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 3eq8_1_A DATA FIRST_RESID 2 DATA SEQUENCE LSFQYPDVYR DETAIQDYHG HKVCDPYAWL EDPDSEQTKA FVEAQNKITV DATA SEQUENCE PFLEQCPIRG LYKERMTELY DYPKYSCHFK KGKRYFYFYN TGLQNQRVLY DATA SEQUENCE VQDSLEGEAR VFLDPNILSD DGTVALRGYA FSEDGEYFAY GLSASGSDWV DATA SEQUENCE TIKFMKVDGA KELPDVLERV KFSCMAWTHD GKGMFYNAYP QQDGKSDGTE DATA SEQUENCE TSTNLHQKLY YHVLGTDQSE DILCAEFPDE PKWMGGAELS DDGRYVLLSI DATA SEQUENCE REGCDPVNRL WYCDLQQESN GITGILKWVK LIDNFEGEYD YVTNEGTVFT DATA SEQUENCE FKTNRHSPNY RLINIDFTDP EESKWKVLVP EHEKDVLEWV ACVRSNFLVL DATA SEQUENCE CYLHDVKNTL QLHDLATGAL LKIFPLEVGS VVGYSGQKKD TEIFYQFTSF DATA SEQUENCE LSPGIIYHCD LTKEELEPRV FREVTVKGID ASDYQTVQIF YPSKDGTKIP DATA SEQUENCE MFIVHKKGIK LDGSHPAFLY GYGGFNISIT PNYSVSRLIF VRHMGGVLAV DATA SEQUENCE ANIRGGGEYG ETWHKGGILA NKQNCFDDFQ CAAEYLIKEG YTSPKRLTIN DATA SEQUENCE GGSNGGLLVA TCANQRPDLF GCVIAQVGVM DMLKFHKYTI GHAWTTDYGC DATA SEQUENCE SDSKQHFEWL IKYSPLHNVK LPEADDIQYP SMLLLTADHD DRVVPLHSLK DATA SEQUENCE FIATLQYIVG RSRKQNNPLL IHVDTKAGHG AGKPTAKVIE EVSDMFAFIA DATA SEQUENCE RCLNIDWIP 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 L HA 0.000 nan 4.340 nan 0.000 0.249 2 L C 0.000 176.848 176.870 -0.036 0.000 1.165 2 L CA 0.000 54.816 54.840 -0.041 0.000 0.813 2 L CB 0.000 41.954 42.059 -0.175 0.000 0.961 3 S N -0.435 115.279 115.700 0.024 0.000 2.607 3 S HA 0.419 4.894 4.470 0.008 0.000 0.224 3 S C 0.576 175.173 174.600 -0.005 0.000 0.969 3 S CA 0.708 58.921 58.200 0.022 0.000 0.927 3 S CB -0.789 62.448 63.200 0.062 0.000 0.772 3 S HN 2.003 nan 8.310 nan 0.000 0.533 4 F N -0.169 119.753 119.950 -0.047 0.000 2.579 4 F HA 0.785 5.317 4.527 0.008 0.000 0.324 4 F C -0.577 175.101 175.800 -0.203 0.000 1.058 4 F CA -2.154 55.800 58.000 -0.078 0.000 0.944 4 F CB 0.498 39.477 39.000 -0.035 0.000 1.245 4 F HN 0.073 nan 8.300 nan 0.000 0.477 5 Q N 0.001 119.702 119.800 -0.164 0.000 2.309 5 Q HA 0.458 4.803 4.340 0.008 0.000 0.264 5 Q C -1.536 174.378 176.000 -0.143 0.000 1.008 5 Q CA -0.735 54.935 55.803 -0.221 0.000 0.853 5 Q CB 2.548 31.229 28.738 -0.096 0.000 1.314 5 Q HN 0.859 nan 8.270 nan 0.000 0.448 6 Y N 1.128 121.417 120.300 -0.018 0.000 2.336 6 Y HA 0.186 4.741 4.550 0.008 0.000 0.331 6 Y C -1.581 174.326 175.900 0.012 0.000 1.211 6 Y CA -1.996 56.092 58.100 -0.020 0.000 1.346 6 Y CB 0.124 38.570 38.460 -0.023 0.000 1.271 6 Y HN 0.456 nan 8.280 nan 0.000 0.538 7 P HA -0.035 nan 4.420 nan 0.000 0.271 7 P C -1.135 176.276 177.300 0.185 0.000 1.238 7 P CA -0.096 63.087 63.100 0.139 0.000 0.794 7 P CB 0.556 32.306 31.700 0.083 0.000 0.959 8 D N 0.287 120.796 120.400 0.182 0.000 2.359 8 D HA 0.251 4.895 4.640 0.008 0.000 0.230 8 D C -0.760 175.706 176.300 0.276 0.000 1.118 8 D CA 0.001 54.127 54.000 0.209 0.000 0.844 8 D CB 0.685 41.582 40.800 0.161 0.000 1.059 8 D HN -0.088 nan 8.370 nan 0.000 0.493 9 V N 4.107 124.221 119.914 0.333 0.000 2.398 9 V HA 0.110 4.234 4.120 0.008 0.000 0.286 9 V C -0.088 176.294 176.094 0.481 0.000 1.026 9 V CA -1.027 61.554 62.300 0.469 0.000 0.868 9 V CB 1.080 33.154 31.823 0.418 0.000 0.982 9 V HN 0.388 nan 8.190 nan 0.000 0.443 10 Y N 5.615 126.108 120.300 0.321 0.000 2.620 10 Y HA 0.239 4.794 4.550 0.008 0.000 0.330 10 Y C 0.657 176.718 175.900 0.269 0.000 1.186 10 Y CA -0.173 57.999 58.100 0.119 0.000 1.467 10 Y CB 0.321 38.634 38.460 -0.245 0.000 1.262 10 Y HN 0.548 nan 8.280 nan 0.000 0.550 11 R N 4.749 124.913 120.500 -0.560 0.000 2.246 11 R HA 0.118 4.463 4.340 0.008 0.000 0.332 11 R C -1.057 174.669 176.300 -0.958 0.000 0.974 11 R CA -0.737 54.962 56.100 -0.668 0.000 0.837 11 R CB 0.549 30.492 30.300 -0.596 0.000 1.145 11 R HN 0.614 nan 8.270 nan 0.000 0.467 12 D N 3.593 123.599 120.400 -0.655 0.000 2.453 12 D HA -0.003 4.642 4.640 0.008 0.000 0.223 12 D C 0.393 176.527 176.300 -0.276 0.000 1.183 12 D CA -0.029 53.709 54.000 -0.435 0.000 0.933 12 D CB 0.777 41.532 40.800 -0.076 0.000 1.038 12 D HN 0.478 nan 8.370 nan 0.000 0.513 13 E N 1.545 121.589 120.200 -0.259 0.000 2.516 13 E HA -0.085 4.270 4.350 0.008 0.000 0.199 13 E C 1.258 177.805 176.600 -0.087 0.000 1.069 13 E CA 0.469 56.772 56.400 -0.162 0.000 0.876 13 E CB -0.084 29.537 29.700 -0.132 0.000 0.843 13 E HN 0.516 nan 8.360 nan 0.000 0.530 14 T N -2.429 112.085 114.554 -0.066 0.000 3.069 14 T HA 0.325 4.679 4.350 0.008 0.000 0.252 14 T C 1.031 175.717 174.700 -0.023 0.000 1.053 14 T CA -0.024 62.057 62.100 -0.031 0.000 0.964 14 T CB 0.315 69.177 68.868 -0.010 0.000 1.005 14 T HN 0.069 nan 8.240 nan 0.000 0.532 15 A N 1.760 124.561 122.820 -0.032 0.000 3.056 15 A HA 0.636 4.961 4.320 0.008 0.000 0.274 15 A C -0.076 177.504 177.584 -0.006 0.000 1.661 15 A CA -0.589 51.441 52.037 -0.013 0.000 1.363 15 A CB -1.011 17.984 19.000 -0.007 0.000 1.139 15 A HN 0.641 nan 8.150 nan 0.000 0.598 16 I N 0.423 120.989 120.570 -0.006 0.000 2.493 16 I HA 0.392 4.567 4.170 0.008 0.000 0.298 16 I C 0.179 176.287 176.117 -0.016 0.000 0.998 16 I CA -0.247 61.058 61.300 0.007 0.000 1.137 16 I CB 1.950 39.952 38.000 0.003 0.000 1.310 16 I HN 0.618 nan 8.210 nan 0.000 0.445 17 Q N 3.431 123.227 119.800 -0.006 0.000 2.413 17 Q HA 0.385 4.729 4.340 0.008 0.000 0.276 17 Q C -1.733 174.169 176.000 -0.162 0.000 1.099 17 Q CA -0.828 54.896 55.803 -0.132 0.000 0.814 17 Q CB 2.474 31.096 28.738 -0.194 0.000 1.379 17 Q HN 0.604 nan 8.270 nan 0.000 0.436 18 D N 1.268 121.481 120.400 -0.312 0.000 2.349 18 D HA 0.257 4.902 4.640 0.008 0.000 0.232 18 D C -1.749 174.260 176.300 -0.484 0.000 1.071 18 D CA -0.146 53.702 54.000 -0.253 0.000 0.832 18 D CB 0.541 41.228 40.800 -0.188 0.000 1.086 18 D HN 0.370 nan 8.370 nan 0.000 0.504 19 Y N 4.138 124.260 120.300 -0.297 0.000 2.721 19 Y HA 0.240 4.794 4.550 0.007 0.000 0.328 19 Y C -0.010 175.621 175.900 -0.448 0.000 1.003 19 Y CA -0.780 56.910 58.100 -0.684 0.000 1.275 19 Y CB 0.223 37.927 38.460 -1.259 0.000 1.097 19 Y HN 0.506 nan 8.280 nan 0.000 0.514 20 H N 1.561 120.556 119.070 -0.126 0.000 2.702 20 H HA -0.213 4.348 4.556 0.008 0.000 0.328 20 H C 1.392 176.758 175.328 0.065 0.000 1.111 20 H CA 0.807 56.850 56.048 -0.008 0.000 1.109 20 H CB -1.363 28.425 29.762 0.044 0.000 1.606 20 H HN 1.076 nan 8.280 nan 0.000 0.399 21 G N -0.095 108.716 108.800 0.017 0.000 2.328 21 G HA2 -0.353 3.612 3.960 0.008 0.000 0.256 21 G HA3 -0.353 3.612 3.960 0.008 0.000 0.256 21 G C 0.095 174.929 174.900 -0.110 0.000 1.014 21 G CA 0.945 45.998 45.100 -0.078 0.000 0.620 21 G HN 0.815 nan 8.290 nan 0.000 0.530 22 H N 0.803 119.948 119.070 0.125 0.000 2.620 22 H HA 0.635 5.196 4.556 0.008 0.000 0.313 22 H C 0.295 175.731 175.328 0.179 0.000 1.075 22 H CA 0.052 56.226 56.048 0.210 0.000 1.397 22 H CB 1.079 31.120 29.762 0.464 0.000 1.446 22 H HN 0.207 nan 8.280 nan 0.000 0.493 23 K N 2.586 123.132 120.400 0.245 0.000 2.293 23 K HA 0.376 4.701 4.320 0.008 0.000 0.267 23 K C -0.904 175.834 176.600 0.229 0.000 1.010 23 K CA -0.785 55.610 56.287 0.181 0.000 0.875 23 K CB 1.402 33.955 32.500 0.089 0.000 1.106 23 K HN 0.431 nan 8.250 nan 0.000 0.450 24 V N 1.981 122.063 119.914 0.282 0.000 2.555 24 V HA 0.474 4.598 4.120 0.008 0.000 0.302 24 V C -0.813 175.402 176.094 0.202 0.000 1.038 24 V CA -0.856 61.602 62.300 0.263 0.000 0.887 24 V CB 1.493 33.500 31.823 0.307 0.000 0.991 24 V HN 0.937 nan 8.190 nan 0.000 0.434 25 C N 5.174 124.562 119.300 0.146 0.000 2.307 25 C HA 0.679 5.143 4.460 0.008 0.000 0.340 25 C C -0.253 174.774 174.990 0.062 0.000 1.275 25 C CA -0.067 58.995 59.018 0.072 0.000 1.811 25 C CB 0.007 27.756 27.740 0.015 0.000 2.372 25 C HN 1.044 nan 8.230 nan 0.000 0.531 26 D N 6.651 127.068 120.400 0.029 0.000 2.434 26 D HA 0.340 4.985 4.640 0.008 0.000 0.275 26 D C -1.328 174.898 176.300 -0.123 0.000 1.172 26 D CA -1.650 52.346 54.000 -0.007 0.000 0.916 26 D CB 1.168 42.020 40.800 0.086 0.000 1.041 26 D HN 0.429 nan 8.370 nan 0.000 0.501 27 P HA -0.084 nan 4.420 nan 0.000 0.229 27 P C 0.496 177.498 177.300 -0.497 0.000 1.160 27 P CA 0.620 63.438 63.100 -0.471 0.000 0.777 27 P CB 0.031 31.292 31.700 -0.731 0.000 0.814 28 Y N -0.790 119.379 120.300 -0.219 0.000 2.571 28 Y HA 0.453 5.008 4.550 0.008 0.000 0.275 28 Y C 2.201 177.701 175.900 -0.665 0.000 1.179 28 Y CA -0.364 57.397 58.100 -0.567 0.000 1.242 28 Y CB -0.315 37.824 38.460 -0.535 0.000 1.126 28 Y HN -0.080 nan 8.280 nan 0.000 0.524 29 A N 0.762 123.448 122.820 -0.223 0.000 2.248 29 A HA -0.114 4.211 4.320 0.008 0.000 0.210 29 A C 1.552 179.090 177.584 -0.078 0.000 1.174 29 A CA 0.744 52.709 52.037 -0.118 0.000 0.750 29 A CB -0.857 18.142 19.000 -0.002 0.000 0.780 29 A HN 0.825 nan 8.150 nan 0.000 0.478 30 W N -1.406 119.876 121.300 -0.030 0.000 2.658 30 W HA 0.137 4.802 4.660 0.008 0.000 0.263 30 W C 0.871 177.353 176.519 -0.062 0.000 1.274 30 W CA -0.000 57.329 57.345 -0.026 0.000 1.343 30 W CB -1.022 28.444 29.460 0.010 0.000 1.106 30 W HN 0.191 nan 8.180 nan 0.000 0.615 31 L N 1.321 122.196 121.223 -0.581 0.000 2.549 31 L HA -0.109 4.236 4.340 0.008 0.000 0.230 31 L C 2.080 178.781 176.870 -0.282 0.000 1.162 31 L CA 1.180 55.696 54.840 -0.540 0.000 0.834 31 L CB -0.499 41.045 42.059 -0.858 0.000 0.947 31 L HN 0.019 nan 8.230 nan 0.000 0.452 32 E N -0.609 119.463 120.200 -0.214 0.000 2.347 32 E HA -0.131 4.224 4.350 0.008 0.000 0.196 32 E C 0.445 176.948 176.600 -0.160 0.000 1.008 32 E CA 0.216 56.483 56.400 -0.220 0.000 0.852 32 E CB 0.112 29.720 29.700 -0.154 0.000 0.783 32 E HN 0.254 nan 8.360 nan 0.000 0.505 33 D N 0.256 120.619 120.400 -0.061 0.000 2.313 33 D HA 0.047 4.691 4.640 0.008 0.000 0.239 33 D C -1.889 174.400 176.300 -0.018 0.000 1.142 33 D CA -2.546 51.443 54.000 -0.019 0.000 0.847 33 D CB 1.437 42.263 40.800 0.043 0.000 1.082 33 D HN -0.163 nan 8.370 nan 0.000 0.480 34 P HA 0.062 nan 4.420 nan 0.000 0.226 34 P C 0.265 177.567 177.300 0.003 0.000 1.161 34 P CA 0.546 63.629 63.100 -0.028 0.000 0.804 34 P CB 0.474 32.138 31.700 -0.060 0.000 0.829 35 D N -0.255 120.149 120.400 0.007 0.000 2.340 35 D HA 0.003 4.648 4.640 0.008 0.000 0.220 35 D C 0.714 177.034 176.300 0.034 0.000 1.039 35 D CA 0.336 54.346 54.000 0.017 0.000 0.866 35 D CB 0.043 40.849 40.800 0.009 0.000 0.913 35 D HN 0.236 nan 8.370 nan 0.000 0.523 36 S N 0.794 116.525 115.700 0.052 0.000 2.584 36 S HA 0.023 4.498 4.470 0.008 0.000 0.270 36 S C 1.196 175.841 174.600 0.075 0.000 1.346 36 S CA -0.409 57.831 58.200 0.066 0.000 1.018 36 S CB 2.089 65.352 63.200 0.104 0.000 0.899 36 S HN -0.166 nan 8.310 nan 0.000 0.542 37 E N 1.434 121.667 120.200 0.055 0.000 2.152 37 E HA -0.091 4.264 4.350 0.008 0.000 0.192 37 E C 2.071 178.723 176.600 0.086 0.000 0.983 37 E CA 1.123 57.554 56.400 0.052 0.000 0.818 37 E CB -0.449 29.263 29.700 0.019 0.000 0.758 37 E HN 0.780 nan 8.360 nan 0.000 0.467 38 Q N -0.210 119.646 119.800 0.093 0.000 2.020 38 Q HA -0.091 4.254 4.340 0.008 0.000 0.202 38 Q C 2.262 178.485 176.000 0.370 0.000 0.982 38 Q CA 2.158 58.046 55.803 0.143 0.000 0.838 38 Q CB -0.713 28.040 28.738 0.026 0.000 0.899 38 Q HN 0.186 nan 8.270 nan 0.000 0.423 39 T N 0.948 115.719 114.554 0.362 0.000 2.674 39 T HA -0.132 4.222 4.350 0.008 0.000 0.265 39 T C 1.586 176.449 174.700 0.272 0.000 1.039 39 T CA 1.345 63.635 62.100 0.316 0.000 1.150 39 T CB -0.192 68.774 68.868 0.163 0.000 0.864 39 T HN 0.207 nan 8.240 nan 0.000 0.427 40 K N 1.259 121.762 120.400 0.172 0.000 2.074 40 K HA -0.082 4.242 4.320 0.008 0.000 0.209 40 K C 2.589 179.268 176.600 0.131 0.000 1.048 40 K CA 1.427 57.786 56.287 0.121 0.000 0.926 40 K CB -0.359 32.189 32.500 0.079 0.000 0.713 40 K HN 0.317 nan 8.250 nan 0.000 0.444 41 A N 0.591 123.504 122.820 0.154 0.000 2.067 41 A HA -0.132 4.193 4.320 0.008 0.000 0.219 41 A C 1.853 179.543 177.584 0.176 0.000 1.158 41 A CA 0.841 52.959 52.037 0.135 0.000 0.661 41 A CB -0.462 18.611 19.000 0.122 0.000 0.801 41 A HN 0.360 nan 8.150 nan 0.000 0.452 42 F N 0.050 120.069 119.950 0.115 0.000 2.094 42 F HA -0.054 4.478 4.527 0.008 0.000 0.291 42 F C 2.197 178.021 175.800 0.041 0.000 1.109 42 F CA 1.718 59.784 58.000 0.110 0.000 1.221 42 F CB -0.483 38.606 39.000 0.149 0.000 1.014 42 F HN -0.004 nan 8.300 nan 0.000 0.473 43 V N 0.954 120.896 119.914 0.047 0.000 2.252 43 V HA -0.359 3.765 4.120 0.008 0.000 0.249 43 V C 2.465 178.474 176.094 -0.141 0.000 1.056 43 V CA 2.481 64.727 62.300 -0.090 0.000 1.022 43 V CB -0.711 31.129 31.823 0.028 0.000 0.641 43 V HN 0.459 nan 8.190 nan 0.000 0.445 44 E N -0.350 119.816 120.200 -0.056 0.000 2.033 44 E HA -0.293 4.062 4.350 0.008 0.000 0.199 44 E C 2.309 178.864 176.600 -0.075 0.000 1.011 44 E CA 1.593 57.967 56.400 -0.043 0.000 0.815 44 E CB -0.329 29.371 29.700 -0.000 0.000 0.755 44 E HN 0.562 nan 8.360 nan 0.000 0.451 45 A N 1.073 123.840 122.820 -0.088 0.000 1.915 45 A HA -0.296 4.028 4.320 0.008 0.000 0.220 45 A C 2.113 179.610 177.584 -0.146 0.000 1.198 45 A CA 1.980 53.960 52.037 -0.094 0.000 0.647 45 A CB -0.647 18.305 19.000 -0.080 0.000 0.825 45 A HN 0.320 nan 8.150 nan 0.000 0.456 46 Q N -0.561 119.067 119.800 -0.287 0.000 2.079 46 Q HA -0.112 4.233 4.340 0.008 0.000 0.200 46 Q C 1.738 177.666 176.000 -0.121 0.000 0.974 46 Q CA 1.297 56.942 55.803 -0.265 0.000 0.840 46 Q CB -0.551 27.922 28.738 -0.441 0.000 0.898 46 Q HN 0.671 nan 8.270 nan 0.000 0.430 47 N N 1.012 119.652 118.700 -0.099 0.000 2.364 47 N HA -0.120 4.625 4.740 0.008 0.000 0.183 47 N C 1.847 177.370 175.510 0.023 0.000 1.022 47 N CA 1.669 54.713 53.050 -0.011 0.000 0.883 47 N CB -0.132 38.341 38.487 -0.023 0.000 0.965 47 N HN 0.375 nan 8.380 nan 0.000 0.438 48 K N 1.426 121.824 120.400 -0.003 0.000 2.211 48 K HA -0.008 4.317 4.320 0.008 0.000 0.203 48 K C 1.817 178.440 176.600 0.038 0.000 1.050 48 K CA 1.286 57.584 56.287 0.019 0.000 0.945 48 K CB -0.856 31.648 32.500 0.007 0.000 0.732 48 K HN 0.571 nan 8.250 nan 0.000 0.451 49 I N -4.101 116.490 120.570 0.035 0.000 3.854 49 I HA 0.129 4.304 4.170 0.008 0.000 0.312 49 I C 1.713 177.887 176.117 0.095 0.000 1.273 49 I CA 0.750 62.086 61.300 0.059 0.000 1.298 49 I CB 0.383 38.412 38.000 0.049 0.000 1.071 49 I HN 0.042 nan 8.210 nan 0.000 0.428 50 T N 1.789 116.397 114.554 0.089 0.000 2.866 50 T HA 0.041 4.396 4.350 0.008 0.000 0.250 50 T C 2.140 176.946 174.700 0.176 0.000 1.033 50 T CA 1.347 63.528 62.100 0.134 0.000 1.145 50 T CB -0.161 68.766 68.868 0.097 0.000 0.866 50 T HN 0.155 nan 8.240 nan 0.000 0.434 51 V N 2.932 122.927 119.914 0.135 0.000 2.220 51 V HA -0.195 3.929 4.120 0.008 0.000 0.250 51 V C -0.420 175.738 176.094 0.106 0.000 1.056 51 V CA 2.100 64.461 62.300 0.102 0.000 1.016 51 V CB -2.019 29.863 31.823 0.097 0.000 0.639 51 V HN 0.342 nan 8.190 nan 0.000 0.446 52 P HA -0.227 nan 4.420 nan 0.000 0.213 52 P C 1.767 179.151 177.300 0.141 0.000 1.176 52 P CA 1.725 64.889 63.100 0.107 0.000 0.919 52 P CB -0.275 31.491 31.700 0.110 0.000 0.791 53 F N -0.021 119.959 119.950 0.049 0.000 2.063 53 F HA -0.276 4.255 4.527 0.008 0.000 0.297 53 F C 2.107 177.950 175.800 0.072 0.000 1.099 53 F CA 1.732 59.774 58.000 0.069 0.000 1.220 53 F CB -1.102 37.962 39.000 0.106 0.000 0.972 53 F HN -0.224 nan 8.300 nan 0.000 0.487 54 L N -0.322 121.003 121.223 0.170 0.000 2.027 54 L HA -0.187 4.158 4.340 0.008 0.000 0.206 54 L C 2.215 179.073 176.870 -0.019 0.000 1.074 54 L CA 1.724 56.598 54.840 0.056 0.000 0.745 54 L CB -0.804 41.297 42.059 0.069 0.000 0.898 54 L HN 0.177 nan 8.230 nan 0.000 0.433 55 E N -0.233 119.968 120.200 0.001 0.000 2.482 55 E HA -0.160 4.194 4.350 0.008 0.000 0.196 55 E C 1.885 178.466 176.600 -0.031 0.000 1.047 55 E CA 0.346 56.738 56.400 -0.013 0.000 0.869 55 E CB 0.023 29.727 29.700 0.006 0.000 0.836 55 E HN 0.610 nan 8.360 nan 0.000 0.520 56 Q N 0.119 119.887 119.800 -0.053 0.000 2.269 56 Q HA 0.008 4.352 4.340 0.008 0.000 0.201 56 Q C 0.975 176.918 176.000 -0.094 0.000 0.946 56 Q CA 0.213 55.976 55.803 -0.067 0.000 0.877 56 Q CB 0.300 28.995 28.738 -0.071 0.000 0.963 56 Q HN 0.141 nan 8.270 nan 0.000 0.472 57 C N 2.684 121.909 119.300 -0.126 0.000 2.555 57 C HA 0.215 4.680 4.460 0.008 0.000 0.385 57 C C -1.474 173.470 174.990 -0.076 0.000 1.296 57 C CA -1.843 57.107 59.018 -0.113 0.000 1.757 57 C CB 0.230 27.890 27.740 -0.133 0.000 2.445 57 C HN 0.282 nan 8.230 nan 0.000 0.571 58 P HA -0.012 nan 4.420 nan 0.000 0.236 58 P C 0.971 178.203 177.300 -0.113 0.000 1.172 58 P CA 0.717 63.770 63.100 -0.079 0.000 0.759 58 P CB -0.059 31.601 31.700 -0.066 0.000 0.843 59 I N -1.078 119.441 120.570 -0.086 0.000 3.228 59 I HA 0.051 4.226 4.170 0.008 0.000 0.279 59 I C 2.356 178.419 176.117 -0.089 0.000 1.221 59 I CA 0.429 61.664 61.300 -0.108 0.000 1.458 59 I CB -0.116 37.909 38.000 0.040 0.000 1.105 59 I HN -0.266 nan 8.210 nan 0.000 0.445 60 R N 0.261 120.737 120.500 -0.041 0.000 2.070 60 R HA -0.128 4.216 4.340 0.008 0.000 0.233 60 R C 2.239 178.534 176.300 -0.009 0.000 1.137 60 R CA 1.761 57.863 56.100 0.003 0.000 0.945 60 R CB -0.842 29.453 30.300 -0.009 0.000 0.845 60 R HN 0.411 nan 8.270 nan 0.000 0.430 61 G N 0.943 109.703 108.800 -0.067 0.000 2.422 61 G HA2 -0.185 3.779 3.960 0.008 0.000 0.218 61 G HA3 -0.185 3.779 3.960 0.008 0.000 0.218 61 G C 1.439 176.242 174.900 -0.160 0.000 1.140 61 G CA 0.349 45.400 45.100 -0.082 0.000 0.775 61 G HN 0.176 nan 8.290 nan 0.000 0.545 62 L N -0.978 120.059 121.223 -0.310 0.000 1.961 62 L HA -0.108 4.236 4.340 0.008 0.000 0.210 62 L C 2.490 179.077 176.870 -0.472 0.000 1.072 62 L CA 1.853 56.330 54.840 -0.605 0.000 0.749 62 L CB -0.787 40.522 42.059 -1.250 0.000 0.889 62 L HN 0.291 nan 8.230 nan 0.000 0.432 63 Y N 1.201 121.220 120.300 -0.468 0.000 2.014 63 Y HA -0.437 4.117 4.550 0.008 0.000 0.272 63 Y C 2.874 178.770 175.900 -0.007 0.000 1.164 63 Y CA 2.637 60.692 58.100 -0.075 0.000 1.114 63 Y CB -0.266 38.241 38.460 0.079 0.000 0.961 63 Y HN 0.104 nan 8.280 nan 0.000 0.489 64 K N 0.438 120.963 120.400 0.208 0.000 2.077 64 K HA -0.329 3.996 4.320 0.008 0.000 0.213 64 K C 2.218 178.841 176.600 0.039 0.000 1.051 64 K CA 2.259 58.627 56.287 0.134 0.000 0.929 64 K CB -0.548 32.000 32.500 0.081 0.000 0.715 64 K HN 0.576 nan 8.250 nan 0.000 0.451 65 E N 0.345 120.535 120.200 -0.016 0.000 2.072 65 E HA -0.259 4.096 4.350 0.008 0.000 0.191 65 E C 2.195 178.785 176.600 -0.017 0.000 0.985 65 E CA 1.216 57.603 56.400 -0.022 0.000 0.801 65 E CB -0.148 29.520 29.700 -0.053 0.000 0.750 65 E HN 0.259 nan 8.360 nan 0.000 0.452 66 R N 0.533 121.004 120.500 -0.048 0.000 2.092 66 R HA -0.107 4.237 4.340 0.008 0.000 0.231 66 R C 2.450 178.738 176.300 -0.020 0.000 1.119 66 R CA 1.813 57.906 56.100 -0.013 0.000 0.970 66 R CB -0.668 29.658 30.300 0.044 0.000 0.864 66 R HN 0.295 nan 8.270 nan 0.000 0.440 67 M N -0.292 119.251 119.600 -0.095 0.000 2.086 67 M HA -0.111 4.373 4.480 0.008 0.000 0.261 67 M C 1.677 178.034 176.300 0.095 0.000 1.067 67 M CA 2.200 57.471 55.300 -0.048 0.000 1.116 67 M CB -0.626 31.952 32.600 -0.036 0.000 1.348 67 M HN 0.148 nan 8.290 nan 0.000 0.407 68 T N 0.328 114.933 114.554 0.086 0.000 2.803 68 T HA -0.208 4.147 4.350 0.008 0.000 0.269 68 T C 1.678 176.455 174.700 0.128 0.000 1.052 68 T CA 1.821 63.994 62.100 0.121 0.000 1.136 68 T CB -0.371 68.543 68.868 0.076 0.000 0.864 68 T HN 0.647 nan 8.240 nan 0.000 0.467 69 E N 0.601 120.862 120.200 0.101 0.000 2.021 69 E HA -0.005 4.350 4.350 0.008 0.000 0.189 69 E C 2.199 178.883 176.600 0.140 0.000 0.980 69 E CA 0.502 56.961 56.400 0.099 0.000 0.803 69 E CB -0.142 29.602 29.700 0.073 0.000 0.766 69 E HN 0.377 nan 8.360 nan 0.000 0.449 70 L N 0.255 121.570 121.223 0.153 0.000 2.191 70 L HA -0.157 4.188 4.340 0.008 0.000 0.212 70 L C 2.265 179.333 176.870 0.331 0.000 1.103 70 L CA 0.907 55.861 54.840 0.191 0.000 0.769 70 L CB -0.336 41.809 42.059 0.143 0.000 0.908 70 L HN 0.315 nan 8.230 nan 0.000 0.438 71 Y N 0.213 120.624 120.300 0.185 0.000 2.529 71 Y HA -0.024 4.531 4.550 0.008 0.000 0.290 71 Y C 0.847 176.849 175.900 0.171 0.000 1.177 71 Y CA -0.204 58.044 58.100 0.248 0.000 1.305 71 Y CB -0.140 38.398 38.460 0.129 0.000 1.047 71 Y HN 0.059 nan 8.280 nan 0.000 0.522 72 D N 1.228 121.715 120.400 0.145 0.000 2.558 72 D HA 0.090 4.734 4.640 0.008 0.000 0.221 72 D C -1.226 175.111 176.300 0.061 0.000 1.143 72 D CA 0.073 54.077 54.000 0.007 0.000 1.010 72 D CB -1.078 39.752 40.800 0.049 0.000 1.068 72 D HN 0.340 nan 8.370 nan 0.000 0.511 73 Y N -0.698 119.511 120.300 -0.151 0.000 2.562 73 Y HA 0.690 5.244 4.550 0.008 0.000 0.345 73 Y C -2.971 172.837 175.900 -0.153 0.000 1.045 73 Y CA -3.191 54.845 58.100 -0.106 0.000 1.028 73 Y CB 0.700 39.121 38.460 -0.064 0.000 1.297 73 Y HN -0.095 nan 8.280 nan 0.000 0.463 74 P HA 0.146 nan 4.420 nan 0.000 0.266 74 P C -1.430 175.754 177.300 -0.193 0.000 1.215 74 P CA 0.012 63.017 63.100 -0.158 0.000 0.763 74 P CB 0.386 32.075 31.700 -0.017 0.000 0.806 75 K N 3.928 124.111 120.400 -0.361 0.000 2.464 75 K HA 0.381 4.706 4.320 0.008 0.000 0.252 75 K C -0.616 175.996 176.600 0.021 0.000 1.000 75 K CA -0.456 55.739 56.287 -0.155 0.000 0.951 75 K CB 0.686 33.018 32.500 -0.280 0.000 1.183 75 K HN 0.353 nan 8.250 nan 0.000 0.445 76 Y N -0.139 120.321 120.300 0.268 0.000 2.534 76 Y HA 0.442 4.996 4.550 0.008 0.000 0.329 76 Y C 1.025 177.089 175.900 0.274 0.000 1.154 76 Y CA -0.977 57.324 58.100 0.336 0.000 1.192 76 Y CB 1.477 40.083 38.460 0.242 0.000 1.275 76 Y HN 0.537 nan 8.280 nan 0.000 0.491 77 S N -0.590 115.418 115.700 0.513 0.000 2.786 77 S HA 0.548 5.023 4.470 0.008 0.000 0.307 77 S C -0.512 174.267 174.600 0.298 0.000 1.121 77 S CA -0.823 57.615 58.200 0.396 0.000 0.975 77 S CB 0.908 64.402 63.200 0.491 0.000 1.220 77 S HN 0.722 nan 8.310 nan 0.000 0.550 78 C N 1.375 120.827 119.300 0.254 0.000 2.689 78 C HA 0.391 4.855 4.460 0.008 0.000 0.409 78 C C 0.607 175.623 174.990 0.043 0.000 1.293 78 C CA 0.085 59.177 59.018 0.124 0.000 2.136 78 C CB -1.215 26.623 27.740 0.163 0.000 2.719 78 C HN 0.902 nan 8.230 nan 0.000 0.644 79 H N 1.160 119.919 119.070 -0.517 0.000 2.582 79 H HA 0.523 5.084 4.556 0.008 0.000 0.345 79 H C -0.279 174.829 175.328 -0.367 0.000 1.104 79 H CA 0.631 56.303 56.048 -0.627 0.000 1.390 79 H CB 0.454 29.379 29.762 -1.395 0.000 1.461 79 H HN 0.545 nan 8.280 nan 0.000 0.551 80 F N 0.456 120.355 119.950 -0.085 0.000 2.591 80 F HA 0.451 4.983 4.527 0.008 0.000 0.309 80 F C -1.050 174.733 175.800 -0.028 0.000 1.098 80 F CA -1.338 56.641 58.000 -0.035 0.000 0.937 80 F CB 1.206 40.200 39.000 -0.009 0.000 1.250 80 F HN 0.293 nan 8.300 nan 0.000 0.447 81 K N 2.894 123.285 120.400 -0.014 0.000 2.185 81 K HA 0.577 4.902 4.320 0.008 0.000 0.269 81 K C -1.466 175.036 176.600 -0.163 0.000 0.987 81 K CA -0.723 55.361 56.287 -0.339 0.000 0.865 81 K CB 1.233 33.345 32.500 -0.646 0.000 1.090 81 K HN 0.666 nan 8.250 nan 0.000 0.450 82 K N 2.462 122.728 120.400 -0.223 0.000 2.463 82 K HA 0.425 4.750 4.320 0.008 0.000 0.255 82 K C 0.004 176.488 176.600 -0.193 0.000 0.942 82 K CA 0.360 56.489 56.287 -0.264 0.000 0.814 82 K CB 1.483 33.516 32.500 -0.778 0.000 1.122 82 K HN 0.909 nan 8.250 nan 0.000 0.425 83 G N 3.370 112.085 108.800 -0.141 0.000 2.561 83 G HA2 -0.379 3.586 3.960 0.008 0.000 0.289 83 G HA3 -0.379 3.586 3.960 0.008 0.000 0.289 83 G C 0.275 175.089 174.900 -0.144 0.000 1.169 83 G CA 0.674 45.706 45.100 -0.113 0.000 0.980 83 G HN 0.646 nan 8.290 nan 0.000 0.550 84 K N 1.171 121.485 120.400 -0.144 0.000 2.373 84 K HA 0.291 4.616 4.320 0.008 0.000 0.202 84 K C 0.756 177.226 176.600 -0.216 0.000 1.025 84 K CA -0.082 56.112 56.287 -0.155 0.000 1.115 84 K CB 0.518 32.961 32.500 -0.095 0.000 0.858 84 K HN 0.626 nan 8.250 nan 0.000 0.525 85 R N 0.342 120.673 120.500 -0.283 0.000 2.787 85 R HA 0.374 4.718 4.340 0.008 0.000 0.271 85 R C -1.096 174.861 176.300 -0.571 0.000 0.993 85 R CA -0.805 55.053 56.100 -0.402 0.000 0.993 85 R CB 0.760 30.737 30.300 -0.538 0.000 1.155 85 R HN -0.057 nan 8.270 nan 0.000 0.486 86 Y N 0.196 120.183 120.300 -0.522 0.000 2.457 86 Y HA 0.479 5.033 4.550 0.008 0.000 0.333 86 Y C -0.404 174.993 175.900 -0.839 0.000 1.119 86 Y CA -0.309 57.531 58.100 -0.435 0.000 1.143 86 Y CB 1.412 39.762 38.460 -0.184 0.000 1.230 86 Y HN 0.365 nan 8.280 nan 0.000 0.469 87 F N 1.230 120.758 119.950 -0.703 0.000 2.626 87 F HA 0.570 5.102 4.527 0.008 0.000 0.311 87 F C -1.214 174.006 175.800 -0.967 0.000 1.088 87 F CA -1.342 56.047 58.000 -1.019 0.000 0.949 87 F CB 2.053 40.100 39.000 -1.588 0.000 1.322 87 F HN 0.392 nan 8.300 nan 0.000 0.461 88 Y N -0.565 119.383 120.300 -0.586 0.000 2.521 88 Y HA 0.614 5.169 4.550 0.008 0.000 0.326 88 Y C -2.178 173.647 175.900 -0.125 0.000 1.176 88 Y CA -2.123 55.759 58.100 -0.363 0.000 1.079 88 Y CB 0.317 38.403 38.460 -0.623 0.000 1.341 88 Y HN 0.434 nan 8.280 nan 0.000 0.456 89 F N 3.975 124.081 119.950 0.259 0.000 2.384 89 F HA 0.532 5.064 4.527 0.008 0.000 0.338 89 F C -0.357 175.692 175.800 0.415 0.000 1.103 89 F CA -0.187 57.952 