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 1pt7_1_B DATA FIRST_RESID 2 DATA SEQUENCE STPLQGIKVL DFTGVQSGPS CTQMLAWFGA DVIKIERPGV GDVTRHQLRD DATA SEQUENCE IPDIDALYFT MLNSNKRSIE LNTKTAEGKE VMEKLIREAD ILVENFHPGA DATA SEQUENCE IDHMGFTWEH IQEINPRLIF GSIKGFDECS PYVNVKAYEN VAQAAGGAAS DATA SEQUENCE TTGFWDGPPL VSAAALGDSN TGMHLLIGLL AALLHREKTG RGQRVTMSMQ DATA SEQUENCE DAVLNLCRVK LRDQQRLDKL GYLEEYPQYP NGTFGDAVPR GGNAGGGGQP DATA SEQUENCE GWILKCKGWE TDPNAYIYFT IQEQNWENTC KAIGKPEWIT DPAYSTAHAR DATA SEQUENCE QPHIFDIFAE IEKYTVTIDK HEAVAYLTQF DIPCAPVLSM KEISLDPSLR DATA SEQUENCE QSGSVVEVEQ PLRGKYLTVG CPMKFSAFTP DIKAAPLLGE HTAAVLQELG DATA SEQUENCE YSDDEIAAMK QNHAI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.551 174.600 -0.081 0.000 1.055 2 S CA 0.000 58.184 58.200 -0.028 0.000 1.107 2 S CB 0.000 63.173 63.200 -0.046 0.000 0.593 3 T N -1.165 113.265 114.554 -0.207 0.000 2.907 3 T HA 0.764 5.114 4.350 -0.000 0.000 0.292 3 T C -2.477 171.907 174.700 -0.527 0.000 1.043 3 T CA -1.996 59.782 62.100 -0.536 0.000 1.003 3 T CB 1.363 70.017 68.868 -0.356 0.000 1.084 3 T HN 0.280 nan 8.240 nan 0.000 0.483 4 P HA 0.056 nan 4.420 nan 0.000 0.216 4 P C 0.768 177.896 177.300 -0.286 0.000 1.150 4 P CA 1.005 63.788 63.100 -0.528 0.000 0.843 4 P CB 0.080 31.332 31.700 -0.747 0.000 0.787 5 L N -1.750 119.346 121.223 -0.213 0.000 3.110 5 L HA 0.239 4.579 4.340 -0.000 0.000 0.266 5 L C 0.648 177.477 176.870 -0.069 0.000 1.257 5 L CA -0.466 54.322 54.840 -0.085 0.000 1.038 5 L CB -0.192 41.871 42.059 0.006 0.000 1.395 5 L HN -0.050 nan 8.230 nan 0.000 0.566 6 Q N 0.669 120.410 119.800 -0.098 0.000 2.283 6 Q HA 0.130 4.470 4.340 -0.000 0.000 0.301 6 Q C 1.352 177.327 176.000 -0.042 0.000 1.063 6 Q CA 1.510 57.276 55.803 -0.063 0.000 0.952 6 Q CB 0.458 29.155 28.738 -0.069 0.000 1.166 6 Q HN 0.479 nan 8.270 nan 0.000 0.381 7 G N 3.399 112.183 108.800 -0.027 0.000 2.225 7 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.254 7 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.254 7 G C 0.094 174.983 174.900 -0.018 0.000 0.988 7 G CA -0.059 45.029 45.100 -0.020 0.000 0.625 7 G HN 0.562 nan 8.290 nan 0.000 0.527 8 I N 1.103 121.660 120.570 -0.020 0.000 2.529 8 I HA 0.353 4.523 4.170 -0.000 0.000 0.284 8 I C 0.545 176.649 176.117 -0.022 0.000 1.082 8 I CA 0.175 61.465 61.300 -0.016 0.000 1.406 8 I CB 1.140 39.132 38.000 -0.012 0.000 1.405 8 I HN 0.095 nan 8.210 nan 0.000 0.548 9 K N 4.892 125.278 120.400 -0.022 0.000 2.376 9 K HA 0.604 4.924 4.320 -0.000 0.000 0.257 9 K C -1.173 175.402 176.600 -0.041 0.000 0.939 9 K CA -0.576 55.691 56.287 -0.033 0.000 0.809 9 K CB 2.504 34.988 32.500 -0.026 0.000 1.121 9 K HN 0.263 nan 8.250 nan 0.000 0.425 10 V N 4.652 124.528 119.914 -0.063 0.000 2.448 10 V HA 0.365 4.485 4.120 -0.000 0.000 0.295 10 V C -0.415 175.614 176.094 -0.108 0.000 1.025 10 V CA -0.903 61.349 62.300 -0.080 0.000 0.859 10 V CB 1.404 33.169 31.823 -0.096 0.000 0.988 10 V HN 0.620 nan 8.190 nan 0.000 0.431 11 L N 4.268 125.426 121.223 -0.108 0.000 2.262 11 L HA 0.535 4.875 4.340 -0.000 0.000 0.288 11 L C -0.665 176.089 176.870 -0.193 0.000 1.035 11 L CA -0.212 54.530 54.840 -0.163 0.000 0.820 11 L CB 1.277 43.276 42.059 -0.099 0.000 1.204 11 L HN 0.612 nan 8.230 nan 0.000 0.424 12 D N 2.687 122.909 120.400 -0.295 0.000 2.462 12 D HA 0.249 4.889 4.640 -0.000 0.000 0.245 12 D C 0.042 176.152 176.300 -0.316 0.000 1.122 12 D CA -0.355 53.504 54.000 -0.236 0.000 0.864 12 D CB 0.940 41.618 40.800 -0.203 0.000 1.098 12 D HN 0.227 nan 8.370 nan 0.000 0.541 13 F N 1.088 120.917 119.950 -0.201 0.000 2.765 13 F HA 0.084 4.610 4.527 -0.001 0.000 0.302 13 F C 1.527 177.091 175.800 -0.393 0.000 1.111 13 F CA -0.128 57.735 58.000 -0.229 0.000 1.359 13 F CB 0.149 39.013 39.000 -0.225 0.000 1.097 13 F HN 0.221 nan 8.300 nan 0.000 0.577 14 T N -1.437 112.996 114.554 -0.202 0.000 2.898 14 T HA 0.615 4.965 4.350 -0.000 0.000 0.301 14 T C 0.434 175.013 174.700 -0.201 0.000 1.049 14 T CA -0.208 61.728 62.100 -0.273 0.000 1.095 14 T CB 1.670 70.398 68.868 -0.233 0.000 0.976 14 T HN 0.165 nan 8.240 nan 0.000 0.539 15 G N 0.011 108.689 108.800 -0.204 0.000 2.798 15 G HA2 0.659 4.619 3.960 -0.000 0.000 0.286 15 G HA3 0.659 4.619 3.960 -0.000 0.000 0.286 15 G C -0.161 174.642 174.900 -0.161 0.000 1.389 15 G CA -0.477 44.539 45.100 -0.141 0.000 0.894 15 G HN 1.360 nan 8.290 nan 0.000 0.488 16 V N -1.275 118.532 119.914 -0.177 0.000 0.689 16 V HA -0.356 3.764 4.120 -0.000 0.000 0.092 16 V C 1.686 177.688 176.094 -0.153 0.000 0.799 16 V CA 2.212 64.390 62.300 -0.203 0.000 3.102 16 V CB -1.670 30.083 31.823 -0.117 0.000 0.201 16 V HN 0.998 nan 8.190 nan 0.000 0.113 17 Q N -0.845 118.910 119.800 -0.076 0.000 2.580 17 Q HA 0.053 4.393 4.340 -0.000 0.000 0.239 17 Q C 2.182 178.135 176.000 -0.078 0.000 0.873 17 Q CA 0.997 56.779 55.803 -0.034 0.000 0.951 17 Q CB 0.538 29.318 28.738 0.069 0.000 1.172 17 Q HN 0.998 nan 8.270 nan 0.000 0.616 18 S N -0.096 115.551 115.700 -0.088 0.000 2.343 18 S HA -0.086 4.384 4.470 -0.000 0.000 0.219 18 S C 1.938 176.464 174.600 -0.124 0.000 1.033 18 S CA 1.326 59.468 58.200 -0.097 0.000 1.014 18 S CB -1.058 62.078 63.200 -0.106 0.000 0.915 18 S HN 0.487 nan 8.310 nan 0.000 0.435 19 G N 2.753 111.462 108.800 -0.151 0.000 2.404 19 G HA2 -0.010 3.949 3.960 -0.000 0.000 0.215 19 G HA3 -0.010 3.949 3.960 -0.000 0.000 0.215 19 G C -0.676 174.113 174.900 -0.186 0.000 1.174 19 G CA 0.839 45.836 45.100 -0.172 0.000 0.780 19 G HN 0.524 nan 8.290 nan 0.000 0.537 20 P HA -0.094 nan 4.420 nan 0.000 0.218 20 P C 2.400 179.547 177.300 -0.255 0.000 1.149 20 P CA 2.015 64.976 63.100 -0.230 0.000 0.817 20 P CB -0.106 31.455 31.700 -0.231 0.000 0.785 21 S N -1.373 114.203 115.700 -0.208 0.000 2.368 21 S HA -0.254 4.216 4.470 -0.000 0.000 0.225 21 S C 2.208 176.654 174.600 -0.257 0.000 1.030 21 S CA 1.441 59.511 58.200 -0.218 0.000 0.999 21 S CB -1.855 61.267 63.200 -0.130 0.000 0.844 21 S HN 0.265 nan 8.310 nan 0.000 0.459 22 C N 2.825 122.002 119.300 -0.207 0.000 2.436 22 C HA -0.076 4.384 4.460 -0.000 0.000 0.277 22 C C 3.290 178.124 174.990 -0.260 0.000 1.241 22 C CA 1.940 60.839 59.018 -0.198 0.000 1.721 22 C CB -1.809 25.844 27.740 -0.144 0.000 2.043 22 C HN 0.834 nan 8.230 nan 0.000 0.472 23 T N -1.454 112.942 114.554 -0.264 0.000 2.951 23 T HA -0.180 4.170 4.350 -0.000 0.000 0.268 23 T C 1.875 176.346 174.700 -0.381 0.000 1.073 23 T CA 1.681 63.614 62.100 -0.278 0.000 1.134 23 T CB -0.682 68.046 68.868 -0.234 0.000 0.884 23 T HN 0.804 nan 8.240 nan 0.000 0.479 24 Q N 0.065 119.571 119.800 -0.489 0.000 2.096 24 Q HA -0.120 4.220 4.340 -0.000 0.000 0.204 24 Q C 2.304 177.685 176.000 -1.031 0.000 0.982 24 Q CA 1.503 56.837 55.803 -0.782 0.000 0.850 24 Q CB -0.238 27.989 28.738 -0.851 0.000 0.901 24 Q HN 0.407 nan 8.270 nan 0.000 0.422 25 M N 0.083 119.208 119.600 -0.793 0.000 2.159 25 M HA -0.142 4.338 4.480 -0.000 0.000 0.263 25 M C 2.216 178.051 176.300 -0.774 0.000 1.063 25 M CA 1.172 56.018 55.300 -0.756 0.000 1.110 25 M CB -0.718 31.531 32.600 -0.584 0.000 1.374 25 M HN 0.324 nan 8.290 nan 0.000 0.411 26 L N -0.200 120.728 121.223 -0.491 0.000 2.042 26 L HA -0.193 4.146 4.340 -0.000 0.000 0.210 26 L C 2.780 179.549 176.870 -0.168 0.000 1.076 26 L CA 1.309 55.990 54.840 -0.266 0.000 0.749 26 L CB -0.973 40.988 42.059 -0.164 0.000 0.893 26 L HN 0.267 nan 8.230 nan 0.000 0.432 27 A N -0.579 122.103 122.820 -0.229 0.000 1.877 27 A HA -0.211 4.108 4.320 -0.000 0.000 0.216 27 A C 1.927 179.571 177.584 0.099 0.000 1.186 27 A CA 1.347 53.322 52.037 -0.103 0.000 0.620 27 A CB -0.853 18.038 19.000 -0.183 0.000 0.822 27 A HN 0.500 nan 8.150 nan 0.000 0.443 28 W N -0.629 120.632 121.300 -0.066 0.000 2.392 28 W HA -0.026 4.633 4.660 -0.001 0.000 0.279 28 W C 1.748 178.461 176.519 0.323 0.000 1.225 28 W CA 0.084 57.465 57.345 0.059 0.000 1.233 28 W CB -1.277 28.181 29.460 -0.003 0.000 1.122 28 W HN 0.446 nan 8.180 nan 0.000 0.561 29 F N -0.368 119.743 119.950 0.268 0.000 2.811 29 F HA 0.227 4.754 4.527 -0.000 0.000 0.301 29 F C 1.971 177.689 175.800 -0.138 0.000 1.151 29 F CA 0.520 58.530 58.000 0.017 0.000 1.412 29 F CB -0.115 38.852 39.000 -0.055 0.000 1.113 29 F HN 0.089 nan 8.300 nan 0.000 0.579 30 G N 0.446 109.349 108.800 0.170 0.000 2.192 30 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.193 30 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.193 30 G C 0.134 175.052 174.900 0.030 0.000 0.999 30 G CA -0.296 44.844 45.100 0.068 0.000 0.659 30 G HN 0.462 nan 8.290 nan 0.000 0.503 31 A N 0.182 123.019 122.820 0.028 0.000 2.386 31 A HA 0.552 4.872 4.320 -0.000 0.000 0.248 31 A C 0.174 177.744 177.584 -0.025 0.000 1.082 31 A CA 0.624 52.656 52.037 -0.008 0.000 0.789 31 A CB 0.462 19.448 19.000 -0.023 0.000 1.025 31 A HN 0.525 nan 8.150 nan 0.000 0.490 32 D N 1.540 121.918 120.400 -0.036 0.000 2.365 32 D HA 0.360 5.000 4.640 -0.000 0.000 0.237 32 D C -0.759 175.494 176.300 -0.079 0.000 1.190 32 D CA 0.085 54.053 54.000 -0.054 0.000 0.867 32 D CB 0.465 41.238 40.800 -0.045 0.000 1.050 32 D HN 0.110 nan 8.370 nan 0.000 0.491 33 V N 6.163 126.015 119.914 -0.104 0.000 2.333 33 V HA 0.269 4.388 4.120 -0.000 0.000 0.274 33 V C 0.595 176.602 176.094 -0.144 0.000 1.028 33 V CA -0.683 61.539 62.300 -0.131 0.000 0.851 33 V CB 0.882 32.611 31.823 -0.156 0.000 1.000 33 V HN 0.495 nan 8.190 nan 0.000 0.456 34 I N 5.403 125.888 120.570 -0.142 0.000 2.291 34 I HA 0.307 4.477 4.170 -0.000 0.000 0.290 34 I C 0.490 176.498 176.117 -0.182 0.000 1.050 34 I CA -0.148 61.065 61.300 -0.146 0.000 1.245 34 I CB 0.690 38.612 38.000 -0.129 0.000 1.405 34 I HN 0.519 nan 8.210 nan 0.000 0.478 35 K N 7.618 127.928 120.400 -0.150 0.000 2.276 35 K HA 0.471 4.790 4.320 -0.000 0.000 0.285 35 K C -0.730 175.780 176.600 -0.149 0.000 1.062 35 K CA -0.459 55.737 56.287 -0.151 0.000 0.918 35 K CB 0.764 33.216 32.500 -0.081 0.000 1.055 35 K HN 0.528 nan 8.250 nan 0.000 0.477 36 I N 4.551 124.971 120.570 -0.250 0.000 2.321 36 I HA 0.178 4.347 4.170 -0.000 0.000 0.291 36 I C -0.163 175.912 176.117 -0.071 0.000 0.998 36 I CA -0.220 60.936 61.300 -0.240 0.000 1.227 36 I CB 1.317 38.963 38.000 -0.590 0.000 1.368 36 I HN 0.582 nan 8.210 nan 0.000 0.466 37 E N 5.409 125.605 120.200 -0.006 0.000 2.312 37 E HA 0.432 4.782 4.350 -0.000 0.000 0.267 37 E C -0.808 175.830 176.600 0.062 0.000 0.894 37 E CA -1.182 55.245 56.400 0.044 0.000 0.773 37 E CB 2.509 32.225 29.700 0.027 0.000 1.241 37 E HN 0.402 nan 8.360 nan 0.000 0.432 38 R N 2.429 122.979 120.500 0.084 0.000 2.401 38 R HA 0.173 4.512 4.340 -0.000 0.000 0.299 38 R C -2.350 173.981 176.300 0.051 0.000 1.064 38 R CA -1.442 54.706 56.100 0.081 0.000 1.000 38 R CB 0.244 30.598 30.300 0.089 0.000 0.973 38 R HN 0.138 nan 8.270 nan 0.000 0.438 39 P HA -0.031 nan 4.420 nan 0.000 0.262 39 P C 0.196 177.513 177.300 0.029 0.000 1.182 39 P CA 1.196 64.320 63.100 0.039 0.000 0.761 39 P CB 0.728 32.462 31.700 0.057 0.000 0.795 40 G N 1.462 110.273 108.800 0.018 0.000 2.189 40 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.267 40 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.267 40 G C 0.565 175.464 174.900 -0.001 0.000 0.975 40 G CA 0.429 45.533 45.100 0.006 0.000 0.644 40 G HN 0.592 nan 8.290 nan 0.000 0.537 41 V N -1.250 118.670 119.914 0.010 0.000 3.279 41 V HA 0.679 4.799 4.120 -0.000 0.000 0.213 41 V C 1.578 177.691 176.094 0.031 0.000 1.335 41 V CA 2.258 64.572 62.300 0.023 0.000 1.317 41 V CB 0.448 32.294 31.823 0.038 0.000 1.209 41 V HN 2.441 nan 8.190 nan 0.000 0.525 42 G N 1.286 110.101 108.800 0.024 0.000 2.828 42 G HA2 -0.191 3.768 3.960 -0.000 0.000 0.463 42 G HA3 -0.191 3.768 3.960 -0.000 0.000 0.463 42 G C -0.633 174.273 174.900 0.009 0.000 1.394 42 G CA 0.153 45.249 45.100 -0.006 0.000 0.862 42 G HN 0.890 nan 8.290 nan 0.000 0.540 43 D N -0.066 120.330 120.400 -0.007 0.000 2.533 43 D HA 0.180 4.820 4.640 -0.000 0.000 0.236 43 D C 2.148 178.402 176.300 -0.076 0.000 1.137 43 D CA 0.585 54.590 54.000 0.008 0.000 0.867 43 D CB 1.274 42.150 40.800 0.126 0.000 1.170 43 D HN 1.300 nan 8.370 nan 0.000 0.474 44 V N 2.143 121.992 119.914 -0.108 0.000 2.546 44 V HA -0.265 3.855 4.120 -0.000 0.000 0.254 44 V C 2.055 177.816 176.094 -0.555 0.000 1.076 44 V CA 2.348 64.465 62.300 -0.305 0.000 1.087 44 V CB -1.741 29.982 31.823 -0.166 0.000 0.674 44 V HN 0.731 nan 8.190 nan 0.000 0.470 45 T N -1.522 112.799 114.554 -0.388 0.000 3.007 45 T HA -0.137 4.213 4.350 -0.000 0.000 0.270 45 T C 1.913 176.500 174.700 -0.188 0.000 1.107 45 T CA 1.322 63.140 62.100 -0.469 0.000 1.118 45 T CB -0.632 67.848 68.868 -0.648 0.000 0.889 45 T HN 0.566 nan 8.240 nan 0.000 0.506 46 R N 1.034 121.408 120.500 -0.210 0.000 2.127 46 R HA -0.097 4.243 4.340 -0.000 0.000 0.238 46 R C 2.341 178.585 176.300 -0.093 0.000 1.134 46 R CA 1.730 57.676 56.100 -0.257 0.000 0.975 46 R CB -0.451 29.587 30.300 -0.437 0.000 0.865 46 R HN 0.824 nan 8.270 nan 0.000 0.447 47 H N -1.561 117.483 119.070 -0.043 0.000 2.784 47 H HA 0.267 4.823 4.556 -0.000 0.000 0.273 47 H C -0.294 175.059 175.328 0.041 0.000 1.112 47 H CA -0.408 55.635 56.048 -0.009 0.000 1.162 47 H CB 0.529 30.277 29.762 -0.024 0.000 1.586 47 H HN 0.076 nan 8.280 nan 0.000 0.548 48 Q N 1.588 121.359 119.800 -0.049 0.000 2.256 48 Q HA 0.368 4.708 4.340 -0.000 0.000 0.257 48 Q C 0.274 176.385 176.000 0.185 0.000 0.936 48 Q CA -0.768 55.104 55.803 0.114 0.000 0.903 48 Q CB 2.492 31.303 28.738 0.123 0.000 1.263 48 Q HN 0.332 nan 8.270 nan 0.000 0.440 49 L N 0.850 122.155 121.223 0.136 0.000 3.717 49 L HA -0.291 4.049 4.340 -0.000 0.000 0.414 49 L C -0.121 176.793 176.870 0.074 0.000 1.228 49 L CA 0.269 55.159 54.840 0.083 0.000 0.918 49 L CB -1.558 40.522 42.059 0.035 0.000 1.865 49 L HN 0.657 nan 8.230 nan 0.000 0.922 50 R N 1.546 122.093 120.500 0.079 0.000 2.570 50 R HA 0.003 4.343 4.340 -0.000 0.000 0.277 50 R C 1.367 177.692 176.300 0.042 0.000 1.039 50 R CA 0.543 56.679 56.100 0.060 0.000 1.065 50 R CB 0.489 30.824 30.300 0.058 0.000 0.964 50 R HN 0.295 nan 8.270 nan 0.000 0.428 51 D N 2.955 123.375 120.400 0.034 0.000 2.338 51 D HA -0.015 4.625 4.640 -0.000 0.000 0.208 51 D C 0.510 176.825 176.300 0.025 0.000 0.997 51 D CA 0.643 54.660 54.000 0.027 0.000 0.880 51 D CB 0.415 41.231 40.800 0.027 0.000 0.980 51 D HN 0.301 nan 8.370 nan 0.000 0.509 52 I N 1.660 122.245 120.570 0.024 0.000 2.418 52 I HA 0.273 4.443 4.170 -0.000 0.000 0.287 52 I C -2.493 173.635 176.117 0.019 0.000 1.008 52 I CA -2.425 58.887 61.300 0.020 0.000 1.104 52 I CB 2.275 40.287 38.000 0.020 0.000 1.264 52 I HN -0.348 nan 8.210 nan 0.000 0.438 53 P HA 0.057 nan 4.420 nan 0.000 0.266 53 P C -0.307 176.999 177.300 0.010 0.000 1.195 53 P CA 0.359 63.467 63.100 0.015 0.000 0.768 53 P CB 0.331 32.038 31.700 0.011 0.000 0.838 54 D N -0.818 119.588 120.400 0.009 0.000 3.046 54 D HA -0.173 4.467 4.640 -0.000 0.000 0.210 54 D C 0.414 176.712 176.300 -0.004 0.000 1.124 54 D CA 1.217 55.218 54.000 0.002 0.000 0.986 54 D CB -1.355 39.445 40.800 -0.001 0.000 1.118 54 D HN 0.482 nan 8.370 nan 0.000 0.416 55 I N -3.267 117.302 120.570 -0.002 0.000 3.108 55 I HA 0.460 4.630 4.170 -0.000 0.000 0.312 55 I C -0.097 176.008 176.117 -0.019 0.000 1.095 55 I CA -0.987 60.306 61.300 -0.013 0.000 1.000 55 I CB 1.666 39.663 38.000 -0.006 0.000 1.229 55 I HN -0.399 nan 8.210 nan 0.000 0.454 56 D N 2.997 123.369 120.400 -0.045 0.000 2.533 56 D HA 0.212 4.852 4.640 -0.000 0.000 0.236 56 D C 0.320 176.622 176.300 0.003 0.000 1.137 56 D CA 0.493 54.458 54.000 -0.059 0.000 0.867 56 D CB 1.300 42.050 40.800 -0.083 0.000 1.170 56 D HN 0.752 nan 8.370 nan 0.000 0.474 57 A N 2.835 125.679 122.820 0.040 0.000 2.406 57 A HA 0.118 4.437 4.320 -0.000 0.000 0.243 57 A C 1.581 179.216 177.584 0.084 0.000 1.082 57 A CA -0.362 51.719 52.037 0.074 0.000 0.786 57 A CB 0.269 19.342 19.000 0.121 0.000 1.029 57 A HN 0.688 nan 8.150 nan 0.000 0.495 58 L N 0.486 121.737 121.223 0.048 0.000 2.191 58 L HA -0.209 4.130 4.340 -0.000 0.000 0.212 58 L C 2.180 179.122 176.870 0.120 0.000 1.103 58 L CA 1.569 56.418 54.840 0.014 0.000 0.769 58 L CB -0.639 41.435 42.059 0.026 0.000 0.908 58 L HN 0.948 nan 8.230 nan 0.000 0.438 59 Y N -0.294 120.015 120.300 0.014 0.000 2.151 59 Y HA -0.394 4.155 4.550 -0.001 0.000 0.284 59 Y C 2.557 178.469 175.900 0.019 0.000 1.166 59 Y CA 1.499 59.609 58.100 0.017 0.000 1.163 59 Y CB -0.028 38.444 38.460 0.020 0.000 0.974 59 Y HN 0.160 nan 8.280 nan 0.000 0.511 60 F N 0.790 120.764 119.950 0.041 0.000 2.118 60 F HA -0.167 4.360 4.527 -0.000 0.000 0.293 60 F C 2.724 178.491 175.800 -0.055 0.000 1.102 60 F CA 1.943 59.901 58.000 -0.070 0.000 1.247 60 F CB -0.764 38.175 39.000 -0.101 0.000 1.017 60 F HN 0.013 nan 8.300 nan 0.000 0.475 61 T N -1.645 112.893 114.554 -0.027 0.000 2.995 61 T HA -0.158 4.192 4.350 -0.000 0.000 0.269 61 T C 1.805 176.467 174.700 -0.064 0.000 1.091 61 T CA 1.341 63.325 62.100 -0.192 0.000 1.128 61 T CB -0.543 67.987 68.868 -0.562 0.000 0.891 61 T HN 0.363 nan 8.240 nan 0.000 0.492 62 M N -0.023 119.590 119.600 0.022 0.000 2.595 62 M HA 0.353 4.833 4.480 -0.000 0.000 0.248 62 M C 1.323 177.657 176.300 0.056 0.000 1.119 62 M CA 0.768 56.182 55.300 0.190 0.000 1.079 62 M CB 0.012 32.721 32.600 0.181 0.000 1.472 62 M HN 0.230 nan 8.290 nan 0.000 0.501 63 L N -1.228 119.921 121.223 -0.123 0.000 2.966 63 L HA 0.182 4.522 4.340 -0.000 0.000 0.262 63 L C 0.040 176.681 176.870 -0.382 0.000 1.165 63 L CA 0.207 54.913 54.840 -0.223 0.000 0.978 63 L CB 0.363 42.305 42.059 -0.194 0.000 1.337 63 L HN 0.228 nan 8.230 nan 0.000 0.563 64 N N -1.723 116.710 118.700 -0.445 0.000 2.232 64 N HA 0.108 4.848 4.740 -0.000 0.000 0.240 64 N C -0.181 175.181 175.510 -0.246 0.000 1.307 64 N CA -0.117 52.627 53.050 -0.509 0.000 0.859 64 N CB 1.017 38.858 38.487 -1.075 0.000 1.260 64 N HN -0.120 nan 8.380 nan 0.000 0.501 65 S N 1.246 116.899 115.700 -0.077 0.000 2.558 65 S HA 0.026 4.496 4.470 -0.000 0.000 0.288 65 S C 0.948 175.592 174.600 0.074 0.000 1.318 65 S CA 0.080 58.362 58.200 0.137 0.000 1.056 65 S CB 0.171 63.629 63.200 0.430 0.000 0.853 65 S HN 0.453 nan 8.310 nan 0.000 0.505 66 N N -0.377 118.402 118.700 0.131 0.000 2.936 66 N HA -0.159 4.580 4.740 -0.000 0.000 0.236 66 N C -0.591 174.901 175.510 -0.030 0.000 0.930 66 N CA 1.070 54.176 53.050 0.093 0.000 0.966 66 N CB -0.659 37.953 38.487 0.210 0.000 1.090 66 N HN 0.554 nan 8.380 nan 0.000 0.592 67 K N 1.209 121.564 120.400 -0.075 0.000 2.098 67 K HA 0.407 4.726 4.320 -0.000 0.000 0.257 67 K C 0.353 176.838 176.600 -0.192 0.000 0.999 67 K CA -0.270 55.937 56.287 -0.132 0.000 0.924 67 K CB 1.101 33.521 32.500 -0.134 0.000 1.028 67 K HN 0.039 nan 8.250 nan 0.000 0.466 68 R N 0.663 120.997 120.500 -0.278 0.000 2.460 68 R HA 0.195 4.535 4.340 -0.000 0.000 0.303 68 R C -0.543 175.706 176.300 -0.086 0.000 0.968 68 R CA -0.489 55.297 56.100 -0.523 0.000 0.889 68 R CB 1.872 31.852 30.300 -0.534 0.000 1.123 68 R HN 0.466 nan 8.270 nan 0.000 0.455 69 S N 3.659 119.493 115.700 0.223 0.000 2.442 69 S HA 0.409 4.879 4.470 -0.000 0.000 0.297 69 S C -0.318 174.354 174.600 0.120 0.000 1.131 69 S CA -0.739 57.556 58.200 0.158 0.000 1.092 69 S CB 0.476 63.782 63.200 0.177 0.000 0.998 69 S HN 0.553 nan 8.310 nan 0.000 0.478 70 I N 3.973 124.564 120.570 0.034 0.000 2.433 70 I HA 0.478 4.648 4.170 -0.000 0.000 0.292 70 I C -0.505 175.609 176.117 -0.005 0.000 1.001 70 I CA -0.621 60.685 61.300 0.010 0.000 1.119 70 I CB 1.458 39.449 38.000 -0.015 0.000 1.289 70 I HN 0.644 nan 8.210 nan 0.000 0.438 71 E N 7.016 127.215 120.200 -0.001 0.000 2.229 71 E HA 0.444 4.794 4.350 -0.000 0.000 0.283 71 E C -1.336 175.266 176.600 0.003 0.000 1.030 71 E CA -0.445 55.958 56.400 0.005 0.000 0.836 71 E CB 1.733 31.437 29.700 0.007 0.000 1.068 71 E HN 0.332 nan 8.360 nan 0.000 0.401 72 L N 3.685 124.921 121.223 0.022 0.000 2.562 72 L HA 0.221 4.560 4.340 -0.000 0.000 0.266 72 L C -1.385 175.528 176.870 0.071 0.000 0.949 72 L CA -0.175 54.683 54.840 0.030 0.000 0.879 72 L CB 1.936 44.005 42.059 0.016 0.000 1.278 72 L HN 0.445 nan 8.230 nan 0.000 0.404 73 N N 1.840 120.582 118.700 0.071 0.000 2.500 73 N HA 0.170 4.910 4.740 -0.000 0.000 0.236 73 N C 0.787 176.358 175.510 0.103 0.000 1.022 73 N CA 0.456 53.558 53.050 0.087 0.000 0.935 73 N CB 0.894 39.426 38.487 0.075 0.000 1.147 73 N HN 0.813 nan 8.380 nan 0.000 0.512 74 T N 0.462 115.099 114.554 0.139 0.000 3.035 74 T HA -0.022 4.328 4.350 -0.000 0.000 0.268 74 T C 1.362 176.145 174.700 0.139 0.000 1.109 74 T CA 0.671 62.873 62.100 0.171 0.000 1.119 74 T CB 0.012 69.030 68.868 0.249 0.000 0.900 74 T HN 0.282 nan 8.240 nan 0.000 0.503 75 K N 2.470 122.929 120.400 0.099 0.000 2.442 75 K HA 0.085 4.404 4.320 -0.000 0.000 0.198 75 K C 1.356 177.997 176.600 0.068 0.000 1.042 75 K CA 0.484 56.815 56.287 0.074 0.000 0.958 75 K CB -0.876 31.655 32.500 0.052 0.000 0.766 75 K HN 0.786 nan 8.250 nan 0.000 0.474 76 T N -3.354 111.244 114.554 0.074 0.000 2.902 76 T HA 0.550 4.900 4.350 -0.000 0.000 0.280 76 T C 1.374 176.118 174.700 0.073 0.000 0.992 76 T CA -0.306 61.834 62.100 0.065 0.000 1.015 76 T CB 1.837 70.742 68.868 0.062 0.000 1.044 76 T HN -0.019 nan 8.240 nan 0.000 0.520 77 A N 0.581 123.439 122.820 0.063 0.000 1.930 77 A HA 0.002 4.322 4.320 -0.000 0.000 0.217 77 A C 2.199 179.833 177.584 0.083 0.000 1.175 77 A CA 1.220 53.298 52.037 0.069 0.000 0.627 77 A CB -0.855 18.177 19.000 0.054 0.000 0.815 77 A HN 0.965 nan 8.150 nan 0.000 0.443 78 E N -0.650 119.591 120.200 0.068 0.000 2.107 78 E HA -0.067 4.283 4.350 -0.000 0.000 0.191 78 E C 2.074 178.711 176.600 0.062 0.000 0.982 78 E CA 0.655 57.092 56.400 0.063 0.000 0.809 78 E CB -0.284 29.432 29.700 0.025 0.000 0.756 78 E HN 0.601 nan 8.360 nan 0.000 0.459 79 G N 1.636 110.476 108.800 0.067 0.000 2.421 79 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.217 79 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.217 79 G C 1.498 176.483 174.900 0.142 0.000 1.143 79 G CA 0.526 45.673 45.100 0.079 0.000 0.784 79 G HN 0.092 nan 8.290 nan 0.000 0.541 80 K N 0.606 121.111 120.400 0.175 0.000 2.097 80 K HA -0.074 4.246 4.320 -0.000 0.000 0.205 80 K C 2.283 179.060 176.600 0.295 0.000 1.050 80 K CA 1.459 57.911 56.287 0.274 0.000 0.938 80 K CB -0.171 32.459 32.500 0.217 0.000 0.718 80 K HN 0.443 nan 8.250 nan 0.000 0.442 81 E N 0.253 120.580 120.200 0.211 0.000 2.152 81 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 81 E C 1.796 178.525 176.600 0.215 0.000 0.983 81 E CA 0.825 57.354 56.400 0.215 0.000 0.818 81 E CB 0.181 29.993 29.700 0.187 0.000 0.758 81 E HN 0.121 nan 8.360 nan 0.000 0.467 82 V N 1.640 121.657 119.914 0.173 0.000 2.343 82 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 82 V C 2.558 178.717 176.094 0.108 0.000 1.051 82 V CA 2.072 64.459 62.300 0.144 0.000 1.036 82 V CB -0.498 31.334 31.823 0.015 0.000 0.654 82 V HN 0.440 nan 8.190 nan 0.000 0.451 83 M N -0.045 119.618 119.600 0.104 0.000 2.117 83 M HA -0.234 4.245 4.480 -0.000 0.000 0.262 83 M C 2.252 178.483 176.300 -0.116 0.000 1.065 83 M CA 2.365 57.678 55.300 0.023 0.000 1.114 83 M CB -0.183 32.461 32.600 0.074 0.000 1.361 83 M HN 0.456 nan 8.290 nan 0.000 0.408 84 E N 0.355 120.564 120.200 0.014 0.000 2.085 84 E HA -0.234 4.115 4.350 -0.000 0.000 0.194 84 E C 1.782 178.393 176.600 0.017 0.000 0.994 84 E CA 1.649 58.062 56.400 0.021 0.000 0.801 84 E CB 0.028 29.915 29.700 0.313 0.000 0.743 84 E HN 0.521 nan 8.360 nan 0.000 0.453 85 K N 0.065 120.505 120.400 0.068 0.000 2.097 85 K HA -0.095 4.225 4.320 -0.000 0.000 0.205 85 K C 2.263 178.878 176.600 0.025 0.000 1.050 85 K CA 1.111 57.433 56.287 0.059 0.000 0.938 85 K CB -0.096 32.467 32.500 0.105 0.000 0.718 85 K HN 0.217 nan 8.250 nan 0.000 0.442 86 L N 0.838 122.068 121.223 0.010 0.000 2.017 86 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 86 L C 2.344 179.193 176.870 -0.035 0.000 1.073 86 L CA 1.186 56.016 54.840 -0.017 0.000 0.745 86 L CB -0.408 41.629 42.059 -0.035 0.000 0.894 86 L HN 0.159 nan 8.230 nan 0.000 0.432 87 I N -0.585 119.943 120.570 -0.070 0.000 2.208 87 I HA -0.324 3.846 4.170 -0.000 0.000 0.245 87 I C 2.758 178.859 176.117 -0.028 0.000 1.097 87 I CA 1.312 62.571 61.300 -0.069 0.000 1.363 87 I CB -0.293 37.602 38.000 -0.174 0.000 1.051 87 I HN 0.192 nan 8.210 nan 0.000 0.413 88 R N 0.654 121.141 120.500 -0.022 0.000 2.120 88 R HA -0.206 4.134 4.340 -0.000 0.000 0.234 88 R C 2.075 178.375 176.300 -0.000 0.000 1.123 88 R CA 1.759 57.856 56.100 -0.004 0.000 0.975 88 R CB -0.214 30.088 30.300 0.005 0.000 0.866 88 R HN 0.597 nan 8.270 nan 0.000 0.446 89 E N -0.008 120.191 120.200 -0.002 0.000 2.400 89 E HA 0.116 4.466 4.350 -0.000 0.000 0.195 89 E C 0.063 176.661 176.600 -0.003 0.000 1.012 89 E CA 0.080 56.480 56.400 -0.001 0.000 0.875 89 E CB 0.301 30.000 29.700 -0.001 0.000 0.859 89 E HN 0.127 nan 8.360 nan 0.000 0.498 90 A N 1.310 124.128 122.820 -0.003 0.000 2.322 90 A HA 0.121 4.441 4.320 -0.000 0.000 0.269 90 A C 0.327 177.918 177.584 0.012 0.000 1.094 90 A CA -0.313 51.722 52.037 -0.003 0.000 0.807 90 A CB 0.627 19.623 19.000 -0.007 0.000 1.047 90 A HN 0.171 nan 8.150 nan 0.000 0.487 91 D N 0.317 120.723 120.400 0.009 0.000 2.240 91 D HA 0.140 4.780 4.640 -0.000 0.000 0.206 91 D C 0.062 176.385 176.300 0.038 0.000 0.963 91 D CA 1.361 55.376 54.000 0.024 0.000 0.863 91 D CB 0.277 41.085 40.800 0.013 0.000 0.973 91 D HN 0.508 nan 8.370 nan 0.000 0.501 92 I N 1.046 121.624 120.570 0.014 0.000 2.619 92 I HA 0.293 4.463 4.170 -0.000 0.000 0.292 92 I C -1.036 175.063 176.117 -0.030 0.000 1.100 92 I CA -0.731 60.571 61.300 0.003 0.000 1.043 92 I CB 3.348 41.335 38.000 -0.021 0.000 1.239 92 I HN -0.190 nan 8.210 nan 0.000 0.420 93 L N 6.812 127.995 121.223 -0.066 0.000 2.362 93 L HA 0.770 5.110 4.340 -0.000 0.000 0.275 93 L C -1.455 175.242 176.870 -0.289 0.000 0.998 93 L CA -0.595 54.165 54.840 -0.133 0.000 0.820 93 L CB 1.828 43.814 42.059 -0.121 0.000 1.270 93 L HN 0.353 nan 8.230 nan 0.000 0.415 94 V N 3.436 123.225 119.914 -0.208 0.000 2.604 94 V HA 0.625 4.745 4.120 -0.000 0.000 0.305 94 V C -0.897 175.066 176.094 -0.217 0.000 1.043 94 V CA -0.486 61.665 62.300 -0.250 0.000 0.888 94 V CB 1.906 33.621 31.823 -0.180 0.000 0.995 94 V HN 0.889 nan 8.190 nan 0.000 0.429 95 E N 1.987 122.010 120.200 -0.295 0.000 2.390 95 E HA 0.461 4.811 4.350 -0.000 0.000 0.277 95 E C -0.679 175.751 176.600 -0.283 0.000 0.939 95 E CA -0.905 55.302 56.400 -0.322 0.000 0.769 95 E CB 1.455 30.985 29.700 -0.284 0.000 1.251 95 E HN 0.694 nan 8.360 nan 0.000 0.450 96 N N 1.379 119.835 118.700 -0.405 0.000 2.517 96 N HA 0.261 5.000 4.740 -0.000 0.000 0.285 96 N C -0.992 174.341 175.510 -0.295 0.000 1.528 96 N CA -0.647 52.230 53.050 -0.288 0.000 0.892 96 N CB 0.188 38.526 38.487 -0.248 0.000 1.356 96 N HN 0.188 nan 8.380 nan 0.000 0.495 97 F N 1.027 120.898 119.950 -0.131 0.000 2.373 97 F HA 0.252 4.779 4.527 -0.000 0.000 0.302 97 F C 1.408 177.078 175.800 -0.216 0.000 1.247 97 F CA -0.643 57.259 58.000 -0.163 0.000 1.169 97 F CB 0.322 39.277 39.000 -0.076 0.000 1.309 97 F HN 0.089 nan 8.300 nan 0.000 0.537 98 H N 0.000 119.187 119.070 0.194 0.000 2.679 98 H HA 0.157 4.713 4.556 -0.000 0.000 0.369 98 H C -2.163 173.202 175.328 0.061 0.000 1.178 98 H CA -1.233 54.863 56.048 0.081 0.000 1.419 98 H CB -0.279 29.500 29.762 0.028 0.000 1.458 98 H HN 0.132 nan 8.280 nan 0.000 0.605 99 P HA -0.007 nan 4.420 nan 0.000 0.264 99 P C 0.891 178.237 177.300 0.077 0.000 1.183 99 P CA 1.120 64.290 63.100 0.116 0.000 0.763 99 P CB 0.485 32.249 31.700 0.106 0.000 0.807 100 G N 2.262 111.119 108.800 0.096 0.000 2.176 100 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.253 100 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.253 100 G C 1.174 176.111 174.900 0.062 0.000 0.979 100 G CA 0.535 45.717 45.100 0.136 0.000 0.641 100 G HN 0.697 nan 8.290 nan 0.000 0.530 101 A N 0.444 123.222 122.820 -0.069 0.000 1.908 101 A HA 0.139 4.459 4.320 -0.000 0.000 0.218 101 A C 2.336 179.877 177.584 -0.071 0.000 1.181 101 A CA 1.980 53.881 52.037 -0.226 0.000 0.627 101 A CB -0.311 18.458 19.000 -0.384 0.000 0.818 101 A HN 0.617 nan 8.150 nan 0.000 0.445 102 I N 0.207 120.820 120.570 0.073 0.000 2.353 102 I HA -0.154 4.016 4.170 -0.000 0.000 0.248 102 I C 1.641 177.890 176.117 0.220 0.000 1.119 102 I CA 1.338 62.725 61.300 0.145 0.000 1.417 102 I CB -1.478 36.696 38.000 0.290 0.000 1.078 102 I HN 0.255 nan 8.210 nan 0.000 0.421 103 D N 0.466 120.999 120.400 0.221 0.000 2.097 103 D HA -0.194 4.446 4.640 -0.000 0.000 0.195 103 D C 2.118 178.516 176.300 0.162 0.000 0.989 103 D CA 1.476 55.593 54.000 0.194 0.000 0.827 103 D CB -0.420 40.485 40.800 0.176 0.000 0.966 103 D HN 0.364 nan 8.370 nan 0.000 0.456 104 H N -0.181 118.902 119.070 0.021 0.000 2.422 104 H HA 0.031 4.587 4.556 -0.000 0.000 0.298 104 H C 2.032 177.359 175.328 -0.001 0.000 1.098 104 H CA 0.846 56.891 56.048 -0.006 0.000 1.315 104 H CB -0.262 29.483 29.762 -0.028 0.000 1.382 104 H HN 0.151 nan 8.280 nan 0.000 0.523 105 M N -1.243 118.451 119.600 0.155 0.000 2.460 105 M HA 0.017 4.497 4.480 -0.000 0.000 0.263 105 M C 1.148 177.504 176.300 0.093 