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 1t36_1_C DATA FIRST_RESID 1 DATA SEQUENCE MPKRTDIKSI LILGAGPIVI GQACEFDYSG AQACKALREE GYRVILVNSN DATA SEQUENCE PATIMTDPEM ADATYIEPIH WEVVRKIIEK ERPDAVLPTM GGQTALNCAL DATA SEQUENCE ELERQGVLEE FGVTMIGATA DAIDKAEDRR RFDVAMKKIG LETARSGIAH DATA SEQUENCE TMEEALAVAA DVGFPCIIRP SFTMGGSGGG IAYNREEFEE ICARGLDLSP DATA SEQUENCE TKELLIDESL IGWKEYEMEV VRDKNDNCII VCSIENFDAM GIHTGDSITV DATA SEQUENCE APAQTLTDKE YQIMRNASMA VLREIGVETG GSNVQFAVNP KNGRLIVIEM DATA SEQUENCE NPRVSRSSAL ASKATGFPIA KVAAKLAVGY TLDELMNDIT GGRTPASFEP DATA SEQUENCE SIDYVVTKIP RFNFEKFAGA NDRLTTQMKS VGEVMAIGRT QQESLQKALR DATA SEQUENCE GLEVGATGFD PKVSLDDPEA LTKIRRELKD AGADRIWYIA DAFRAGLSVD DATA SEQUENCE GVFNLTNIDR WFLVQIEELV RLEEKVAEVG ITGLNADFLR QLKRKGFADA DATA SEQUENCE RLAKLAGVRE AEIRKLRDQY DLHPVYKRVD TCAAEFATDT AYMYSTYEEE DATA SEQUENCE CEANPSTDRE KIMVLGGGPN RIGQGIEFDY CCVHASLALR EDGYETIMVN DATA SEQUENCE CNPETVSTDY DTSDRLYFEP VTLEDVLEIV RIEKPKGVIV QYGGQTPLKL DATA SEQUENCE ARALEAAGVP VIGTSPDAID RAEDRERFQH AVERLKLKQP ANATVTAIEM DATA SEQUENCE AVEKAKEIGY PLVVRPXXXX XXXAMEIVYD EADLRRYFQT AXXXXXXXXV DATA SEQUENCE LLDHFLDDAV EVDVDAICDG EMVLIGGIME HIEQAGVHSG DSACSLPAYT DATA SEQUENCE LSQEIQDVMR QQVQKLAFEL QVRGLMNVQF AVKNNEVYLI EVNPRAARTV DATA SEQUENCE PFVSKATGVP LAKVAARVMA GKSLAEQGVT KEVIPPYYSV KEVVLPFNKF DATA SEQUENCE PGVDPLLGPE MRSTGEVMGV GRTFAEAFAK AQLGSNSTMK KHGRALLSVR DATA SEQUENCE EGDKERVVDL AAKLLKQGFE LDATHGTAIV LGEAGINPRL VNKVHEGRPH DATA SEQUENCE IQDRIKNGEY TYIINTTSGR RAIEDSRVIR RSALQYKVHY DTTLNGGFAT DATA SEQUENCE AMALNADATE KVISVQEMHA QIK 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.241 176.300 -0.098 0.000 1.140 1 M CA 0.000 55.278 55.300 -0.036 0.000 0.988 1 M CB 0.000 32.572 32.600 -0.046 0.000 1.302 2 P HA 0.317 nan 4.420 nan 0.000 0.318 2 P C -1.442 175.505 177.300 -0.590 0.000 1.309 2 P CA -0.530 62.367 63.100 -0.338 0.000 0.736 2 P CB 0.002 31.598 31.700 -0.174 0.000 1.440 3 K N -0.006 119.881 120.400 -0.854 0.000 2.448 3 K HA 0.129 4.450 4.320 0.001 0.000 0.278 3 K C 0.179 176.690 176.600 -0.149 0.000 1.009 3 K CA -0.165 55.784 56.287 -0.563 0.000 0.995 3 K CB 0.317 32.681 32.500 -0.227 0.000 0.917 3 K HN 0.150 nan 8.250 nan 0.000 0.481 4 R N 1.639 122.126 120.500 -0.022 0.000 2.585 4 R HA -0.052 4.288 4.340 0.001 0.000 0.275 4 R C 0.527 176.886 176.300 0.099 0.000 1.018 4 R CA 0.431 56.554 56.100 0.038 0.000 1.072 4 R CB 0.512 30.839 30.300 0.046 0.000 0.953 4 R HN 0.806 nan 8.270 nan 0.000 0.419 5 T N 0.578 115.160 114.554 0.048 0.000 3.015 5 T HA -0.057 4.294 4.350 0.001 0.000 0.250 5 T C 0.945 175.677 174.700 0.053 0.000 1.057 5 T CA 0.582 62.706 62.100 0.040 0.000 1.066 5 T CB 0.112 68.985 68.868 0.008 0.000 0.959 5 T HN 0.711 nan 8.240 nan 0.000 0.488 6 D N 0.402 120.835 120.400 0.053 0.000 2.363 6 D HA 0.018 4.658 4.640 0.001 0.000 0.220 6 D C 0.415 176.758 176.300 0.071 0.000 0.994 6 D CA 0.229 54.259 54.000 0.050 0.000 0.890 6 D CB 0.128 40.949 40.800 0.034 0.000 0.906 6 D HN 0.366 nan 8.370 nan 0.000 0.530 7 I N -0.103 120.535 120.570 0.114 0.000 2.474 7 I HA 0.229 4.399 4.170 0.001 0.000 0.294 7 I C 0.982 177.238 176.117 0.232 0.000 1.005 7 I CA -0.611 60.775 61.300 0.144 0.000 1.113 7 I CB 2.412 40.481 38.000 0.115 0.000 1.289 7 I HN -0.373 nan 8.210 nan 0.000 0.436 8 K N 2.121 122.633 120.400 0.186 0.000 2.474 8 K HA 0.212 4.533 4.320 0.001 0.000 0.204 8 K C -0.085 176.649 176.600 0.223 0.000 1.220 8 K CA 0.129 56.525 56.287 0.182 0.000 0.966 8 K CB 0.814 33.363 32.500 0.083 0.000 1.049 8 K HN 0.650 nan 8.250 nan 0.000 0.554 9 S N 0.630 116.433 115.700 0.172 0.000 2.571 9 S HA 0.644 5.115 4.470 0.001 0.000 0.284 9 S C -0.695 173.959 174.600 0.089 0.000 1.128 9 S CA -0.919 57.359 58.200 0.130 0.000 0.970 9 S CB 1.148 64.401 63.200 0.089 0.000 1.039 9 S HN 0.090 nan 8.310 nan 0.000 0.485 10 I N 2.933 123.546 120.570 0.072 0.000 2.498 10 I HA 0.507 4.678 4.170 0.001 0.000 0.290 10 I C -1.130 175.005 176.117 0.031 0.000 1.032 10 I CA -1.006 60.310 61.300 0.026 0.000 1.073 10 I CB 1.959 39.942 38.000 -0.029 0.000 1.251 10 I HN 0.618 nan 8.210 nan 0.000 0.426 11 L N 7.551 128.786 121.223 0.020 0.000 2.296 11 L HA 0.632 4.973 4.340 0.001 0.000 0.286 11 L C -0.941 175.937 176.870 0.012 0.000 1.023 11 L CA -0.003 54.850 54.840 0.022 0.000 0.812 11 L CB 0.927 42.992 42.059 0.010 0.000 1.223 11 L HN 0.445 nan 8.230 nan 0.000 0.421 12 I N 6.064 126.646 120.570 0.020 0.000 2.378 12 I HA 0.307 4.478 4.170 0.001 0.000 0.291 12 I C -0.599 175.526 176.117 0.014 0.000 0.992 12 I CA -0.628 60.680 61.300 0.012 0.000 1.154 12 I CB 1.576 39.585 38.000 0.015 0.000 1.315 12 I HN 0.480 nan 8.210 nan 0.000 0.448 13 L N 6.104 127.328 121.223 0.001 0.000 2.278 13 L HA 0.410 4.751 4.340 0.001 0.000 0.287 13 L C 0.991 177.854 176.870 -0.011 0.000 1.072 13 L CA -0.257 54.580 54.840 -0.005 0.000 0.819 13 L CB 0.692 42.741 42.059 -0.017 0.000 1.176 13 L HN 0.691 nan 8.230 nan 0.000 0.435 14 G N 1.699 110.500 108.800 0.002 0.000 2.621 14 G HA2 0.391 4.352 3.960 0.001 0.000 0.271 14 G HA3 0.391 4.352 3.960 0.001 0.000 0.271 14 G C 0.722 175.608 174.900 -0.022 0.000 1.236 14 G CA 0.168 45.273 45.100 0.009 0.000 0.958 14 G HN 0.758 nan 8.290 nan 0.000 0.512 15 A N -1.513 121.305 122.820 -0.004 0.000 2.147 15 A HA 0.575 4.896 4.320 0.001 0.000 0.211 15 A C 1.536 179.111 177.584 -0.014 0.000 1.160 15 A CA 1.481 53.486 52.037 -0.054 0.000 0.781 15 A CB -0.767 18.215 19.000 -0.029 0.000 0.842 15 A HN 2.522 nan 8.150 nan 0.000 0.475 16 G N -0.719 108.089 108.800 0.014 0.000 2.615 16 G HA2 -0.071 3.889 3.960 0.001 0.000 0.218 16 G HA3 -0.071 3.889 3.960 0.001 0.000 0.218 16 G C -3.043 171.869 174.900 0.021 0.000 1.339 16 G CA -0.441 44.665 45.100 0.010 0.000 0.884 16 G HN 0.333 nan 8.290 nan 0.000 0.559 17 P HA 0.395 nan 4.420 nan 0.000 0.269 17 P C 0.387 177.695 177.300 0.013 0.000 1.209 17 P CA -0.285 62.813 63.100 -0.003 0.000 0.776 17 P CB 0.329 32.014 31.700 -0.025 0.000 0.876 18 I N 2.438 123.016 120.570 0.012 0.000 2.556 18 I HA 0.132 4.303 4.170 0.001 0.000 0.284 18 I C 0.886 177.004 176.117 0.002 0.000 1.114 18 I CA -0.034 61.280 61.300 0.023 0.000 1.418 18 I CB 0.033 38.042 38.000 0.016 0.000 1.394 18 I HN 0.199 nan 8.210 nan 0.000 0.552 19 V N 4.698 124.616 119.914 0.007 0.000 3.159 19 V HA 0.558 4.679 4.120 0.001 0.000 0.308 19 V C -0.088 175.991 176.094 -0.026 0.000 1.190 19 V CA -1.180 61.108 62.300 -0.020 0.000 1.037 19 V CB 2.079 33.885 31.823 -0.028 0.000 1.060 19 V HN 0.467 nan 8.190 nan 0.000 0.437 20 I N 2.342 122.877 120.570 -0.059 0.000 2.683 20 I HA 0.409 4.580 4.170 0.001 0.000 0.286 20 I C 1.577 177.647 176.117 -0.077 0.000 1.175 20 I CA 1.996 63.249 61.300 -0.079 0.000 1.429 20 I CB 0.642 38.567 38.000 -0.125 0.000 1.371 20 I HN 1.286 nan 8.210 nan 0.000 0.569 21 G N 4.775 113.536 108.800 -0.066 0.000 2.241 21 G HA2 -0.289 3.671 3.960 0.001 0.000 0.244 21 G HA3 -0.289 3.671 3.960 0.001 0.000 0.244 21 G C 0.321 175.254 174.900 0.055 0.000 0.998 21 G CA 0.103 45.173 45.100 -0.050 0.000 0.621 21 G HN 0.606 nan 8.290 nan 0.000 0.519 22 Q N 0.258 120.113 119.800 0.092 0.000 3.021 22 Q HA 0.674 5.015 4.340 0.001 0.000 0.234 22 Q C 0.142 176.262 176.000 0.201 0.000 0.930 22 Q CA 0.372 56.331 55.803 0.259 0.000 0.714 22 Q CB 0.749 29.607 28.738 0.199 0.000 1.325 22 Q HN 0.852 nan 8.270 nan 0.000 0.473 23 A N 0.341 123.230 122.820 0.115 0.000 3.158 23 A HA 0.369 4.690 4.320 0.001 0.000 0.217 23 A C 1.058 178.634 177.584 -0.014 0.000 1.469 23 A CA -0.291 51.762 52.037 0.027 0.000 0.885 23 A CB -0.173 18.814 19.000 -0.023 0.000 1.662 23 A HN 0.831 nan 8.150 nan 0.000 0.512 24 C N 0.996 120.277 119.300 -0.032 0.000 2.409 24 C HA -0.086 4.375 4.460 0.001 0.000 0.284 24 C C 2.490 177.446 174.990 -0.056 0.000 1.354 24 C CA 1.015 60.028 59.018 -0.009 0.000 1.787 24 C CB -1.472 26.272 27.740 0.006 0.000 1.900 24 C HN 0.867 nan 8.230 nan 0.000 0.520 25 E N 1.484 121.546 120.200 -0.230 0.000 2.219 25 E HA -0.230 4.121 4.350 0.001 0.000 0.198 25 E C 1.369 177.761 176.600 -0.346 0.000 0.998 25 E CA 1.629 57.839 56.400 -0.317 0.000 0.818 25 E CB -0.734 28.686 29.700 -0.467 0.000 0.741 25 E HN 0.626 nan 8.360 nan 0.000 0.477 26 F N 1.472 121.482 119.950 0.100 0.000 2.615 26 F HA 0.076 4.604 4.527 0.001 0.000 0.297 26 F C 2.065 177.902 175.800 0.062 0.000 1.124 26 F CA 0.823 58.864 58.000 0.067 0.000 1.451 26 F CB -0.364 38.661 39.000 0.040 0.000 1.103 26 F HN 0.061 nan 8.300 nan 0.000 0.569 27 D N -0.936 119.576 120.400 0.187 0.000 2.183 27 D HA -0.210 4.430 4.640 0.001 0.000 0.205 27 D C 2.186 178.570 176.300 0.140 0.000 0.962 27 D CA 0.860 54.950 54.000 0.150 0.000 0.849 27 D CB -0.326 40.556 40.800 0.137 0.000 0.978 27 D HN 0.239 nan 8.370 nan 0.000 0.488 28 Y N 1.138 121.450 120.300 0.020 0.000 2.128 28 Y HA -0.168 4.383 4.550 0.001 0.000 0.284 28 Y C 2.250 178.161 175.900 0.018 0.000 1.154 28 Y CA 2.134 60.235 58.100 0.002 0.000 1.149 28 Y CB -0.657 37.787 38.460 -0.026 0.000 0.976 28 Y HN -0.061 nan 8.280 nan 0.000 0.505 29 S N 0.265 115.862 115.700 -0.170 0.000 2.355 29 S HA -0.101 4.369 4.470 0.001 0.000 0.222 29 S C 2.276 176.824 174.600 -0.087 0.000 1.031 29 S CA 1.123 59.207 58.200 -0.192 0.000 0.993 29 S CB -1.196 62.046 63.200 0.071 0.000 0.859 29 S HN 0.724 nan 8.310 nan 0.000 0.453 30 G N 1.481 110.295 108.800 0.022 0.000 2.446 30 G HA2 -0.084 3.876 3.960 0.001 0.000 0.217 30 G HA3 -0.084 3.876 3.960 0.001 0.000 0.217 30 G C 1.544 176.440 174.900 -0.007 0.000 1.168 30 G CA 0.925 46.044 45.100 0.032 0.000 0.771 30 G HN 0.587 nan 8.290 nan 0.000 0.551 31 A N 0.012 122.821 122.820 -0.018 0.000 1.969 31 A HA 0.005 4.326 4.320 0.001 0.000 0.218 31 A C 2.312 179.854 177.584 -0.069 0.000 1.169 31 A CA 1.727 53.751 52.037 -0.021 0.000 0.635 31 A CB -0.296 18.708 19.000 0.006 0.000 0.810 31 A HN 0.457 nan 8.150 nan 0.000 0.445 32 Q N -0.688 119.020 119.800 -0.153 0.000 2.123 32 Q HA -0.060 4.281 4.340 0.001 0.000 0.199 32 Q C 2.467 178.406 176.000 -0.101 0.000 0.966 32 Q CA 1.139 56.836 55.803 -0.178 0.000 0.845 32 Q CB -0.334 28.215 28.738 -0.315 0.000 0.907 32 Q HN 0.682 nan 8.270 nan 0.000 0.439 33 A N 0.478 123.251 122.820 -0.079 0.000 1.858 33 A HA -0.220 4.101 4.320 0.001 0.000 0.216 33 A C 2.362 179.934 177.584 -0.020 0.000 1.190 33 A CA 1.450 53.464 52.037 -0.039 0.000 0.617 33 A CB -1.107 17.879 19.000 -0.022 0.000 0.827 33 A HN 0.492 nan 8.150 nan 0.000 0.443 34 C N -0.677 118.617 119.300 -0.012 0.000 2.413 34 C HA -0.105 4.356 4.460 0.001 0.000 0.276 34 C C 2.767 177.763 174.990 0.009 0.000 1.236 34 C CA 1.479 60.501 59.018 0.007 0.000 1.735 34 C CB -1.025 26.722 27.740 0.012 0.000 2.031 34 C HN 0.764 nan 8.230 nan 0.000 0.474 35 K N 1.107 121.501 120.400 -0.009 0.000 2.026 35 K HA -0.146 4.175 4.320 0.001 0.000 0.208 35 K C 2.097 178.697 176.600 0.001 0.000 1.048 35 K CA 1.737 58.019 56.287 -0.009 0.000 0.929 35 K CB -0.333 32.148 32.500 -0.031 0.000 0.713 35 K HN 0.394 nan 8.250 nan 0.000 0.439 36 A N 1.254 124.069 122.820 -0.010 0.000 1.933 36 A HA -0.094 4.226 4.320 0.001 0.000 0.218 36 A C 2.121 179.735 177.584 0.050 0.000 1.175 36 A CA 1.334 53.370 52.037 -0.002 0.000 0.628 36 A CB -0.516 18.470 19.000 -0.023 0.000 0.814 36 A HN 0.336 nan 8.150 nan 0.000 0.444 37 L N -1.424 119.836 121.223 0.062 0.000 2.095 37 L HA -0.073 4.267 4.340 0.001 0.000 0.204 37 L C 2.760 179.760 176.870 0.216 0.000 1.080 37 L CA 1.319 56.243 54.840 0.141 0.000 0.759 37 L CB -0.541 41.546 42.059 0.046 0.000 0.914 37 L HN 0.411 nan 8.230 nan 0.000 0.439 38 R N 0.843 121.416 120.500 0.121 0.000 2.091 38 R HA -0.204 4.137 4.340 0.001 0.000 0.238 38 R C 2.065 178.412 176.300 0.079 0.000 1.136 38 R CA 1.749 57.906 56.100 0.095 0.000 0.959 38 R CB -0.109 30.224 30.300 0.054 0.000 0.856 38 R HN 0.415 nan 8.270 nan 0.000 0.437 39 E N 0.053 120.292 120.200 0.065 0.000 2.085 39 E HA -0.168 4.183 4.350 0.001 0.000 0.194 39 E C 1.155 177.792 176.600 0.061 0.000 0.994 39 E CA 1.106 57.532 56.400 0.044 0.000 0.801 39 E CB 0.074 29.788 29.700 0.023 0.000 0.743 39 E HN 0.324 nan 8.360 nan 0.000 0.453 40 E N -0.351 119.927 120.200 0.130 0.000 2.416 40 E HA 0.033 4.383 4.350 0.001 0.000 0.189 40 E C 0.690 177.299 176.600 0.016 0.000 1.091 40 E CA 0.521 57.026 56.400 0.174 0.000 0.889 40 E CB 0.326 30.273 29.700 0.411 0.000 1.015 40 E HN 0.390 nan 8.360 nan 0.000 0.479 41 G N 1.198 109.989 108.800 -0.015 0.000 2.198 41 G HA2 -0.306 3.655 3.960 0.001 0.000 0.257 41 G HA3 -0.306 3.655 3.960 0.001 0.000 0.257 41 G C -0.344 174.385 174.900 -0.285 0.000 1.042 41 G CA 0.156 45.169 45.100 -0.145 0.000 0.791 41 G HN 0.254 nan 8.290 nan 0.000 0.502 42 Y N -0.910 119.415 120.300 0.041 0.000 2.387 42 Y HA 0.591 5.142 4.550 0.001 0.000 0.330 42 Y C 0.978 176.895 175.900 0.028 0.000 1.133 42 Y CA -1.093 57.029 58.100 0.037 0.000 1.152 42 Y CB 1.084 39.571 38.460 0.045 0.000 1.215 42 Y HN 0.157 nan 8.280 nan 0.000 0.466 43 R N 2.356 122.967 120.500 0.186 0.000 2.242 43 R HA 0.433 4.774 4.340 0.001 0.000 0.334 43 R C -1.593 174.775 176.300 0.113 0.000 1.071 43 R CA -0.260 55.907 56.100 0.112 0.000 0.922 43 R CB 0.082 30.431 30.300 0.081 0.000 1.023 43 R HN 0.545 nan 8.270 nan 0.000 0.458 44 V N 7.303 127.270 119.914 0.089 0.000 2.407 44 V HA 0.345 4.465 4.120 0.001 0.000 0.278 44 V C 0.208 176.335 176.094 0.055 0.000 1.037 44 V CA -0.487 61.855 62.300 0.070 0.000 0.900 44 V CB 1.318 33.178 31.823 0.062 0.000 0.983 44 V HN 0.648 nan 8.190 nan 0.000 0.459 45 I N 6.421 127.028 120.570 0.062 0.000 2.465 45 I HA 0.657 4.828 4.170 0.001 0.000 0.291 45 I C -0.657 175.508 176.117 0.080 0.000 1.014 45 I CA -0.644 60.705 61.300 0.083 0.000 1.093 45 I CB 1.810 39.873 38.000 0.106 0.000 1.267 45 I HN 0.577 nan 8.210 nan 0.000 0.431 46 L N 5.524 126.806 121.223 0.098 0.000 2.393 46 L HA 0.897 5.238 4.340 0.001 0.000 0.260 46 L C -1.369 175.577 176.870 0.126 0.000 1.002 46 L CA -0.872 54.018 54.840 0.083 0.000 0.818 46 L CB 2.029 44.119 42.059 0.050 0.000 1.369 46 L HN 0.370 nan 8.230 nan 0.000 0.412 47 V N 2.781 122.747 119.914 0.087 0.000 2.487 47 V HA 0.708 4.828 4.120 0.001 0.000 0.298 47 V C -1.414 174.710 176.094 0.051 0.000 1.028 47 V CA 0.007 62.360 62.300 0.088 0.000 0.860 47 V CB 1.420 33.270 31.823 0.044 0.000 0.991 47 V HN 0.960 nan 8.190 nan 0.000 0.427 48 N N 3.382 122.112 118.700 0.050 0.000 2.572 48 N HA 0.239 4.980 4.740 0.001 0.000 0.287 48 N C 0.531 176.055 175.510 0.023 0.000 1.136 48 N CA 0.302 53.372 53.050 0.033 0.000 0.900 48 N CB 2.416 40.927 38.487 0.039 0.000 1.484 48 N HN 0.718 nan 8.380 nan 0.000 0.526 49 S N 1.532 117.239 115.700 0.012 0.000 2.522 49 S HA -0.015 4.455 4.470 0.001 0.000 0.227 49 S C 0.707 175.305 174.600 -0.004 0.000 0.986 49 S CA 0.123 58.322 58.200 -0.001 0.000 0.929 49 S CB -0.149 63.042 63.200 -0.014 0.000 0.769 49 S HN 0.525 nan 8.310 nan 0.000 0.529 50 N N 3.346 122.047 118.700 0.002 0.000 2.415 50 N HA 0.269 5.010 4.740 0.001 0.000 0.246 50 N C -1.725 173.777 175.510 -0.013 0.000 1.078 50 N CA -2.420 50.627 53.050 -0.006 0.000 0.942 50 N CB 1.353 39.844 38.487 0.006 0.000 1.140 50 N HN 0.038 nan 8.380 nan 0.000 0.501 51 P HA -0.060 nan 4.420 nan 0.000 0.218 51 P C 0.179 177.380 177.300 -0.165 0.000 1.149 51 P CA 0.830 63.904 63.100 -0.042 0.000 0.817 51 P CB 0.083 31.808 31.700 0.042 0.000 0.785 52 A N 0.290 122.982 122.820 -0.212 0.000 2.728 52 A HA 0.305 4.625 4.320 0.001 0.000 0.258 52 A C 0.463 177.968 177.584 -0.131 0.000 1.454 52 A CA 0.047 51.840 52.037 -0.405 0.000 1.146 52 A CB -1.506 17.289 19.000 -0.343 0.000 0.985 52 A HN 0.306 nan 8.150 nan 0.000 0.603 53 T N -2.995 111.562 114.554 0.006 0.000 2.885 53 T HA 0.543 4.894 4.350 0.001 0.000 0.285 53 T C 0.867 175.756 174.700 0.315 0.000 1.019 53 T CA -0.720 61.479 62.100 0.166 0.000 1.010 53 T CB 1.099 70.029 68.868 0.104 0.000 1.022 53 T HN -0.015 nan 8.240 nan 0.000 0.466 54 I N 2.134 122.871 120.570 0.277 0.000 2.546 54 I HA -0.098 4.073 4.170 0.001 0.000 0.255 54 I C 2.540 178.760 176.117 0.171 0.000 1.163 54 I CA 1.345 62.783 61.300 0.230 0.000 1.457 54 I CB -0.971 37.100 38.000 0.119 0.000 1.092 54 I HN 0.875 nan 8.210 nan 0.000 0.434 55 M N 0.713 120.393 119.600 0.132 0.000 2.346 55 M HA -0.165 4.316 4.480 0.001 0.000 0.263 55 M C 1.655 178.002 176.300 0.079 0.000 1.064 55 M CA 2.273 57.626 55.300 0.089 0.000 1.083 55 M CB -0.879 31.765 32.600 0.072 0.000 1.399 55 M HN 0.245 nan 8.290 nan 0.000 0.435 56 T N -2.968 111.646 114.554 0.099 0.000 3.086 56 T HA 0.171 4.522 4.350 0.001 0.000 0.250 56 T C -0.039 174.712 174.700 0.086 0.000 1.074 56 T CA -0.475 61.664 62.100 0.065 0.000 0.988 56 T CB -0.463 68.431 68.868 0.043 0.000 0.988 56 T HN 0.245 nan 8.240 nan 0.000 0.530 57 D N 3.742 124.228 120.400 0.143 0.000 2.458 57 D HA 0.165 4.806 4.640 0.001 0.000 0.243 57 D C -1.276 175.072 176.300 0.080 0.000 1.146 57 D CA -2.000 52.099 54.000 0.165 0.000 0.877 57 D CB 1.589 42.506 40.800 0.194 0.000 1.176 57 D HN 0.091 nan 8.370 nan 0.000 0.461 58 P HA -0.198 nan 4.420 nan 0.000 0.216 58 P C 1.033 178.342 177.300 0.015 0.000 1.153 58 P CA 1.292 64.403 63.100 0.019 0.000 0.858 58 P CB 0.106 31.845 31.700 0.064 0.000 0.789 59 E N -1.075 119.145 120.200 0.032 0.000 2.478 59 E HA -0.080 4.271 4.350 0.001 0.000 0.198 59 E C 1.532 178.139 176.600 0.012 0.000 1.046 59 E CA 0.738 57.147 56.400 0.016 0.000 0.870 59 E CB -0.687 29.018 