58.000 0.233 0.000 1.157 89 F CB 1.048 40.173 39.000 0.207 0.000 1.167 89 F HN 0.645 nan 8.300 nan 0.000 0.529 90 Y N 3.338 123.879 120.300 0.401 0.000 2.544 90 Y HA 0.387 4.941 4.550 0.008 0.000 0.342 90 Y C -1.677 174.306 175.900 0.137 0.000 1.062 90 Y CA -1.748 56.507 58.100 0.259 0.000 1.023 90 Y CB 1.612 40.215 38.460 0.239 0.000 1.308 90 Y HN 0.574 nan 8.280 nan 0.000 0.457 91 N N 3.280 121.616 118.700 -0.605 0.000 2.540 91 N HA 0.107 4.851 4.740 0.008 0.000 0.275 91 N C 0.366 175.307 175.510 -0.949 0.000 1.053 91 N CA 0.427 53.096 53.050 -0.634 0.000 0.876 91 N CB 1.739 40.026 38.487 -0.334 0.000 1.284 91 N HN 0.927 nan 8.380 nan 0.000 0.518 92 T N 0.341 114.306 114.554 -0.982 0.000 2.836 92 T HA -0.047 4.307 4.350 0.008 0.000 0.268 92 T C 1.226 175.708 174.700 -0.364 0.000 1.080 92 T CA 1.889 63.621 62.100 -0.614 0.000 1.128 92 T CB 0.033 68.729 68.868 -0.286 0.000 0.839 92 T HN 0.685 nan 8.240 nan 0.000 0.507 93 G N 0.624 109.192 108.800 -0.387 0.000 4.386 93 G HA2 0.025 3.990 3.960 0.008 0.000 0.185 93 G HA3 0.025 3.990 3.960 0.008 0.000 0.185 93 G C 0.463 175.165 174.900 -0.330 0.000 1.725 93 G CA -0.069 44.815 45.100 -0.361 0.000 0.941 93 G HN 0.437 nan 8.290 nan 0.000 0.315 94 L N 1.837 122.950 121.223 -0.184 0.000 3.066 94 L HA 0.385 4.730 4.340 0.008 0.000 0.265 94 L C 0.481 177.315 176.870 -0.060 0.000 1.232 94 L CA -0.075 54.714 54.840 -0.085 0.000 1.031 94 L CB 0.815 42.862 42.059 -0.020 0.000 1.379 94 L HN 0.269 nan 8.230 nan 0.000 0.563 95 Q N 0.184 119.920 119.800 -0.107 0.000 2.314 95 Q HA 0.067 4.412 4.340 0.008 0.000 0.258 95 Q C 0.624 176.599 176.000 -0.041 0.000 0.954 95 Q CA -0.351 55.407 55.803 -0.075 0.000 0.890 95 Q CB 1.138 29.811 28.738 -0.109 0.000 1.210 95 Q HN 0.164 nan 8.270 nan 0.000 0.410 96 N N 1.104 119.795 118.700 -0.015 0.000 2.094 96 N HA -0.147 4.597 4.740 0.008 0.000 0.191 96 N C -0.190 175.319 175.510 -0.002 0.000 1.023 96 N CA 1.429 54.481 53.050 0.004 0.000 0.857 96 N CB 0.314 38.804 38.487 0.005 0.000 1.013 96 N HN 0.509 nan 8.380 nan 0.000 0.426 97 Q N 0.331 120.121 119.800 -0.017 0.000 2.347 97 Q HA 0.227 4.572 4.340 0.008 0.000 0.271 97 Q C -0.417 175.566 176.000 -0.028 0.000 1.064 97 Q CA -0.569 55.222 55.803 -0.020 0.000 0.800 97 Q CB 2.873 31.604 28.738 -0.012 0.000 1.304 97 Q HN 0.366 nan 8.270 nan 0.000 0.438 98 R N -0.221 120.261 120.500 -0.030 0.000 2.679 98 R HA 0.525 4.869 4.340 0.008 0.000 0.269 98 R C -0.503 175.857 176.300 0.101 0.000 1.076 98 R CA -0.399 55.706 56.100 0.009 0.000 1.160 98 R CB 0.321 30.637 30.300 0.027 0.000 1.054 98 R HN 0.205 nan 8.270 nan 0.000 0.507 99 V N 2.723 122.731 119.914 0.156 0.000 2.630 99 V HA 0.247 4.371 4.120 0.008 0.000 0.305 99 V C -0.301 175.884 176.094 0.152 0.000 1.046 99 V CA -1.137 61.221 62.300 0.096 0.000 0.934 99 V CB 1.474 33.229 31.823 -0.113 0.000 1.003 99 V HN 0.627 nan 8.190 nan 0.000 0.451 100 L N 4.848 126.044 121.223 -0.046 0.000 2.260 100 L HA 0.498 4.843 4.340 0.008 0.000 0.289 100 L C -0.926 175.685 176.870 -0.431 0.000 1.057 100 L CA 0.337 54.962 54.840 -0.357 0.000 0.811 100 L CB 0.096 41.930 42.059 -0.375 0.000 1.184 100 L HN 0.529 nan 8.230 nan 0.000 0.429 101 Y N 3.531 123.515 120.300 -0.526 0.000 2.453 101 Y HA 0.675 5.229 4.550 0.008 0.000 0.326 101 Y C -0.093 175.458 175.900 -0.582 0.000 1.186 101 Y CA -0.371 57.402 58.100 -0.545 0.000 1.200 101 Y CB 2.009 39.953 38.460 -0.861 0.000 1.247 101 Y HN 0.403 nan 8.280 nan 0.000 0.482 102 V N 3.044 122.759 119.914 -0.331 0.000 2.841 102 V HA 0.598 4.722 4.120 0.008 0.000 0.310 102 V C -1.827 174.038 176.094 -0.382 0.000 1.090 102 V CA -0.454 61.455 62.300 -0.652 0.000 0.930 102 V CB 1.958 33.315 31.823 -0.775 0.000 1.014 102 V HN 0.895 nan 8.190 nan 0.000 0.425 103 Q N 3.678 123.231 119.800 -0.411 0.000 2.309 103 Q HA 0.501 4.846 4.340 0.008 0.000 0.273 103 Q C -0.963 174.927 176.000 -0.183 0.000 1.040 103 Q CA -0.816 54.871 55.803 -0.193 0.000 0.834 103 Q CB 2.212 30.917 28.738 -0.055 0.000 1.345 103 Q HN 0.650 nan 8.270 nan 0.000 0.414 104 D N 0.828 121.150 120.400 -0.129 0.000 2.363 104 D HA 0.001 4.646 4.640 0.008 0.000 0.226 104 D C -0.138 176.161 176.300 -0.001 0.000 1.020 104 D CA 0.771 54.717 54.000 -0.090 0.000 0.892 104 D CB 0.594 41.346 40.800 -0.079 0.000 0.900 104 D HN 0.387 nan 8.370 nan 0.000 0.531 105 S N -0.108 115.601 115.700 0.015 0.000 2.556 105 S HA 0.073 4.548 4.470 0.008 0.000 0.280 105 S C 0.009 174.534 174.600 -0.125 0.000 1.141 105 S CA -0.691 57.515 58.200 0.010 0.000 0.883 105 S CB 1.116 64.303 63.200 -0.022 0.000 1.103 105 S HN -0.097 nan 8.310 nan 0.000 0.453 106 L N 3.554 124.578 121.223 -0.332 0.000 2.450 106 L HA 0.130 4.475 4.340 0.008 0.000 0.225 106 L C 1.343 178.064 176.870 -0.249 0.000 1.145 106 L CA 2.078 56.644 54.840 -0.456 0.000 0.801 106 L CB -0.799 40.913 42.059 -0.579 0.000 0.924 106 L HN 0.825 nan 8.230 nan 0.000 0.447 107 E N -1.955 118.144 120.200 -0.168 0.000 2.562 107 E HA 0.214 4.568 4.350 0.008 0.000 0.214 107 E C 1.124 177.666 176.600 -0.098 0.000 0.979 107 E CA 0.251 56.571 56.400 -0.132 0.000 1.002 107 E CB 0.233 29.868 29.700 -0.109 0.000 1.048 107 E HN 0.451 nan 8.360 nan 0.000 0.488 108 G N 1.117 109.867 108.800 -0.084 0.000 2.611 108 G HA2 0.024 3.989 3.960 0.008 0.000 0.273 108 G HA3 0.024 3.989 3.960 0.008 0.000 0.273 108 G C -0.444 174.424 174.900 -0.054 0.000 1.305 108 G CA -0.399 44.665 45.100 -0.061 0.000 1.010 108 G HN 0.031 nan 8.290 nan 0.000 0.509 109 E N 0.050 120.226 120.200 -0.040 0.000 2.055 109 E HA 0.473 4.828 4.350 0.008 0.000 0.274 109 E C 0.497 177.093 176.600 -0.006 0.000 0.949 109 E CA -0.664 55.721 56.400 -0.025 0.000 0.775 109 E CB 0.805 30.492 29.700 -0.021 0.000 1.097 109 E HN 0.613 nan 8.360 nan 0.000 0.404 110 A N 4.857 127.689 122.820 0.020 0.000 2.547 110 A HA 0.094 4.419 4.320 0.008 0.000 0.233 110 A C 0.176 177.827 177.584 0.111 0.000 1.067 110 A CA 0.342 52.418 52.037 0.066 0.000 0.763 110 A CB 0.263 19.334 19.000 0.120 0.000 1.007 110 A HN 0.799 nan 8.150 nan 0.000 0.506 111 R N 0.790 121.371 120.500 0.135 0.000 2.584 111 R HA 0.502 4.847 4.340 0.008 0.000 0.276 111 R C -1.581 174.737 176.300 0.030 0.000 1.046 111 R CA -0.841 55.333 56.100 0.124 0.000 0.906 111 R CB 0.682 31.002 30.300 0.033 0.000 1.215 111 R HN 0.429 nan 8.270 nan 0.000 0.449 112 V N 4.216 124.076 119.914 -0.089 0.000 2.625 112 V HA -0.099 4.025 4.120 0.008 0.000 0.305 112 V C 0.638 176.633 176.094 -0.165 0.000 1.055 112 V CA 0.760 62.826 62.300 -0.391 0.000 1.209 112 V CB -0.435 31.218 31.823 -0.284 0.000 0.877 112 V HN 0.777 nan 8.190 nan 0.000 0.489 113 F N 4.686 124.406 119.950 -0.384 0.000 2.537 113 F HA 0.454 4.986 4.527 0.008 0.000 0.277 113 F C 0.581 176.228 175.800 -0.255 0.000 1.013 113 F CA 0.381 58.224 58.000 -0.261 0.000 1.332 113 F CB 0.569 39.430 39.000 -0.232 0.000 1.108 113 F HN 0.318 nan 8.300 nan 0.000 0.679 114 L N 1.718 122.764 121.223 -0.296 0.000 2.555 114 L HA 0.293 4.638 4.340 0.008 0.000 0.264 114 L C -1.902 174.846 176.870 -0.203 0.000 0.972 114 L CA -0.481 54.153 54.840 -0.343 0.000 0.876 114 L CB 1.144 42.961 42.059 -0.404 0.000 1.216 114 L HN -0.082 nan 8.230 nan 0.000 0.415 115 D N 6.364 126.657 120.400 -0.178 0.000 2.454 115 D HA 0.377 5.021 4.640 0.008 0.000 0.225 115 D C -1.846 174.411 176.300 -0.072 0.000 1.081 115 D CA -1.877 52.053 54.000 -0.116 0.000 0.864 115 D CB 1.913 42.643 40.800 -0.116 0.000 1.040 115 D HN 0.224 nan 8.370 nan 0.000 0.517 116 P HA 0.021 nan 4.420 nan 0.000 0.237 116 P C 0.956 178.251 177.300 -0.008 0.000 1.178 116 P CA 0.250 63.345 63.100 -0.009 0.000 0.766 116 P CB 0.388 32.096 31.700 0.013 0.000 0.876 117 N N 0.378 119.066 118.700 -0.019 0.000 2.289 117 N HA -0.086 4.659 4.740 0.008 0.000 0.184 117 N C 1.498 177.000 175.510 -0.014 0.000 1.016 117 N CA 0.923 53.963 53.050 -0.016 0.000 0.872 117 N CB -0.345 38.128 38.487 -0.023 0.000 0.973 117 N HN 0.321 nan 8.380 nan 0.000 0.433 118 I N -1.734 118.826 120.570 -0.018 0.000 3.812 118 I HA 0.089 4.263 4.170 0.008 0.000 0.320 118 I C 0.743 176.856 176.117 -0.006 0.000 1.276 118 I CA 0.305 61.597 61.300 -0.013 0.000 1.164 118 I CB -0.267 37.721 38.000 -0.020 0.000 1.009 118 I HN -0.058 nan 8.210 nan 0.000 0.431 119 L N 1.211 122.433 121.223 -0.001 0.000 2.513 119 L HA 0.226 4.571 4.340 0.008 0.000 0.222 119 L C 0.522 177.394 176.870 0.002 0.000 1.096 119 L CA 0.209 55.053 54.840 0.007 0.000 0.857 119 L CB -0.130 41.941 42.059 0.020 0.000 1.026 119 L HN 0.449 nan 8.230 nan 0.000 0.469 120 S N -2.764 112.935 115.700 -0.000 0.000 2.603 120 S HA 0.259 4.734 4.470 0.008 0.000 0.274 120 S C -0.135 174.464 174.600 -0.002 0.000 1.168 120 S CA -0.809 57.389 58.200 -0.003 0.000 0.963 120 S CB 1.765 64.962 63.200 -0.005 0.000 1.078 120 S HN -0.083 nan 8.310 nan 0.000 0.477 121 D N 1.792 122.191 120.400 -0.002 0.000 2.265 121 D HA -0.074 4.570 4.640 0.008 0.000 0.208 121 D C 0.781 177.082 176.300 0.002 0.000 0.977 121 D CA 1.670 55.670 54.000 0.000 0.000 0.871 121 D CB 0.012 40.812 40.800 0.001 0.000 0.925 121 D HN 0.850 nan 8.370 nan 0.000 0.485 122 D N -1.919 118.482 120.400 0.001 0.000 2.440 122 D HA 0.191 4.836 4.640 0.008 0.000 0.216 122 D C 1.259 177.561 176.300 0.004 0.000 1.150 122 D CA 0.203 54.206 54.000 0.004 0.000 0.832 122 D CB -0.181 40.622 40.800 0.005 0.000 0.992 122 D HN 0.051 nan 8.370 nan 0.000 0.502 123 G N 1.283 110.083 108.800 0.001 0.000 2.249 123 G HA2 -0.317 3.648 3.960 0.008 0.000 0.273 123 G HA3 -0.317 3.648 3.960 0.008 0.000 0.273 123 G C 0.820 175.721 174.900 0.002 0.000 1.036 123 G CA 0.940 46.042 45.100 0.002 0.000 0.824 123 G HN 0.608 nan 8.290 nan 0.000 0.504 124 T N -3.154 111.397 114.554 -0.005 0.000 3.206 124 T HA 0.517 4.871 4.350 0.008 0.000 0.253 124 T C 0.397 175.089 174.700 -0.014 0.000 1.042 124 T CA 0.276 62.367 62.100 -0.014 0.000 0.931 124 T CB 0.951 69.799 68.868 -0.033 0.000 1.029 124 T HN 0.626 nan 8.240 nan 0.000 0.564 125 V N 1.811 121.724 119.914 -0.002 0.000 2.350 125 V HA 0.797 4.922 4.120 0.008 0.000 0.285 125 V C 0.156 176.263 176.094 0.022 0.000 1.014 125 V CA -1.006 61.299 62.300 0.009 0.000 0.831 125 V CB 0.640 32.471 31.823 0.013 0.000 1.000 125 V HN 0.661 nan 8.190 nan 0.000 0.433 126 A N 4.512 127.350 122.820 0.030 0.000 2.354 126 A HA 0.914 5.238 4.320 0.008 0.000 0.321 126 A C -0.873 176.748 177.584 0.062 0.000 1.125 126 A CA -0.753 51.304 52.037 0.034 0.000 0.799 126 A CB 1.524 20.538 19.000 0.023 0.000 1.293 126 A HN 0.871 nan 8.150 nan 0.000 0.452 127 L N 0.864 122.127 121.223 0.066 0.000 2.319 127 L HA 0.552 4.896 4.340 0.008 0.000 0.280 127 L C 0.441 177.373 176.870 0.103 0.000 1.099 127 L CA 0.213 55.127 54.840 0.123 0.000 0.828 127 L CB 0.487 42.624 42.059 0.129 0.000 1.150 127 L HN 0.679 nan 8.230 nan 0.000 0.442 128 R N 4.657 125.229 120.500 0.120 0.000 2.494 128 R HA 0.559 4.903 4.340 0.008 0.000 0.284 128 R C -0.636 175.725 176.300 0.101 0.000 1.525 128 R CA 0.133 56.288 56.100 0.092 0.000 1.460 128 R CB 0.441 30.778 30.300 0.061 0.000 1.134 128 R HN 1.019 nan 8.270 nan 0.000 0.592 129 G N 2.946 111.833 108.800 0.144 0.000 2.879 129 G HA2 -0.241 3.724 3.960 0.008 0.000 0.686 129 G HA3 -0.241 3.724 3.960 0.008 0.000 0.686 129 G C -1.324 173.670 174.900 0.157 0.000 1.115 129 G CA -0.271 44.881 45.100 0.088 0.000 0.770 129 G HN 0.610 nan 8.290 nan 0.000 0.601 130 Y N -1.380 118.960 120.300 0.066 0.000 2.588 130 Y HA 0.902 5.456 4.550 0.008 0.000 0.343 130 Y C -0.106 175.808 175.900 0.024 0.000 1.065 130 Y CA -1.283 56.802 58.100 -0.025 0.000 1.038 130 Y CB 1.568 40.124 38.460 0.160 0.000 1.297 130 Y HN 1.961 nan 8.280 nan 0.000 0.467 131 A N 2.534 125.386 122.820 0.053 0.000 2.497 131 A HA 0.633 4.958 4.320 0.008 0.000 0.280 131 A C -1.776 176.028 177.584 0.366 0.000 1.065 131 A CA -0.603 51.582 52.037 0.246 0.000 0.781 131 A CB 0.023 19.195 19.000 0.288 0.000 1.289 131 A HN 0.637 nan 8.150 nan 0.000 0.415 132 F N 1.599 121.782 119.950 0.389 0.000 2.399 132 F HA 0.460 4.992 4.527 0.008 0.000 0.313 132 F C 1.576 177.248 175.800 -0.213 0.000 1.202 132 F CA 0.855 58.965 58.000 0.182 0.000 1.192 132 F CB 1.132 40.208 39.000 0.126 0.000 1.256 132 F HN 0.630 nan 8.300 nan 0.000 0.558 133 S N -0.236 115.276 115.700 -0.313 0.000 2.693 133 S HA 0.199 4.674 4.470 0.008 0.000 0.276 133 S C 0.852 175.368 174.600 -0.140 0.000 1.192 133 S CA -0.682 57.183 58.200 -0.558 0.000 0.994 133 S CB 1.452 64.221 63.200 -0.718 0.000 1.012 133 S HN 0.627 nan 8.310 nan 0.000 0.550 134 E N 1.358 121.482 120.200 -0.127 0.000 2.118 134 E HA -0.217 4.137 4.350 0.008 0.000 0.195 134 E C 1.132 177.676 176.600 -0.094 0.000 0.992 134 E CA 2.042 58.343 56.400 -0.167 0.000 0.804 134 E CB -0.449 29.027 29.700 -0.372 0.000 0.741 134 E HN 0.818 nan 8.360 nan 0.000 0.458 135 D N -1.479 118.876 120.400 -0.075 0.000 2.340 135 D HA 0.075 4.720 4.640 0.008 0.000 0.220 135 D C 1.287 177.547 176.300 -0.067 0.000 1.039 135 D CA 0.758 54.723 54.000 -0.058 0.000 0.866 135 D CB -0.457 40.317 40.800 -0.042 0.000 0.913 135 D HN 0.281 nan 8.370 nan 0.000 0.523 136 G N 0.583 109.352 108.800 -0.052 0.000 2.187 136 G HA2 -0.341 3.623 3.960 0.008 0.000 0.261 136 G HA3 -0.341 3.623 3.960 0.008 0.000 0.261 136 G C 0.916 175.823 174.900 0.012 0.000 1.000 136 G CA 0.556 45.650 45.100 -0.011 0.000 0.718 136 G HN 0.359 nan 8.290 nan 0.000 0.519 137 E N -1.293 118.853 120.200 -0.091 0.000 2.400 137 E HA 0.203 4.558 4.350 0.008 0.000 0.195 137 E C 0.409 176.778 176.600 -0.385 0.000 1.012 137 E CA 0.420 56.674 56.400 -0.243 0.000 0.875 137 E CB 0.253 29.731 29.700 -0.369 0.000 0.859 137 E HN 0.689 nan 8.360 nan 0.000 0.498 138 Y N -0.776 119.527 120.300 0.004 0.000 2.499 138 Y HA 0.427 4.982 4.550 0.008 0.000 0.347 138 Y C -0.730 175.227 175.900 0.094 0.000 0.987 138 Y CA -1.387 56.728 58.100 0.025 0.000 1.044 138 Y CB 1.897 40.248 38.460 -0.182 0.000 1.245 138 Y HN -0.201 nan 8.280 nan 0.000 0.461 139 F N 2.023 122.177 119.950 0.340 0.000 2.569 139 F HA 0.853 5.384 4.527 0.008 0.000 0.312 139 F C -1.522 174.512 175.800 0.389 0.000 1.109 139 F CA -0.740 57.356 58.000 0.160 0.000 0.919 139 F CB 1.286 40.248 39.000 -0.063 0.000 1.211 139 F HN 0.474 nan 8.300 nan 0.000 0.446 140 A N 5.541 128.189 122.820 -0.287 0.000 2.343 140 A HA 0.756 5.080 4.320 0.008 0.000 0.316 140 A C -2.051 175.040 177.584 -0.822 0.000 1.104 140 A CA -0.545 51.113 52.037 -0.633 0.000 0.768 140 A CB 0.692 19.248 19.000 -0.740 0.000 1.213 140 A HN 1.012 nan 8.150 nan 0.000 0.456 141 Y N -0.231 119.567 120.300 -0.837 0.000 2.553 141 Y HA 0.818 5.372 4.550 0.008 0.000 0.347 141 Y C 0.210 175.930 175.900 -0.301 0.000 1.019 141 Y CA -0.992 56.803 58.100 -0.508 0.000 1.032 141 Y CB 1.283 39.530 38.460 -0.356 0.000 1.284 141 Y HN 0.797 nan 8.280 nan 0.000 0.466 142 G N 2.540 111.301 108.800 -0.065 0.000 2.389 142 G HA2 0.651 4.616 3.960 0.008 0.000 0.328 142 G HA3 0.651 4.616 3.960 0.008 0.000 0.328 142 G C -1.627 173.294 174.900 0.036 0.000 1.133 142 G CA -1.037 44.004 45.100 -0.099 0.000 0.891 142 G HN 0.722 nan 8.290 nan 0.000 0.485 143 L N 0.718 121.935 121.223 -0.010 0.000 2.362 143 L HA 0.615 4.959 4.340 0.008 0.000 0.271 143 L C 0.042 176.932 176.870 0.034 0.000 1.002 143 L CA -0.759 54.111 54.840 0.051 0.000 0.818 143 L CB 2.485 44.571 42.059 0.046 0.000 1.298 143 L HN 0.451 nan 8.230 nan 0.000 0.420 144 S N 0.923 116.651 115.700 0.047 0.000 2.526 144 S HA 0.802 5.277 4.470 0.008 0.000 0.293 144 S C -0.685 173.933 174.600 0.031 0.000 1.092 144 S CA -0.532 57.697 58.200 0.049 0.000 0.980 144 S CB 1.988 65.219 63.200 0.052 0.000 1.048 144 S HN 0.642 nan 8.310 nan 0.000 0.483 145 A N 1.913 124.747 122.820 0.023 0.000 2.304 145 A HA 0.715 5.040 4.320 0.008 0.000 0.323 145 A C 0.302 177.844 177.584 -0.070 0.000 1.195 145 A CA -0.530 51.494 52.037 -0.022 0.000 0.826 145 A CB 0.202 19.183 19.000 -0.032 0.000 1.184 145 A HN 1.280 nan 8.150 nan 0.000 0.496 146 S N 1.354 116.989 115.700 -0.108 0.000 3.572 146 S HA -0.124 4.350 4.470 0.008 0.000 0.394 146 S C 1.323 175.900 174.600 -0.039 0.000 0.923 146 S CA 1.532 59.630 58.200 -0.169 0.000 1.291 146 S CB -1.626 61.240 63.200 -0.557 0.000 0.914 146 S HN 2.720 nan 8.310 nan 0.000 0.545 147 G N 0.391 109.203 108.800 0.020 0.000 2.280 147 G HA2 -0.383 3.582 3.960 0.008 0.000 0.282 147 G HA3 -0.383 3.582 3.960 0.008 0.000 0.282 147 G C 0.245 175.210 174.900 0.107 0.000 1.000 147 G CA 0.983 46.126 45.100 0.071 0.000 0.751 147 G HN 1.582 nan 8.290 nan 0.000 0.515 148 S N -0.755 115.013 115.700 0.113 0.000 2.576 148 S HA 0.357 4.832 4.470 0.008 0.000 0.276 148 S C 1.308 175.954 174.600 0.077 0.000 1.339 148 S CA 0.252 58.540 58.200 0.148 0.000 1.039 148 S CB 0.843 64.186 63.200 0.238 0.000 0.902 148 S HN 0.176 nan 8.310 nan 0.000 0.516 149 D N 2.768 123.154 120.400 -0.023 0.000 2.224 149 D HA 0.028 4.672 4.640 0.008 0.000 0.205 149 D C 0.172 176.352 176.300 -0.199 0.000 0.965 149 D CA 0.375 54.263 54.000 -0.187 0.000 0.852 149 D CB -0.030 40.523 40.800 -0.412 0.000 0.947 149 D HN 0.634 nan 8.370 nan 0.000 0.494 150 W N 0.276 121.505 121.300 -0.118 0.000 2.160 150 W HA 0.155 4.820 4.660 0.008 0.000 0.352 150 W C 0.318 176.795 176.519 -0.069 0.000 1.288 150 W CA -0.207 57.081 57.345 -0.095 0.000 1.279 150 W CB 0.594 30.026 29.460 -0.046 0.000 1.181 150 W HN -0.371 nan 8.180 nan 0.000 0.593 151 V N 1.154 121.241 119.914 0.288 0.000 3.087 151 V HA 0.413 4.538 4.120 0.008 0.000 0.306 151 V C -0.495 175.632 176.094 0.054 0.000 1.187 151 V CA -1.014 61.356 62.300 0.117 0.000 0.999 151 V CB 2.417 34.278 31.823 0.062 0.000 1.049 151 V HN 0.420 nan 8.190 nan 0.000 0.431 152 T N 4.337 118.869 114.554 -0.036 0.000 2.809 152 T HA 0.645 4.999 4.350 0.008 0.000 0.284 152 T C -0.443 174.120 174.700 -0.228 0.000 0.992 152 T CA -0.174 61.855 62.100 -0.118 0.000 0.957 152 T CB 0.917 69.714 68.868 -0.119 0.000 0.942 152 T HN 0.409 nan 8.240 nan 0.000 0.439 153 I N 4.090 124.471 120.570 -0.315 0.000 2.315 153 I HA 0.407 4.581 4.170 0.008 0.000 0.291 153 I C 0.365 176.123 176.117 -0.599 0.000 1.006 153 I CA -0.820 60.172 61.300 -0.513 0.000 1.265 153 I CB 0.786 38.435 38.000 -0.584 0.000 1.387 153 I HN 0.276 nan 8.210 nan 0.000 0.475 154 K N 5.622 125.523 120.400 -0.830 0.000 2.295 154 K HA 0.677 5.001 4.320 0.008 0.000 0.239 154 K C -1.115 175.051 176.600 -0.723 0.000 0.991 154 K CA -0.766 55.139 56.287 -0.637 0.000 0.845 154 K CB 2.323 34.421 32.500 -0.670 0.000 1.197 154 K HN 0.218 nan 8.250 nan 0.000 0.441 155 F N 0.183 120.017 119.950 -0.194 0.000 2.579 155 F HA 0.577 5.109 4.527 0.008 0.000 0.324 155 F C 0.148 176.101 175.800 0.255 0.000 1.058 155 F CA -0.857 57.181 58.000 0.062 0.000 0.944 155 F CB 1.838 40.890 39.000 0.086 0.000 1.245 155 F HN 0.108 nan 8.300 nan 0.000 0.477 156 M N 1.269 121.242 119.600 0.622 0.000 2.484 156 M HA 0.313 4.798 4.480 0.008 0.000 0.289 156 M C -1.263 175.379 176.300 0.569 0.000 1.206 156 M CA -0.906 54.705 55.300 0.519 0.000 0.892 156 M CB 3.022 35.910 32.600 0.480 0.000 1.712 156 M HN 0.511 nan 8.290 nan 0.000 0.462 157 K N 1.742 122.405 120.400 0.439 0.000 2.264 157 K HA 0.354 4.679 4.320 0.008 0.000 0.277 157 K C 0.416 177.213 176.600 0.328 0.000 1.067 157 K CA -0.307 56.228 56.287 0.414 0.000 0.900 157 K CB 1.017 33.720 32.500 0.339 0.000 1.124 157 K HN 0.575 nan 8.250 nan 0.000 0.469 158 V N 2.157 122.271 119.914 0.333 0.000 2.370 158 V HA -0.233 3.892 4.120 0.008 0.000 0.252 158 V C 0.719 176.969 176.094 0.259 0.000 1.068 158 V CA 1.713 64.248 62.300 0.391 0.000 1.061 158 V CB -0.583 31.383 31.823 0.238 0.000 0.656 158 V HN 0.832 nan 8.190 nan 0.000 0.455 159 D N -0.175 120.296 120.400 0.117 0.000 2.393 159 D HA 0.443 5.088 4.640 0.008 0.000 0.232 159 D C 0.936 177.289 176.300 0.088 0.000 1.192 159 D CA 0.850 54.891 54.000 0.067 0.000 0.882 159 D CB 0.204 41.008 40.800 0.008 0.000 1.038 159 D HN 0.364 nan 8.370 nan 0.000 0.499 160 G N 3.128 111.986 108.800 0.098 0.000 2.176 160 G HA2 -0.109 3.855 3.960 0.008 0.000 0.232 160 G HA3 -0.109 3.855 3.960 0.008 0.000 0.232 160 G C 0.767 175.722 174.900 0.091 0.000 0.986 160 G CA 0.176 45.323 45.100 0.078 0.000 0.643 160 G HN 1.524 nan 8.290 nan 0.000 0.522 161 A N -1.101 121.810 122.820 0.152 0.000 2.511 161 A HA -0.109 4.216 4.320 0.008 0.000 0.297 161 A C 0.836 178.451 177.584 0.051 0.000 1.476 161 A CA 2.093 54.178 52.037 0.081 0.000 0.757 161 A CB -0.993 17.975 19.000 -0.053 0.000 1.072 161 A HN 0.831 nan 8.150 nan 0.000 0.413 162 K N 0.808 121.276 120.400 0.114 0.000 2.297 162 K HA 0.240 4.565 4.320 0.008 0.000 0.286 162 K C 0.526 177.211 176.600 0.142 0.000 1.053 162 K CA -0.010 56.344 56.287 0.111 0.000 0.940 162 K CB 0.936 33.511 32.500 0.125 0.000 1.019 162 K HN 0.847 nan 8.250 nan 0.000 0.475 163 E N 4.623 124.890 120.200 0.111 0.000 2.229 163 E HA 0.162 4.516 4.350 0.008 0.000 0.283 163 E C -0.688 175.990 176.600 0.130 0.000 1.030 163 E CA -0.436 56.046 56.400 0.136 0.000 0.836 163 E CB 0.532 30.293 29.700 0.101 0.000 1.068 163 E HN 0.360 nan 8.360 nan 0.000 0.401 164 L N 5.710 127.030 121.223 0.162 0.000 2.399 164 L HA 0.317 4.661 4.340 0.008 0.000 0.265 164 L C -1.206 175.707 176.870 0.071 0.000 1.089 164 L CA -1.929 52.978 54.840 0.111 0.000 0.802 164 L CB 0.855 42.980 42.059 0.110 0.000 1.180 164 L HN 0.640 nan 8.230 nan 0.000 0.454 165 P HA -0.076 nan 4.420 nan 0.000 0.221 165 P C -0.219 177.076 177.300 -0.008 0.000 1.150 165 P CA 0.531 63.634 63.100 0.005 0.000 0.800 165 P CB -0.094 31.601 31.700 -0.008 0.000 0.787 166 D N -0.040 120.343 120.400 -0.029 0.000 2.571 166 D HA 0.170 4.814 4.640 0.008 0.000 0.231 166 D C -0.170 176.136 176.300 0.009 0.000 1.133 166 D CA 0.922 54.883 54.000 -0.065 0.000 0.862 166 D CB 0.364 40.970 40.800 -0.324 0.000 1.179 166 D HN -0.116 nan 8.370 nan 0.000 0.474 167 V N 2.769 122.625 119.914 -0.096 0.000 2.852 167 V HA 0.294 4.419 4.120 0.008 0.000 0.300 167 V C -0.792 175.162 176.094 -0.234 0.000 1.205 167 V CA -0.809 61.409 62.300 -0.136 0.000 0.940 167 V CB 1.661 33.419 31.823 -0.109 0.000 1.047 167 V HN 0.349 nan 8.190 nan 0.000 0.429 168 L N 4.055 125.101 121.223 -0.294 0.000 2.356 168 L HA 0.701 5.045 4.340 0.008 0.000 0.277 168 L C -0.116 176.631 176.870 -0.205 0.000 0.996 168 L CA -0.444 54.194 54.840 -0.336 0.000 0.822 168 L CB 1.979 43.664 42.059 -0.623 0.000 1.256 168 L HN 0.554 nan 8.230 nan 0.000 0.413 169 E N 2.048 122.170 120.200 -0.130 0.000 2.281 169 E HA 0.474 4.829 4.350 0.008 0.000 0.257 169 E C -0.240 176.352 176.600 -0.013 0.000 0.971 169 E CA -0.931 55.417 56.400 -0.087 0.000 0.839 169 E CB 1.550 31.181 29.700 -0.114 0.000 1.238 169 E HN 0.379 nan 8.360 nan 0.000 0.412 170 R N -0.914 119.556 120.500 -0.051 0.000 3.641 170 R HA -0.142 4.203 4.340 0.008 0.000 0.286 170 R C -0.631 175.915 176.300 0.410 0.000 1.153 170 R CA 0.125 56.238 56.100 0.023 0.000 0.775 170 R CB -1.856 28.465 30.300 0.036 0.000 1.215 170 R HN 0.134 nan 8.270 nan 0.000 0.474 171 V N 0.560 120.711 119.914 0.396 0.000 2.481 171 V HA 0.515 4.639 4.120 0.008 0.000 0.286 171 V C 0.344 176.709 176.094 0.452 0.000 1.042 171 V CA -0.267 62.286 62.300 0.422 0.000 0.928 171 V CB 1.887 33.859 31.823 0.249 0.000 0.986 171 V HN 0.191 nan 8.190 nan 0.000 0.462 172 K N 3.419 124.028 120.400 0.348 0.000 2.569 172 K HA 0.432 4.757 4.320 0.008 0.000 0.259 172 K C -0.785 175.894 176.600 0.133 0.000 0.932 172 K CA -0.758 55.528 56.287 -0.001 0.000 0.833 172 K CB 1.104 33.366 32.500 -0.396 0.000 1.340 172 K HN 0.465 nan 8.250 nan 0.000 0.429 173 F N 0.446 120.481 119.950 0.141 0.000 3.027 173 F HA -0.277 4.255 4.527 0.008 0.000 0.276 173 F C 0.260 176.137 175.800 0.128 0.000 0.967 173 F CA 0.699 58.774 58.000 0.124 0.000 0.929 173 F CB -1.235 37.850 39.000 0.141 0.000 0.873 173 F HN 0.406 nan 8.300 nan 0.000 0.787 174 S N 0.047 115.896 115.700 0.248 0.000 2.651 174 S HA 0.745 5.220 4.470 0.008 0.000 0.291 174 S C 0.234 174.935 174.600 0.168 0.000 1.141 174 S CA -0.179 58.146 58.200 0.209 0.000 1.027 174 S CB 1.292 64.632 63.200 0.233 0.000 1.043 174 S HN 0.516 nan 8.310 nan 0.000 0.530 175 C N 2.379 121.779 119.300 0.166 0.000 2.349 175 C HA 0.823 5.287 4.460 0.008 0.000 0.361 175 C C -0.169 174.922 174.990 0.168 0.000 1.189 175 C CA -0.974 58.133 59.018 0.149 0.000 2.155 175 C CB -0.193 27.634 27.740 0.145 0.000 2.336 175 C HN 0.856 nan 8.230 nan 0.000 0.540 176 M N 2.247 121.935 119.600 0.147 0.000 2.037 176 M HA 0.472 4.956 4.480 0.008 0.000 0.255 176 M C -0.400 176.019 176.300 0.199 0.000 0.914 176 M CA 0.127 55.498 55.300 0.120 0.000 0.986 176 M CB 1.412 34.031 32.600 0.033 0.000 1.947 176 M HN 0.974 nan 8.290 nan 0.000 0.419 177 A N 2.452 125.442 122.820 0.284 0.000 2.293 177 A HA 0.673 4.998 4.320 0.008 0.000 0.312 177 A C -1.630 176.268 177.584 0.522 0.000 1.309 177 A CA -0.370 51.919 52.037 0.420 0.000 0.839 177 A CB 0.430 19.669 19.000 0.398 0.000 1.155 177 A HN 0.827 