0.000 1.071 105 M CA 1.262 56.655 55.300 0.155 0.000 1.096 105 M CB 0.437 33.175 32.600 0.230 0.000 1.408 105 M HN 0.567 nan 8.290 nan 0.000 0.463 106 G N 0.128 108.924 108.800 -0.007 0.000 2.159 106 G HA2 -0.189 3.770 3.960 -0.000 0.000 0.170 106 G HA3 -0.189 3.770 3.960 -0.000 0.000 0.170 106 G C -0.298 174.323 174.900 -0.466 0.000 1.007 106 G CA -0.803 44.134 45.100 -0.272 0.000 0.672 106 G HN 0.393 nan 8.290 nan 0.000 0.507 107 F N 2.643 122.700 119.950 0.178 0.000 2.686 107 F HA 0.443 4.970 4.527 -0.000 0.000 0.365 107 F C 1.077 176.982 175.800 0.176 0.000 1.196 107 F CA -0.269 57.849 58.000 0.197 0.000 1.198 107 F CB 0.848 39.926 39.000 0.129 0.000 1.454 107 F HN 0.212 nan 8.300 nan 0.000 0.539 108 T N -2.086 112.623 114.554 0.258 0.000 2.734 108 T HA -0.157 4.193 4.350 -0.000 0.000 0.314 108 T C 1.213 176.050 174.700 0.228 0.000 1.057 108 T CA -0.483 61.735 62.100 0.197 0.000 1.047 108 T CB 0.916 69.856 68.868 0.120 0.000 0.991 108 T HN 0.745 nan 8.240 nan 0.000 0.540 109 W N 0.893 122.164 121.300 -0.048 0.000 2.388 109 W HA -0.124 4.536 4.660 -0.001 0.000 0.294 109 W C 1.786 178.302 176.519 -0.004 0.000 1.212 109 W CA 1.316 58.585 57.345 -0.125 0.000 1.271 109 W CB -0.206 29.096 29.460 -0.264 0.000 1.126 109 W HN 0.852 nan 8.180 nan 0.000 0.535 110 E N 0.355 120.470 120.200 -0.141 0.000 2.058 110 E HA -0.321 4.029 4.350 -0.000 0.000 0.194 110 E C 2.093 178.633 176.600 -0.101 0.000 0.997 110 E CA 2.173 58.446 56.400 -0.211 0.000 0.801 110 E CB -0.905 28.753 29.700 -0.069 0.000 0.746 110 E HN 0.290 nan 8.360 nan 0.000 0.450 111 H N -0.304 118.719 119.070 -0.077 0.000 2.423 111 H HA 0.047 4.603 4.556 -0.000 0.000 0.297 111 H C 1.927 177.273 175.328 0.031 0.000 1.075 111 H CA 1.525 57.568 56.048 -0.008 0.000 1.342 111 H CB -0.263 29.522 29.762 0.037 0.000 1.395 111 H HN 0.227 nan 8.280 nan 0.000 0.530 112 I N 0.096 120.678 120.570 0.021 0.000 2.315 112 I HA -0.265 3.905 4.170 -0.000 0.000 0.248 112 I C 2.390 178.409 176.117 -0.164 0.000 1.117 112 I CA 1.197 62.482 61.300 -0.025 0.000 1.404 112 I CB -0.238 37.862 38.000 0.167 0.000 1.071 112 I HN 0.332 nan 8.210 nan 0.000 0.419 113 Q N 0.328 119.889 119.800 -0.397 0.000 2.167 113 Q HA -0.230 4.110 4.340 -0.000 0.000 0.202 113 Q C 2.045 177.925 176.000 -0.199 0.000 0.970 113 Q CA 1.399 56.939 55.803 -0.439 0.000 0.855 113 Q CB -0.041 28.300 28.738 -0.662 0.000 0.911 113 Q HN 0.545 nan 8.270 nan 0.000 0.438 114 E N 0.439 120.568 120.200 -0.119 0.000 2.047 114 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 114 E C 1.910 178.504 176.600 -0.011 0.000 0.987 114 E CA 0.841 57.223 56.400 -0.029 0.000 0.799 114 E CB 0.026 29.763 29.700 0.062 0.000 0.752 114 E HN 0.305 nan 8.360 nan 0.000 0.449 115 I N 0.709 121.268 120.570 -0.020 0.000 2.202 115 I HA -0.185 3.985 4.170 -0.000 0.000 0.242 115 I C 1.054 177.160 176.117 -0.018 0.000 1.091 115 I CA 0.723 62.012 61.300 -0.018 0.000 1.368 115 I CB 0.091 38.058 38.000 -0.056 0.000 1.058 115 I HN 0.022 nan 8.210 nan 0.000 0.410 116 N N 0.102 118.783 118.700 -0.032 0.000 2.675 116 N HA 0.171 4.911 4.740 -0.000 0.000 0.254 116 N C -2.181 173.315 175.510 -0.023 0.000 1.224 116 N CA -1.769 51.273 53.050 -0.014 0.000 0.777 116 N CB 1.075 39.567 38.487 0.008 0.000 1.256 116 N HN -0.167 nan 8.380 nan 0.000 0.531 117 P HA -0.030 nan 4.420 nan 0.000 0.228 117 P C 0.695 177.999 177.300 0.007 0.000 1.151 117 P CA 0.796 63.871 63.100 -0.042 0.000 0.770 117 P CB 0.432 32.107 31.700 -0.041 0.000 0.786 118 R N -1.011 119.504 120.500 0.025 0.000 2.297 118 R HA 0.185 4.525 4.340 -0.000 0.000 0.197 118 R C 0.981 177.335 176.300 0.090 0.000 0.943 118 R CA -0.340 55.788 56.100 0.047 0.000 1.038 118 R CB -0.267 30.051 30.300 0.030 0.000 0.957 118 R HN 0.235 nan 8.270 nan 0.000 0.484 119 L N 1.714 123.008 121.223 0.119 0.000 2.380 119 L HA 0.261 4.601 4.340 -0.000 0.000 0.273 119 L C -0.471 176.571 176.870 0.286 0.000 1.138 119 L CA 0.000 54.943 54.840 0.171 0.000 0.832 119 L CB 0.684 42.851 42.059 0.180 0.000 1.124 119 L HN -0.052 nan 8.230 nan 0.000 0.454 120 I N 5.434 126.133 120.570 0.214 0.000 2.321 120 I HA 0.213 4.383 4.170 -0.000 0.000 0.291 120 I C -0.776 175.457 176.117 0.194 0.000 0.998 120 I CA -0.156 61.268 61.300 0.208 0.000 1.227 120 I CB 1.139 39.209 38.000 0.116 0.000 1.368 120 I HN 0.494 nan 8.210 nan 0.000 0.466 121 F N 5.703 125.654 119.950 0.002 0.000 2.388 121 F HA 0.670 5.197 4.527 -0.001 0.000 0.358 121 F C 0.484 176.205 175.800 -0.131 0.000 1.122 121 F CA -0.404 57.561 58.000 -0.059 0.000 1.056 121 F CB 1.075 39.975 39.000 -0.166 0.000 1.155 121 F HN 0.402 nan 8.300 nan 0.000 0.461 122 G N 3.320 112.026 108.800 -0.156 0.000 2.416 122 G HA2 0.462 4.421 3.960 -0.000 0.000 0.324 122 G HA3 0.462 4.421 3.960 -0.000 0.000 0.324 122 G C -1.521 173.310 174.900 -0.116 0.000 1.194 122 G CA -0.621 44.434 45.100 -0.075 0.000 0.922 122 G HN 0.641 nan 8.290 nan 0.000 0.467 123 S N 1.893 117.603 115.700 0.017 0.000 2.557 123 S HA 0.632 5.102 4.470 -0.000 0.000 0.291 123 S C -0.542 174.048 174.600 -0.016 0.000 1.116 123 S CA -0.689 57.533 58.200 0.037 0.000 0.992 123 S CB 0.830 64.146 63.200 0.194 0.000 1.028 123 S HN 0.444 nan 8.310 nan 0.000 0.484 124 I N 4.817 125.352 120.570 -0.059 0.000 2.359 124 I HA 0.520 4.690 4.170 -0.000 0.000 0.294 124 I C -0.076 175.998 176.117 -0.072 0.000 0.987 124 I CA -0.611 60.642 61.300 -0.078 0.000 1.225 124 I CB 1.274 39.206 38.000 -0.114 0.000 1.366 124 I HN 0.441 nan 8.210 nan 0.000 0.466 125 K N 3.407 123.769 120.400 -0.063 0.000 2.433 125 K HA 0.454 4.773 4.320 -0.000 0.000 0.252 125 K C 0.719 177.260 176.600 -0.099 0.000 1.015 125 K CA -0.654 55.606 56.287 -0.045 0.000 0.860 125 K CB 1.634 34.147 32.500 0.021 0.000 1.359 125 K HN 0.635 nan 8.250 nan 0.000 0.452 126 G N 0.255 109.012 108.800 -0.072 0.000 2.404 126 G HA2 -0.048 3.911 3.960 -0.000 0.000 0.215 126 G HA3 -0.048 3.911 3.960 -0.000 0.000 0.215 126 G C 0.019 174.542 174.900 -0.628 0.000 1.174 126 G CA 1.054 45.987 45.100 -0.278 0.000 0.780 126 G HN 0.338 nan 8.290 nan 0.000 0.537 127 F N -0.841 119.127 119.950 0.029 0.000 2.643 127 F HA 0.404 4.931 4.527 -0.001 0.000 0.314 127 F C -0.638 175.186 175.800 0.040 0.000 1.096 127 F CA -1.299 56.732 58.000 0.052 0.000 0.953 127 F CB 1.383 40.453 39.000 0.117 0.000 1.345 127 F HN -0.210 nan 8.300 nan 0.000 0.468 128 D N 0.534 121.074 120.400 0.234 0.000 2.360 128 D HA 0.041 4.681 4.640 -0.000 0.000 0.242 128 D C 1.083 177.455 176.300 0.119 0.000 1.184 128 D CA 0.072 54.148 54.000 0.128 0.000 0.930 128 D CB 0.711 41.568 40.800 0.095 0.000 1.161 128 D HN 0.680 nan 8.370 nan 0.000 0.447 129 E N -0.056 120.187 120.200 0.072 0.000 2.130 129 E HA -0.208 4.142 4.350 -0.000 0.000 0.196 129 E C 1.485 178.111 176.600 0.043 0.000 0.998 129 E CA 1.196 57.629 56.400 0.054 0.000 0.806 129 E CB 0.097 29.816 29.700 0.032 0.000 0.738 129 E HN 0.631 nan 8.360 nan 0.000 0.459 130 C N -0.109 119.213 119.300 0.037 0.000 2.673 130 C HA 0.366 4.826 4.460 -0.000 0.000 0.274 130 C C 1.224 176.213 174.990 -0.002 0.000 1.276 130 C CA -0.888 58.139 59.018 0.014 0.000 1.701 130 C CB -1.016 26.730 27.740 0.011 0.000 1.836 130 C HN 0.060 nan 8.230 nan 0.000 0.596 131 S N 2.694 118.406 115.700 0.021 0.000 2.564 131 S HA 0.307 4.776 4.470 -0.000 0.000 0.278 131 S C -0.451 174.059 174.600 -0.150 0.000 1.333 131 S CA -0.659 57.530 58.200 -0.018 0.000 1.048 131 S CB 0.893 64.159 63.200 0.109 0.000 0.900 131 S HN 0.468 nan 8.310 nan 0.000 0.505 132 P HA -0.105 nan 4.420 nan 0.000 0.219 132 P C 0.154 177.138 177.300 -0.526 0.000 1.146 132 P CA 1.378 64.208 63.100 -0.450 0.000 0.808 132 P CB -0.161 31.149 31.700 -0.651 0.000 0.779 133 Y N -0.298 119.804 120.300 -0.329 0.000 2.495 133 Y HA 0.042 4.592 4.550 -0.001 0.000 0.293 133 Y C 2.206 177.835 175.900 -0.452 0.000 1.186 133 Y CA -0.611 57.135 58.100 -0.590 0.000 1.266 133 Y CB -0.796 36.829 38.460 -1.392 0.000 1.101 133 Y HN -0.233 nan 8.280 nan 0.000 0.517 134 V N -1.259 118.608 119.914 -0.079 0.000 2.380 134 V HA -0.315 3.804 4.120 -0.000 0.000 0.251 134 V C 1.313 177.484 176.094 0.128 0.000 1.063 134 V CA 1.949 64.295 62.300 0.077 0.000 1.055 134 V CB -0.304 31.553 31.823 0.057 0.000 0.657 134 V HN 0.504 nan 8.190 nan 0.000 0.455 135 N N -0.112 118.632 118.700 0.074 0.000 2.214 135 N HA 0.240 4.980 4.740 -0.000 0.000 0.214 135 N C 0.111 175.687 175.510 0.110 0.000 1.132 135 N CA 0.033 53.142 53.050 0.098 0.000 0.856 135 N CB 0.982 39.499 38.487 0.050 0.000 1.020 135 N HN 0.370 nan 8.380 nan 0.000 0.509 136 V N 2.013 121.996 119.914 0.115 0.000 2.655 136 V HA -0.016 4.104 4.120 -0.000 0.000 0.300 136 V C 0.808 177.061 176.094 0.265 0.000 1.044 136 V CA -0.058 62.338 62.300 0.159 0.000 1.095 136 V CB 0.671 32.560 31.823 0.110 0.000 0.952 136 V HN 0.011 nan 8.190 nan 0.000 0.485 137 K N 4.354 124.897 120.400 0.239 0.000 2.316 137 K HA 0.530 4.849 4.320 -0.000 0.000 0.289 137 K C -0.090 176.635 176.600 0.208 0.000 1.070 137 K CA -0.053 56.384 56.287 0.250 0.000 0.928 137 K CB 1.178 33.847 32.500 0.281 0.000 1.039 137 K HN 0.751 nan 8.250 nan 0.000 0.480 138 A N 4.672 127.542 122.820 0.084 0.000 2.249 138 A HA 0.433 4.753 4.320 -0.000 0.000 0.314 138 A C -1.031 176.466 177.584 -0.146 0.000 1.290 138 A CA -0.577 51.487 52.037 0.044 0.000 0.893 138 A CB 0.150 19.106 19.000 -0.073 0.000 1.165 138 A HN 0.616 nan 8.150 nan 0.000 0.530 139 Y N 0.457 120.774 120.300 0.028 0.000 2.458 139 Y HA 0.325 4.874 4.550 -0.000 0.000 0.322 139 Y C 1.714 177.604 175.900 -0.017 0.000 1.259 139 Y CA 0.165 58.272 58.100 0.011 0.000 1.302 139 Y CB 0.797 39.275 38.460 0.031 0.000 1.314 139 Y HN 0.925 nan 8.280 nan 0.000 0.509 140 E N 1.084 121.363 120.200 0.132 0.000 2.170 140 E HA -0.361 3.989 4.350 -0.000 0.000 0.229 140 E C 1.176 177.795 176.600 0.032 0.000 1.074 140 E CA 2.728 59.160 56.400 0.054 0.000 0.930 140 E CB -0.276 29.461 29.700 0.062 0.000 0.806 140 E HN 0.704 nan 8.360 nan 0.000 0.478 141 N N -0.759 117.975 118.700 0.057 0.000 2.409 141 N HA -0.041 4.699 4.740 -0.000 0.000 0.179 141 N C 1.770 177.298 175.510 0.031 0.000 1.032 141 N CA 1.023 54.091 53.050 0.030 0.000 0.898 141 N CB -0.059 38.442 38.487 0.022 0.000 0.971 141 N HN 0.117 nan 8.380 nan 0.000 0.441 142 V N 1.439 121.392 119.914 0.064 0.000 2.343 142 V HA -0.193 3.927 4.120 -0.000 0.000 0.247 142 V C 2.395 178.497 176.094 0.014 0.000 1.051 142 V CA 1.893 64.233 62.300 0.067 0.000 1.036 142 V CB -0.922 30.985 31.823 0.141 0.000 0.654 142 V HN 0.281 nan 8.190 nan 0.000 0.451 143 A N -1.064 121.725 122.820 -0.051 0.000 1.930 143 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 143 A C 2.184 179.716 177.584 -0.087 0.000 1.175 143 A CA 1.534 53.484 52.037 -0.145 0.000 0.627 143 A CB -0.415 18.463 19.000 -0.202 0.000 0.815 143 A HN 0.614 nan 8.150 nan 0.000 0.443 144 Q N -0.650 119.122 119.800 -0.047 0.000 2.124 144 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 144 Q C 2.412 178.401 176.000 -0.019 0.000 0.977 144 Q CA 1.286 57.069 55.803 -0.032 0.000 0.850 144 Q CB -0.337 28.389 28.738 -0.020 0.000 0.901 144 Q HN 0.700 nan 8.270 nan 0.000 0.429 145 A N 1.014 123.827 122.820 -0.011 0.000 1.898 145 A HA -0.043 4.276 4.320 -0.000 0.000 0.216 145 A C 2.231 179.810 177.584 -0.009 0.000 1.181 145 A CA 1.501 53.535 52.037 -0.005 0.000 0.620 145 A CB -0.561 18.438 19.000 -0.001 0.000 0.819 145 A HN 0.372 nan 8.150 nan 0.000 0.442 146 A N -0.989 121.823 122.820 -0.013 0.000 2.119 146 A HA 0.295 4.615 4.320 -0.000 0.000 0.216 146 A C 2.061 179.656 177.584 0.018 0.000 1.152 146 A CA 1.428 53.466 52.037 0.002 0.000 0.708 146 A CB -0.697 18.366 19.000 0.104 0.000 0.805 146 A HN 0.705 nan 8.150 nan 0.000 0.460 147 G N -2.336 106.457 108.800 -0.013 0.000 2.986 147 G HA2 0.382 4.341 3.960 -0.000 0.000 0.213 147 G HA3 0.382 4.341 3.960 -0.000 0.000 0.213 147 G C 1.055 175.955 174.900 -0.001 0.000 1.156 147 G CA 0.552 45.642 45.100 -0.017 0.000 0.763 147 G HN 1.525 nan 8.290 nan 0.000 0.547 148 G N -0.696 108.110 108.800 0.010 0.000 2.218 148 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.216 148 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.216 148 G C 1.401 176.314 174.900 0.021 0.000 0.994 148 G CA 0.947 46.060 45.100 0.022 0.000 0.637 148 G HN 1.033 nan 8.290 nan 0.000 0.505 149 A N 0.842 123.666 122.820 0.006 0.000 1.873 149 A HA 0.503 4.823 4.320 -0.000 0.000 0.215 149 A C 2.822 180.411 177.584 0.007 0.000 1.186 149 A CA 2.789 54.828 52.037 0.003 0.000 0.616 149 A CB -0.931 18.063 19.000 -0.011 0.000 0.823 149 A HN 1.734 nan 8.150 nan 0.000 0.442 150 A N -0.603 122.220 122.820 0.005 0.000 1.933 150 A HA -0.125 4.194 4.320 -0.000 0.000 0.218 150 A C 2.471 180.069 177.584 0.023 0.000 1.175 150 A CA 2.208 54.250 52.037 0.009 0.000 0.628 150 A CB -0.962 18.042 19.000 0.007 0.000 0.814 150 A HN 0.630 nan 8.150 nan 0.000 0.444 151 S N -0.421 115.299 115.700 0.033 0.000 2.400 151 S HA -0.144 4.325 4.470 -0.000 0.000 0.232 151 S C 1.793 176.434 174.600 0.069 0.000 1.025 151 S CA 2.314 60.544 58.200 0.051 0.000 0.993 151 S CB -0.485 62.747 63.200 0.054 0.000 0.808 151 S HN 0.812 nan 8.310 nan 0.000 0.478 152 T N -1.985 112.608 114.554 0.064 0.000 3.044 152 T HA 0.322 4.672 4.350 -0.000 0.000 0.260 152 T C 0.307 175.041 174.700 0.056 0.000 1.019 152 T CA -0.300 61.854 62.100 0.090 0.000 0.921 152 T CB 0.367 69.294 68.868 0.100 0.000 1.053 152 T HN 0.158 nan 8.240 nan 0.000 0.533 153 T N 1.637 116.203 114.554 0.021 0.000 2.823 153 T HA 0.701 5.051 4.350 -0.000 0.000 0.279 153 T C 0.454 175.133 174.700 -0.035 0.000 0.998 153 T CA 0.239 62.324 62.100 -0.024 0.000 0.994 153 T CB 1.326 70.175 68.868 -0.031 0.000 0.960 153 T HN 0.765 nan 8.240 nan 0.000 0.448 154 G N 2.069 110.808 108.800 -0.101 0.000 2.342 154 G HA2 0.056 4.015 3.960 -0.000 0.000 0.220 154 G HA3 0.056 4.015 3.960 -0.000 0.000 0.220 154 G C -1.546 173.214 174.900 -0.233 0.000 1.243 154 G CA -1.001 44.041 45.100 -0.098 0.000 1.083 154 G HN 0.566 nan 8.290 nan 0.000 0.500 155 F N 0.715 120.547 119.950 -0.197 0.000 2.458 155 F HA 0.527 5.054 4.527 0.000 0.000 0.330 155 F C 1.513 177.139 175.800 -0.290 0.000 1.082 155 F CA 0.191 57.936 58.000 -0.426 0.000 0.995 155 F CB 1.367 39.972 39.000 -0.659 0.000 1.170 155 F HN 0.756 nan 8.300 nan 0.000 0.478 156 W N 0.252 121.691 121.300 0.232 0.000 2.350 156 W HA -0.128 4.531 4.660 -0.001 0.000 0.289 156 W C 1.047 177.639 176.519 0.122 0.000 1.215 156 W CA 1.189 58.622 57.345 0.147 0.000 1.236 156 W CB -0.800 28.735 29.460 0.125 0.000 1.130 156 W HN 0.417 nan 8.180 nan 0.000 0.541 157 D N -0.227 120.096 