29.700 0.009 0.000 0.818 59 E HN 0.222 nan 8.360 nan 0.000 0.527 60 M N 0.619 120.231 119.600 0.019 0.000 2.506 60 M HA 0.250 4.731 4.480 0.001 0.000 0.260 60 M C 0.912 177.222 176.300 0.016 0.000 1.104 60 M CA 0.394 55.705 55.300 0.019 0.000 1.112 60 M CB 0.060 32.680 32.600 0.033 0.000 1.401 60 M HN 0.169 nan 8.290 nan 0.000 0.473 61 A N -0.698 122.126 122.820 0.008 0.000 2.568 61 A HA 0.487 4.808 4.320 0.001 0.000 0.291 61 A C -0.159 177.421 177.584 -0.007 0.000 1.159 61 A CA -0.676 51.365 52.037 0.007 0.000 0.679 61 A CB 0.672 19.675 19.000 0.006 0.000 1.285 61 A HN 0.144 nan 8.150 nan 0.000 0.428 62 D N 0.202 120.601 120.400 -0.001 0.000 2.146 62 D HA 0.268 4.909 4.640 0.001 0.000 0.209 62 D C 0.853 177.125 176.300 -0.048 0.000 0.973 62 D CA 1.843 55.837 54.000 -0.010 0.000 0.860 62 D CB -0.036 40.773 40.800 0.015 0.000 1.015 62 D HN 0.730 nan 8.370 nan 0.000 0.465 63 A N 0.965 123.755 122.820 -0.050 0.000 2.323 63 A HA 0.508 4.829 4.320 0.001 0.000 0.305 63 A C -0.553 176.905 177.584 -0.210 0.000 1.275 63 A CA -0.506 51.442 52.037 -0.148 0.000 0.804 63 A CB 0.771 19.745 19.000 -0.043 0.000 1.152 63 A HN -0.081 nan 8.150 nan 0.000 0.487 64 T N 2.921 117.274 114.554 -0.335 0.000 2.753 64 T HA 0.451 4.802 4.350 0.001 0.000 0.297 64 T C -1.044 173.413 174.700 -0.406 0.000 0.981 64 T CA 0.262 62.208 62.100 -0.257 0.000 0.956 64 T CB -0.180 68.597 68.868 -0.152 0.000 0.936 64 T HN 0.404 nan 8.240 nan 0.000 0.463 65 Y N 2.522 122.787 120.300 -0.059 0.000 2.369 65 Y HA 0.450 5.001 4.550 0.001 0.000 0.337 65 Y C 0.531 176.394 175.900 -0.063 0.000 0.961 65 Y CA -1.117 56.941 58.100 -0.071 0.000 1.186 65 Y CB 0.682 39.102 38.460 -0.066 0.000 1.139 65 Y HN 0.572 nan 8.280 nan 0.000 0.494 66 I N 5.065 125.664 120.570 0.048 0.000 2.243 66 I HA 0.186 4.356 4.170 0.001 0.000 0.289 66 I C -0.294 175.833 176.117 0.018 0.000 1.140 66 I CA 0.117 61.424 61.300 0.012 0.000 1.289 66 I CB -0.214 37.766 38.000 -0.034 0.000 1.498 66 I HN 0.585 nan 8.210 nan 0.000 0.561 67 E N 5.257 125.476 120.200 0.032 0.000 2.416 67 E HA 0.460 4.810 4.350 0.001 0.000 0.273 67 E C -2.597 173.992 176.600 -0.018 0.000 0.935 67 E CA -2.080 54.319 56.400 -0.002 0.000 0.784 67 E CB 1.887 31.583 29.700 -0.006 0.000 1.301 67 E HN -0.001 nan 8.360 nan 0.000 0.454 68 P HA 0.092 nan 4.420 nan 0.000 0.264 68 P C 0.045 177.347 177.300 0.003 0.000 1.193 68 P CA 0.376 63.457 63.100 -0.031 0.000 0.763 68 P CB 0.180 31.845 31.700 -0.058 0.000 0.810 69 I N 3.394 123.975 120.570 0.019 0.000 2.212 69 I HA 0.074 4.244 4.170 0.001 0.000 0.285 69 I C 0.952 177.107 176.117 0.062 0.000 1.116 69 I CA 0.138 61.454 61.300 0.027 0.000 1.644 69 I CB -0.914 37.090 38.000 0.007 0.000 1.485 69 I HN 0.370 nan 8.210 nan 0.000 0.728 70 H N 4.969 124.020 119.070 -0.031 0.000 2.505 70 H HA 0.040 4.596 4.556 0.001 0.000 0.338 70 H C 0.678 175.987 175.328 -0.032 0.000 1.057 70 H CA -0.871 55.168 56.048 -0.016 0.000 1.202 70 H CB 1.310 31.020 29.762 -0.088 0.000 1.466 70 H HN 0.557 nan 8.280 nan 0.000 0.499 71 W N 5.459 126.621 121.300 -0.229 0.000 2.290 71 W HA -0.228 4.432 4.660 0.001 0.000 0.311 71 W C 0.483 177.041 176.519 0.064 0.000 1.238 71 W CA 1.495 58.790 57.345 -0.084 0.000 1.255 71 W CB -0.626 28.751 29.460 -0.138 0.000 1.145 71 W HN 0.647 nan 8.180 nan 0.000 0.506 72 E N 0.608 120.329 120.200 -0.798 0.000 2.153 72 E HA -0.146 4.204 4.350 0.001 0.000 0.194 72 E C 2.361 178.758 176.600 -0.338 0.000 0.988 72 E CA 1.714 57.630 56.400 -0.807 0.000 0.811 72 E CB -0.208 28.977 29.700 -0.859 0.000 0.746 72 E HN 0.183 nan 8.360 nan 0.000 0.466 73 V N 0.508 120.316 119.914 -0.176 0.000 2.488 73 V HA -0.160 3.960 4.120 0.001 0.000 0.246 73 V C 2.219 178.208 176.094 -0.176 0.000 1.046 73 V CA 0.895 63.091 62.300 -0.173 0.000 1.053 73 V CB 0.032 31.777 31.823 -0.130 0.000 0.679 73 V HN 0.118 nan 8.190 nan 0.000 0.458 74 V N 0.094 119.942 119.914 -0.111 0.000 2.343 74 V HA -0.261 3.859 4.120 0.001 0.000 0.247 74 V C 2.579 178.588 176.094 -0.143 0.000 1.051 74 V CA 2.238 64.472 62.300 -0.112 0.000 1.036 74 V CB -0.802 31.007 31.823 -0.023 0.000 0.654 74 V HN 0.470 nan 8.190 nan 0.000 0.451 75 R N 0.269 120.715 120.500 -0.091 0.000 2.113 75 R HA -0.229 4.112 4.340 0.001 0.000 0.244 75 R C 2.465 178.618 176.300 -0.244 0.000 1.142 75 R CA 1.750 57.786 56.100 -0.107 0.000 0.953 75 R CB -0.189 30.107 30.300 -0.006 0.000 0.860 75 R HN 0.371 nan 8.270 nan 0.000 0.438 76 K N 0.600 120.861 120.400 -0.233 0.000 2.044 76 K HA -0.163 4.157 4.320 0.001 0.000 0.210 76 K C 2.136 178.543 176.600 -0.323 0.000 1.049 76 K CA 1.416 57.554 56.287 -0.248 0.000 0.927 76 K CB -0.575 31.797 32.500 -0.214 0.000 0.713 76 K HN 0.364 nan 8.250 nan 0.000 0.443 77 I N 0.731 121.068 120.570 -0.387 0.000 2.208 77 I HA -0.271 3.900 4.170 0.001 0.000 0.245 77 I C 2.387 178.282 176.117 -0.371 0.000 1.097 77 I CA 1.089 62.080 61.300 -0.515 0.000 1.363 77 I CB -0.281 37.337 38.000 -0.636 0.000 1.051 77 I HN 0.056 nan 8.210 nan 0.000 0.413 78 I N 0.531 120.885 120.570 -0.360 0.000 2.142 78 I HA -0.322 3.849 4.170 0.001 0.000 0.240 78 I C 2.631 178.414 176.117 -0.557 0.000 1.078 78 I CA 1.474 62.543 61.300 -0.386 0.000 1.343 78 I CB -0.397 37.367 38.000 -0.394 0.000 1.046 78 I HN 0.283 nan 8.210 nan 0.000 0.405 79 E N 1.227 120.939 120.200 -0.812 0.000 2.065 79 E HA -0.349 4.001 4.350 0.001 0.000 0.201 79 E C 2.208 178.636 176.600 -0.287 0.000 1.016 79 E CA 2.072 57.989 56.400 -0.805 0.000 0.818 79 E CB -0.066 29.370 29.700 -0.439 0.000 0.749 79 E HN 0.326 nan 8.360 nan 0.000 0.453 80 K N -0.291 119.973 120.400 -0.226 0.000 2.217 80 K HA -0.110 4.210 4.320 0.001 0.000 0.202 80 K C 1.625 178.193 176.600 -0.054 0.000 1.051 80 K CA 1.179 57.405 56.287 -0.102 0.000 0.952 80 K CB 0.263 32.707 32.500 -0.094 0.000 0.736 80 K HN 0.040 nan 8.250 nan 0.000 0.453 81 E N 0.370 120.519 120.200 -0.086 0.000 2.389 81 E HA 0.047 4.397 4.350 0.001 0.000 0.199 81 E C -0.350 176.247 176.600 -0.005 0.000 0.978 81 E CA 0.037 56.432 56.400 -0.008 0.000 0.912 81 E CB 0.575 30.292 29.700 0.028 0.000 0.907 81 E HN 0.157 nan 8.360 nan 0.000 0.494 82 R N 0.754 121.228 120.500 -0.045 0.000 3.146 82 R HA -0.118 4.223 4.340 0.001 0.000 0.250 82 R C -2.488 173.835 176.300 0.039 0.000 0.912 82 R CA 0.253 56.365 56.100 0.020 0.000 0.633 82 R CB -2.622 27.722 30.300 0.073 0.000 1.180 82 R HN 0.214 nan 8.270 nan 0.000 0.464 83 P HA 0.172 nan 4.420 nan 0.000 0.278 83 P C 0.443 177.776 177.300 0.056 0.000 1.238 83 P CA -0.338 62.785 63.100 0.038 0.000 0.794 83 P CB 0.786 32.498 31.700 0.021 0.000 0.955 84 D N 0.468 120.903 120.400 0.059 0.000 2.194 84 D HA 0.086 4.727 4.640 0.001 0.000 0.204 84 D C 0.676 177.004 176.300 0.048 0.000 0.964 84 D CA 1.159 55.195 54.000 0.060 0.000 0.846 84 D CB 0.460 41.301 40.800 0.067 0.000 0.962 84 D HN 0.447 nan 8.370 nan 0.000 0.490 85 A N -0.130 122.711 122.820 0.036 0.000 2.594 85 A HA 0.566 4.887 4.320 0.001 0.000 0.291 85 A C -1.447 176.144 177.584 0.011 0.000 1.105 85 A CA -0.542 51.507 52.037 0.019 0.000 0.694 85 A CB 2.295 21.297 19.000 0.003 0.000 1.291 85 A HN -0.071 nan 8.150 nan 0.000 0.410 86 V N 1.279 121.197 119.914 0.007 0.000 2.540 86 V HA 0.690 4.811 4.120 0.001 0.000 0.302 86 V C -1.515 174.576 176.094 -0.005 0.000 1.035 86 V CA -0.670 61.632 62.300 0.003 0.000 0.873 86 V CB 1.455 33.283 31.823 0.009 0.000 0.992 86 V HN 1.020 nan 8.190 nan 0.000 0.428 87 L N 9.862 131.079 121.223 -0.010 0.000 2.276 87 L HA 0.752 5.093 4.340 0.001 0.000 0.286 87 L C -2.175 174.689 176.870 -0.010 0.000 1.024 87 L CA -1.251 53.581 54.840 -0.013 0.000 0.826 87 L CB 1.978 44.024 42.059 -0.022 0.000 1.211 87 L HN 0.522 nan 8.230 nan 0.000 0.422 88 P HA 0.164 nan 4.420 nan 0.000 0.280 88 P C 0.397 177.681 177.300 -0.027 0.000 1.431 88 P CA 0.066 63.156 63.100 -0.017 0.000 1.058 88 P CB 0.380 32.075 31.700 -0.008 0.000 1.521 89 T N -4.400 110.145 114.554 -0.016 0.000 3.107 89 T HA 0.226 4.576 4.350 0.001 0.000 0.249 89 T C 1.148 175.848 174.700 -0.001 0.000 1.096 89 T CA 0.134 62.227 62.100 -0.012 0.000 1.012 89 T CB -0.398 68.474 68.868 0.007 0.000 0.977 89 T HN -0.108 nan 8.240 nan 0.000 0.527 90 M N 1.250 120.847 119.600 -0.005 0.000 2.484 90 M HA 0.400 4.881 4.480 0.001 0.000 0.307 90 M C 1.035 177.338 176.300 0.005 0.000 1.149 90 M CA -0.024 55.302 55.300 0.044 0.000 0.972 90 M CB 0.803 33.427 32.600 0.040 0.000 1.400 90 M HN 0.413 nan 8.290 nan 0.000 0.508 91 G N -0.002 108.691 108.800 -0.179 0.000 4.716 91 G HA2 0.490 4.450 3.960 0.001 0.000 0.282 91 G HA3 0.490 4.450 3.960 0.001 0.000 0.282 91 G C 0.703 175.191 174.900 -0.687 0.000 1.173 91 G CA 0.094 45.003 45.100 -0.318 0.000 0.913 91 G HN 0.573 nan 8.290 nan 0.000 0.566 92 G N 0.842 108.846 108.800 -1.327 0.000 2.578 92 G HA2 -0.363 3.597 3.960 0.001 0.000 0.275 92 G HA3 -0.363 3.597 3.960 0.001 0.000 0.275 92 G C 0.961 175.587 174.900 -0.457 0.000 1.271 92 G CA 0.809 45.172 45.100 -1.230 0.000 0.941 92 G HN 0.616 nan 8.290 nan 0.000 0.564 93 Q N -1.073 118.556 119.800 -0.284 0.000 2.123 93 Q HA 0.079 4.419 4.340 0.001 0.000 0.199 93 Q C 2.920 178.862 176.000 -0.096 0.000 0.966 93 Q CA 2.559 58.284 55.803 -0.131 0.000 0.845 93 Q CB -0.686 28.012 28.738 -0.066 0.000 0.907 93 Q HN 0.703 nan 8.270 nan 0.000 0.439 94 T N 0.184 114.664 114.554 -0.125 0.000 2.685 94 T HA -0.257 4.093 4.350 0.001 0.000 0.268 94 T C 1.624 176.281 174.700 -0.072 0.000 1.034 94 T CA 1.595 63.646 62.100 -0.082 0.000 1.149 94 T CB -0.524 68.294 68.868 -0.084 0.000 0.860 94 T HN 0.476 nan 8.240 nan 0.000 0.449 95 A N 0.820 123.573 122.820 -0.111 0.000 1.872 95 A HA 0.094 4.415 4.320 0.001 0.000 0.214 95 A C 2.340 179.896 177.584 -0.046 0.000 1.187 95 A CA 0.987 52.976 52.037 -0.081 0.000 0.614 95 A CB -0.739 18.195 19.000 -0.109 0.000 0.826 95 A HN 0.455 nan 8.150 nan 0.000 0.442 96 L N -0.250 120.945 121.223 -0.047 0.000 1.989 96 L HA -0.244 4.097 4.340 0.001 0.000 0.211 96 L C 2.443 179.349 176.870 0.061 0.000 1.071 96 L CA 1.578 56.425 54.840 0.012 0.000 0.749 96 L CB -0.863 41.205 42.059 0.015 0.000 0.890 96 L HN 0.364 nan 8.230 nan 0.000 0.431 97 N N -0.295 118.442 118.700 0.062 0.000 2.036 97 N HA -0.246 4.495 4.740 0.001 0.000 0.195 97 N C 1.887 177.384 175.510 -0.021 0.000 1.037 97 N CA 1.757 54.834 53.050 0.044 0.000 0.855 97 N CB -1.048 37.452 38.487 0.021 0.000 1.033 97 N HN 0.380 nan 8.380 nan 0.000 0.423 98 C N 0.815 120.102 119.300 -0.022 0.000 2.411 98 C HA 0.067 4.528 4.460 0.001 0.000 0.279 98 C C 2.673 177.653 174.990 -0.016 0.000 1.288 98 C CA 1.060 60.066 59.018 -0.020 0.000 1.764 98 C CB -1.328 26.408 27.740 -0.007 0.000 1.974 98 C HN 0.471 nan 8.230 nan 0.000 0.498 99 A N -0.399 122.415 122.820 -0.011 0.000 1.929 99 A HA 0.042 4.362 4.320 0.001 0.000 0.216 99 A C 1.933 179.502 177.584 -0.025 0.000 1.176 99 A CA 1.254 53.287 52.037 -0.007 0.000 0.628 99 A CB -0.527 18.474 19.000 0.003 0.000 0.816 99 A HN 0.512 nan 8.150 nan 0.000 0.444 100 L N -0.442 120.760 121.223 -0.034 0.000 2.156 100 L HA -0.077 4.264 4.340 0.001 0.000 0.208 100 L C 2.366 179.148 176.870 -0.147 0.000 1.095 100 L CA 2.018 56.818 54.840 -0.068 0.000 0.770 100 L CB -0.485 41.549 42.059 -0.041 0.000 0.914 100 L HN 0.503 nan 8.230 nan 0.000 0.439 101 E N -0.164 119.925 120.200 -0.184 0.000 2.047 101 E HA -0.170 4.181 4.350 0.001 0.000 0.191 101 E C 2.209 178.606 176.600 -0.338 0.000 0.987 101 E CA 1.287 57.499 56.400 -0.313 0.000 0.799 101 E CB -0.302 29.185 29.700 -0.355 0.000 0.752 101 E HN 0.375 nan 8.360 nan 0.000 0.449 102 L N 0.542 121.663 121.223 -0.171 0.000 2.079 102 L HA -0.218 4.122 4.340 0.001 0.000 0.210 102 L C 2.597 179.427 176.870 -0.067 0.000 1.081 102 L CA 1.909 56.716 54.840 -0.055 0.000 0.752 102 L CB -0.575 41.511 42.059 0.046 0.000 0.896 102 L HN 0.303 nan 8.230 nan 0.000 0.433 103 E N 0.336 120.491 120.200 -0.075 0.000 2.047 103 E HA -0.245 4.106 4.350 0.001 0.000 0.191 103 E C 2.314 178.854 176.600 -0.100 0.000 0.987 103 E CA 1.086 57.451 56.400 -0.059 0.000 0.799 103 E CB -0.220 29.455 29.700 -0.041 0.000 0.752 103 E HN 0.199 nan 8.360 nan 0.000 0.449 104 R N -0.333 120.072 120.500 -0.158 0.000 2.081 104 R HA -0.088 4.253 4.340 0.001 0.000 0.235 104 R C 1.914 178.083 176.300 -0.218 0.000 1.131 104 R CA 1.566 57.554 56.100 -0.187 0.000 0.960 104 R CB -0.026 30.122 30.300 -0.252 0.000 0.856 104 R HN 0.274 nan 8.270 nan 0.000 0.436 105 Q N -0.606 119.003 119.800 -0.318 0.000 2.515 105 Q HA 0.024 4.365 4.340 0.001 0.000 0.212 105 Q C 0.892 176.822 176.000 -0.116 0.000 0.970 105 Q CA 0.924 56.520 55.803 -0.345 0.000 0.941 105 Q CB 0.469 28.744 28.738 -0.772 0.000 0.998 105 Q HN 0.647 nan 8.270 nan 0.000 0.518 106 G N 0.140 108.896 108.800 -0.073 0.000 2.168 106 G HA2 -0.302 3.659 3.960 0.001 0.000 0.257 106 G HA3 -0.302 3.659 3.960 0.001 0.000 0.257 106 G C 0.933 175.863 174.900 0.050 0.000 0.997 106 G CA 0.541 45.633 45.100 -0.013 0.000 0.708 106 G HN 0.343 nan 8.290 nan 0.000 0.520 107 V N 0.294 120.270 119.914 0.103 0.000 2.548 107 V HA -0.060 4.061 4.120 0.001 0.000 0.249 107 V C 2.873 179.106 176.094 0.233 0.000 1.055 107 V CA 2.035 64.473 62.300 0.230 0.000 1.065 107 V CB -0.369 31.629 31.823 0.291 0.000 0.681 107 V HN 0.511 nan 8.190 nan 0.000 0.462 108 L N 0.010 121.310 121.223 0.129 0.000 2.027 108 L HA -0.185 4.156 4.340 0.001 0.000 0.206 108 L C 2.581 179.505 176.870 0.090 0.000 1.074 108 L CA 2.069 56.975 54.840 0.109 0.000 0.745 108 L CB -0.615 41.478 42.059 0.058 0.000 0.898 108 L HN 0.377 nan 8.230 nan 0.000 0.433 109 E N 0.497 120.725 120.200 0.046 0.000 2.106 109 E HA -0.280 4.071 4.350 0.001 0.000 0.192 109 E C 2.110 178.695 176.600 -0.024 0.000 0.984 109 E CA 1.127 57.533 56.400 0.010 0.000 0.806 109 E CB 0.069 29.764 29.700 -0.009 0.000 0.750 109 E HN 0.432 nan 8.360 nan 0.000 0.458 110 E N -0.899 119.279 120.200 -0.036 0.000 2.153 110 E HA -0.171 4.180 4.350 0.001 0.000 0.194 110 E C 0.467 176.784 176.600 -0.471 0.000 0.988 110 E CA 0.930 57.191 56.400 -0.231 0.000 0.811 110 E CB 0.067 29.651 29.700 -0.194 0.000 0.746 110 E HN 0.301 nan 8.360 nan 0.000 0.466 111 F N -0.863 119.097 119.950 0.017 0.000 2.735 111 F HA 0.344 4.872 4.527 0.001 0.000 0.308 111 F C 0.908 176.716 175.800 0.014 0.000 1.112 111 F CA 0.139 58.148 58.000 0.015 0.000 1.235 111 F CB 1.342 40.351 39.000 0.015 0.000 1.027 111 F HN 0.031 nan 8.300 nan 0.000 0.528 112 G N 1.691 110.554 108.800 0.106 0.000 2.390 112 G HA2 -0.263 3.698 3.960 0.001 0.000 0.299 112 G HA3 -0.263 3.698 3.960 0.001 0.000 0.299 112 G C -0.127 174.825 174.900 0.087 0.000 1.002 112 G CA 0.204 45.347 45.100 0.071 0.000 0.979 112 G HN 0.186 nan 8.290 nan 0.000 0.513 113 V N 0.808 120.784 119.914 0.103 0.000 2.432 113 V HA 0.417 4.537 4.120 0.001 0.000 0.271 113 V C 0.908 177.034 176.094 0.052 0.000 1.046 113 V CA -0.055 62.293 62.300 0.081 0.000 0.945 113 V CB 1.354 33.230 31.823 0.087 0.000 0.992 113 V HN 0.369 nan 8.190 nan 0.000 0.471 114 T N 6.811 121.389 114.554 0.039 0.000 2.771 114 T HA 0.373 4.724 4.350 0.001 0.000 0.291 114 T C 0.015 174.725 174.700 0.017 0.000 0.954 114 T CA -0.235 61.880 62.100 0.026 0.000 1.045 114 T CB 0.788 69.670 68.868 0.023 0.000 0.917 114 T HN 0.595 nan 8.240 nan 0.000 0.484 115 M N 5.388 124.997 119.600 0.015 0.000 2.184 115 M HA 0.400 4.880 4.480 0.001 0.000 0.351 115 M C -0.345 175.958 176.300 0.005 0.000 1.395 115 M CA -0.292 55.014 55.300 0.010 0.000 1.117 115 M CB -0.067 32.540 32.600 0.012 0.000 1.708 115 M HN 0.627 nan 8.290 nan 0.000 0.468 116 I N 0.689 121.257 120.570 -0.003 0.000 3.023 116 I HA 0.936 5.106 4.170 0.001 0.000 0.312 116 I C 0.699 176.813 176.117 -0.004 0.000 1.056 116 I CA -0.279 61.017 61.300 -0.008 0.000 1.033 116 I CB 1.764 39.749 38.000 -0.025 0.000 1.233 116 I HN 0.811 nan 8.210 nan 0.000 0.462 117 G N 2.492 111.293 108.800 0.000 0.000 4.365 117 G HA2 -0.091 3.870 3.960 0.001 0.000 0.214 117 G HA3 -0.091 3.870 3.960 0.001 0.000 0.214 117 G C 0.096 175.004 174.900 0.013 0.000 1.450 117 G CA 0.336 45.440 45.100 0.008 0.000 0.937 117 G HN 1.695 nan 8.290 nan 0.000 0.625 118 A N -0.019 122.807 122.820 0.011 0.000 2.486 118 A HA 0.889 5.209 4.320 0.001 0.000 0.300 118 A C 0.094 177.687 177.584 0.014 0.000 1.048 118 A CA 0.955 53.000 52.037 0.014 0.000 0.696 118 A CB 1.313 20.320 19.000 0.012 0.000 1.278 118 A HN 1.993 nan 8.150 nan 0.000 0.405 119 T N -0.329 114.235 114.554 0.017 0.000 2.910 119 T HA 0.526 4.876 4.350 0.001 0.000 0.293 119 T C 1.414 176.129 174.700 0.026 0.000 1.015 119 T CA 0.194 62.305 62.100 0.019 0.000 1.094 119 T CB 1.364 70.243 68.868 0.018 0.000 0.968 119 T HN 1.715 nan 8.240 nan 0.000 0.521 120 A N 1.984 124.819 122.820 0.025 0.000 1.915 120 A HA -0.218 4.102 4.320 0.001 0.000 0.220 120 A C 2.000 179.614 177.584 0.049 0.000 1.198 120 A CA 2.516 54.575 52.037 0.036 0.000 0.647 120 A CB -1.490 17.523 19.000 0.021 0.000 0.825 120 A HN 1.054 nan 8.150 nan 0.000 0.456 121 D N -0.744 119.678 120.400 0.037 0.000 2.123 121 D HA -0.037 4.604 4.640 0.001 0.000 0.196 121 D C 2.014 178.342 176.300 0.047 0.000 0.992 121 D CA 1.707 55.732 54.000 0.041 0.000 0.833 121 D CB -0.197 40.620 40.800 0.027 0.000 0.954 121 D HN 0.395 nan 8.370 nan 0.000 0.455 122 A N 0.042 122.884 122.820 0.037 0.000 1.898 122 A HA -0.082 4.238 4.320 0.001 0.000 0.216 122 A C 2.388 179.991 177.584 0.031 0.000 1.181 122 A CA 1.041 53.098 52.037 0.034 0.000 0.620 122 A