nan 8.150 nan 0.000 0.501 178 W N 2.112 123.648 121.300 0.393 0.000 2.261 178 W HA 0.427 5.092 4.660 0.008 0.000 0.323 178 W C 1.025 177.829 176.519 0.474 0.000 1.243 178 W CA 0.386 57.952 57.345 0.367 0.000 1.210 178 W CB 1.276 30.911 29.460 0.292 0.000 1.149 178 W HN 0.731 nan 8.180 nan 0.000 0.562 179 T N -1.309 113.673 114.554 0.713 0.000 2.904 179 T HA 0.142 4.496 4.350 0.008 0.000 0.290 179 T C 0.779 175.859 174.700 0.633 0.000 1.018 179 T CA -0.434 62.064 62.100 0.664 0.000 1.075 179 T CB 0.820 70.016 68.868 0.547 0.000 0.986 179 T HN 0.563 nan 8.240 nan 0.000 0.523 180 H N 0.472 119.737 119.070 0.324 0.000 2.524 180 H HA -0.056 4.505 4.556 0.008 0.000 0.282 180 H C 1.400 176.857 175.328 0.215 0.000 1.016 180 H CA 0.938 57.137 56.048 0.251 0.000 1.270 180 H CB 0.209 30.091 29.762 0.200 0.000 1.394 180 H HN 0.767 nan 8.280 nan 0.000 0.568 181 D N 0.099 120.702 120.400 0.338 0.000 2.378 181 D HA -0.024 4.620 4.640 0.008 0.000 0.227 181 D C 1.637 178.089 176.300 0.255 0.000 1.012 181 D CA 0.660 54.806 54.000 0.244 0.000 0.905 181 D CB -0.608 40.313 40.800 0.201 0.000 0.895 181 D HN 0.319 nan 8.370 nan 0.000 0.532 182 G N 1.543 110.539 108.800 0.327 0.000 2.321 182 G HA2 -0.428 3.537 3.960 0.008 0.000 0.287 182 G HA3 -0.428 3.537 3.960 0.008 0.000 0.287 182 G C 0.839 175.963 174.900 0.374 0.000 1.018 182 G CA 0.993 46.312 45.100 0.364 0.000 0.855 182 G HN 0.644 nan 8.290 nan 0.000 0.507 183 K N -0.589 120.005 120.400 0.324 0.000 2.334 183 K HA 0.466 4.790 4.320 0.008 0.000 0.195 183 K C 1.129 177.790 176.600 0.102 0.000 1.045 183 K CA 1.052 57.462 56.287 0.204 0.000 1.004 183 K CB 0.367 32.971 32.500 0.174 0.000 0.837 183 K HN 0.917 nan 8.250 nan 0.000 0.510 184 G N 0.517 109.377 108.800 0.100 0.000 2.608 184 G HA2 0.438 4.403 3.960 0.008 0.000 0.291 184 G HA3 0.438 4.403 3.960 0.008 0.000 0.291 184 G C -2.072 172.509 174.900 -0.532 0.000 1.425 184 G CA -0.851 43.978 45.100 -0.451 0.000 0.787 184 G HN 0.101 nan 8.290 nan 0.000 0.484 185 M N 0.003 119.080 119.600 -0.873 0.000 2.518 185 M HA 0.724 5.209 4.480 0.008 0.000 0.300 185 M C -1.559 174.532 176.300 -0.349 0.000 1.175 185 M CA -0.802 54.130 55.300 -0.613 0.000 0.890 185 M CB 2.155 34.174 32.600 -0.968 0.000 1.710 185 M HN 0.387 nan 8.290 nan 0.000 0.453 186 F N 3.377 123.381 119.950 0.090 0.000 2.385 186 F HA 0.574 5.106 4.527 0.008 0.000 0.336 186 F C -0.432 175.521 175.800 0.257 0.000 1.100 186 F CA 0.114 58.262 58.000 0.247 0.000 1.116 186 F CB 0.966 40.127 39.000 0.269 0.000 1.166 186 F HN 0.532 nan 8.300 nan 0.000 0.511 187 Y N -0.201 120.268 120.300 0.283 0.000 2.662 187 Y HA 0.523 5.078 4.550 0.008 0.000 0.334 187 Y C -2.098 173.939 175.900 0.229 0.000 1.185 187 Y CA -1.724 56.483 58.100 0.179 0.000 1.074 187 Y CB 0.803 39.301 38.460 0.062 0.000 1.330 187 Y HN 0.546 nan 8.280 nan 0.000 0.458 188 N N 1.262 119.983 118.700 0.034 0.000 2.405 188 N HA 0.838 5.583 4.740 0.008 0.000 0.299 188 N C -1.206 174.370 175.510 0.110 0.000 1.075 188 N CA -0.470 52.563 53.050 -0.028 0.000 0.884 188 N CB 2.187 40.694 38.487 0.032 0.000 1.194 188 N HN 0.957 nan 8.380 nan 0.000 0.491 189 A N 0.877 123.776 122.820 0.133 0.000 2.532 189 A HA 0.715 5.040 4.320 0.008 0.000 0.290 189 A C -1.752 175.940 177.584 0.179 0.000 1.143 189 A CA -0.491 51.714 52.037 0.280 0.000 0.728 189 A CB 0.818 19.983 19.000 0.275 0.000 1.317 189 A HN 0.623 nan 8.150 nan 0.000 0.414 190 Y N 0.018 120.535 120.300 0.362 0.000 2.567 190 Y HA 0.557 5.111 4.550 0.008 0.000 0.333 190 Y C -1.991 174.076 175.900 0.278 0.000 1.106 190 Y CA -1.885 56.425 58.100 0.348 0.000 1.157 190 Y CB 1.616 40.343 38.460 0.445 0.000 1.277 190 Y HN 0.472 nan 8.280 nan 0.000 0.490 191 P HA 0.033 nan 4.420 nan 0.000 0.272 191 P C -1.363 176.061 177.300 0.207 0.000 1.230 191 P CA -0.589 62.667 63.100 0.259 0.000 0.788 191 P CB 0.517 32.344 31.700 0.211 0.000 0.949 192 Q N 1.434 121.304 119.800 0.117 0.000 2.325 192 Q HA 0.043 4.388 4.340 0.008 0.000 0.256 192 Q C -0.051 175.988 176.000 0.065 0.000 1.142 192 Q CA -0.004 55.837 55.803 0.062 0.000 0.902 192 Q CB -0.123 28.631 28.738 0.026 0.000 1.350 192 Q HN 0.280 nan 8.270 nan 0.000 0.449 193 Q N 2.564 122.409 119.800 0.075 0.000 2.222 193 Q HA 0.284 4.629 4.340 0.008 0.000 0.252 193 Q C -0.981 175.041 176.000 0.038 0.000 0.926 193 Q CA -0.907 54.941 55.803 0.075 0.000 0.899 193 Q CB 1.182 29.992 28.738 0.119 0.000 1.250 193 Q HN 0.398 nan 8.270 nan 0.000 0.441 194 D N 1.612 122.032 120.400 0.034 0.000 2.383 194 D HA 0.501 5.145 4.640 0.008 0.000 0.252 194 D C 0.490 176.802 176.300 0.020 0.000 1.166 194 D CA 1.338 55.349 54.000 0.019 0.000 0.879 194 D CB 0.909 41.719 40.800 0.017 0.000 1.164 194 D HN 0.904 nan 8.370 nan 0.000 0.462 195 G N 1.536 110.340 108.800 0.007 0.000 2.331 195 G HA2 -0.104 3.861 3.960 0.008 0.000 0.479 195 G HA3 -0.104 3.861 3.960 0.008 0.000 0.479 195 G C -0.792 174.105 174.900 -0.005 0.000 1.262 195 G CA -1.033 44.071 45.100 0.008 0.000 1.029 195 G HN 0.419 nan 8.290 nan 0.000 0.487 196 K N -0.477 119.924 120.400 0.002 0.000 2.138 196 K HA 0.617 4.942 4.320 0.008 0.000 0.251 196 K C -0.112 176.483 176.600 -0.008 0.000 1.015 196 K CA 0.116 56.397 56.287 -0.010 0.000 0.917 196 K CB 1.086 33.589 32.500 0.005 0.000 1.021 196 K HN 0.386 nan 8.250 nan 0.000 0.485 197 S N 1.275 116.929 115.700 -0.078 0.000 2.686 197 S HA 0.039 4.514 4.470 0.008 0.000 0.223 197 S C -0.834 173.598 174.600 -0.280 0.000 0.885 197 S CA -0.527 57.552 58.200 -0.202 0.000 1.115 197 S CB -0.013 62.853 63.200 -0.557 0.000 1.459 197 S HN 0.718 nan 8.310 nan 0.000 0.444 198 D N -0.117 120.307 120.400 0.040 0.000 2.469 198 D HA 0.340 4.985 4.640 0.008 0.000 0.213 198 D C 1.275 177.785 176.300 0.351 0.000 1.135 198 D CA 0.490 54.581 54.000 0.150 0.000 0.834 198 D CB 0.073 40.959 40.800 0.142 0.000 1.009 198 D HN 0.450 nan 8.370 nan 0.000 0.507 199 G N 0.260 109.279 108.800 0.365 0.000 2.163 199 G HA2 -0.292 3.672 3.960 0.008 0.000 0.213 199 G HA3 -0.292 3.672 3.960 0.008 0.000 0.213 199 G C 1.028 175.952 174.900 0.039 0.000 0.991 199 G CA 0.592 45.850 45.100 0.264 0.000 0.653 199 G HN 0.567 nan 8.290 nan 0.000 0.518 200 T N -1.403 113.128 114.554 -0.039 0.000 3.001 200 T HA 0.381 4.736 4.350 0.008 0.000 0.251 200 T C 0.911 175.581 174.700 -0.050 0.000 1.040 200 T CA 0.869 62.881 62.100 -0.146 0.000 0.985 200 T CB 0.392 69.125 68.868 -0.226 0.000 1.011 200 T HN 0.759 nan 8.240 nan 0.000 0.509 201 E N 2.518 122.732 120.200 0.022 0.000 2.374 201 E HA 0.134 4.489 4.350 0.008 0.000 0.260 201 E C 0.270 176.884 176.600 0.025 0.000 1.101 201 E CA 0.094 56.516 56.400 0.036 0.000 0.907 201 E CB 1.211 30.967 29.700 0.093 0.000 1.014 201 E HN 0.312 nan 8.360 nan 0.000 0.427 202 T N -1.750 112.811 114.554 0.011 0.000 3.044 202 T HA 0.153 4.508 4.350 0.008 0.000 0.260 202 T C 0.255 175.026 174.700 0.118 0.000 1.019 202 T CA -0.394 61.712 62.100 0.009 0.000 0.921 202 T CB -0.112 68.653 68.868 -0.172 0.000 1.053 202 T HN 0.313 nan 8.240 nan 0.000 0.533 203 S N 2.394 118.155 115.700 0.102 0.000 2.550 203 S HA 0.187 4.662 4.470 0.008 0.000 0.285 203 S C 0.533 175.192 174.600 0.098 0.000 1.326 203 S CA -0.196 58.069 58.200 0.109 0.000 1.037 203 S CB 0.576 63.840 63.200 0.107 0.000 0.838 203 S HN 0.496 nan 8.310 nan 0.000 0.519 204 T N 1.538 116.144 114.554 0.086 0.000 2.899 204 T HA 0.186 4.540 4.350 0.008 0.000 0.295 204 T C -0.090 174.648 174.700 0.063 0.000 1.033 204 T CA -0.435 61.708 62.100 0.073 0.000 1.084 204 T CB -0.173 68.724 68.868 0.047 0.000 0.979 204 T HN 0.611 nan 8.240 nan 0.000 0.532 205 N N 3.552 122.294 118.700 0.070 0.000 2.621 205 N HA 0.513 5.258 4.740 0.008 0.000 0.237 205 N C -1.078 174.568 175.510 0.227 0.000 0.997 205 N CA -0.359 52.680 53.050 -0.018 0.000 0.918 205 N CB 0.805 39.123 38.487 -0.282 0.000 1.122 205 N HN 0.376 nan 8.380 nan 0.000 0.510 206 L N 0.612 122.005 121.223 0.283 0.000 2.327 206 L HA 0.514 4.858 4.340 0.008 0.000 0.258 206 L C 0.122 177.238 176.870 0.411 0.000 1.024 206 L CA -0.968 54.014 54.840 0.237 0.000 0.825 206 L CB 1.381 43.467 42.059 0.046 0.000 1.386 206 L HN 0.576 nan 8.230 nan 0.000 0.417 207 H N 0.009 119.198 119.070 0.199 0.000 2.880 207 H HA -0.155 4.405 4.556 0.008 0.000 0.304 207 H C -0.022 175.347 175.328 0.068 0.000 1.259 207 H CA 0.448 56.578 56.048 0.137 0.000 1.153 207 H CB -0.641 29.194 29.762 0.121 0.000 1.395 207 H HN 0.628 nan 8.280 nan 0.000 0.420 208 Q N 1.221 121.030 119.800 0.014 0.000 2.332 208 Q HA 0.279 4.624 4.340 0.008 0.000 0.263 208 Q C -0.196 175.720 176.000 -0.140 0.000 0.979 208 Q CA 0.274 55.855 55.803 -0.370 0.000 0.885 208 Q CB 0.778 29.237 28.738 -0.466 0.000 1.218 208 Q HN 0.335 nan 8.270 nan 0.000 0.405 209 K N 2.492 122.780 120.400 -0.186 0.000 2.352 209 K HA 0.514 4.839 4.320 0.008 0.000 0.240 209 K C -1.356 175.041 176.600 -0.339 0.000 1.017 209 K CA -0.935 55.175 56.287 -0.294 0.000 0.851 209 K CB 1.344 33.554 32.500 -0.483 0.000 1.261 209 K HN 0.440 nan 8.250 nan 0.000 0.451 210 L N 1.963 122.948 121.223 -0.396 0.000 2.298 210 L HA 0.436 4.781 4.340 0.008 0.000 0.284 210 L C -1.690 174.991 176.870 -0.316 0.000 1.013 210 L CA -0.048 54.659 54.840 -0.221 0.000 0.824 210 L CB 0.333 42.377 42.059 -0.026 0.000 1.221 210 L HN 0.497 nan 8.230 nan 0.000 0.418 211 Y N 3.673 123.851 120.300 -0.203 0.000 2.631 211 Y HA 0.518 5.073 4.550 0.008 0.000 0.328 211 Y C -1.151 174.784 175.900 0.058 0.000 1.118 211 Y CA -0.345 57.685 58.100 -0.116 0.000 1.206 211 Y CB 1.460 39.764 38.460 -0.261 0.000 1.337 211 Y HN 0.508 nan 8.280 nan 0.000 0.515 212 Y N 0.636 121.052 120.300 0.194 0.000 2.346 212 Y HA 0.363 4.918 4.550 0.008 0.000 0.332 212 Y C -1.284 174.707 175.900 0.151 0.000 0.985 212 Y CA -1.115 57.003 58.100 0.029 0.000 1.112 212 Y CB 0.730 39.081 38.460 -0.181 0.000 1.170 212 Y HN 0.686 nan 8.280 nan 0.000 0.447 213 H N 5.089 123.951 119.070 -0.347 0.000 2.597 213 H HA 0.562 5.122 4.556 0.008 0.000 0.303 213 H C -1.321 173.650 175.328 -0.594 0.000 1.057 213 H CA -0.504 55.348 56.048 -0.327 0.000 1.261 213 H CB 0.766 30.362 29.762 -0.276 0.000 1.397 213 H HN 0.514 nan 8.280 nan 0.000 0.461 214 V N 6.794 126.238 119.914 -0.784 0.000 2.508 214 V HA -0.009 4.116 4.120 0.008 0.000 0.281 214 V C 0.336 175.898 176.094 -0.887 0.000 1.041 214 V CA -0.594 61.347 62.300 -0.597 0.000 1.016 214 V CB 0.593 32.255 31.823 -0.269 0.000 0.984 214 V HN 0.651 nan 8.190 nan 0.000 0.478 215 L N 5.192 126.069 121.223 -0.577 0.000 2.462 215 L HA 0.531 4.876 4.340 0.008 0.000 0.272 215 L C 1.123 177.767 176.870 -0.376 0.000 1.166 215 L CA 1.842 56.375 54.840 -0.512 0.000 0.880 215 L CB 0.365 42.224 42.059 -0.334 0.000 1.142 215 L HN 0.972 nan 8.230 nan 0.000 0.473 216 G N 1.566 110.172 108.800 -0.322 0.000 2.159 216 G HA2 -0.217 3.748 3.960 0.008 0.000 0.227 216 G HA3 -0.217 3.748 3.960 0.008 0.000 0.227 216 G C 0.206 175.006 174.900 -0.166 0.000 0.986 216 G CA 0.233 45.215 45.100 -0.196 0.000 0.651 216 G HN 1.004 nan 8.290 nan 0.000 0.523 217 T N -2.559 111.859 114.554 -0.227 0.000 2.910 217 T HA 0.687 5.042 4.350 0.008 0.000 0.287 217 T C -0.928 173.759 174.700 -0.021 0.000 1.050 217 T CA -0.511 61.501 62.100 -0.146 0.000 1.011 217 T CB 2.867 71.614 68.868 -0.202 0.000 1.195 217 T HN -0.049 nan 8.240 nan 0.000 0.540 218 D N 0.380 120.777 120.400 -0.005 0.000 2.225 218 D HA 0.163 4.808 4.640 0.008 0.000 0.249 218 D C 0.993 177.328 176.300 0.059 0.000 1.052 218 D CA -0.262 53.754 54.000 0.027 0.000 0.909 218 D CB 1.933 42.730 40.800 -0.005 0.000 1.186 218 D HN 0.792 nan 8.370 nan 0.000 0.431 219 Q N 1.042 120.865 119.800 0.040 0.000 2.297 219 Q HA -0.165 4.180 4.340 0.008 0.000 0.208 219 Q C 1.397 177.399 176.000 0.002 0.000 0.981 219 Q CA 1.415 57.234 55.803 0.027 0.000 0.876 219 Q CB 0.174 28.872 28.738 -0.067 0.000 0.921 219 Q HN 0.459 nan 8.270 nan 0.000 0.446 220 S N 0.154 115.850 115.700 -0.006 0.000 2.442 220 S HA -0.150 4.324 4.470 0.008 0.000 0.236 220 S C 1.209 175.816 174.600 0.012 0.000 1.007 220 S CA 1.277 59.472 58.200 -0.008 0.000 0.965 220 S CB -0.131 63.064 63.200 -0.008 0.000 0.773 220 S HN 0.511 nan 8.310 nan 0.000 0.504 221 E N 0.974 121.187 120.200 0.022 0.000 2.447 221 E HA 0.104 4.459 4.350 0.008 0.000 0.195 221 E C -0.555 176.085 176.600 0.067 0.000 1.028 221 E CA -0.191 56.227 56.400 0.031 0.000 0.876 221 E CB -0.120 29.582 29.700 0.003 0.000 0.885 221 E HN 0.427 nan 8.360 nan 0.000 0.500 222 D N 1.405 121.865 120.400 0.100 0.000 2.601 222 D HA -0.067 4.577 4.640 0.008 0.000 0.229 222 D C 0.053 176.495 176.300 0.237 0.000 1.140 222 D CA 0.702 54.815 54.000 0.188 0.000 0.862 222 D CB 0.624 41.567 40.800 0.238 0.000 1.192 222 D HN -0.032 nan 8.370 nan 0.000 0.480 223 I N 2.247 122.984 120.570 0.279 0.000 2.396 223 I HA 0.089 4.264 4.170 0.008 0.000 0.292 223 I C 0.293 176.575 176.117 0.276 0.000 0.999 223 I CA -0.834 60.607 61.300 0.235 0.000 1.310 223 I CB 0.843 38.940 38.000 0.162 0.000 1.404 223 I HN 0.201 nan 8.210 nan 0.000 0.496 224 L N 7.144 128.477 121.223 0.184 0.000 2.283 224 L HA 0.243 4.588 4.340 0.008 0.000 0.287 224 L C 0.354 177.226 176.870 0.003 0.000 1.073 224 L CA 0.356 55.194 54.840 -0.004 0.000 0.822 224 L CB 0.613 42.652 42.059 -0.034 0.000 1.186 224 L HN 0.717 nan 8.230 nan 0.000 0.436 225 C N 4.000 123.316 119.300 0.027 0.000 2.926 225 C HA 0.782 5.247 4.460 0.008 0.000 0.272 225 C C 0.762 175.927 174.990 0.291 0.000 1.249 225 C CA 0.108 59.229 59.018 0.172 0.000 1.691 225 C CB -1.410 26.524 27.740 0.323 0.000 1.983 225 C HN 0.928 nan 8.230 nan 0.000 0.615 226 A N 1.260 124.101 122.820 0.034 0.000 2.580 226 A HA 0.619 4.944 4.320 0.008 0.000 0.301 226 A C -1.255 176.041 177.584 -0.480 0.000 1.054 226 A CA -0.451 51.510 52.037 -0.126 0.000 0.751 226 A CB 0.753 19.672 19.000 -0.135 0.000 1.275 226 A HN 0.469 nan 8.150 nan 0.000 0.403 227 E N 0.456 120.226 120.200 -0.717 0.000 2.380 227 E HA 0.663 5.017 4.350 0.008 0.000 0.281 227 E C -1.817 174.294 176.600 -0.815 0.000 0.999 227 E CA -0.874 55.102 56.400 -0.707 0.000 0.800 227 E CB 1.264 30.792 29.700 -0.288 0.000 1.228 227 E HN 0.554 nan 8.360 nan 0.000 0.436 228 F N 1.304 121.259 119.950 0.010 0.000 2.523 228 F HA 0.342 4.874 4.527 0.008 0.000 0.322 228 F C -1.792 173.946 175.800 -0.102 0.000 1.361 228 F CA -1.987 55.982 58.000 -0.052 0.000 1.151 228 F CB 1.226 40.186 39.000 -0.065 0.000 1.391 228 F HN 0.339 nan 8.300 nan 0.000 0.566 229 P HA -0.186 nan 4.420 nan 0.000 0.222 229 P C 0.749 178.097 177.300 0.079 0.000 1.142 229 P CA 1.404 64.599 63.100 0.157 0.000 0.788 229 P CB 0.479 32.234 31.700 0.091 0.000 0.767 230 D N -0.595 119.781 120.400 -0.039 0.000 2.240 230 D HA -0.023 4.622 4.640 0.008 0.000 0.206 230 D C 0.568 176.711 176.300 -0.261 0.000 0.963 230 D CA 0.829 54.759 54.000 -0.117 0.000 0.863 230 D CB 0.120 40.843 40.800 -0.128 0.000 0.973 230 D HN 0.106 nan 8.370 nan 0.000 0.501 231 E N 0.510 120.453 120.200 -0.427 0.000 2.546 231 E HA 0.168 4.523 4.350 0.008 0.000 0.227 231 E C -1.951 174.368 176.600 -0.469 0.000 1.009 231 E CA -1.622 54.368 56.400 -0.683 0.000 0.813 231 E CB 1.629 30.253 29.700 -1.794 0.000 1.269 231 E HN 0.098 nan 8.360 nan 0.000 0.432 232 P HA -0.182 nan 4.420 nan 0.000 0.217 232 P C 0.910 178.029 177.300 -0.302 0.000 1.151 232 P CA 1.397 64.141 63.100 -0.593 0.000 0.849 232 P CB 0.317 31.727 31.700 -0.482 0.000 0.787 233 K N -3.030 117.262 120.400 -0.180 0.000 2.426 233 K HA -0.018 4.307 4.320 0.008 0.000 0.193 233 K C 0.207 176.928 176.600 0.201 0.000 1.028 233 K CA 0.001 56.265 56.287 -0.038 0.000 1.047 233 K CB -0.058 32.414 32.500 -0.046 0.000 0.821 233 K HN 0.166 nan 8.250 nan 0.000 0.513 234 W N 1.589 122.822 121.300 -0.111 0.000 2.190 234 W HA 0.198 4.863 4.660 0.007 0.000 0.330 234 W C 0.177 176.639 176.519 -0.095 0.000 1.299 234 W CA -0.327 56.910 57.345 -0.180 0.000 1.215 234 W CB 0.105 29.319 29.460 -0.411 0.000 1.147 234 W HN -0.095 nan 8.180 nan 0.000 0.563 235 M N 3.185 122.808 119.600 0.039 0.000 2.067 235 M HA 0.336 4.820 4.480 0.008 0.000 0.286 235 M C 0.383 176.658 176.300 -0.041 0.000 0.922 235 M CA -0.352 54.977 55.300 0.049 0.000 0.937 235 M CB 1.604 34.230 32.600 0.043 0.000 1.550 235 M HN 0.495 nan 8.290 nan 0.000 0.433 236 G N 1.861 110.701 108.800 0.066 0.000 2.327 236 G HA2 0.607 4.571 3.960 0.008 0.000 0.302 236 G HA3 0.607 4.571 3.960 0.008 0.000 0.302 236 G C -0.092 174.793 174.900 -0.025 0.000 1.113 236 G CA -0.409 44.671 45.100 -0.032 0.000 0.921 236 G HN 0.781 nan 8.290 nan 0.000 0.425 237 G N 0.230 108.998 108.800 -0.054 0.000 2.389 237 G HA2 0.784 4.749 3.960 0.008 0.000 0.328 237 G HA3 0.784 4.749 3.960 0.008 0.000 0.328 237 G C -0.443 174.444 174.900 -0.021 0.000 1.133 237 G CA -0.033 45.067 45.100 -0.000 0.000 0.891 237 G HN 1.079 nan 8.290 nan 0.000 0.485 238 A N 1.171 123.996 122.820 0.008 0.000 2.454 238 A HA 0.924 5.248 4.320 0.008 0.000 0.302 238 A C -0.421 177.161 177.584 -0.002 0.000 1.079 238 A CA -0.716 51.297 52.037 -0.041 0.000 0.731 238 A CB 1.777 20.676 19.000 -0.168 0.000 1.299 238 A HN 0.956 nan 8.150 nan 0.000 0.413 239 E N 1.136 121.331 120.200 -0.009 0.000 2.433 239 E HA 0.638 4.993 4.350 0.008 0.000 0.278 239 E C -1.748 174.875 176.600 0.039 0.000 0.976 239 E CA -0.922 55.517 56.400 0.066 0.000 0.793 239 E CB 1.211 30.980 29.700 0.115 0.000 1.311 239 E HN 0.379 nan 8.360 nan 0.000 0.460 240 L N 2.126 123.430 121.223 0.134 0.000 2.325 240 L HA 0.356 4.701 4.340 0.008 0.000 0.278 240 L C 0.375 177.294 176.870 0.082 0.000 1.023 240 L CA -0.734 54.188 54.840 0.135 0.000 0.811 240 L CB 1.562 43.771 42.059 0.250 0.000 1.249 240 L HN 0.814 nan 8.230 nan 0.000 0.431 241 S N 0.729 116.455 115.700 0.044 0.000 2.576 241 S HA 0.035 4.509 4.470 0.008 0.000 0.272 241 S C 0.780 175.484 174.600 0.173 0.000 1.352 241 S CA -0.735 57.482 58.200 0.029 0.000 1.021 241 S CB 0.976 64.336 63.200 0.267 0.000 0.887 241 S HN 0.538 nan 8.310 nan 0.000 0.542 242 D N 2.046 122.629 120.400 0.304 0.000 2.154 242 D HA -0.192 4.453 4.640 0.008 0.000 0.190 242 D C 1.422 177.850 176.300 0.214 0.000 1.003 242 D CA 2.067 56.231 54.000 0.274 0.000 0.849 242 D CB -0.667 40.249 40.800 0.193 0.000 0.942 242 D HN 0.913 nan 8.370 nan 0.000 0.446 243 D N -0.751 119.717 120.400 0.113 0.000 2.392 243 D HA 0.048 4.693 4.640 0.008 0.000 0.228 243 D C 1.475 177.734 176.300 -0.068 0.000 1.003 243 D CA 1.008 55.052 54.000 0.074 0.000 0.917 243 D CB -0.645 40.198 40.800 0.072 0.000 0.890 243 D HN 0.286 nan 8.370 nan 0.000 0.532 244 G N 1.157 109.774 108.800 -0.306 0.000 2.187 244 G HA2 -0.454 3.511 3.960 0.008 0.000 0.261 244 G HA3 -0.454 3.511 3.960 0.008 0.000 0.261 244 G C 1.041 175.816 174.900 -0.207 0.000 1.000 244 G CA 0.663 45.326 45.100 -0.727 0.000 0.718 244 G HN 0.631 nan 8.290 nan 0.000 0.519 245 R N -1.240 119.231 120.500 -0.048 0.000 2.290 245 R HA 0.373 4.717 4.340 0.008 0.000 0.197 245 R C 0.041 176.240 176.300 -0.168 0.000 0.913 245 R CA 0.092 56.129 56.100 -0.104 0.000 1.040 245 R CB 0.210 30.421 30.300 -0.149 0.000 0.992 245 R HN 0.384 nan 8.270 nan 0.000 0.500 246 Y N -0.076 120.300 120.300 0.126 0.000 2.409 246 Y HA 0.400 4.955 4.550 0.008 0.000 0.343 246 Y C -0.681 175.291 175.900 0.119 0.000 0.973 246 Y CA -1.163 57.044 58.100 0.178 0.000 1.064 246 Y CB 2.524 41.169 38.460 0.308 0.000 1.207 246 Y HN -0.316 nan 8.280 nan 0.000 0.452 247 V N 5.545 125.631 119.914 0.286 0.000 2.333 247 V HA 0.273 4.398 4.120 0.008 0.000 0.274 247 V C -0.203 176.045 176.094 0.257 0.000 1.028 247 V CA -0.704 61.688 62.300 0.154 0.000 0.851 247 V CB 0.499 32.338 31.823 0.026 0.000 1.000 247 V HN 0.573 nan 8.190 nan 0.000 0.456 248 L N 5.841 127.149 121.223 0.141 0.000 2.265 248 L HA 0.478 4.822 4.340 0.008 0.000 0.288 248 L C -0.366 176.559 176.870 0.092 0.000 1.058 248 L CA -0.393 54.530 54.840 0.138 0.000 0.809 248 L CB 1.301 43.383 42.059 0.039 0.000 1.179 248 L HN 0.488 nan 8.230 nan 0.000 0.429 249 L N 3.287 124.553 121.223 0.072 0.000 2.294 249 L HA 0.372 4.717 4.340 0.008 0.000 0.283 249 L C -0.135 176.607 176.870 -0.214 0.000 1.015 249 L CA 0.320 55.079 54.840 -0.136 0.000 0.831 249 L CB 1.465 43.253 42.059 -0.451 0.000 1.217 249 L HN 0.461 nan 8.230 nan 0.000 0.420 250 S N 6.187 121.792 115.700 -0.157 0.000 2.430 250 S HA 0.546 5.021 4.470 0.008 0.000 0.289 250 S C -0.078 174.353 174.600 -0.281 0.000 1.143 250 S CA -0.277 57.825 58.200 -0.163 0.000 1.067 250 S CB 0.231 63.407 63.200 -0.040 0.000 0.964 250 S HN 0.473 nan 8.310 nan 0.000 0.485 251 I N 4.344 124.647 120.570 -0.445 0.000 2.359 251 I HA 0.455 4.629 4.170 0.008 0.000 0.294 251 I C 0.485 176.387 176.117 -0.358 0.000 0.987 251 I CA -0.397 60.545 61.300 -0.596 0.000 1.225 251 I CB 0.944 38.273 38.000 -1.118 0.000 1.366 251 I HN 0.373 nan 8.210 nan 0.000 0.466 252 R N 4.666 124.963 120.500 -0.338 0.000 2.888 252 R HA 0.629 4.973 4.340 0.008 0.000 0.266 252 R C -1.021 175.023 176.300 -0.426 0.000 1.020 252 R CA -0.978 54.949 56.100 -0.289 0.000 0.963 252 R CB 2.653 32.852 30.300 -0.170 0.000 1.197 252 R HN 0.523 nan 8.270 nan 0.000 0.481 253 E N 0.545 120.424 120.200 -0.534 0.000 2.378 253 E HA 0.352 4.707 4.350 0.008 0.000 0.282 253 E C -0.844 175.589 176.600 -0.279 0.000 0.910 253 E CA -0.084 56.086 56.400 -0.384 0.000 0.816 253 E CB 1.353 30.731 29.700 -0.537 0.000 1.359 253 E HN 0.882 nan 8.360 nan 0.000 0.397 254 G N 1.426 110.168 108.800 -0.097 0.000 2.610 254 G HA2 -0.214 3.750 3.960 0.008 0.000 0.304 254 G HA3 -0.214 3.750 3.960 0.008 0.000 0.304 254 G C 0.025 174.928 174.900 0.006 0.000 1.309 254 G CA -0.351 44.740 45.100 -0.015 0.000 0.906 254 G HN 0.561 nan 8.290 nan 0.000 0.521 255 C N 0.879 120.247 119.300 0.113 0.000 2.563 255 C HA 0.447 4.912 4.460 0.008 0.000 0.307 255 C C 0.436 175.493 174.990 0.110 0.000 1.371 255 C CA -0.634 58.474 59.018 0.150 0.000 1.772 255 C CB -1.473 26.492 27.740 0.375 0.000 2.283 255 C HN 0.589 nan 8.230 nan 0.000 0.570 256 D N 2.181 122.611 120.400 0.051 0.000 2.264 256 D HA 0.241 4.885 4.640 0.008 0.000 0.249 256 D C -2.179 174.151 176.300 0.049 0.000 1.070 256 D CA -1.614 52.425 54.000 0.065 0.000 0.912 256 D CB 1.077 41.901 40.800 0.041 0.000 1.193 256 D HN 0.041 nan 8.370 nan 0.000 0.427 257 P HA 0.073 nan 4.420 nan 0.000 0.232 257 P C -0.912 176.437 177.300 0.082 0.000 1.738 257 P CA -0.060 63.101 63.100 0.102 0.000 0.948 257 P CB -0.187 31.617 31.700 0.173 0.000 1.943 258 V N -1.072 118.884 119.914 0.071 0.000 2.969 258 V HA 0.782 4.907 4.120 0.008 0.000 0.304 258 V C -1.386 174.808 176.094 0.166 0.000 1.192 258 V CA -0.988 61.376 62.300 0.108 0.000 0.962 258 V CB 3.066 34.964 31.823 0.124 0.000 1.045 258 V HN 0.361 nan 8.190 nan 0.000 0.428 259 N N 2.076 120.915 118.700 0.232 0.000 2.710 259 N HA 0.471 5.216 4.740 0.008 0.000 0.257 259 N C -1.334 174.200 175.510 0.040 0.000 1.327 259 N CA -0.900 52.276 53.050 0.210 0.000 0.861 259 N CB 2.553 41.089 38.487 0.081 0.000 1.532 259 N HN 0.811 nan 8.380 nan 0.000 0.499 260 R N 0.034 120.385 120.500 -0.248 0.000 2.528 260 R HA 0.504 4.848 4.340 0.008 0.000 0.271 260 R C -0.669 175.446 176.300 -0.308 0.000 1.056 260 R CA -0.756 55.085 56.100 -0.432 0.000 1.117 260 R CB 0.911 30.758 30.300 -0.755 0.000 1.085 260 R HN 0.487 nan 8.270 nan 0.000 0.530 261 L N 3.435 124.543 121.223 -0.192 0.000 2.457 261 L HA 0.373 4.717 4.340 0.008 0.000 0.266 261 L C -1.688 175.279 176.870 0.161 0.000 0.979 261 L CA -0.333 54.436 54.840 -0.119 0.000 0.857 261 L CB 0.902 42.815 42.059 -0.243 0.000 1.213 261 L HN 0.672 nan 8.230 nan 0.000 0.418 262 W N 4.332 125.532 121.300 -0.165 0.000 2.568 262 W HA 0.648 5.312 4.660 0.007 0.000 0.396 262 W C -0.241 176.339 176.519 0.102 0.000 1.554 262 W CA -0.623 56.663 57.345 -0.098 0.000 1.605 262 W CB 0.403 29.745 29.460 -0.195 0.000 1.543 262 W HN 0.485 nan 8.180 nan 0.000 0.692 263 Y N -1.329 119.189 120.300 0.363 0.000 2.662 263 Y HA 0.508 5.062 4.550 0.008 0.000 0.334 263 Y C -1.532 174.555 175.900 0.312 0.000 1.185 263 Y CA -2.246 56.016 58.100 0.270 0.000 1.074 263 Y CB 0.871 39.236 38.460 -0.159 0.000 1.330 263 Y HN 0.642 nan 8.280 nan 0.000 0.458 264 C N 3.602 123.168 119.300 0.443 0.000 2.516 264 C HA 0.477 4.942 4.460 0.008 0.000 0.338 264 C C -1.098 174.024 174.990 0.221 0.000 1.132 264 C CA -0.515 58.555 59.018 0.086 0.000 1.310 264 C CB 0.535 28.044 27.740 -0.385 0.000 1.898 264 C HN 0.932 nan 8.230 nan 0.000 0.452 265 D N 4.844 125.347 120.400 0.171 0.000 2.383 265 D HA 0.114 4.759 4.640 0.008 0.000 0.245 265 D C 1.294 177.531 176.300 -0.107 0.000 1.263 265 D CA 0.047 54.022 54.000 -0.041 0.000 0.936 265 D CB 0.580 41.394 40.800 0.023 0.000 1.053 265 D HN 0.764 nan 8.370 nan 0.000 0.507 266 L N 2.853 124.006 121.223 -0.116 0.000 2.263 266 L HA -0.220 4.125 4.340 0.008 0.000 0.216 266 L C 2.089 178.910 176.870 -0.081 0.000 1.111 266 L CA 1.082 55.874 54.840 -0.079 0.000 0.773 266 L CB -0.183 41.860 