120.400 -0.129 0.000 2.427 157 D HA 0.300 4.940 4.640 -0.000 0.000 0.224 157 D C 0.679 176.940 176.300 -0.064 0.000 1.157 157 D CA 0.063 54.058 54.000 -0.009 0.000 0.828 157 D CB -0.267 40.538 40.800 0.009 0.000 0.974 157 D HN 0.160 nan 8.370 nan 0.000 0.498 158 G N 0.368 109.138 108.800 -0.051 0.000 2.816 158 G HA2 0.616 4.575 3.960 -0.000 0.000 0.288 158 G HA3 0.616 4.575 3.960 -0.000 0.000 0.288 158 G C -2.838 172.069 174.900 0.012 0.000 1.334 158 G CA -1.483 43.599 45.100 -0.029 0.000 0.978 158 G HN -0.055 nan 8.290 nan 0.000 0.493 159 P HA 0.327 nan 4.420 nan 0.000 0.274 159 P C -2.711 174.603 177.300 0.024 0.000 1.256 159 P CA -1.187 61.924 63.100 0.019 0.000 0.795 159 P CB 0.270 31.975 31.700 0.008 0.000 1.038 160 P HA 0.110 nan 4.420 nan 0.000 0.266 160 P C -0.599 176.708 177.300 0.010 0.000 1.193 160 P CA 0.372 63.486 63.100 0.023 0.000 0.770 160 P CB 0.175 31.890 31.700 0.025 0.000 0.836 161 L N 4.006 125.231 121.223 0.003 0.000 2.386 161 L HA 0.462 4.802 4.340 -0.000 0.000 0.271 161 L C -0.572 176.290 176.870 -0.013 0.000 0.993 161 L CA -0.940 53.895 54.840 -0.008 0.000 0.819 161 L CB 1.976 44.026 42.059 -0.015 0.000 1.294 161 L HN 0.215 nan 8.230 nan 0.000 0.414 162 V N 1.427 121.333 119.914 -0.014 0.000 3.003 162 V HA 0.650 4.770 4.120 -0.000 0.000 0.305 162 V C 0.230 176.309 176.094 -0.025 0.000 1.078 162 V CA -0.316 61.974 62.300 -0.016 0.000 1.083 162 V CB 1.215 33.031 31.823 -0.012 0.000 1.039 162 V HN 0.855 nan 8.190 nan 0.000 0.481 163 S N 2.347 118.031 115.700 -0.026 0.000 2.541 163 S HA 0.649 5.119 4.470 -0.000 0.000 0.283 163 S C 1.258 175.840 174.600 -0.029 0.000 1.196 163 S CA -0.029 58.151 58.200 -0.033 0.000 1.062 163 S CB 1.507 64.687 63.200 -0.034 0.000 1.009 163 S HN 1.327 nan 8.310 nan 0.000 0.502 164 A N 2.275 125.075 122.820 -0.033 0.000 1.933 164 A HA 0.236 4.556 4.320 -0.000 0.000 0.218 164 A C 1.281 178.850 177.584 -0.025 0.000 1.175 164 A CA 1.124 53.143 52.037 -0.029 0.000 0.628 164 A CB -0.847 18.135 19.000 -0.031 0.000 0.814 164 A HN 0.999 nan 8.150 nan 0.000 0.444 165 A N -0.165 122.640 122.820 -0.025 0.000 2.511 165 A HA 0.469 4.789 4.320 -0.000 0.000 0.242 165 A C 0.777 178.353 177.584 -0.014 0.000 1.069 165 A CA 0.285 52.311 52.037 -0.018 0.000 0.763 165 A CB -0.176 18.812 19.000 -0.020 0.000 1.001 165 A HN 1.377 nan 8.150 nan 0.000 0.498 166 A N 3.396 126.211 122.820 -0.008 0.000 3.048 166 A HA 0.400 4.720 4.320 -0.000 0.000 0.264 166 A C 1.093 178.671 177.584 -0.010 0.000 1.796 166 A CA -0.311 51.722 52.037 -0.006 0.000 1.445 166 A CB -0.868 18.132 19.000 0.000 0.000 1.074 166 A HN 0.868 nan 8.150 nan 0.000 0.621 167 L N 0.507 121.720 121.223 -0.017 0.000 2.131 167 L HA -0.144 4.195 4.340 -0.000 0.000 0.210 167 L C 2.540 179.381 176.870 -0.049 0.000 1.092 167 L CA 1.561 56.385 54.840 -0.026 0.000 0.759 167 L CB -0.322 41.718 42.059 -0.031 0.000 0.903 167 L HN 0.644 nan 8.230 nan 0.000 0.435 168 G N -1.392 107.378 108.800 -0.051 0.000 2.539 168 G HA2 -0.087 3.872 3.960 -0.000 0.000 0.215 168 G HA3 -0.087 3.872 3.960 -0.000 0.000 0.215 168 G C 0.853 175.709 174.900 -0.072 0.000 1.141 168 G CA 0.232 45.285 45.100 -0.078 0.000 0.806 168 G HN 0.242 nan 8.290 nan 0.000 0.533 169 D N 0.112 120.487 120.400 -0.041 0.000 2.855 169 D HA 0.117 4.757 4.640 -0.000 0.000 0.257 169 D C 2.688 178.968 176.300 -0.033 0.000 1.542 169 D CA 0.566 54.544 54.000 -0.038 0.000 1.164 169 D CB -0.446 40.351 40.800 -0.005 0.000 1.004 169 D HN 0.008 nan 8.370 nan 0.000 0.293 170 S N 0.871 116.561 115.700 -0.016 0.000 2.374 170 S HA -0.221 4.249 4.470 -0.000 0.000 0.227 170 S C 1.670 176.274 174.600 0.006 0.000 1.037 170 S CA 1.571 59.762 58.200 -0.015 0.000 1.024 170 S CB -0.463 62.734 63.200 -0.005 0.000 0.861 170 S HN 0.250 nan 8.310 nan 0.000 0.456 171 N N 1.024 119.738 118.700 0.024 0.000 2.069 171 N HA -0.124 4.616 4.740 -0.000 0.000 0.191 171 N C 1.561 177.153 175.510 0.137 0.000 1.031 171 N CA 2.238 55.342 53.050 0.089 0.000 0.852 171 N CB -0.692 37.833 38.487 0.063 0.000 1.018 171 N HN 0.309 nan 8.380 nan 0.000 0.423 172 T N -1.173 113.389 114.554 0.013 0.000 2.720 172 T HA -0.060 4.289 4.350 -0.000 0.000 0.268 172 T C 1.783 176.492 174.700 0.015 0.000 1.037 172 T CA 1.392 63.480 62.100 -0.020 0.000 1.144 172 T CB -1.025 67.789 68.868 -0.090 0.000 0.864 172 T HN 0.489 nan 8.240 nan 0.000 0.444 173 G N 1.378 110.168 108.800 -0.016 0.000 2.432 173 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.219 173 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.219 173 G C 1.497 176.386 174.900 -0.018 0.000 1.135 173 G CA 0.605 45.680 45.100 -0.041 0.000 0.767 173 G HN 0.297 nan 8.290 nan 0.000 0.550 174 M N 0.175 119.784 119.600 0.015 0.000 2.254 174 M HA 0.059 4.539 4.480 -0.000 0.000 0.265 174 M C 2.108 178.399 176.300 -0.015 0.000 1.066 174 M CA 0.813 56.110 55.300 -0.006 0.000 1.123 174 M CB -1.220 31.374 32.600 -0.009 0.000 1.388 174 M HN 0.339 nan 8.290 nan 0.000 0.425 175 H N -0.774 118.281 119.070 -0.025 0.000 2.363 175 H HA -0.069 4.486 4.556 -0.001 0.000 0.301 175 H C 2.092 177.406 175.328 -0.022 0.000 1.074 175 H CA 1.253 57.289 56.048 -0.020 0.000 1.354 175 H CB -0.046 29.700 29.762 -0.027 0.000 1.397 175 H HN 0.194 nan 8.280 nan 0.000 0.516 176 L N 1.166 122.436 121.223 0.079 0.000 2.083 176 L HA -0.139 4.200 4.340 -0.000 0.000 0.209 176 L C 2.378 179.252 176.870 0.006 0.000 1.083 176 L CA 1.015 55.868 54.840 0.021 0.000 0.752 176 L CB -0.664 41.383 42.059 -0.022 0.000 0.899 176 L HN 0.110 nan 8.230 nan 0.000 0.433 177 L N -0.443 120.778 121.223 -0.004 0.000 2.042 177 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 177 L C 2.339 179.228 176.870 0.032 0.000 1.076 177 L CA 1.877 56.718 54.840 0.001 0.000 0.749 177 L CB -0.579 41.472 42.059 -0.013 0.000 0.893 177 L HN 0.309 nan 8.230 nan 0.000 0.432 178 I N -0.403 120.178 120.570 0.018 0.000 2.163 178 I HA -0.271 3.899 4.170 -0.000 0.000 0.243 178 I C 2.492 178.624 176.117 0.025 0.000 1.085 178 I CA 1.513 62.822 61.300 0.016 0.000 1.347 178 I CB -1.132 36.850 38.000 -0.029 0.000 1.044 178 I HN 0.446 nan 8.210 nan 0.000 0.408 179 G N 0.849 109.665 108.800 0.026 0.000 2.418 179 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.217 179 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.217 179 G C 1.693 176.613 174.900 0.032 0.000 1.158 179 G CA 0.538 45.654 45.100 0.027 0.000 0.771 179 G HN 0.276 nan 8.290 nan 0.000 0.545 180 L N -0.104 121.136 121.223 0.028 0.000 2.056 180 L HA 0.012 4.351 4.340 -0.000 0.000 0.207 180 L C 2.904 179.803 176.870 0.047 0.000 1.078 180 L CA 0.532 55.391 54.840 0.031 0.000 0.749 180 L CB -0.432 41.634 42.059 0.011 0.000 0.901 180 L HN 0.180 nan 8.230 nan 0.000 0.433 181 L N -0.330 120.926 121.223 0.055 0.000 2.056 181 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 181 L C 2.927 179.827 176.870 0.049 0.000 1.078 181 L CA 1.087 55.964 54.840 0.062 0.000 0.749 181 L CB -0.796 41.313 42.059 0.083 0.000 0.901 181 L HN 0.236 nan 8.230 nan 0.000 0.433 182 A N 0.264 123.109 122.820 0.042 0.000 1.902 182 A HA -0.184 4.135 4.320 -0.000 0.000 0.217 182 A C 2.539 180.165 177.584 0.070 0.000 1.181 182 A CA 1.816 53.875 52.037 0.036 0.000 0.623 182 A CB -0.682 18.326 19.000 0.014 0.000 0.818 182 A HN 0.403 nan 8.150 nan 0.000 0.443 183 A N -0.445 122.424 122.820 0.082 0.000 1.933 183 A HA -0.004 4.316 4.320 -0.000 0.000 0.218 183 A C 2.164 179.820 177.584 0.119 0.000 1.175 183 A CA 1.401 53.513 52.037 0.124 0.000 0.628 183 A CB -0.547 18.512 19.000 0.099 0.000 0.814 183 A HN 0.475 nan 8.150 nan 0.000 0.444 184 L N -0.807 120.465 121.223 0.081 0.000 2.046 184 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 184 L C 2.555 179.466 176.870 0.068 0.000 1.077 184 L CA 1.162 56.041 54.840 0.064 0.000 0.747 184 L CB -0.499 41.586 42.059 0.043 0.000 0.896 184 L HN 0.378 nan 8.230 nan 0.000 0.432 185 L N -1.302 119.965 121.223 0.072 0.000 2.083 185 L HA -0.278 4.062 4.340 -0.000 0.000 0.209 185 L C 2.584 179.533 176.870 0.133 0.000 1.083 185 L CA 1.347 56.231 54.840 0.074 0.000 0.752 185 L CB -0.677 41.412 42.059 0.049 0.000 0.899 185 L HN 0.349 nan 8.230 nan 0.000 0.433 186 H N -0.106 118.978 119.070 0.024 0.000 2.389 186 H HA -0.160 4.397 4.556 0.000 0.000 0.299 186 H C 2.490 177.837 175.328 0.031 0.000 1.081 186 H CA 0.992 57.057 56.048 0.028 0.000 1.345 186 H CB 0.355 30.138 29.762 0.034 0.000 1.393 186 H HN 0.153 nan 8.280 nan 0.000 0.520 187 R N 0.971 121.518 120.500 0.079 0.000 2.152 187 R HA -0.118 4.221 4.340 -0.000 0.000 0.232 187 R C 1.804 178.106 176.300 0.003 0.000 1.117 187 R CA 1.601 57.701 56.100 0.001 0.000 0.981 187 R CB 0.070 30.389 30.300 0.031 0.000 0.870 187 R HN 0.546 nan 8.270 nan 0.000 0.451 188 E N 0.039 120.257 120.200 0.031 0.000 2.204 188 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 188 E C 1.607 178.219 176.600 0.019 0.000 0.990 188 E CA 1.232 57.646 56.400 0.023 0.000 0.821 188 E CB 0.124 29.841 29.700 0.028 0.000 0.750 188 E HN 0.437 nan 8.360 nan 0.000 0.477 189 K N 0.020 120.437 120.400 0.028 0.000 2.168 189 K HA 0.000 4.320 4.320 -0.000 0.000 0.201 189 K C 2.324 178.911 176.600 -0.022 0.000 1.049 189 K CA 1.380 57.681 56.287 0.023 0.000 0.974 189 K CB 0.102 32.648 32.500 0.078 0.000 0.792 189 K HN 0.085 nan 8.250 nan 0.000 0.463 190 T N -1.996 112.502 114.554 -0.093 0.000 3.067 190 T HA 0.107 4.457 4.350 -0.000 0.000 0.261 190 T C 1.581 176.239 174.700 -0.070 0.000 1.110 190 T CA 0.500 62.526 62.100 -0.123 0.000 1.113 190 T CB -0.005 68.701 68.868 -0.271 0.000 0.917 190 T HN 0.335 nan 8.240 nan 0.000 0.499 191 G N 1.892 110.663 108.800 -0.048 0.000 2.187 191 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.261 191 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.261 191 G C 0.040 174.927 174.900 -0.021 0.000 1.000 191 G CA 0.113 45.198 45.100 -0.025 0.000 0.718 191 G HN 0.651 nan 8.290 nan 0.000 0.519 192 R N -0.564 119.917 120.500 -0.033 0.000 2.725 192 R HA 0.649 4.989 4.340 -0.000 0.000 0.277 192 R C 0.662 176.981 176.300 0.031 0.000 0.987 192 R CA -0.119 55.979 56.100 -0.003 0.000 0.901 192 R CB 1.287 31.581 30.300 -0.011 0.000 1.207 192 R HN 0.355 nan 8.270 nan 0.000 0.463 193 G N 0.335 109.193 108.800 0.096 0.000 2.588 193 G HA2 0.457 4.417 3.960 -0.000 0.000 0.281 193 G HA3 0.457 4.417 3.960 -0.000 0.000 0.281 193 G C -0.540 174.523 174.900 0.272 0.000 1.236 193 G CA -0.143 45.064 45.100 0.179 0.000 0.969 193 G HN 0.563 nan 8.290 nan 0.000 0.504 194 Q N -1.890 118.104 119.800 0.324 0.000 2.782 194 Q HA 0.482 4.821 4.340 -0.000 0.000 0.308 194 Q C -1.184 174.815 176.000 -0.002 0.000 0.883 194 Q CA -1.064 54.928 55.803 0.315 0.000 0.755 194 Q CB 1.469 30.321 28.738 0.191 0.000 1.454 194 Q HN 0.479 nan 8.270 nan 0.000 0.452 195 R N 0.586 120.878 120.500 -0.347 0.000 2.312 195 R HA 0.622 4.962 4.340 -0.000 0.000 0.311 195 R C -1.398 174.787 176.300 -0.192 0.000 1.004 195 R CA -0.401 55.366 56.100 -0.554 0.000 0.902 195 R CB 1.564 31.240 30.300 -1.040 0.000 1.073 195 R HN 0.474 nan 8.270 nan 0.000 0.457 196 V N 3.783 123.644 119.914 -0.087 0.000 2.443 196 V HA 0.331 4.451 4.120 -0.000 0.000 0.293 196 V C -0.183 175.900 176.094 -0.018 0.000 1.021 196 V CA -0.718 61.564 62.300 -0.030 0.000 0.848 196 V CB 1.721 33.545 31.823 0.001 0.000 0.998 196 V HN 0.966 nan 8.190 nan 0.000 0.424 197 T N 2.604 117.144 114.554 -0.023 0.000 2.885 197 T HA 0.874 5.224 4.350 -0.000 0.000 0.285 197 T C -0.787 173.907 174.700 -0.011 0.000 1.019 197 T CA -0.749 61.343 62.100 -0.013 0.000 1.010 197 T CB 1.989 70.844 68.868 -0.021 0.000 1.022 197 T HN 0.469 nan 8.240 nan 0.000 0.466 198 M N 3.467 123.055 119.600 -0.019 0.000 2.224 198 M HA 0.508 4.988 4.480 -0.000 0.000 0.281 198 M C -0.553 175.711 176.300 -0.060 0.000 1.025 198 M CA -0.381 54.900 55.300 -0.031 0.000 0.954 198 M CB 2.124 34.713 32.600 -0.018 0.000 1.639 198 M HN 0.959 nan 8.290 nan 0.000 0.461 199 S N 4.230 119.883 115.700 -0.078 0.000 2.617 199 S HA 0.560 5.030 4.470 -0.000 0.000 0.283 199 S C 0.819 175.309 174.600 -0.184 0.000 1.189 199 S CA -0.755 57.374 58.200 -0.119 0.000 1.036 199 S CB 1.191 64.337 63.200 -0.090 0.000 1.014 199 S HN 0.890 nan 8.310 nan 0.000 0.522 200 M N 1.228 120.680 119.600 -0.247 0.000 2.175 200 M HA -0.096 4.384 4.480 -0.000 0.000 0.264 200 M C 2.542 178.670 176.300 -0.287 0.000 1.063 200 M CA 1.456 56.599 55.300 -0.262 0.000 1.119 200 M CB -0.498 31.932 32.600 -0.282 0.000 1.377 200 M HN 0.930 nan 8.290 nan 0.000 0.415 201 Q N 0.809 120.380 119.800 -0.381 0.000 2.096 201 Q HA -0.236 4.103 4.340 -0.000 0.000 0.204 201 Q C 1.105 177.012 176.000 -0.155 0.000 0.982 201 Q CA 1.834 57.476 55.803 -0.269 0.000 0.850 201 Q CB 0.034 28.630 28.738 -0.237 0.000 0.901 201 Q HN 0.430 nan 8.270 nan 0.000 0.422 202 D N -0.287 120.024 120.400 -0.148 0.000 2.224 202 D HA -0.048 4.592 4.640 -0.000 0.000 0.205 202 D C 1.572 177.740 176.300 -0.221 0.000 0.965 202 D CA 1.059 54.983 54.000 -0.127 0.000 0.852 202 D CB -0.106 40.638 40.800 -0.094 0.000 0.947 202 D HN 0.396 nan 8.370 nan 0.000 0.494 203 A N 0.388 123.021 122.820 -0.313 0.000 1.898 203 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 203 A C 2.451 179.849 177.584 -0.309 0.000 1.181 203 A CA 0.944 52.660 52.037 -0.534 0.000 0.620 203 A CB -0.640 18.091 19.000 -0.449 0.000 0.819 203 A HN 0.125 nan 8.150 nan 0.000 0.442 204 V N -0.149 119.652 119.914 -0.189 0.000 2.261 204 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 204 V C 2.491 178.541 176.094 -0.074 0.000 1.047 204 V CA 1.943 64.178 62.300 -0.108 0.000 1.015 204 V CB -0.829 30.939 31.823 -0.093 0.000 0.642 204 V HN 0.591 nan 8.190 nan 0.000 0.446 205 L N 0.981 122.160 121.223 -0.073 0.000 2.043 205 L HA -0.252 4.088 4.340 -0.000 0.000 0.212 205 L C 2.235 179.091 176.870 -0.023 0.000 1.075 205 L CA 2.393 57.212 54.840 -0.036 0.000 0.752 205 L CB -1.165 40.879 42.059 -0.025 0.000 0.891 205 L HN 0.454 nan 8.230 nan 0.000 0.432 206 N N -0.570 118.102 118.700 -0.045 0.000 2.104 206 N HA -0.207 4.533 4.740 -0.000 0.000 0.190 206 N C 1.861 177.396 175.510 0.042 0.000 1.024 206 N CA 1.600 54.656 53.050 0.010 0.000 0.853 206 N CB -0.090 38.422 38.487 0.041 0.000 1.008 206 N HN 0.475 nan 8.380 nan 0.000 0.424 207 L N 0.206 121.447 121.223 0.029 0.000 2.291 207 L HA -0.051 4.289 4.340 -0.000 0.000 0.214 207 L C 1.710 178.592 176.870 0.020 0.000 1.120 207 L CA 0.394 55.257 54.840 0.037 0.000 0.799 207 L CB -0.067 42.014 42.059 0.035 0.000 0.925 207 L HN 0.315 nan 8.230 nan 0.000 0.446 208 C N -0.596 118.711 119.300 0.013 0.000 2.625 208 C HA 0.057 4.517 4.460 -0.000 