CB -0.754 18.262 19.000 0.026 0.000 0.819 122 A HN 0.368 nan 8.150 nan 0.000 0.442 123 I N -0.217 120.373 120.570 0.033 0.000 2.208 123 I HA -0.289 3.882 4.170 0.001 0.000 0.245 123 I C 2.291 178.418 176.117 0.017 0.000 1.097 123 I CA 2.104 63.414 61.300 0.016 0.000 1.363 123 I CB -0.432 37.599 38.000 0.053 0.000 1.051 123 I HN 0.452 nan 8.210 nan 0.000 0.413 124 D N 0.828 121.305 120.400 0.129 0.000 2.144 124 D HA -0.231 4.410 4.640 0.001 0.000 0.200 124 D C 2.208 178.577 176.300 0.115 0.000 0.978 124 D CA 1.211 55.348 54.000 0.229 0.000 0.833 124 D CB 0.031 40.967 40.800 0.226 0.000 0.961 124 D HN 0.070 nan 8.370 nan 0.000 0.470 125 K N -0.707 119.741 120.400 0.080 0.000 2.211 125 K HA -0.043 4.278 4.320 0.001 0.000 0.203 125 K C 1.730 178.397 176.600 0.111 0.000 1.050 125 K CA 1.063 57.398 56.287 0.081 0.000 0.945 125 K CB 0.003 32.540 32.500 0.062 0.000 0.732 125 K HN 0.192 nan 8.250 nan 0.000 0.451 126 A N 0.348 123.194 122.820 0.044 0.000 1.956 126 A HA 0.021 4.342 4.320 0.001 0.000 0.212 126 A C 1.641 179.109 177.584 -0.194 0.000 1.188 126 A CA 0.524 52.569 52.037 0.013 0.000 0.675 126 A CB 0.009 18.976 19.000 -0.055 0.000 0.845 126 A HN 0.152 nan 8.150 nan 0.000 0.455 127 E N 0.619 120.600 120.200 -0.367 0.000 2.299 127 E HA -0.051 4.299 4.350 0.001 0.000 0.193 127 E C -0.192 176.046 176.600 -0.603 0.000 0.998 127 E CA 0.259 56.183 56.400 -0.792 0.000 0.851 127 E CB -0.073 28.576 29.700 -1.752 0.000 0.795 127 E HN 0.540 nan 8.360 nan 0.000 0.492 128 D N 1.208 121.514 120.400 -0.157 0.000 2.365 128 D HA 0.036 4.677 4.640 0.001 0.000 0.237 128 D C 0.889 177.241 176.300 0.086 0.000 1.190 128 D CA -0.154 53.922 54.000 0.127 0.000 0.867 128 D CB 0.473 41.418 40.800 0.242 0.000 1.050 128 D HN -0.091 nan 8.370 nan 0.000 0.491 129 R N 2.952 123.490 120.500 0.063 0.000 2.170 129 R HA -0.161 4.180 4.340 0.001 0.000 0.242 129 R C 2.048 178.420 176.300 0.119 0.000 1.145 129 R CA 0.767 56.910 56.100 0.073 0.000 0.984 129 R CB 0.029 30.343 30.300 0.024 0.000 0.869 129 R HN 0.457 nan 8.270 nan 0.000 0.455 130 R N 1.093 121.657 120.500 0.107 0.000 2.062 130 R HA -0.059 4.282 4.340 0.001 0.000 0.231 130 R C 2.293 178.642 176.300 0.082 0.000 1.136 130 R CA 1.209 57.363 56.100 0.090 0.000 0.948 130 R CB -0.001 30.360 30.300 0.102 0.000 0.845 130 R HN 0.149 nan 8.270 nan 0.000 0.430 131 R N -0.594 119.963 120.500 0.096 0.000 2.105 131 R HA -0.177 4.164 4.340 0.001 0.000 0.239 131 R C 2.197 178.532 176.300 0.058 0.000 1.135 131 R CA 1.644 57.787 56.100 0.071 0.000 0.967 131 R CB -0.453 29.900 30.300 0.088 0.000 0.861 131 R HN 0.240 nan 8.270 nan 0.000 0.442 132 F N 1.823 121.761 119.950 -0.019 0.000 2.102 132 F HA -0.210 4.318 4.527 0.001 0.000 0.298 132 F C 1.885 177.667 175.800 -0.031 0.000 1.105 132 F CA 1.960 59.937 58.000 -0.037 0.000 1.239 132 F CB -0.291 38.672 39.000 -0.063 0.000 0.991 132 F HN -0.040 nan 8.300 nan 0.000 0.474 133 D N -0.568 119.857 120.400 0.043 0.000 2.178 133 D HA -0.163 4.478 4.640 0.001 0.000 0.201 133 D C 2.181 178.412 176.300 -0.116 0.000 0.980 133 D CA 1.251 55.227 54.000 -0.039 0.000 0.842 133 D CB -0.026 40.801 40.800 0.046 0.000 0.948 133 D HN 0.192 nan 8.370 nan 0.000 0.472 134 V N 0.534 120.397 119.914 -0.085 0.000 2.270 134 V HA -0.210 3.911 4.120 0.001 0.000 0.245 134 V C 2.526 178.541 176.094 -0.132 0.000 1.043 134 V CA 1.695 63.948 62.300 -0.079 0.000 1.014 134 V CB -0.881 30.920 31.823 -0.036 0.000 0.645 134 V HN 0.334 nan 8.190 nan 0.000 0.447 135 A N -0.104 122.601 122.820 -0.192 0.000 1.892 135 A HA -0.289 4.032 4.320 0.001 0.000 0.218 135 A C 2.231 179.654 177.584 -0.267 0.000 1.188 135 A CA 2.441 54.341 52.037 -0.227 0.000 0.631 135 A CB -0.548 18.278 19.000 -0.290 0.000 0.822 135 A HN 0.431 nan 8.150 nan 0.000 0.447 136 M N -0.505 118.851 119.600 -0.407 0.000 2.080 136 M HA -0.151 4.330 4.480 0.001 0.000 0.260 136 M C 2.103 178.308 176.300 -0.158 0.000 1.068 136 M CA 1.989 57.099 55.300 -0.317 0.000 1.109 136 M CB -1.290 31.092 32.600 -0.363 0.000 1.342 136 M HN 0.529 nan 8.290 nan 0.000 0.405 137 K N 0.488 120.810 120.400 -0.130 0.000 2.057 137 K HA -0.193 4.127 4.320 0.001 0.000 0.207 137 K C 2.158 178.721 176.600 -0.062 0.000 1.049 137 K CA 1.395 57.638 56.287 -0.074 0.000 0.931 137 K CB -0.043 32.422 32.500 -0.058 0.000 0.714 137 K HN 0.214 nan 8.250 nan 0.000 0.440 138 K N 1.110 121.466 120.400 -0.074 0.000 2.032 138 K HA -0.143 4.177 4.320 0.001 0.000 0.209 138 K C 1.968 178.538 176.600 -0.050 0.000 1.048 138 K CA 1.836 58.089 56.287 -0.057 0.000 0.927 138 K CB -0.212 32.249 32.500 -0.064 0.000 0.712 138 K HN 0.377 nan 8.250 nan 0.000 0.441 139 I N -2.686 117.845 120.570 -0.065 0.000 3.564 139 I HA 0.197 4.368 4.170 0.001 0.000 0.294 139 I C 0.669 176.767 176.117 -0.032 0.000 1.289 139 I CA 0.572 61.843 61.300 -0.047 0.000 1.325 139 I CB -0.374 37.597 38.000 -0.049 0.000 1.039 139 I HN 0.271 nan 8.210 nan 0.000 0.474 140 G N 2.416 111.196 108.800 -0.033 0.000 2.273 140 G HA2 -0.242 3.719 3.960 0.001 0.000 0.280 140 G HA3 -0.242 3.719 3.960 0.001 0.000 0.280 140 G C -0.176 174.721 174.900 -0.005 0.000 1.047 140 G CA 0.207 45.296 45.100 -0.017 0.000 0.869 140 G HN 0.471 nan 8.290 nan 0.000 0.502 141 L N -0.202 121.015 121.223 -0.009 0.000 2.322 141 L HA 0.494 4.834 4.340 0.001 0.000 0.281 141 L C 0.728 177.612 176.870 0.023 0.000 1.014 141 L CA -0.847 54.007 54.840 0.023 0.000 0.815 141 L CB 1.741 43.822 42.059 0.038 0.000 1.247 141 L HN 0.319 nan 8.230 nan 0.000 0.421 142 E N 1.706 121.941 120.200 0.058 0.000 2.383 142 E HA 0.235 4.586 4.350 0.001 0.000 0.264 142 E C -0.621 176.021 176.600 0.071 0.000 1.050 142 E CA -0.192 56.245 56.400 0.061 0.000 0.896 142 E CB 1.095 30.846 29.700 0.086 0.000 0.982 142 E HN 0.633 nan 8.360 nan 0.000 0.424 143 T N 0.129 114.709 114.554 0.044 0.000 2.906 143 T HA 0.703 5.054 4.350 0.001 0.000 0.295 143 T C -0.314 174.391 174.700 0.008 0.000 1.075 143 T CA -0.727 61.395 62.100 0.037 0.000 1.005 143 T CB 1.575 70.467 68.868 0.040 0.000 1.136 143 T HN 0.498 nan 8.240 nan 0.000 0.498 144 A N 1.929 124.738 122.820 -0.018 0.000 2.346 144 A HA 0.568 4.889 4.320 0.001 0.000 0.252 144 A C 0.679 178.240 177.584 -0.038 0.000 1.089 144 A CA -0.701 51.300 52.037 -0.060 0.000 0.797 144 A CB 0.086 19.020 19.000 -0.110 0.000 1.047 144 A HN 1.036 nan 8.150 nan 0.000 0.494 145 R N 0.480 120.952 120.500 -0.046 0.000 2.484 145 R HA 0.298 4.638 4.340 0.001 0.000 0.293 145 R C -0.246 176.031 176.300 -0.038 0.000 1.023 145 R CA 0.991 57.070 56.100 -0.036 0.000 1.037 145 R CB 0.026 30.302 30.300 -0.041 0.000 0.951 145 R HN 0.963 nan 8.270 nan 0.000 0.418 146 S N 2.089 117.773 115.700 -0.026 0.000 2.596 146 S HA 0.725 5.196 4.470 0.001 0.000 0.270 146 S C -0.729 173.861 174.600 -0.016 0.000 1.155 146 S CA -0.649 57.539 58.200 -0.020 0.000 0.827 146 S CB 1.927 65.121 63.200 -0.009 0.000 1.130 146 S HN 0.706 nan 8.310 nan 0.000 0.467 147 G N 0.473 109.265 108.800 -0.013 0.000 2.638 147 G HA2 0.626 4.587 3.960 0.001 0.000 0.302 147 G HA3 0.626 4.587 3.960 0.001 0.000 0.302 147 G C -0.979 173.905 174.900 -0.028 0.000 1.365 147 G CA -0.786 44.304 45.100 -0.016 0.000 0.987 147 G HN 0.684 nan 8.290 nan 0.000 0.495 148 I N 0.955 121.495 120.570 -0.050 0.000 2.532 148 I HA 0.571 4.742 4.170 0.001 0.000 0.292 148 I C 0.496 176.489 176.117 -0.207 0.000 1.014 148 I CA -0.361 60.866 61.300 -0.122 0.000 1.340 148 I CB 1.557 39.490 38.000 -0.112 0.000 1.422 148 I HN 0.596 nan 8.210 nan 0.000 0.528 149 A N 4.716 127.333 122.820 -0.338 0.000 2.488 149 A HA 0.609 4.929 4.320 0.001 0.000 0.298 149 A C -0.774 176.538 177.584 -0.453 0.000 1.044 149 A CA -0.468 51.391 52.037 -0.297 0.000 0.693 149 A CB 0.805 19.755 19.000 -0.083 0.000 1.272 149 A HN 0.860 nan 8.150 nan 0.000 0.402 150 H N 0.391 119.477 119.070 0.027 0.000 3.058 150 H HA 0.305 4.861 4.556 0.001 0.000 0.266 150 H C 0.617 175.956 175.328 0.018 0.000 1.135 150 H CA 0.856 56.916 56.048 0.019 0.000 1.174 150 H CB 1.149 30.920 29.762 0.015 0.000 1.581 150 H HN 0.796 nan 8.280 nan 0.000 0.553 151 T N -3.511 111.100 114.554 0.096 0.000 2.841 151 T HA 0.186 4.537 4.350 0.001 0.000 0.296 151 T C 0.796 175.530 174.700 0.056 0.000 1.166 151 T CA -0.953 61.192 62.100 0.075 0.000 1.007 151 T CB 1.700 70.615 68.868 0.078 0.000 1.253 151 T HN -0.023 nan 8.240 nan 0.000 0.511 152 M N 0.815 120.449 119.600 0.057 0.000 2.229 152 M HA 0.092 4.572 4.480 0.001 0.000 0.264 152 M C 2.071 178.433 176.300 0.103 0.000 1.063 152 M CA 1.994 57.338 55.300 0.073 0.000 1.114 152 M CB -0.842 31.798 32.600 0.067 0.000 1.387 152 M HN 0.887 nan 8.290 nan 0.000 0.420 153 E N -0.246 120.002 120.200 0.079 0.000 2.047 153 E HA -0.243 4.108 4.350 0.001 0.000 0.191 153 E C 1.862 178.505 176.600 0.071 0.000 0.987 153 E CA 1.610 58.053 56.400 0.072 0.000 0.799 153 E CB -0.293 29.439 29.700 0.054 0.000 0.752 153 E HN 0.675 nan 8.360 nan 0.000 0.449 154 E N 0.237 120.477 120.200 0.066 0.000 2.033 154 E HA -0.276 4.075 4.350 0.001 0.000 0.199 154 E C 2.087 178.728 176.600 0.067 0.000 1.011 154 E CA 1.244 57.675 56.400 0.052 0.000 0.815 154 E CB -0.257 29.470 29.700 0.045 0.000 0.755 154 E HN 0.427 nan 8.360 nan 0.000 0.451 155 A N 1.059 123.941 122.820 0.102 0.000 1.884 155 A HA -0.237 4.084 4.320 0.001 0.000 0.219 155 A C 2.213 179.982 177.584 0.308 0.000 1.197 155 A CA 1.653 53.818 52.037 0.213 0.000 0.637 155 A CB -0.956 18.155 19.000 0.185 0.000 0.827 155 A HN 0.220 nan 8.150 nan 0.000 0.450 156 L N -0.897 120.481 121.223 0.259 0.000 2.187 156 L HA -0.214 4.127 4.340 0.001 0.000 0.213 156 L C 3.011 179.864 176.870 -0.028 0.000 1.100 156 L CA 0.953 55.862 54.840 0.115 0.000 0.765 156 L CB -0.542 41.587 42.059 0.118 0.000 0.904 156 L HN 0.474 nan 8.230 nan 0.000 0.437 157 A N -0.171 122.653 122.820 0.007 0.000 1.855 157 A HA -0.127 4.193 4.320 0.001 0.000 0.215 157 A C 2.335 179.878 177.584 -0.068 0.000 1.191 157 A CA 1.641 53.659 52.037 -0.033 0.000 0.613 157 A CB -0.854 18.140 19.000 -0.009 0.000 0.829 157 A HN 0.143 nan 8.150 nan 0.000 0.442 158 V N 0.276 120.170 119.914 -0.033 0.000 2.282 158 V HA -0.333 3.787 4.120 0.001 0.000 0.249 158 V C 3.038 179.050 176.094 -0.135 0.000 1.057 158 V CA 2.164 64.435 62.300 -0.048 0.000 1.032 158 V CB -1.484 30.348 31.823 0.014 0.000 0.645 158 V HN 0.621 nan 8.190 nan 0.000 0.447 159 A N 0.018 122.704 122.820 -0.223 0.000 1.940 159 A HA -0.137 4.184 4.320 0.001 0.000 0.219 159 A C 2.405 179.677 177.584 -0.521 0.000 1.176 159 A CA 2.138 53.865 52.037 -0.516 0.000 0.631 159 A CB -0.759 17.609 19.000 -1.053 0.000 0.814 159 A HN 0.640 nan 8.150 nan 0.000 0.446 160 A N -0.586 122.022 122.820 -0.353 0.000 2.019 160 A HA -0.134 4.187 4.320 0.001 0.000 0.219 160 A C 1.822 179.273 177.584 -0.222 0.000 1.164 160 A CA 2.108 53.980 52.037 -0.277 0.000 0.644 160 A CB -0.427 18.470 19.000 -0.171 0.000 0.805 160 A HN 0.562 nan 8.150 nan 0.000 0.449 161 D N -0.730 119.555 120.400 -0.191 0.000 2.202 161 D HA -0.080 4.560 4.640 0.001 0.000 0.214 161 D C 1.995 178.205 176.300 -0.151 0.000 0.967 161 D CA 1.797 55.714 54.000 -0.139 0.000 0.871 161 D CB -0.036 40.706 40.800 -0.096 0.000 1.020 161 D HN 0.305 nan 8.370 nan 0.000 0.474 162 V N -2.246 117.563 119.914 -0.175 0.000 2.719 162 V HA 0.361 4.482 4.120 0.001 0.000 0.252 162 V C 1.267 177.237 176.094 -0.207 0.000 1.065 162 V CA 0.853 63.059 62.300 -0.157 0.000 1.086 162 V CB -1.071 30.683 31.823 -0.114 0.000 0.700 162 V HN 0.368 nan 8.190 nan 0.000 0.467 163 G N -0.345 108.241 108.800 -0.356 0.000 2.781 163 G HA2 -0.152 3.809 3.960 0.001 0.000 0.683 163 G HA3 -0.152 3.809 3.960 0.001 0.000 0.683 163 G C -0.769 173.886 174.900 -0.407 0.000 1.390 163 G CA -0.240 44.609 45.100 -0.418 0.000 0.850 163 G HN 0.564 nan 8.290 nan 0.000 0.557 164 F N 1.372 121.272 119.950 -0.083 0.000 2.425 164 F HA 0.592 5.120 4.527 0.001 0.000 0.331 164 F C -0.884 174.895 175.800 -0.035 0.000 1.085 164 F CA -1.691 56.265 58.000 -0.073 0.000 1.028 164 F CB 1.782 40.757 39.000 -0.042 0.000 1.177 164 F HN 0.459 nan 8.300 nan 0.000 0.487 165 P HA 0.269 nan 4.420 nan 0.000 0.274 165 P C -1.185 176.153 177.300 0.063 0.000 1.246 165 P CA -0.475 62.652 63.100 0.046 0.000 0.795 165 P CB 0.843 32.350 31.700 -0.322 0.000 1.006 166 C N -0.354 119.003 119.300 0.095 0.000 2.888 166 C HA 0.745 5.206 4.460 0.001 0.000 0.308 166 C C -0.643 174.374 174.990 0.046 0.000 1.213 166 C CA -0.956 58.108 59.018 0.076 0.000 1.461 166 C CB 0.134 27.944 27.740 0.116 0.000 1.934 166 C HN 0.372 nan 8.230 nan 0.000 0.474 167 I N 2.425 123.003 120.570 0.013 0.000 2.359 167 I HA 0.520 4.691 4.170 0.001 0.000 0.294 167 I C -0.004 176.124 176.117 0.019 0.000 0.987 167 I CA -0.645 60.651 61.300 -0.006 0.000 1.225 167 I CB 1.268 39.247 38.000 -0.036 0.000 1.366 167 I HN 0.590 nan 8.210 nan 0.000 0.466 168 I N 6.929 127.501 120.570 0.003 0.000 2.339 168 I HA 0.478 4.649 4.170 0.001 0.000 0.290 168 I C -0.112 175.986 176.117 -0.031 0.000 0.994 168 I CA -0.394 60.896 61.300 -0.018 0.000 1.191 168 I CB 0.569 38.525 38.000 -0.074 0.000 1.343 168 I HN 0.405 nan 8.210 nan 0.000 0.458 169 R N 6.715 127.198 120.500 -0.029 0.000 2.532 169 R HA 0.520 4.861 4.340 0.001 0.000 0.297 169 R C -2.772 173.510 176.300 -0.029 0.000 0.984 169 R CA -1.834 54.248 56.100 -0.030 0.000 0.884 169 R CB 1.973 32.251 30.300 -0.036 0.000 1.182 169 R HN 0.206 nan 8.270 nan 0.000 0.442 170 P HA 0.157 nan 4.420 nan 0.000 0.281 170 P C -0.575 176.731 177.300 0.011 0.000 1.249 170 P CA -0.381 62.716 63.100 -0.005 0.000 0.810 170 P CB 1.053 32.752 31.700 -0.001 0.000 1.008 171 S N 1.414 117.150 115.700 0.059 0.000 2.565 171 S HA 0.334 4.805 4.470 0.001 0.000 0.274 171 S C -0.084 174.652 174.600 0.228 0.000 1.309 171 S CA -0.030 58.241 58.200 0.118 0.000 1.043 171 S CB -0.811 62.516 63.200 0.211 0.000 0.939 171 S HN 0.418 nan 8.310 nan 0.000 0.504 172 F N 0.494 120.427 119.950 -0.029 0.000 3.080 172 F HA -0.227 4.301 4.527 0.001 0.000 0.292 172 F C 0.863 176.639 175.800 -0.040 0.000 0.891 172 F CA 0.906 58.885 58.000 -0.036 0.000 1.086 172 F CB -2.066 36.915 39.000 -0.032 0.000 1.095 172 F HN 0.647 nan 8.300 nan 0.000 0.633 173 T N -2.012 112.556 114.554 0.023 0.000 2.864 173 T HA 0.887 5.237 4.350 0.001 0.000 0.299 173 T C -0.251 174.430 174.700 -0.031 0.000 1.166 173 T CA -0.302 61.801 62.100 0.006 0.000 1.007 173 T CB 2.950 71.821 68.868 0.006 0.000 1.219 173 T HN 0.431 nan 8.240 nan 0.000 0.506 174 M N -0.396 119.192 119.600 -0.020 0.000 2.948 174 M HA 0.885 5.366 4.480 0.001 0.000 0.278 174 M C 0.929 177.229 176.300 -0.001 0.000 1.293 174 M CA 0.261 55.563 55.300 0.003 0.000 0.777 174 M CB 0.324 32.926 32.600 0.004 0.000 1.713 174 M HN 1.614 nan 8.290 nan 0.000 0.444 175 G N -1.057 107.757 108.800 0.024 0.000 2.168 175 G HA2 0.163 4.124 3.960 0.001 0.000 0.263 175 G HA3 0.163 4.124 3.960 0.001 0.000 0.263 175 G C 1.236 175.923 174.900 -0.355 0.000 0.977 175 G CA 0.895 45.856 45.100 -0.232 0.000 0.659 175 G HN 2.548 nan 8.290 nan 0.000 0.533 176 G N -1.412 107.338 108.800 -0.084 0.000 2.155 176 G HA2 -0.069 3.892 3.960 0.001 0.000 0.257 176 G HA3 -0.069 3.892 3.960 0.001 0.000 0.257 176 G C 0.502 175.366 174.900 -0.060 0.000 0.983 176 G CA 0.861 45.955 45.100 -0.009 0.000 0.676 176 G HN 1.836 nan 8.290 nan 0.000 0.528 177 S N -0.014 115.642 115.700 -0.075 0.000 2.525 177 S HA 0.438 4.908 4.470 0.001 0.000 0.285 177 S C 1.680 176.246 174.600 -0.056 0.000 1.283 177 S CA 1.153 59.306 58.200 -0.077 0.000 1.072 177 S CB 1.093 64.253 63.200 -0.066 0.000 0.867 177 S HN 2.090 nan 8.310 nan 0.000 0.492 178 G N 2.296 111.056 108.800 -0.067 0.000 2.179 178 G HA2 -0.179 3.782 3.960 0.001 0.000 0.260 178 G HA3 -0.179 3.782 3.960 0.001 0.000 0.260 178 G C 0.343 175.206 174.900 -0.063 0.000 0.977 178 G CA -0.036 45.027 45.100 -0.061 0.000 0.641 178 G HN 1.107 nan 8.290 nan 0.000 0.533 179 G N -1.327 107.441 108.800 -0.052 0.000 2.705 179 G HA2 1.001 4.961 3.960 0.001 0.000 0.299 179 G HA3 1.001 4.961 3.960 0.001 0.000 0.299 179 G C 0.272 175.150 174.900 -0.036 0.000 1.315 179 G CA 0.291 45.365 45.100 -0.044 0.000 1.045 179 G HN 1.708 nan 8.290 nan 0.000 0.517 180 G N -1.764 107.021 108.800 -0.026 0.000 2.317 180 G HA2 0.393 4.353 3.960 0.001 0.000 0.293 180 G HA3 0.393 4.353 3.960 0.001 0.000 0.293 180 G C -1.753 173.130 174.900 -0.028 0.000 1.287 180 G CA -0.852 44.240 45.100 -0.013 0.000 0.850 180 G HN 0.686 nan 8.290 nan 0.000 0.515 181 I N 1.193 121.739 120.570 -0.041 0.000 2.378 181 I HA 0.596 4.766 4.170 0.001 0.000 0.291 181 I C 0.490 176.476 176.117 -0.218 0.000 0.992 181 I CA -0.809 60.398 61.300 -0.154 0.000 1.154 181 I CB 1.982 39.847 38.000 -0.225 0.000 1.315 181 I HN 0.722 nan 8.210 nan 0.000 0.448 182 A N 5.728 128.436 122.820 -0.186 0.000 2.253 182 A HA 0.439 4.760 4.320 0.001 0.000 0.316 182 A C -0.359 176.996 177.584 -0.382 0.000 1.327 182 A CA -0.246 51.711 52.037 -0.133 0.000 0.917 182 A CB -0.022 19.123 19.000 0.241 0.000 1.162 182 A HN 0.751 nan 8.150 nan 0.000 0.535 183 Y N 1.726 121.904 120.300 -0.204 0.000 2.523 183 Y HA 0.087 4.638 4.550 0.002 0.000 0.279 183 Y C 0.849 176.386 175.900 -0.604 0.000 1.139 183 Y CA 0.814 58.765 58.100 -0.249 0.000 1.296 183 Y CB 0.164 38.553 38.460 -0.117 0.000 1.045 183 Y HN 0.909 nan 8.280 nan 0.000 0.538 184 N N -2.905 115.329 118.700 -0.776 0.000 3.116 184 N HA 0.175 4.915 4.740 0.001 0.000 0.244 184 N C 0.220 