42.059 -0.027 0.000 0.906 266 L HN 0.463 nan 8.230 nan 0.000 0.439 267 Q N -0.913 118.825 119.800 -0.102 0.000 2.451 267 Q HA -0.090 4.254 4.340 0.008 0.000 0.206 267 Q C 1.574 177.542 176.000 -0.052 0.000 0.947 267 Q CA 0.419 56.181 55.803 -0.068 0.000 0.937 267 Q CB 0.248 28.943 28.738 -0.070 0.000 1.025 267 Q HN 0.473 nan 8.270 nan 0.000 0.511 268 Q N 0.067 119.830 119.800 -0.061 0.000 2.282 268 Q HA 0.070 4.414 4.340 0.008 0.000 0.206 268 Q C -0.325 175.635 176.000 -0.067 0.000 0.878 268 Q CA 0.329 56.102 55.803 -0.049 0.000 0.944 268 Q CB 0.874 29.590 28.738 -0.036 0.000 1.100 268 Q HN 0.234 nan 8.270 nan 0.000 0.509 269 E N 0.745 120.897 120.200 -0.079 0.000 2.194 269 E HA 0.111 4.466 4.350 0.008 0.000 0.284 269 E C 0.741 177.302 176.600 -0.065 0.000 1.035 269 E CA -0.058 56.288 56.400 -0.091 0.000 0.836 269 E CB 1.442 31.076 29.700 -0.110 0.000 1.070 269 E HN 0.038 nan 8.360 nan 0.000 0.401 270 S N 3.131 118.795 115.700 -0.059 0.000 2.374 270 S HA -0.192 4.283 4.470 0.008 0.000 0.227 270 S C 0.663 175.240 174.600 -0.038 0.000 1.037 270 S CA 1.322 59.496 58.200 -0.043 0.000 1.024 270 S CB -0.012 63.165 63.200 -0.039 0.000 0.861 270 S HN 0.411 nan 8.310 nan 0.000 0.456 271 N N 0.601 119.273 118.700 -0.046 0.000 2.610 271 N HA 0.460 5.205 4.740 0.008 0.000 0.307 271 N C 0.491 175.971 175.510 -0.051 0.000 1.813 271 N CA 0.419 53.445 53.050 -0.039 0.000 0.901 271 N CB 0.635 39.102 38.487 -0.033 0.000 1.354 271 N HN 0.384 nan 8.380 nan 0.000 0.491 272 G N 0.824 109.588 108.800 -0.060 0.000 2.539 272 G HA2 -0.281 3.683 3.960 0.008 0.000 0.256 272 G HA3 -0.281 3.683 3.960 0.008 0.000 0.256 272 G C -0.521 174.302 174.900 -0.129 0.000 1.233 272 G CA -0.443 44.609 45.100 -0.079 0.000 0.936 272 G HN 0.246 nan 8.290 nan 0.000 0.571 273 I N 2.212 122.665 120.570 -0.196 0.000 2.287 273 I HA 0.415 4.590 4.170 0.008 0.000 0.290 273 I C 1.331 177.335 176.117 -0.188 0.000 1.069 273 I CA 0.487 61.622 61.300 -0.275 0.000 1.237 273 I CB 1.371 39.004 38.000 -0.611 0.000 1.418 273 I HN 0.773 nan 8.210 nan 0.000 0.481 274 T N 0.630 115.112 114.554 -0.120 0.000 3.091 274 T HA 0.599 4.954 4.350 0.008 0.000 0.277 274 T C 0.468 175.144 174.700 -0.040 0.000 0.996 274 T CA 0.013 62.075 62.100 -0.064 0.000 0.897 274 T CB 0.617 69.456 68.868 -0.049 0.000 1.109 274 T HN 0.760 nan 8.240 nan 0.000 0.534 275 G N 1.375 110.144 108.800 -0.051 0.000 2.368 275 G HA2 0.308 4.273 3.960 0.008 0.000 0.269 275 G HA3 0.308 4.273 3.960 0.008 0.000 0.269 275 G C -1.545 173.339 174.900 -0.028 0.000 1.291 275 G CA -0.936 44.153 45.100 -0.019 0.000 0.903 275 G HN 0.258 nan 8.290 nan 0.000 0.483 276 I N 2.082 122.650 120.570 -0.003 0.000 2.828 276 I HA 0.043 4.218 4.170 0.008 0.000 0.292 276 I C 0.870 176.926 176.117 -0.101 0.000 1.206 276 I CA 0.604 61.919 61.300 0.025 0.000 1.420 276 I CB -0.652 37.384 38.000 0.060 0.000 1.368 276 I HN 0.261 nan 8.210 nan 0.000 0.556 277 L N 7.544 128.593 121.223 -0.290 0.000 2.453 277 L HA 0.205 4.550 4.340 0.008 0.000 0.261 277 L C 1.113 177.587 176.870 -0.660 0.000 1.179 277 L CA -0.725 53.742 54.840 -0.623 0.000 0.813 277 L CB 0.224 41.641 42.059 -1.070 0.000 1.110 277 L HN 0.462 nan 8.230 nan 0.000 0.466 278 K N 2.174 122.290 120.400 -0.474 0.000 2.449 278 K HA 0.072 4.396 4.320 0.008 0.000 0.237 278 K C -0.997 175.421 176.600 -0.304 0.000 1.265 278 K CA -0.022 56.088 56.287 -0.296 0.000 1.193 278 K CB -0.532 31.847 32.500 -0.201 0.000 1.515 278 K HN 0.359 nan 8.250 nan 0.000 0.259 279 W N 1.024 122.261 121.300 -0.105 0.000 2.257 279 W HA 0.005 4.670 4.660 0.008 0.000 0.337 279 W C 0.461 176.754 176.519 -0.377 0.000 1.321 279 W CA -0.719 56.532 57.345 -0.156 0.000 1.267 279 W CB 0.441 29.916 29.460 0.024 0.000 1.187 279 W HN 0.003 nan 8.180 nan 0.000 0.565 280 V N 5.308 125.030 119.914 -0.321 0.000 2.293 280 V HA 0.122 4.246 4.120 0.008 0.000 0.275 280 V C 0.184 175.968 176.094 -0.517 0.000 1.021 280 V CA -1.559 60.393 62.300 -0.580 0.000 0.815 280 V CB 0.643 31.807 31.823 -1.098 0.000 1.025 280 V HN 0.342 nan 8.190 nan 0.000 0.448 281 K N 4.914 124.976 120.400 -0.563 0.000 2.062 281 K HA 0.023 4.348 4.320 0.008 0.000 0.251 281 K C 0.765 177.200 176.600 -0.275 0.000 1.113 281 K CA -0.052 55.849 56.287 -0.643 0.000 1.096 281 K CB 0.470 32.528 32.500 -0.737 0.000 1.099 281 K HN 0.480 nan 8.250 nan 0.000 0.350 282 L N 2.810 123.956 121.223 -0.128 0.000 1.973 282 L HA -0.025 4.319 4.340 0.008 0.000 0.208 282 L C 0.658 177.484 176.870 -0.074 0.000 1.073 282 L CA 1.638 56.445 54.840 -0.055 0.000 0.746 282 L CB 0.187 42.228 42.059 -0.029 0.000 0.891 282 L HN 0.434 nan 8.230 nan 0.000 0.433 283 I N 0.947 121.448 120.570 -0.115 0.000 2.359 283 I HA 0.201 4.376 4.170 0.008 0.000 0.284 283 I C -0.633 175.427 176.117 -0.095 0.000 1.018 283 I CA -0.222 60.972 61.300 -0.176 0.000 1.173 283 I CB 0.588 38.304 38.000 -0.474 0.000 1.326 283 I HN 0.149 nan 8.210 nan 0.000 0.462 284 D N 5.876 126.227 120.400 -0.082 0.000 3.179 284 D HA 0.222 4.867 4.640 0.008 0.000 0.267 284 D C -0.318 175.879 176.300 -0.172 0.000 1.348 284 D CA 0.024 53.986 54.000 -0.065 0.000 0.897 284 D CB 0.147 40.917 40.800 -0.050 0.000 1.062 284 D HN 0.741 nan 8.370 nan 0.000 0.494 285 N N -2.272 116.242 118.700 -0.309 0.000 2.961 285 N HA 0.222 4.967 4.740 0.008 0.000 0.245 285 N C -1.234 174.021 175.510 -0.426 0.000 1.404 285 N CA -0.773 52.081 53.050 -0.327 0.000 0.880 285 N CB 0.204 38.635 38.487 -0.093 0.000 1.461 285 N HN -0.163 nan 8.380 nan 0.000 0.510 286 F N -0.468 119.469 119.950 -0.022 0.000 2.837 286 F HA 0.392 4.924 4.527 0.008 0.000 0.298 286 F C 1.335 177.137 175.800 0.002 0.000 1.161 286 F CA -0.459 57.520 58.000 -0.035 0.000 1.353 286 F CB 0.528 39.487 39.000 -0.068 0.000 0.951 286 F HN 0.602 nan 8.300 nan 0.000 0.508 287 E N 0.660 120.942 120.200 0.137 0.000 2.107 287 E HA 0.076 4.430 4.350 0.008 0.000 0.191 287 E C 1.385 178.010 176.600 0.043 0.000 0.982 287 E CA 0.810 57.258 56.400 0.081 0.000 0.809 287 E CB 0.177 29.904 29.700 0.044 0.000 0.756 287 E HN 0.430 nan 8.360 nan 0.000 0.459 288 G N -0.580 108.267 108.800 0.078 0.000 2.708 288 G HA2 0.337 4.302 3.960 0.008 0.000 0.289 288 G HA3 0.337 4.302 3.960 0.008 0.000 0.289 288 G C -1.569 173.302 174.900 -0.049 0.000 1.416 288 G CA -0.690 44.373 45.100 -0.061 0.000 0.829 288 G HN 0.025 nan 8.290 nan 0.000 0.480 289 E N -0.806 119.280 120.200 -0.189 0.000 2.242 289 E HA 0.550 4.905 4.350 0.008 0.000 0.275 289 E C -1.498 174.878 176.600 -0.373 0.000 1.002 289 E CA -0.659 55.694 56.400 -0.080 0.000 0.841 289 E CB 1.278 31.007 29.700 0.049 0.000 1.109 289 E HN 0.367 nan 8.360 nan 0.000 0.394 290 Y N 1.940 122.240 120.300 -0.000 0.000 2.322 290 Y HA 0.204 4.759 4.550 0.008 0.000 0.324 290 Y C -0.818 175.165 175.900 0.139 0.000 1.027 290 Y CA -1.050 57.023 58.100 -0.045 0.000 1.179 290 Y CB 1.628 39.877 38.460 -0.351 0.000 1.136 290 Y HN 0.438 nan 8.280 nan 0.000 0.449 291 D N 2.683 123.283 120.400 0.334 0.000 2.427 291 D HA 0.096 4.741 4.640 0.008 0.000 0.226 291 D C -0.910 175.660 176.300 0.450 0.000 1.076 291 D CA -0.585 53.618 54.000 0.338 0.000 0.849 291 D CB 0.349 41.266 40.800 0.194 0.000 1.052 291 D HN 0.404 nan 8.370 nan 0.000 0.515 292 Y N 3.833 124.369 120.300 0.394 0.000 2.721 292 Y HA 0.095 4.649 4.550 0.008 0.000 0.329 292 Y C 0.362 176.309 175.900 0.078 0.000 1.211 292 Y CA 0.435 58.664 58.100 0.214 0.000 1.512 292 Y CB 0.675 39.279 38.460 0.240 0.000 1.249 292 Y HN 0.268 nan 8.280 nan 0.000 0.549 293 V N 4.030 123.541 119.914 -0.672 0.000 2.721 293 V HA 0.163 4.288 4.120 0.008 0.000 0.236 293 V C 0.533 176.115 176.094 -0.853 0.000 1.116 293 V CA 1.358 63.334 62.300 -0.540 0.000 1.148 293 V CB 0.611 32.251 31.823 -0.304 0.000 0.886 293 V HN 0.851 nan 8.190 nan 0.000 0.490 294 T N 0.060 114.003 114.554 -1.018 0.000 2.677 294 T HA 0.389 4.743 4.350 0.008 0.000 0.305 294 T C -2.298 172.012 174.700 -0.650 0.000 1.569 294 T CA -0.489 61.161 62.100 -0.750 0.000 0.984 294 T CB 1.688 70.349 68.868 -0.345 0.000 1.629 294 T HN 0.521 nan 8.240 nan 0.000 0.494 295 N N 1.374 119.786 118.700 -0.481 0.000 2.371 295 N HA 0.302 5.047 4.740 0.008 0.000 0.280 295 N C -1.921 173.324 175.510 -0.442 0.000 1.084 295 N CA -0.642 51.981 53.050 -0.711 0.000 0.892 295 N CB 2.082 39.606 38.487 -1.605 0.000 1.653 295 N HN 0.428 nan 8.380 nan 0.000 0.480 296 E N 1.394 121.373 120.200 -0.368 0.000 2.141 296 E HA 0.447 4.802 4.350 0.008 0.000 0.259 296 E C 0.993 177.486 176.600 -0.179 0.000 0.883 296 E CA -0.016 56.261 56.400 -0.204 0.000 0.744 296 E CB 0.927 30.542 29.700 -0.140 0.000 1.150 296 E HN 0.977 nan 8.360 nan 0.000 0.420 297 G N 3.464 112.195 108.800 -0.115 0.000 2.591 297 G HA2 -0.411 3.554 3.960 0.008 0.000 0.298 297 G HA3 -0.411 3.554 3.960 0.008 0.000 0.298 297 G C 0.921 175.794 174.900 -0.045 0.000 1.195 297 G CA 0.770 45.855 45.100 -0.026 0.000 0.989 297 G HN 0.576 nan 8.290 nan 0.000 0.551 298 T N -1.477 113.072 114.554 -0.008 0.000 3.107 298 T HA 0.479 4.834 4.350 0.008 0.000 0.249 298 T C 0.708 175.307 174.700 -0.168 0.000 1.096 298 T CA 0.911 62.993 62.100 -0.030 0.000 1.012 298 T CB 0.264 69.195 68.868 0.106 0.000 0.977 298 T HN 1.033 nan 8.240 nan 0.000 0.527 299 V N 2.735 122.540 119.914 -0.183 0.000 2.353 299 V HA 0.432 4.557 4.120 0.008 0.000 0.264 299 V C -0.615 175.285 176.094 -0.323 0.000 1.049 299 V CA -0.926 61.272 62.300 -0.171 0.000 0.896 299 V CB -0.576 31.183 31.823 -0.108 0.000 1.025 299 V HN 0.322 nan 8.190 nan 0.000 0.475 300 F N 2.480 122.129 119.950 -0.502 0.000 2.404 300 F HA 0.499 5.030 4.527 0.008 0.000 0.339 300 F C 0.942 176.405 175.800 -0.562 0.000 1.105 300 F CA -0.258 57.384 58.000 -0.597 0.000 1.087 300 F CB 1.802 40.326 39.000 -0.793 0.000 1.143 300 F HN 0.326 nan 8.300 nan 0.000 0.491 301 T N 4.819 119.065 114.554 -0.514 0.000 2.767 301 T HA 0.589 4.943 4.350 0.008 0.000 0.284 301 T C -0.834 173.563 174.700 -0.505 0.000 0.973 301 T CA -0.302 61.581 62.100 -0.361 0.000 0.996 301 T CB 0.255 68.961 68.868 -0.269 0.000 0.927 301 T HN 0.178 nan 8.240 nan 0.000 0.456 302 F N 1.252 121.197 119.950 -0.008 0.000 2.577 302 F HA 0.533 5.065 4.527 0.008 0.000 0.318 302 F C 0.406 176.205 175.800 -0.002 0.000 1.065 302 F CA -1.318 56.704 58.000 0.036 0.000 0.929 302 F CB 1.795 40.871 39.000 0.126 0.000 1.237 302 F HN 0.247 nan 8.300 nan 0.000 0.468 303 K N 1.555 122.086 120.400 0.218 0.000 2.253 303 K HA 0.458 4.783 4.320 0.008 0.000 0.277 303 K C -0.808 175.868 176.600 0.128 0.000 1.053 303 K CA -0.004 56.358 56.287 0.125 0.000 0.892 303 K CB 1.153 33.699 32.500 0.077 0.000 1.102 303 K HN 0.797 nan 8.250 nan 0.000 0.469 304 T N 1.772 116.360 114.554 0.056 0.000 2.916 304 T HA 0.299 4.654 4.350 0.008 0.000 0.292 304 T C -0.221 174.386 174.700 -0.154 0.000 1.064 304 T CA -0.792 61.218 62.100 -0.150 0.000 1.011 304 T CB 0.862 69.485 68.868 -0.407 0.000 1.152 304 T HN 0.761 nan 8.240 nan 0.000 0.510 305 N N 1.304 119.785 118.700 -0.364 0.000 2.291 305 N HA 0.146 4.891 4.740 0.008 0.000 0.244 305 N C -0.127 175.180 175.510 -0.338 0.000 1.216 305 N CA -0.580 52.122 53.050 -0.579 0.000 0.879 305 N CB -0.020 37.828 38.487 -1.065 0.000 1.167 305 N HN 0.395 nan 8.380 nan 0.000 0.515 306 R N 1.142 121.471 120.500 -0.285 0.000 2.343 306 R HA 0.110 4.454 4.340 0.008 0.000 0.326 306 R C -0.309 175.928 176.300 -0.105 0.000 1.055 306 R CA 0.367 56.323 56.100 -0.240 0.000 0.961 306 R CB -0.831 29.353 30.300 -0.194 0.000 0.978 306 R HN 0.249 nan 8.270 nan 0.000 0.443 307 H N 1.035 120.086 119.070 -0.031 0.000 3.080 307 H HA -0.155 4.405 4.556 0.008 0.000 0.254 307 H C -0.929 174.382 175.328 -0.028 0.000 1.179 307 H CA 1.322 57.363 56.048 -0.011 0.000 1.144 307 H CB -1.739 28.037 29.762 0.025 0.000 1.261 307 H HN 0.579 nan 8.280 nan 0.000 0.333 308 S N -0.255 115.454 115.700 0.014 0.000 2.216 308 S HA 0.282 4.756 4.470 0.008 0.000 0.156 308 S C -1.825 172.683 174.600 -0.153 0.000 1.665 308 S CA -0.820 57.359 58.200 -0.035 0.000 1.262 308 S CB 2.375 65.556 63.200 -0.032 0.000 1.207 308 S HN -0.053 nan 8.310 nan 0.000 0.427 309 P HA -0.096 nan 4.420 nan 0.000 0.220 309 P C 0.546 177.813 177.300 -0.055 0.000 1.144 309 P CA 1.241 64.292 63.100 -0.082 0.000 0.800 309 P CB -0.013 31.701 31.700 0.023 0.000 0.772 310 N N -3.358 115.357 118.700 0.026 0.000 2.203 310 N HA 0.092 4.836 4.740 0.008 0.000 0.207 310 N C -0.805 174.916 175.510 0.352 0.000 1.130 310 N CA -0.159 53.020 53.050 0.214 0.000 0.861 310 N CB 0.278 38.891 38.487 0.210 0.000 1.005 310 N HN 0.040 nan 8.380 nan 0.000 0.507 311 Y N 0.580 120.908 120.300 0.047 0.000 2.506 311 Y HA -0.339 4.216 4.550 0.008 0.000 0.020 311 Y C 0.226 176.143 175.900 0.028 0.000 1.702 311 Y CA 0.033 58.140 58.100 0.013 0.000 1.419 311 Y CB -0.370 38.077 38.460 -0.022 0.000 2.065 311 Y HN 0.249 nan 8.280 nan 0.000 0.254 312 R N -0.129 120.468 120.500 0.161 0.000 2.764 312 R HA 0.833 5.178 4.340 0.008 0.000 0.276 312 R C -2.401 173.938 176.300 0.066 0.000 1.021 312 R CA -1.298 54.862 56.100 0.100 0.000 0.870 312 R CB 1.115 31.469 30.300 0.089 0.000 1.293 312 R HN 0.554 nan 8.270 nan 0.000 0.469 313 L N 2.173 123.422 121.223 0.044 0.000 2.329 313 L HA 0.678 5.023 4.340 0.008 0.000 0.279 313 L C -0.142 176.763 176.870 0.058 0.000 1.014 313 L CA -1.047 53.812 54.840 0.031 0.000 0.814 313 L CB 1.703 43.752 42.059 -0.017 0.000 1.257 313 L HN 0.632 nan 8.230 nan 0.000 0.424 314 I N 0.102 120.717 120.570 0.076 0.000 3.074 314 I HA 0.540 4.714 4.170 0.008 0.000 0.310 314 I C -1.243 174.920 176.117 0.077 0.000 1.153 314 I CA -0.771 60.583 61.300 0.090 0.000 0.993 314 I CB 2.620 40.677 38.000 0.094 0.000 1.237 314 I HN 0.504 nan 8.210 nan 0.000 0.443 315 N N 2.679 121.419 118.700 0.068 0.000 2.296 315 N HA 0.690 5.434 4.740 0.008 0.000 0.294 315 N C -1.539 173.990 175.510 0.032 0.000 1.033 315 N CA -0.613 52.462 53.050 0.041 0.000 0.839 315 N CB 2.641 41.147 38.487 0.031 0.000 1.395 315 N HN 0.449 nan 8.380 nan 0.000 0.479 316 I N 0.758 121.347 120.570 0.032 0.000 2.569 316 I HA 0.232 4.407 4.170 0.008 0.000 0.296 316 I C -0.786 175.389 176.117 0.096 0.000 1.028 316 I CA -0.611 60.713 61.300 0.040 0.000 1.082 316 I CB 2.042 40.037 38.000 -0.009 0.000 1.264 316 I HN 0.362 nan 8.210 nan 0.000 0.429 317 D N 5.035 125.543 120.400 0.181 0.000 2.344 317 D HA 0.276 4.920 4.640 0.008 0.000 0.239 317 D C 0.717 177.176 176.300 0.264 0.000 1.064 317 D CA -0.240 53.839 54.000 0.131 0.000 0.829 317 D CB 1.069 41.954 40.800 0.142 0.000 1.129 317 D HN 0.415 nan 8.370 nan 0.000 0.506 318 F N 1.091 121.082 119.950 0.068 0.000 2.307 318 F HA -0.214 4.318 4.527 0.008 0.000 0.301 318 F C 2.470 178.336 175.800 0.110 0.000 1.076 318 F CA 1.032 59.039 58.000 0.012 0.000 1.383 318 F CB 0.272 39.156 39.000 -0.194 0.000 1.055 318 F HN 0.406 nan 8.300 nan 0.000 0.526 319 T N -4.314 110.417 114.554 0.295 0.000 3.043 319 T HA -0.076 4.279 4.350 0.008 0.000 0.263 319 T C 0.694 175.503 174.700 0.182 0.000 1.094 319 T CA 0.594 62.823 62.100 0.215 0.000 1.127 319 T CB 0.031 69.001 68.868 0.170 0.000 0.905 319 T HN -0.047 nan 8.240 nan 0.000 0.490 320 D N 1.937 122.458 120.400 0.202 0.000 2.739 320 D HA 0.276 4.921 4.640 0.008 0.000 0.335 320 D C -1.800 174.649 176.300 0.249 0.000 1.216 320 D CA -1.963 52.146 54.000 0.182 0.000 0.808 320 D CB 1.527 42.422 40.800 0.158 0.000 1.121 320 D HN 0.130 nan 8.370 nan 0.000 0.499 321 P HA -0.137 nan 4.420 nan 0.000 0.219 321 P C 0.074 177.553 177.300 0.298 0.000 1.146 321 P CA 0.532 63.829 63.100 0.329 0.000 0.808 321 P CB 0.429 32.267 31.700 0.229 0.000 0.779 322 E N 0.841 121.104 120.200 0.106 0.000 2.558 322 E HA -0.138 4.217 4.350 0.008 0.000 0.255 322 E C 1.315 177.641 176.600 -0.456 0.000 0.968 322 E CA 0.106 56.450 56.400 -0.094 0.000 0.939 322 E CB 0.362 30.018 29.700 -0.074 0.000 0.921 322 E HN 0.344 nan 8.360 nan 0.000 0.477 323 E N 3.201 122.883 120.200 -0.863 0.000 2.147 323 E HA -0.302 4.053 4.350 0.008 0.000 0.199 323 E C 1.878 177.857 176.600 -1.035 0.000 1.005 323 E CA 1.822 57.072 56.400 -1.918 0.000 0.810 323 E CB 0.013 28.929 29.700 -1.307 0.000 0.736 323 E HN 0.539 nan 8.360 nan 0.000 0.460 324 S N 0.736 116.144 115.700 -0.487 0.000 2.374 324 S HA -0.224 4.251 4.470 0.008 0.000 0.227 324 S C 1.728 176.258 174.600 -0.118 0.000 1.037 324 S CA 1.521 59.586 58.200 -0.224 0.000 1.024 324 S CB -0.403 62.718 63.200 -0.133 0.000 0.861 324 S HN 0.275 nan 8.310 nan 0.000 0.456 325 K N -0.242 120.106 120.400 -0.087 0.000 2.486 325 K HA 0.040 4.364 4.320 0.008 0.000 0.194 325 K C 0.004 176.753 176.600 0.248 0.000 1.033 325 K CA -0.066 56.268 56.287 0.078 0.000 1.004 325 K CB -0.220 32.346 32.500 0.110 0.000 0.798 325 K HN 0.485 nan 8.250 nan 0.000 0.495 326 W N 2.484 123.837 121.300 0.089 0.000 2.187 326 W HA -0.027 4.638 4.660 0.008 0.000 0.348 326 W C 0.678 177.251 176.519 0.091 0.000 1.282 326 W CA -0.506 56.903 57.345 0.107 0.000 1.271 326 W CB 0.075 29.612 29.460 0.129 0.000 1.170 326 W HN -0.362 nan 8.180 nan 0.000 0.583 327 K N 1.026 121.617 120.400 0.317 0.000 2.259 327 K HA 0.591 4.916 4.320 0.008 0.000 0.252 327 K C -0.837 175.863 176.600 0.168 0.000 0.936 327 K CA -1.076 55.327 56.287 0.195 0.000 0.810 327 K CB 2.127 34.707 32.500 0.134 0.000 1.143 327 K HN 0.218 nan 8.250 nan 0.000 0.427 328 V N 3.393 123.389 119.914 0.136 0.000 2.406 328 V HA 0.198 4.323 4.120 0.008 0.000 0.272 328 V C 0.918 177.059 176.094 0.079 0.000 1.043 328 V CA -0.170 62.197 62.300 0.111 0.000 0.915 328 V CB 1.104 32.989 31.823 0.104 0.000 0.988 328 V HN 0.744 nan 8.190 nan 0.000 0.466 329 L N 6.257 127.518 121.223 0.064 0.000 2.130 329 L HA 0.276 4.621 4.340 0.008 0.000 0.200 329 L C 0.627 177.526 176.870 0.048 0.000 1.075 329 L CA 1.606 56.474 54.840 0.046 0.000 0.768 329 L CB 0.558 42.631 42.059 0.023 0.000 0.933 329 L HN 0.462 nan 8.230 nan 0.000 0.451 330 V N 1.195 121.134 119.914 0.042 0.000 2.385 330 V HA 0.366 4.490 4.120 0.008 0.000 0.277 330 V C -2.314 173.820 176.094 0.067 0.000 1.012 330 V CA -1.649 60.679 62.300 0.048 0.000 0.832 330 V CB 0.808 32.624 31.823 -0.011 0.000 1.028 330 V HN 0.084 nan 8.190 nan 0.000 0.436 331 P HA -0.013 nan 4.420 nan 0.000 0.266 331 P C 0.172 177.528 177.300 0.093 0.000 1.186 331 P CA 0.203 63.343 63.100 0.068 0.000 0.767 331 P CB 0.568 32.291 31.700 0.039 0.000 0.820 332 E N 2.769 123.026 120.200 0.096 0.000 2.418 332 E HA -0.062 4.292 4.350 0.008 0.000 0.261 332 E C -0.361 176.323 176.600 0.140 0.000 1.070 332 E CA -0.256 56.226 56.400 0.137 0.000 0.931 332 E CB 0.367 30.131 29.700 0.107 0.000 0.954 332 E HN 0.461 nan 8.360 nan 0.000 0.439 333 H N 1.660 120.791 119.070 0.102 0.000 2.482 333 H HA 0.038 4.598 4.556 0.008 0.000 0.344 333 H C 0.531 175.889 175.328 0.049 0.000 1.151 333 H CA 0.235 56.311 56.048 0.047 0.000 1.300 333 H CB 1.576 31.341 29.762 0.005 0.000 1.494 333 H HN 0.806 nan 8.280 nan 0.000 0.542 334 E N 1.852 122.078 120.200 0.044 0.000 2.347 334 E HA -0.067 4.287 4.350 0.008 0.000 0.196 334 E C 0.671 177.412 176.600 0.235 0.000 1.008 334 E CA 1.115 57.577 56.400 0.103 0.000 0.852 334 E CB 0.434 30.115 29.700 -0.031 0.000 0.783 334 E HN 0.437 nan 8.360 nan 0.000 0.505 335 K N -0.527 120.161 120.400 0.481 0.000 2.585 335 K HA 0.143 4.468 4.320 0.008 0.000 0.210 335 K C -0.737 175.958 176.600 0.159 0.000 1.504 335 K CA -0.021 56.415 56.287 0.249 0.000 1.029 335 K CB 0.923 33.539 32.500 0.193 0.000 1.332 335 K HN -0.050 nan 8.250 nan 0.000 0.569 336 D N 1.298 121.671 120.400 -0.045 0.000 2.225 336 D HA 0.142 4.787 4.640 0.008 0.000 0.248 336 D C -0.656 175.733 176.300 0.147 0.000 1.096 336 D CA -0.225 53.714 54.000 -0.101 0.000 0.863 336 D CB 1.660 42.128 40.800 -0.553 0.000 1.156 336 D HN -0.231 nan 8.370 nan 0.000 0.450 337 V N 2.764 122.766 119.914 0.147 0.000 2.530 337 V HA 0.082 4.206 4.120 0.008 0.000 0.282 337 V C 0.239 176.380 176.094 0.079 0.000 1.048 337 V CA -0.734 61.655 62.300 0.149 0.000 0.997 337 V CB 1.277 33.128 31.823 0.047 0.000 0.987 337 V HN 0.354 nan 8.190 nan 0.000 0.477 338 L N 5.385 126.594 121.223 -0.023 0.000 2.328 338 L HA 0.326 4.671 4.340 0.008 0.000 0.280 338 L C 1.172 177.770 176.870 -0.453 0.000 1.111 338 L CA 0.646 55.233 54.840 -0.421 0.000 0.909 338 L CB -0.190 41.660 42.059 -0.347 0.000 1.277 338 L HN 0.719 nan 8.230 nan 0.000 0.433 339 E N 4.581 124.509 120.200 -0.452 0.000 2.000 339 E HA -0.100 4.255 4.350 0.008 0.000 0.199 339 E C -0.314 176.146 176.600 -0.233 0.000 1.011 339 E CA 1.911 58.106 56.400 -0.342 0.000 0.836 339 E CB 0.006 29.565 29.700 -0.236 0.000 0.778 339 E HN 0.725 nan 8.360 nan 0.000 0.462 340 W N -1.005 120.132 121.300 -0.271 0.000 3.032 340 W HA 0.641 5.306 4.660 0.008 0.000 0.341 340 W C -1.220 175.143 176.519 -0.258 0.000 1.202 340 W CA -0.867 56.343 57.345 -0.227 0.000 1.132 340 W CB 0.696 30.060 29.460 -0.160 0.000 1.465 340 W HN -0.299 nan 8.180 nan 0.000 0.576 341 V N 1.065 121.073 119.914 0.158 0.000 2.888 341 V HA 0.812 4.937 4.120 0.008 0.000 0.309 341 V C -0.463 175.708 176.094 0.129 0.000 1.114 341 V CA -0.846 61.462 62.300 0.012 0.000 0.940 341 V CB 1.155 32.919 31.823 -0.099 0.000 1.021 341 V HN 0.892 nan 8.190 nan 0.000 0.426 342 A N 2.053 124.925 122.820 0.087 0.000 2.475 342 A HA 0.785 5.110 4.320 0.008 0.000 0.301 342 A C -0.893 176.759 177.584 0.113 0.000 1.059 342 A CA -0.490 51.618 52.037 0.119 0.000 0.710 342 A CB 1.795 20.873 19.000 0.130 0.000 1.288 342 A HN 1.155 nan 8.150 nan 0.000 0.408 343 C N 2.397 121.765 119.300 0.114 0.000 2.281 343 C HA 0.796 5.261 4.460 0.008 0.000 0.325 343 C C -0.497 174.595 174.990 0.171 0.000 1.282 343 C CA -0.217 58.862 59.018 0.102 0.000 1.640 343 C CB -0.271 27.471 27.740 0.002 0.000 2.288 343 C HN 1.089 nan 8.230 nan 0.000 0.507 344 V N 7.691 127.737 119.914 0.221 0.000 2.841 344 V HA 0.717 4.842 4.120 0.008 0.000 0.310 344 V C 0.032 176.238 176.094 0.187 0.000 1.090 344 V CA -0.433 62.008 62.300 0.235 0.000 0.930 344 V CB 1.691 33.715 31.823 0.335 0.000 1.014 344 V HN 1.003 nan 8.190 nan 0.000 0.425 345 R N 4.148 124.708 120.500 0.099 0.000 3.246 345 R HA -0.163 4.181 4.340 0.008 0.000 0.260 345 R C 1.053 177.267 176.300 -0.145 0.000 1.034 345 R CA 0.825 56.910 56.100 -0.024 0.000 0.691 345 R CB -1.757 28.521 30.300 -0.037 0.000 1.186 345 R HN 1.341 nan 8.270 nan 0.000 0.416 346 S N -1.673 113.990 115.700 -0.063 0.000 1.926 346 S HA -0.371 4.103 4.470 0.008 0.000 0.218 346 S C 0.786 175.325 174.600 -0.102 0.000 1.007 346 S CA 2.512 60.665 58.200 -0.079 0.000 1.736 346 S CB -0.840 62.303 63.200 -0.096 0.000 2.324 346 S HN 0.879 nan 8.310 nan 0.000 0.555 347 N N 0.281 118.860 118.700 -0.202 0.000 2.282 347 N HA 0.499 5.244 4.740 0.008 0.000 0.240 347 N C -0.350 175.139 175.510 -0.036 0.000 1.182 347 N CA -0.299 52.660 53.050 -0.152 0.000 0.874 347 N CB 0.265 38.646 38.487 -0.177 0.000 1.126 347 N HN 0.473 nan 8.380 nan 0.000 0.516 348 F N 0.721 120.692 119.950 0.034 0.000 2.492 348 F HA 0.527 5.058 4.527 0.008 0.000 0.327 348 F C -0.134 175.698 175.800 0.053 0.000 1.079 348 F CA -1.336 56.695 58.000 0.051 0.000 0.967 348 F CB 1.775 40.822 39.000 0.079 0.000 1.169 348 F HN -0.136 nan 8.300 nan 0.000 0.472 349 L N 3.391 124.776 121.223 0.269 0.000 2.385 349 L HA 0.525 4.869 4.340 0.008 0.000 0.273 349 L C -1.128 175.799 176.870 0.095 0.000 0.990 349 L CA -1.038 53.881 54.840 0.131 0.000 0.821 349 L CB 2.230 44.323 42.059 0.057 0.000 1.279 349 L HN 0.256 nan 8.230 nan 0.000 0.412 350 V N 4.836 124.780 119.914 0.050 0.000 2.328 350 V HA 0.361 4.485 4.120 0.008 0.000 0.278 350 V C 0.111 176.073 176.094 -0.220 0.000 1.021 350 V CA -0.426 61.864 62.300 -0.017 0.000 0.838 350 V CB 1.365 33.203 31.823 0.025 0.000 0.999 350 V HN 0.479 nan 8.190 nan 0.000 0.447 351 L N 4.427 125.478 121.223 -0.286 0.000 2.282 351 L HA 0.468 4.813 4.340 0.008 0.000 0.288 351 L C -0.122 176.340 176.870 -0.680 0.000 1.033 351 L CA -0.143 54.374 54.840 -0.539 0.000 0.807 351 L CB 1.580 43.314 42.059 -0.542 0.000 1.209 351 L HN 0.719 nan 8.230 nan 0.000 0.423 352 C N 4.807 123.450 119.300 -1.096 0.000 2.264 352 C HA 0.505 4.970 4.460 0.008 0.000 0.322 352 C C -0.115 174.389 174.990 -0.810 0.000 1.210 352 C CA -0.464 57.888 59.018 -1.110 0.000 1.539 352 C CB -0.650 25.745 27.740 -2.242 0.000 2.167 352 C HN 0.627 nan 8.230 nan 0.000 0.463 353 Y N 3.580 123.644 120.300 -0.394 0.000 2.432 353 Y HA 0.635 5.189 4.550 0.008 0.000 0.322 353 Y C 0.106 175.898 175.900 -0.180 0.000 1.246 353 Y CA -0.758 57.183 58.100 -0.265 0.000 1.268 353 Y CB 1.114 39.445 38.460 -0.215 0.000 1.276 353 Y HN 0.484 nan 8.280 nan 0.000 0.499 354 L N 2.475 123.731 121.223 0.055 0.000 2.294 354 L HA 0.307 4.652 4.340 0.008 0.000 0.283 354 L C -1.381 175.512 176.870 0.038 0.000 1.015 354 L CA -0.467 54.376 54.840 0.006 0.000 0.831 354 L CB 0.107 42.123 42.059 -0.070 0.000 1.217 354 L HN 0.596 nan 8.230 nan 0.000 0.420 355 H N 4.354 123.396 119.070 -0.047 0.000 2.691 355 H HA 0.369 4.930 4.556 0.008 0.000 0.281 355 H C -0.664 174.664 175.328 0.001 0.000 1.121 355 H CA -0.360 55.659 56.048 -0.049 0.000 1.254 355 H CB 0.234 29.961 29.762 -0.059 0.000 1.390 355 H HN 0.636 nan 8.280 nan 0.000 0.491 356 D N 4.253 124.472 120.400 -0.301 0.000 2.716 356 D HA -0.182 4.463 4.640 0.008 0.000 0.239 356 D C 0.517 176.739 176.300 -0.129 0.000 1.125 356 D CA 1.185 55.081 54.000 -0.173 0.000 0.681 356 D CB -1.389 39.314 40.800 -0.161 0.000 1.070 356 D HN 0.561 nan 8.370 nan 0.000 0.432 357 V N -3.370 116.432 119.914 -0.187 0.000 2.612 357 V HA -0.373 3.751 4.120 0.008 0.000 0.144 357 V C 0.860 177.026 176.094 0.121 0.000 0.487 357 V CA 2.089 64.363 62.300 -0.043 0.000 1.265 357 V CB -1.867 29.969 31.823 0.022 0.000 1.456 357 V HN 0.466 nan 8.190 nan 0.000 1.046 358 K N 0.207 120.673 120.400 0.109 0.000 2.221 358 K HA 0.637 4.962 4.320 0.008 0.000 0.243 358 K C -0.109 176.568 176.600 0.129 0.000 0.968 358 K CA -0.634 55.752 56.287 0.165 0.000 0.846 358 K CB 1.638 34.264 32.500 0.210 0.000 1.141 358 K HN 0.391 nan 8.250 nan 0.000 0.434 359 N N 0.369 119.154 118.700 0.142 0.000 2.421 359 N HA 0.268 5.013 4.740 0.008 0.000 0.285 359 N C -1.353 174.208 175.510 0.085 0.000 1.027 359 N CA -0.396 52.718 53.050 0.107 0.000 0.918 359 N CB 1.267 39.840 38.487 0.144 0.000 1.152 359 N HN 0.509 nan 8.380 nan 0.000 0.485 360 T N 0.051 114.622 114.554 0.028 0.000 2.841 360 T HA 0.476 4.830 4.350 0.008 0.000 0.283 360 T C -0.635 174.027 174.700 -0.063 0.000 1.000 360 T CA -0.820 61.273 62.100 -0.011 0.000 0.977 360 T CB 0.882 69.730 68.868 -0.034 0.000 0.979 360 T HN 0.185 nan 8.240 nan 0.000 0.446 361 L N 2.895 124.069 121.223 -0.081 0.000 2.325 361 L HA 0.519 4.864 4.340 0.008 0.000 0.281 361 L C -0.412 176.397 176.870 -0.102 0.000 1.004 361 L CA -0.673 54.101 54.840 -0.111 0.000 0.823 361 L CB 1.727 43.713 42.059 -0.121 0.000 1.236 361 L HN 0.830 nan 8.230 nan 0.000 0.415 362 Q N 3.558 123.288 119.800 -0.116 0.000 2.423 362 Q HA 0.548 4.893 4.340 0.008 0.000 0.278 362 Q C -1.455 174.465 176.000 -0.135 0.000 1.097 362 Q CA -0.999 54.680 55.803 -0.208 0.000 0.809 362 Q CB 3.290 32.008 28.738 -0.033 0.000 1.391 362 Q HN 0.341 nan 8.270 nan 0.000 0.428 363 L N 1.875 122.885 121.223 -0.354 0.000 2.287 363 L HA 0.414 4.759 4.340 0.008 0.000 0.287 363 L C -1.048 175.685 176.870 -0.228 0.000 1.022 363 L CA 0.054 54.742 54.840 -0.254 0.000 0.814 363 L CB 0.701 42.466 42.059 -0.489 0.000 1.217 363 L HN 0.621 nan 8.230 nan 0.000 0.420 364 H N 1.786 120.772 119.070 -0.139 0.000 2.731 364 H HA 0.269 4.830 4.556 0.008 0.000 0.368 364 H C -1.260 174.082 175.328 0.024 0.000 1.168 364 H CA -0.926 55.081 56.048 -0.067 0.000 1.181 364 H CB 2.206 31.947 29.762 -0.034 0.000 1.743 364 H HN 0.518 nan 8.280 nan 0.000 0.547 365 D N 1.139 121.632 120.400 0.154 0.000 2.308 365 D HA -0.011 4.634 4.640 0.008 0.000 0.251 365 D C 0.935 177.320 176.300 0.142 0.000 1.127 365 D CA -0.445 53.664 54.000 0.181 0.000 0.876 365 D CB 1.078 41.948 40.800 0.117 0.000 1.176 365 D HN 0.246 nan 8.370 nan 0.000 0.446 366 L N 5.006 126.305 121.223 0.126 0.000 2.017 366 L HA -0.011 4.334 4.340 0.008 0.000 0.208 366 L C 1.962 178.847 176.870 0.024 0.000 1.073 366 L CA 2.349 57.220 54.840 0.052 0.000 0.745 366 L CB -1.056 41.012 42.059 0.015 0.000 0.894 366 L HN 0.606 nan 8.230 nan 0.000 0.432 367 A N -1.448 121.387 122.820 0.024 0.000 1.883 367 A HA -0.240 4.085 4.320 0.008 0.000 0.217 367 A C 2.384 179.982 177.584 0.023 0.000 1.186 367 A CA 2.854 54.899 52.037 0.013 0.000 0.624 367 A CB -1.200 17.806 19.000 0.011 0.000 0.822 367 A HN 0.617 nan 8.150 nan 0.000 0.444 368 T N -5.811 108.766 114.554 0.038 0.000 3.042 368 T HA 0.422 4.777 4.350 0.008 0.000 0.245 368 T C 1.485 176.218 174.700 0.055 0.000 1.029 368 T CA 1.356 63.480 62.100 0.040 0.000 1.120 368 T CB 0.331 69.220 68.868 0.035 0.000 0.917 368 T HN 1.793 nan 8.240 nan 0.000 0.467 369 G N 1.423 110.270 108.800 0.079 0.000 2.195 369 G HA2 0.033 3.997 3.960 0.008 0.000 0.224 369 G HA3 0.033 3.997 3.960 0.008 0.000 0.224 369 G C 0.425 175.437 174.900 0.187 0.000 0.990 369 G CA -0.004 45.170 45.100 0.124 0.000 0.639 369 G HN 1.230 nan 8.290 nan 0.000 0.514 370 A N 0.211 123.082 122.820 0.085 0.000 2.555 370 A HA 0.507 4.831 4.320 0.008 0.000 0.233 370 A C 0.605 178.109 177.584 -0.133 0.000 1.060 370 A CA 0.844 52.884 52.037 0.005 0.000 0.759 370 A CB 0.332 19.321 19.000 -0.019 0.000 0.995 370 A HN 1.778 nan 8.150 nan 0.000 0.506 371 L N 2.426 123.467 121.223 -0.302 0.000 2.331 371 L HA 0.425 4.769 4.340 0.008 0.000 0.278 371 L C 0.453 177.078 176.870 -0.408 0.000 1.106 371 L CA 0.322 54.752 54.840 -0.684 0.000 0.824 371 L CB 0.448 42.188 42.059 -0.530 0.000 1.142 371 L HN 0.734 nan 8.230 nan 0.000 0.443 372 L N 2.727 123.688 121.223 -0.438 0.000 2.488 372 L HA 0.379 4.723 4.340 0.008 0.000 0.186 372 L C 0.643 177.304 176.870 -0.348 0.000 1.124 372 L CA 0.006 54.654 54.840 -0.319 0.000 0.838 372 L CB -0.106 41.762 42.059 -0.318 0.000 1.107 372 L HN 0.502 nan 8.230 nan 0.000 0.494 373 K N 0.666 120.786 120.400 -0.467 0.000 2.435 373 K HA 0.557 4.882 4.320 0.008 0.000 0.251 373 K C -1.390 174.822 176.600 -0.646 0.000 0.954 373 K CA -0.537 55.435 56.287 -0.524 0.000 0.820 373 K CB 2.835 34.969 32.500 -0.610 0.000 1.292 373 K HN -0.035 nan 8.250 nan 0.000 0.436 374 I N 3.633 123.885 120.570 -0.529 0.000 2.420 374 I HA 0.265 4.440 4.170 0.008 0.000 0.282 374 I C -0.515 175.377 176.117 -0.375 0.000 1.019 374 I CA -0.716 60.324 61.300 -0.434 0.000 1.130 374 I CB 0.800 38.645 38.000 -0.258 0.000 1.262 374 I HN 0.400 nan 8.210 nan 0.000 0.454 375 F N 7.530 127.377 119.950 -0.172 0.000 2.472 375 F HA 0.212 4.744 4.527 0.008 0.000 0.364 375 F C -1.453 174.229 175.800 -0.197 0.000 1.090 375 F CA -1.958 55.928 58.000 -0.190 0.000 1.188 375 F CB 0.405 39.248 39.000 -0.262 0.000 1.105 375 F HN 0.262 nan 8.300 nan 0.000 0.536 376 P HA 0.110 nan 4.420 nan 0.000 0.267 376 P C -0.848 176.352 177.300 -0.166 0.000 1.209 376 P CA 0.309 63.363 63.100 -0.076 0.000 0.763 376 P CB 1.065 32.730 31.700 -0.059 0.000 0.816 377 L N 2.474 123.598 121.223 -0.167 0.000 2.464 377 L HA 0.312 4.656 4.340 0.008 0.000 0.266 377 L C 0.863 177.597 176.870 -0.226 0.000 0.965 377 L CA -0.953 53.712 54.840 -0.291 0.000 0.833 377 L CB 2.609 44.547 42.059 -0.202 0.000 1.296 377 L HN 0.292 nan 8.230 nan 0.000 0.405 378 E N 1.229 121.212 120.200 -0.363 0.000 3.056 378 E HA 0.174 4.529 4.350 0.008 0.000 0.275 378 E C -0.557 176.107 176.600 0.108 0.000 1.468 378 E CA -0.264 56.088 56.400 -0.081 0.000 1.219 378 E CB 0.784 30.486 29.700 0.004 0.000 1.119 378 E HN 0.172 nan 8.360 nan 0.000 0.710 379 V N 0.262 120.330 119.914 0.257 0.000 2.461 379 V HA 0.541 4.666 4.120 0.008 0.000 0.275 379 V C 0.722 177.037 176.094 0.369 0.000 1.047 379 V CA 0.986 63.463 62.300 0.296 0.000 0.955 379 V CB 0.458 32.434 31.823 0.254 0.000 0.988 379 V HN 0.799 nan 8.190 nan 0.000 0.471 380 G N 4.133 113.122 108.800 0.314 0.000 2.351 380 G HA2 0.352 4.316 3.960 0.008 0.000 0.279 380 G HA3 0.352 4.316 3.960 0.008 0.000 0.279 380 G C -0.913 174.060 174.900 0.121 0.000 1.297 380 G CA -0.106 45.023 45.100 0.048 0.000 0.886 380 G HN 0.724 nan 8.290 nan 0.000 0.493 381 S N -1.641 114.027 115.700 -0.054 0.000 2.689 381 S HA 0.751 5.225 4.470 0.008 0.000 0.306 381 S C -0.672 174.047 174.600 0.198 0.000 1.104 381 S CA -0.742 57.508 58.200 0.083 0.000 0.973 381 S CB 2.068 65.272 63.200 0.006 0.000 1.121 381 S HN 1.033 nan 8.310 nan 0.000 0.523 382 V N 2.328 122.416 119.914 0.289 0.000 2.294 382 V HA 0.197 4.321 4.120 0.008 0.000 0.272 382 V C 0.538 176.821 176.094 0.315 0.000 1.027 382 V CA -0.291 62.248 62.300 0.399 0.000 0.823 382 V CB 0.985 33.105 31.823 0.494 0.000 1.030 382 V HN 0.821 nan 8.190 nan 0.000 0.457 383 V N 4.083 124.139 119.914 0.238 0.000 3.235 383 V HA 0.326 4.450 4.120 0.008 0.000 0.259 383 V C 1.133 177.323 176.094 0.159 0.000 1.133 383 V CA 1.404 63.800 62.300 0.160 0.000 1.128 383 V CB 0.149 32.041 31.823 0.114 0.000 0.757 383 V HN 0.868 nan 8.190 nan 0.000 0.469 384 G N -1.502 107.435 108.800 0.229 0.000 2.718 384 G HA2 0.573 4.538 3.960 0.008 0.000 0.295 384 G HA3 0.573 4.538 3.960 0.008 0.000 0.295 384 G C -2.269 172.815 174.900 0.308 0.000 1.421 384 G CA -0.450 44.772 45.100 0.204 0.000 0.902 384 G HN -0.048 nan 8.290 nan 0.000 0.501 385 Y N 0.627 120.967 120.300 0.067 0.000 2.592 385 Y HA 0.713 5.268 4.550 0.008 0.000 0.334 385 Y C -0.842 175.130 175.900 0.120 0.000 1.136 385 Y CA -0.772 57.399 58.100 0.119 0.000 1.042 385 Y CB 2.300 40.678 38.460 -0.136 0.000 1.325 385 Y HN 1.150 nan 8.280 nan 0.000 0.457 386 S N 3.450 118.601 115.700 -0.914 0.000 2.603 386 S HA 0.843 5.317 4.470 0.008 0.000 0.274 386 S C -0.944 173.272 174.600 -0.641 0.000 1.168 386 S CA 0.055 57.933 58.200 -0.538 0.000 0.963 386 S CB 1.110 64.305 63.200 -0.009 0.000 1.078 386 S HN 1.927 nan 8.310 nan 0.000 0.477 387 G N 3.302 111.905 108.800 -0.329 0.000 1.834 387 G HA2 0.364 4.328 3.960 0.008 0.000 0.247 387 G HA3 0.364 4.328 3.960 0.008 0.000 0.247 387 G C -1.537 173.485 174.900 0.204 0.000 1.691 387 G CA -0.725 44.387 45.100 0.020 0.000 0.922 387 G HN 0.628 nan 8.290 nan 0.000 0.682 388 Q N 1.209 121.109 119.800 0.167 0.000 2.252 388 Q HA 0.411 4.756 4.340 0.008 0.000 0.256 388 Q C 1.227 177.318 176.000 0.151 0.000 1.020 388 Q CA -0.950 54.954 55.803 0.169 0.000 0.913 388 Q CB 1.854 30.673 28.738 0.135 0.000 1.286 388 Q HN 0.611 nan 8.270 nan 0.000 0.480 389 K N 0.931 121.408 120.400 0.128 0.000 2.160 389 K HA -0.200 4.125 4.320 0.008 0.000 0.206 389 K C 1.298 177.943 176.600 0.074 0.000 1.047 389 K CA 1.846 58.188 56.287 0.093 0.000 0.930 389 K CB 0.184 32.727 32.500 0.073 0.000 0.720 389 K HN 0.453 nan 8.250 nan 0.000 0.450 390 K N -0.369 120.078 120.400 0.078 0.000 2.400 390 K HA 0.065 4.390 4.320 0.008 0.000 0.194 390 K C 0.076 176.711 176.600 0.060 0.000 1.033 390 K CA 0.082 56.404 56.287 0.058 0.000 1.021 390 K CB 0.210 32.741 32.500 0.052 0.000 0.808 390 K HN -0.073 nan 8.250 nan 0.000 0.505 391 D N 2.385 122.836 120.400 0.084 0.000 2.362 391 D HA 0.001 4.646 4.640 0.008 0.000 0.242 391 D C 0.530 176.895 176.300 0.109 0.000 1.132 391 D CA 0.398 54.458 54.000 0.100 0.000 0.907 391 D CB 1.619 42.498 40.800 0.130 0.000 1.195 391 D HN 0.269 nan 8.370 nan 0.000 0.429 392 T N -2.174 112.448 114.554 0.114 0.000 3.228 392 T HA 0.244 4.598 4.350 0.008 0.000 0.278 392 T C 0.175 174.942 174.700 0.110 0.000 1.014 392 T CA -0.610 61.554 62.100 0.107 0.000 0.904 392 T CB 0.002 68.920 68.868 0.083 0.000 1.110 392 T HN 0.558 nan 8.240 nan 0.000 0.541 393 E N 0.975 121.249 120.200 0.122 0.000 2.388 393 E HA 0.524 4.879 4.350 0.008 0.000 0.280 393 E C -1.478 175.164 176.600 0.069 0.000 1.019 393 E CA -1.239 55.183 56.400 0.037 0.000 0.806 393 E CB 1.653 31.388 29.700 0.058 0.000 1.246 393 E HN 0.391 nan 8.360 nan 0.000 0.443 394 I N -1.341 119.192 120.570 -0.062 0.000 3.002 394 I HA 0.796 4.971 4.170 0.008 0.000 0.310 394 I C -1.539 174.512 176.117 -0.110 0.000 1.087 394 I CA -1.154 60.176 61.300 0.051 0.000 1.017 394 I CB 1.810 39.957 38.000 0.244 0.000 1.226 394 I HN 0.499 nan 8.210 nan 0.000 0.443 395 F N 2.370 122.346 119.950 0.042 0.000 2.601 395 F HA 0.668 5.200 4.527 0.008 0.000 0.309 395 F C -1.198 174.722 175.800 0.200 0.000 1.089 395 F CA -0.465 57.549 58.000 0.024 0.000 0.940 395 F CB 2.329 41.300 39.000 -0.048 0.000 1.273 395 F HN 0.561 nan 8.300 nan 0.000 0.450 396 Y N 0.028 120.544 120.300 0.361 0.000 2.436 396 Y HA 0.499 5.054 4.550 0.008 0.000 0.327 396 Y C -1.306 174.831 175.900 0.396 0.000 1.138 396 Y CA -1.211 57.122 58.100 0.388 0.000 1.042 396 Y CB 1.008 39.734 38.460 0.442 0.000 1.302 396 Y HN 0.635 nan 8.280 nan 0.000 0.439 397 Q N 3.744 123.804 119.800 0.433 0.000 2.257 397 Q HA 0.518 4.862 4.340 0.008 0.000 0.255 397 Q C -1.881 174.397 176.000 0.464 0.000 0.920 397 Q CA -0.908 55.109 55.803 0.357 0.000 0.927 397 Q CB 1.345 30.241 28.738 0.263 0.000 1.229 397 Q HN 0.742 nan 8.270 nan 0.000 0.433 398 F N 2.671 122.808 119.950 0.311 0.000 2.467 398 F HA 0.560 5.092 4.527 0.008 0.000 0.336 398 F C -0.890 175.017 175.800 0.179 0.000 1.123 398 F CA -0.272 57.903 58.000 0.293 0.000 0.964 398 F CB 2.011 41.248 39.000 0.395 0.000 1.136 398 F HN 0.451 nan 8.300 nan 0.000 0.447 399 T N 3.706 117.825 114.554 -0.725 0.000 2.916 399 T HA 0.726 5.080 4.350 0.008 0.000 0.292 399 T C -1.188 172.963 174.700 -0.915 0.000 1.064 399 T CA -0.265 61.432 62.100 -0.671 0.000 1.011 399 T CB 1.674 70.397 68.868 -0.242 0.000 1.152 399 T HN 0.847 nan 8.240 nan 0.000 0.510 400 S N 0.195 115.574 115.700 -0.536 0.000 2.929 400 S HA 0.547 5.022 4.470 0.008 0.000 0.311 400 S C 0.065 174.528 174.600 -0.230 0.000 1.213 400 S CA -0.568 57.374 58.200 -0.430 0.000 0.908 400 S CB 0.213 63.270 63.200 -0.238 0.000 1.287 400 S HN 0.652 nan 8.310 nan 0.000 0.594 401 F N 0.587 120.490 119.950 -0.079 0.000 2.234 401 F HA 0.243 4.774 4.527 0.008 0.000 0.296 401 F C 1.268 177.107 175.800 0.065 0.000 1.089 401 F CA 0.758 58.721 58.000 -0.062 0.000 1.343 401 F CB 0.195 39.113 39.000 -0.136 0.000 1.040 401 F HN 0.272 nan 8.300 nan 0.000 0.498 402 L N -1.893 119.504 121.223 0.290 0.000 3.066 402 L HA 0.305 4.649 4.340 0.008 0.000 0.265 402 L C 0.169 177.151 176.870 0.186 0.000 1.232 402 L CA -0.078 54.933 54.840 0.286 0.000 1.031 402 L CB 0.475 42.648 42.059 0.191 0.000 1.379 402 L HN -0.179 nan 8.230 nan 0.000 0.563 403 S N 0.454 116.201 115.700 0.079 0.000 2.733 403 S HA 0.484 4.959 4.470 0.008 0.000 0.307 403 S C -2.006 172.329 174.600 -0.441 0.000 1.127 403 S CA -1.155 56.956 58.200 -0.148 0.000 1.097 403 S CB 1.304 64.484 63.200 -0.033 0.000 1.003 403 S HN -0.093 nan 8.310 nan 0.000 0.477 404 P HA 0.163 nan 4.420 nan 0.000 0.223 404 P C 0.540 177.664 177.300 -0.293 0.000 1.144 404 P CA 1.083 63.617 63.100 -0.943 0.000 0.783 404 P CB -0.183 30.933 31.700 -0.974 0.000 0.771 405 G N -0.899 107.793 108.800 -0.181 0.000 2.521 405 G HA2 0.113 4.078 3.960 0.008 0.000 0.589 405 G HA3 0.113 4.078 3.960 0.008 0.000 0.589 405 G C -1.455 173.470 174.900 0.042 0.000 1.501 405 G CA -0.900 44.183 45.100 -0.028 0.000 0.887 405 G HN 0.028 nan 8.290 nan 0.000 0.654 406 I N 2.300 122.946 120.570 0.126 0.000 2.447 406 I HA 0.438 4.613 4.170 0.008 0.000 0.287 406 I C 0.167 176.285 176.117 0.002 0.000 1.023 406 I CA -0.875 60.443 61.300 0.030 0.000 1.083 406 I CB 2.017 40.031 38.000 0.023 0.000 1.245 406 I HN 0.382 nan 8.210 nan 0.000 0.434 407 I N 6.563 127.087 120.570 -0.076 0.000 2.297 407 I HA 0.279 4.453 4.170 0.008 0.000 0.291 407 I C -0.601 175.415 176.117 -0.169 0.000 1.033 407 I CA -0.387 60.904 61.300 -0.014 0.000 1.253 407 I CB 0.380 38.439 38.000 0.099 0.000 1.396 407 I HN 0.421 nan 8.210 nan 0.000 0.476 408 Y N 4.939 125.072 120.300 -0.278 0.000 2.374 408 Y HA 0.414 4.968 4.550 0.008 0.000 0.322 408 Y C 0.403 176.055 175.900 -0.414 0.000 1.275 408 Y CA -0.243 57.602 58.100 -0.425 0.000 1.307 408 Y CB 0.984 38.927 38.460 -0.862 0.000 1.282 408 Y HN 0.466 nan 8.280 nan 0.000 0.509 409 H N 0.445 119.343 119.070 -0.286 0.000 2.894 409 H HA 0.487 5.048 4.556 0.008 0.000 0.367 409 H C -1.859 173.253 175.328 -0.360 0.000 1.144 409 H CA -0.724 54.983 56.048 -0.567 0.000 1.180 409 H CB 2.044 31.468 29.762 -0.563 0.000 1.758 409 H HN 0.775 nan 8.280 nan 0.000 0.541 410 C N 4.725 123.434 119.300 -0.985 0.000 2.516 410 C HA 0.167 4.631 4.460 0.008 0.000 0.338 410 C C -0.719 173.887 174.990 -0.641 0.000 1.132 410 C CA -0.650 57.981 59.018 -0.645 0.000 1.310 410 C CB 0.627 28.143 27.740 -0.372 0.000 1.898 410 C HN 0.855 nan 8.230 nan 0.000 0.452 411 D N 4.168 124.291 120.400 -0.460 0.000 2.365 411 D HA 0.229 4.874 4.640 0.008 0.000 0.237 411 D C 1.046 177.314 176.300 -0.054 0.000 1.190 411 D CA -0.033 53.838 54.000 -0.214 0.000 0.867 411 D CB 0.768 41.506 40.800 -0.103 0.000 1.050 411 D HN 0.642 nan 8.370 nan 0.000 0.491 412 L N 2.535 123.774 121.223 0.027 0.000 2.552 412 L HA -0.024 4.321 4.340 0.008 0.000 0.227 412 L C 1.582 178.558 176.870 0.177 0.000 1.146 412 L CA 0.651 55.588 54.840 0.161 0.000 0.858 412 L CB -0.467 41.768 42.059 0.292 0.000 0.969 412 L HN 0.412 nan 8.230 nan 0.000 0.451 413 T N -3.039 111.574 114.554 0.099 0.000 3.330 413 T HA 0.185 4.540 4.350 0.008 0.000 0.249 413 T C 0.414 175.151 174.700 0.063 0.000 0.980 413 T CA -0.237 61.911 62.100 0.079 0.000 0.920 413 T CB -0.205 68.696 68.868 0.055 0.000 1.065 413 T HN 0.089 nan 8.240 nan 0.000 0.588 414 K N 0.977 121.418 120.400 0.068 0.000 2.378 414 K HA 0.333 4.658 4.320 0.008 0.000 0.252 414 K C 0.433 177.065 176.600 0.053 0.000 0.931 414 K CA -0.825 55.490 56.287 0.047 0.000 0.794 414 K CB 2.240 34.756 32.500 0.027 0.000 1.181 414 K HN -0.184 nan 8.250 nan 0.000 0.425 415 E N 1.896 122.120 120.200 0.040 0.000 2.065 415 E HA -0.201 4.154 4.350 0.008 0.000 0.201 415 E C 0.370 176.986 176.600 0.027 0.000 1.016 415 E CA 1.596 58.017 56.400 0.035 0.000 0.818 415 E CB 0.034 29.747 29.700 0.023 0.000 0.749 415 E HN 0.782 nan 8.360 nan 0.000 0.453 416 E N 0.716 120.928 120.200 0.019 0.000 2.044 416 E HA 0.338 4.693 4.350 0.008 0.000 0.282 416 E C 0.024 176.636 176.600 0.020 0.000 1.031 416 E CA -0.175 56.233 56.400 0.013 0.000 0.824 416 E CB -0.352 29.353 29.700 0.008 0.000 1.076 416 E HN 0.151 nan 8.360 nan 0.000 0.395 417 L N 3.095 124.332 121.223 0.024 0.000 2.416 417 L HA 0.129 4.474 4.340 0.008 0.000 0.243 417 L C 0.490 177.408 176.870 0.079 0.000 1.373 417 L CA -0.057 54.815 54.840 0.054 0.000 1.227 417 L CB -0.011 42.083 42.059 0.059 0.000 1.428 417 L HN 0.528 nan 8.230 nan 0.000 0.425 418 E N 3.791 124.014 120.200 0.039 0.000 2.089 418 E HA 0.256 4.610 4.350 0.008 0.000 0.284 418 E C -2.089 174.518 176.600 0.012 0.000 1.023 418 E CA -1.654 54.768 56.400 0.037 0.000 0.819 418 E CB 1.184 30.896 29.700 0.020 0.000 1.076 418 E HN 0.181 nan 8.360 nan 0.000 0.396 419 P HA 0.282 nan 4.420 nan 0.000 0.286 419 P C -0.220 177.108 177.300 0.047 0.000 1.269 419 P CA -0.203 62.876 63.100 -0.036 0.000 0.787 419 P CB 0.828 32.472 31.700 -0.093 0.000 0.920 420 R N 1.792 122.323 120.500 0.051 0.000 2.856 420 R HA 0.611 4.956 4.340 0.008 0.000 0.258 420 R C -0.526 175.849 176.300 0.125 0.000 1.066 420 R CA -0.787 55.369 56.100 0.093 0.000 1.045 420 R CB 0.289 30.623 30.300 0.056 0.000 1.178 420 R HN 0.404 nan 8.270 nan 0.000 0.499 421 V N 2.011 121.942 119.914 0.028 0.000 2.432 421 V HA 0.261 4.386 4.120 0.008 0.000 0.271 421 V C 0.566 176.611 176.094 -0.081 0.000 1.046 421 V CA 0.122 62.331 62.300 -0.151 0.000 0.945 421 V CB 0.759 32.462 31.823 -0.200 0.000 0.992 421 V HN 0.827 nan 8.190 nan 0.000 0.471 422 F N 4.911 124.721 119.950 -0.232 0.000 2.243 422 F HA 0.348 4.879 4.527 0.008 0.000 0.287 422 F C 1.211 176.861 175.800 -0.250 0.000 1.067 422 F CA 0.480 58.356 58.000 -0.206 0.000 1.304 422 F CB 0.388 39.310 39.000 -0.129 0.000 1.087 422 F HN 0.423 nan 8.300 nan 0.000 0.513 423 R N 0.654 121.105 120.500 -0.082 0.000 2.604 423 R HA 0.290 4.635 4.340 0.008 0.000 0.281 423 R C -1.744 174.471 176.300 -0.142 0.000 1.020 423 R CA -0.470 55.511 56.100 -0.198 0.000 0.899 423 R CB 1.360 31.521 30.300 -0.230 0.000 1.205 423 R HN 0.110 nan 8.270 nan 0.000 0.450 424 E N 4.218 124.343 120.200 -0.125 0.000 2.279 424 E HA 0.224 4.578 4.350 0.008 0.000 0.252 424 E C -1.240 175.349 176.600 -0.019 0.000 0.894 424 E CA -0.711 55.643 56.400 -0.078 0.000 0.785 424 E CB 1.762 31.403 29.700 -0.098 0.000 1.237 424 E HN 0.504 nan 8.360 nan 0.000 0.418 425 V N 2.325 122.256 119.914 0.029 0.000 2.498 425 V HA 0.773 4.898 4.120 0.008 0.000 0.279 425 V C -0.153 175.911 176.094 -0.049 0.000 1.048 425 V CA 0.449 62.790 62.300 0.068 0.000 0.967 425 V CB 0.775 32.710 31.823 0.187 0.000 0.988 425 V HN 0.753 nan 8.190 nan 0.000 0.473 426 T N 4.353 118.881 114.554 -0.043 0.000 2.855 426 T HA 0.691 5.046 4.350 0.008 0.000 0.281 426 T C -0.451 174.172 174.700 -0.128 0.000 1.007 426 T CA -0.650 61.394 62.100 -0.094 0.000 1.009 426 T CB 1.590 70.433 68.868 -0.042 0.000 0.983 426 T HN 0.941 nan 8.240 nan 0.000 0.455 427 V N 5.643 125.447 119.914 -0.185 0.000 2.284 427 V HA 0.285 4.409 4.120 0.008 0.000 0.274 427 V C -0.024 176.050 176.094 -0.033 0.000 1.023 427 V CA -1.056 61.147 62.300 -0.162 0.000 0.808 427 V CB 0.825 32.480 31.823 -0.280 0.000 1.035 427 V HN 0.945 nan 8.190 nan 0.000 0.445 428 K N 3.249 123.652 120.400 0.005 0.000 2.350 428 K HA 0.530 4.855 4.320 0.008 0.000 0.279 428 K C 0.880 177.510 176.600 0.051 0.000 1.027 428 K CA 0.422 56.726 56.287 0.028 0.000 0.969 428 K CB 0.838 33.357 32.500 0.031 0.000 0.954 428 K HN 0.897 nan 8.250 nan 0.000 0.474 429 G N 1.752 110.586 108.800 0.058 0.000 2.284 429 G HA2 -0.141 3.824 3.960 0.008 0.000 0.201 429 G HA3 -0.141 3.824 3.960 0.008 0.000 0.201 429 G C -0.169 174.784 174.900 0.088 0.000 0.998 429 G CA -0.287 44.859 45.100 0.077 0.000 0.651 429 G HN 0.550 nan 8.290 nan 0.000 0.489 430 I N 1.574 122.200 120.570 0.094 0.000 2.436 430 I HA 0.371 4.546 4.170 0.008 0.000 0.289 430 I C -1.356 174.858 176.117 0.161 0.000 1.010 430 I CA -0.687 60.703 61.300 0.150 0.000 1.098 430 I CB 2.020 40.103 38.000 0.139 0.000 1.266 430 I HN -0.008 nan 8.210 nan 0.000 0.434 431 D N 5.399 125.915 120.400 0.194 0.000 2.485 431 D HA 0.376 5.021 4.640 0.008 0.000 0.229 431 D C 0.983 177.383 176.300 0.167 0.000 1.101 431 D CA -0.206 53.855 54.000 0.102 0.000 0.906 431 D CB 1.656 42.446 40.800 -0.018 0.000 1.019 431 D HN 0.644 nan 8.370 nan 0.000 0.516 432 A N 2.613 125.559 122.820 0.211 0.000 2.009 432 A HA -0.248 4.076 4.320 0.008 0.000 0.222 432 A C 2.068 179.751 177.584 0.166 0.000 1.175 432 A CA 2.204 54.393 52.037 0.254 0.000 0.651 432 A CB -0.508 18.587 19.000 0.159 0.000 0.815 432 A HN 0.563 nan 8.150 nan 0.000 0.459 433 S N -1.408 114.328 115.700 0.061 0.000 2.555 433 S HA -0.078 4.396 4.470 0.008 0.000 0.230 433 S C 1.178 175.732 174.600 -0.076 0.000 0.978 433 S CA 1.183 59.387 58.200 0.007 0.000 0.934 433 S CB -0.171 63.027 63.200 -0.002 0.000 0.766 433 S HN 0.484 nan 8.310 nan 0.000 0.533 434 D N -0.159 120.110 120.400 -0.218 0.000 2.367 434 D HA 0.228 4.873 4.640 0.008 0.000 0.207 434 D C -0.549 175.425 176.300 -0.544 0.000 1.034 434 D CA 0.219 53.951 54.000 -0.448 0.000 0.861 434 D CB 0.328 40.720 40.800 -0.681 0.000 0.943 434 D HN 0.491 nan 8.370 nan 0.000 0.515 435 Y N 0.378 120.665 120.300 -0.023 0.000 2.587 435 Y HA 0.443 4.998 4.550 0.008 0.000 0.337 435 Y C 0.323 176.192 175.900 -0.052 0.000 1.065 435 Y CA -1.148 56.925 58.100 -0.046 0.000 1.126 435 Y CB 1.182 39.609 38.460 -0.055 0.000 1.279 435 Y HN -0.307 nan 8.280 nan 0.000 0.489 436 Q N 0.010 119.831 119.800 0.035 0.000 2.315 436 Q HA 0.616 4.961 4.340 0.008 0.000 0.273 436 Q C -1.754 174.172 176.000 -0.122 0.000 1.053 436 Q CA -0.864 54.918 55.803 -0.035 0.000 0.817 436 Q CB 2.210 30.913 28.738 -0.059 0.000 1.326 436 Q HN 0.671 nan 8.270 nan 0.000 0.423 437 T N 2.272 116.825 114.554 -0.002 0.000 2.875 437 T HA 0.579 4.934 4.350 0.008 0.000 0.284 437 T C -0.591 174.169 174.700 0.100 0.000 0.995 437 T CA -0.485 61.638 62.100 0.038 0.000 1.060 437 T CB 1.355 70.330 68.868 0.179 0.000 0.967 437 T HN 0.672 nan 8.240 nan 0.000 0.476 438 V N 1.899 121.889 119.914 0.128 0.000 2.733 438 V HA 0.658 4.783 4.120 0.008 0.000 0.306 438 V C -1.094 175.094 176.094 0.156 0.000 1.084 438 V CA -1.027 61.366 62.300 0.156 0.000 0.905 438 V CB 1.896 33.809 31.823 0.151 0.000 1.010 438 V HN 0.902 nan 8.190 nan 0.000 0.424 439 Q N 4.545 124.397 119.800 0.086 0.000 2.347 439 Q HA 0.736 5.080 4.340 0.008 0.000 0.262 439 Q C -0.912 174.975 176.000 -0.190 0.000 0.980 439 Q CA -0.717 54.977 55.803 -0.182 0.000 0.867 439 Q CB 1.581 30.116 28.738 -0.338 0.000 1.242 439 Q HN 1.004 nan 8.270 nan 0.000 0.453 440 I N -0.181 120.232 120.570 -0.262 0.000 2.797 440 I HA 0.637 4.811 4.170 0.008 0.000 0.307 440 I C -1.317 174.552 176.117 -0.412 0.000 1.033 440 I CA -0.871 60.347 61.300 -0.136 0.000 1.071 440 I CB 1.374 39.396 38.000 0.038 0.000 1.255 440 I HN 0.361 nan 8.210 nan 0.000 0.445 441 F N 3.942 123.851 119.950 -0.068 0.000 2.427 441 F HA 0.555 5.086 4.527 0.007 0.000 0.348 441 F C -0.494 175.241 175.800 -0.108 0.000 1.125 441 F CA -0.561 57.369 58.000 -0.118 0.000 0.989 441 F CB 1.168 40.104 39.000 -0.106 0.000 1.165 441 F HN 0.513 nan 8.300 nan 0.000 0.442 442 Y N 2.710 122.955 120.300 -0.092 0.000 2.457 442 Y HA 0.846 5.400 4.550 0.007 0.000 0.333 442 Y C -3.083 172.833 175.900 0.025 0.000 1.119 442 Y CA -3.882 54.148 58.100 -0.116 0.000 1.143 442 Y CB 0.952 39.172 38.460 -0.400 0.000 1.230 442 Y HN 0.266 nan 8.280 nan 0.000 0.469 443 P HA 0.175 nan 4.420 nan 0.000 0.288 443 P C -0.448 176.947 177.300 0.158 0.000 1.267 443 P CA -0.280 62.866 63.100 0.076 0.000 0.815 443 P CB 2.088 33.850 31.700 