0.000 0.285 208 C C 2.588 177.593 174.990 0.026 0.000 1.279 208 C CA -0.429 58.600 59.018 0.019 0.000 1.698 208 C CB -1.296 26.453 27.740 0.015 0.000 1.821 208 C HN 0.448 nan 8.230 nan 0.000 0.600 209 R N 1.962 122.477 120.500 0.025 0.000 2.119 209 R HA -0.183 4.157 4.340 -0.000 0.000 0.246 209 R C 2.068 178.385 176.300 0.028 0.000 1.146 209 R CA 2.514 58.629 56.100 0.025 0.000 0.962 209 R CB -0.264 30.052 30.300 0.026 0.000 0.863 209 R HN 0.518 nan 8.270 nan 0.000 0.442 210 V N -1.090 118.844 119.914 0.034 0.000 2.759 210 V HA -0.091 4.028 4.120 -0.000 0.000 0.256 210 V C 1.749 177.880 176.094 0.062 0.000 1.080 210 V CA 1.394 63.720 62.300 0.043 0.000 1.101 210 V CB -0.406 31.444 31.823 0.045 0.000 0.698 210 V HN 0.145 nan 8.190 nan 0.000 0.477 211 K N 0.515 120.954 120.400 0.065 0.000 2.217 211 K HA 0.086 4.405 4.320 -0.000 0.000 0.202 211 K C 1.989 178.618 176.600 0.049 0.000 1.051 211 K CA 1.232 57.567 56.287 0.081 0.000 0.952 211 K CB -0.657 31.894 32.500 0.085 0.000 0.736 211 K HN 0.525 nan 8.250 nan 0.000 0.453 212 L N 1.632 122.874 121.223 0.033 0.000 2.156 212 L HA -0.033 4.307 4.340 -0.000 0.000 0.208 212 L C 2.475 179.347 176.870 0.004 0.000 1.095 212 L CA 1.371 56.221 54.840 0.017 0.000 0.770 212 L CB -0.349 41.719 42.059 0.017 0.000 0.914 212 L HN 0.064 nan 8.230 nan 0.000 0.439 213 R N -0.415 120.091 120.500 0.010 0.000 2.080 213 R HA -0.196 4.144 4.340 -0.000 0.000 0.236 213 R C 1.724 178.012 176.300 -0.020 0.000 1.137 213 R CA 2.144 58.243 56.100 -0.002 0.000 0.943 213 R CB -0.392 29.916 30.300 0.014 0.000 0.846 213 R HN 0.377 nan 8.270 nan 0.000 0.431 214 D N 0.013 120.413 120.400 -0.001 0.000 2.178 214 D HA -0.159 4.481 4.640 -0.000 0.000 0.202 214 D C 1.900 178.141 176.300 -0.097 0.000 0.974 214 D CA 0.991 54.964 54.000 -0.044 0.000 0.841 214 D CB -0.222 40.592 40.800 0.024 0.000 0.953 214 D HN 0.252 nan 8.370 nan 0.000 0.478 215 Q N 0.950 120.718 119.800 -0.053 0.000 2.084 215 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 215 Q C 1.927 177.880 176.000 -0.077 0.000 0.978 215 Q CA 1.529 57.297 55.803 -0.058 0.000 0.844 215 Q CB -0.179 28.548 28.738 -0.020 0.000 0.898 215 Q HN 0.322 nan 8.270 nan 0.000 0.426 216 Q N -0.637 119.123 119.800 -0.066 0.000 2.167 216 Q HA -0.101 4.239 4.340 -0.000 0.000 0.202 216 Q C 2.190 178.122 176.000 -0.113 0.000 0.970 216 Q CA 1.248 57.007 55.803 -0.073 0.000 0.855 216 Q CB -0.050 28.657 28.738 -0.051 0.000 0.911 216 Q HN 0.309 nan 8.270 nan 0.000 0.438 217 R N 0.134 120.551 120.500 -0.138 0.000 2.075 217 R HA -0.135 4.204 4.340 -0.000 0.000 0.232 217 R C 2.242 178.373 176.300 -0.281 0.000 1.126 217 R CA 0.984 56.964 56.100 -0.201 0.000 0.963 217 R CB -0.354 29.820 30.300 -0.209 0.000 0.858 217 R HN 0.149 nan 8.270 nan 0.000 0.435 218 L N 1.476 122.535 121.223 -0.274 0.000 2.017 218 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 218 L C 1.284 178.023 176.870 -0.219 0.000 1.073 218 L CA 1.942 56.599 54.840 -0.305 0.000 0.745 218 L CB -0.495 41.418 42.059 -0.243 0.000 0.894 218 L HN 0.097 nan 8.230 nan 0.000 0.432 219 D N -0.512 119.799 120.400 -0.149 0.000 2.149 219 D HA -0.218 4.422 4.640 -0.000 0.000 0.198 219 D C 2.138 178.368 176.300 -0.116 0.000 0.990 219 D CA 1.267 55.205 54.000 -0.103 0.000 0.839 219 D CB 0.042 40.799 40.800 -0.072 0.000 0.948 219 D HN 0.228 nan 8.370 nan 0.000 0.460 220 K N 0.086 120.398 120.400 -0.148 0.000 2.098 220 K HA 0.113 4.433 4.320 -0.000 0.000 0.203 220 K C 1.960 178.450 176.600 -0.184 0.000 1.051 220 K CA 0.663 56.865 56.287 -0.142 0.000 0.957 220 K CB 0.013 32.427 32.500 -0.144 0.000 0.738 220 K HN 0.111 nan 8.250 nan 0.000 0.447 221 L N -2.315 118.724 121.223 -0.307 0.000 2.537 221 L HA 0.294 4.633 4.340 -0.000 0.000 0.224 221 L C 1.201 177.811 176.870 -0.432 0.000 1.065 221 L CA 0.451 55.017 54.840 -0.457 0.000 0.860 221 L CB 0.329 41.873 42.059 -0.858 0.000 1.086 221 L HN 0.485 nan 8.230 nan 0.000 0.482 222 G N 0.306 108.885 108.800 -0.367 0.000 2.199 222 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.254 222 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.254 222 G C 0.037 174.787 174.900 -0.250 0.000 0.982 222 G CA 0.410 45.394 45.100 -0.194 0.000 0.632 222 G HN 0.438 nan 8.290 nan 0.000 0.529 223 Y N -2.136 117.870 120.300 -0.491 0.000 2.624 223 Y HA 0.752 5.302 4.550 -0.000 0.000 0.334 223 Y C -0.894 174.429 175.900 -0.962 0.000 1.155 223 Y CA -2.195 55.279 58.100 -1.042 0.000 1.046 223 Y CB 0.938 39.156 38.460 -0.403 0.000 1.316 223 Y HN 0.158 nan 8.280 nan 0.000 0.457 224 L N 3.182 123.782 121.223 -1.039 0.000 2.342 224 L HA 0.390 4.730 4.340 -0.000 0.000 0.276 224 L C 1.076 177.897 176.870 -0.081 0.000 0.997 224 L CA -0.595 53.980 54.840 -0.443 0.000 0.838 224 L CB 1.849 43.586 42.059 -0.537 0.000 1.224 224 L HN 0.929 nan 8.230 nan 0.000 0.416 225 E N 3.427 123.511 120.200 -0.194 0.000 2.338 225 E HA -0.202 4.148 4.350 -0.000 0.000 0.197 225 E C 0.801 177.359 176.600 -0.071 0.000 1.007 225 E CA 1.319 57.396 56.400 -0.538 0.000 0.849 225 E CB 0.397 29.793 29.700 -0.505 0.000 0.774 225 E HN 0.781 nan 8.360 nan 0.000 0.506 226 E N -0.115 120.161 120.200 0.126 0.000 2.498 226 E HA -0.007 4.343 4.350 -0.000 0.000 0.203 226 E C -0.338 176.418 176.600 0.260 0.000 1.013 226 E CA -0.441 56.061 56.400 0.169 0.000 0.927 226 E CB -0.459 29.317 29.700 0.126 0.000 1.012 226 E HN 0.129 nan 8.360 nan 0.000 0.482 227 Y N 1.613 122.038 120.300 0.208 0.000 2.326 227 Y HA 0.206 4.755 4.550 -0.001 0.000 0.333 227 Y C -1.294 174.727 175.900 0.203 0.000 1.240 227 Y CA -1.951 56.303 58.100 0.258 0.000 1.365 227 Y CB 0.785 39.484 38.460 0.397 0.000 1.289 227 Y HN -0.117 nan 8.280 nan 0.000 0.548 228 P HA -0.192 nan 4.420 nan 0.000 0.217 228 P C 0.765 178.014 177.300 -0.084 0.000 1.148 228 P CA 1.627 64.782 63.100 0.092 0.000 0.828 228 P CB 0.294 31.989 31.700 -0.008 0.000 0.783 229 Q N -2.794 116.911 119.800 -0.158 0.000 2.436 229 Q HA -0.056 4.284 4.340 -0.000 0.000 0.209 229 Q C 0.386 176.317 176.000 -0.115 0.000 0.965 229 Q CA 0.601 56.173 55.803 -0.385 0.000 0.910 229 Q CB -0.614 27.587 28.738 -0.896 0.000 0.980 229 Q HN 0.358 nan 8.270 nan 0.000 0.491 230 Y N 1.176 121.529 120.300 0.088 0.000 2.323 230 Y HA 0.271 4.821 4.550 0.001 0.000 0.331 230 Y C -1.906 173.996 175.900 0.003 0.000 1.092 230 Y CA -2.616 55.586 58.100 0.169 0.000 1.150 230 Y CB 1.484 40.120 38.460 0.294 0.000 1.200 230 Y HN -0.049 nan 8.280 nan 0.000 0.472 231 P HA 0.112 nan 4.420 nan 0.000 0.267 231 P C -0.290 176.771 177.300 -0.399 0.000 1.289 231 P CA 0.584 63.109 63.100 -0.958 0.000 0.866 231 P CB 0.697 31.741 31.700 -1.093 0.000 1.309 232 N N -0.052 118.493 118.700 -0.259 0.000 2.299 232 N HA 0.077 4.817 4.740 -0.000 0.000 0.187 232 N C 1.225 176.641 175.510 -0.158 0.000 1.099 232 N CA 0.407 53.348 53.050 -0.182 0.000 0.867 232 N CB 0.549 38.947 38.487 -0.148 0.000 0.974 232 N HN 0.171 nan 8.380 nan 0.000 0.477 233 G N -0.562 108.124 108.800 -0.191 0.000 2.702 233 G HA2 0.382 4.342 3.960 -0.000 0.000 0.254 233 G HA3 0.382 4.342 3.960 -0.000 0.000 0.254 233 G C -0.771 174.004 174.900 -0.209 0.000 1.380 233 G CA -0.096 44.868 45.100 -0.225 0.000 1.042 233 G HN 0.019 nan 8.290 nan 0.000 0.557 234 T N -0.849 113.543 114.554 -0.271 0.000 2.876 234 T HA 0.646 4.996 4.350 -0.000 0.000 0.289 234 T C -1.557 172.959 174.700 -0.307 0.000 1.014 234 T CA -0.546 61.457 62.100 -0.162 0.000 0.986 234 T CB 0.683 69.514 68.868 -0.062 0.000 1.021 234 T HN 0.168 nan 8.240 nan 0.000 0.458 235 F N 2.158 122.140 119.950 0.053 0.000 2.450 235 F HA 0.692 5.219 4.527 0.001 0.000 0.332 235 F C 1.101 176.924 175.800 0.040 0.000 1.093 235 F CA -0.364 57.664 58.000 0.048 0.000 1.003 235 F CB 2.031 41.063 39.000 0.054 0.000 1.151 235 F HN 0.764 nan 8.300 nan 0.000 0.474 236 G N 0.438 109.366 108.800 0.214 0.000 2.857 236 G HA2 0.227 4.187 3.960 -0.000 0.000 0.217 236 G HA3 0.227 4.187 3.960 -0.000 0.000 0.217 236 G C -0.057 174.913 174.900 0.117 0.000 1.357 236 G CA -0.365 44.815 45.100 0.134 0.000 1.033 236 G HN 0.596 nan 8.290 nan 0.000 0.571 237 D N -0.984 119.462 120.400 0.077 0.000 2.348 237 D HA 0.319 4.958 4.640 -0.000 0.000 0.211 237 D C 0.941 177.266 176.300 0.040 0.000 0.998 237 D CA 0.514 54.544 54.000 0.049 0.000 0.873 237 D CB 0.135 40.957 40.800 0.036 0.000 0.925 237 D HN 0.472 nan 8.370 nan 0.000 0.524 238 A N 0.383 123.240 122.820 0.061 0.000 2.355 238 A HA 0.570 4.890 4.320 -0.000 0.000 0.324 238 A C -0.220 177.408 177.584 0.073 0.000 1.117 238 A CA -0.803 51.268 52.037 0.056 0.000 0.785 238 A CB 1.698 20.735 19.000 0.063 0.000 1.254 238 A HN 0.010 nan 8.150 nan 0.000 0.453 239 V N 4.128 124.071 119.914 0.049 0.000 2.539 239 V HA 0.104 4.224 4.120 -0.000 0.000 0.300 239 V C -1.490 174.693 176.094 0.149 0.000 1.019 239 V CA 0.008 62.343 62.300 0.058 0.000 1.160 239 V CB -0.198 31.661 31.823 0.060 0.000 0.901 239 V HN 0.852 nan 8.190 nan 0.000 0.481 240 P HA 0.372 nan 4.420 nan 0.000 0.281 240 P C -0.569 176.945 177.300 0.356 0.000 1.264 240 P CA -0.977 62.285 63.100 0.270 0.000 0.824 240 P CB 0.994 32.851 31.700 0.262 0.000 1.092 241 R N -0.340 120.338 120.500 0.297 0.000 2.537 241 R HA 0.382 4.722 4.340 -0.000 0.000 0.280 241 R C 1.226 177.764 176.300 0.397 0.000 1.058 241 R CA 0.293 56.549 56.100 0.260 0.000 1.057 241 R CB -0.064 30.331 30.300 0.159 0.000 0.973 241 R HN 0.668 nan 8.270 nan 0.000 0.438 242 G N 1.318 110.275 108.800 0.261 0.000 3.993 242 G HA2 0.319 4.278 3.960 -0.000 0.000 0.294 242 G HA3 0.319 4.278 3.960 -0.000 0.000 0.294 242 G C 0.809 175.845 174.900 0.226 0.000 1.043 242 G CA 0.147 45.454 45.100 0.345 0.000 0.839 242 G HN 0.917 nan 8.290 nan 0.000 0.516 243 G N 1.734 110.327 108.800 -0.345 0.000 2.685 243 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.329 243 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.329 243 G C 0.827 175.295 174.900 -0.721 0.000 1.271 243 G CA 0.616 44.965 45.100 -1.253 0.000 1.003 243 G HN 0.405 nan 8.290 nan 0.000 0.549 244 N N 2.440 120.567 118.700 -0.955 0.000 2.320 244 N HA 0.502 5.241 4.740 -0.000 0.000 0.237 244 N C 0.800 176.283 175.510 -0.044 0.000 1.129 244 N CA 0.733 53.365 53.050 -0.696 0.000 0.854 244 N CB 0.292 38.082 38.487 -1.162 0.000 1.083 244 N HN 0.874 nan 8.380 nan 0.000 0.504 245 A N -0.491 122.457 122.820 0.213 0.000 2.346 245 A HA 0.502 4.822 4.320 -0.000 0.000 0.252 245 A C 1.613 179.320 177.584 0.206 0.000 1.089 245 A CA 0.186 52.444 52.037 0.368 0.000 0.797 245 A CB 0.064 19.199 19.000 0.225 0.000 1.047 245 A HN 0.262 nan 8.150 nan 0.000 0.494 246 G N -0.437 108.498 108.800 0.226 0.000 2.408 246 G HA2 0.291 4.251 3.960 -0.000 0.000 0.217 246 G HA3 0.291 4.251 3.960 -0.000 0.000 0.217 246 G C 1.328 176.255 174.900 0.045 0.000 1.150 246 G CA 1.076 46.291 45.100 0.190 0.000 0.776 246 G HN 2.330 nan 8.290 nan 0.000 0.542 247 G N -1.599 107.202 108.800 0.002 0.000 2.199 247 G HA2 0.067 4.027 3.960 -0.000 0.000 0.254 247 G HA3 0.067 4.027 3.960 -0.000 0.000 0.254 247 G C 0.723 175.640 174.900 0.029 0.000 0.982 247 G CA 0.855 45.945 45.100 -0.018 0.000 0.632 247 G HN 1.404 nan 8.290 nan 0.000 0.529 248 G N -1.329 107.497 108.800 0.044 0.000 3.259 248 G HA2 0.621 4.581 3.960 -0.000 0.000 0.178 248 G HA3 0.621 4.581 3.960 -0.000 0.000 0.178 248 G C 1.088 176.026 174.900 0.064 0.000 1.129 248 G CA 0.654 45.786 45.100 0.053 0.000 0.816 248 G HN 1.171 nan 8.290 nan 0.000 0.634 249 G N -1.041 107.793 108.800 0.057 0.000 2.744 249 G HA2 0.290 4.250 3.960 -0.000 0.000 0.211 249 G HA3 0.290 4.250 3.960 -0.000 0.000 0.211 249 G C 0.303 175.243 174.900 0.066 0.000 1.143 249 G CA 0.543 45.676 45.100 0.055 0.000 0.788 249 G HN 0.243 nan 8.290 nan 0.000 0.534 250 Q N 0.805 120.656 119.800 0.086 0.000 2.309 250 Q HA 0.331 4.671 4.340 -0.000 0.000 0.270 250 Q C -2.660 173.438 176.000 0.164 0.000 1.023 250 Q CA -2.078 53.792 55.803 0.113 0.000 0.758 250 Q CB 2.524 31.332 28.738 0.117 0.000 1.247 250 Q HN 0.103 nan 8.270 nan 0.000 0.455 251 P HA 0.489 nan 4.420 nan 0.000 0.272 251 P C -0.183 177.349 177.300 0.388 0.000 1.223 251 P CA -0.025 63.219 63.100 0.241 0.000 0.784 251 P CB 1.071 32.863 31.700 0.155 0.000 0.923 252 G N -0.382 108.699 108.800 0.468 0.000 2.600 252 G HA2 0.554 4.514 3.960 -0.000 0.000 0.293 252 G HA3 0.554 4.514 3.960 -0.000 0.000 0.293 252 G C -2.496 172.418 174.900 0.024 0.000 1.408 252 G CA -0.588 44.711 45.100 0.331 0.000 0.782 252 G HN 0.578 nan 8.290 nan 0.000 0.482 253 W N -0.472 120.223 121.300 -1.008 0.000 2.989 253 W HA 0.435 5.094 4.660 -0.001 0.000 0.344 253 W C -1.563 174.467 176.519 -0.815 0.000 1.233 253 W CA -0.741 56.086 57.345 -0.864 0.000 1.187 253 W CB 1.434 30.099 29.460 -1.325 0.000 1.443 253 W HN 0.351 nan 8.180 nan 0.000 0.573 254 I N 4.772 124.974 120.570 -0.613 0.000 2.325 254 I HA 0.272 4.442 4.170 -0.000 0.000 0.291 254 I C -0.054 176.028 176.117 -0.057 0.000 1.019 254 I CA -0.348 60.789 61.300 -0.271 0.000 1.302 254 I CB 0.442 38.265 38.000 -0.296 0.000 1.401 254 I HN 0.149 nan 8.210 nan 0.000 0.485 255 L N 6.407 127.679 121.223 0.082 0.000 2.334 255 L HA 0.432 4.772 4.340 -0.000 0.000 0.276 255 L C 0.284 177.215 176.870 0.102 0.000 1.014 255 L CA -1.085 53.821 54.840 0.109 0.000 0.815 255 L CB 1.742 43.832 42.059 0.052 0.000 1.268 255 L HN 0.453 nan 8.230 nan 0.000 0.428 256 K N 1.301 121.630 120.400 -0.118 0.000 2.412 256 K HA 0.256 4.575 4.320 -0.000 0.000 0.281 256 K C -0.667 175.758 176.600 -0.291 0.000 1.027 256 K CA -0.261 55.721 56.287 -0.508 0.000 0.989 256 K CB 0.593 32.513 32.500 -0.967 0.000 0.935 256 K HN 0.510 nan 8.250 nan 0.000 0.475 257 C N 1.876 121.021 119.300 -0.258 0.000 2.564 257 C HA 0.338 4.798 4.460 -0.000 0.000 0.381 257 C C 0.218 175.212 174.990 0.006 0.000 1.297 257 C CA -1.028 57.925 59.018 -0.110 0.000 1.846 257 C CB 1.125 28.814 27.740 -0.085 0.000 2.198 257 C HN 0.783 nan 8.230 nan 0.000 0.507 258 K N 0.219 120.613 120.400 -0.010 0.000 2.448 258 K HA 0.377 4.697 4.320 -0.000 0.000 0.278 258 K C 1.024 177.625 176.600 0.002 0.000 1.009 258 K CA 1.436 57.733 56.287 0.017 0.000 0.995 258 K CB -0.171 32.313 32.500 -0.025 0.000 0.917 258 K HN 1.116 nan 8.250 nan 0.000 0.481 259 G N 4.321 113.099 108.800 -0.037 0.000 2.195 259 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.224 259 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.224 259 G C 0.659 175.484 174.900 -0.124 0.000 0.990 259 G CA 0.320 45.368 45.100 -0.087 0.000 0.639 259 G HN 0.892 nan 8.290 nan 0.000 0.514 260 W N 1.372 122.561 121.300 -0.184 0.000 2.392 260 W HA 0.058 4.718 4.660 0.000 0.000 0.279 260 W C 1.150 177.611 176.519 -0.097 0.000 1.225 260 W CA 1.491 58.688 57.345 -0.247 0.000 1.233 260 W CB -0.599 28.564 29.460 -0.496 0.000 1.122 260 W HN 0.377 nan 8.180 nan 0.000 0.561 261 E N 0.962 120.530 120.200 -1.054 0.000 2.204 261 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 261 E C 2.063 178.447 176.600 -0.360 0.000 0.989 261 E CA 2.800 58.614 56.400 -0.977 0.000 0.824 261 E CB -0.431 28.674 29.700 -0.991 0.000 0.756 261 E HN 0.397 nan 8.360 nan 0.000 0.477 262 T N -2.976 111.436 114.554 -0.237 0.000 3.043 262 T HA 0.120 4.470 4.350 -0.000 0.000 0.272 262 T C -0.120 174.560 174.700 -0.033 0.000 0.990 262 T CA -0.431 61.603 62.100 -0.109 0.000 0.897 262 T CB 0.336 69.138 68.868 -0.109 0.000 1.111 262 T HN -0.104 nan 8.240 nan 0.000 0.529 263 D N 2.231 122.633 120.400 0.002 0.000 2.469 263 D HA 0.346 4.986 4.640 -0.000 0.000 0.251 263 D C -2.051 174.340 176.300 0.152 0.000 1.173 263 D CA -2.431 51.602 54.000 0.056 0.000 0.882 263 D CB 2.416 43.238 40.800 0.037 0.000 1.129 263 D HN -0.078 nan 8.370 nan 0.000 0.549 264 P HA 0.012 nan 4.420 nan 0.000 0.234 264 P C 0.109 177.610 177.300 0.336 0.000 1.167 264 P CA 0.401 63.659 63.100 0.263 0.000 0.763 264 P CB 0.428 32.208 31.700 0.133 0.000 0.835 265 N N -0.260 118.606 118.700 0.277 0.000 2.234 265 N HA 0.149 4.888 4.740 -0.000 0.000 0.227 265 N C 0.259 175.938 175.510 0.283 0.000 1.151 265 N CA -0.139 53.080 53.050 0.283 0.000 0.865 265 N CB 0.653 39.223 38.487 0.139 0.000 1.066 265 N HN 0.030 nan 8.380 nan 0.000 0.515 266 A N 0.977 123.935 122.820 0.231 0.000 3.056 266 A HA 0.409 4.729 4.320 -0.000 0.000 0.274 266 A C -0.899 176.561 177.584 -0.206 0.000 1.661 266 A CA 0.086 52.126 52.037 0.004 0.000 1.363 266 A CB -0.677 18.305 19.000 -0.030 0.000 1.139 266 A HN 0.177 nan 8.150 nan 0.000 0.598 267 Y N -0.537 119.779 120.300 0.026 0.000 2.638 267 Y HA 0.628 5.178 4.550 -0.000 0.000 0.335 267 Y C -0.060 175.849 175.900 0.014 0.000 1.155 267 Y CA -1.120 56.989 58.100 0.014 0.000 1.046 267 Y CB 1.670 40.133 38.460 0.005 0.000 1.303 267 Y HN 0.524 nan 8.280 nan 0.000 0.460 268 I N -1.565 119.135 120.570 0.217 0.000 3.042 268 I HA 0.612 4.782 4.170 -0.000 0.000 0.310 268 I C -1.884 174.355 176.117 0.203 0.000 1.117 268 I CA -1.226 60.187 61.300 0.188 0.000 1.003 268 I CB 2.655 40.769 38.000 0.189 0.000 1.228 268 I HN 0.575 nan 8.210 nan 0.000 0.443 269 Y N 3.097 123.468 120.300 0.120 0.000 2.308 269 Y HA 0.583 5.133 4.550 -0.000 0.000 0.329 269 Y C -1.445 174.593 175.900 0.230 0.000 1.111 269 Y CA -0.462 57.711 58.100 0.122 0.000 1.179 269 Y CB 1.404 39.894 38.460 0.050 0.000 1.201 269 Y HN 0.559 nan 8.280 nan 0.000 0.483 270 F N 4.450 124.170 119.950 -0.383 0.000 2.562 270 F HA 0.425 4.952 4.527 -0.000 0.000 0.319 270 F C -0.913 174.864 175.800 -0.038 0.000 1.154 270 F CA -0.471 57.495 58.000 -0.056 0.000 0.931 270 F CB 1.307 40.332 39.000 0.041 0.000 1.198 270 F HN 0.370 nan 8.300 nan 0.000 0.444 271 T N 7.325 121.954 114.554 0.125 0.000 2.767 271 T HA 0.458 4.807 4.350 -0.000 0.000 0.284 271 T C 0.071 174.906 174.700 0.225 0.000 0.973 271 T CA -0.345 61.907 62.100 0.254 0.000 0.996 271 T CB 0.840 69.827 68.868 0.199 0.000 0.927 271 T HN 0.388 nan 8.240 nan 0.000 0.456 272 I N 3.890 124.711 120.570 0.419 0.000 2.278 272 I HA 0.164 4.334 4.170 -0.000 0.000 0.296 272 I C 0.743 177.003 176.117 0.239 0.000 1.121 272 I CA -0.425 61.102 61.300 0.378 0.000 1.267 272 I CB 0.282 38.501 38.000 0.364 0.000 1.447 272 I HN 0.328 nan 8.210 nan 0.000 0.509 273 Q N 5.804 125.720 119.800 0.193 0.000 2.267 273 Q HA 0.067 4.406 4.340 -0.000 0.000 0.255 273 Q C 0.912 177.005 176.000 0.156 0.000 0.923 273 Q CA 0.144 56.031 55.803 0.141 0.000 0.925 273 Q CB 1.459 30.257 28.738 0.099 0.000 1.195 273 Q HN 0.666 nan 8.270 nan 0.000 0.417 274 E N 2.602 122.869 120.200 0.111 0.000 2.118 274 E HA -0.242 4.107 4.350 -0.000 0.000 0.195 274 E C 0.550 177.224 176.600 0.123 0.000 0.992 274 E CA 1.292 57.748 56.400 0.093 0.000 0.804 274 E CB 0.478 30.209 29.700 0.052 0.000 0.741 274 E HN 0.545 nan 8.360 nan 0.000 0.458 275 Q N -0.152 119.713 119.800 0.108 0.000 2.444 275 Q HA 0.019 4.359 4.340 -0.000 0.000 0.206 275 Q C 0.481 176.559 176.000 0.130 0.000 0.948 275 Q CA 0.478 56.344 55.803 0.105 0.000 0.946 275 Q CB 0.267 29.047 28.738 0.070 0.000 1.027 275 Q HN 0.079 nan 8.270 nan 0.000 0.513 276 N N -0.921 117.880 118.700 0.168 0.000 2.291 276 N HA 0.022 4.762 4.740 -0.000 0.000 0.244 276 N C 0.060 175.707 175.510 0.227 0.000 1.216 276 N CA -0.212 52.932 53.050 0.156 0.000 0.879 276 N CB 0.049 38.603 38.487 0.111 0.000 1.167 276 N HN 0.332 nan 8.380 nan 0.000 0.515 277 W N 0.748 122.094 121.300 0.076 0.000 2.355 277 W HA -0.188 4.472 4.660 -0.001 0.000 0.309 277 W C 1.572 178.156 176.519 0.109 0.000 1.206 277 W CA 1.420 58.824 57.345 0.098 0.000 1.284 277 W CB 0.085 29.599 29.460 0.090 0.000 1.145 277 W HN 0.311 nan 8.180 nan 0.000 0.502 278 E N 0.443 120.655 120.200 0.019 0.000 2.070 278 E HA -0.296 4.053 4.350 -0.000 0.000 0.197 278 E C 1.831 178.368 176.600 -0.105 0.000 1.004 278 E CA 1.860 58.218 56.400 -0.070 0.000 0.805 278 E CB -0.433 29.292 29.700 0.041 0.000 0.744 278 E HN 0.119 nan 8.360 nan 0.000 0.451 279 N N -0.470 118.221 118.700 -0.015 0.000 2.270 279 N HA -0.072 4.667 4.740 -0.000 0.000 0.181 279 N C 1.706 177.203 175.510 -0.022 0.000 1.016 279 N CA 1.474 54.566 53.050 0.070 0.000 0.870 279 N CB -0.333 38.226 38.487 0.120 0.000 0.979 279 N HN 0.182 nan 8.380 nan 0.000 0.431 280 T N 0.437 114.921 114.554 -0.117 0.000 2.777 280 T HA -0.089 4.260 4.350 -0.000 0.000 0.266 280 T C 2.214 176.710 174.700 -0.340 0.000 1.040 280 T CA 0.840 62.848 62.100 -0.155 0.000 1.141 280 T CB -0.405 68.426 68.868 -0.063 0.000 0.868 280 T HN 0.303 nan 8.240 nan 0.000 0.444 281 C N 1.425 120.387 119.300 -0.564 0.000 2.413 281 C HA -0.057 4.403 4.460 -0.000 0.000 0.276 281 C C 2.731 177.508 174.990 -0.356 0.000 1.236 281 C CA 0.601 59.317 59.018 -0.503 0.000 1.735 281 C CB -0.798 26.631 27.740 -0.518 0.000 2.031 281 C HN 0.588 nan 8.230 nan 0.000 0.474 282 K N 1.064 121.302 120.400 -0.270 0.000 2.097 282 K HA -0.089 4.231 4.320 -0.000 0.000 0.206 282 K C 2.247 178.557 176.600 -0.484 0.000 1.049 282 K CA 1.491 57.648 56.287 -0.217 0.000 0.933 282 K CB -0.324 32.190 32.500 0.023 0.000 0.717 282 K HN 0.486 nan 8.250 nan 0.000 0.442 283 A N 1.812 124.153 122.820 -0.797 0.000 1.940 283 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 283 A C 2.008 179.255 177.584 -0.562 0.000 1.176 283 A CA 1.530 52.843 52.037 -1.206 0.000 0.631 283 A CB -0.665 17.751 19.000 -0.973 0.000 0.814 283 A HN 0.500 nan 8.150 nan 0.000 0.446 284 I N -4.574 115.758 120.570 -0.398 0.000 3.904 284 I HA 0.518 4.687 4.170 -0.000 0.000 0.333 284 I C 0.955 176.886 176.117 -0.309 0.000 1.361 284 I CA 0.298 61.415 61.300 -0.305 0.000 1.116 284 I CB -0.308 37.562 38.000 -0.216 0.000 1.028 284 I HN 0.296 nan 8.210 nan 0.000 0.398 285 G N 2.534 111.149 108.800 -0.307 0.000 2.338 285 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.296 285 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.296 285 G C 0.083 174.785 174.900 -0.331 0.000 1.040 285 G CA 0.051 44.994 45.100 -0.261 0.000 1.004 285 G HN 0.477 nan 8.290 nan 0.000 0.509 286 K N -0.005 120.144 120.400 -0.419 0.000 3.022 286 K HA 0.220 4.540 4.320 -0.000 0.000 0.178 286 K C -1.500 174.869 176.600 -0.385 0.000 1.089 286 K CA -1.274 54.663 56.287 -0.582 0.000 0.916 286 K CB 1.976 33.811 32.500 -1.108 0.000 1.159 286 K HN 0.230 nan 8.250 nan 0.000 0.592 287 P HA -0.202 nan 4.420 nan 0.000 0.220 287 P C 0.958 178.218 177.300 -0.066 0.000 1.148 287 P CA 1.166 64.187 63.100 -0.132 0.000 0.803 287 P CB 0.334 31.978 31.700 -0.094 0.000 0.782 288 E N -1.315 118.830 120.200 -0.091 0.000 2.418 288 E HA -0.159 4.191 4.350 -0.000 0.000 0.197 288 E C 1.160 177.860 176.600 0.167 0.000 1.026 288 E CA 0.696 57.104 56.400 0.013 0.000 0.862 288 E CB -0.870 28.821 29.700 -0.015 0.000 0.799 288 E HN 0.267 nan 8.360 nan 0.000 0.518 289 W N 1.091 122.303 121.300 -0.147 0.000 3.139 289 W HA 0.331 4.991 4.660 -0.000 0.000 0.260 289 W C 1.931 178.557 176.519 0.178 0.000 1.312 289 W CA -0.684 56.584 57.345 -0.130 0.000 1.606 289 W CB -0.360 28.935 29.460 -0.274 0.000 1.118 289 W HN 0.024 nan 8.180 nan 0.000 0.675 290 I N 0.302 121.033 120.570 0.269 0.000 2.179 290 I HA -0.268 3.902 4.170 -0.000 0.000 0.242 290 I C 2.286 178.600 176.117 0.329 0.000 1.088 290 I CA 2.222 63.664 61.300 0.237 0.000 1.357 290 I CB -0.660 37.389 38.000 0.083 0.000 1.051 290 I HN -0.092 nan 8.210 nan 0.000 0.409 291 T N -3.506 111.188 114.554 0.234 0.000 3.044 291 T HA 0.085 4.435 4.350 -0.000 0.000 0.260 291 T C 0.529 175.340 174.700 0.185 0.000 1.019 291 T CA -0.456 61.757 62.100 0.189 0.000 0.921 291 T CB -0.222 68.721 68.868 0.125 0.000 1.053 291 T HN 0.058 nan 8.240 nan 0.000 0.533 292 D N 3.601 124.142 120.400 0.235 0.000 2.417 292 D HA 0.095 4.735 4.640 -0.000 0.000 0.250 292 D C -1.111 175.312 176.300 0.205 0.000 1.166 292 D CA -1.957 52.178 54.000 0.226 0.000 0.881 292 D CB 1.819 42.799 40.800 0.301 0.000 1.164 292 D HN 0.075 nan 8.370 nan 0.000 0.467 293 P HA -0.099 nan 4.420 nan 0.000 0.222 293 P C 0.854 178.167 177.300 0.022 0.000 1.147 293 P CA 0.694 63.833 63.100 0.065 0.000 0.790 293 P CB 0.128 31.851 31.700 0.039 0.000 0.780 294 A N -1.782 121.051 122.820 0.022 0.000 2.168 294 A HA -0.092 4.228 4.320 -0.000 0.000 0.215 294 A C 1.300 178.704 177.584 -0.300 0.000 1.152 294 A CA 0.979 52.924 52.037 -0.153 0.000 0.716 294 A CB -1.079 17.766 19.000 -0.257 0.000 0.794 294 A HN 0.193 nan 8.150 nan 0.000 0.465 295 Y N -1.525 118.701 120.300 -0.123 0.000 2.448 295 Y HA 0.060 4.610 4.550 -0.001 0.000 0.257 295 Y C 2.372 177.951 175.900 -0.535 0.000 1.089 295 Y CA 0.350 58.267 58.100 -0.304 0.000 1.245 295 Y CB 0.233 38.620 38.460 -0.120 0.000 1.282 295 Y HN 0.320 nan 8.280 nan 0.000 0.529 296 S N -0.625 115.015 115.700 -0.099 0.000 2.527 296 S HA 0.041 4.510 4.470 -0.000 0.000 0.222 296 S C 0.877 175.338 174.600 -0.232 0.000 0.985 296 S CA 0.599 58.743 58.200 -0.093 0.000 0.921 296 S CB -0.687 62.586 63.200 0.120 0.000 0.772 296 S HN 0.279 nan 8.310 nan 0.000 0.529 297 T N -3.019 111.375 114.554 -0.265 0.000 2.916 297 T HA 0.828 5.177 4.350 -0.000 0.000 0.292 297 T C 1.060 175.595 174.700 -0.275 0.000 1.064 297 T CA -0.398 61.584 62.100 -0.197 0.000 1.011 297 T CB 1.489 70.318 68.868 -0.065 0.000 1.152 297 T HN 0.075 nan 8.240 nan 0.000 0.510 298 A N 0.330 123.041 122.820 -0.182 0.000 1.933 298 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 298 A C 2.071 179.566 177.584 -0.148 0.000 1.175 298 A CA 2.225 54.149 52.037 -0.188 0.000 0.628 298 A CB -1.531 17.415 19.000 -0.090 0.000 0.814 298 A HN 1.139 nan 8.150 nan 0.000 0.444 299 H N -0.332 118.654 119.070 -0.140 0.000 2.387 299 H HA 0.080 4.636 4.556 -0.000 0.000 0.299 299 H C 2.014 177.267 175.328 -0.125 0.000 1.090 299 H CA 1.849 57.842 56.048 -0.091 0.000 1.332 299 H CB -0.135 29.594 29.762 -0.055 0.000 1.386 299 H HN 0.375 nan 8.280 nan 0.000 0.516 300 A N 0.768 123.536 122.820 -0.087 0.000 1.968 300 A HA -0.042 4.277 4.320 -0.000 0.000 0.217 300 A C 2.386 179.784 177.584 -0.310 0.000 1.169 300 A CA 1.072 53.016 52.037 -0.155 0.000 0.638 300 A CB -0.298 18.650 19.000 -0.087 0.000 0.812 300 A HN 0.476 nan 8.150 nan 0.000 0.446 301 R N -0.964 119.248 120.500 -0.479 0.000 2.115 301 R HA -0.132 4.208 4.340 -0.000 0.000 0.230 301 R C 2.387 178.268 176.300 -0.699 0.000 1.111 301 R CA 1.341 56.967 56.100 -0.790 0.000 0.976 301 R CB -0.214 29.604 30.300 -0.803 0.000 0.870 301 R HN 0.609 nan 8.270 nan 0.000 0.445 302 Q N 1.386 120.919 119.800 -0.445 0.000 2.077 302 Q HA -0.117 4.223 4.340 -0.000 0.000 0.206 302 Q C -0.945 174.878 176.000 -0.294 0.000 0.989 302 Q CA 1.857 57.464 55.803 -0.327 0.000 0.853 302 Q CB -1.041 27.599 28.738 -0.163 0.000 0.907 302 Q HN 0.167 nan 8.270 nan 0.000 0.418 303 P HA -0.074 nan 4.420 nan 0.000 0.222 303 P C -0.416 176.822 177.300 -0.104 0.000 1.147 303 P CA 1.591 64.586 63.100 -0.175 0.000 0.790 303 P CB -0.218 31.375 31.700 -0.178 0.000 0.780 304 H N -3.705 115.182 119.070 -0.304 0.000 2.562 304 H HA 0.393 4.949 4.556 -0.000 0.000 0.249 304 H C 1.201 176.334 175.328 -0.324 0.000 1.195 304 H CA -0.502 55.382 56.048 -0.272 0.000 0.938 304 H CB -0.813 28.766 29.762 -0.305 0.000 1.891 304 H HN -0.050 nan 8.280 nan 0.000 0.595 305 I N -0.124 120.112 120.570 -0.556 0.000 2.546 305 I HA -0.130 4.040 4.170 -0.000 0.000 0.255 305 I C 0.840 176.526 176.117 -0.718 0.000 1.163 305 I CA 0.850 61.688 61.300 -0.770 0.000 1.457 305 I CB -0.004 37.520 38.000 -0.794 0.000 1.092 305 I HN 0.335 nan 8.210 nan 0.000 0.434 306 F N 0.917 120.730 119.950 -0.229 0.000 2.325 306 F HA -0.189 4.338 4.527 -0.000 0.000 0.299 306 F C 2.079 177.848 175.800 -0.051 0.000 1.090 306 F CA 0.763 58.696 58.000 -0.111 0.000 1.392 306 F CB -0.321 38.592 39.000 -0.145 0.000 1.053 306 F HN 0.132 nan 8.300 nan 0.000 0.521 307 D N 0.528 120.969 120.400 0.068 0.000 2.144 307 D HA -0.131 4.509 4.640 -0.000 0.000 0.200 307 D C 2.357 178.726 176.300 0.115 0.000 0.978 307 D CA 1.186 55.251 54.000 0.109 0.000 0.833 307 D CB -0.317 40.564 40.800 0.136 0.000 0.961 307 D HN 0.284 nan 8.370 nan 0.000 0.470 308 I N -0.089 120.444 120.570 -0.061 0.000 2.252 308 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 308 I C 2.141 178.262 176.117 0.005 0.000 1.102 308 I CA 0.793 62.083 61.300 -0.016 0.000 1.385 308 I CB -0.219 37.605 38.000 -0.293 0.000 1.064 308 I HN -0.099 nan 8.210 nan 0.000 0.414 309 F N 0.769 120.697 119.950 -0.037 0.000 2.171 309 F HA -0.211 4.315 4.527 -0.001 0.000 0.300 309 F C 2.665 178.457 175.800 -0.012 0.000 1.090 309 F CA 0.834 58.790 58.000 -0.073 0.000 1.293 309 F CB -0.407 38.521 39.000 -0.119 0.000 1.013 309 F HN 0.023 nan 8.300 nan 0.000 0.486 310 A N -0.084 122.864 122.820 0.214 0.000 1.940 310 A HA -0.279 4.041 4.320 -0.000 0.000 0.219 310 A C 1.951 179.610 177.584 0.126 0.000 1.176 310 A CA 2.115 54.240 52.037 0.148 0.000 0.631 310 A CB -0.707 18.377 19.000 0.139 0.000 0.814 310 A HN 0.363 nan 8.150 nan 0.000 0.446 311 E N 0.034 120.334 120.200 0.167 0.000 2.106 311 E HA -0.081 4.269 4.350 -0.000 0.000 0.192 311 E C 1.691 178.339 176.600 0.079 0.000 0.984 311 E CA 1.145 57.636 56.400 0.151 0.000 0.806 311 E CB -0.341 29.544 29.700 0.309 0.000 0.750 311 E HN 0.647 nan 8.360 nan 0.000 0.458 312 I N 0.444 121.050 120.570 0.061 0.000 2.226 312 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 312 I C 2.410 178.542 176.117 0.026 0.000 1.100 312 I CA 1.298 