175.313 175.510 -0.695 0.000 1.485 184 N CA -1.004 51.513 53.050 -0.888 0.000 0.884 184 N CB 0.585 38.910 38.487 -0.269 0.000 1.415 184 N HN -0.228 nan 8.380 nan 0.000 0.524 185 R N -0.056 120.273 120.500 -0.284 0.000 2.103 185 R HA -0.202 4.139 4.340 0.001 0.000 0.242 185 R C 1.340 177.713 176.300 0.121 0.000 1.142 185 R CA 2.131 58.280 56.100 0.082 0.000 0.960 185 R CB -0.208 30.186 30.300 0.155 0.000 0.858 185 R HN 0.843 nan 8.270 nan 0.000 0.439 186 E N 0.318 120.539 120.200 0.036 0.000 2.051 186 E HA -0.225 4.126 4.350 0.001 0.000 0.192 186 E C 1.725 178.346 176.600 0.034 0.000 0.991 186 E CA 1.483 57.907 56.400 0.041 0.000 0.799 186 E CB 0.029 29.738 29.700 0.015 0.000 0.748 186 E HN 0.428 nan 8.360 nan 0.000 0.449 187 E N -0.237 119.963 120.200 0.000 0.000 2.051 187 E HA -0.198 4.153 4.350 0.001 0.000 0.192 187 E C 1.893 178.504 176.600 0.020 0.000 0.991 187 E CA 1.169 57.569 56.400 -0.000 0.000 0.799 187 E CB -0.276 29.413 29.700 -0.019 0.000 0.748 187 E HN 0.289 nan 8.360 nan 0.000 0.449 188 F N 2.036 121.926 119.950 -0.101 0.000 2.063 188 F HA -0.278 4.250 4.527 0.001 0.000 0.298 188 F C 2.088 177.897 175.800 0.016 0.000 1.109 188 F CA 1.873 59.864 58.000 -0.016 0.000 1.212 188 F CB 0.074 39.116 39.000 0.071 0.000 0.973 188 F HN -0.019 nan 8.300 nan 0.000 0.480 189 E N -0.448 119.797 120.200 0.075 0.000 2.150 189 E HA -0.232 4.118 4.350 0.001 0.000 0.193 189 E C 2.132 178.682 176.600 -0.084 0.000 0.985 189 E CA 1.012 57.403 56.400 -0.015 0.000 0.814 189 E CB -0.297 29.461 29.700 0.098 0.000 0.752 189 E HN 0.591 nan 8.360 nan 0.000 0.466 190 E N 1.158 121.321 120.200 -0.062 0.000 2.028 190 E HA -0.199 4.152 4.350 0.001 0.000 0.191 190 E C 2.125 178.661 176.600 -0.108 0.000 0.988 190 E CA 0.942 57.304 56.400 -0.063 0.000 0.799 190 E CB -0.034 29.644 29.700 -0.036 0.000 0.755 190 E HN 0.205 nan 8.360 nan 0.000 0.447 191 I N 0.851 121.335 120.570 -0.143 0.000 2.163 191 I HA -0.359 3.812 4.170 0.001 0.000 0.243 191 I C 2.777 178.767 176.117 -0.212 0.000 1.085 191 I CA 0.967 62.167 61.300 -0.168 0.000 1.347 191 I CB -0.388 37.512 38.000 -0.167 0.000 1.044 191 I HN 0.305 nan 8.210 nan 0.000 0.408 192 C N 0.761 119.859 119.300 -0.336 0.000 2.429 192 C HA -0.146 4.315 4.460 0.001 0.000 0.277 192 C C 3.209 178.100 174.990 -0.164 0.000 1.262 192 C CA 0.909 59.740 59.018 -0.311 0.000 1.733 192 C CB -1.318 26.143 27.740 -0.465 0.000 2.010 192 C HN 0.612 nan 8.230 nan 0.000 0.483 193 A N 0.290 123.032 122.820 -0.130 0.000 1.898 193 A HA -0.200 4.121 4.320 0.001 0.000 0.216 193 A C 2.243 179.783 177.584 -0.072 0.000 1.181 193 A CA 1.797 53.792 52.037 -0.070 0.000 0.620 193 A CB -0.570 18.404 19.000 -0.044 0.000 0.819 193 A HN 0.652 nan 8.150 nan 0.000 0.442 194 R N -0.681 119.763 120.500 -0.094 0.000 2.066 194 R HA -0.059 4.282 4.340 0.001 0.000 0.232 194 R C 2.319 178.576 176.300 -0.072 0.000 1.131 194 R CA 1.522 57.568 56.100 -0.091 0.000 0.955 194 R CB -0.753 29.488 30.300 -0.097 0.000 0.851 194 R HN 0.432 nan 8.270 nan 0.000 0.432 195 G N 1.249 110.001 108.800 -0.081 0.000 2.491 195 G HA2 -0.284 3.677 3.960 0.001 0.000 0.218 195 G HA3 -0.284 3.677 3.960 0.001 0.000 0.218 195 G C 1.465 176.342 174.900 -0.038 0.000 1.180 195 G CA 0.962 46.025 45.100 -0.063 0.000 0.774 195 G HN 0.255 nan 8.290 nan 0.000 0.562 196 L N 0.129 121.327 121.223 -0.041 0.000 2.013 196 L HA -0.147 4.194 4.340 0.001 0.000 0.212 196 L C 2.579 179.450 176.870 0.002 0.000 1.073 196 L CA 1.806 56.639 54.840 -0.011 0.000 0.753 196 L CB -0.367 41.688 42.059 -0.008 0.000 0.890 196 L HN 0.231 nan 8.230 nan 0.000 0.432 197 D N -0.693 119.702 120.400 -0.008 0.000 2.224 197 D HA -0.173 4.468 4.640 0.001 0.000 0.205 197 D C 1.947 178.248 176.300 0.001 0.000 0.965 197 D CA 0.515 54.517 54.000 0.003 0.000 0.852 197 D CB 0.213 41.014 40.800 0.002 0.000 0.947 197 D HN 0.090 nan 8.370 nan 0.000 0.494 198 L N -0.117 121.100 121.223 -0.010 0.000 2.209 198 L HA 0.176 4.517 4.340 0.001 0.000 0.207 198 L C 0.738 177.612 176.870 0.008 0.000 1.094 198 L CA 0.532 55.368 54.840 -0.006 0.000 0.790 198 L CB -0.495 41.550 42.059 -0.022 0.000 0.932 198 L HN -0.145 nan 8.230 nan 0.000 0.447 199 S N 0.308 116.016 115.700 0.014 0.000 2.544 199 S HA 0.072 4.542 4.470 0.001 0.000 0.290 199 S C -1.472 173.141 174.600 0.023 0.000 1.276 199 S CA -0.863 57.360 58.200 0.038 0.000 1.075 199 S CB 0.487 63.718 63.200 0.052 0.000 0.849 199 S HN 0.153 nan 8.310 nan 0.000 0.494 200 P HA 0.033 nan 4.420 nan 0.000 0.226 200 P C 0.911 178.142 177.300 -0.115 0.000 1.153 200 P CA 0.815 63.882 63.100 -0.056 0.000 0.777 200 P CB -0.083 31.564 31.700 -0.088 0.000 0.794 201 T N -5.251 109.264 114.554 -0.066 0.000 3.085 201 T HA 0.192 4.543 4.350 0.001 0.000 0.264 201 T C 0.765 175.479 174.700 0.023 0.000 1.019 201 T CA -0.514 61.545 62.100 -0.069 0.000 0.910 201 T CB -0.456 68.376 68.868 -0.060 0.000 1.059 201 T HN -0.104 nan 8.240 nan 0.000 0.542 202 K N 1.032 121.452 120.400 0.034 0.000 3.148 202 K HA -0.206 4.114 4.320 0.001 0.000 0.267 202 K C -0.556 176.128 176.600 0.140 0.000 0.996 202 K CA 0.737 57.063 56.287 0.065 0.000 0.737 202 K CB -1.187 31.340 32.500 0.046 0.000 1.308 202 K HN 0.864 nan 8.250 nan 0.000 0.470 203 E N 0.390 120.665 120.200 0.125 0.000 2.340 203 E HA 0.607 4.957 4.350 0.001 0.000 0.273 203 E C -1.016 175.597 176.600 0.022 0.000 0.891 203 E CA -0.909 55.561 56.400 0.117 0.000 0.757 203 E CB 1.215 31.026 29.700 0.184 0.000 1.231 203 E HN 0.252 nan 8.360 nan 0.000 0.439 204 L N 3.002 124.191 121.223 -0.056 0.000 2.388 204 L HA 0.585 4.926 4.340 0.001 0.000 0.264 204 L C -1.155 175.680 176.870 -0.060 0.000 0.998 204 L CA -1.200 53.610 54.840 -0.051 0.000 0.817 204 L CB 1.795 43.815 42.059 -0.066 0.000 1.338 204 L HN 0.471 nan 8.230 nan 0.000 0.414 205 L N 2.633 123.837 121.223 -0.032 0.000 2.341 205 L HA 0.671 5.012 4.340 0.001 0.000 0.278 205 L C -1.076 175.790 176.870 -0.006 0.000 1.005 205 L CA 0.016 54.843 54.840 -0.021 0.000 0.818 205 L CB 1.611 43.666 42.059 -0.007 0.000 1.259 205 L HN 0.408 nan 8.230 nan 0.000 0.418 206 I N 3.987 124.564 120.570 0.012 0.000 2.433 206 I HA 0.457 4.628 4.170 0.001 0.000 0.292 206 I C -1.028 175.102 176.117 0.020 0.000 1.001 206 I CA -0.331 60.998 61.300 0.048 0.000 1.119 206 I CB 1.769 39.845 38.000 0.125 0.000 1.289 206 I HN 0.626 nan 8.210 nan 0.000 0.438 207 D N 3.878 124.282 120.400 0.008 0.000 2.490 207 D HA 0.323 4.964 4.640 0.001 0.000 0.232 207 D C -0.777 175.499 176.300 -0.040 0.000 1.053 207 D CA -0.769 53.216 54.000 -0.026 0.000 0.914 207 D CB 1.203 41.977 40.800 -0.043 0.000 1.431 207 D HN 0.544 nan 8.370 nan 0.000 0.483 208 E N -0.365 119.795 120.200 -0.067 0.000 2.409 208 E HA 0.241 4.592 4.350 0.001 0.000 0.257 208 E C -0.331 176.203 176.600 -0.110 0.000 1.150 208 E CA -0.662 55.688 56.400 -0.084 0.000 0.942 208 E CB 0.743 30.388 29.700 -0.091 0.000 0.979 208 E HN 0.167 nan 8.360 nan 0.000 0.447 209 S N 1.193 116.830 115.700 -0.105 0.000 2.528 209 S HA 0.144 4.615 4.470 0.001 0.000 0.277 209 S C 0.293 174.756 174.600 -0.228 0.000 1.297 209 S CA -0.624 57.500 58.200 -0.127 0.000 1.052 209 S CB 0.018 63.176 63.200 -0.070 0.000 0.917 209 S HN 0.546 nan 8.310 nan 0.000 0.492 210 L N 5.377 126.420 121.223 -0.301 0.000 3.122 210 L HA 0.404 4.744 4.340 0.001 0.000 0.274 210 L C -0.055 176.646 176.870 -0.283 0.000 1.222 210 L CA -0.254 54.234 54.840 -0.587 0.000 1.028 210 L CB 0.076 41.702 42.059 -0.722 0.000 1.386 210 L HN 0.607 nan 8.230 nan 0.000 0.578 211 I N 1.236 121.746 120.570 -0.100 0.000 2.752 211 I HA -0.035 4.136 4.170 0.001 0.000 0.289 211 I C 1.467 177.645 176.117 0.101 0.000 1.197 211 I CA 1.432 62.742 61.300 0.016 0.000 1.432 211 I CB 0.470 38.495 38.000 0.041 0.000 1.359 211 I HN 0.465 nan 8.210 nan 0.000 0.571 212 G N 4.482 113.364 108.800 0.137 0.000 2.232 212 G HA2 -0.217 3.743 3.960 0.001 0.000 0.226 212 G HA3 -0.217 3.743 3.960 0.001 0.000 0.226 212 G C -0.212 174.881 174.900 0.321 0.000 0.996 212 G CA -0.661 44.544 45.100 0.176 0.000 0.626 212 G HN 0.488 nan 8.290 nan 0.000 0.509 213 W N 1.857 123.191 121.300 0.057 0.000 2.215 213 W HA 0.680 5.341 4.660 0.001 0.000 0.342 213 W C 0.980 177.549 176.519 0.083 0.000 1.237 213 W CA -0.851 56.546 57.345 0.088 0.000 1.283 213 W CB 0.489 30.005 29.460 0.093 0.000 1.131 213 W HN -0.043 nan 8.180 nan 0.000 0.606 214 K N 1.502 122.082 120.400 0.300 0.000 2.295 214 K HA 0.082 4.402 4.320 0.001 0.000 0.270 214 K C -0.329 176.382 176.600 0.185 0.000 1.011 214 K CA -0.084 56.312 56.287 0.182 0.000 0.953 214 K CB 0.752 33.385 32.500 0.221 0.000 0.956 214 K HN 0.422 nan 8.250 nan 0.000 0.477 215 E N 2.411 122.599 120.200 -0.020 0.000 2.210 215 E HA 0.282 4.633 4.350 0.001 0.000 0.266 215 E C -1.632 174.851 176.600 -0.195 0.000 0.883 215 E CA -0.564 55.850 56.400 0.024 0.000 0.761 215 E CB 0.797 30.512 29.700 0.024 0.000 1.156 215 E HN 0.357 nan 8.360 nan 0.000 0.412 216 Y N 1.405 121.807 120.300 0.169 0.000 2.576 216 Y HA 0.450 5.000 4.550 0.001 0.000 0.346 216 Y C -0.439 175.579 175.900 0.196 0.000 1.018 216 Y CA -0.800 57.401 58.100 0.169 0.000 1.050 216 Y CB 2.365 40.918 38.460 0.155 0.000 1.280 216 Y HN 0.450 nan 8.280 nan 0.000 0.474 217 E N 1.881 122.289 120.200 0.347 0.000 2.356 217 E HA 0.610 4.960 4.350 0.001 0.000 0.275 217 E C -1.561 175.169 176.600 0.216 0.000 0.904 217 E CA -0.965 55.579 56.400 0.240 0.000 0.757 217 E CB 3.170 32.941 29.700 0.118 0.000 1.232 217 E HN 0.461 nan 8.360 nan 0.000 0.442 218 M N 1.664 121.378 119.600 0.189 0.000 2.326 218 M HA 0.288 4.769 4.480 0.001 0.000 0.306 218 M C -1.071 175.270 176.300 0.068 0.000 1.054 218 M CA -0.843 54.525 55.300 0.114 0.000 0.922 218 M CB 2.192 34.859 32.600 0.111 0.000 1.632 218 M HN 0.338 nan 8.290 nan 0.000 0.436 219 E N 3.040 123.256 120.200 0.028 0.000 2.146 219 E HA 0.494 4.845 4.350 0.001 0.000 0.282 219 E C -1.122 175.455 176.600 -0.040 0.000 0.989 219 E CA -0.265 56.135 56.400 0.001 0.000 0.799 219 E CB 1.742 31.438 29.700 -0.007 0.000 1.088 219 E HN 0.366 nan 8.360 nan 0.000 0.397 220 V N 2.441 122.338 119.914 -0.027 0.000 2.864 220 V HA 0.547 4.668 4.120 0.001 0.000 0.314 220 V C -0.060 176.012 176.094 -0.037 0.000 1.073 220 V CA -0.951 61.325 62.300 -0.039 0.000 0.956 220 V CB 2.291 34.113 31.823 -0.002 0.000 1.023 220 V HN 0.342 nan 8.190 nan 0.000 0.435 221 V N 3.340 123.225 119.914 -0.047 0.000 2.709 221 V HA 0.674 4.794 4.120 0.001 0.000 0.308 221 V C -0.371 175.733 176.094 0.016 0.000 1.062 221 V CA -0.696 61.600 62.300 -0.008 0.000 0.901 221 V CB 2.041 33.858 31.823 -0.010 0.000 1.003 221 V HN 0.933 nan 8.190 nan 0.000 0.425 222 R N 2.446 122.969 120.500 0.038 0.000 2.673 222 R HA 0.637 4.977 4.340 0.001 0.000 0.281 222 R C -1.659 174.675 176.300 0.056 0.000 0.991 222 R CA -0.481 55.644 56.100 0.043 0.000 0.896 222 R CB 2.158 32.478 30.300 0.033 0.000 1.201 222 R HN 0.952 nan 8.270 nan 0.000 0.457 223 D N 1.763 122.199 120.400 0.060 0.000 2.449 223 D HA 0.142 4.783 4.640 0.001 0.000 0.250 223 D C 0.451 176.782 176.300 0.051 0.000 1.050 223 D CA -0.856 53.184 54.000 0.066 0.000 1.024 223 D CB 1.096 41.947 40.800 0.084 0.000 1.218 223 D HN 0.588 nan 8.370 nan 0.000 0.566 224 K N -0.449 119.981 120.400 0.049 0.000 2.280 224 K HA -0.090 4.230 4.320 0.001 0.000 0.202 224 K C 0.379 176.999 176.600 0.033 0.000 1.047 224 K CA 0.926 57.235 56.287 0.036 0.000 0.942 224 K CB -0.364 32.153 32.500 0.030 0.000 0.739 224 K HN 0.117 nan 8.250 nan 0.000 0.457 225 N N 1.347 120.071 118.700 0.040 0.000 2.370 225 N HA -0.043 4.698 4.740 0.001 0.000 0.198 225 N C -0.563 174.969 175.510 0.035 0.000 1.156 225 N CA 0.738 53.809 53.050 0.036 0.000 0.839 225 N CB 0.141 38.652 38.487 0.041 0.000 0.989 225 N HN 0.353 nan 8.380 nan 0.000 0.468 226 D N -0.666 119.755 120.400 0.035 0.000 3.079 226 D HA -0.178 4.463 4.640 0.001 0.000 0.214 226 D C -0.848 175.473 176.300 0.036 0.000 1.145 226 D CA 0.527 54.546 54.000 0.032 0.000 0.958 226 D CB -1.338 39.477 40.800 0.025 0.000 1.117 226 D HN 0.172 nan 8.370 nan 0.000 0.416 227 N N 0.318 119.045 118.700 0.045 0.000 2.518 227 N HA 0.320 5.060 4.740 0.001 0.000 0.266 227 N C -0.283 175.255 175.510 0.047 0.000 1.196 227 N CA 0.240 53.320 53.050 0.051 0.000 0.947 227 N CB 1.331 39.858 38.487 0.067 0.000 1.098 227 N HN 0.338 nan 8.380 nan 0.000 0.450 228 C N 3.548 122.871 119.300 0.038 0.000 2.701 228 C HA 0.701 5.162 4.460 0.001 0.000 0.336 228 C C -0.851 174.143 174.990 0.006 0.000 1.123 228 C CA -0.751 58.281 59.018 0.024 0.000 1.326 228 C CB -0.383 27.369 27.740 0.019 0.000 1.833 228 C HN 0.743 nan 8.230 nan 0.000 0.473 229 I N 3.437 123.992 120.570 -0.024 0.000 2.828 229 I HA 0.659 4.829 4.170 0.001 0.000 0.302 229 I C -0.927 175.120 176.117 -0.117 0.000 1.101 229 I CA -0.905 60.353 61.300 -0.070 0.000 1.031 229 I CB 1.673 39.606 38.000 -0.112 0.000 1.231 229 I HN 0.304 nan 8.210 nan 0.000 0.427 230 I N 4.975 125.478 120.570 -0.112 0.000 2.322 230 I HA 0.122 4.293 4.170 0.001 0.000 0.292 230 I C 1.188 177.177 176.117 -0.213 0.000 1.060 230 I CA -0.205 61.027 61.300 -0.113 0.000 1.309 230 I CB 1.230 39.207 38.000 -0.039 0.000 1.415 230 I HN 0.596 nan 8.210 nan 0.000 0.492 231 V N 5.435 125.169 119.914 -0.300 0.000 2.379 231 V HA -0.114 4.007 4.120 0.001 0.000 0.245 231 V C 0.829 176.789 176.094 -0.225 0.000 1.044 231 V CA 1.195 63.221 62.300 -0.456 0.000 1.036 231 V CB 0.151 31.611 31.823 -0.604 0.000 0.664 231 V HN 0.887 nan 8.190 nan 0.000 0.453 232 C N -0.156 119.084 119.300 -0.101 0.000 3.171 232 C HA 0.624 5.084 4.460 0.001 0.000 0.336 232 C C -0.101 174.919 174.990 0.051 0.000 1.198 232 C CA -0.466 58.548 59.018 -0.008 0.000 1.319 232 C CB 1.349 29.096 27.740 0.012 0.000 1.682 232 C HN 0.505 nan 8.230 nan 0.000 0.497 233 S N 3.851 119.619 115.700 0.113 0.000 2.593 233 S HA 0.903 5.374 4.470 0.001 0.000 0.297 233 S C -0.994 173.710 174.600 0.173 0.000 1.112 233 S CA -0.563 57.737 58.200 0.167 0.000 1.043 233 S CB 1.299 64.673 63.200 0.291 0.000 1.054 233 S HN 0.713 nan 8.310 nan 0.000 0.516 234 I N 0.982 121.675 120.570 0.206 0.000 2.607 234 I HA 0.400 4.570 4.170 0.001 0.000 0.290 234 I C -0.772 175.461 176.117 0.194 0.000 1.129 234 I CA -0.331 61.073 61.300 0.174 0.000 1.042 234 I CB 2.350 40.423 38.000 0.121 0.000 1.242 234 I HN 0.848 nan 8.210 nan 0.000 0.421 235 E N 6.396 126.675 120.200 0.132 0.000 2.145 235 E HA 0.350 4.700 4.350 0.001 0.000 0.270 235 E C -0.943 175.642 176.600 -0.024 0.000 0.906 235 E CA -0.602 55.759 56.400 -0.065 0.000 0.761 235 E CB 1.080 30.827 29.700 0.078 0.000 1.116 235 E HN 0.537 nan 8.360 nan 0.000 0.408 236 N N 4.211 122.836 118.700 -0.124 0.000 2.513 236 N HA 0.032 4.772 4.740 0.001 0.000 0.268 236 N C 0.206 175.694 175.510 -0.036 0.000 1.180 236 N CA -0.064 52.964 53.050 -0.036 0.000 0.948 236 N CB 0.623 39.090 38.487 -0.034 0.000 1.083 236 N HN 0.548 nan 8.380 nan 0.000 0.455 237 F N 2.178 121.968 119.950 -0.267 0.000 2.149 237 F HA -0.000 4.527 4.527 0.001 0.000 0.294 237 F C 0.577 176.235 175.800 -0.237 0.000 1.095 237 F CA 0.761 58.436 58.000 -0.541 0.000 1.276 237 F CB 0.259 38.939 39.000 -0.533 0.000 1.023 237 F HN 0.385 nan 8.300 nan 0.000 0.480 238 D N 1.962 122.435 120.400 0.121 0.000 2.383 238 D HA 0.258 4.899 4.640 0.001 0.000 0.252 238 D C 0.494 176.800 176.300 0.011 0.000 1.166 238 D CA 0.421 54.459 54.000 0.063 0.000 0.879 238 D CB 1.314 42.217 40.800 0.171 0.000 1.164 238 D HN 0.337 nan 8.370 nan 0.000 0.462 239 A N 3.492 126.307 122.820 -0.008 0.000 2.261 239 A HA 0.155 4.476 4.320 0.001 0.000 0.275 239 A C 0.787 178.403 177.584 0.055 0.000 1.246 239 A CA -0.380 51.674 52.037 0.029 0.000 0.810 239 A CB 0.189 19.211 19.000 0.036 0.000 1.168 239 A HN 0.527 nan 8.150 nan 0.000 0.506 240 M N -0.161 119.493 119.600 0.089 0.000 2.252 240 M HA 0.281 4.762 4.480 0.001 0.000 0.348 240 M C 1.355 177.686 176.300 0.052 0.000 1.334 240 M CA 1.820 57.164 55.300 0.073 0.000 1.071 240 M CB -0.281 32.381 32.600 0.104 0.000 1.763 240 M HN 1.435 nan 8.290 nan 0.000 0.452 241 G N 3.783 112.605 108.800 0.036 0.000 2.253 241 G HA2 -0.156 3.805 3.960 0.001 0.000 0.209 241 G HA3 -0.156 3.805 3.960 0.001 0.000 0.209 241 G C 0.068 175.015 174.900 0.078 0.000 0.997 241 G CA -0.611 44.518 45.100 0.048 0.000 0.640 241 G HN 0.568 nan 8.290 nan 0.000 0.496 242 I N 2.358 122.979 120.570 0.084 0.000 2.355 242 I HA 0.315 4.485 4.170 0.001 0.000 0.288 242 I C 0.719 176.919 176.117 0.138 0.000 0.999 242 I CA -1.032 60.344 61.300 0.127 0.000 1.163 242 I CB 1.246 39.325 38.000 0.133 0.000 1.316 242 I HN 0.146 nan 8.210 nan 0.000 0.454 243 H N 4.976 124.095 119.070 0.082 0.000 3.073 243 H HA -0.084 4.473 4.556 0.001 0.000 0.340 243 H C 1.107 176.475 175.328 0.066 0.000 1.054 243 H CA 1.318 57.403 56.048 0.062 0.000 1.372 243 H CB 1.233 31.031 29.762 0.059 0.000 1.314 243 H HN 0.835 nan 8.280 nan 0.000 0.603 244 T N 0.622 115.071 114.554 -0.176 0.000 2.759 244 T HA -0.128 4.222 4.350 0.001 0.000 0.269 244 T C 2.139 176.941 174.700 0.171 0.000 1.042 244 T CA 1.063 63.158 62.100 -0.007 0.000 1.140 244 T CB -0.623 68.190 68.868 -0.091 0.000 0.864 244 T HN 0.628 nan 8.240 nan 0.000 0.455 245 G N 0.908 109.977 108.800 0.449 0.000 2.443 245 G HA2 -0.059 3.901 3.960 0.001 0.000 0.219 245 G HA3 -0.059 3.901 3.960 0.001 0.000 0.219 245 G C 1.034 176.021 174.900 0.145 0.000 1.131 245 G CA 0.627 45.883 45.100 0.259 0.000 0.775 245 G HN 