0.102 0.000 0.989 444 S N 1.604 117.342 115.700 0.063 0.000 2.623 444 S HA 0.448 4.923 4.470 0.008 0.000 0.278 444 S C 1.958 176.606 174.600 0.080 0.000 1.148 444 S CA 0.314 58.578 58.200 0.108 0.000 1.028 444 S CB -0.085 63.131 63.200 0.027 0.000 1.145 444 S HN 0.424 nan 8.310 nan 0.000 0.523 445 K N 0.482 120.919 120.400 0.062 0.000 2.097 445 K HA -0.113 4.211 4.320 0.008 0.000 0.206 445 K C 1.255 177.865 176.600 0.017 0.000 1.049 445 K CA 2.105 58.416 56.287 0.041 0.000 0.933 445 K CB -1.331 31.188 32.500 0.032 0.000 0.717 445 K HN 0.861 nan 8.250 nan 0.000 0.442 446 D N -3.083 117.315 120.400 -0.003 0.000 2.350 446 D HA 0.202 4.847 4.640 0.008 0.000 0.213 446 D C 1.158 177.452 176.300 -0.010 0.000 1.031 446 D CA 0.870 54.861 54.000 -0.015 0.000 0.861 446 D CB 0.135 40.911 40.800 -0.041 0.000 0.926 446 D HN 0.695 nan 8.370 nan 0.000 0.520 447 G N -0.404 108.397 108.800 0.001 0.000 2.179 447 G HA2 -0.221 3.744 3.960 0.008 0.000 0.220 447 G HA3 -0.221 3.744 3.960 0.008 0.000 0.220 447 G C 0.315 175.212 174.900 -0.006 0.000 0.990 447 G CA 0.102 45.204 45.100 0.004 0.000 0.646 447 G HN 0.424 nan 8.290 nan 0.000 0.517 448 T N 2.046 116.590 114.554 -0.017 0.000 2.913 448 T HA 0.476 4.831 4.350 0.008 0.000 0.297 448 T C 0.265 174.956 174.700 -0.016 0.000 1.029 448 T CA 0.066 62.158 62.100 -0.012 0.000 1.104 448 T CB 1.439 70.287 68.868 -0.034 0.000 0.964 448 T HN 0.172 nan 8.240 nan 0.000 0.532 449 K N 2.909 123.316 120.400 0.011 0.000 2.234 449 K HA 0.384 4.709 4.320 0.008 0.000 0.277 449 K C -0.457 176.168 176.600 0.042 0.000 1.038 449 K CA -0.568 55.710 56.287 -0.016 0.000 0.888 449 K CB 1.035 33.535 32.500 -0.001 0.000 1.091 449 K HN 0.443 nan 8.250 nan 0.000 0.467 450 I N 4.835 125.248 120.570 -0.262 0.000 2.377 450 I HA 0.321 4.495 4.170 0.008 0.000 0.293 450 I C -2.370 173.540 176.117 -0.345 0.000 0.987 450 I CA -3.160 58.003 61.300 -0.227 0.000 1.185 450 I CB 1.084 38.760 38.000 -0.539 0.000 1.341 450 I HN 0.190 nan 8.210 nan 0.000 0.455 451 P HA 0.453 nan 4.420 nan 0.000 0.274 451 P C -0.747 176.404 177.300 -0.248 0.000 1.231 451 P CA -0.533 62.293 63.100 -0.455 0.000 0.790 451 P CB 1.073 32.510 31.700 -0.439 0.000 0.951 452 M N 2.369 121.752 119.600 -0.361 0.000 2.421 452 M HA 0.529 5.014 4.480 0.008 0.000 0.287 452 M C -2.027 174.136 176.300 -0.228 0.000 1.183 452 M CA -0.469 54.756 55.300 -0.125 0.000 0.916 452 M CB 1.573 34.174 32.600 0.002 0.000 1.701 452 M HN 0.070 nan 8.290 nan 0.000 0.470 453 F N 4.647 124.612 119.950 0.024 0.000 2.443 453 F HA 0.677 5.209 4.527 0.008 0.000 0.335 453 F C -0.522 175.224 175.800 -0.090 0.000 1.104 453 F CA -0.646 57.367 58.000 0.022 0.000 1.013 453 F CB 1.452 40.575 39.000 0.206 0.000 1.136 453 F HN 0.380 nan 8.300 nan 0.000 0.470 454 I N 4.604 125.233 120.570 0.098 0.000 2.466 454 I HA 0.432 4.606 4.170 0.008 0.000 0.289 454 I C -1.300 174.732 176.117 -0.141 0.000 1.026 454 I CA -0.982 60.287 61.300 -0.052 0.000 1.078 454 I CB 1.907 39.867 38.000 -0.068 0.000 1.249 454 I HN 0.125 nan 8.210 nan 0.000 0.429 455 V N 5.823 125.611 119.914 -0.209 0.000 2.443 455 V HA 0.494 4.619 4.120 0.008 0.000 0.293 455 V C -0.748 175.285 176.094 -0.101 0.000 1.021 455 V CA -0.475 61.670 62.300 -0.260 0.000 0.848 455 V CB 1.226 32.800 31.823 -0.414 0.000 0.998 455 V HN 0.954 nan 8.190 nan 0.000 0.424 456 H N 2.012 121.083 119.070 0.001 0.000 2.990 456 H HA 0.862 5.423 4.556 0.008 0.000 0.336 456 H C -0.223 175.155 175.328 0.083 0.000 1.306 456 H CA -0.456 55.603 56.048 0.018 0.000 1.118 456 H CB 0.899 30.657 29.762 -0.007 0.000 1.856 456 H HN 0.586 nan 8.280 nan 0.000 0.538 457 K N 1.141 121.713 120.400 0.287 0.000 2.414 457 K HA 0.176 4.501 4.320 0.008 0.000 0.272 457 K C 0.018 176.736 176.600 0.196 0.000 0.993 457 K CA -0.160 56.219 56.287 0.153 0.000 0.964 457 K CB -0.315 32.198 32.500 0.022 0.000 0.925 457 K HN 0.695 nan 8.250 nan 0.000 0.487 458 K N 0.328 120.758 120.400 0.049 0.000 2.379 458 K HA 0.366 4.690 4.320 0.008 0.000 0.284 458 K C 1.131 177.757 176.600 0.042 0.000 1.044 458 K CA 1.360 57.685 56.287 0.063 0.000 0.974 458 K CB 0.594 33.091 32.500 -0.006 0.000 0.962 458 K HN 1.059 nan 8.250 nan 0.000 0.474 459 G N 2.967 111.806 108.800 0.065 0.000 2.175 459 G HA2 -0.254 3.711 3.960 0.008 0.000 0.244 459 G HA3 -0.254 3.711 3.960 0.008 0.000 0.244 459 G C 0.238 175.135 174.900 -0.005 0.000 0.982 459 G CA 0.113 45.227 45.100 0.022 0.000 0.641 459 G HN 0.730 nan 8.290 nan 0.000 0.527 460 I N -0.347 120.199 120.570 -0.040 0.000 2.618 460 I HA 0.548 4.722 4.170 0.008 0.000 0.284 460 I C 0.557 176.628 176.117 -0.076 0.000 1.146 460 I CA -0.360 60.881 61.300 -0.098 0.000 1.425 460 I CB 0.725 38.519 38.000 -0.342 0.000 1.383 460 I HN 0.160 nan 8.210 nan 0.000 0.562 461 K N 7.043 127.465 120.400 0.037 0.000 2.322 461 K HA 0.322 4.647 4.320 0.008 0.000 0.283 461 K C -0.632 176.023 176.600 0.091 0.000 1.042 461 K CA -0.560 55.745 56.287 0.030 0.000 0.958 461 K CB 0.752 33.267 32.500 0.026 0.000 0.984 461 K HN 0.808 nan 8.250 nan 0.000 0.473 462 L N 5.661 126.860 121.223 -0.039 0.000 2.387 462 L HA 0.108 4.453 4.340 0.008 0.000 0.267 462 L C -0.132 176.698 176.870 -0.066 0.000 1.197 462 L CA -0.227 54.560 54.840 -0.088 0.000 1.070 462 L CB -0.177 41.716 42.059 -0.276 0.000 1.349 462 L HN 0.778 nan 8.230 nan 0.000 0.422 463 D N -0.655 119.725 120.400 -0.034 0.000 2.431 463 D HA 0.127 4.772 4.640 0.008 0.000 0.213 463 D C 1.267 177.513 176.300 -0.090 0.000 1.130 463 D CA 0.121 54.074 54.000 -0.079 0.000 0.834 463 D CB 0.685 41.428 40.800 -0.095 0.000 0.985 463 D HN 0.403 nan 8.370 nan 0.000 0.504 464 G N 0.790 109.556 108.800 -0.058 0.000 2.179 464 G HA2 -0.333 3.631 3.960 0.008 0.000 0.257 464 G HA3 -0.333 3.631 3.960 0.008 0.000 0.257 464 G C 0.952 175.805 174.900 -0.079 0.000 1.010 464 G CA 0.759 45.841 45.100 -0.031 0.000 0.736 464 G HN 0.737 nan 8.290 nan 0.000 0.513 465 S N -0.640 114.915 115.700 -0.242 0.000 2.540 465 S HA 0.262 4.736 4.470 0.008 0.000 0.218 465 S C 0.702 175.104 174.600 -0.331 0.000 0.977 465 S CA -0.051 57.965 58.200 -0.306 0.000 0.918 465 S CB 0.094 63.073 63.200 -0.369 0.000 0.806 465 S HN 0.652 nan 8.310 nan 0.000 0.496 466 H N 1.968 121.049 119.070 0.018 0.000 2.479 466 H HA 0.459 5.020 4.556 0.008 0.000 0.335 466 H C -3.017 172.354 175.328 0.071 0.000 1.142 466 H CA -2.323 53.739 56.048 0.023 0.000 1.234 466 H CB 0.614 30.382 29.762 0.009 0.000 1.503 466 H HN 0.164 nan 8.280 nan 0.000 0.510 467 P HA 0.202 nan 4.420 nan 0.000 0.271 467 P C -0.918 176.605 177.300 0.372 0.000 1.216 467 P CA -0.203 63.057 63.100 0.267 0.000 0.776 467 P CB 0.736 32.594 31.700 0.264 0.000 0.881 468 A N 2.967 126.054 122.820 0.444 0.000 2.371 468 A HA 0.635 4.960 4.320 0.008 0.000 0.311 468 A C -1.586 176.295 177.584 0.495 0.000 1.068 468 A CA -0.491 51.818 52.037 0.453 0.000 0.744 468 A CB 0.563 19.724 19.000 0.268 0.000 1.239 468 A HN 0.462 nan 8.150 nan 0.000 0.435 469 F N 3.288 123.444 119.950 0.343 0.000 2.325 469 F HA 0.552 5.084 4.527 0.008 0.000 0.369 469 F C -0.718 175.165 175.800 0.138 0.000 1.095 469 F CA -0.919 57.141 58.000 0.100 0.000 1.082 469 F CB 1.182 40.062 39.000 -0.199 0.000 1.289 469 F HN 0.463 nan 8.300 nan 0.000 0.462 470 L N 7.996 129.146 121.223 -0.121 0.000 2.272 470 L HA 0.411 4.755 4.340 0.008 0.000 0.289 470 L C -1.805 175.088 176.870 0.039 0.000 1.032 470 L CA -0.589 54.239 54.840 -0.020 0.000 0.810 470 L CB 0.624 42.620 42.059 -0.105 0.000 1.205 470 L HN 0.570 nan 8.230 nan 0.000 0.422 471 Y N 4.213 124.579 120.300 0.111 0.000 2.429 471 Y HA 0.814 5.369 4.550 0.008 0.000 0.342 471 Y C 0.077 176.198 175.900 0.368 0.000 1.004 471 Y CA -0.132 58.083 58.100 0.192 0.000 1.075 471 Y CB 1.982 40.573 38.460 0.219 0.000 1.214 471 Y HN 0.724 nan 8.280 nan 0.000 0.455 472 G N 3.347 111.921 108.800 -0.377 0.000 2.673 472 G HA2 0.265 4.230 3.960 0.008 0.000 0.292 472 G HA3 0.265 4.230 3.960 0.008 0.000 0.292 472 G C -2.005 172.577 174.900 -0.531 0.000 1.450 472 G CA -0.454 44.506 45.100 -0.233 0.000 0.837 472 G HN 0.653 nan 8.290 nan 0.000 0.505 473 Y N 0.640 120.728 120.300 -0.353 0.000 3.105 473 Y HA 0.470 5.025 4.550 0.008 0.000 0.216 473 Y C 1.497 177.285 175.900 -0.187 0.000 0.943 473 Y CA 1.538 59.477 58.100 -0.269 0.000 1.535 473 Y CB 0.623 39.016 38.460 -0.111 0.000 1.475 473 Y HN 1.705 nan 8.280 nan 0.000 0.435 474 G N 1.182 110.050 108.800 0.115 0.000 2.587 474 G HA2 0.348 4.313 3.960 0.008 0.000 0.245 474 G HA3 0.348 4.313 3.960 0.008 0.000 0.245 474 G C 0.016 174.873 174.900 -0.071 0.000 0.959 474 G CA 0.427 45.519 45.100 -0.014 0.000 1.268 474 G HN 1.445 nan 8.290 nan 0.000 0.448 475 G N 0.008 108.876 108.800 0.115 0.000 2.353 475 G HA2 0.566 4.531 3.960 0.008 0.000 0.308 475 G HA3 0.566 4.531 3.960 0.008 0.000 0.308 475 G C 0.023 175.073 174.900 0.250 0.000 1.418 475 G CA 0.042 45.166 45.100 0.039 0.000 0.966 475 G HN 1.678 nan 8.290 nan 0.000 0.638 476 F N -0.044 119.912 119.950 0.011 0.000 3.097 476 F HA -0.245 4.287 4.527 0.008 0.000 0.278 476 F C 1.497 177.138 175.800 -0.265 0.000 0.917 476 F CA 1.281 59.208 58.000 -0.121 0.000 0.962 476 F CB -1.250 37.727 39.000 -0.039 0.000 0.964 476 F HN 1.002 nan 8.300 nan 0.000 0.668 477 N N -0.579 117.916 118.700 -0.341 0.000 2.778 477 N HA -0.230 4.515 4.740 0.008 0.000 0.249 477 N C -0.173 175.324 175.510 -0.021 0.000 1.069 477 N CA 1.176 54.089 53.050 -0.228 0.000 0.831 477 N CB -0.648 37.654 38.487 -0.309 0.000 1.142 477 N HN 0.442 nan 8.380 nan 0.000 0.573 478 I N 1.019 121.618 120.570 0.047 0.000 2.471 478 I HA 0.061 4.236 4.170 0.008 0.000 0.286 478 I C 0.761 176.893 176.117 0.025 0.000 1.079 478 I CA 0.169 61.457 61.300 -0.019 0.000 1.398 478 I CB 0.992 38.870 38.000 -0.204 0.000 1.403 478 I HN -0.038 nan 8.210 nan 0.000 0.530 479 S N 6.866 122.568 115.700 0.003 0.000 2.438 479 S HA 0.430 4.904 4.470 0.008 0.000 0.293 479 S C 0.107 174.731 174.600 0.039 0.000 1.141 479 S CA -0.579 57.639 58.200 0.031 0.000 1.080 479 S CB 0.605 63.804 63.200 -0.002 0.000 0.978 479 S HN 0.247 nan 8.310 nan 0.000 0.479 480 I N 5.477 126.110 120.570 0.105 0.000 2.269 480 I HA 0.200 4.375 4.170 0.008 0.000 0.293 480 I C 0.949 177.160 176.117 0.157 0.000 1.106 480 I CA -0.200 61.193 61.300 0.154 0.000 1.248 480 I CB -0.647 37.518 38.000 0.274 0.000 1.444 480 I HN 0.523 nan 8.210 nan 0.000 0.497 481 T N 4.393 118.990 114.554 0.071 0.000 2.952 481 T HA 0.593 4.948 4.350 0.008 0.000 0.286 481 T C -2.631 171.960 174.700 -0.183 0.000 1.024 481 T CA -2.285 59.824 62.100 0.016 0.000 1.029 481 T CB 1.310 70.180 68.868 0.003 0.000 1.094 481 T HN 0.163 nan 8.240 nan 0.000 0.515 482 P HA 0.239 nan 4.420 nan 0.000 0.261 482 P C -0.721 176.190 177.300 -0.648 0.000 1.173 482 P CA 0.326 62.797 63.100 -1.048 0.000 0.760 482 P CB 0.110 31.174 31.700 -1.061 0.000 0.783 483 N N 1.222 119.538 118.700 -0.639 0.000 2.598 483 N HA 0.305 5.050 4.740 0.008 0.000 0.263 483 N C -1.749 173.717 175.510 -0.074 0.000 1.254 483 N CA -0.675 52.229 53.050 -0.244 0.000 0.863 483 N CB 0.761 39.178 38.487 -0.116 0.000 1.586 483 N HN 0.185 nan 8.380 nan 0.000 0.491 484 Y N 1.353 121.596 120.300 -0.095 0.000 2.319 484 Y HA 0.498 5.052 4.550 0.008 0.000 0.328 484 Y C -0.297 175.632 175.900 0.047 0.000 1.133 484 Y CA 0.413 58.505 58.100 -0.013 0.000 1.265 484 Y CB 1.076 39.529 38.460 -0.011 0.000 1.218 484 Y HN 0.361 nan 8.280 nan 0.000 0.508 485 S N 5.157 120.559 115.700 -0.498 0.000 2.385 485 S HA 0.264 4.738 4.470 0.008 0.000 0.191 485 S C 0.251 174.590 174.600 -0.436 0.000 1.196 485 S CA -0.624 57.399 58.200 -0.295 0.000 1.178 485 S CB -0.083 63.027 63.200 -0.150 0.000 1.258 485 S HN 0.615 nan 8.310 nan 0.000 0.430 486 V N 3.737 123.437 119.914 -0.357 0.000 2.278 486 V HA -0.209 3.915 4.120 0.008 0.000 0.251 486 V C 2.819 178.814 176.094 -0.164 0.000 1.062 486 V CA 2.687 64.856 62.300 -0.218 0.000 1.038 486 V CB -1.083 30.825 31.823 0.142 0.000 0.646 486 V HN 0.977 nan 8.190 nan 0.000 0.447 487 S N -0.023 115.626 115.700 -0.085 0.000 2.419 487 S HA -0.249 4.225 4.470 0.008 0.000 0.235 487 S C 2.030 176.549 174.600 -0.136 0.000 1.019 487 S CA 1.529 59.730 58.200 0.000 0.000 0.982 487 S CB -0.456 62.828 63.200 0.140 0.000 0.789 487 S HN 0.597 nan 8.310 nan 0.000 0.490 488 R N 0.248 120.637 120.500 -0.185 0.000 2.112 488 R HA 0.291 4.636 4.340 0.008 0.000 0.216 488 R C 2.276 178.446 176.300 -0.216 0.000 1.080 488 R CA 0.768 56.725 56.100 -0.238 0.000 0.996 488 R CB -0.403 29.787 30.300 -0.184 0.000 0.902 488 R HN 0.421 nan 8.270 nan 0.000 0.449 489 L N 0.676 121.729 121.223 -0.284 0.000 2.201 489 L HA -0.115 4.230 4.340 0.008 0.000 0.212 489 L C 2.233 178.917 176.870 -0.309 0.000 1.105 489 L CA 1.174 55.800 54.840 -0.357 0.000 0.775 489 L CB -0.329 41.459 42.059 -0.451 0.000 0.913 489 L HN 0.204 nan 8.230 nan 0.000 0.440 490 I N -0.923 119.493 120.570 -0.256 0.000 2.439 490 I HA -0.308 3.867 4.170 0.008 0.000 0.251 490 I C 2.435 178.425 176.117 -0.211 0.000 1.139 490 I CA 0.957 62.114 61.300 -0.238 0.000 1.438 490 I CB -0.200 37.636 38.000 -0.274 0.000 1.085 490 I HN 0.144 nan 8.210 nan 0.000 0.427 491 F N 1.432 121.148 119.950 -0.389 0.000 2.102 491 F HA -0.189 4.342 4.527 0.008 0.000 0.298 491 F C 2.213 177.892 175.800 -0.201 0.000 1.105 491 F CA 1.647 59.439 58.000 -0.347 0.000 1.239 491 F CB -0.479 38.224 39.000 -0.494 0.000 0.991 491 F HN -0.198 nan 8.300 nan 0.000 0.474 492 V N 0.565 120.284 119.914 -0.324 0.000 2.548 492 V HA -0.157 3.967 4.120 0.008 0.000 0.249 492 V C 2.370 178.304 176.094 -0.266 0.000 1.055 492 V CA 1.778 63.882 62.300 -0.327 0.000 1.065 492 V CB -0.850 30.862 31.823 -0.185 0.000 0.681 492 V HN 0.231 nan 8.190 nan 0.000 0.462 493 R N 0.641 120.947 120.500 -0.323 0.000 2.060 493 R HA -0.028 4.316 4.340 0.008 0.000 0.218 493 R C 1.844 177.778 176.300 -0.611 0.000 1.200 493 R CA 1.603 57.437 56.100 -0.444 0.000 0.935 493 R CB -0.798 29.100 30.300 -0.670 0.000 0.814 493 R HN 0.543 nan 8.270 nan 0.000 0.460 494 H N 0.020 118.768 119.070 -0.536 0.000 2.708 494 H HA 0.273 4.833 4.556 0.008 0.000 0.309 494 H C 0.276 175.121 175.328 -0.805 0.000 1.084 494 H CA 0.447 55.913 56.048 -0.970 0.000 1.165 494 H CB -0.030 28.557 29.762 -1.958 0.000 1.388 494 H HN 0.327 nan 8.280 nan 0.000 0.553 495 M N -1.675 117.694 119.600 -0.384 0.000 2.309 495 M HA 0.134 4.619 4.480 0.008 0.000 0.438 495 M C 0.997 177.123 176.300 -0.290 0.000 1.004 495 M CA 0.117 55.280 55.300 -0.229 0.000 1.024 495 M CB 1.453 33.988 32.600 -0.108 0.000 2.095 495 M HN 0.321 nan 8.290 nan 0.000 0.701 496 G N 1.963 110.583 108.800 -0.299 0.000 2.379 496 G HA2 -0.207 3.758 3.960 0.008 0.000 0.297 496 G HA3 -0.207 3.758 3.960 0.008 0.000 0.297 496 G C 0.229 174.974 174.900 -0.258 0.000 1.004 496 G CA 0.419 45.390 45.100 -0.215 0.000 0.921 496 G HN 0.596 nan 8.290 nan 0.000 0.511 497 G N -2.126 106.321 108.800 -0.588 0.000 2.552 497 G HA2 0.720 4.684 3.960 0.008 0.000 0.318 497 G HA3 0.720 4.684 3.960 0.008 0.000 0.318 497 G C -0.515 174.232 174.900 -0.255 0.000 1.240 497 G CA -0.309 44.428 45.100 -0.605 0.000 1.002 497 G HN 0.807 nan 8.290 nan 0.000 0.493 498 V N 0.461 120.416 119.914 0.068 0.000 2.459 498 V HA 0.470 4.595 4.120 0.008 0.000 0.295 498 V C -0.017 176.280 176.094 0.339 0.000 1.029 498 V CA -0.671 61.730 62.300 0.168 0.000 0.874 498 V CB 1.374 33.275 31.823 0.129 0.000 0.985 498 V HN 0.693 nan 8.190 nan 0.000 0.438 499 L N 4.685 126.038 121.223 0.217 0.000 2.322 499 L HA 0.952 5.297 4.340 0.008 0.000 0.279 499 L C -0.150 176.773 176.870 0.088 0.000 1.036 499 L CA -0.125 54.849 54.840 0.223 0.000 0.807 499 L CB 1.436 43.541 42.059 0.077 0.000 1.226 499 L HN 0.769 nan 8.230 nan 0.000 0.433 500 A N 4.638 127.551 122.820 0.154 0.000 2.459 500 A HA 0.693 5.018 4.320 0.008 0.000 0.296 500 A C -1.593 176.120 177.584 0.215 0.000 1.039 500 A CA -0.474 51.625 52.037 0.103 0.000 0.698 500 A CB 1.906 20.928 19.000 0.038 0.000 1.261 500 A HN 0.480 nan 8.150 nan 0.000 0.405 501 V N 1.640 121.714 119.914 0.268 0.000 2.407 501 V HA 0.695 4.819 4.120 0.008 0.000 0.291 501 V C 0.382 176.689 176.094 0.355 0.000 1.018 501 V CA -0.268 62.277 62.300 0.408 0.000 0.842 501 V CB 1.355 33.495 31.823 0.529 0.000 0.996 501 V HN 1.326 nan 8.190 nan 0.000 0.426 502 A N 3.560 126.593 122.820 0.354 0.000 2.249 502 A HA 0.586 4.911 4.320 0.008 0.000 0.314 502 A C 0.112 177.912 177.584 0.360 0.000 1.290 502 A CA -0.571 51.670 52.037 0.340 0.000 0.893 502 A CB -0.027 19.181 19.000 0.346 0.000 1.165 502 A HN 0.866 nan 8.150 nan 0.000 0.530 503 N N 2.774 121.655 118.700 0.302 0.000 3.245 503 N HA 0.219 4.963 4.740 0.008 0.000 0.296 503 N C 0.502 176.287 175.510 0.458 0.000 1.254 503 N CA -0.207 53.038 53.050 0.325 0.000 1.190 503 N CB -0.025 38.584 38.487 0.204 0.000 1.460 503 N HN 0.787 nan 8.380 nan 0.000 0.538 504 I N -2.406 118.383 120.570 0.366 0.000 3.246 504 I HA 0.146 4.320 4.170 0.008 0.000 0.280 504 I C 0.648 176.797 176.117 0.052 0.000 1.239 504 I CA -0.608 60.833 61.300 0.235 0.000 1.336 504 I CB 0.690 38.801 38.000 0.184 0.000 1.383 504 I HN 0.148 nan 8.210 nan 0.000 0.617 505 R N 1.301 121.551 120.500 -0.418 0.000 2.827 505 R HA 0.289 4.633 4.340 0.008 0.000 0.269 505 R C 1.070 177.109 176.300 -0.435 0.000 1.048 505 R CA 1.040 56.594 56.100 -0.910 0.000 1.173 505 R CB 0.131 29.868 30.300 -0.939 0.000 1.070 505 R HN 1.080 nan 8.270 nan 0.000 0.498 506 G N -0.338 108.244 108.800 -0.363 0.000 2.238 506 G HA2 -0.200 3.765 3.960 0.008 0.000 0.217 506 G HA3 -0.200 3.765 3.960 0.008 0.000 0.217 506 G C 0.388 175.355 174.900 0.113 0.000 0.996 506 G CA -0.276 44.750 45.100 -0.122 0.000 0.632 506 G HN 0.885 nan 8.290 nan 0.000 0.503 507 G N -0.654 108.263 108.800 0.194 0.000 2.532 507 G HA2 0.609 4.574 3.960 0.008 0.000 0.291 507 G HA3 0.609 4.574 3.960 0.008 0.000 0.291 507 G C 0.790 175.940 174.900 0.417 0.000 1.349 507 G CA 0.045 45.334 45.100 0.315 0.000 1.038 507 G HN 1.320 nan 8.290 nan 0.000 0.518 508 G N -1.304 107.652 108.800 0.261 0.000 4.044 508 G HA2 0.373 4.337 3.960 0.008 0.000 0.297 508 G HA3 0.373 4.337 3.960 0.008 0.000 0.297 508 G C 0.590 175.515 174.900 0.040 0.000 1.101 508 G CA -0.010 45.206 45.100 0.195 0.000 0.884 508 G HN 0.490 nan 8.290 nan 0.000 0.538 509 E N -0.017 120.133 120.200 -0.084 0.000 2.072 509 E HA -0.018 4.337 4.350 0.008 0.000 0.191 509 E C 0.034 176.134 176.600 -0.832 0.000 0.985 509 E CA 0.963 57.055 56.400 -0.513 0.000 0.801 509 E CB -0.048 29.246 29.700 -0.676 0.000 0.750 509 E HN 0.599 nan 8.360 nan 0.000 0.452 510 Y N 0.098 120.086 120.300 -0.521 0.000 2.602 510 Y HA 0.400 4.955 4.550 0.008 0.000 0.373 510 Y C 0.605 176.525 175.900 0.033 0.000 0.960 510 Y CA -0.403 57.509 58.100 -0.313 0.000 1.281 510 Y CB 0.825 38.939 38.460 -0.577 0.000 1.308 510 Y HN 0.105 nan 8.280 nan 0.000 0.595 511 G N 0.841 109.747 108.800 0.176 0.000 2.796 511 G HA2 -0.381 3.583 3.960 0.008 0.000 0.226 511 G HA3 -0.381 3.583 3.960 0.008 0.000 0.226 511 G C 0.585 175.668 174.900 0.305 0.000 1.381 511 G CA 0.265 45.520 45.100 0.258 0.000 0.867 511 G HN 0.490 nan 8.290 nan 0.000 0.552 512 E N -0.672 119.679 120.200 0.252 0.000 2.153 512 E HA -0.111 4.243 4.350 0.008 0.000 0.194 512 E C 2.708 179.439 176.600 0.220 0.000 0.988 512 E CA 2.789 59.336 56.400 0.245 0.000 0.811 512 E CB -0.462 29.318 29.700 0.133 0.000 0.746 512 E HN 1.062 nan 8.360 nan 0.000 0.466 513 T N -2.238 112.431 114.554 0.192 0.000 2.996 513 T HA -0.179 4.176 4.350 0.008 0.000 0.271 513 T C 1.585 176.421 174.700 0.228 0.000 1.126 513 T CA 0.992 63.186 62.100 0.156 0.000 1.103 513 T CB -0.552 68.401 68.868 0.143 0.000 0.870 513 T HN 0.439 nan 8.240 nan 0.000 0.528 514 W N 0.925 122.282 121.300 0.094 0.000 2.704 514 W HA 0.077 4.742 4.660 0.009 0.000 0.266 514 W C 2.042 178.615 176.519 0.089 0.000 1.266 514 W CA 0.494 57.900 57.345 0.101 0.000 1.377 514 W CB -0.152 29.409 29.460 0.168 0.000 1.082 514 W HN 0.500 nan 8.180 nan 0.000 0.608 515 H N 0.979 120.132 119.070 0.137 0.000 2.343 515 H HA -0.078 4.483 4.556 0.008 0.000 0.303 515 H C 1.724 176.979 175.328 -0.122 0.000 1.068 515 H CA 1.367 57.413 56.048 -0.004 0.000 1.359 515 H CB 0.035 29.821 29.762 0.040 0.000 1.402 515 H HN 0.011 nan 8.280 nan 0.000 0.515 516 K N 0.132 120.377 120.400 -0.258 0.000 2.362 516 K HA -0.032 4.293 4.320 0.008 0.000 0.200 516 K C 1.792 178.211 176.600 -0.302 0.000 1.046 516 K CA 0.702 56.778 56.287 -0.352 0.000 0.952 516 K CB 0.124 32.500 32.500 -0.207 0.000 0.753 516 K HN 0.302 nan 8.250 nan 0.000 0.466 517 G N 0.486 109.124 108.800 -0.270 0.000 3.181 517 G HA2 0.074 4.038 3.960 0.008 0.000 0.219 517 G HA3 0.074 4.038 3.960 0.008 0.000 0.219 517 G C 0.578 175.243 174.900 -0.392 0.000 1.182 517 G CA 0.135 45.050 45.100 -0.308 0.000 0.791 517 G HN 0.334 nan 8.290 nan 0.000 0.537 518 G N 0.359 108.916 108.800 -0.405 0.000 5.253 518 G HA2 0.460 4.425 3.960 0.008 0.000 0.238 518 G HA3 0.460 4.425 3.960 0.008 0.000 0.238 518 G C -0.158 174.482 174.900 -0.435 0.000 0.867 518 G CA -0.257 44.580 45.100 -0.438 0.000 0.717 518 G HN 0.488 nan 8.290 nan 0.000 0.405 519 I N -3.663 116.643 120.570 -0.440 0.000 3.095 519 I HA 0.747 4.921 4.170 0.008 0.000 0.310 519 I C 0.980 176.841 176.117 -0.426 0.000 1.196 519 I CA -1.305 59.740 61.300 -0.424 0.000 0.985 519 I CB 1.412 39.110 38.000 -0.502 0.000 1.250 519 I HN 0.042 nan 8.210 nan 0.000 0.446 520 L N 0.580 121.606 121.223 -0.330 0.000 5.323 520 L HA -0.401 3.944 4.340 0.008 0.000 0.053 520 L C 1.870 178.145 176.870 -0.992 0.000 3.097 520 L CA 1.642 56.223 54.840 -0.432 0.000 1.447 520 L CB -1.633 40.181 42.059 -0.408 0.000 2.992 520 L HN 0.987 nan 8.230 nan 0.000 0.968 521 A N -0.735 121.130 122.820 -1.593 0.000 2.167 521 A HA 0.013 4.337 4.320 0.008 0.000 0.214 521 A C 1.216 178.292 177.584 -0.846 0.000 1.151 521 A CA 1.657 52.613 52.037 -1.803 0.000 0.735 521 A CB -0.449 17.705 19.000 -1.411 0.000 0.802 521 A HN 0.650 nan 8.150 nan 0.000 0.467 522 N N -0.753 117.578 118.700 -0.615 0.000 2.238 522 N HA 0.055 4.800 4.740 0.008 0.000 0.222 522 N C 0.992 176.223 175.510 -0.465 0.000 1.133 522 N CA 0.150 52.934 53.050 -0.444 0.000 0.854 522 N CB 0.579 38.840 38.487 -0.376 0.000 1.041 522 N HN 0.332 nan 8.380 nan 0.000 0.510 523 K N 1.420 121.513 120.400 -0.512 0.000 2.211 523 K HA -0.165 4.160 4.320 0.008 0.000 0.204 523 K C 1.906 177.998 176.600 -0.847 0.000 1.047 523 K CA 1.168 57.061 56.287 -0.658 0.000 0.935 523 K CB 0.072 32.181 32.500 -0.651 0.000 0.728 523 K HN 0.017 nan 8.250 nan 0.000 0.452 524 Q N 0.706 120.208 119.800 -0.496 0.000 2.135 524 Q HA -0.136 4.209 4.340 0.008 0.000 0.204 524 Q C 1.419 177.224 176.000 -0.325 0.000 0.981 524 Q CA 1.820 57.474 55.803 -0.248 0.000 0.856 524 Q CB -0.349 28.366 28.738 -0.039 0.000 0.902 524 Q HN 0.369 nan 8.270 nan 0.000 0.425 525 N N -0.464 118.024 118.700 -0.352 0.000 2.132 525 N HA -0.194 4.551 4.740 0.008 0.000 0.191 525 N C 1.674 176.984 175.510 -0.334 0.000 1.015 525 N CA 1.548 54.421 53.050 -0.295 0.000 0.864 525 N CB -0.834 37.461 38.487 -0.321 0.000 1.006 525 N HN 0.354 nan 8.380 nan 0.000 0.430 526 C N 0.347 119.316 119.300 -0.553 0.000 2.413 526 C HA -0.125 4.339 4.460 0.008 0.000 0.277 526 C C 2.538 177.341 174.990 -0.312 0.000 1.228 526 C CA 0.501 59.197 59.018 -0.537 0.000 1.731 526 C CB -1.589 25.654 27.740 -0.829 0.000 2.042 526 C HN 0.405 nan 8.230 nan 0.000 0.468 527 F N 1.452 121.335 119.950 -0.111 0.000 2.134 527 F HA -0.153 4.378 4.527 0.007 0.000 0.299 527 F C 2.228 178.073 175.800 0.074 0.000 1.097 527 F CA 1.378 59.367 58.000 -0.017 0.000 1.264 527 F CB -0.732 38.227 39.000 -0.069 0.000 1.001 527 F HN 0.202 nan 8.300 nan 0.000 0.479 528 D N 0.458 120.960 120.400 0.171 0.000 2.097 528 D HA -0.158 4.486 4.640 0.008 0.000 0.195 528 D C 1.732 178.125 176.300 0.155 0.000 0.989 528 D CA 1.470 55.550 54.000 0.133 0.000 0.827 528 D CB -0.692 40.141 40.800 0.055 0.000 0.966 528 D HN 0.190 nan 8.370 nan 0.000 0.456 529 D N -0.168 120.302 120.400 0.118 0.000 2.106 529 D HA -0.172 4.473 4.640 0.008 0.000 0.191 529 D C 1.824 178.327 176.300 0.339 0.000 0.997 529 D CA 0.620 54.735 54.000 0.192 0.000 0.834 529 D CB -0.574 40.270 40.800 0.074 0.000 0.956 529 D HN 0.145 nan 8.370 nan 0.000 0.448 530 F N 1.291 121.321 119.950 0.134 0.000 2.134 530 F HA -0.156 4.375 4.527 0.007 0.000 0.299 530 F C 2.480 178.371 175.800 0.151 0.000 1.097 530 F CA 1.386 59.467 58.000 0.136 0.000 1.264 530 F CB -0.289 38.767 39.000 0.093 0.000 1.001 530 F HN -0.055 nan 8.300 nan 0.000 0.479 531 Q N -1.025 118.933 119.800 0.264 0.000 2.061 531 Q HA -0.256 4.088 4.340 0.008 0.000 0.204 531 Q C 2.437 178.445 176.000 0.015 0.000 0.984 531 Q CA 2.160 58.062 55.803 0.165 0.000 0.846 531 Q CB -0.675 28.170 28.738 0.178 0.000 0.902 531 Q HN 0.434 nan 8.270 nan 0.000 0.421 532 C N 0.138 119.476 119.300 0.063 0.000 2.411 532 C HA -0.167 4.297 4.460 0.008 