62.584 61.300 -0.024 0.000 1.374 312 I CB -0.225 37.594 38.000 -0.300 0.000 1.057 312 I HN 0.197 nan 8.210 nan 0.000 0.413 313 E N 1.178 121.390 120.200 0.021 0.000 2.160 313 E HA -0.247 4.103 4.350 -0.000 0.000 0.195 313 E C 2.054 178.656 176.600 0.003 0.000 0.991 313 E CA 1.092 57.493 56.400 0.003 0.000 0.810 313 E CB 0.124 29.826 29.700 0.002 0.000 0.742 313 E HN 0.362 nan 8.360 nan 0.000 0.466 314 K N -0.491 119.930 120.400 0.034 0.000 2.160 314 K HA -0.230 4.090 4.320 -0.000 0.000 0.206 314 K C 2.016 178.644 176.600 0.048 0.000 1.047 314 K CA 1.597 57.906 56.287 0.036 0.000 0.930 314 K CB -0.269 32.254 32.500 0.038 0.000 0.720 314 K HN 0.274 nan 8.250 nan 0.000 0.450 315 Y N 1.628 121.912 120.300 -0.028 0.000 2.176 315 Y HA -0.193 4.356 4.550 -0.000 0.000 0.291 315 Y C 2.529 178.427 175.900 -0.003 0.000 1.122 315 Y CA 1.905 59.989 58.100 -0.027 0.000 1.128 315 Y CB -0.773 37.674 38.460 -0.022 0.000 1.005 315 Y HN 0.114 nan 8.280 nan 0.000 0.509 316 T N -1.091 113.304 114.554 -0.264 0.000 2.788 316 T HA -0.185 4.165 4.350 -0.000 0.000 0.268 316 T C 1.920 176.452 174.700 -0.279 0.000 1.044 316 T CA 1.717 63.597 62.100 -0.367 0.000 1.139 316 T CB -1.599 67.235 68.868 -0.057 0.000 0.867 316 T HN 0.379 nan 8.240 nan 0.000 0.454 317 V N 1.511 121.330 119.914 -0.159 0.000 2.828 317 V HA -0.089 4.031 4.120 -0.000 0.000 0.260 317 V C 2.487 178.537 176.094 -0.073 0.000 1.101 317 V CA 1.850 64.115 62.300 -0.060 0.000 1.123 317 V CB -2.026 29.822 31.823 0.042 0.000 0.704 317 V HN 0.772 nan 8.190 nan 0.000 0.493 318 T N -1.006 113.442 114.554 -0.176 0.000 3.100 318 T HA 0.409 4.759 4.350 -0.000 0.000 0.253 318 T C 0.393 175.002 174.700 -0.152 0.000 1.118 318 T CA 0.522 62.537 62.100 -0.141 0.000 1.058 318 T CB -0.551 68.235 68.868 -0.137 0.000 0.953 318 T HN 0.714 nan 8.240 nan 0.000 0.515 319 I N -1.404 119.039 120.570 -0.211 0.000 3.074 319 I HA 0.662 4.832 4.170 -0.000 0.000 0.310 319 I C -0.786 175.280 176.117 -0.084 0.000 1.153 319 I CA -1.874 59.342 61.300 -0.139 0.000 0.993 319 I CB 1.124 39.022 38.000 -0.169 0.000 1.237 319 I HN -0.168 nan 8.210 nan 0.000 0.443 320 D N 1.803 122.192 120.400 -0.019 0.000 2.423 320 D HA 0.094 4.734 4.640 -0.000 0.000 0.238 320 D C 1.257 177.562 176.300 0.008 0.000 1.142 320 D CA 0.081 54.092 54.000 0.018 0.000 0.884 320 D CB 1.105 41.958 40.800 0.088 0.000 1.199 320 D HN 0.741 nan 8.370 nan 0.000 0.438 321 K N 2.184 122.557 120.400 -0.044 0.000 2.152 321 K HA -0.270 4.049 4.320 -0.000 0.000 0.206 321 K C 1.320 177.889 176.600 -0.052 0.000 1.048 321 K CA 1.489 57.731 56.287 -0.075 0.000 0.933 321 K CB -0.413 31.996 32.500 -0.152 0.000 0.721 321 K HN 0.576 nan 8.250 nan 0.000 0.447 322 H N 1.069 120.184 119.070 0.075 0.000 2.357 322 H HA 0.001 4.557 4.556 -0.000 0.000 0.301 322 H C 1.829 177.218 175.328 0.102 0.000 1.082 322 H CA 1.731 57.828 56.048 0.082 0.000 1.342 322 H CB 0.078 29.878 29.762 0.063 0.000 1.389 322 H HN 0.420 nan 8.280 nan 0.000 0.511 323 E N 0.554 120.883 120.200 0.215 0.000 2.106 323 E HA -0.127 4.223 4.350 -0.000 0.000 0.192 323 E C 2.477 179.222 176.600 0.242 0.000 0.984 323 E CA 0.595 57.108 56.400 0.188 0.000 0.806 323 E CB -0.084 29.694 29.700 0.129 0.000 0.750 323 E HN 0.491 nan 8.360 nan 0.000 0.458 324 A N 1.118 124.064 122.820 0.210 0.000 1.892 324 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 324 A C 2.515 180.314 177.584 0.360 0.000 1.188 324 A CA 1.561 53.788 52.037 0.318 0.000 0.631 324 A CB -0.808 18.298 19.000 0.177 0.000 0.822 324 A HN 0.137 nan 8.150 nan 0.000 0.447 325 V N -0.464 119.597 119.914 0.245 0.000 2.379 325 V HA -0.168 3.952 4.120 -0.000 0.000 0.245 325 V C 3.046 179.258 176.094 0.197 0.000 1.044 325 V CA 1.746 64.168 62.300 0.203 0.000 1.036 325 V CB -1.137 30.779 31.823 0.155 0.000 0.664 325 V HN 0.638 nan 8.190 nan 0.000 0.453 326 A N -0.816 122.130 122.820 0.210 0.000 1.908 326 A HA -0.294 4.026 4.320 -0.000 0.000 0.218 326 A C 2.159 179.879 177.584 0.226 0.000 1.181 326 A CA 2.324 54.472 52.037 0.185 0.000 0.627 326 A CB -0.758 18.347 19.000 0.175 0.000 0.818 326 A HN 0.690 nan 8.150 nan 0.000 0.445 327 Y N 0.308 120.715 120.300 0.178 0.000 2.130 327 Y HA -0.103 4.447 4.550 0.000 0.000 0.287 327 Y C 2.019 178.068 175.900 0.248 0.000 1.124 327 Y CA 1.827 60.051 58.100 0.206 0.000 1.118 327 Y CB -0.288 38.306 38.460 0.223 0.000 0.994 327 Y HN 0.184 nan 8.280 nan 0.000 0.497 328 L N -0.257 121.044 121.223 0.131 0.000 2.127 328 L HA -0.253 4.086 4.340 -0.000 0.000 0.211 328 L C 2.307 179.183 176.870 0.010 0.000 1.089 328 L CA 1.773 56.614 54.840 0.002 0.000 0.757 328 L CB -0.980 41.172 42.059 0.156 0.000 0.899 328 L HN 0.282 nan 8.230 nan 0.000 0.434 329 T N -1.077 113.497 114.554 0.033 0.000 2.803 329 T HA -0.176 4.174 4.350 -0.000 0.000 0.269 329 T C 1.856 176.537 174.700 -0.031 0.000 1.052 329 T CA 0.999 63.103 62.100 0.006 0.000 1.136 329 T CB -0.121 68.765 68.868 0.029 0.000 0.864 329 T HN 0.329 nan 8.240 nan 0.000 0.467 330 Q N 0.074 119.840 119.800 -0.057 0.000 2.364 330 Q HA 0.071 4.411 4.340 -0.000 0.000 0.207 330 Q C 1.060 176.827 176.000 -0.387 0.000 0.970 330 Q CA 0.816 56.502 55.803 -0.195 0.000 0.888 330 Q CB -0.323 28.278 28.738 -0.228 0.000 0.951 330 Q HN 0.580 nan 8.270 nan 0.000 0.469 331 F N 0.932 120.741 119.950 -0.234 0.000 2.664 331 F HA 0.092 4.618 4.527 -0.001 0.000 0.301 331 F C 0.099 175.815 175.800 -0.140 0.000 1.126 331 F CA -0.167 57.710 58.000 -0.205 0.000 1.373 331 F CB 0.336 39.169 39.000 -0.278 0.000 1.042 331 F HN -0.034 nan 8.300 nan 0.000 0.535 332 D N 0.168 120.555 120.400 -0.021 0.000 3.076 332 D HA -0.225 4.415 4.640 -0.000 0.000 0.218 332 D C 0.097 176.380 176.300 -0.027 0.000 1.156 332 D CA 0.677 54.662 54.000 -0.024 0.000 0.921 332 D CB -1.523 39.266 40.800 -0.018 0.000 1.113 332 D HN 0.265 nan 8.370 nan 0.000 0.418 333 I N 1.428 121.963 120.570 -0.058 0.000 2.396 333 I HA 0.147 4.317 4.170 -0.000 0.000 0.289 333 I C -1.911 174.101 176.117 -0.176 0.000 1.056 333 I CA -1.557 59.636 61.300 -0.179 0.000 1.365 333 I CB 0.736 38.528 38.000 -0.347 0.000 1.407 333 I HN -0.320 nan 8.210 nan 0.000 0.509 334 P HA 0.112 nan 4.420 nan 0.000 0.271 334 P C -1.006 176.256 177.300 -0.064 0.000 1.233 334 P CA -0.222 62.846 63.100 -0.053 0.000 0.764 334 P CB 0.333 32.042 31.700 0.015 0.000 0.825 335 C N 1.564 120.867 119.300 0.004 0.000 3.307 335 C HA 0.941 5.401 4.460 -0.000 0.000 0.333 335 C C -1.154 173.899 174.990 0.104 0.000 1.291 335 C CA -0.962 58.099 59.018 0.072 0.000 1.273 335 C CB 1.184 28.943 27.740 0.031 0.000 1.580 335 C HN 0.688 nan 8.230 nan 0.000 0.481 336 A N 1.265 124.172 122.820 0.145 0.000 2.612 336 A HA 1.011 5.331 4.320 -0.000 0.000 0.293 336 A C -3.376 174.279 177.584 0.118 0.000 1.075 336 A CA -1.143 50.964 52.037 0.117 0.000 0.680 336 A CB 1.042 20.099 19.000 0.094 0.000 1.279 336 A HN 0.697 nan 8.150 nan 0.000 0.411 337 P HA 0.285 nan 4.420 nan 0.000 0.271 337 P C -0.320 177.013 177.300 0.056 0.000 1.218 337 P CA -0.159 62.956 63.100 0.025 0.000 0.780 337 P CB 0.623 32.268 31.700 -0.093 0.000 0.901 338 V N 4.585 124.545 119.914 0.075 0.000 2.377 338 V HA -0.019 4.101 4.120 -0.000 0.000 0.254 338 V C 0.641 176.764 176.094 0.049 0.000 1.060 338 V CA 0.381 62.723 62.300 0.070 0.000 1.068 338 V CB -1.230 30.650 31.823 0.095 0.000 1.113 338 V HN 0.350 nan 8.190 nan 0.000 0.484 339 L N 5.237 126.486 121.223 0.044 0.000 2.331 339 L HA 0.349 4.689 4.340 -0.000 0.000 0.278 339 L C 0.982 177.881 176.870 0.050 0.000 1.106 339 L CA 0.078 54.951 54.840 0.055 0.000 0.824 339 L CB 1.403 43.503 42.059 0.069 0.000 1.142 339 L HN 0.751 nan 8.230 nan 0.000 0.443 340 S N 2.986 118.720 115.700 0.058 0.000 2.624 340 S HA 0.217 4.687 4.470 -0.000 0.000 0.263 340 S C 1.055 175.680 174.600 0.041 0.000 1.287 340 S CA -0.780 57.449 58.200 0.048 0.000 0.990 340 S CB 1.099 64.332 63.200 0.054 0.000 0.950 340 S HN 0.554 nan 8.310 nan 0.000 0.561 341 M N 0.733 120.351 119.600 0.031 0.000 2.394 341 M HA 0.051 4.531 4.480 -0.000 0.000 0.264 341 M C 1.962 178.281 176.300 0.031 0.000 1.073 341 M CA 1.344 56.660 55.300 0.027 0.000 1.111 341 M CB -1.605 31.007 32.600 0.019 0.000 1.401 341 M HN 0.915 nan 8.290 nan 0.000 0.448 342 K N 0.858 121.279 120.400 0.035 0.000 2.025 342 K HA -0.152 4.168 4.320 -0.000 0.000 0.207 342 K C 1.741 178.366 176.600 0.041 0.000 1.049 342 K CA 1.431 57.739 56.287 0.036 0.000 0.933 342 K CB 0.106 32.628 32.500 0.037 0.000 0.714 342 K HN 0.340 nan 8.250 nan 0.000 0.438 343 E N 0.566 120.799 120.200 0.055 0.000 2.077 343 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 343 E C 2.085 178.718 176.600 0.054 0.000 0.989 343 E CA 1.426 57.867 56.400 0.068 0.000 0.800 343 E CB -0.121 29.645 29.700 0.111 0.000 0.746 343 E HN 0.341 nan 8.360 nan 0.000 0.452 344 I N 1.360 121.959 120.570 0.048 0.000 2.208 344 I HA -0.294 3.875 4.170 -0.000 0.000 0.245 344 I C 2.665 178.797 176.117 0.025 0.000 1.097 344 I CA 1.391 62.712 61.300 0.036 0.000 1.363 344 I CB -0.350 37.669 38.000 0.032 0.000 1.051 344 I HN 0.145 nan 8.210 nan 0.000 0.413 345 S N 0.794 116.509 115.700 0.026 0.000 2.419 345 S HA -0.102 4.367 4.470 -0.000 0.000 0.233 345 S C 1.704 176.312 174.600 0.014 0.000 1.016 345 S CA 1.010 59.223 58.200 0.021 0.000 0.974 345 S CB -0.458 62.758 63.200 0.026 0.000 0.786 345 S HN 0.486 nan 8.310 nan 0.000 0.492 346 L N 0.782 122.015 121.223 0.016 0.000 2.766 346 L HA 0.338 4.678 4.340 -0.000 0.000 0.242 346 L C 0.380 177.252 176.870 0.004 0.000 1.136 346 L CA -0.209 54.636 54.840 0.009 0.000 0.933 346 L CB 0.038 42.104 42.059 0.012 0.000 1.241 346 L HN 0.194 nan 8.230 nan 0.000 0.522 347 D N 2.083 122.488 120.400 0.009 0.000 2.363 347 D HA 0.023 4.662 4.640 -0.000 0.000 0.263 347 D C -1.547 174.749 176.300 -0.006 0.000 1.258 347 D CA -1.423 52.580 54.000 0.005 0.000 0.907 347 D CB 1.641 42.452 40.800 0.018 0.000 1.107 347 D HN -0.036 nan 8.370 nan 0.000 0.495 348 P HA -0.143 nan 4.420 nan 0.000 0.218 348 P C 1.387 178.677 177.300 -0.017 0.000 1.149 348 P CA 1.000 64.091 63.100 -0.016 0.000 0.817 348 P CB 0.064 31.753 31.700 -0.018 0.000 0.785 349 S N -0.330 115.363 115.700 -0.013 0.000 2.383 349 S HA -0.094 4.375 4.470 -0.000 0.000 0.227 349 S C 1.985 176.577 174.600 -0.014 0.000 1.026 349 S CA 0.969 59.162 58.200 -0.012 0.000 0.981 349 S CB -1.671 61.526 63.200 -0.005 0.000 0.818 349 S HN 0.083 nan 8.310 nan 0.000 0.472 350 L N 0.658 121.874 121.223 -0.011 0.000 2.201 350 L HA -0.006 4.334 4.340 -0.000 0.000 0.212 350 L C 3.023 179.876 176.870 -0.029 0.000 1.105 350 L CA 0.751 55.582 54.840 -0.015 0.000 0.775 350 L CB -0.421 41.634 42.059 -0.006 0.000 0.913 350 L HN 0.248 nan 8.230 nan 0.000 0.440 351 R N -0.012 120.470 120.500 -0.030 0.000 2.066 351 R HA -0.179 4.161 4.340 -0.000 0.000 0.232 351 R C 2.054 178.326 176.300 -0.047 0.000 1.131 351 R CA 1.223 57.297 56.100 -0.043 0.000 0.955 351 R CB -0.762 29.516 30.300 -0.038 0.000 0.851 351 R HN 0.464 nan 8.270 nan 0.000 0.432 352 Q N 1.026 120.804 119.800 -0.037 0.000 2.124 352 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 352 Q C 1.604 177.578 176.000 -0.043 0.000 0.977 352 Q CA 2.077 57.858 55.803 -0.038 0.000 0.850 352 Q CB 0.066 28.787 28.738 -0.029 0.000 0.901 352 Q HN 0.388 nan 8.270 nan 0.000 0.429 353 S N -1.666 114.011 115.700 -0.039 0.000 2.603 353 S HA 0.148 4.618 4.470 -0.000 0.000 0.220 353 S C 1.272 175.839 174.600 -0.055 0.000 0.967 353 S CA 0.511 58.686 58.200 -0.041 0.000 0.920 353 S CB 0.298 63.479 63.200 -0.031 0.000 0.773 353 S HN 0.635 nan 8.310 nan 0.000 0.529 354 G N 0.635 109.394 108.800 -0.069 0.000 2.143 354 G HA2 -0.301 3.658 3.960 -0.000 0.000 0.248 354 G HA3 -0.301 3.658 3.960 -0.000 0.000 0.248 354 G C 0.826 175.671 174.900 -0.092 0.000 0.991 354 G CA 0.483 45.525 45.100 -0.097 0.000 0.689 354 G HN 0.590 nan 8.290 nan 0.000 0.522 355 S N -1.521 114.143 115.700 -0.060 0.000 2.406 355 S HA 0.284 4.754 4.470 -0.000 0.000 0.224 355 S C 0.961 175.539 174.600 -0.037 0.000 1.030 355 S CA 1.099 59.276 58.200 -0.039 0.000 0.958 355 S CB 0.545 63.733 63.200 -0.020 0.000 0.811 355 S HN 0.581 nan 8.310 nan 0.000 0.489 356 V N 2.413 122.299 119.914 -0.045 0.000 2.487 356 V HA 0.523 4.643 4.120 -0.000 0.000 0.298 356 V C -0.801 175.246 176.094 -0.079 0.000 1.028 356 V CA -0.585 61.688 62.300 -0.046 0.000 0.860 356 V CB 1.766 33.575 31.823 -0.024 0.000 0.991 356 V HN 0.029 nan 8.190 nan 0.000 0.427 357 V N 3.654 123.503 119.914 -0.109 0.000 2.588 357 V HA 0.447 4.566 4.120 -0.000 0.000 0.304 357 V C -0.160 175.824 176.094 -0.184 0.000 1.042 357 V CA -0.758 61.450 62.300 -0.155 0.000 0.877 357 V CB 1.965 33.659 31.823 -0.214 0.000 0.996 357 V HN 0.931 nan 8.190 nan 0.000 0.425 358 E N 2.928 123.029 120.200 -0.164 0.000 2.229 358 E HA 0.572 4.922 4.350 -0.000 0.000 0.283 358 E C -1.388 175.072 176.600 -0.232 0.000 1.030 358 E CA -0.279 56.014 56.400 -0.179 0.000 0.836 358 E CB 1.524 31.163 29.700 -0.101 0.000 1.068 358 E HN 0.526 nan 8.360 nan 0.000 0.401 359 V N 3.907 123.600 119.914 -0.369 0.000 2.604 359 V HA 0.197 4.317 4.120 -0.000 0.000 0.305 359 V C -0.424 175.585 176.094 -0.141 0.000 1.043 359 V CA -0.940 61.156 62.300 -0.341 0.000 0.888 359 V CB 1.826 33.270 31.823 -0.632 0.000 0.995 359 V HN 0.694 nan 8.190 nan 0.000 0.429 360 E N 2.913 123.105 120.200 -0.013 0.000 2.223 360 E HA 0.416 4.766 4.350 -0.000 0.000 0.282 360 E C -0.541 176.157 176.600 0.162 0.000 1.046 360 E CA -0.035 56.410 56.400 0.075 0.000 0.857 360 E CB 1.084 30.811 29.700 0.046 0.000 1.055 360 E HN 0.624 nan 8.360 nan 0.000 0.409 361 Q N 5.008 124.938 119.800 0.216 0.000 2.340 361 Q HA 0.470 4.809 4.340 -0.000 0.000 0.268 361 Q C -2.553 173.525 176.000 0.129 0.000 1.031 361 Q CA -2.587 53.352 55.803 0.227 0.000 0.804 361 Q CB 1.656 30.563 28.738 0.281 0.000 1.286 361 Q HN 0.280 nan 8.270 nan 0.000 0.448 362 P HA 0.044 nan 4.420 nan 0.000 0.264 362 P C -0.127 177.205 177.300 0.052 0.000 1.193 362 P CA 0.525 63.665 63.100 0.066 0.000 0.763 362 P CB 0.395 32.129 31.700 0.057 0.000 0.810 363 L N -0.248 121.000 121.223 0.042 0.000 3.704 363 L HA -0.322 4.018 4.340 -0.000 0.000 0.396 363 L C 1.843 178.734 176.870 0.034 0.000 0.713 363 L CA 1.634 56.491 54.840 0.030 0.000 2.823 363 L CB -1.218 40.852 42.059 0.018 0.000 0.891 363 L HN 0.408 nan 8.230 nan 0.000 0.687 364 R N 0.861 121.390 120.500 0.047 0.000 2.123 364 R HA 0.352 4.692 4.340 -0.000 0.000 0.209 364 R C 1.302 177.645 176.300 0.071 0.000 1.078 364 R CA 1.362 57.494 56.100 0.053 0.000 1.028 364 R CB 0.522 30.852 30.300 0.051 0.000 0.939 364 R HN 0.507 nan 8.270 nan 0.000 0.463 