0.483 nan 8.290 nan 0.000 0.547 246 D N -0.168 120.371 120.400 0.231 0.000 2.363 246 D HA 0.231 4.871 4.640 0.001 0.000 0.214 246 D C 0.665 177.148 176.300 0.306 0.000 1.093 246 D CA 0.001 54.164 54.000 0.271 0.000 0.837 246 D CB 0.647 41.691 40.800 0.407 0.000 0.948 246 D HN 0.086 nan 8.370 nan 0.000 0.507 247 S N -0.139 115.681 115.700 0.199 0.000 2.654 247 S HA 0.454 4.924 4.470 0.001 0.000 0.283 247 S C 0.432 175.092 174.600 0.100 0.000 1.180 247 S CA -0.652 57.647 58.200 0.164 0.000 1.021 247 S CB 1.660 64.934 63.200 0.123 0.000 1.018 247 S HN 0.046 nan 8.310 nan 0.000 0.532 248 I N 2.627 123.246 120.570 0.081 0.000 2.371 248 I HA 0.271 4.442 4.170 0.001 0.000 0.290 248 I C 0.535 176.659 176.117 0.012 0.000 1.028 248 I CA -0.019 61.252 61.300 -0.048 0.000 1.345 248 I CB 0.969 38.770 38.000 -0.332 0.000 1.407 248 I HN 0.666 nan 8.210 nan 0.000 0.501 249 T N 3.962 118.515 114.554 -0.001 0.000 2.906 249 T HA 0.758 5.109 4.350 0.001 0.000 0.295 249 T C -0.568 174.162 174.700 0.051 0.000 1.061 249 T CA -0.742 61.379 62.100 0.035 0.000 1.000 249 T CB 1.954 70.848 68.868 0.043 0.000 1.103 249 T HN 0.420 nan 8.240 nan 0.000 0.486 250 V N -1.103 118.875 119.914 0.107 0.000 2.962 250 V HA 1.024 5.144 4.120 0.001 0.000 0.313 250 V C -0.534 175.647 176.094 0.144 0.000 1.099 250 V CA -1.163 61.226 62.300 0.148 0.000 0.971 250 V CB 1.257 33.243 31.823 0.272 0.000 1.028 250 V HN 1.551 nan 8.190 nan 0.000 0.430 251 A N 4.637 127.532 122.820 0.123 0.000 2.355 251 A HA 1.045 5.366 4.320 0.001 0.000 0.317 251 A C -2.790 174.843 177.584 0.082 0.000 1.094 251 A CA -1.774 50.326 52.037 0.104 0.000 0.764 251 A CB 1.852 20.903 19.000 0.085 0.000 1.230 251 A HN 0.813 nan 8.150 nan 0.000 0.448 252 P HA 0.512 nan 4.420 nan 0.000 0.321 252 P C 0.080 177.445 177.300 0.108 0.000 1.304 252 P CA -0.278 62.864 63.100 0.070 0.000 0.759 252 P CB 0.671 32.374 31.700 0.006 0.000 1.385 253 A N 0.162 123.083 122.820 0.168 0.000 2.520 253 A HA 0.068 4.389 4.320 0.001 0.000 0.235 253 A C 1.162 178.761 177.584 0.024 0.000 1.065 253 A CA 0.322 52.494 52.037 0.225 0.000 0.764 253 A CB -0.343 18.868 19.000 0.353 0.000 1.002 253 A HN 0.464 nan 8.150 nan 0.000 0.502 254 Q N 0.238 119.990 119.800 -0.079 0.000 2.548 254 Q HA 0.009 4.349 4.340 0.001 0.000 0.230 254 Q C 1.531 177.220 176.000 -0.518 0.000 0.899 254 Q CA 1.751 57.269 55.803 -0.475 0.000 0.936 254 Q CB -0.337 27.787 28.738 -1.023 0.000 1.114 254 Q HN 0.989 nan 8.270 nan 0.000 0.606 255 T N -1.491 112.874 114.554 -0.315 0.000 3.186 255 T HA 0.430 4.781 4.350 0.001 0.000 0.257 255 T C 0.602 175.249 174.700 -0.089 0.000 1.029 255 T CA -0.137 61.816 62.100 -0.245 0.000 0.916 255 T CB -0.278 68.487 68.868 -0.172 0.000 1.041 255 T HN -0.093 nan 8.240 nan 0.000 0.562 256 L N 2.943 124.125 121.223 -0.068 0.000 2.307 256 L HA 0.460 4.801 4.340 0.001 0.000 0.282 256 L C 0.926 177.743 176.870 -0.088 0.000 1.051 256 L CA -0.976 53.810 54.840 -0.090 0.000 0.804 256 L CB 1.527 43.514 42.059 -0.119 0.000 1.197 256 L HN 0.324 nan 8.230 nan 0.000 0.431 257 T N -2.514 111.990 114.554 -0.083 0.000 2.828 257 T HA 0.017 4.368 4.350 0.001 0.000 0.290 257 T C 0.731 175.399 174.700 -0.055 0.000 1.019 257 T CA -0.614 61.441 62.100 -0.076 0.000 1.031 257 T CB 1.326 70.154 68.868 -0.068 0.000 1.001 257 T HN 0.653 nan 8.240 nan 0.000 0.531 258 D N 0.501 120.864 120.400 -0.062 0.000 2.133 258 D HA -0.143 4.498 4.640 0.001 0.000 0.195 258 D C 1.954 178.253 176.300 -0.001 0.000 0.997 258 D CA 1.548 55.520 54.000 -0.046 0.000 0.840 258 D CB -0.098 40.663 40.800 -0.065 0.000 0.947 258 D HN 0.665 nan 8.370 nan 0.000 0.452 259 K N -0.115 120.269 120.400 -0.027 0.000 2.063 259 K HA -0.178 4.142 4.320 0.001 0.000 0.208 259 K C 2.194 178.766 176.600 -0.047 0.000 1.048 259 K CA 1.540 57.807 56.287 -0.033 0.000 0.928 259 K CB -0.090 32.386 32.500 -0.041 0.000 0.713 259 K HN 0.336 nan 8.250 nan 0.000 0.442 260 E N -0.450 119.713 120.200 -0.061 0.000 2.107 260 E HA -0.189 4.161 4.350 0.001 0.000 0.191 260 E C 1.821 178.331 176.600 -0.152 0.000 0.982 260 E CA 0.865 57.194 56.400 -0.118 0.000 0.809 260 E CB -0.141 29.470 29.700 -0.148 0.000 0.756 260 E HN 0.312 nan 8.360 nan 0.000 0.459 261 Y N 2.036 122.209 120.300 -0.213 0.000 2.181 261 Y HA -0.258 4.292 4.550 0.001 0.000 0.288 261 Y C 2.279 178.064 175.900 -0.191 0.000 1.146 261 Y CA 1.542 59.507 58.100 -0.224 0.000 1.164 261 Y CB 0.181 38.536 38.460 -0.175 0.000 0.982 261 Y HN -0.035 nan 8.280 nan 0.000 0.515 262 Q N 0.199 120.017 119.800 0.030 0.000 2.079 262 Q HA -0.155 4.185 4.340 0.001 0.000 0.200 262 Q C 2.465 178.388 176.000 -0.129 0.000 0.974 262 Q CA 1.823 57.612 55.803 -0.022 0.000 0.840 262 Q CB -0.560 28.188 28.738 0.016 0.000 0.898 262 Q HN 0.607 nan 8.270 nan 0.000 0.430 263 I N 0.606 121.091 120.570 -0.143 0.000 2.264 263 I HA -0.289 3.881 4.170 0.001 0.000 0.248 263 I C 2.520 178.486 176.117 -0.251 0.000 1.111 263 I CA 1.115 62.320 61.300 -0.159 0.000 1.382 263 I CB -0.239 37.671 38.000 -0.150 0.000 1.060 263 I HN 0.220 nan 8.210 nan 0.000 0.418 264 M N 0.385 119.739 119.600 -0.409 0.000 2.200 264 M HA -0.197 4.284 4.480 0.001 0.000 0.265 264 M C 2.503 178.472 176.300 -0.553 0.000 1.066 264 M CA 1.550 56.441 55.300 -0.681 0.000 1.127 264 M CB -0.094 31.962 32.600 -0.907 0.000 1.379 264 M HN 0.086 nan 8.290 nan 0.000 0.420 265 R N 0.195 120.428 120.500 -0.446 0.000 2.066 265 R HA -0.125 4.215 4.340 0.001 0.000 0.232 265 R C 1.635 177.855 176.300 -0.133 0.000 1.131 265 R CA 2.255 58.183 56.100 -0.287 0.000 0.955 265 R CB -0.447 29.711 30.300 -0.238 0.000 0.851 265 R HN 0.529 nan 8.270 nan 0.000 0.432 266 N N 0.056 118.687 118.700 -0.115 0.000 2.043 266 N HA -0.199 4.542 4.740 0.001 0.000 0.193 266 N C 1.883 177.380 175.510 -0.021 0.000 1.037 266 N CA 1.264 54.281 53.050 -0.054 0.000 0.851 266 N CB -0.217 38.239 38.487 -0.052 0.000 1.027 266 N HN 0.327 nan 8.380 nan 0.000 0.422 267 A N 0.845 123.647 122.820 -0.029 0.000 1.908 267 A HA -0.173 4.148 4.320 0.001 0.000 0.218 267 A C 2.358 180.049 177.584 0.178 0.000 1.181 267 A CA 1.734 53.819 52.037 0.080 0.000 0.627 267 A CB -0.717 18.361 19.000 0.131 0.000 0.818 267 A HN 0.225 nan 8.150 nan 0.000 0.445 268 S N -0.553 115.266 115.700 0.198 0.000 2.370 268 S HA -0.187 4.284 4.470 0.001 0.000 0.226 268 S C 2.003 176.666 174.600 0.105 0.000 1.033 268 S CA 1.895 60.233 58.200 0.230 0.000 1.011 268 S CB -0.389 62.911 63.200 0.167 0.000 0.852 268 S HN 0.593 nan 8.310 nan 0.000 0.457 269 M N 0.872 120.504 119.600 0.053 0.000 2.200 269 M HA -0.028 4.453 4.480 0.001 0.000 0.265 269 M C 2.480 178.801 176.300 0.035 0.000 1.066 269 M CA 1.214 56.534 55.300 0.033 0.000 1.127 269 M CB -0.484 32.125 32.600 0.015 0.000 1.379 269 M HN 0.390 nan 8.290 nan 0.000 0.420 270 A N -0.120 122.722 122.820 0.037 0.000 1.940 270 A HA -0.119 4.201 4.320 0.001 0.000 0.219 270 A C 2.210 179.810 177.584 0.026 0.000 1.176 270 A CA 1.655 53.708 52.037 0.026 0.000 0.631 270 A CB -0.994 18.020 19.000 0.023 0.000 0.814 270 A HN 0.302 nan 8.150 nan 0.000 0.446 271 V N -0.551 119.395 119.914 0.052 0.000 2.343 271 V HA -0.227 3.894 4.120 0.001 0.000 0.247 271 V C 2.494 178.620 176.094 0.054 0.000 1.051 271 V CA 1.946 64.278 62.300 0.053 0.000 1.036 271 V CB -0.695 31.189 31.823 0.103 0.000 0.654 271 V HN 0.494 nan 8.190 nan 0.000 0.451 272 L N -0.555 120.699 121.223 0.053 0.000 2.093 272 L HA -0.080 4.261 4.340 0.001 0.000 0.208 272 L C 2.534 179.423 176.870 0.031 0.000 1.085 272 L CA 1.726 56.592 54.840 0.044 0.000 0.755 272 L CB -0.704 41.377 42.059 0.037 0.000 0.904 272 L HN 0.190 nan 8.230 nan 0.000 0.435 273 R N -0.716 119.798 120.500 0.024 0.000 2.081 273 R HA -0.203 4.138 4.340 0.001 0.000 0.235 273 R C 2.219 178.524 176.300 0.009 0.000 1.131 273 R CA 1.407 57.517 56.100 0.016 0.000 0.960 273 R CB -0.201 30.107 30.300 0.013 0.000 0.856 273 R HN 0.267 nan 8.270 nan 0.000 0.436 274 E N 0.712 120.913 120.200 0.001 0.000 2.072 274 E HA -0.118 4.233 4.350 0.001 0.000 0.190 274 E C 1.556 178.152 176.600 -0.007 0.000 0.982 274 E CA 1.030 57.421 56.400 -0.015 0.000 0.803 274 E CB -0.052 29.621 29.700 -0.044 0.000 0.755 274 E HN 0.059 nan 8.360 nan 0.000 0.453 275 I N 0.247 120.824 120.570 0.012 0.000 2.361 275 I HA 0.056 4.226 4.170 0.001 0.000 0.251 275 I C 1.733 177.867 176.117 0.029 0.000 1.133 275 I CA 1.631 62.952 61.300 0.035 0.000 1.413 275 I CB -0.601 37.447 38.000 0.080 0.000 1.073 275 I HN 0.415 nan 8.210 nan 0.000 0.424 276 G N -0.194 108.621 108.800 0.024 0.000 2.145 276 G HA2 -0.158 3.803 3.960 0.001 0.000 0.176 276 G HA3 -0.158 3.803 3.960 0.001 0.000 0.176 276 G C 0.112 175.026 174.900 0.023 0.000 1.013 276 G CA -0.033 45.079 45.100 0.021 0.000 0.689 276 G HN 0.130 nan 8.290 nan 0.000 0.506 277 V N 0.550 120.480 119.914 0.026 0.000 2.427 277 V HA 0.388 4.508 4.120 0.001 0.000 0.268 277 V C 1.135 177.245 176.094 0.027 0.000 1.046 277 V CA 0.626 62.941 62.300 0.026 0.000 0.970 277 V CB 1.402 33.241 31.823 0.026 0.000 1.001 277 V HN 0.478 nan 8.190 nan 0.000 0.476 278 E N 2.171 122.387 120.200 0.026 0.000 2.514 278 E HA 0.077 4.427 4.350 0.001 0.000 0.215 278 E C 0.465 177.086 176.600 0.035 0.000 0.946 278 E CA 0.456 56.873 56.400 0.029 0.000 1.038 278 E CB 0.910 30.625 29.700 0.024 0.000 1.069 278 E HN 0.832 nan 8.360 nan 0.000 0.503 279 T N -1.502 113.073 114.554 0.035 0.000 3.658 279 T HA 0.650 5.000 4.350 0.001 0.000 0.245 279 T C 0.026 174.753 174.700 0.046 0.000 1.292 279 T CA -0.268 61.858 62.100 0.043 0.000 1.598 279 T CB 0.968 69.858 68.868 0.037 0.000 0.861 279 T HN 0.156 nan 8.240 nan 0.000 0.663 280 G N -0.064 108.766 108.800 0.050 0.000 2.344 280 G HA2 0.578 4.539 3.960 0.001 0.000 0.282 280 G HA3 0.578 4.539 3.960 0.001 0.000 0.282 280 G C -0.551 174.379 174.900 0.050 0.000 1.281 280 G CA -0.214 44.918 45.100 0.054 0.000 0.877 280 G HN 0.711 nan 8.290 nan 0.000 0.494 281 G N -1.134 107.696 108.800 0.050 0.000 2.491 281 G HA2 0.735 4.695 3.960 0.001 0.000 0.327 281 G HA3 0.735 4.695 3.960 0.001 0.000 0.327 281 G C -0.575 174.344 174.900 0.032 0.000 1.189 281 G CA 0.304 45.427 45.100 0.039 0.000 0.956 281 G HN 1.365 nan 8.290 nan 0.000 0.491 282 S N -0.820 114.894 115.700 0.023 0.000 2.552 282 S HA 0.342 4.813 4.470 0.001 0.000 0.272 282 S C -1.062 173.545 174.600 0.011 0.000 1.150 282 S CA -0.918 57.291 58.200 0.015 0.000 0.849 282 S CB 1.859 65.064 63.200 0.009 0.000 1.113 282 S HN 0.791 nan 8.310 nan 0.000 0.458 283 N N 1.292 119.992 118.700 -0.000 0.000 2.399 283 N HA 0.572 5.313 4.740 0.001 0.000 0.295 283 N C -1.538 173.945 175.510 -0.045 0.000 1.048 283 N CA -0.233 52.814 53.050 -0.005 0.000 0.886 283 N CB 1.291 39.779 38.487 0.001 0.000 1.185 283 N HN 0.364 nan 8.380 nan 0.000 0.487 284 V N 3.029 122.921 119.914 -0.038 0.000 2.487 284 V HA 0.344 4.464 4.120 0.001 0.000 0.298 284 V C -0.306 175.652 176.094 -0.227 0.000 1.028 284 V CA -0.728 61.485 62.300 -0.145 0.000 0.860 284 V CB 1.661 33.440 31.823 -0.073 0.000 0.991 284 V HN 0.667 nan 8.190 nan 0.000 0.427 285 Q N 3.066 122.625 119.800 -0.402 0.000 2.306 285 Q HA 0.769 5.110 4.340 0.001 0.000 0.265 285 Q C -1.629 174.023 176.000 -0.579 0.000 1.022 285 Q CA -0.401 55.222 55.803 -0.299 0.000 0.853 285 Q CB 2.719 31.339 28.738 -0.197 0.000 1.327 285 Q HN 0.645 nan 8.270 nan 0.000 0.449 286 F N -0.232 119.777 119.950 0.097 0.000 2.629 286 F HA 0.766 5.294 4.527 0.001 0.000 0.316 286 F C -0.500 175.418 175.800 0.197 0.000 1.081 286 F CA -1.036 57.045 58.000 0.136 0.000 0.954 286 F CB 1.721 40.800 39.000 0.131 0.000 1.337 286 F HN 0.529 nan 8.300 nan 0.000 0.474 287 A N 0.839 123.929 122.820 0.450 0.000 2.365 287 A HA 0.892 5.213 4.320 0.001 0.000 0.318 287 A C -1.744 176.186 177.584 0.577 0.000 1.091 287 A CA -0.737 51.587 52.037 0.478 0.000 0.763 287 A CB 1.582 20.814 19.000 0.385 0.000 1.248 287 A HN 0.535 nan 8.150 nan 0.000 0.442 288 V N 2.419 122.658 119.914 0.541 0.000 2.638 288 V HA 0.323 4.444 4.120 0.001 0.000 0.306 288 V C -0.603 175.402 176.094 -0.150 0.000 1.052 288 V CA -0.933 61.512 62.300 0.240 0.000 0.885 288 V CB 2.043 33.992 31.823 0.210 0.000 0.999 288 V HN 0.910 nan 8.190 nan 0.000 0.424 289 N N 6.908 125.165 118.700 -0.738 0.000 2.406 289 N HA 0.288 5.029 4.740 0.001 0.000 0.251 289 N C -1.386 173.805 175.510 -0.532 0.000 1.069 289 N CA -2.044 50.239 53.050 -1.278 0.000 0.947 289 N CB 1.923 39.431 38.487 -1.631 0.000 1.111 289 N HN 0.292 nan 8.380 nan 0.000 0.497 290 P HA -0.152 nan 4.420 nan 0.000 0.220 290 P C 0.565 177.780 177.300 -0.143 0.000 1.144 290 P CA 1.355 64.371 63.100 -0.140 0.000 0.800 290 P CB 0.458 32.145 31.700 -0.021 0.000 0.772 291 K N -0.451 119.836 120.400 -0.189 0.000 2.296 291 K HA -0.050 4.270 4.320 0.001 0.000 0.200 291 K C 0.801 177.329 176.600 -0.121 0.000 1.048 291 K CA 1.313 57.524 56.287 -0.127 0.000 0.966 291 K CB -0.097 32.345 32.500 -0.097 0.000 0.754 291 K HN 0.288 nan 8.250 nan 0.000 0.466 292 N N -2.826 115.778 118.700 -0.160 0.000 2.073 292 N HA 0.073 4.814 4.740 0.001 0.000 0.227 292 N C 0.543 175.981 175.510 -0.121 0.000 1.367 292 N CA 0.346 53.326 53.050 -0.117 0.000 0.775 292 N CB 0.627 39.057 38.487 -0.095 0.000 1.234 292 N HN 0.048 nan 8.380 nan 0.000 0.512 293 G N 0.875 109.583 108.800 -0.155 0.000 2.205 293 G HA2 -0.383 3.578 3.960 0.001 0.000 0.261 293 G HA3 -0.383 3.578 3.960 0.001 0.000 0.261 293 G C 0.027 174.856 174.900 -0.118 0.000 0.980 293 G CA 0.190 45.213 45.100 -0.129 0.000 0.632 293 G HN 0.610 nan 8.290 nan 0.000 0.533 294 R N 0.223 120.639 120.500 -0.139 0.000 2.504 294 R HA 0.256 4.597 4.340 0.001 0.000 0.291 294 R C -0.140 176.191 176.300 0.051 0.000 0.974 294 R CA -0.002 56.073 56.100 -0.042 0.000 1.077 294 R CB -0.001 30.295 30.300 -0.006 0.000 0.926 294 R HN 0.421 nan 8.270 nan 0.000 0.407 295 L N 6.612 127.894 121.223 0.100 0.000 2.295 295 L HA 0.495 4.836 4.340 0.001 0.000 0.285 295 L C -0.820 176.206 176.870 0.260 0.000 1.035 295 L CA -0.241 54.693 54.840 0.156 0.000 0.806 295 L CB 1.338 43.414 42.059 0.030 0.000 1.214 295 L HN 0.569 nan 8.230 nan 0.000 0.426 296 I N 5.505 126.291 120.570 0.359 0.000 2.499 296 I HA 0.320 4.491 4.170 0.001 0.000 0.288 296 I C -0.721 175.583 176.117 0.312 0.000 1.048 296 I CA -0.989 60.491 61.300 0.300 0.000 1.062 296 I CB 2.135 40.277 38.000 0.236 0.000 1.238 296 I HN 0.246 nan 8.210 nan 0.000 0.426 297 V N 6.454 126.503 119.914 0.225 0.000 2.614 297 V HA 0.138 4.258 4.120 0.001 0.000 0.291 297 V C 0.998 177.120 176.094 0.046 0.000 1.049 297 V CA -0.081 62.270 62.300 0.085 0.000 1.038 297 V CB 1.502 33.381 31.823 0.092 0.000 0.980 297 V HN 0.564 nan 8.190 nan 0.000 0.481 298 I N 2.658 123.169 120.570 -0.099 0.000 2.681 298 I HA 0.218 4.389 4.170 0.001 0.000 0.247 298 I C 0.926 176.925 176.117 -0.196 0.000 1.091 298 I CA 0.964 62.208 61.300 -0.095 0.000 1.442 298 I CB -0.322 37.609 38.000 -0.114 0.000 1.219 298 I HN 0.995 nan 8.210 nan 0.000 0.451 299 E N 0.644 120.607 120.200 -0.394 0.000 2.432 299 E HA 0.492 4.843 4.350 0.001 0.000 0.279 299 E C -0.879 175.325 176.600 -0.661 0.000 1.099 299 E CA -0.912 54.997 56.400 -0.818 0.000 0.859 299 E CB 1.645 31.022 29.700 -0.539 0.000 1.402 299 E HN 0.036 nan 8.360 nan 0.000 0.451 300 M N 0.863 120.026 119.600 -0.727 0.000 2.378 300 M HA 0.585 5.066 4.480 0.001 0.000 0.289 300 M C -2.070 174.070 176.300 -0.267 0.000 1.136 300 M CA -0.441 54.658 55.300 -0.335 0.000 0.917 300 M CB 2.376 34.915 32.600 -0.102 0.000 1.669 300 M HN 0.381 nan 8.290 nan 0.000 0.461 301 N N 4.515 123.122 118.700 -0.155 0.000 2.476 301 N HA 0.383 5.123 4.740 0.001 0.000 0.257 301 N C -2.562 172.912 175.510 -0.061 0.000 0.970 301 N CA -1.244 51.737 53.050 -0.114 0.000 0.938 301 N CB 1.668 40.113 38.487 -0.070 0.000 1.144 301 N HN 0.565 nan 8.380 nan 0.000 0.500 302 P HA 0.022 nan 4.420 nan 0.000 0.261 302 P C -0.403 176.889 177.300 -0.013 0.000 1.650 302 P CA 0.397 63.478 63.100 -0.031 0.000 0.846 302 P CB -0.168 31.509 31.700 -0.039 0.000 1.758 303 R N -2.432 118.071 120.500 0.005 0.000 2.835 303 R HA 0.499 4.839 4.340 0.001 0.000 0.271 303 R C -0.722 175.625 176.300 0.078 0.000 1.013 303 R CA -1.092 55.027 56.100 0.030 0.000 0.876 303 R CB 0.050 30.353 30.300 0.005 0.000 1.348 303 R HN -0.176 nan 8.270 nan 0.000 0.453 304 V N -0.247 119.743 119.914 0.126 0.000 3.003 304 V HA 0.726 4.847 4.120 0.001 0.000 0.305 304 V C 0.141 176.422 176.094 0.310 0.000 1.078 304 V CA 0.295 62.708 62.300 0.187 0.000 1.083 304 V CB 1.100 33.042 31.823 0.199 0.000 1.039 304 V HN 1.004 nan 8.190 nan 0.000 0.481 305 S N 2.742 118.587 115.700 0.241 0.000 2.819 305 S HA 0.490 4.961 4.470 0.001 0.000 0.299 305 S C 0.723 175.332 174.600 0.014 0.000 1.192 305 S CA -0.502 57.834 58.200 0.226 0.000 0.847 305 S CB 1.584 64.878 63.200 0.157 0.000 1.224 305 S HN 1.073 nan 8.310 nan 0.000 0.537 306 R N 0.270 120.760 120.500 -0.016 0.000 2.148 306 R HA 0.110 4.450 4.340 0.001 0.000 0.223 306 R C 1.583 177.879 176.300 -0.007 0.000 1.088 306 R CA 1.620 57.669 56.100 -0.084 0.000 0.985 306 R CB -0.861 29.394 30.300 -0.075 0.000 0.880 306 R HN 0.419 nan 8.270 nan 0.000 0.451 307 S N 1.132 116.853 115.700 0.035 0.000 2.387 307 S HA -0.103 4.368 4.470 0.001 0.000 0.226 307 S C 1.986 176.623 174.600 0.061 0.000 1.026 307 S CA 1.361 59.590 58.200 0.047 0.000 0.972 307 S CB -0.014 63.216 63.200 0.051 0.000 0.814 307 S HN 0.666 nan 8.310 nan 0.000 0.477 308 S N 1.634 