0.000 0.279 532 C C 2.787 177.634 174.990 -0.238 0.000 1.288 532 C CA 0.605 59.645 59.018 0.036 0.000 1.764 532 C CB -1.305 26.580 27.740 0.242 0.000 1.974 532 C HN 0.616 nan 8.230 nan 0.000 0.498 533 A N 0.652 123.212 122.820 -0.433 0.000 1.877 533 A HA 0.017 4.342 4.320 0.008 0.000 0.216 533 A C 2.392 179.737 177.584 -0.398 0.000 1.186 533 A CA 2.211 53.758 52.037 -0.817 0.000 0.620 533 A CB -0.971 17.689 19.000 -0.566 0.000 0.822 533 A HN 0.570 nan 8.150 nan 0.000 0.443 534 A N -0.505 122.148 122.820 -0.278 0.000 1.858 534 A HA -0.179 4.146 4.320 0.008 0.000 0.216 534 A C 1.909 179.434 177.584 -0.099 0.000 1.190 534 A CA 1.933 53.883 52.037 -0.146 0.000 0.617 534 A CB -0.687 18.257 19.000 -0.093 0.000 0.827 534 A HN 0.574 nan 8.150 nan 0.000 0.443 535 E N -1.514 118.624 120.200 -0.103 0.000 2.086 535 E HA -0.276 4.079 4.350 0.008 0.000 0.200 535 E C 1.793 178.383 176.600 -0.016 0.000 1.012 535 E CA 1.977 58.341 56.400 -0.061 0.000 0.812 535 E CB -0.405 29.276 29.700 -0.032 0.000 0.743 535 E HN 0.736 nan 8.360 nan 0.000 0.453 536 Y N 0.749 120.964 120.300 -0.141 0.000 2.081 536 Y HA -0.259 4.295 4.550 0.008 0.000 0.280 536 Y C 1.881 177.793 175.900 0.019 0.000 1.163 536 Y CA 1.784 59.834 58.100 -0.083 0.000 1.135 536 Y CB -0.212 38.122 38.460 -0.210 0.000 0.970 536 Y HN 0.015 nan 8.280 nan 0.000 0.498 537 L N -0.492 120.800 121.223 0.115 0.000 2.131 537 L HA -0.230 4.115 4.340 0.008 0.000 0.210 537 L C 2.377 179.304 176.870 0.095 0.000 1.092 537 L CA 1.264 56.206 54.840 0.171 0.000 0.759 537 L CB -0.444 41.688 42.059 0.121 0.000 0.903 537 L HN 0.354 nan 8.230 nan 0.000 0.435 538 I N -0.543 120.031 120.570 0.007 0.000 2.277 538 I HA -0.247 3.928 4.170 0.008 0.000 0.243 538 I C 2.532 178.612 176.117 -0.061 0.000 1.094 538 I CA 1.158 62.446 61.300 -0.020 0.000 1.393 538 I CB -0.075 37.897 38.000 -0.046 0.000 1.078 538 I HN 0.159 nan 8.210 nan 0.000 0.417 539 K N 0.571 120.913 120.400 -0.096 0.000 1.985 539 K HA -0.160 4.164 4.320 0.008 0.000 0.210 539 K C 1.570 178.067 176.600 -0.172 0.000 1.047 539 K CA 1.141 57.356 56.287 -0.120 0.000 0.932 539 K CB -0.181 32.249 32.500 -0.117 0.000 0.716 539 K HN 0.175 nan 8.250 nan 0.000 0.439 540 E N 0.066 120.098 120.200 -0.280 0.000 2.520 540 E HA -0.050 4.304 4.350 0.008 0.000 0.201 540 E C 0.889 177.287 176.600 -0.338 0.000 1.122 540 E CA 0.667 56.857 56.400 -0.350 0.000 0.896 540 E CB -0.299 29.083 29.700 -0.529 0.000 0.891 540 E HN 0.574 nan 8.360 nan 0.000 0.533 541 G N 0.734 109.419 108.800 -0.191 0.000 2.203 541 G HA2 -0.375 3.590 3.960 0.008 0.000 0.263 541 G HA3 -0.375 3.590 3.960 0.008 0.000 0.263 541 G C 0.718 175.565 174.900 -0.088 0.000 1.012 541 G CA 0.803 45.822 45.100 -0.135 0.000 0.749 541 G HN 0.420 nan 8.290 nan 0.000 0.512 542 Y N -0.499 119.787 120.300 -0.024 0.000 2.163 542 Y HA 0.199 4.754 4.550 0.008 0.000 0.288 542 Y C 2.321 178.291 175.900 0.117 0.000 1.136 542 Y CA 2.072 60.190 58.100 0.029 0.000 1.147 542 Y CB 0.272 38.743 38.460 0.018 0.000 0.987 542 Y HN 0.432 nan 8.280 nan 0.000 0.509 543 T N -2.667 112.026 114.554 0.233 0.000 2.587 543 T HA 0.553 4.907 4.350 0.008 0.000 0.282 543 T C -1.290 173.459 174.700 0.083 0.000 1.018 543 T CA -0.618 61.583 62.100 0.168 0.000 1.120 543 T CB 1.254 70.236 68.868 0.189 0.000 1.538 543 T HN -0.109 nan 8.240 nan 0.000 0.480 544 S N 0.947 116.688 115.700 0.069 0.000 2.579 544 S HA 0.512 4.987 4.470 0.008 0.000 0.272 544 S C -2.113 172.504 174.600 0.028 0.000 1.141 544 S CA -1.002 57.215 58.200 0.028 0.000 0.843 544 S CB 2.173 65.381 63.200 0.013 0.000 1.122 544 S HN 0.592 nan 8.310 nan 0.000 0.468 545 P HA -0.131 nan 4.420 nan 0.000 0.217 545 P C 1.239 178.553 177.300 0.022 0.000 1.148 545 P CA 1.585 64.668 63.100 -0.029 0.000 0.828 545 P CB -0.038 31.616 31.700 -0.076 0.000 0.783 546 K N 0.776 121.192 120.400 0.027 0.000 2.155 546 K HA -0.077 4.248 4.320 0.008 0.000 0.203 546 K C 1.844 178.487 176.600 0.072 0.000 1.052 546 K CA 1.268 57.581 56.287 0.044 0.000 0.948 546 K CB -1.057 31.460 32.500 0.028 0.000 0.728 546 K HN 0.417 nan 8.250 nan 0.000 0.448 547 R N -0.258 120.294 120.500 0.087 0.000 2.767 547 R HA 0.421 4.765 4.340 0.008 0.000 0.377 547 R C -0.463 175.943 176.300 0.177 0.000 1.151 547 R CA -0.448 55.728 56.100 0.127 0.000 1.046 547 R CB -0.361 30.008 30.300 0.114 0.000 1.404 547 R HN 0.257 nan 8.270 nan 0.000 0.580 548 L N 0.022 121.346 121.223 0.168 0.000 2.341 548 L HA 0.583 4.928 4.340 0.008 0.000 0.278 548 L C -1.058 175.931 176.870 0.199 0.000 1.005 548 L CA -0.020 54.936 54.840 0.194 0.000 0.818 548 L CB 2.285 44.443 42.059 0.165 0.000 1.259 548 L HN 0.092 nan 8.230 nan 0.000 0.418 549 T N 6.507 121.158 114.554 0.162 0.000 2.824 549 T HA 0.628 4.983 4.350 0.008 0.000 0.282 549 T C -0.279 174.338 174.700 -0.138 0.000 0.993 549 T CA -0.264 61.870 62.100 0.057 0.000 0.967 549 T CB 1.071 69.997 68.868 0.097 0.000 0.960 549 T HN 0.658 nan 8.240 nan 0.000 0.441 550 I N 1.116 121.583 120.570 -0.172 0.000 2.441 550 I HA 0.661 4.836 4.170 0.008 0.000 0.295 550 I C -0.463 175.486 176.117 -0.281 0.000 0.994 550 I CA -0.728 60.436 61.300 -0.226 0.000 1.144 550 I CB 1.777 39.668 38.000 -0.182 0.000 1.314 550 I HN 0.506 nan 8.210 nan 0.000 0.445 551 N N 3.407 121.917 118.700 -0.317 0.000 2.312 551 N HA 0.826 5.570 4.740 0.008 0.000 0.296 551 N C -1.013 174.400 175.510 -0.163 0.000 1.193 551 N CA -0.593 52.340 53.050 -0.194 0.000 0.773 551 N CB 2.635 41.023 38.487 -0.165 0.000 1.435 551 N HN 1.075 nan 8.380 nan 0.000 0.484 552 G N -0.300 108.438 108.800 -0.104 0.000 2.503 552 G HA2 0.457 4.422 3.960 0.008 0.000 0.305 552 G HA3 0.457 4.422 3.960 0.008 0.000 0.305 552 G C -1.383 173.474 174.900 -0.071 0.000 1.575 552 G CA -0.578 44.392 45.100 -0.216 0.000 0.890 552 G HN 0.644 nan 8.290 nan 0.000 0.612 553 G N -0.137 108.672 108.800 0.014 0.000 2.453 553 G HA2 0.745 4.710 3.960 0.008 0.000 0.323 553 G HA3 0.745 4.710 3.960 0.008 0.000 0.323 553 G C 0.487 175.403 174.900 0.027 0.000 1.198 553 G CA 0.880 46.004 45.100 0.039 0.000 0.959 553 G HN 1.824 nan 8.290 nan 0.000 0.482 554 S N -0.299 115.413 115.700 0.019 0.000 4.059 554 S HA -0.344 4.131 4.470 0.008 0.000 0.624 554 S C 2.049 176.519 174.600 -0.216 0.000 2.019 554 S CA 1.232 59.433 58.200 0.002 0.000 4.197 554 S CB -1.282 62.002 63.200 0.141 0.000 0.215 554 S HN 1.028 nan 8.310 nan 0.000 0.609 555 N N 1.796 120.266 118.700 -0.383 0.000 2.364 555 N HA -0.095 4.650 4.740 0.008 0.000 0.183 555 N C 1.587 176.736 175.510 -0.601 0.000 1.022 555 N CA 1.596 54.354 53.050 -0.487 0.000 0.883 555 N CB -0.776 37.381 38.487 -0.550 0.000 0.965 555 N HN 0.599 nan 8.380 nan 0.000 0.438 556 G N -0.275 108.133 108.800 -0.655 0.000 2.464 556 G HA2 -0.047 3.918 3.960 0.008 0.000 0.217 556 G HA3 -0.047 3.918 3.960 0.008 0.000 0.217 556 G C 1.444 176.131 174.900 -0.354 0.000 1.138 556 G CA 0.643 45.447 45.100 -0.494 0.000 0.793 556 G HN 0.400 nan 8.290 nan 0.000 0.539 557 G N 0.860 109.508 108.800 -0.253 0.000 2.448 557 G HA2 -0.039 3.926 3.960 0.008 0.000 0.218 557 G HA3 -0.039 3.926 3.960 0.008 0.000 0.218 557 G C 1.676 176.433 174.900 -0.238 0.000 1.135 557 G CA 0.877 45.855 45.100 -0.204 0.000 0.784 557 G HN 0.409 nan 8.290 nan 0.000 0.543 558 L N 0.436 121.507 121.223 -0.254 0.000 2.093 558 L HA 0.123 4.467 4.340 0.008 0.000 0.208 558 L C 2.422 179.184 176.870 -0.180 0.000 1.085 558 L CA 1.522 56.221 54.840 -0.236 0.000 0.755 558 L CB -0.517 41.413 42.059 -0.215 0.000 0.904 558 L HN 0.185 nan 8.230 nan 0.000 0.435 559 L N -0.351 120.757 121.223 -0.192 0.000 1.976 559 L HA -0.133 4.212 4.340 0.008 0.000 0.209 559 L C 2.525 179.248 176.870 -0.245 0.000 1.071 559 L CA 2.435 57.181 54.840 -0.157 0.000 0.746 559 L CB -0.934 40.870 42.059 -0.426 0.000 0.890 559 L HN 0.277 nan 8.230 nan 0.000 0.432 560 V N -1.977 117.740 119.914 -0.328 0.000 2.515 560 V HA -0.100 4.024 4.120 0.008 0.000 0.250 560 V C 2.557 178.523 176.094 -0.213 0.000 1.058 560 V CA 1.412 63.538 62.300 -0.290 0.000 1.064 560 V CB -2.001 29.658 31.823 -0.272 0.000 0.675 560 V HN 0.509 nan 8.190 nan 0.000 0.461 561 A N 1.051 123.757 122.820 -0.189 0.000 1.902 561 A HA -0.142 4.183 4.320 0.008 0.000 0.217 561 A C 2.356 179.868 177.584 -0.120 0.000 1.181 561 A CA 2.638 54.597 52.037 -0.130 0.000 0.623 561 A CB -1.252 17.558 19.000 -0.317 0.000 0.818 561 A HN 0.583 nan 8.150 nan 0.000 0.443 562 T N -1.122 113.283 114.554 -0.248 0.000 2.812 562 T HA -0.145 4.209 4.350 0.008 0.000 0.264 562 T C 1.795 176.358 174.700 -0.229 0.000 1.042 562 T CA 1.372 63.268 62.100 -0.339 0.000 1.140 562 T CB -0.682 67.666 68.868 -0.866 0.000 0.870 562 T HN 0.503 nan 8.240 nan 0.000 0.445 563 C N 1.617 120.814 119.300 -0.171 0.000 2.413 563 C HA 0.158 4.623 4.460 0.008 0.000 0.292 563 C C 2.982 178.056 174.990 0.141 0.000 1.435 563 C CA 0.385 59.425 59.018 0.038 0.000 1.791 563 C CB -1.551 26.228 27.740 0.065 0.000 1.784 563 C HN 0.654 nan 8.230 nan 0.000 0.548 564 A N 0.451 123.266 122.820 -0.009 0.000 1.924 564 A HA 0.004 4.329 4.320 0.008 0.000 0.211 564 A C 1.890 179.395 177.584 -0.131 0.000 1.198 564 A CA 0.856 52.888 52.037 -0.008 0.000 0.657 564 A CB -0.421 18.579 19.000 -0.001 0.000 0.852 564 A HN 0.510 nan 8.150 nan 0.000 0.454 565 N N 0.132 118.830 118.700 -0.005 0.000 2.381 565 N HA -0.102 4.643 4.740 0.008 0.000 0.182 565 N C 1.645 177.159 175.510 0.007 0.000 1.025 565 N CA 1.221 54.312 53.050 0.068 0.000 0.888 565 N CB -0.184 38.383 38.487 0.132 0.000 0.965 565 N HN 0.658 nan 8.380 nan 0.000 0.438 566 Q N -0.693 119.100 119.800 -0.013 0.000 2.392 566 Q HA 0.235 4.580 4.340 0.008 0.000 0.219 566 Q C -0.106 175.898 176.000 0.006 0.000 0.895 566 Q CA 0.415 56.218 55.803 0.001 0.000 0.929 566 Q CB 0.934 29.667 28.738 -0.008 0.000 1.077 566 Q HN 0.075 nan 8.270 nan 0.000 0.532 567 R N 0.638 121.152 120.500 0.023 0.000 2.837 567 R HA 0.165 4.510 4.340 0.008 0.000 0.245 567 R C -2.495 173.778 176.300 -0.045 0.000 1.712 567 R CA -0.895 55.187 56.100 -0.031 0.000 1.539 567 R CB 1.141 31.408 30.300 -0.056 0.000 1.490 567 R HN 0.019 nan 8.270 nan 0.000 0.667 568 P HA -0.085 nan 4.420 nan 0.000 0.242 568 P C 0.439 177.683 177.300 -0.094 0.000 1.197 568 P CA 0.892 63.905 63.100 -0.146 0.000 0.765 568 P CB 0.271 31.693 31.700 -0.464 0.000 0.936 569 D N -0.891 119.431 120.400 -0.130 0.000 2.350 569 D HA -0.031 4.613 4.640 0.008 0.000 0.213 569 D C 1.572 177.748 176.300 -0.207 0.000 1.031 569 D CA 0.006 53.933 54.000 -0.121 0.000 0.861 569 D CB -0.315 40.428 40.800 -0.095 0.000 0.926 569 D HN 0.118 nan 8.370 nan 0.000 0.520 570 L N -0.486 120.490 121.223 -0.413 0.000 2.477 570 L HA 0.296 4.641 4.340 0.008 0.000 0.220 570 L C -0.364 176.041 176.870 -0.776 0.000 1.106 570 L CA 0.475 54.899 54.840 -0.693 0.000 0.851 570 L CB 0.013 41.444 42.059 -1.046 0.000 0.994 570 L HN -0.171 nan 8.230 nan 0.000 0.462 571 F N -2.313 117.623 119.950 -0.023 0.000 2.546 571 F HA 0.568 5.099 4.527 0.007 0.000 0.320 571 F C 1.254 177.060 175.800 0.011 0.000 1.076 571 F CA -0.464 57.534 58.000 -0.004 0.000 0.928 571 F CB 1.465 40.465 39.000 0.001 0.000 1.189 571 F HN -0.273 nan 8.300 nan 0.000 0.465 572 G N -0.422 108.508 108.800 0.217 0.000 2.673 572 G HA2 0.129 4.094 3.960 0.008 0.000 0.208 572 G HA3 0.129 4.094 3.960 0.008 0.000 0.208 572 G C -0.500 174.488 174.900 0.146 0.000 1.128 572 G CA 0.272 45.458 45.100 0.142 0.000 0.805 572 G HN 0.630 nan 8.290 nan 0.000 0.526 573 C N -0.174 119.227 119.300 0.169 0.000 2.898 573 C HA 0.801 5.265 4.460 0.008 0.000 0.304 573 C C -1.304 173.773 174.990 0.146 0.000 1.237 573 C CA -0.525 58.592 59.018 0.165 0.000 1.529 573 C CB 1.427 29.253 27.740 0.144 0.000 2.021 573 C HN 0.100 nan 8.230 nan 0.000 0.474 574 V N 5.051 125.074 119.914 0.181 0.000 2.711 574 V HA 0.482 4.607 4.120 0.008 0.000 0.304 574 V C -0.923 175.219 176.094 0.081 0.000 1.097 574 V CA -0.171 62.165 62.300 0.061 0.000 0.906 574 V CB 1.768 33.605 31.823 0.024 0.000 1.015 574 V HN 0.726 nan 8.190 nan 0.000 0.427 575 I N 4.271 124.839 120.570 -0.004 0.000 2.437 575 I HA 0.685 4.860 4.170 0.008 0.000 0.279 575 I C 0.313 176.396 176.117 -0.056 0.000 1.028 575 I CA -0.294 60.984 61.300 -0.037 0.000 1.142 575 I CB 1.724 39.707 38.000 -0.029 0.000 1.266 575 I HN 0.694 nan 8.210 nan 0.000 0.461 576 A N 6.372 129.163 122.820 -0.048 0.000 2.260 576 A HA 0.611 4.936 4.320 0.008 0.000 0.314 576 A C -0.402 177.165 177.584 -0.028 0.000 1.257 576 A CA -0.412 51.595 52.037 -0.049 0.000 0.871 576 A CB 0.513 19.491 19.000 -0.036 0.000 1.166 576 A HN 0.678 nan 8.150 nan 0.000 0.522 577 Q N 1.299 121.088 119.800 -0.019 0.000 2.257 577 Q HA 0.435 4.780 4.340 0.008 0.000 0.255 577 Q C 0.293 176.307 176.000 0.023 0.000 0.920 577 Q CA -0.475 55.333 55.803 0.008 0.000 0.927 577 Q CB 1.871 30.623 28.738 0.024 0.000 1.229 577 Q HN 1.421 nan 8.270 nan 0.000 0.433 578 V N 0.764 120.712 119.914 0.056 0.000 5.767 578 V HA -0.229 3.895 4.120 0.008 0.000 0.141 578 V C 0.079 176.215 176.094 0.071 0.000 0.729 578 V CA 0.942 63.308 62.300 0.110 0.000 0.497 578 V CB -1.953 30.013 31.823 0.237 0.000 0.230 578 V HN 0.770 nan 8.190 nan 0.000 0.365 579 G N 2.253 111.048 108.800 -0.008 0.000 2.471 579 G HA2 0.650 4.615 3.960 0.008 0.000 0.332 579 G HA3 0.650 4.615 3.960 0.008 0.000 0.332 579 G C -0.592 174.186 174.900 -0.203 0.000 1.176 579 G CA -0.662 44.372 45.100 -0.109 0.000 0.949 579 G HN 1.058 nan 8.290 nan 0.000 0.488 580 V N 2.222 121.944 119.914 -0.320 0.000 2.385 580 V HA 0.199 4.324 4.120 0.008 0.000 0.269 580 V C 0.429 176.278 176.094 -0.408 0.000 1.043 580 V CA -0.292 61.689 62.300 -0.532 0.000 0.906 580 V CB 1.377 32.942 31.823 -0.431 0.000 0.995 580 V HN 0.715 nan 8.190 nan 0.000 0.467 581 M N 1.449 120.879 119.600 -0.284 0.000 2.564 581 M HA 0.284 4.768 4.480 0.008 0.000 0.254 581 M C 0.573 176.892 176.300 0.030 0.000 1.299 581 M CA 0.328 55.498 55.300 -0.216 0.000 1.143 581 M CB -0.172 32.222 32.600 -0.343 0.000 1.427 581 M HN 0.504 nan 8.290 nan 0.000 0.538 582 D N 1.940 122.602 120.400 0.437 0.000 2.468 582 D HA 0.197 4.842 4.640 0.008 0.000 0.218 582 D C 0.775 177.346 176.300 0.453 0.000 1.155 582 D CA 0.014 54.262 54.000 0.413 0.000 0.924 582 D CB 0.737 41.735 40.800 0.330 0.000 1.029 582 D HN -0.038 nan 8.370 nan 0.000 0.515 583 M N 2.783 122.531 119.600 0.245 0.000 2.630 583 M HA 0.007 4.492 4.480 0.008 0.000 0.254 583 M C 1.552 178.067 176.300 0.360 0.000 1.092 583 M CA 0.420 55.833 55.300 0.188 0.000 1.087 583 M CB -0.184 32.288 32.600 -0.215 0.000 1.453 583 M HN 0.458 nan 8.290 nan 0.000 0.509 584 L N 0.055 121.417 121.223 0.231 0.000 2.202 584 L HA -0.098 4.247 4.340 0.008 0.000 0.205 584 L C 1.067 178.043 176.870 0.178 0.000 1.083 584 L CA 0.976 55.873 54.840 0.096 0.000 0.790 584 L CB -0.063 41.874 42.059 -0.204 0.000 0.942 584 L HN 0.328 nan 8.230 nan 0.000 0.452 585 K N -0.849 119.615 120.400 0.107 0.000 2.706 585 K HA 0.137 4.462 4.320 0.008 0.000 0.203 585 K C 1.010 177.342 176.600 -0.445 0.000 1.102 585 K CA -0.265 55.834 56.287 -0.313 0.000 1.058 585 K CB -0.151 32.227 32.500 -0.203 0.000 0.779 585 K HN 0.022 nan 8.250 nan 0.000 0.483 586 F N 1.516 121.487 119.950 0.035 0.000 2.269 586 F HA -0.154 4.377 4.527 0.007 0.000 0.301 586 F C 1.953 177.747 175.800 -0.010 0.000 1.082 586 F CA 0.875 59.029 58.000 0.257 0.000 1.360 586 F CB -0.710 38.583 39.000 0.487 0.000 1.041 586 F HN 0.227 nan 8.300 nan 0.000 0.512 587 H N 0.019 118.526 119.070 -0.939 0.000 2.547 587 H HA 0.249 4.810 4.556 0.008 0.000 0.266 587 H C 0.922 175.984 175.328 -0.444 0.000 0.988 587 H CA 0.397 56.028 56.048 -0.696 0.000 1.147 587 H CB -0.418 28.863 29.762 -0.803 0.000 1.365 587 H HN 0.411 nan 8.280 nan 0.000 0.589 588 K N 0.322 120.163 120.400 -0.931 0.000 2.379 588 K HA 0.119 4.444 4.320 0.008 0.000 0.194 588 K C -0.489 175.734 176.600 -0.629 0.000 1.031 588 K CA 0.124 55.928 56.287 -0.804 0.000 1.037 588 K CB 0.465 32.329 32.500 -1.061 0.000 0.824 588 K HN 0.264 nan 8.250 nan 0.000 0.516 589 Y N 0.699 120.924 120.300 -0.124 0.000 2.446 589 Y HA 0.050 4.605 4.550 0.008 0.000 0.338 589 Y C 1.507 177.356 175.900 -0.084 0.000 1.055 589 Y CA -0.887 57.169 58.100 -0.073 0.000 1.101 589 Y CB 1.337 39.768 38.460 -0.048 0.000 1.221 589 Y HN 0.137 nan 8.280 nan 0.000 0.460 590 T N -0.557 114.065 114.554 0.113 0.000 2.292 590 T HA -0.400 3.954 4.350 0.008 0.000 0.086 590 T C 0.679 175.344 174.700 -0.059 0.000 1.737 590 T CA 1.707 63.813 62.100 0.011 0.000 0.723 590 T CB -0.980 67.886 68.868 -0.003 0.000 0.810 590 T HN 0.623 nan 8.240 nan 0.000 0.390 591 I N 2.405 122.882 120.570 -0.156 0.000 3.812 591 I HA 0.445 4.620 4.170 0.008 0.000 0.319 591 I C 2.023 177.568 176.117 -0.953 0.000 1.353 591 I CA 0.702 61.760 61.300 -0.403 0.000 1.170 591 I CB -0.719 37.205 38.000 -0.127 0.000 1.057 591 I HN 0.721 nan 8.210 nan 0.000 0.411 592 G N 0.347 108.595 108.800 -0.920 0.000 2.471 592 G HA2 -0.241 3.724 3.960 0.008 0.000 0.219 592 G HA3 -0.241 3.724 3.960 0.008 0.000 0.219 592 G C 1.559 176.005 174.900 -0.757 0.000 1.125 592 G CA 0.936 45.214 45.100 -1.370 0.000 0.775 592 G HN 0.671 nan 8.290 nan 0.000 0.548 593 H N 0.095 118.952 119.070 -0.356 0.000 2.421 593 H HA 0.120 4.680 4.556 0.008 0.000 0.298 593 H C 2.525 177.807 175.328 -0.077 0.000 1.087 593 H CA 1.018 56.981 56.048 -0.141 0.000 1.330 593 H CB -0.705 28.997 29.762 -0.100 0.000 1.388 593 H HN 0.288 nan 8.280 nan 0.000 0.526 594 A N 1.656 124.118 122.820 -0.597 0.000 2.076 594 A HA -0.150 4.175 4.320 0.008 0.000 0.220 594 A C 1.549 179.240 177.584 0.178 0.000 1.160 594 A CA 1.112 53.022 52.037 -0.212 0.000 0.653 594 A CB -0.928 17.872 19.000 -0.334 0.000 0.801 594 A HN 0.559 nan 8.150 nan 0.000 0.455 595 W N 0.466 121.889 121.300 0.205 0.000 3.256 595 W HA 0.101 4.765 4.660 0.007 0.000 0.269 595 W C 1.888 178.557 176.519 0.252 0.000 1.310 595 W CA 0.735 58.258 57.345 0.296 0.000 1.673 595 W CB -1.881 27.770 29.460 0.318 0.000 1.115 595 W HN 0.509 nan 8.180 nan 0.000 0.686 596 T N -1.811 113.049 114.554 0.511 0.000 2.929 596 T HA -0.210 4.144 4.350 0.008 0.000 0.271 596 T C 1.694 176.549 174.700 0.258 0.000 1.085 596 T CA 2.033 64.409 62.100 0.459 0.000 1.125 596 T CB -0.829 68.223 68.868 0.307 0.000 0.874 596 T HN 0.159 nan 8.240 nan 0.000 0.494 597 T N -1.381 113.269 114.554 0.161 0.000 3.072 597 T HA 0.030 4.385 4.350 0.008 0.000 0.266 597 T C 1.273 175.927 174.700 -0.075 0.000 1.127 597 T CA 1.183 63.318 62.100 0.057 0.000 1.107 597 T CB -0.269 68.626 68.868 0.044 0.000 0.910 597 T HN 0.407 nan 8.240 nan 0.000 0.513 598 D N -0.810 119.457 120.400 -0.221 0.000 2.470 598 D HA 0.249 4.894 4.640 0.008 0.000 0.238 598 D C 1.193 177.311 176.300 -0.303 0.000 1.054 598 D CA 0.080 53.772 54.000 -0.513 0.000 0.896 598 D CB 0.380 40.395 40.800 -1.309 0.000 1.118 598 D HN 0.540 nan 8.370 nan 0.000 0.497 599 Y N -0.487 119.812 120.300 -0.003 0.000 2.559 599 Y HA 0.415 4.970 4.550 0.008 0.000 0.279 599 Y C 1.396 177.428 175.900 0.219 0.000 1.117 599 Y CA -0.093 58.060 58.100 0.089 0.000 1.263 599 Y CB 1.034 39.496 38.460 0.004 0.000 1.230 599 Y HN 0.002 nan 8.280 nan 0.000 0.528 600 G N -0.102 108.946 108.800 0.412 0.000 2.409 600 G HA2 -0.107 3.857 3.960 0.008 0.000 0.421 600 G HA3 -0.107 3.857 3.960 0.008 0.000 0.421 600 G C -1.831 173.399 174.900 0.550 0.000 1.259 600 G CA -0.803 44.450 45.100 0.255 0.000 1.011 600 G HN 0.275 nan 8.290 nan 0.000 0.497 601 C N 0.359 120.036 119.300 0.628 0.000 2.446 601 C HA 0.733 5.198 4.460 0.008 0.000 0.329 601 C C 2.092 177.160 174.990 0.130 0.000 1.166 601 C CA 0.754 59.880 59.018 0.180 0.000 1.341 601 C CB 0.560 28.257 27.740 -0.072 0.000 1.970 601 C HN 2.127 nan 8.230 nan 0.000 0.452 602 S N 2.346 118.133 115.700 0.146 0.000 2.420 602 S HA -0.193 4.282 4.470 0.008 0.000 0.237 602 S C 0.942 175.693 174.600 0.252 0.000 1.023 602 S CA 2.302 60.667 58.200 0.274 0.000 0.991 602 S CB -0.362 63.039 63.200 0.336 0.000 0.792 602 S HN 0.879 nan 8.310 nan 0.000 0.488 603 D N 1.657 122.094 120.400 0.060 0.000 2.354 603 D HA 0.031 4.676 4.640 0.008 0.000 0.216 603 D C 0.849 177.213 176.300 0.107 0.000 0.970 603 D CA 1.101 55.123 54.000 0.035 0.000 0.905 603 D CB -0.167 40.581 40.800 -0.087 0.000 0.903 603 D HN 0.557 nan 8.370 nan 0.000 0.508 604 S N -0.050 115.659 115.700 0.014 0.000 2.437 604 S HA 0.178 4.653 4.470 0.008 0.000 0.305 604 S C 0.981 175.352 174.600 -0.382 0.000 1.109 604 S CA -0.915 57.181 58.200 -0.174 0.000 1.099 604 S CB 1.933 64.827 63.200 -0.511 0.000 1.004 604 S HN -0.087 nan 8.310 nan 0.000 0.475 605 K N 2.951 122.945 120.400 -0.677 0.000 2.074 605 K HA -0.234 4.091 4.320 0.008 0.000 0.209 605 K C 1.923 178.224 176.600 -0.498 0.000 1.048 605 K CA 2.062 57.699 56.287 -1.082 0.000 0.926 605 K CB -0.293 31.899 32.500 -0.514 0.000 0.713 605 K HN 0.913 nan 8.250 nan 0.000 0.444 606 Q N -0.383 119.187 119.800 -0.384 0.000 2.079 606 Q HA -0.175 4.170 4.340 0.008 0.000 0.200 606 Q C 1.846 177.423 176.000 -0.704 0.000 0.974 606 Q CA 1.408 56.985 55.803 -0.376 0.000 0.840 606 Q CB -0.129 28.458 28.738 -0.252 0.000 0.898 606 Q HN 0.591 nan 8.270 nan 0.000 0.430 607 H N -1.046 117.511 119.070 -0.855 0.000 2.389 607 H HA -0.130 4.430 4.556 0.007 0.000 0.299 607 H C 1.911 176.918 175.328 -0.536 0.000 1.081 607 H CA 0.819 56.245 56.048 -1.035 0.000 1.345 607 H CB -0.025 29.459 29.762 -0.462 0.000 1.393 607 H HN 0.291 nan 8.280 nan 0.000 0.520 608 F N 2.554 122.307 119.950 -0.328 0.000 2.120 608 F HA -0.237 4.293 4.527 0.006 0.000 0.300 608 F C 2.210 177.847 175.800 -0.271 0.000 1.095 608 F CA 1.372 59.223 58.000 -0.248 0.000 1.249 608 F CB -0.140 38.738 39.000 -0.202 0.000 0.995 608 F HN 0.071 nan 8.300 nan 0.000 0.480 609 E N -0.533 119.456 120.200 -0.351 0.000 2.209 609 E HA -0.232 4.123 4.350 0.008 0.000 0.196 609 E C 2.164 178.714 176.600 -0.084 0.000 0.993 609 E CA 1.376 57.599 56.400 -0.295 0.000 0.819 609 E CB -0.616 28.998 29.700 -0.142 0.000 0.745 609 E HN 0.562 nan 8.360 nan 0.000 0.477 610 W N 0.609 121.857 121.300 -0.085 0.000 2.480 610 W HA 0.105 4.768 4.660 0.006 0.000 0.299 610 W C 2.262 178.755 176.519 -0.044 0.000 1.187 610 W CA 0.005 57.360 57.345 0.017 0.000 1.347 610 W CB -1.253 28.260 29.460 0.088 0.000 1.121 610 W HN 0.013 nan 8.180 nan 0.000 0.533 611 L N 0.088 121.309 121.223 -0.003 0.000 2.046 611 L HA -0.200 4.145 4.340 0.008 0.000 0.208 611 L C 2.376 178.889 176.870 -0.595 0.000 1.077 611 L CA 0.972 55.553 54.840 -0.432 0.000 0.747 611 L CB -1.058 40.875 42.059 -0.210 0.000 0.896 611 L HN -0.143 nan 8.230 nan 0.000 0.432 612 I N -0.002 120.183 120.570 -0.642 0.000 2.614 612 I HA -0.218 3.957 4.170 0.008 0.000 0.258 612 I C 2.275 178.181 176.117 -0.352 0.000 1.189 612 I CA 1.456 62.363 61.300 -0.656 0.000 1.462 612 I CB -0.464 36.911 38.000 -1.041 0.000 1.092 612 I HN 0.123 nan 8.210 nan 0.000 0.442 613 K N -0.554 119.711 120.400 -0.226 0.000 2.167 613 K HA -0.111 4.214 4.320 0.008 0.000 0.203 613 K C 1.503 178.126 176.600 0.038 0.000 1.052 613 K CA 1.686 57.948 56.287 -0.042 0.000 0.956 613 K CB -0.086 32.457 32.500 0.071 0.000 0.735 613 K HN 0.613 nan 8.250 nan 0.000 0.451 614 Y N -2.169 118.096 120.300 -0.059 0.000 2.453 614 Y HA 0.322 4.877 4.550 0.007 0.000 0.247 614 Y C 0.522 176.339 175.900 -0.137 0.000 1.124 614 Y CA -0.743 57.285 58.100 -0.121 0.000 1.243 614 Y CB -0.019 38.377 38.460 -0.107 0.000 1.213 614 Y HN -0.272 nan 8.280 nan 0.000 0.523 615 S N 4.005 119.448 115.700 -0.428 0.000 2.737 615 S HA 0.018 4.493 4.470 0.008 0.000 0.315 615 S C -1.358 173.212 174.600 -0.050 0.000 1.236 615 S CA -0.787 57.269 58.200 -0.240 0.000 1.093 615 S CB 0.490 63.629 63.200 -0.100 0.000 0.832 615 S HN 0.240 nan 8.310 nan 0.000 0.507 616 P HA -0.146 nan 4.420 nan 0.000 0.215 616 P C 1.590 178.892 177.300 0.003 0.000 1.157 616 P CA 0.573 63.572 63.100 -0.167 0.000 0.874 616 P CB 0.029 31.402 31.700 -0.546 0.000 0.790 617 L N -0.783 120.398 121.223 -0.070 0.000 2.046 617 L HA -0.158 4.187 4.340 0.008 0.000 0.208 617 L C 1.361 178.103 176.870 -0.212 0.000 1.077 617 L CA 2.063 56.868 54.840 -0.059 0.000 0.747 617 L CB -1.558 40.310 42.059 -0.317 0.000 0.896 617 L HN 0.104 nan 8.230 nan 0.000 0.432 618 H N -1.573 117.534 119.070 0.062 0.000 2.537 618 H HA 0.317 4.878 4.556 0.008 0.000 0.295 618 H C 0.777 176.125 175.328 0.032 0.000 1.054 618 H CA 0.146 56.217 56.048 0.038 0.000 1.156 618 H CB -0.272 29.480 29.762 -0.017 0.000 1.468 618 H HN 0.313 nan 8.280 nan 0.000 0.551 619 N N 0.002 118.781 118.700 0.132 0.000 2.116 619 N HA 0.054 4.799 4.740 0.008 0.000 0.230 619 N C -0.497 175.101 175.510 0.148 0.000 1.326 619 N CA 0.108 53.227 53.050 0.116 0.000 0.867 619 N CB 1.699 40.232 38.487 0.078 0.000 1.174 619 N HN 0.025 nan 8.380 nan 0.000 0.506 620 V N 2.051 122.060 119.914 0.158 0.000 2.599 620 V HA 0.046 4.171 4.120 0.008 0.000 0.300 620 V C 0.387 176.539 176.094 0.097 0.000 1.034 