365 G N 1.112 109.963 108.800 0.085 0.000 2.488 365 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.237 365 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.237 365 G C -1.228 173.754 174.900 0.136 0.000 1.209 365 G CA -0.064 45.089 45.100 0.088 0.000 0.929 365 G HN 0.302 nan 8.290 nan 0.000 0.578 366 K N 0.732 121.200 120.400 0.113 0.000 2.249 366 K HA 0.600 4.920 4.320 -0.000 0.000 0.280 366 K C -0.267 176.458 176.600 0.208 0.000 1.033 366 K CA -0.065 56.290 56.287 0.113 0.000 0.946 366 K CB 0.961 33.490 32.500 0.048 0.000 1.005 366 K HN 0.704 nan 8.250 nan 0.000 0.469 367 Y N -0.266 120.053 120.300 0.032 0.000 2.605 367 Y HA 0.576 5.126 4.550 -0.000 0.000 0.343 367 Y C -1.228 174.689 175.900 0.029 0.000 1.036 367 Y CA -1.569 56.552 58.100 0.035 0.000 1.065 367 Y CB 0.817 39.307 38.460 0.050 0.000 1.288 367 Y HN 0.237 nan 8.280 nan 0.000 0.481 368 L N 2.346 123.630 121.223 0.102 0.000 2.307 368 L HA 0.628 4.968 4.340 -0.000 0.000 0.282 368 L C 0.107 177.013 176.870 0.060 0.000 1.051 368 L CA -0.556 54.279 54.840 -0.009 0.000 0.804 368 L CB 1.708 43.786 42.059 0.032 0.000 1.197 368 L HN 0.914 nan 8.230 nan 0.000 0.431 369 T N 1.434 115.957 114.554 -0.051 0.000 2.907 369 T HA 0.522 4.872 4.350 -0.000 0.000 0.290 369 T C -0.610 174.113 174.700 0.037 0.000 1.066 369 T CA -0.421 61.719 62.100 0.066 0.000 1.012 369 T CB 1.870 70.815 68.868 0.129 0.000 1.184 369 T HN 0.186 nan 8.240 nan 0.000 0.522 370 V N 3.099 123.070 119.914 0.095 0.000 2.555 370 V HA 0.494 4.614 4.120 -0.000 0.000 0.286 370 V C 1.375 177.524 176.094 0.092 0.000 1.044 370 V CA 0.095 62.443 62.300 0.081 0.000 1.026 370 V CB 0.690 32.570 31.823 0.094 0.000 0.981 370 V HN 1.015 nan 8.190 nan 0.000 0.480 371 G N 2.437 111.220 108.800 -0.029 0.000 2.510 371 G HA2 0.226 4.185 3.960 -0.000 0.000 0.280 371 G HA3 0.226 4.185 3.960 -0.000 0.000 0.280 371 G C -0.036 174.807 174.900 -0.095 0.000 1.386 371 G CA -0.397 44.574 45.100 -0.216 0.000 1.047 371 G HN 0.832 nan 8.290 nan 0.000 0.527 372 C N 1.400 120.567 119.300 -0.221 0.000 2.624 372 C HA 0.374 4.834 4.460 -0.000 0.000 0.397 372 C C -0.352 174.712 174.990 0.123 0.000 1.331 372 C CA -1.390 57.685 59.018 0.095 0.000 1.716 372 C CB 0.349 28.153 27.740 0.107 0.000 2.452 372 C HN 0.479 nan 8.230 nan 0.000 0.586 373 P HA -0.085 nan 4.420 nan 0.000 0.215 373 P C 0.549 177.873 177.300 0.040 0.000 1.157 373 P CA 1.418 64.573 63.100 0.093 0.000 0.863 373 P CB -0.174 31.587 31.700 0.102 0.000 0.787 374 M N -1.385 118.243 119.600 0.048 0.000 2.342 374 M HA 0.431 4.911 4.480 -0.000 0.000 0.332 374 M C -0.428 175.759 176.300 -0.188 0.000 1.166 374 M CA -0.300 54.928 55.300 -0.121 0.000 1.086 374 M CB 0.902 33.362 32.600 -0.232 0.000 1.541 374 M HN -0.336 nan 8.290 nan 0.000 0.462 375 K N 2.880 123.115 120.400 -0.276 0.000 2.207 375 K HA 0.675 4.995 4.320 -0.000 0.000 0.255 375 K C -1.520 174.896 176.600 -0.307 0.000 0.941 375 K CA -0.179 56.004 56.287 -0.173 0.000 0.825 375 K CB 1.382 33.831 32.500 -0.085 0.000 1.119 375 K HN 0.715 nan 8.250 nan 0.000 0.430 376 F N 0.147 120.106 119.950 0.015 0.000 2.507 376 F HA 0.130 4.656 4.527 -0.001 0.000 0.325 376 F C 1.529 177.340 175.800 0.019 0.000 1.116 376 F CA -0.706 57.319 58.000 0.041 0.000 0.930 376 F CB 1.964 41.045 39.000 0.135 0.000 1.146 376 F HN 0.560 nan 8.300 nan 0.000 0.447 377 S N 1.075 116.885 115.700 0.183 0.000 2.481 377 S HA 0.033 4.503 4.470 -0.000 0.000 0.231 377 S C 1.310 175.978 174.600 0.112 0.000 0.996 377 S CA 0.705 58.967 58.200 0.104 0.000 0.942 377 S CB -0.088 63.149 63.200 0.062 0.000 0.768 377 S HN 0.670 nan 8.310 nan 0.000 0.520 378 A N -0.077 122.844 122.820 0.168 0.000 2.470 378 A HA 0.655 4.974 4.320 -0.000 0.000 0.251 378 A C -0.073 177.627 177.584 0.193 0.000 1.245 378 A CA -0.571 51.547 52.037 0.134 0.000 0.932 378 A CB 0.035 19.095 19.000 0.100 0.000 1.037 378 A HN 0.620 nan 8.150 nan 0.000 0.522 379 F N -0.465 119.495 119.950 0.017 0.000 2.605 379 F HA 0.482 5.009 4.527 -0.001 0.000 0.320 379 F C -1.285 174.521 175.800 0.010 0.000 1.159 379 F CA -0.224 57.737 58.000 -0.065 0.000 0.999 379 F CB 1.529 40.355 39.000 -0.291 0.000 1.258 379 F HN -0.190 nan 8.300 nan 0.000 0.464 380 T N 7.100 121.166 114.554 -0.814 0.000 2.842 380 T HA 0.378 4.728 4.350 -0.000 0.000 0.308 380 T C -2.609 171.542 174.700 -0.915 0.000 1.041 380 T CA -1.193 60.507 62.100 -0.667 0.000 0.964 380 T CB 1.095 69.784 68.868 -0.299 0.000 0.972 380 T HN 0.294 nan 8.240 nan 0.000 0.460 381 P HA 0.250 nan 4.420 nan 0.000 0.269 381 P C -0.679 176.435 177.300 -0.310 0.000 1.209 381 P CA -0.299 62.498 63.100 -0.504 0.000 0.776 381 P CB 0.600 32.135 31.700 -0.275 0.000 0.876 382 D N 2.103 122.402 120.400 -0.167 0.000 2.460 382 D HA 0.281 4.921 4.640 -0.000 0.000 0.232 382 D C -0.400 175.809 176.300 -0.151 0.000 1.079 382 D CA -0.425 53.490 54.000 -0.141 0.000 0.864 382 D CB -0.071 40.700 40.800 -0.050 0.000 1.048 382 D HN 0.172 nan 8.370 nan 0.000 0.523 383 I N 3.736 124.138 120.570 -0.280 0.000 2.416 383 I HA 0.188 4.358 4.170 -0.000 0.000 0.288 383 I C 0.881 176.958 176.117 -0.066 0.000 1.051 383 I CA -0.118 61.016 61.300 -0.276 0.000 1.375 383 I CB 0.686 38.366 38.000 -0.532 0.000 1.407 383 I HN 0.097 nan 8.210 nan 0.000 0.516 384 K N 4.228 124.680 120.400 0.086 0.000 2.346 384 K HA 0.747 5.067 4.320 -0.000 0.000 0.238 384 K C -0.370 176.333 176.600 0.172 0.000 1.039 384 K CA -0.929 55.418 56.287 0.100 0.000 0.861 384 K CB 1.590 34.155 32.500 0.108 0.000 1.278 384 K HN 0.614 nan 8.250 nan 0.000 0.460 385 A N 0.682 123.609 122.820 0.178 0.000 2.475 385 A HA 0.383 4.703 4.320 -0.000 0.000 0.239 385 A C -0.082 177.644 177.584 0.237 0.000 1.087 385 A CA 0.257 52.447 52.037 0.254 0.000 0.779 385 A CB -0.112 19.011 19.000 0.205 0.000 1.036 385 A HN 0.690 nan 8.150 nan 0.000 0.506 386 A N 1.923 124.892 122.820 0.247 0.000 2.302 386 A HA 0.677 4.997 4.320 -0.000 0.000 0.285 386 A C -2.226 175.518 177.584 0.266 0.000 1.105 386 A CA -1.600 50.555 52.037 0.197 0.000 0.816 386 A CB -0.015 19.070 19.000 0.142 0.000 1.067 386 A HN 0.695 nan 8.150 nan 0.000 0.489 387 P HA 0.298 nan 4.420 nan 0.000 0.279 387 P C -0.614 176.826 177.300 0.232 0.000 1.239 387 P CA -0.091 63.191 63.100 0.304 0.000 0.789 387 P CB 0.688 32.587 31.700 0.333 0.000 0.933 388 L N 2.297 123.587 121.223 0.112 0.000 2.453 388 L HA 0.177 4.517 4.340 -0.000 0.000 0.261 388 L C 1.133 177.993 176.870 -0.016 0.000 1.179 388 L CA -1.055 53.788 54.840 0.006 0.000 0.813 388 L CB 0.088 42.138 42.059 -0.016 0.000 1.110 388 L HN 0.303 nan 8.230 nan 0.000 0.466 389 L N 2.504 123.679 121.223 -0.081 0.000 2.534 389 L HA 0.213 4.552 4.340 -0.000 0.000 0.271 389 L C 1.028 177.878 176.870 -0.033 0.000 1.178 389 L CA 1.192 55.991 54.840 -0.069 0.000 0.907 389 L CB 0.123 42.122 42.059 -0.101 0.000 1.164 389 L HN 0.805 nan 8.230 nan 0.000 0.482 390 G N 2.855 111.653 108.800 -0.004 0.000 2.166 390 G HA2 -0.374 3.585 3.960 -0.000 0.000 0.260 390 G HA3 -0.374 3.585 3.960 -0.000 0.000 0.260 390 G C 0.930 175.802 174.900 -0.046 0.000 0.986 390 G CA 0.753 45.848 45.100 -0.008 0.000 0.683 390 G HN 0.841 nan 8.290 nan 0.000 0.527 391 E N -0.466 119.684 120.200 -0.084 0.000 2.160 391 E HA -0.181 4.169 4.350 -0.000 0.000 0.195 391 E C 1.514 177.825 176.600 -0.481 0.000 0.991 391 E CA 1.200 57.432 56.400 -0.280 0.000 0.810 391 E CB -0.117 29.385 29.700 -0.330 0.000 0.742 391 E HN 0.771 nan 8.360 nan 0.000 0.466 392 H N -1.105 117.966 119.070 0.002 0.000 2.672 392 H HA 0.158 4.714 4.556 -0.000 0.000 0.277 392 H C 1.428 176.751 175.328 -0.009 0.000 1.074 392 H CA 0.421 56.469 56.048 -0.000 0.000 1.173 392 H CB 0.740 30.502 29.762 0.001 0.000 1.558 392 H HN 0.103 nan 8.280 nan 0.000 0.539 393 T N 1.231 115.808 114.554 0.037 0.000 2.652 393 T HA -0.189 4.161 4.350 -0.000 0.000 0.267 393 T C 2.423 177.128 174.700 0.009 0.000 1.039 393 T CA 1.619 63.727 62.100 0.014 0.000 1.153 393 T CB -0.184 68.676 68.868 -0.013 0.000 0.863 393 T HN 0.479 nan 8.240 nan 0.000 0.428 394 A N 1.532 124.352 122.820 -0.001 0.000 1.883 394 A HA 0.073 4.393 4.320 -0.000 0.000 0.217 394 A C 2.678 180.281 177.584 0.032 0.000 1.186 394 A CA 2.115 54.155 52.037 0.006 0.000 0.624 394 A CB -1.262 17.736 19.000 -0.003 0.000 0.822 394 A HN 0.532 nan 8.150 nan 0.000 0.444 395 A N -0.692 122.155 122.820 0.045 0.000 1.902 395 A HA -0.015 4.305 4.320 -0.000 0.000 0.217 395 A C 2.250 179.873 177.584 0.065 0.000 1.181 395 A CA 1.867 53.942 52.037 0.062 0.000 0.623 395 A CB -0.979 18.075 19.000 0.089 0.000 0.818 395 A HN 0.416 nan 8.150 nan 0.000 0.443 396 V N 0.139 120.092 119.914 0.065 0.000 2.295 396 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 396 V C 2.563 178.700 176.094 0.072 0.000 1.049 396 V CA 2.029 64.359 62.300 0.052 0.000 1.024 396 V CB -0.749 31.093 31.823 0.032 0.000 0.648 396 V HN 0.576 nan 8.190 nan 0.000 0.447 397 L N -0.742 120.523 121.223 0.070 0.000 2.093 397 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 397 L C 2.661 179.665 176.870 0.224 0.000 1.085 397 L CA 1.434 56.358 54.840 0.140 0.000 0.755 397 L CB -0.651 41.403 42.059 -0.008 0.000 0.904 397 L HN 0.368 nan 8.230 nan 0.000 0.435 398 Q N 0.250 120.127 119.800 0.130 0.000 2.061 398 Q HA -0.258 4.081 4.340 -0.000 0.000 0.204 398 Q C 2.058 178.108 176.000 0.082 0.000 0.984 398 Q CA 1.836 57.702 55.803 0.104 0.000 0.846 398 Q CB -0.129 28.649 28.738 0.066 0.000 0.902 398 Q HN 0.521 nan 8.270 nan 0.000 0.421 399 E N 0.342 120.586 120.200 0.072 0.000 2.265 399 E HA -0.134 4.215 4.350 -0.000 0.000 0.196 399 E C 1.450 178.079 176.600 0.047 0.000 0.996 399 E CA 0.648 57.077 56.400 0.048 0.000 0.832 399 E CB 0.038 29.762 29.700 0.039 0.000 0.756 399 E HN 0.324 nan 8.360 nan 0.000 0.491 400 L N -0.744 120.533 121.223 0.089 0.000 2.591 400 L HA 0.171 4.511 4.340 -0.000 0.000 0.228 400 L C 1.375 178.213 176.870 -0.053 0.000 1.133 400 L CA 0.364 55.245 54.840 0.069 0.000 0.880 400 L CB 0.131 42.312 42.059 0.203 0.000 1.033 400 L HN 0.330 nan 8.230 nan 0.000 0.450 401 G N -1.504 107.272 108.800 -0.040 0.000 2.195 401 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.224 401 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.224 401 G C 0.059 174.857 174.900 -0.169 0.000 0.990 401 G CA -0.555 44.470 45.100 -0.124 0.000 0.639 401 G HN 0.234 nan 8.290 nan 0.000 0.514 402 Y N 2.722 123.028 120.300 0.010 0.000 2.511 402 Y HA 0.390 4.940 4.550 -0.001 0.000 0.332 402 Y C 1.575 177.480 175.900 0.007 0.000 1.177 402 Y CA 0.450 58.556 58.100 0.010 0.000 1.422 402 Y CB 0.736 39.202 38.460 0.011 0.000 1.271 402 Y HN 0.394 nan 8.280 nan 0.000 0.550 403 S N 0.537 116.323 115.700 0.143 0.000 2.624 403 S HA 0.059 4.529 4.470 -0.000 0.000 0.263 403 S C 0.467 175.119 174.600 0.087 0.000 1.287 403 S CA -0.555 57.696 58.200 0.086 0.000 0.990 403 S CB 0.897 64.131 63.200 0.057 0.000 0.950 403 S HN 0.664 nan 8.310 nan 0.000 0.561 404 D N 0.598 121.030 120.400 0.053 0.000 2.178 404 D HA -0.034 4.606 4.640 -0.000 0.000 0.201 404 D C 1.088 177.405 176.300 0.029 0.000 0.980 404 D CA 1.244 55.266 54.000 0.036 0.000 0.842 404 D CB -0.249 40.564 40.800 0.023 0.000 0.948 404 D HN 0.556 nan 8.370 nan 0.000 0.472 405 D N 0.505 120.924 120.400 0.033 0.000 2.097 405 D HA -0.093 4.546 4.640 -0.000 0.000 0.197 405 D C 1.858 178.176 176.300 0.030 0.000 0.984 405 D CA 0.753 54.768 54.000 0.025 0.000 0.826 405 D CB -0.225 40.590 40.800 0.024 0.000 0.973 405 D HN 0.282 nan 8.370 nan 0.000 0.460 406 E N 0.108 120.345 120.200 0.061 0.000 2.085 406 E HA -0.139 4.211 4.350 -0.000 0.000 0.194 406 E C 2.260 178.873 176.600 0.022 0.000 0.994 406 E CA 0.571 57.020 56.400 0.081 0.000 0.801 406 E CB -0.025 29.796 29.700 0.201 0.000 0.743 406 E HN 0.308 nan 8.360 nan 0.000 0.453 407 I N 0.688 121.268 120.570 0.016 0.000 2.202 407 I HA -0.251 3.919 4.170 -0.000 0.000 0.242 407 I C 2.496 178.587 176.117 -0.043 0.000 1.091 407 I CA 0.904 62.181 61.300 -0.039 0.000 1.368 407 I CB -0.288 37.705 38.000 -0.011 0.000 1.058 407 I HN 0.099 nan 8.210 nan 0.000 0.410 408 A N 0.702 123.508 122.820 -0.024 0.000 1.972 408 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 408 A C 2.515 180.070 177.584 -0.048 0.000 1.169 408 A CA 1.749 53.766 52.037 -0.034 0.000 0.635 408 A CB -0.700 18.288 19.000 -0.021 0.000 0.810 408 A HN 0.439 nan 8.150 nan 0.000 0.446 409 A N -0.519 122.279 122.820 -0.036 0.000 1.898 409 A HA -0.086 4.233 4.320 -0.000 0.000 0.216 409 A C 2.229 179.774 177.584 -0.066 0.000 1.181 409 A CA 1.675 53.687 52.037 -0.041 0.000 0.620 409 A CB -0.517 18.475 19.000 -0.014 0.000 0.819 409 A HN 0.515 nan 8.150 nan 0.000 0.442 410 M N -0.859 118.699 119.600 -0.070 0.000 2.213 410 M HA -0.158 4.321 4.480 -0.000 0.000 0.263 410 M C 2.235 178.472 176.300 -0.105 0.000 1.062 410 M CA 1.949 57.197 55.300 -0.088 0.000 1.105 410 M CB -0.313 32.214 32.600 -0.121 0.000 1.385 410 M HN 0.511 nan 8.290 nan 0.000 0.417 411 K N 0.537 120.873 120.400 -0.107 0.000 2.026 411 K HA -0.234 4.086 4.320 -0.000 0.000 0.208 411 K C 2.040 178.491 176.600 -0.249 0.000 1.048 411 K CA 1.586 57.798 56.287 -0.126 0.000 0.929 411 K CB -0.087 32.362 32.500 -0.086 0.000 0.713 411 K HN 0.299 nan 8.250 nan 0.000 0.439 412 Q N 0.201 119.865 119.800 -0.228 0.000 2.079 412 Q HA -0.147 4.193 4.340 -0.000 0.000 0.200 412 Q C 1.649 177.365 176.000 -0.474 0.000 0.974 412 Q CA 1.466 57.085 55.803 -0.307 0.000 0.840 412 Q CB 0.023 28.670 28.738 -0.152 0.000 0.898 412 Q HN 0.337 nan 8.270 nan 0.000 0.430 413 N N 0.119 118.657 118.700 -0.270 0.000 2.272 413 N HA -0.178 4.562 4.740 -0.000 0.000 0.185 413 N C -0.260 175.206 175.510 -0.074 0.000 1.014 413 N CA 1.388 54.356 53.050 -0.136 0.000 0.870 413 N CB -0.145 38.311 38.487 -0.051 0.000 0.975 413 N HN 0.403 nan 8.380 nan 0.000 0.433 414 H N -3.075 115.992 119.070 -0.004 0.000 3.109 414 H HA -0.171 4.385 4.556 -0.000 0.000 0.245 414 H C 1.160 176.487 175.328 -0.001 0.000 1.187 414 H CA 0.741 56.787 56.048 -0.003 0.000 1.136 414 H CB -1.669 28.094 29.762 0.001 0.000 1.243 414 H HN 0.302 nan 8.280 nan 0.000 0.328 415 A N 0.893 123.744 122.820 0.052 0.000 2.019 415 A HA 0.161 4.481 4.320 -0.000 0.000 0.219 415 A C 1.507 179.099 177.584 0.013 0.000 1.164 415 A CA 1.436 53.492 52.037 0.030 0.000 0.644 415 A CB -0.107 18.891 19.000 -0.003 0.000 0.805 415 A HN 0.557 nan 8.150 nan 0.000 0.449 416 I N 0.000 120.567 120.570 -0.004 0.000 2.984 416 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 416 I CA 0.000 61.296 61.300 -0.007 0.000 1.566 416 I CB 0.000 37.972 38.000 -0.046 0.000 1.214 416 I HN 0.000 nan 8.210 nan 0.000 0.494