117.379 115.700 0.075 0.000 2.428 308 S HA 0.151 4.621 4.470 0.001 0.000 0.230 308 S C 1.935 176.622 174.600 0.146 0.000 1.014 308 S CA 0.745 59.006 58.200 0.101 0.000 0.957 308 S CB -0.314 62.950 63.200 0.107 0.000 0.784 308 S HN 0.445 nan 8.310 nan 0.000 0.499 309 A N 1.834 124.734 122.820 0.133 0.000 1.898 309 A HA 0.162 4.483 4.320 0.001 0.000 0.216 309 A C 2.181 179.809 177.584 0.074 0.000 1.181 309 A CA 1.366 53.512 52.037 0.182 0.000 0.620 309 A CB -0.843 18.210 19.000 0.088 0.000 0.819 309 A HN 0.538 nan 8.150 nan 0.000 0.442 310 L N -0.000 121.250 121.223 0.045 0.000 2.017 310 L HA -0.057 4.284 4.340 0.001 0.000 0.208 310 L C 2.623 179.529 176.870 0.059 0.000 1.073 310 L CA 2.321 57.180 54.840 0.033 0.000 0.745 310 L CB -0.919 41.158 42.059 0.031 0.000 0.894 310 L HN 0.325 nan 8.230 nan 0.000 0.432 311 A N -1.462 121.407 122.820 0.081 0.000 1.940 311 A HA -0.199 4.122 4.320 0.001 0.000 0.219 311 A C 2.399 180.071 177.584 0.146 0.000 1.176 311 A CA 2.048 54.141 52.037 0.094 0.000 0.631 311 A CB -0.957 18.086 19.000 0.071 0.000 0.814 311 A HN 0.557 nan 8.150 nan 0.000 0.446 312 S N -0.531 115.285 115.700 0.193 0.000 2.355 312 S HA -0.102 4.368 4.470 0.001 0.000 0.222 312 S C 2.085 176.850 174.600 0.275 0.000 1.031 312 S CA 1.569 59.944 58.200 0.291 0.000 0.993 312 S CB -0.191 63.242 63.200 0.389 0.000 0.859 312 S HN 0.458 nan 8.310 nan 0.000 0.453 313 K N 2.066 122.563 120.400 0.161 0.000 2.025 313 K HA 0.200 4.521 4.320 0.001 0.000 0.207 313 K C 2.168 178.852 176.600 0.140 0.000 1.049 313 K CA 1.243 57.609 56.287 0.132 0.000 0.933 313 K CB -1.100 31.392 32.500 -0.014 0.000 0.714 313 K HN 0.290 nan 8.250 nan 0.000 0.438 314 A N 0.319 123.181 122.820 0.071 0.000 1.940 314 A HA -0.187 4.134 4.320 0.001 0.000 0.219 314 A C 2.150 179.865 177.584 0.218 0.000 1.176 314 A CA 2.718 54.804 52.037 0.082 0.000 0.631 314 A CB -0.862 18.184 19.000 0.077 0.000 0.814 314 A HN 0.515 nan 8.150 nan 0.000 0.446 315 T N -6.021 108.681 114.554 0.247 0.000 2.990 315 T HA 0.435 4.786 4.350 0.001 0.000 0.249 315 T C 1.439 176.359 174.700 0.366 0.000 1.039 315 T CA 1.077 63.345 62.100 0.281 0.000 1.036 315 T CB 0.405 69.402 68.868 0.216 0.000 0.994 315 T HN 1.753 nan 8.240 nan 0.000 0.489 316 G N 1.172 110.232 108.800 0.434 0.000 2.157 316 G HA2 -0.202 3.758 3.960 0.001 0.000 0.239 316 G HA3 -0.202 3.758 3.960 0.001 0.000 0.239 316 G C -0.223 174.933 174.900 0.428 0.000 0.982 316 G CA -0.055 45.324 45.100 0.465 0.000 0.650 316 G HN 0.614 nan 8.290 nan 0.000 0.527 317 F N 3.623 123.739 119.950 0.277 0.000 2.350 317 F HA 0.583 5.110 4.527 0.001 0.000 0.365 317 F C -1.850 174.090 175.800 0.234 0.000 1.122 317 F CA -3.166 54.975 58.000 0.234 0.000 1.139 317 F CB 1.519 40.589 39.000 0.117 0.000 1.220 317 F HN -0.063 nan 8.300 nan 0.000 0.499 318 P HA 0.090 nan 4.420 nan 0.000 0.249 318 P C 1.249 178.701 177.300 0.253 0.000 1.737 318 P CA 0.387 63.631 63.100 0.241 0.000 1.128 318 P CB -0.172 31.590 31.700 0.104 0.000 1.942 319 I N 1.669 122.488 120.570 0.415 0.000 2.145 319 I HA -0.361 3.810 4.170 0.001 0.000 0.244 319 I C 2.348 178.570 176.117 0.175 0.000 1.075 319 I CA 2.022 63.533 61.300 0.351 0.000 1.332 319 I CB -0.825 37.320 38.000 0.241 0.000 1.033 319 I HN 0.193 nan 8.210 nan 0.000 0.410 320 A N 0.416 123.278 122.820 0.070 0.000 1.902 320 A HA -0.246 4.075 4.320 0.001 0.000 0.217 320 A C 2.350 179.922 177.584 -0.021 0.000 1.181 320 A CA 1.879 53.912 52.037 -0.007 0.000 0.623 320 A CB -0.501 18.425 19.000 -0.124 0.000 0.818 320 A HN 0.315 nan 8.150 nan 0.000 0.443 321 K N -0.628 119.745 120.400 -0.045 0.000 2.026 321 K HA -0.084 4.237 4.320 0.001 0.000 0.208 321 K C 1.868 178.459 176.600 -0.015 0.000 1.048 321 K CA 1.524 57.783 56.287 -0.048 0.000 0.929 321 K CB -0.296 32.167 32.500 -0.062 0.000 0.713 321 K HN 0.261 nan 8.250 nan 0.000 0.439 322 V N 0.793 120.720 119.914 0.022 0.000 2.343 322 V HA -0.248 3.872 4.120 0.001 0.000 0.247 322 V C 2.205 178.347 176.094 0.081 0.000 1.051 322 V CA 2.061 64.392 62.300 0.052 0.000 1.036 322 V CB -0.562 31.349 31.823 0.146 0.000 0.654 322 V HN 0.422 nan 8.190 nan 0.000 0.451 323 A N -0.286 122.590 122.820 0.093 0.000 2.015 323 A HA -0.021 4.300 4.320 0.001 0.000 0.219 323 A C 2.381 179.994 177.584 0.048 0.000 1.163 323 A CA 1.761 53.844 52.037 0.078 0.000 0.646 323 A CB -0.576 18.468 19.000 0.073 0.000 0.806 323 A HN 0.554 nan 8.150 nan 0.000 0.448 324 A N 0.032 122.867 122.820 0.025 0.000 1.898 324 A HA -0.144 4.177 4.320 0.001 0.000 0.216 324 A C 2.112 179.707 177.584 0.018 0.000 1.181 324 A CA 1.798 53.838 52.037 0.004 0.000 0.620 324 A CB -0.395 18.597 19.000 -0.014 0.000 0.819 324 A HN 0.517 nan 8.150 nan 0.000 0.442 325 K N -0.909 119.515 120.400 0.039 0.000 2.026 325 K HA -0.082 4.239 4.320 0.001 0.000 0.208 325 K C 1.749 178.485 176.600 0.227 0.000 1.048 325 K CA 1.269 57.622 56.287 0.109 0.000 0.929 325 K CB -0.346 32.112 32.500 -0.070 0.000 0.713 325 K HN 0.286 nan 8.250 nan 0.000 0.439 326 L N 0.824 122.138 121.223 0.152 0.000 2.127 326 L HA -0.169 4.172 4.340 0.001 0.000 0.211 326 L C 2.191 179.118 176.870 0.095 0.000 1.089 326 L CA 1.576 56.504 54.840 0.148 0.000 0.757 326 L CB -0.804 41.322 42.059 0.112 0.000 0.899 326 L HN 0.168 nan 8.230 nan 0.000 0.434 327 A N -0.945 121.910 122.820 0.058 0.000 2.067 327 A HA -0.063 4.258 4.320 0.001 0.000 0.219 327 A C 1.645 179.217 177.584 -0.020 0.000 1.158 327 A CA 1.368 53.411 52.037 0.011 0.000 0.661 327 A CB -0.610 18.381 19.000 -0.014 0.000 0.801 327 A HN 0.307 nan 8.150 nan 0.000 0.452 328 V N -4.425 115.484 119.914 -0.007 0.000 3.039 328 V HA 0.639 4.759 4.120 0.001 0.000 0.369 328 V C 0.966 177.047 176.094 -0.021 0.000 1.344 328 V CA 0.462 62.723 62.300 -0.065 0.000 1.270 328 V CB -0.872 30.794 31.823 -0.261 0.000 1.284 328 V HN 1.246 nan 8.190 nan 0.000 0.518 329 G N -0.251 108.545 108.800 -0.007 0.000 2.313 329 G HA2 -0.284 3.677 3.960 0.001 0.000 0.215 329 G HA3 -0.284 3.677 3.960 0.001 0.000 0.215 329 G C -0.010 174.846 174.900 -0.072 0.000 1.023 329 G CA 0.048 45.106 45.100 -0.070 0.000 0.626 329 G HN 0.573 nan 8.290 nan 0.000 0.503 330 Y N 2.633 122.963 120.300 0.049 0.000 2.607 330 Y HA 0.379 4.930 4.550 0.001 0.000 0.348 330 Y C 1.584 177.514 175.900 0.049 0.000 1.261 330 Y CA 1.098 59.229 58.100 0.052 0.000 1.480 330 Y CB 0.558 39.052 38.460 0.055 0.000 1.358 330 Y HN 0.347 nan 8.280 nan 0.000 0.630 331 T N -0.917 113.779 114.554 0.237 0.000 2.918 331 T HA 0.386 4.736 4.350 0.001 0.000 0.286 331 T C 0.863 175.658 174.700 0.159 0.000 1.026 331 T CA -0.965 61.230 62.100 0.157 0.000 1.031 331 T CB 1.113 70.044 68.868 0.105 0.000 1.046 331 T HN 0.645 nan 8.240 nan 0.000 0.479 332 L N 1.107 122.414 121.223 0.140 0.000 2.021 332 L HA -0.178 4.163 4.340 0.001 0.000 0.215 332 L C 2.724 179.674 176.870 0.133 0.000 1.074 332 L CA 2.095 57.024 54.840 0.149 0.000 0.760 332 L CB -0.682 41.475 42.059 0.164 0.000 0.889 332 L HN 0.867 nan 8.230 nan 0.000 0.433 333 D N -0.131 120.339 120.400 0.116 0.000 2.309 333 D HA -0.227 4.413 4.640 0.001 0.000 0.212 333 D C 1.422 177.771 176.300 0.083 0.000 0.968 333 D CA 1.250 55.306 54.000 0.093 0.000 0.882 333 D CB -0.259 40.589 40.800 0.079 0.000 0.918 333 D HN 0.537 nan 8.370 nan 0.000 0.503 334 E N -0.191 120.074 120.200 0.108 0.000 2.447 334 E HA 0.179 4.529 4.350 0.001 0.000 0.195 334 E C 0.519 177.161 176.600 0.071 0.000 1.028 334 E CA -0.088 56.383 56.400 0.119 0.000 0.876 334 E CB 0.516 30.350 29.700 0.223 0.000 0.885 334 E HN 0.328 nan 8.360 nan 0.000 0.500 335 L N 1.221 122.466 121.223 0.038 0.000 2.360 335 L HA 0.354 4.695 4.340 0.001 0.000 0.271 335 L C 0.208 177.057 176.870 -0.035 0.000 1.057 335 L CA -0.777 54.040 54.840 -0.038 0.000 0.803 335 L CB 0.935 42.959 42.059 -0.059 0.000 1.207 335 L HN -0.049 nan 8.230 nan 0.000 0.445 336 M N 1.333 120.893 119.600 -0.067 0.000 2.478 336 M HA 0.244 4.724 4.480 0.001 0.000 0.327 336 M C -0.373 175.869 176.300 -0.096 0.000 1.187 336 M CA -0.697 54.556 55.300 -0.077 0.000 1.022 336 M CB 1.098 33.650 32.600 -0.079 0.000 1.629 336 M HN 0.423 nan 8.290 nan 0.000 0.461 337 N N 1.761 120.389 118.700 -0.120 0.000 2.416 337 N HA 0.004 4.745 4.740 0.001 0.000 0.265 337 N C 0.399 175.842 175.510 -0.111 0.000 1.195 337 N CA 0.341 53.315 53.050 -0.126 0.000 0.943 337 N CB 0.448 38.815 38.487 -0.199 0.000 1.115 337 N HN 0.403 nan 8.380 nan 0.000 0.481 338 D N 2.599 122.947 120.400 -0.087 0.000 2.177 338 D HA -0.249 4.391 4.640 0.001 0.000 0.189 338 D C 1.725 177.965 176.300 -0.101 0.000 1.002 338 D CA 1.831 55.803 54.000 -0.047 0.000 0.845 338 D CB -0.186 40.656 40.800 0.069 0.000 0.960 338 D HN 0.797 nan 8.370 nan 0.000 0.447 339 I N -0.900 119.574 120.570 -0.160 0.000 2.830 339 I HA -0.073 4.098 4.170 0.001 0.000 0.263 339 I C 1.108 177.176 176.117 -0.082 0.000 1.230 339 I CA 1.293 62.486 61.300 -0.178 0.000 1.480 339 I CB -0.467 37.357 38.000 -0.293 0.000 1.095 339 I HN -0.096 nan 8.210 nan 0.000 0.455 340 T N -1.339 113.167 114.554 -0.080 0.000 3.324 340 T HA 0.438 4.789 4.350 0.001 0.000 0.250 340 T C 1.386 176.041 174.700 -0.074 0.000 1.059 340 T CA 0.147 62.206 62.100 -0.069 0.000 0.951 340 T CB -0.298 68.480 68.868 -0.150 0.000 1.030 340 T HN 0.709 nan 8.240 nan 0.000 0.576 341 G N 1.014 109.775 108.800 -0.065 0.000 2.160 341 G HA2 0.015 3.976 3.960 0.001 0.000 0.251 341 G HA3 0.015 3.976 3.960 0.001 0.000 0.251 341 G C 1.004 175.864 174.900 -0.066 0.000 1.008 341 G CA 0.046 45.115 45.100 -0.052 0.000 0.724 341 G HN 1.722 nan 8.290 nan 0.000 0.514 342 G N -1.148 107.598 108.800 -0.090 0.000 2.258 342 G HA2 -0.335 3.626 3.960 0.001 0.000 0.274 342 G HA3 -0.335 3.626 3.960 0.001 0.000 0.274 342 G C 0.970 175.803 174.900 -0.111 0.000 1.021 342 G CA 1.391 46.432 45.100 -0.097 0.000 0.798 342 G HN 0.973 nan 8.290 nan 0.000 0.507 343 R N -0.251 120.165 120.500 -0.141 0.000 2.240 343 R HA 0.235 4.576 4.340 0.001 0.000 0.203 343 R C 1.574 177.736 176.300 -0.231 0.000 1.011 343 R CA 1.530 57.539 56.100 -0.151 0.000 1.007 343 R CB 0.255 30.477 30.300 -0.129 0.000 0.911 343 R HN 0.639 nan 8.270 nan 0.000 0.468 344 T N -2.105 112.266 114.554 -0.306 0.000 2.906 344 T HA 0.528 4.878 4.350 0.001 0.000 0.295 344 T C -2.862 171.666 174.700 -0.287 0.000 1.061 344 T CA -2.499 59.368 62.100 -0.388 0.000 1.000 344 T CB 2.674 71.113 68.868 -0.716 0.000 1.103 344 T HN -0.249 nan 8.240 nan 0.000 0.486 345 P HA 0.329 nan 4.420 nan 0.000 0.274 345 P C 0.549 177.869 177.300 0.034 0.000 1.246 345 P CA -0.472 62.587 63.100 -0.069 0.000 0.795 345 P CB 0.500 32.199 31.700 -0.002 0.000 1.006 346 A N 1.080 123.977 122.820 0.129 0.000 2.167 346 A HA -0.010 4.311 4.320 0.001 0.000 0.214 346 A C 1.238 179.128 177.584 0.511 0.000 1.151 346 A CA 0.791 52.999 52.037 0.285 0.000 0.735 346 A CB -1.218 17.840 19.000 0.097 0.000 0.802 346 A HN 0.597 nan 8.150 nan 0.000 0.467 347 S N 0.596 116.515 115.700 0.365 0.000 4.087 347 S HA 0.547 5.018 4.470 0.001 0.000 0.213 347 S C -0.289 174.548 174.600 0.395 0.000 1.415 347 S CA -0.597 57.788 58.200 0.308 0.000 0.893 347 S CB -1.371 61.941 63.200 0.187 0.000 1.529 347 S HN 0.700 nan 8.310 nan 0.000 0.457 348 F N -1.562 118.485 119.950 0.161 0.000 2.779 348 F HA 0.704 5.232 4.527 0.001 0.000 0.316 348 F C -1.197 174.676 175.800 0.121 0.000 1.164 348 F CA -1.346 56.730 58.000 0.126 0.000 0.924 348 F CB 0.950 40.023 39.000 0.121 0.000 1.348 348 F HN 0.109 nan 8.300 nan 0.000 0.467 349 E N 2.158 122.253 120.200 -0.175 0.000 2.165 349 E HA 0.396 4.747 4.350 0.001 0.000 0.266 349 E C -2.638 173.815 176.600 -0.245 0.000 0.889 349 E CA -2.149 54.057 56.400 -0.323 0.000 0.756 349 E CB 1.874 31.524 29.700 -0.083 0.000 1.131 349 E HN 0.281 nan 8.360 nan 0.000 0.411 350 P HA -0.030 nan 4.420 nan 0.000 0.267 350 P C -0.814 176.515 177.300 0.047 0.000 1.200 350 P CA 0.003 63.092 63.100 -0.019 0.000 0.772 350 P CB 0.780 32.467 31.700 -0.023 0.000 0.855 351 S N 2.182 117.956 115.700 0.124 0.000 2.561 351 S HA 0.713 5.184 4.470 0.001 0.000 0.303 351 S C -0.473 174.098 174.600 -0.049 0.000 1.110 351 S CA -0.817 57.396 58.200 0.022 0.000 1.034 351 S CB -0.073 63.146 63.200 0.032 0.000 1.010 351 S HN 0.358 nan 8.310 nan 0.000 0.482 352 I N 1.818 122.276 120.570 -0.187 0.000 2.693 352 I HA 0.703 4.874 4.170 0.001 0.000 0.303 352 I C -0.720 175.138 176.117 -0.431 0.000 1.025 352 I CA -0.894 60.130 61.300 -0.460 0.000 1.086 352 I CB 2.217 39.721 38.000 -0.827 0.000 1.268 352 I HN 0.547 nan 8.210 nan 0.000 0.440 353 D N 3.857 123.956 120.400 -0.501 0.000 2.772 353 D HA 0.251 4.892 4.640 0.001 0.000 0.272 353 D C -0.623 175.662 176.300 -0.025 0.000 1.314 353 D CA -0.162 53.736 54.000 -0.169 0.000 0.835 353 D CB -0.256 40.543 40.800 -0.001 0.000 1.080 353 D HN 0.756 nan 8.370 nan 0.000 0.482 354 Y N -3.345 116.955 120.300 -0.001 0.000 2.764 354 Y HA 0.680 5.230 4.550 0.001 0.000 0.331 354 Y C -1.599 174.269 175.900 -0.053 0.000 1.280 354 Y CA -1.713 56.358 58.100 -0.049 0.000 1.065 354 Y CB 0.899 39.232 38.460 -0.212 0.000 1.319 354 Y HN -0.228 nan 8.280 nan 0.000 0.453 355 V N 2.242 122.290 119.914 0.224 0.000 2.448 355 V HA 0.574 4.694 4.120 0.001 0.000 0.295 355 V C -0.634 175.543 176.094 0.138 0.000 1.025 355 V CA -0.843 61.558 62.300 0.168 0.000 0.859 355 V CB 1.354 33.282 31.823 0.174 0.000 0.988 355 V HN 0.656 nan 8.190 nan 0.000 0.431 356 V N 3.809 123.802 119.914 0.132 0.000 2.427 356 V HA 0.593 4.714 4.120 0.001 0.000 0.286 356 V C 0.222 176.350 176.094 0.056 0.000 1.034 356 V CA -0.189 62.141 62.300 0.050 0.000 0.893 356 V CB 1.880 33.733 31.823 0.050 0.000 0.982 356 V HN 0.962 nan 8.190 nan 0.000 0.452 357 T N 4.991 119.557 114.554 0.020 0.000 2.848 357 T HA 0.455 4.805 4.350 0.001 0.000 0.285 357 T C -0.591 174.108 174.700 -0.003 0.000 0.995 357 T CA -0.702 61.407 62.100 0.016 0.000 0.970 357 T CB 1.636 70.504 68.868 0.001 0.000 0.976 357 T HN 0.687 nan 8.240 nan 0.000 0.441 358 K N 3.649 124.042 120.400 -0.013 0.000 2.270 358 K HA 0.673 4.994 4.320 0.001 0.000 0.255 358 K C -1.451 175.118 176.600 -0.051 0.000 0.936 358 K CA -0.743 55.536 56.287 -0.013 0.000 0.809 358 K CB 1.204 33.707 32.500 0.004 0.000 1.131 358 K HN 0.601 nan 8.250 nan 0.000 0.427 359 I N 5.494 126.033 120.570 -0.052 0.000 2.499 359 I HA 0.329 4.500 4.170 0.001 0.000 0.288 359 I C -2.310 173.769 176.117 -0.063 0.000 1.048 359 I CA -2.596 58.660 61.300 -0.073 0.000 1.062 359 I CB 2.331 40.272 38.000 -0.098 0.000 1.238 359 I HN 0.514 nan 8.210 nan 0.000 0.426 360 P HA 0.230 nan 4.420 nan 0.000 0.274 360 P C -1.024 176.084 177.300 -0.320 0.000 1.231 360 P CA -0.569 62.380 63.100 -0.252 0.000 0.790 360 P CB 0.935 32.416 31.700 -0.366 0.000 0.951 361 R N 1.788 122.035 120.500 -0.422 0.000 2.387 361 R HA 0.585 4.926 4.340 0.001 0.000 0.314 361 R C -1.162 174.870 176.300 -0.447 0.000 0.958 361 R CA -0.461 55.485 56.100 -0.257 0.000 0.846 361 R CB -0.202 30.027 30.300 -0.118 0.000 1.147 361 R HN 0.275 nan 8.270 nan 0.000 0.447 362 F N 1.667 121.626 119.950 0.015 0.000 2.518 362 F HA 0.472 5.000 4.527 0.002 0.000 0.338 362 F C 0.909 176.657 175.800 -0.088 0.000 1.065 362 F CA -0.663 57.283 58.000 -0.091 0.000 1.012 362 F CB 1.725 40.689 39.000 -0.060 0.000 1.297 362 F HN 0.561 nan 8.300 nan 0.000 0.489 363 N N -0.348 118.367 118.700 0.026 0.000 2.545 363 N HA 0.165 4.906 4.740 0.001 0.000 0.283 363 N C 0.410 175.964 175.510 0.073 0.000 1.596 363 N CA 0.023 53.100 53.050 0.046 0.000 0.862 363 N CB 0.230 38.766 38.487 0.081 0.000 1.422 363 N HN 0.354 nan 8.380 nan 0.000 0.489 364 F N 2.052 122.103 119.950 0.168 0.000 2.120 364 F HA -0.236 4.292 4.527 0.002 0.000 0.300 364 F C 2.795 178.592 175.800 -0.004 0.000 1.095 364 F CA 1.263 59.319 58.000 0.094 0.000 1.249 364 F CB -0.165 38.861 39.000 0.043 0.000 0.995 364 F HN 0.317 nan 8.300 nan 0.000 0.480 365 E N 1.263 121.549 120.200 0.143 0.000 2.273 365 E HA -0.248 4.102 4.350 0.001 0.000 0.198 365 E C 1.359 177.881 176.600 -0.131 0.000 1.002 365 E CA 1.412 57.818 56.400 0.011 0.000 0.828 365 E CB -0.675 29.023 29.700 -0.004 0.000 0.747 365 E HN 0.444 nan 8.360 nan 0.000 0.491 366 K N -0.343 119.875 120.400 -0.303 0.000 2.400 366 K HA 0.084 4.404 4.320 0.001 0.000 0.194 366 K C -0.032 175.944 176.600 -1.040 0.000 1.033 366 K CA 0.187 56.069 56.287 -0.675 0.000 1.021 366 K CB 0.208 32.154 32.500 -0.924 0.000 0.808 366 K HN 0.092 nan 8.250 nan 0.000 0.505 367 F N 0.283 120.174 119.950 -0.097 0.000 2.597 367 F HA 0.332 4.860 4.527 0.001 0.000 0.336 367 F C 1.246 177.023 175.800 -0.038 0.000 1.432 367 F CA -0.891 57.044 58.000 -0.110 0.000 1.120 367 F CB 0.226 38.977 39.000 -0.415 0.000 1.253 367 F HN -0.126 nan 8.300 nan 0.000 0.546 368 A N 1.025 123.880 122.820 0.059 0.000 1.920 368 A HA -0.319 4.002 4.320 0.001 0.000 0.229 368 A C 2.448 180.070 177.584 0.063 0.000 1.516 368 A CA 2.515 54.580 52.037 0.046 0.000 0.714 368 A CB -1.272 17.739 19.000 0.019 0.000 0.845 368 A HN 0.671 nan 8.150 nan 0.000 0.493 369 G N -1.497 107.356 108.800 0.089 0.000 3.088 369 G HA2 0.432 4.393 3.960 0.001 0.000 0.212 369 G HA3 0.432 4.393 3.960 0.001 0.000 0.212 369 G C 0.496 175.455 174.900 0.099 0.000 1.173 369 G CA 0.762 45.907 45.100 0.076 0.000 0.779 369 G HN 0.968 nan 8.290 nan 0.000 0.540 370 A N 0.516 123.418 122.820 0.138 0.000 2.371 370 A HA 0.412 4.733 4.320 0.001 0.000 0.257 370 A C 0.538 178.179 177.584 0.095 0.000 1.089 370 A CA -0.608 51.536 52.037 0.179 0.000 0.794 370 A CB 0.334 19.452 19.000 0.196 0.000 1.029 370 A HN 0.249 nan 8.150 nan 0.000 0.488 371 N N 1.317 120.087 118.700 0.117 0.000 2.452 371 N HA -0.017 4.724 4.740 0.001 0.000 0.266 371 N C -0.538 174.924 175.510 -0.080 0.000 1.209 371 N CA 0.215 53.277 53.050 0.020 0.000 0.929 371 N CB 0.796 39.316 38.487 0.055 0.000 1.063 371 N HN 0.597 nan 8.380 nan 0.000 0.472 372 D N 2.433 122.618 120.400 -0.359 0.000 2.427 372 D HA 0.082 4.722 4.640 0.001 0.000 0.224 372 D C -0.123 175.769 176.300 -0.679 0.000 1.157 372 D CA -0.203 53.208 54.000 -0.982 0.000 0.828 372 D CB 0.151 40.271 40.800 -1.133 0.000 0.974 372 D HN 0.220 nan 8.370 nan 0.000 0.498 373 R N 0.619 120.957 120.500 -0.269 0.000 2.457 373 R HA 0.420 4.761 4.340 0.001 0.000 0.284 373 R C 0.310 176.599 176.300 -0.017 0.000 1.024 373 R CA -0.701 55.310 56.100 -0.148 0.000 1.025 373 R CB 1.323 31.570 30.300 -0.089 0.000 1.063 373 R HN 0.183 nan 8.270 nan 0.000 0.493 374 L N 1.100 122.329 121.223 0.010 0.000 2.380 374 L HA 0.302 4.643 4.340 0.001 0.000 0.273 374 L C 1.143 178.089 176.870 0.127 0.000 1.138 374 L CA 0.155 55.063 54.840 0.113 0.000 0.832 374 L CB 0.913 43.043 42.059 0.119 0.000 1.124 374 L HN 0.634 nan 8.230 nan 0.000 0.454 375 T N -1.113 113.536 114.554 0.158 0.000 2.598 375 T HA 0.185 4.536 4.350 0.001 0.000 0.289 375 T C 0.959 175.749 174.700 0.151 0.000 1.056 375 T CA 0.345 62.528 62.100 0.139 0.000 1.088 375 T CB 1.233 70.174 68.868 0.121 0.000 1.519 375 T HN 0.726 nan 8.240 nan 0.000 0.488 376 T N -0.409 114.219 114.554 0.123 0.000 3.085 376 T HA 0.139 4.490 4.350 0.001 0.000 0.263 376 T C 0.754 175.554 174.700 0.167 0.000 1.127 376 T CA 0.529 62.724 62.100 0.157 0.000 1.103 376 T CB -0.127 68.795 68.868 0.089 0.000 0.921 376 T HN 0.500 nan 8.240 nan 0.000 0.510 377 Q N 1.092 120.935 119.800 0.072 0.000 2.314 377 Q HA 0.401 4.742 4.340 0.001 0.000 0.259 377 Q C -0.636 175.329 176.000 -0.059 0.000 0.951 377 Q CA -0.551 55.235 55.803 -0.028 0.000 0.909 377 Q CB 0.880 29.588 28.738 -0.049 0.000 1.236 377 Q HN 0.403 nan 8.270 nan 0.000 0.444 378 M N 3.728 123.193 119.600 -0.225 0.000 2.251 378 M HA -0.040 4.441 4.480 0.001 0.000 0.343 378 M C 0.504 176.764 176.300 -0.068 0.000 1.245 378 M CA 1.228 56.427 55.300 -0.168 0.000 1.061 378 M CB 0.483 32.884 32.600 -0.332 0.000 1.723 378 M HN 0.566 nan 8.290 nan 0.000 0.449 379 K N 0.417 120.880 120.400 0.104 0.000 2.440 379 K HA 0.117 4.438 4.320 0.001 0.000 0.207 379 K C 0.209 176.893 176.600 0.141 0.000 1.112 379 K CA -0.101 56.287 56.287 0.168 0.000 1.036 379 K CB 0.715 33.492 32.500 0.462 0.000 0.935 379 K HN 0.755 nan 8.250 nan 0.000 0.564 380 S N 0.499 116.200 115.700 0.000 0.000 2.585 380 S HA 0.101 4.572 4.470 0.001 0.000 0.273 380 S C 1.152 175.629 174.600 -0.205 0.000 1.339 380 S CA -0.706 57.280 58.200 -0.356 0.000 1.028 380 S CB 1.467 64.246 63.200 -0.701 0.000 0.906 380 S HN 0.052 nan 8.310 nan 0.000 0.528 381 V N -1.349 118.438 119.914 -0.213 0.000 3.605 381 V HA 0.661 4.782 4.120 0.001 0.000 0.284 381 V C 0.810 176.838 176.094 -0.110 0.000 1.386 381 V CA 0.582 62.818 62.300 -0.106 0.000 1.053 381 V CB -0.772 31.027 31.823 -0.040 0.000 0.857 381 V HN 1.187 nan 8.190 nan 0.000 0.436 382 G N 0.471 109.172 108.800 -0.165 0.000 2.494 382 G HA2 0.648 4.609 3.960 0.001 0.000 0.308 382 G HA3 0.648 4.609 3.960 0.001 0.000 0.308 382 G C -1.732 173.077 174.900 -0.152 0.000 1.263 382 G CA -0.007 45.019 45.100 -0.123 0.000 0.840 382 G HN 0.704 nan 8.290 nan 0.000 0.479 383 E N -2.031 118.111 120.200 -0.097 0.000 2.389 383 E HA 0.525 4.875 4.350 0.001 0.000 0.281 383 E C -1.989 174.593 176.600 -0.031 0.000 1.072 383 E CA -0.899 55.453 56.400 -0.080 0.000 0.845 383 E CB 1.992 31.652 29.700 -0.067 0.000 1.239 383 E HN 0.898 nan 8.360 nan 0.000 0.434 384 V N 2.350 122.258 119.914 -0.011 0.000 2.994 384 V HA 0.786 4.907 4.120 0.001 0.000 0.318 384 V C -0.834 175.305 176.094 0.076 0.000 1.085 384 V CA -0.727 61.590 62.300 0.028 0.000 0.998 384 V CB 1.912 33.745 31.823 0.017 0.000 1.063 384 V HN 0.836 nan 8.190 nan 0.000 0.447 385 M N 4.210 123.920 119.600 0.184 0.000 2.550 385 M HA 0.864 5.344 4.480 0.001 0.000 0.292 385 M C -1.341 175.132 176.300 0.289 0.000 1.221 385 M CA -0.499 54.931 55.300 0.217 0.000 0.873 385 M CB 2.133 34.888 32.600 0.258 0.000 1.727 385 M HN 0.896 nan 8.290 nan 0.000 0.459 386 A N 3.534 126.434 122.820 0.135 0.000 2.556 386 A HA 0.862 5.183 4.320 0.001 0.000 0.294 386 A C -1.724 175.836 177.584 -0.039 0.000 1.091 386 A CA -0.751 51.359 52.037 0.122 0.000 0.704 386 A CB 1.584 20.630 19.000 0.077 0.000 1.300 386 A HN 0.844 nan 8.150 nan 0.000 0.406 387 I N 0.575 121.073 120.570 -0.120 0.000 2.569 387 I HA 0.720 4.890 4.170 0.001 0.000 0.296 387 I C 0.474 176.410 176.117 -0.301 0.000 1.028 387 I CA -0.639 60.423 61.300 -0.397 0.000 1.082 387 I CB 2.474 39.889 38.000 -0.974 0.000 1.264 387 I HN 0.841 nan 8.210 nan 0.000 0.429 388 G N 3.360 112.013 108.800 -0.245 0.000 2.704 388 G HA2 0.367 4.328 3.960 0.001 0.000 0.293 388 G HA3 0.367 4.328 3.960 0.001 0.000 0.293 388 G C -0.044 174.882 174.900 0.043 0.000 1.421 388 G CA -0.514 44.565 45.100 -0.036 0.000 0.870 388 G HN 0.459 nan 8.290 nan 0.000 0.492 389 R N -0.749 119.850 120.500 0.165 0.000 2.236 389 R HA 0.069 4.409 4.340 0.001 0.000 0.208 389 R C 0.941 177.329 176.300 0.146 0.000 1.036 389 R CA 1.211 57.429 56.100 0.197 0.000 1.001 389 R CB -0.062 30.365 30.300 0.211 0.000 0.896 389 R HN 0.713 nan 8.270 nan 0.000 0.464 390 T N -3.981 110.645 114.554 0.120 0.000 2.901 390 T HA 0.196 4.546 4.350 0.001 0.000 0.293 390 T C 0.711 175.476 174.700 0.108 0.000 1.084 390 T CA -0.879 61.286 62.100 0.109 0.000 1.008 390 T CB 2.286 71.201 68.868 0.078 0.000 1.170 390 T HN -0.208 nan 8.240 nan 0.000 0.509 391 Q N 0.576 120.456 119.800 0.133 0.000 2.096 391 Q HA -0.154 4.187 4.340 0.001 0.000 0.204 391 Q C 2.195 178.249 176.000 0.089 0.000 0.982 391 Q CA 2.069 57.968 55.803 0.160 0.000 0.850 391 Q CB -0.499 28.359 28.738 0.201 0.000 0.901 391 Q HN 0.801 nan 8.270 nan 0.000 0.422 392 Q N -0.146 119.672 119.800 0.030 0.000 2.020 392 Q HA -0.225 4.116 4.340 0.001 0.000 0.202 392 Q C 2.072 178.063 176.000 -0.016 0.000 0.982 392 Q CA 1.720 57.522 55.803 -0.001 0.000 0.838 392 Q CB -0.205 28.509 28.738 -0.040 0.000 0.899 392 Q HN 0.593 nan 8.270 nan 0.000 0.423 393 E N -0.084 120.120 120.200 0.005 0.000 2.058 393 E HA -0.232 4.119 4.350 0.001 0.000 0.194 393 E C 2.071 178.680 176.600 0.015 0.000 0.997 393 E CA 1.410 57.818 56.400 0.013 0.000 0.801 393 E CB -0.126 29.613 29.700 0.066 0.000 0.746 393 E HN 0.160 nan 8.360 nan 0.000 0.450 394 S N -0.183 115.535 115.700 0.030 0.000 2.368 394 S HA -0.160 4.311 4.470 0.001 0.000 0.225 394 S C 1.947 176.544 174.600 -0.006 0.000 1.030 394 S CA 1.183 59.394 58.200 0.018 0.000 0.999 394 S CB -0.341 62.885 63.200 0.043 0.000 0.844 394 S HN 0.369 nan 8.310 nan 0.000 0.459 395 L N 1.842 123.061 121.223 -0.007 0.000 2.027 395 L HA -0.008 4.333 4.340 0.001 0.000 0.206 395 L C 2.422 179.208 176.870 -0.141 0.000 1.074 395 L CA 1.884 56.683 54.840 -0.068 0.000 0.745 395 L CB -1.056 40.993 42.059 -0.016 0.000 0.898 395 L HN 0.328 nan 8.230 nan 0.000 0.433 396 Q N -0.229 119.495 119.800 -0.126 0.000 2.084 396 Q HA -0.255 4.085 4.340 0.001 0.000 0.202 396 Q C 2.307 178.237 176.000 -0.117 0.000 0.978 396 Q CA 1.936 57.628 55.803 -0.185 0.000 0.844 396 Q CB -0.204 28.411 28.738 -0.205 0.000 0.898 396 Q HN 0.571 nan 8.270 nan 0.000 0.426 397 K N 0.316 120.685 120.400 -0.052 0.000 2.057 397 K HA -0.136 4.185 4.320 0.001 0.000 0.207 397 K C 2.109 178.704 176.600 -0.008 0.000 1.049 397 K CA 1.166 57.452 56.287 -0.001 0.000 0.931 397 K CB -0.153 32.374 32.500 0.045 0.000 0.714 397 K HN 0.142 nan 8.250 nan 0.000 0.440 398 A N 1.362 124.163 122.820 -0.031 0.000 1.877 398 A HA -0.147 4.174 4.320 0.001 0.000 0.216 398 A C 2.103 179.653 177.584 -0.057 0.000 1.186 398 A CA 1.224 53.242 52.037 -0.031 0.000 0.620 398 A CB -0.676 18.289 19.000 -0.059 0.000 0.822 398 A HN 0.171 nan 8.150 nan 0.000 0.443 399 L N -0.248 120.896 121.223 -0.132 0.000 2.013 399 L HA -0.277 4.063 4.340 0.001 0.000 0.212 399 L C 2.829 179.692 176.870 -0.012 0.000 1.073 399 L CA 2.151 56.916 54.840 -0.125 0.000 0.753 399 L CB -0.568 41.298 42.059 -0.322 0.000 0.890 399 L HN 0.628 nan 8.230 nan 0.000 0.432 400 R N 0.190 120.675 120.500 -0.024 0.000 2.235 400 R HA -0.042 4.299 4.340 0.001 0.000 0.213 400 R C 1.766 178.077 176.300 0.019 0.000 1.059 400 R CA 1.187 57.294 56.100 0.012 0.000 0.997 400 R CB -0.535 29.774 30.300 0.015 0.000 0.884 400 R HN 0.268 nan 8.270 nan 0.000 0.462 401 G N 0.670 109.480 108.800 0.017 0.000 3.088 401 G HA2 -0.020 3.941 3.960 0.001 0.000 0.217 401 G HA3 -0.020 3.941 3.960 0.001 0.000 0.217 401 G C 1.004 175.912 174.900 0.014 0.000 1.159 401 G CA -0.381 44.729 45.100 0.016 0.000 0.760 401 G HN 0.212 nan 8.290 nan 0.000 0.550 402 L N 0.358 121.599 121.223 0.031 0.000 2.456 402 L HA 0.118 4.458 4.340 0.001 0.000 0.224 402 L C 1.112 178.005 176.870 0.038 0.000 1.148 402 L CA 0.866 55.735 54.840 0.048 0.000 0.825 402 L CB -0.137 41.989 42.059 0.111 0.000 0.937 402 L HN 0.200 nan 8.230 nan 0.000 0.450 403 E N -1.101 119.111 120.200 0.020 0.000 2.637 403 E HA -0.189 4.162 4.350 0.001 0.000 0.265 403 E C 0.843 177.442 176.600 -0.002 0.000 1.073 403 E CA 0.954 57.353 56.400 -0.002 0.000 0.778 403 E CB -2.193 27.495 29.700 -0.020 0.000 1.362 403 E HN 0.490 nan 8.360 nan 0.000 0.413 404 V N -4.372 115.546 119.914 0.008 0.000 3.427 404 V HA 0.603 4.723 4.120 0.001 0.000 0.305 404 V C 1.342 177.388 176.094 -0.079 0.000 1.412 404 V CA 0.975 63.259 62.300 -0.026 0.000 1.086 404 V CB 0.787 32.604 31.823 -0.011 0.000 0.964 404 V HN 0.542 nan 8.190 nan 0.000 0.439 405 G N 0.143 108.909 108.800 -0.056 0.000 2.176 405 G HA2 -0.046 3.915 3.960 0.001 0.000 0.232 405 G HA3 -0.046 3.915 3.960 0.001 0.000 0.232 405 G C 0.397 175.251 174.900 -0.077 0.000 0.986 405 G CA 0.129 45.186 45.100 -0.072 0.000 0.643 405 G HN 1.623 nan 8.290 nan 0.000 0.522 406 A N 0.348 123.133 122.820 -0.059 0.000 2.354 406 A HA 0.745 5.065 4.320 0.001 0.000 0.269 406 A C 1.334 178.940 177.584 0.036 0.000 1.109 406 A CA 1.268 53.299 52.037 -0.009 0.000 0.800 406 A CB 0.567 19.653 19.000 0.144 0.000 1.045 406 A HN 1.492 nan 8.150 nan 0.000 0.489 407 T N -1.139 113.446 114.554 0.051 0.000 3.084 407 T HA 0.552 4.902 4.350 0.001 0.000 0.270 407 T C 0.793 175.531 174.700 0.064 0.000 1.008 407 T CA 0.878 63.009 62.100 0.053 0.000 0.900 407 T CB -0.173 68.727 68.868 0.053 0.000 1.084 407 T HN 2.203 nan 8.240 nan 0.000 0.538 408 G N 1.408 110.245 108.800 0.063 0.000 2.384 408 G HA2 0.204 4.165 3.960 0.001 0.000 0.113 408 G HA3 0.204 4.165 3.960 0.001 0.000 0.113 408 G C -1.335 173.551 174.900 -0.024 0.000 1.224 408 G CA -0.865 44.205 45.100 -0.050 0.000 1.126 408 G HN 0.152 nan 8.290 nan 0.000 0.461 409 F N 3.640 123.714 119.950 0.206 0.000 2.666 409 F HA 0.274 4.801 4.527 0.001 0.000 0.362 409 F C 0.427 176.407 175.800 0.299 0.000 1.190 409 F CA -0.347 57.815 58.000 0.270 0.000 1.328 409 F CB -0.042 39.054 39.000 0.160 0.000 1.682 409 F HN 0.048 nan 8.300 nan 0.000 0.623 410 D N 3.693 124.331 120.400 0.397 0.000 2.389 410 D HA 0.075 4.716 4.640 0.001 0.000 0.247 410 D C -2.083 174.293 176.300 0.127 0.000 1.128 410 D CA -0.988 53.114 54.000 0.171 0.000 0.884 410 D CB 0.830 41.633 40.800 0.004 0.000 1.194 410 D HN 0.130 nan 8.370 nan 0.000 0.441 411 P HA 0.087 nan 4.420 nan 0.000 0.272 411 P C 0.138 177.390 177.300 -0.080 0.000 1.223 411 P CA -0.250 62.867 63.100 0.028 0.000 0.784 411 P CB 1.354 33.076 31.700 0.037 0.000 0.923 412 K N 0.755 121.067 120.400 -0.148 0.000 2.387 412 K HA 0.141 4.462 4.320 0.001 0.000 0.197 412 K C 0.414 176.970 176.600 -0.074 0.000 1.127 412 K CA 0.346 56.494 56.287 -0.231 0.000 0.950 412 K CB 0.386 32.493 32.500 -0.655 0.000 1.017 412 K HN 0.442 nan 8.250 nan 0.000 0.519 413 V N -1.212 118.694 119.914 -0.012 0.000 2.960 413 V HA 0.602 4.723 4.120 0.001 0.000 0.315 413 V C -0.216 175.901 176.094 0.039 0.000 1.087 413 V CA -1.069 61.266 62.300 0.058 0.000 0.982 413 V CB 1.618 33.521 31.823 0.133 0.000 1.039 413 V HN 0.067 nan 8.190 nan 0.000 0.437 414 S N 2.095 117.817 115.700 0.037 0.000 2.617 414 S HA 0.436 4.907 4.470 0.001 0.000 0.269 414 S C 0.835 175.457 174.600 0.037 0.000 1.292 414 S CA -0.535 57.684 58.200 0.031 0.000 1.010 414 S CB 0.901 64.115 63.200 0.023 0.000 0.944 414 S HN 0.812 nan 8.310 nan 0.000 0.536 415 L N 1.499 122.743 121.223 0.034 0.000 2.201 415 L HA -0.034 4.306 4.340 0.001 0.000 0.212 415 L C 1.120 178.008 176.870 0.030 0.000 1.105 415 L CA 1.529 56.391 54.840 0.036 0.000 0.775 415 L CB -0.495 41.585 42.059 0.036 0.000 0.913 415 L HN 0.817 nan 8.230 nan 0.000 0.440 416 D N -2.722 117.693 120.400 0.025 0.000 2.427 416 D HA -0.009 4.632 4.640 0.001 0.000 0.224 416 D C 0.143 176.455 176.300 0.020 0.000 1.157 416 D CA -0.270 53.743 54.000 0.021 0.000 0.828 416 D CB -0.071 40.739 40.800 0.017 0.000 0.974 416 D HN -0.009 nan 8.370 nan 0.000 0.498 417 D N 1.159 121.573 120.400 0.024 0.000 2.347 417 D HA 0.117 4.758 4.640 0.001 0.000 0.235 417 D C -1.371 174.942 176.300 0.022 0.000 1.149 417 D CA -2.535 51.478 54.000 0.023 0.000 0.850 417 D CB 1.691 42.508 40.800 0.029 0.000 1.061 417 D HN -0.135 nan 8.370 nan 0.000 0.487 418 P HA -0.094 nan 4.420 nan 0.000 0.219 418 P C 0.657 177.965 177.300 0.014 0.000 1.146 418 P CA 0.901 64.010 63.100 0.015 0.000 0.808 418 P CB 0.392 32.098 31.700 0.011 0.000 0.779 419 E N -1.068 119.140 120.200 0.014 0.000 2.474 419 E HA 0.137 4.487 4.350 0.001 0.000 0.194 419 E C 1.874 178.485 176.600 0.017 0.000 1.041 419 E CA 0.198 56.604 56.400 0.011 0.000 0.874 419 E CB -0.061 29.643 29.700 0.006 0.000 0.914 419 E HN 0.126 nan 8.360 nan 0.000 0.498 420 A N 1.684 124.521 122.820 0.029 0.000 1.884 420 A HA -0.221 4.099 4.320 0.001 0.000 0.219 420 A C 2.197 179.805 177.584 0.040 0.000 1.197 420 A CA 1.241 53.306 52.037 0.047 0.000 0.637 420 A CB -0.831 18.202 19.000 0.056 0.000 0.827 420 A HN 0.230 nan 8.150 nan 0.000 0.450 421 L N -0.896 120.343 121.223 0.027 0.000 2.129 421 L HA -0.217 4.124 4.340 0.001 0.000 0.212 421 L C 2.776 179.644 176.870 -0.002 0.000 1.087 421 L CA 1.819 56.669 54.840 0.017 0.000 0.757 421 L CB -0.642 41.425 42.059 0.014 0.000 0.896 421 L HN 0.419 nan 8.230 nan 0.000 0.434 422 T N -0.649 113.900 114.554 -0.008 0.000 2.812 422 T HA -0.145 4.206 4.350 0.001 0.000 0.264 422 T C 1.845 176.513 174.700 -0.053 0.000 1.042 422 T CA 1.245 63.328 62.100 -0.028 0.000 1.140 422 T CB 0.053 68.907 68.868 -0.023 0.000 0.870 422 T HN 0.331 nan 8.240 nan 0.000 0.445 423 K N 0.928 121.300 120.400 -0.046 0.000 2.025 423 K HA 0.073 4.393 4.320 0.001 0.000 0.207 423 K C 2.151 178.647 176.600 -0.173 0.000 1.049 423 K CA 1.126 57.354 56.287 -0.098 0.000 0.933 423 K CB -0.344 32.137 32.500 -0.033 0.000 0.714 423 K HN 0.253 nan 8.250 nan 0.000 0.438 424 I N 1.120 121.658 120.570 -0.055 0.000 2.163 424 I HA -0.320 3.851 4.170 0.001 0.000 0.243 424 I C 2.799 178.864 176.117 -0.087 0.000 1.085 424 I CA 1.262 62.550 61.300 -0.021 0.000 1.347 424 I CB -0.245 37.801 38.000 0.075 0.000 1.044 424 I HN 0.193 nan 8.210 nan 0.000 0.408 425 R N 0.779 121.239 120.500 -0.066 0.000 2.096 425 R HA -0.243 4.097 4.340 0.001 0.000 0.240 425 R C 2.583 178.821 176.300 -0.104 0.000 1.139 425 R CA 1.613 57.672 56.100 -0.070 0.000 0.952 425 R CB -0.295 29.975 30.300 -0.051 0.000 0.854 425 R HN 0.203 nan 8.270 nan 0.000 0.436 426 R N 0.859 121.278 120.500 -0.134 0.000 2.096 426 R HA -0.121 4.219 4.340 0.001 0.000 0.235 426 R C 1.496 177.682 176.300 -0.190 0.000 1.127 426 R CA 1.655 57.663 56.100 -0.153 0.000 0.968 426 R CB -0.206 29.999 30.300 -0.157 0.000 0.861 426 R HN 0.337 nan 8.270 nan 0.000 0.440 427 E N 0.328 120.355 120.200 -0.287 0.000 2.274 427 E HA -0.118 4.233 4.350 0.001 0.000 0.194 427 E C 1.912 178.428 176.600 -0.140 0.000 0.996 427 E CA 0.542 56.746 56.400 -0.327 0.000 0.840 427 E CB 0.024 29.243 29.700 -0.801 0.000 0.772 427 E HN 0.192 nan 8.360 nan 0.000 0.491 428 L N 0.933 122.095 121.223 -0.102 0.000 2.127 428 L HA -0.011 4.329 4.340 0.001 0.000 0.203 428 L C 2.319 179.153 176.870 -0.061 0.000 1.080 428 L CA 1.385 56.195 54.840 -0.050 0.000 0.768 428 L CB -0.429 41.599 42.059 -0.051 0.000 0.924 428 L HN -0.056 nan 8.230 nan 0.000 0.444 429 K N -0.692 119.661 120.400 -0.078 0.000 2.103 429 K HA -0.059 4.261 4.320 0.001 0.000 0.204 429 K C -0.365 176.190 176.600 -0.075 0.000 1.052 429 K CA 1.069 57.311 56.287 -0.075 0.000 0.945 429 K CB 0.269 32.721 32.500 -0.080 0.000 0.722 429 K HN 0.251 nan 8.250 nan 0.000 0.443 430 D N 0.660 121.007 120.400 -0.089 0.000 2.375 430 D HA 0.150 4.791 4.640 0.001 0.000 0.259 430 D C -1.257 174.993 176.300 -0.082 0.000 1.235 430 D CA -0.168 53.780 54.000 -0.087 0.000 0.924 430 D CB 1.455 42.184 40.800 -0.118 0.000 1.143 430 D HN 0.182 nan 8.370 nan 0.000 0.529 431 A N 1.600 124.395 122.820 -0.042 0.000 2.567 431 A HA 0.481 4.801 4.320 0.001 0.000 0.240 431 A C 0.881 178.435 177.584 -0.050 0.000 1.053 431 A CA 0.455 52.482 52.037 -0.017 0.000 0.755 431 A CB 0.462 19.480 19.000 0.031 0.000 0.978 431 A HN 0.532 nan 8.150 nan 0.000 0.507 432 G N -0.238 108.525 108.800 -0.062 0.000 3.075 432 G HA2 0.559 4.519 3.960 0.001 0.000 0.253 