620 V CA 0.699 63.082 62.300 0.139 0.000 1.115 620 V CB 0.728 32.553 31.823 0.004 0.000 0.934 620 V HN 0.145 nan 8.190 nan 0.000 0.485 621 K N 4.991 125.477 120.400 0.143 0.000 2.557 621 K HA 0.403 4.727 4.320 0.008 0.000 0.257 621 K C -1.300 175.402 176.600 0.171 0.000 0.933 621 K CA -0.845 55.513 56.287 0.119 0.000 0.820 621 K CB 1.585 34.162 32.500 0.130 0.000 1.330 621 K HN 0.558 nan 8.250 nan 0.000 0.432 622 L N 5.316 126.587 121.223 0.079 0.000 2.462 622 L HA 0.209 4.554 4.340 0.008 0.000 0.272 622 L C -1.910 175.044 176.870 0.139 0.000 1.166 622 L CA -1.504 53.392 54.840 0.094 0.000 0.880 622 L CB 0.616 42.691 42.059 0.027 0.000 1.142 622 L HN 0.613 nan 8.230 nan 0.000 0.473 623 P HA -0.032 nan 4.420 nan 0.000 0.265 623 P C 0.168 177.513 177.300 0.075 0.000 1.187 623 P CA 0.154 63.325 63.100 0.119 0.000 0.766 623 P CB 0.679 32.444 31.700 0.108 0.000 0.820 624 E N 1.873 122.107 120.200 0.056 0.000 2.072 624 E HA -0.032 4.323 4.350 0.008 0.000 0.190 624 E C 0.921 177.541 176.600 0.033 0.000 0.982 624 E CA 0.549 56.974 56.400 0.041 0.000 0.803 624 E CB -0.124 29.597 29.700 0.035 0.000 0.755 624 E HN 0.625 nan 8.360 nan 0.000 0.453 625 A N 0.778 123.616 122.820 0.030 0.000 2.455 625 A HA -0.061 4.264 4.320 0.008 0.000 0.244 625 A C 0.559 178.160 177.584 0.027 0.000 1.099 625 A CA 0.321 52.372 52.037 0.023 0.000 0.786 625 A CB 0.174 19.184 19.000 0.017 0.000 1.051 625 A HN 0.116 nan 8.150 nan 0.000 0.508 626 D N -1.368 119.045 120.400 0.021 0.000 2.423 626 D HA 0.017 4.661 4.640 0.008 0.000 0.212 626 D C 0.463 176.776 176.300 0.022 0.000 1.060 626 D CA 0.859 54.872 54.000 0.022 0.000 0.872 626 D CB 0.188 40.998 40.800 0.017 0.000 1.012 626 D HN 0.712 nan 8.370 nan 0.000 0.503 627 D N 0.152 120.563 120.400 0.018 0.000 2.358 627 D HA 0.048 4.692 4.640 0.008 0.000 0.224 627 D C 0.385 176.697 176.300 0.019 0.000 1.123 627 D CA -0.040 53.970 54.000 0.017 0.000 0.833 627 D CB 0.909 41.715 40.800 0.010 0.000 0.946 627 D HN 0.183 nan 8.370 nan 0.000 0.505 628 I N 1.342 121.928 120.570 0.027 0.000 2.499 628 I HA 0.180 4.355 4.170 0.008 0.000 0.288 628 I C -0.469 175.684 176.117 0.059 0.000 1.048 628 I CA -0.641 60.677 61.300 0.030 0.000 1.062 628 I CB 2.089 40.099 38.000 0.017 0.000 1.238 628 I HN -0.032 nan 8.210 nan 0.000 0.426 629 Q N 4.276 124.121 119.800 0.074 0.000 2.683 629 Q HA 0.509 4.854 4.340 0.008 0.000 0.302 629 Q C -1.561 174.541 176.000 0.170 0.000 1.042 629 Q CA -0.988 54.896 55.803 0.136 0.000 0.773 629 Q CB 1.723 30.531 28.738 0.116 0.000 1.508 629 Q HN 0.356 nan 8.270 nan 0.000 0.459 630 Y N 1.797 122.127 120.300 0.049 0.000 2.346 630 Y HA 0.243 4.797 4.550 0.007 0.000 0.330 630 Y C -1.960 173.989 175.900 0.083 0.000 1.178 630 Y CA -1.654 56.485 58.100 0.065 0.000 1.331 630 Y CB 0.673 39.159 38.460 0.043 0.000 1.253 630 Y HN 0.456 nan 8.280 nan 0.000 0.529 631 P HA 0.010 nan 4.420 nan 0.000 0.269 631 P C -0.791 176.632 177.300 0.206 0.000 1.209 631 P CA -0.203 62.998 63.100 0.169 0.000 0.776 631 P CB 0.625 32.431 31.700 0.177 0.000 0.876 632 S N 3.120 118.929 115.700 0.182 0.000 2.544 632 S HA 0.124 4.598 4.470 0.008 0.000 0.290 632 S C 0.533 175.366 174.600 0.388 0.000 1.276 632 S CA 0.158 58.498 58.200 0.234 0.000 1.075 632 S CB -0.667 62.575 63.200 0.070 0.000 0.849 632 S HN 0.353 nan 8.310 nan 0.000 0.494 633 M N 3.391 123.226 119.600 0.391 0.000 2.395 633 M HA 0.503 4.987 4.480 0.008 0.000 0.307 633 M C -1.111 175.192 176.300 0.005 0.000 1.091 633 M CA -0.814 54.635 55.300 0.249 0.000 0.919 633 M CB 1.791 34.473 32.600 0.138 0.000 1.662 633 M HN 0.476 nan 8.290 nan 0.000 0.440 634 L N 4.570 125.624 121.223 -0.281 0.000 2.343 634 L HA 0.619 4.964 4.340 0.008 0.000 0.278 634 L C -1.664 175.052 176.870 -0.256 0.000 0.996 634 L CA -0.298 54.188 54.840 -0.590 0.000 0.831 634 L CB 1.144 42.414 42.059 -1.315 0.000 1.232 634 L HN 0.689 nan 8.230 nan 0.000 0.413 635 L N 5.953 127.086 121.223 -0.151 0.000 2.325 635 L HA 0.512 4.857 4.340 0.008 0.000 0.279 635 L C -0.729 176.121 176.870 -0.032 0.000 1.054 635 L CA -0.649 54.165 54.840 -0.044 0.000 0.804 635 L CB 1.603 43.675 42.059 0.021 0.000 1.200 635 L HN 0.561 nan 8.230 nan 0.000 0.436 636 L N 2.571 123.794 121.223 -0.001 0.000 2.376 636 L HA 0.601 4.945 4.340 0.008 0.000 0.275 636 L C -0.265 176.634 176.870 0.047 0.000 0.987 636 L CA -0.067 54.795 54.840 0.036 0.000 0.828 636 L CB 2.145 44.221 42.059 0.028 0.000 1.249 636 L HN 0.625 nan 8.230 nan 0.000 0.409 637 T N 1.738 116.318 114.554 0.042 0.000 2.731 637 T HA 0.865 5.220 4.350 0.008 0.000 0.300 637 T C -1.807 172.910 174.700 0.028 0.000 1.283 637 T CA -0.196 61.934 62.100 0.051 0.000 1.005 637 T CB 2.160 71.061 68.868 0.056 0.000 1.420 637 T HN 0.713 nan 8.240 nan 0.000 0.503 638 A N 0.850 123.701 122.820 0.052 0.000 2.539 638 A HA 0.633 4.958 4.320 0.008 0.000 0.296 638 A C 0.444 178.059 177.584 0.052 0.000 1.073 638 A CA -0.147 51.919 52.037 0.049 0.000 0.700 638 A CB 1.396 20.450 19.000 0.089 0.000 1.296 638 A HN 0.887 nan 8.150 nan 0.000 0.405 639 D N -0.066 120.360 120.400 0.043 0.000 2.264 639 D HA -0.144 4.500 4.640 0.008 0.000 0.208 639 D C 0.743 176.979 176.300 -0.106 0.000 0.966 639 D CA 1.896 55.883 54.000 -0.022 0.000 0.864 639 D CB -0.334 40.446 40.800 -0.033 0.000 0.933 639 D HN 0.678 nan 8.370 nan 0.000 0.499 640 H N -0.614 118.483 119.070 0.045 0.000 2.529 640 H HA 0.154 4.715 4.556 0.008 0.000 0.277 640 H C -0.215 175.155 175.328 0.070 0.000 1.004 640 H CA -0.102 55.982 56.048 0.060 0.000 1.167 640 H CB 0.071 29.869 29.762 0.061 0.000 1.445 640 H HN 0.011 nan 8.280 nan 0.000 0.554 641 D N 1.580 122.058 120.400 0.131 0.000 2.441 641 D HA -0.065 4.580 4.640 0.008 0.000 0.243 641 D C 0.110 176.454 176.300 0.073 0.000 1.257 641 D CA -0.031 54.046 54.000 0.128 0.000 1.027 641 D CB 0.083 40.970 40.800 0.145 0.000 1.084 641 D HN 0.427 nan 8.370 nan 0.000 0.514 642 D N 2.028 122.465 120.400 0.062 0.000 2.349 642 D HA -0.065 4.580 4.640 0.008 0.000 0.224 642 D C 1.597 177.908 176.300 0.018 0.000 1.029 642 D CA -0.024 53.989 54.000 0.021 0.000 0.879 642 D CB 0.142 40.928 40.800 -0.024 0.000 0.906 642 D HN 0.218 nan 8.370 nan 0.000 0.528 643 R N 0.600 121.100 120.500 0.000 0.000 2.051 643 R HA 0.127 4.471 4.340 0.008 0.000 0.225 643 R C 0.100 176.465 176.300 0.108 0.000 1.155 643 R CA 0.906 56.996 56.100 -0.016 0.000 0.945 643 R CB -0.147 29.918 30.300 -0.393 0.000 0.840 643 R HN 0.039 nan 8.270 nan 0.000 0.432 644 V N 3.394 123.287 119.914 -0.034 0.000 2.250 644 V HA 0.234 4.359 4.120 0.008 0.000 0.268 644 V C -0.585 175.633 176.094 0.206 0.000 1.043 644 V CA -0.961 61.451 62.300 0.187 0.000 0.814 644 V CB 0.928 32.753 31.823 0.003 0.000 1.072 644 V HN 0.288 nan 8.190 nan 0.000 0.451 645 V N 4.120 124.175 119.914 0.235 0.000 2.678 645 V HA 0.065 4.189 4.120 0.008 0.000 0.304 645 V C -0.612 175.554 176.094 0.119 0.000 1.086 645 V CA -0.500 61.863 62.300 0.105 0.000 1.246 645 V CB -0.016 31.785 31.823 -0.037 0.000 0.861 645 V HN 0.630 nan 8.190 nan 0.000 0.491 646 P HA -0.151 nan 4.420 nan 0.000 0.231 646 P C 1.307 178.613 177.300 0.010 0.000 1.154 646 P CA 1.021 64.153 63.100 0.055 0.000 0.762 646 P CB -0.074 31.643 31.700 0.028 0.000 0.790 647 L N -3.855 117.315 121.223 -0.087 0.000 2.362 647 L HA -0.038 4.307 4.340 0.008 0.000 0.219 647 L C 2.226 179.015 176.870 -0.136 0.000 1.134 647 L CA 1.652 56.380 54.840 -0.187 0.000 0.807 647 L CB -1.870 39.975 42.059 -0.357 0.000 0.927 647 L HN -0.053 nan 8.230 nan 0.000 0.447 648 H N -0.288 118.775 119.070 -0.013 0.000 2.363 648 H HA 0.056 4.616 4.556 0.008 0.000 0.301 648 H C 2.224 177.571 175.328 0.033 0.000 1.074 648 H CA 1.609 57.673 56.048 0.026 0.000 1.354 648 H CB 0.153 29.947 29.762 0.053 0.000 1.397 648 H HN 0.475 nan 8.280 nan 0.000 0.516 649 S N 0.320 116.123 115.700 0.172 0.000 2.414 649 S HA 0.009 4.484 4.470 0.008 0.000 0.227 649 S C 2.396 177.076 174.600 0.132 0.000 1.022 649 S CA 0.174 58.471 58.200 0.162 0.000 0.958 649 S CB 0.091 63.360 63.200 0.116 0.000 0.797 649 S HN 0.211 nan 8.310 nan 0.000 0.493 650 L N 1.315 122.577 121.223 0.065 0.000 1.988 650 L HA -0.077 4.268 4.340 0.008 0.000 0.207 650 L C 2.255 179.031 176.870 -0.157 0.000 1.071 650 L CA 1.236 56.096 54.840 0.034 0.000 0.744 650 L CB -0.694 41.318 42.059 -0.078 0.000 0.893 650 L HN 0.205 nan 8.230 nan 0.000 0.433 651 K N -0.482 119.799 120.400 -0.199 0.000 2.360 651 K HA -0.173 4.152 4.320 0.008 0.000 0.201 651 K C 1.925 178.476 176.600 -0.081 0.000 1.046 651 K CA 1.239 57.397 56.287 -0.216 0.000 0.945 651 K CB -0.166 32.255 32.500 -0.130 0.000 0.750 651 K HN 0.179 nan 8.250 nan 0.000 0.464 652 F N 0.793 120.653 119.950 -0.150 0.000 2.530 652 F HA 0.051 4.582 4.527 0.007 0.000 0.292 652 F C 1.776 177.494 175.800 -0.136 0.000 1.109 652 F CA -0.079 57.850 58.000 -0.117 0.000 1.450 652 F CB 0.106 39.070 39.000 -0.060 0.000 1.114 652 F HN -0.179 nan 8.300 nan 0.000 0.560 653 I N 0.441 120.890 120.570 -0.202 0.000 2.584 653 I HA 0.101 4.276 4.170 0.008 0.000 0.255 653 I C 2.326 178.240 176.117 -0.338 0.000 1.145 653 I CA 1.354 62.475 61.300 -0.298 0.000 1.462 653 I CB -1.008 36.918 38.000 -0.123 0.000 1.102 653 I HN 0.071 nan 8.210 nan 0.000 0.433 654 A N -0.684 121.925 122.820 -0.350 0.000 1.902 654 A HA -0.188 4.137 4.320 0.008 0.000 0.217 654 A C 2.313 179.528 177.584 -0.615 0.000 1.181 654 A CA 2.414 54.093 52.037 -0.597 0.000 0.623 654 A CB -1.253 16.997 19.000 -1.250 0.000 0.818 654 A HN 0.434 nan 8.150 nan 0.000 0.443 655 T N 0.181 114.444 114.554 -0.484 0.000 2.812 655 T HA 0.004 4.359 4.350 0.008 0.000 0.264 655 T C 1.814 176.375 174.700 -0.232 0.000 1.042 655 T CA 1.194 63.195 62.100 -0.165 0.000 1.140 655 T CB -0.298 68.530 68.868 -0.066 0.000 0.870 655 T HN 0.333 nan 8.240 nan 0.000 0.445 656 L N 0.723 121.669 121.223 -0.462 0.000 2.083 656 L HA -0.132 4.213 4.340 0.008 0.000 0.209 656 L C 2.848 179.488 176.870 -0.385 0.000 1.083 656 L CA 1.393 55.925 54.840 -0.513 0.000 0.752 656 L CB -0.439 41.221 42.059 -0.665 0.000 0.899 656 L HN 0.338 nan 8.230 nan 0.000 0.433 657 Q N -1.669 117.909 119.800 -0.370 0.000 2.123 657 Q HA -0.211 4.134 4.340 0.008 0.000 0.199 657 Q C 1.959 177.898 176.000 -0.101 0.000 0.966 657 Q CA 1.431 57.020 55.803 -0.356 0.000 0.845 657 Q CB -0.087 28.341 28.738 -0.516 0.000 0.907 657 Q HN 0.442 nan 8.270 nan 0.000 0.439 658 Y N 1.014 121.230 120.300 -0.141 0.000 2.176 658 Y HA -0.167 4.387 4.550 0.007 0.000 0.291 658 Y C 1.937 177.821 175.900 -0.027 0.000 1.122 658 Y CA 1.140 59.228 58.100 -0.020 0.000 1.128 658 Y CB 0.054 38.562 38.460 0.079 0.000 1.005 658 Y HN -0.012 nan 8.280 nan 0.000 0.509 659 I N -0.947 119.604 120.570 -0.033 0.000 2.202 659 I HA -0.194 3.981 4.170 0.008 0.000 0.242 659 I C 2.051 178.055 176.117 -0.188 0.000 1.091 659 I CA 1.285 62.519 61.300 -0.111 0.000 1.368 659 I CB -1.158 36.819 38.000 -0.038 0.000 1.058 659 I HN 0.183 nan 8.210 nan 0.000 0.410 660 V N 0.490 120.264 119.914 -0.234 0.000 2.627 660 V HA 0.152 4.277 4.120 0.008 0.000 0.239 660 V C 2.625 178.639 176.094 -0.134 0.000 1.077 660 V CA 1.262 63.415 62.300 -0.244 0.000 1.103 660 V CB -1.154 30.377 31.823 -0.487 0.000 0.802 660 V HN 0.389 nan 8.190 nan 0.000 0.482 661 G N 0.805 109.536 108.800 -0.114 0.000 2.507 661 G HA2 -0.271 3.693 3.960 0.008 0.000 0.221 661 G HA3 -0.271 3.693 3.960 0.008 0.000 0.221 661 G C 1.647 176.605 174.900 0.096 0.000 1.119 661 G CA 0.815 45.958 45.100 0.073 0.000 0.751 661 G HN 0.309 nan 8.290 nan 0.000 0.574 662 R N 0.812 121.296 120.500 -0.026 0.000 2.153 662 R HA 0.046 4.391 4.340 0.008 0.000 0.218 662 R C 2.035 178.301 176.300 -0.058 0.000 1.072 662 R CA 0.681 56.745 56.100 -0.060 0.000 0.990 662 R CB -0.880 29.306 30.300 -0.191 0.000 0.889 662 R HN 0.497 nan 8.270 nan 0.000 0.452 663 S N 0.705 116.370 115.700 -0.058 0.000 2.569 663 S HA 0.040 4.515 4.470 0.008 0.000 0.274 663 S C 1.162 175.752 174.600 -0.016 0.000 1.353 663 S CA -0.247 57.932 58.200 -0.037 0.000 1.023 663 S CB 1.338 64.522 63.200 -0.025 0.000 0.876 663 S HN 0.013 nan 8.310 nan 0.000 0.540 664 R N 1.483 121.977 120.500 -0.010 0.000 2.210 664 R HA 0.091 4.436 4.340 0.008 0.000 0.203 664 R C 2.018 178.322 176.300 0.006 0.000 1.010 664 R CA 1.350 57.447 56.100 -0.005 0.000 1.008 664 R CB -0.612 29.684 30.300 -0.005 0.000 0.923 664 R HN 0.943 nan 8.270 nan 0.000 0.469 665 K N 0.027 120.435 120.400 0.013 0.000 2.432 665 K HA -0.051 4.274 4.320 0.008 0.000 0.196 665 K C 0.606 177.228 176.600 0.036 0.000 1.038 665 K CA 0.389 56.690 56.287 0.024 0.000 0.986 665 K CB 0.120 32.636 32.500 0.028 0.000 0.782 665 K HN -0.218 nan 8.250 nan 0.000 0.485 666 Q N 1.375 121.197 119.800 0.036 0.000 2.337 666 Q HA 0.162 4.507 4.340 0.008 0.000 0.255 666 Q C -0.280 175.750 176.000 0.049 0.000 0.997 666 Q CA -0.094 55.742 55.803 0.055 0.000 0.925 666 Q CB 1.034 29.803 28.738 0.052 0.000 1.212 666 Q HN 0.191 nan 8.270 nan 0.000 0.436 667 N N 2.593 121.328 118.700 0.058 0.000 2.510 667 N HA 0.063 4.808 4.740 0.008 0.000 0.186 667 N C -0.566 174.985 175.510 0.069 0.000 1.051 667 N CA 0.110 53.190 53.050 0.050 0.000 0.877 667 N CB 0.276 38.790 38.487 0.045 0.000 1.183 667 N HN 0.515 nan 8.380 nan 0.000 0.443 668 N N 3.750 122.503 118.700 0.088 0.000 2.412 668 N HA 0.054 4.799 4.740 0.008 0.000 0.258 668 N C -2.402 173.180 175.510 0.121 0.000 1.236 668 N CA -0.285 52.827 53.050 0.104 0.000 0.882 668 N CB 0.195 38.755 38.487 0.121 0.000 1.066 668 N HN 0.204 nan 8.380 nan 0.000 0.465 669 P HA 0.134 nan 4.420 nan 0.000 0.271 669 P C -0.450 176.931 177.300 0.135 0.000 1.216 669 P CA -0.023 63.131 63.100 0.091 0.000 0.776 669 P CB 0.682 32.273 31.700 -0.182 0.000 0.881 670 L N 3.908 125.162 121.223 0.051 0.000 2.356 670 L HA 0.431 4.775 4.340 0.008 0.000 0.264 670 L C 0.155 176.892 176.870 -0.223 0.000 1.029 670 L CA -0.336 54.435 54.840 -0.115 0.000 0.897 670 L CB 0.179 42.075 42.059 -0.271 0.000 1.256 670 L HN 0.195 nan 8.230 nan 0.000 0.444 671 L N 3.235 124.368 121.223 -0.150 0.000 2.303 671 L HA 0.678 5.022 4.340 0.008 0.000 0.266 671 L C -0.532 176.232 176.870 -0.177 0.000 1.011 671 L CA -0.748 53.986 54.840 -0.177 0.000 0.818 671 L CB 2.867 44.836 42.059 -0.151 0.000 1.326 671 L HN 0.420 nan 8.230 nan 0.000 0.435 672 I N -0.213 120.277 120.570 -0.133 0.000 2.802 672 I HA 0.372 4.546 4.170 0.008 0.000 0.298 672 I C -1.770 174.340 176.117 -0.013 0.000 1.176 672 I CA -0.449 60.801 61.300 -0.083 0.000 1.025 672 I CB 2.495 40.446 38.000 -0.082 0.000 1.243 672 I HN 0.676 nan 8.210 nan 0.000 0.424 673 H N 5.916 124.933 119.070 -0.088 0.000 2.800 673 H HA 0.524 5.085 4.556 0.008 0.000 0.322 673 H C -1.699 173.612 175.328 -0.028 0.000 0.979 673 H CA -0.366 55.647 56.048 -0.058 0.000 1.277 673 H CB 1.503 31.231 29.762 -0.057 0.000 1.484 673 H HN 0.197 nan 8.280 nan 0.000 0.512 674 V N 5.418 125.067 119.914 -0.441 0.000 2.304 674 V HA 0.113 4.238 4.120 0.008 0.000 0.269 674 V C 0.317 176.158 176.094 -0.421 0.000 1.036 674 V CA -0.738 61.377 62.300 -0.309 0.000 0.840 674 V CB 0.519 32.254 31.823 -0.147 0.000 1.036 674 V HN 0.818 nan 8.190 nan 0.000 0.466 675 D N 3.692 123.887 120.400 -0.341 0.000 2.372 675 D HA 0.336 4.981 4.640 0.008 0.000 0.243 675 D C 0.464 176.742 176.300 -0.036 0.000 1.121 675 D CA 0.184 54.084 54.000 -0.166 0.000 0.898 675 D CB 1.104 41.911 40.800 0.013 0.000 1.202 675 D HN 0.637 nan 8.370 nan 0.000 0.428 676 T N 0.407 114.966 114.554 0.009 0.000 2.902 676 T HA 0.359 4.713 4.350 0.008 0.000 0.283 676 T C 0.146 174.891 174.700 0.076 0.000 1.009 676 T CA -0.979 61.157 62.100 0.060 0.000 1.051 676 T CB 1.255 70.152 68.868 0.048 0.000 0.999 676 T HN 0.538 nan 8.240 nan 0.000 0.474 677 K N -0.638 119.833 120.400 0.119 0.000 3.160 677 K HA -0.106 4.218 4.320 0.008 0.000 0.280 677 K C -0.031 176.569 176.600 -0.001 0.000 1.154 677 K CA 0.622 56.900 56.287 -0.016 0.000 0.822 677 K CB -1.758 30.721 32.500 -0.036 0.000 1.239 677 K HN 0.973 nan 8.250 nan 0.000 0.489 678 A N -0.564 122.309 122.820 0.089 0.000 2.479 678 A HA 0.877 5.202 4.320 0.008 0.000 0.296 678 A C 0.385 178.057 177.584 0.146 0.000 1.121 678 A CA 0.004 52.093 52.037 0.086 0.000 0.743 678 A CB 1.968 21.015 19.000 0.078 0.000 1.323 678 A HN 0.241 nan 8.150 nan 0.000 0.415 679 G N -1.407 107.472 108.800 0.133 0.000 3.252 679 G HA2 0.404 4.368 3.960 0.008 0.000 0.181 679 G HA3 0.404 4.368 3.960 0.008 0.000 0.181 679 G C 0.510 175.525 174.900 0.192 0.000 1.187 679 G CA 0.267 45.471 45.100 0.173 0.000 0.886 679 G HN 0.795 nan 8.290 nan 0.000 0.615 680 H N -0.464 118.653 119.070 0.078 0.000 2.422 680 H HA 0.076 4.637 4.556 0.008 0.000 0.298 680 H C 1.931 177.293 175.328 0.057 0.000 1.098 680 H CA 2.550 58.639 56.048 0.069 0.000 1.315 680 H CB 0.165 29.972 29.762 0.074 0.000 1.382 680 H HN 0.810 nan 8.280 nan 0.000 0.523 681 G N -2.145 106.675 108.800 0.033 0.000 3.505 681 G HA2 -0.035 3.929 3.960 0.008 0.000 0.210 681 G HA3 -0.035 3.929 3.960 0.008 0.000 0.210 681 G C 0.305 175.203 174.900 -0.004 0.000 1.047 681 G CA -0.008 45.071 45.100 -0.035 0.000 0.884 681 G HN 0.610 nan 8.290 nan 0.000 0.434 682 A N 0.596 123.425 122.820 0.014 0.000 2.462 682 A HA 0.580 4.905 4.320 0.008 0.000 0.243 682 A C 1.898 179.501 177.584 0.031 0.000 1.076 682 A CA 1.691 53.742 52.037 0.024 0.000 0.773 682 A CB -0.180 18.846 19.000 0.042 0.000 1.010 682 A HN 2.388 nan 8.150 nan 0.000 0.493 683 G N 0.796 109.608 108.800 0.020 0.000 2.162 683 G HA2 -0.283 3.682 3.960 0.008 0.000 0.260 683 G HA3 -0.283 3.682 3.960 0.008 0.000 0.260 683 G C 0.362 175.273 174.900 0.019 0.000 0.976 683 G CA 0.776 45.886 45.100 0.018 0.000 0.655 683 G HN 1.089 nan 8.290 nan 0.000 0.533 684 K N 1.933 122.346 120.400 0.022 0.000 2.447 684 K HA 0.344 4.668 4.320 0.008 0.000 0.281 684 K C -1.495 175.120 176.600 0.025 0.000 1.031 684 K CA -1.109 55.192 56.287 0.025 0.000 1.019 684 K CB 0.676 33.190 32.500 0.024 0.000 0.918 684 K HN 0.165 nan 8.250 nan 0.000 0.476 685 P HA -0.021 nan 4.420 nan 0.000 0.269 685 P C 0.150 177.475 177.300 0.041 0.000 1.215 685 P CA -0.189 62.927 63.100 0.027 0.000 0.780 685 P CB 0.866 32.578 31.700 0.021 0.000 0.898 686 T N 1.943 116.532 114.554 0.059 0.000 2.624 686 T HA -0.259 4.095 4.350 0.008 0.000 0.268 686 T C 1.868 176.609 174.700 0.068 0.000 1.041 686 T CA 2.425 64.586 62.100 0.101 0.000 1.159 686 T CB -0.881 68.071 68.868 0.140 0.000 0.863 686 T HN 0.561 nan 8.240 nan 0.000 0.434 687 A N 1.971 124.823 122.820 0.053 0.000 1.881 687 A HA -0.288 4.036 4.320 0.008 0.000 0.219 687 A C 2.257 179.863 177.584 0.037 0.000 1.215 687 A CA 2.312 54.375 52.037 0.044 0.000 0.648 687 A CB -0.699 18.322 19.000 0.035 0.000 0.832 687 A HN 0.532 nan 8.150 nan 0.000 0.455 688 K N -0.858 119.563 120.400 0.035 0.000 2.147 688 K HA -0.055 4.270 4.320 0.008 0.000 0.205 688 K C 1.871 178.486 176.600 0.025 0.000 1.049 688 K CA 1.235 57.544 56.287 0.036 0.000 0.936 688 K CB -0.367 32.157 32.500 0.040 0.000 0.722 688 K HN 0.311 nan 8.250 nan 0.000 0.446 689 V N 1.640 121.561 119.914 0.011 0.000 2.343 689 V HA -0.232 3.893 4.120 0.008 0.000 0.247 689 V C 2.073 178.146 176.094 -0.036 0.000 1.051 689 V CA 1.578 63.865 62.300 -0.022 0.000 1.036 689 V CB -0.245 31.544 31.823 -0.056 0.000 0.654 689 V HN 0.281 nan 8.190 nan 0.000 0.451 690 I N -0.649 119.905 120.570 -0.027 0.000 2.315 690 I HA -0.145 4.029 4.170 0.008 0.000 0.248 690 I C 2.570 178.716 176.117 0.048 0.000 1.117 690 I CA 0.995 62.298 61.300 0.005 0.000 1.404 690 I CB -0.289 37.729 38.000 0.030 0.000 1.071 690 I HN 0.302 nan 8.210 nan 0.000 0.419 691 E N 0.635 120.855 120.200 0.034 0.000 2.047 691 E HA -0.258 4.097 4.350 0.008 0.000 0.191 691 E C 1.903 178.507 176.600 0.006 0.000 0.987 691 E CA 1.194 57.611 56.400 0.028 0.000 0.799 691 E CB -0.259 29.459 29.700 0.030 0.000 0.752 691 E HN 0.520 nan 8.360 nan 0.000 0.449 692 E N 0.688 120.892 120.200 0.006 0.000 2.012 692 E HA -0.182 4.172 4.350 0.008 0.000 0.197 692 E C 2.218 178.798 176.600 -0.033 0.000 1.007 692 E CA 2.323 58.714 56.400 -0.015 0.000 0.816 692 E CB -0.029 29.674 29.700 0.004 0.000 0.762 692 E HN 0.124 nan 8.360 nan 0.000 0.451 693 V N -0.758 119.160 119.914 0.006 0.000 2.392 693 V HA -0.226 3.898 4.120 0.008 0.000 0.249 693 V C 2.210 178.291 176.094 -0.021 0.000 1.059 693 V CA 2.212 64.534 62.300 0.038 0.000 1.051 693 V CB -0.830 31.106 31.823 0.189 0.000 0.658 693 V HN 0.153 nan 8.190 nan 0.000 0.455 694 S N 0.255 115.977 115.700 0.037 0.000 2.474 694 S HA -0.130 4.345 4.470 0.008 0.000 0.235 694 S C 1.550 176.105 174.600 -0.075 0.000 0.997 694 S CA 1.476 59.672 58.200 -0.005 0.000 0.949 694 S CB -0.457 62.846 63.200 0.172 0.000 0.766 694 S HN 0.719 nan 8.310 nan 0.000 0.517 695 D N 1.254 121.605 120.400 -0.082 0.000 2.162 695 D HA 0.127 4.772 4.640 0.008 0.000 0.205 695 D C 1.895 178.148 176.300 -0.079 0.000 0.964 695 D CA 0.790 54.736 54.000 -0.088 0.000 0.847 695 D CB -0.170 40.537 40.800 -0.155 0.000 0.988 695 D HN 0.329 nan 8.370 nan 0.000 0.480 696 M N -0.687 118.810 119.600 -0.172 0.000 2.086 696 M HA -0.070 4.414 4.480 0.008 0.000 0.261 696 M C 1.727 177.869 176.300 -0.264 0.000 1.067 696 M CA 1.306 56.459 55.300 -0.245 0.000 1.116 696 M CB -0.339 31.988 32.600 -0.455 0.000 1.348 696 M HN -0.047 nan 8.290 nan 0.000 0.407 697 F N 0.034 119.872 119.950 -0.186 0.000 2.558 697 F HA 0.021 4.552 4.527 0.008 0.000 0.298 697 F C 2.452 178.218 175.800 -0.057 0.000 1.119 697 F CA 0.557 58.441 58.000 -0.193 0.000 1.451 697 F CB -0.466 38.189 39.000 -0.574 0.000 1.091 697 F HN 0.109 nan 8.300 nan 0.000 0.563 698 A N 0.265 123.126 122.820 0.067 0.000 1.840 698 A HA -0.165 4.160 4.320 0.008 0.000 0.214 698 A C 1.978 179.635 177.584 0.121 0.000 1.198 698 A CA 1.033 53.120 52.037 0.084 0.000 0.608 698 A CB -1.293 17.729 19.000 0.037 0.000 0.839 698 A HN 0.342 nan 8.150 nan 0.000 0.443 699 F N 1.215 121.167 119.950 0.004 0.000 2.063 699 F HA -0.273 4.258 4.527 0.008 0.000 0.298 699 F C 1.985 177.844 175.800 0.098 0.000 1.109 699 F CA 2.082 60.124 58.000 0.070 0.000 1.212 699 F CB -0.360 38.684 39.000 0.073 0.000 0.973 699 F HN 0.219 nan 8.300 nan 0.000 0.480 700 I N -0.038 120.614 120.570 0.135 0.000 2.226 700 I HA -0.317 3.858 4.170 0.008 0.000 0.245 700 I C 2.697 178.871 176.117 0.096 0.000 1.100 700 I CA 1.156 62.512 61.300 0.093 0.000 1.374 700 I CB -1.194 36.946 38.000 0.233 0.000 1.057 700 I HN 0.269 nan 8.210 nan 0.000 0.413 701 A N 1.471 124.383 122.820 0.154 0.000 1.835 701 A HA -0.267 4.058 4.320 0.008 0.000 0.215 701 A C 2.449 180.061 177.584 0.047 0.000 1.199 701 A CA 2.134 54.264 52.037 0.155 0.000 0.615 701 A CB -0.830 18.287 19.000 0.196 0.000 0.838 701 A HN 0.425 nan 8.150 nan 0.000 0.444 702 R N -0.915 119.571 120.500 -0.025 0.000 2.159 702 R HA -0.158 4.186 4.340 0.008 0.000 0.237 702 R C 1.913 178.143 176.300 -0.116 0.000 1.131 702 R CA 1.973 58.009 56.100 -0.107 0.000 0.982 702 R CB -0.775 29.381 30.300 -0.239 0.000 0.868 702 R HN 0.516 nan 8.270 nan 0.000 0.453 703 C N -0.022 119.177 119.300 -0.168 0.000 2.485 703 C HA 0.176 4.641 4.460 0.008 0.000 0.278 703 C C 2.063 177.016 174.990 -0.062 0.000 1.356 703 C CA 0.175 59.086 59.018 -0.179 0.000 1.747 703 C CB -0.369 27.085 27.740 -0.476 0.000 2.001 703 C HN 0.529 nan 8.230 nan 0.000 0.501 704 L N 0.191 121.405 121.223 -0.014 0.000 2.640 704 L HA 0.208 4.553 4.340 0.008 0.000 0.230 704 L C 1.422 178.320 176.870 0.047 0.000 1.123 704 L CA 0.909 55.773 54.840 0.040 0.000 0.900 704 L CB -1.394 40.719 42.059 0.091 0.000 1.146 704 L HN 0.540 nan 8.230 nan 0.000 0.484 705 N N 1.124 119.845 118.700 0.035 0.000 2.747 705 N HA -0.213 4.532 4.740 0.008 0.000 0.249 705 N C 0.179 175.727 175.510 0.063 0.000 1.107 705 N CA 1.206 54.279 53.050 0.039 0.000 0.707 705 N CB -2.715 35.789 38.487 0.028 0.000 1.054 705 N HN 0.390 nan 8.380 nan 0.000 0.555 706 I N -0.531 120.095 120.570 0.094 0.000 2.720 706 I HA 0.396 4.571 4.170 0.008 0.000 0.287 706 I C 0.434 176.630 176.117 0.133 0.000 1.090 706 I CA -0.613 60.754 61.300 0.111 0.000 1.384 706 I CB 0.804 38.891 38.000 0.146 0.000 1.420 706 I HN 0.262 nan 8.210 nan 0.000 0.575 707 D N 3.056 123.529 120.400 0.122 0.000 2.340 707 D HA 0.186 4.831 4.640 0.008 0.000 0.251 707 D C -0.885 175.552 176.300 0.229 0.000 1.080 707 D CA -0.363 53.731 54.000 0.157 0.000 0.971 707 D CB 1.296 42.161 40.800 0.109 0.000 1.137 707 D HN 0.427 nan 8.370 nan 0.000 0.475 708 W N 1.876 123.209 121.300 0.055 0.000 2.313 708 W HA 0.435 5.099 4.660 0.008 0.000 0.328 708 W C -0.916 175.642 176.519 0.065 0.000 1.197 708 W CA -0.541 56.846 57.345 0.069 0.000 1.235 708 W CB 0.664 30.153 29.460 0.048 0.000 1.158 708 W HN 0.221 nan 8.180 nan 0.000 0.578 709 I N 7.705 128.013 120.570 -0.436 0.000 2.502 709 I HA 0.153 4.328 4.170 0.008 0.000 0.276 709 I C -1.888 174.075 176.117 -0.256 0.000 1.057 709 I 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