432 G HA3 0.559 4.519 3.960 0.001 0.000 0.253 432 G C 0.899 175.731 174.900 -0.114 0.000 1.353 432 G CA 0.101 45.116 45.100 -0.141 0.000 1.051 432 G HN 1.301 nan 8.290 nan 0.000 0.553 433 A N -0.943 121.759 122.820 -0.197 0.000 2.119 433 A HA 0.095 4.415 4.320 0.001 0.000 0.217 433 A C 1.516 179.267 177.584 0.278 0.000 1.153 433 A CA 1.781 53.711 52.037 -0.179 0.000 0.692 433 A CB -0.149 18.748 19.000 -0.172 0.000 0.799 433 A HN 0.383 nan 8.150 nan 0.000 0.458 434 D N -1.123 119.482 120.400 0.342 0.000 2.339 434 D HA 0.037 4.677 4.640 0.001 0.000 0.217 434 D C 1.748 178.416 176.300 0.613 0.000 1.050 434 D CA 0.098 54.466 54.000 0.614 0.000 0.856 434 D CB -0.186 40.948 40.800 0.557 0.000 0.922 434 D HN 0.486 nan 8.370 nan 0.000 0.518 435 R N 0.625 121.349 120.500 0.373 0.000 2.119 435 R HA -0.211 4.130 4.340 0.001 0.000 0.246 435 R C 1.966 178.418 176.300 0.253 0.000 1.146 435 R CA 1.115 57.402 56.100 0.312 0.000 0.962 435 R CB -0.341 30.067 30.300 0.179 0.000 0.863 435 R HN 0.092 nan 8.270 nan 0.000 0.442 436 I N 0.285 120.890 120.570 0.058 0.000 2.208 436 I HA -0.282 3.889 4.170 0.001 0.000 0.245 436 I C 1.583 177.668 176.117 -0.053 0.000 1.097 436 I CA 1.453 62.671 61.300 -0.137 0.000 1.363 436 I CB -0.324 37.337 38.000 -0.565 0.000 1.051 436 I HN 0.325 nan 8.210 nan 0.000 0.413 437 W N -0.989 120.405 121.300 0.156 0.000 2.518 437 W HA -0.136 4.525 4.660 0.001 0.000 0.273 437 W C 2.353 178.850 176.519 -0.036 0.000 1.247 437 W CA 0.564 57.958 57.345 0.082 0.000 1.288 437 W CB -1.125 28.280 29.460 -0.091 0.000 1.107 437 W HN 0.218 nan 8.180 nan 0.000 0.586 438 Y N 0.251 120.710 120.300 0.265 0.000 2.516 438 Y HA -0.071 4.479 4.550 0.001 0.000 0.291 438 Y C 2.377 178.286 175.900 0.014 0.000 1.131 438 Y CA 0.757 58.932 58.100 0.125 0.000 1.281 438 Y CB -0.546 37.966 38.460 0.086 0.000 1.013 438 Y HN -0.191 nan 8.280 nan 0.000 0.554 439 I N -0.672 119.969 120.570 0.120 0.000 2.252 439 I HA -0.312 3.859 4.170 0.001 0.000 0.245 439 I C 2.551 178.495 176.117 -0.287 0.000 1.102 439 I CA 1.185 62.429 61.300 -0.092 0.000 1.385 439 I CB -0.470 37.547 38.000 0.028 0.000 1.064 439 I HN 0.190 nan 8.210 nan 0.000 0.414 440 A N 0.277 123.057 122.820 -0.068 0.000 1.898 440 A HA -0.220 4.101 4.320 0.001 0.000 0.216 440 A C 1.952 179.549 177.584 0.022 0.000 1.181 440 A CA 1.830 53.856 52.037 -0.017 0.000 0.620 440 A CB -0.538 18.465 19.000 0.005 0.000 0.819 440 A HN 0.313 nan 8.150 nan 0.000 0.442 441 D N 0.149 120.573 120.400 0.039 0.000 2.149 441 D HA -0.078 4.563 4.640 0.001 0.000 0.198 441 D C 2.199 178.508 176.300 0.015 0.000 0.990 441 D CA 1.422 55.455 54.000 0.054 0.000 0.839 441 D CB -0.326 40.517 40.800 0.072 0.000 0.948 441 D HN 0.420 nan 8.370 nan 0.000 0.460 442 A N 0.142 122.909 122.820 -0.090 0.000 1.902 442 A HA -0.164 4.157 4.320 0.001 0.000 0.217 442 A C 1.905 179.401 177.584 -0.146 0.000 1.181 442 A CA 0.997 52.932 52.037 -0.170 0.000 0.623 442 A CB -0.831 17.974 19.000 -0.326 0.000 0.818 442 A HN 0.145 nan 8.150 nan 0.000 0.443 443 F N -0.222 119.750 119.950 0.036 0.000 2.325 443 F HA 0.025 4.552 4.527 0.001 0.000 0.299 443 F C 2.437 178.251 175.800 0.023 0.000 1.090 443 F CA 0.878 58.889 58.000 0.019 0.000 1.392 443 F CB -0.494 38.500 39.000 -0.010 0.000 1.053 443 F HN 0.120 nan 8.300 nan 0.000 0.521 444 R N 0.030 120.634 120.500 0.173 0.000 2.075 444 R HA -0.032 4.309 4.340 0.001 0.000 0.232 444 R C 2.109 178.466 176.300 0.094 0.000 1.126 444 R CA 1.219 57.393 56.100 0.122 0.000 0.963 444 R CB -0.627 29.732 30.300 0.098 0.000 0.858 444 R HN 0.200 nan 8.270 nan 0.000 0.435 445 A N -0.351 122.516 122.820 0.078 0.000 2.259 445 A HA 0.228 4.549 4.320 0.001 0.000 0.208 445 A C 1.276 178.899 177.584 0.064 0.000 1.201 445 A CA 0.863 52.937 52.037 0.061 0.000 0.824 445 A CB -0.048 18.981 19.000 0.048 0.000 0.838 445 A HN 0.508 nan 8.150 nan 0.000 0.485 446 G N -1.558 107.295 108.800 0.088 0.000 2.218 446 G HA2 -0.176 3.785 3.960 0.001 0.000 0.216 446 G HA3 -0.176 3.785 3.960 0.001 0.000 0.216 446 G C 0.130 175.089 174.900 0.098 0.000 0.994 446 G CA -0.024 45.126 45.100 0.084 0.000 0.637 446 G HN 0.366 nan 8.290 nan 0.000 0.505 447 L N 2.489 123.772 121.223 0.101 0.000 2.426 447 L HA 0.511 4.852 4.340 0.001 0.000 0.271 447 L C 1.525 178.530 176.870 0.225 0.000 1.169 447 L CA 0.174 55.078 54.840 0.106 0.000 0.836 447 L CB 1.238 43.312 42.059 0.026 0.000 1.112 447 L HN 0.472 nan 8.230 nan 0.000 0.465 448 S N 1.707 117.519 115.700 0.186 0.000 2.632 448 S HA 0.186 4.656 4.470 0.001 0.000 0.267 448 S C 1.059 175.853 174.600 0.323 0.000 1.276 448 S CA -0.918 57.410 58.200 0.215 0.000 0.998 448 S CB 1.540 64.816 63.200 0.127 0.000 0.953 448 S HN 0.336 nan 8.310 nan 0.000 0.547 449 V N 1.300 121.392 119.914 0.297 0.000 2.407 449 V HA -0.135 3.985 4.120 0.001 0.000 0.248 449 V C 2.146 178.402 176.094 0.269 0.000 1.055 449 V CA 2.202 64.700 62.300 0.330 0.000 1.049 449 V CB -0.962 30.936 31.823 0.124 0.000 0.662 449 V HN 0.854 nan 8.190 nan 0.000 0.455 450 D N 0.443 120.953 120.400 0.183 0.000 2.144 450 D HA -0.100 4.540 4.640 0.001 0.000 0.199 450 D C 2.178 178.611 176.300 0.223 0.000 0.984 450 D CA 1.528 55.638 54.000 0.183 0.000 0.834 450 D CB -0.517 40.345 40.800 0.104 0.000 0.955 450 D HN 0.470 nan 8.370 nan 0.000 0.465 451 G N 0.651 109.552 108.800 0.169 0.000 2.421 451 G HA2 -0.201 3.760 3.960 0.001 0.000 0.216 451 G HA3 -0.201 3.760 3.960 0.001 0.000 0.216 451 G C 1.862 176.823 174.900 0.102 0.000 1.171 451 G CA 0.866 46.038 45.100 0.120 0.000 0.775 451 G HN 0.239 nan 8.290 nan 0.000 0.543 452 V N 0.586 120.572 119.914 0.119 0.000 2.343 452 V HA -0.157 3.964 4.120 0.001 0.000 0.247 452 V C 2.339 178.480 176.094 0.078 0.000 1.051 452 V CA 1.889 64.222 62.300 0.055 0.000 1.036 452 V CB -0.724 31.104 31.823 0.007 0.000 0.654 452 V HN 0.388 nan 8.190 nan 0.000 0.451 453 F N 1.966 121.955 119.950 0.065 0.000 2.095 453 F HA -0.220 4.308 4.527 0.001 0.000 0.298 453 F C 2.369 178.193 175.800 0.040 0.000 1.104 453 F CA 2.107 60.141 58.000 0.055 0.000 1.232 453 F CB -0.370 38.669 39.000 0.066 0.000 0.987 453 F HN 0.169 nan 8.300 nan 0.000 0.475 454 N N 0.785 119.496 118.700 0.019 0.000 2.223 454 N HA -0.153 4.588 4.740 0.001 0.000 0.185 454 N C 1.937 177.365 175.510 -0.136 0.000 1.016 454 N CA 1.569 54.593 53.050 -0.044 0.000 0.863 454 N CB -0.452 38.101 38.487 0.110 0.000 0.983 454 N HN 0.392 nan 8.380 nan 0.000 0.429 455 L N 0.088 121.247 121.223 -0.107 0.000 2.179 455 L HA -0.034 4.307 4.340 0.001 0.000 0.208 455 L C 2.213 179.003 176.870 -0.133 0.000 1.096 455 L CA 1.297 56.078 54.840 -0.098 0.000 0.779 455 L CB -0.329 41.690 42.059 -0.066 0.000 0.922 455 L HN 0.285 nan 8.230 nan 0.000 0.443 456 T N -5.620 108.821 114.554 -0.189 0.000 3.000 456 T HA 0.110 4.461 4.350 0.001 0.000 0.248 456 T C 0.833 175.379 174.700 -0.257 0.000 1.034 456 T CA 0.407 62.402 62.100 -0.175 0.000 1.060 456 T CB -0.054 68.737 68.868 -0.127 0.000 0.983 456 T HN 0.283 nan 8.240 nan 0.000 0.482 457 N N 0.605 118.994 118.700 -0.520 0.000 2.782 457 N HA -0.113 4.627 4.740 0.001 0.000 0.251 457 N C -0.845 174.501 175.510 -0.272 0.000 1.101 457 N CA 0.516 53.213 53.050 -0.587 0.000 0.764 457 N CB -1.753 36.581 38.487 -0.255 0.000 1.122 457 N HN 0.580 nan 8.380 nan 0.000 0.561 458 I N 0.823 121.265 120.570 -0.212 0.000 2.416 458 I HA 0.035 4.206 4.170 0.001 0.000 0.288 458 I C 0.863 177.098 176.117 0.197 0.000 1.051 458 I CA -0.268 60.941 61.300 -0.151 0.000 1.375 458 I CB 0.470 38.207 38.000 -0.439 0.000 1.407 458 I HN 0.146 nan 8.210 nan 0.000 0.516 459 D N 6.270 126.869 120.400 0.331 0.000 2.583 459 D HA -0.073 4.568 4.640 0.001 0.000 0.232 459 D C 1.194 177.728 176.300 0.390 0.000 1.128 459 D CA 0.405 54.667 54.000 0.436 0.000 0.859 459 D CB 0.814 41.840 40.800 0.378 0.000 1.169 459 D HN 0.489 nan 8.370 nan 0.000 0.481 460 R N 2.810 123.468 120.500 0.264 0.000 2.200 460 R HA -0.199 4.142 4.340 0.001 0.000 0.234 460 R C 1.855 178.231 176.300 0.126 0.000 1.127 460 R CA 1.051 57.254 56.100 0.171 0.000 0.989 460 R CB -0.118 30.188 30.300 0.010 0.000 0.869 460 R HN 0.651 nan 8.270 nan 0.000 0.459 461 W N 0.557 121.809 121.300 -0.080 0.000 2.350 461 W HA -0.180 4.481 4.660 0.001 0.000 0.289 461 W C 1.095 177.492 176.519 -0.202 0.000 1.215 461 W CA 1.390 58.607 57.345 -0.213 0.000 1.236 461 W CB -0.139 29.088 29.460 -0.388 0.000 1.130 461 W HN -0.041 nan 8.180 nan 0.000 0.541 462 F N -0.317 119.751 119.950 0.196 0.000 2.179 462 F HA -0.034 4.494 4.527 0.001 0.000 0.292 462 F C 2.259 178.103 175.800 0.074 0.000 1.089 462 F CA 1.203 59.285 58.000 0.135 0.000 1.295 462 F CB -1.217 37.948 39.000 0.275 0.000 1.041 462 F HN -0.264 nan 8.300 nan 0.000 0.487 463 L N 0.317 121.719 121.223 0.300 0.000 2.012 463 L HA -0.200 4.140 4.340 0.001 0.000 0.210 463 L C 2.668 179.565 176.870 0.044 0.000 1.073 463 L CA 1.563 56.568 54.840 0.276 0.000 0.748 463 L CB -1.276 40.995 42.059 0.352 0.000 0.891 463 L HN 0.175 nan 8.230 nan 0.000 0.431 464 V N -2.288 117.586 119.914 -0.067 0.000 2.453 464 V HA -0.334 3.787 4.120 0.001 0.000 0.252 464 V C 2.211 178.159 176.094 -0.245 0.000 1.068 464 V CA 1.817 63.992 62.300 -0.209 0.000 1.070 464 V CB -0.913 30.795 31.823 -0.191 0.000 0.664 464 V HN 0.533 nan 8.190 nan 0.000 0.461 465 Q N 0.060 119.733 119.800 -0.212 0.000 2.079 465 Q HA -0.005 4.336 4.340 0.001 0.000 0.200 465 Q C 2.349 178.265 176.000 -0.140 0.000 0.974 465 Q CA 2.123 57.810 55.803 -0.194 0.000 0.840 465 Q CB -0.240 28.355 28.738 -0.238 0.000 0.898 465 Q HN 0.691 nan 8.270 nan 0.000 0.430 466 I N 0.585 121.101 120.570 -0.090 0.000 2.315 466 I HA -0.236 3.935 4.170 0.001 0.000 0.248 466 I C 2.462 178.435 176.117 -0.240 0.000 1.117 466 I CA 0.978 62.170 61.300 -0.179 0.000 1.404 466 I CB -0.264 37.711 38.000 -0.042 0.000 1.071 466 I HN 0.295 nan 8.210 nan 0.000 0.419 467 E N 1.422 121.355 120.200 -0.444 0.000 2.058 467 E HA -0.317 4.033 4.350 0.001 0.000 0.194 467 E C 2.128 178.525 176.600 -0.339 0.000 0.997 467 E CA 1.651 57.586 56.400 -0.775 0.000 0.801 467 E CB -0.075 28.858 29.700 -1.279 0.000 0.746 467 E HN 0.457 nan 8.360 nan 0.000 0.450 468 E N 0.369 120.420 120.200 -0.248 0.000 2.118 468 E HA -0.222 4.129 4.350 0.001 0.000 0.195 468 E C 2.292 178.878 176.600 -0.023 0.000 0.992 468 E CA 1.115 57.442 56.400 -0.122 0.000 0.804 468 E CB -0.118 29.518 29.700 -0.107 0.000 0.741 468 E HN 0.356 nan 8.360 nan 0.000 0.458 469 L N 0.245 121.453 121.223 -0.025 0.000 2.012 469 L HA -0.200 4.140 4.340 0.001 0.000 0.210 469 L C 2.617 179.600 176.870 0.187 0.000 1.073 469 L CA 0.902 55.812 54.840 0.117 0.000 0.748 469 L CB -0.474 41.582 42.059 -0.006 0.000 0.891 469 L HN 0.108 nan 8.230 nan 0.000 0.431 470 V N -0.308 119.633 119.914 0.045 0.000 2.295 470 V HA -0.257 3.863 4.120 0.001 0.000 0.246 470 V C 2.735 178.877 176.094 0.080 0.000 1.049 470 V CA 1.590 63.941 62.300 0.084 0.000 1.024 470 V CB -0.597 31.279 31.823 0.088 0.000 0.648 470 V HN 0.420 nan 8.190 nan 0.000 0.447 471 R N -0.353 120.168 120.500 0.036 0.000 2.096 471 R HA -0.077 4.264 4.340 0.001 0.000 0.235 471 R C 2.169 178.507 176.300 0.063 0.000 1.127 471 R CA 1.286 57.405 56.100 0.031 0.000 0.968 471 R CB -0.874 29.422 30.300 -0.008 0.000 0.861 471 R HN 0.449 nan 8.270 nan 0.000 0.440 472 L N 0.612 121.898 121.223 0.104 0.000 2.056 472 L HA -0.131 4.210 4.340 0.001 0.000 0.207 472 L C 2.355 179.258 176.870 0.056 0.000 1.078 472 L CA 1.263 56.179 54.840 0.126 0.000 0.749 472 L CB -0.373 41.804 42.059 0.197 0.000 0.901 472 L HN 0.195 nan 8.230 nan 0.000 0.433 473 E N 0.040 120.272 120.200 0.053 0.000 2.118 473 E HA -0.252 4.099 4.350 0.001 0.000 0.195 473 E C 2.047 178.660 176.600 0.023 0.000 0.992 473 E CA 1.268 57.665 56.400 -0.005 0.000 0.804 473 E CB -0.023 29.743 29.700 0.111 0.000 0.741 473 E HN 0.549 nan 8.360 nan 0.000 0.458 474 E N 0.734 120.965 120.200 0.051 0.000 2.077 474 E HA -0.215 4.136 4.350 0.001 0.000 0.193 474 E C 2.091 178.716 176.600 0.042 0.000 0.989 474 E CA 0.995 57.422 56.400 0.045 0.000 0.800 474 E CB -0.049 29.677 29.700 0.043 0.000 0.746 474 E HN 0.092 nan 8.360 nan 0.000 0.452 475 K N 1.060 121.495 120.400 0.058 0.000 2.057 475 K HA -0.142 4.179 4.320 0.001 0.000 0.207 475 K C 2.107 178.775 176.600 0.114 0.000 1.049 475 K CA 1.122 57.446 56.287 0.061 0.000 0.931 475 K CB -0.014 32.519 32.500 0.056 0.000 0.714 475 K HN -0.056 nan 8.250 nan 0.000 0.440 476 V N 1.719 121.721 119.914 0.146 0.000 2.231 476 V HA -0.314 3.807 4.120 0.001 0.000 0.248 476 V C 2.532 178.657 176.094 0.050 0.000 1.054 476 V CA 2.197 64.557 62.300 0.101 0.000 1.015 476 V CB -1.007 30.765 31.823 -0.085 0.000 0.638 476 V HN 0.569 nan 8.190 nan 0.000 0.444 477 A N -0.826 122.008 122.820 0.023 0.000 1.958 477 A HA -0.333 3.987 4.320 0.001 0.000 0.221 477 A C 2.301 179.900 177.584 0.025 0.000 1.178 477 A CA 2.359 54.408 52.037 0.020 0.000 0.642 477 A CB -0.571 18.442 19.000 0.023 0.000 0.816 477 A HN 0.693 nan 8.150 nan 0.000 0.453 478 E N -0.204 120.014 120.200 0.030 0.000 2.072 478 E HA -0.108 4.243 4.350 0.001 0.000 0.190 478 E C 1.855 178.468 176.600 0.021 0.000 0.982 478 E CA 1.570 57.983 56.400 0.020 0.000 0.803 478 E CB -0.076 29.630 29.700 0.010 0.000 0.755 478 E HN 0.576 nan 8.360 nan 0.000 0.453 479 V N -2.230 117.706 119.914 0.037 0.000 3.406 479 V HA 0.303 4.424 4.120 0.001 0.000 0.263 479 V C 1.066 177.188 176.094 0.047 0.000 1.172 479 V CA 0.512 62.835 62.300 0.038 0.000 1.140 479 V CB -0.686 31.164 31.823 0.046 0.000 0.784 479 V HN 0.344 nan 8.190 nan 0.000 0.467 480 G N 0.549 109.377 108.800 0.047 0.000 2.801 480 G HA2 -0.339 3.621 3.960 0.001 0.000 0.244 480 G HA3 -0.339 3.621 3.960 0.001 0.000 0.244 480 G C 0.435 175.361 174.900 0.043 0.000 1.385 480 G CA 0.312 45.432 45.100 0.033 0.000 0.894 480 G HN 0.742 nan 8.290 nan 0.000 0.562 481 I N -0.408 120.177 120.570 0.025 0.000 2.315 481 I HA -0.164 4.007 4.170 0.001 0.000 0.251 481 I C 2.756 178.902 176.117 0.047 0.000 1.125 481 I CA 2.733 64.047 61.300 0.025 0.000 1.392 481 I CB -0.097 37.906 38.000 0.005 0.000 1.065 481 I HN 0.668 nan 8.210 nan 0.000 0.424 482 T N -0.063 114.518 114.554 0.045 0.000 2.915 482 T HA -0.059 4.291 4.350 0.001 0.000 0.269 482 T C 1.491 176.236 174.700 0.075 0.000 1.071 482 T CA 1.255 63.387 62.100 0.053 0.000 1.132 482 T CB -0.379 68.510 68.868 0.035 0.000 0.878 482 T HN 0.623 nan 8.240 nan 0.000 0.479 483 G N 0.549 109.401 108.800 0.087 0.000 2.920 483 G HA2 0.130 4.091 3.960 0.001 0.000 0.208 483 G HA3 0.130 4.091 3.960 0.001 0.000 0.208 483 G C 0.660 175.695 174.900 0.225 0.000 1.159 483 G CA -0.179 44.988 45.100 0.113 0.000 0.784 483 G HN 0.449 nan 8.290 nan 0.000 0.535 484 L N 2.669 124.011 121.223 0.200 0.000 2.511 484 L HA 0.145 4.486 4.340 0.001 0.000 0.239 484 L C 0.449 177.468 176.870 0.248 0.000 1.400 484 L CA -0.710 54.258 54.840 0.215 0.000 1.226 484 L CB -1.157 40.956 42.059 0.091 0.000 1.475 484 L HN 0.293 nan 8.230 nan 0.000 0.428 485 N N -0.096 118.725 118.700 0.202 0.000 2.354 485 N HA 0.154 4.895 4.740 0.001 0.000 0.246 485 N C 1.225 176.644 175.510 -0.152 0.000 1.285 485 N CA 0.227 53.312 53.050 0.059 0.000 0.925 485 N CB 0.775 39.271 38.487 0.015 0.000 1.174 485 N HN 0.163 nan 8.380 nan 0.000 0.478 486 A N -0.132 122.294 122.820 -0.657 0.000 1.940 486 A HA -0.226 4.095 4.320 0.001 0.000 0.219 486 A C 1.527 178.950 177.584 -0.269 0.000 1.176 486 A CA 1.733 53.258 52.037 -0.853 0.000 0.631 486 A CB -0.791 17.585 19.000 -1.040 0.000 0.814 486 A HN 0.796 nan 8.150 nan 0.000 0.446 487 D N -1.048 119.267 120.400 -0.142 0.000 2.084 487 D HA -0.121 4.520 4.640 0.001 0.000 0.196 487 D C 1.660 178.008 176.300 0.079 0.000 0.985 487 D CA 1.237 55.222 54.000 -0.025 0.000 0.826 487 D CB -0.549 40.247 40.800 -0.007 0.000 0.978 487 D HN 0.403 nan 8.370 nan 0.000 0.456 488 F N 1.498 121.399 119.950 -0.082 0.000 2.171 488 F HA -0.120 4.407 4.527 0.001 0.000 0.300 488 F C 2.053 177.820 175.800 -0.054 0.000 1.090 488 F CA 0.567 58.532 58.000 -0.058 0.000 1.293 488 F CB -0.533 38.436 39.000 -0.053 0.000 1.013 488 F HN -0.108 nan 8.300 nan 0.000 0.486 489 L N 0.635 121.813 121.223 -0.074 0.000 2.141 489 L HA -0.072 4.268 4.340 0.001 0.000 0.209 489 L C 2.563 179.332 176.870 -0.168 0.000 1.094 489 L CA 1.644 56.371 54.840 -0.189 0.000 0.763 489 L CB -0.869 41.199 42.059 0.015 0.000 0.908 489 L HN 0.162 nan 8.230 nan 0.000 0.437 490 R N -1.025 119.425 120.500 -0.084 0.000 2.090 490 R HA -0.152 4.189 4.340 0.001 0.000 0.228 490 R C 2.206 178.460 176.300 -0.076 0.000 1.110 490 R CA 1.517 57.575 56.100 -0.071 0.000 0.973 490 R CB -0.161 30.139 30.300 0.001 0.000 0.869 490 R HN 0.493 nan 8.270 nan 0.000 0.440 491 Q N 0.281 120.069 119.800 -0.021 0.000 2.124 491 Q HA -0.146 4.195 4.340 0.001 0.000 0.202 491 Q C 2.171 178.168 176.000 -0.005 0.000 0.977 491 Q CA 1.674 57.494 55.803 0.029 0.000 0.850 491 Q CB -0.051 28.767 28.738 0.133 0.000 0.901 491 Q HN 0.380 nan 8.270 nan 0.000 0.429 492 L N 0.227 121.375 121.223 -0.124 0.000 2.056 492 L HA -0.167 4.174 4.340 0.001 0.000 0.207 492 L C 2.242 179.124 176.870 0.020 0.000 1.078 492 L CA 0.765 55.569 54.840 -0.061 0.000 0.749 492 L CB -0.350 41.463 42.059 -0.410 0.000 0.901 492 L HN 0.065 nan 8.230 nan 0.000 0.433 493 K N 0.447 120.702 120.400 -0.243 0.000 2.097 493 K HA -0.133 4.187 4.320 0.001 0.000 0.206 493 K C 2.170 178.532 176.600 -0.397 0.000 1.049 493 K CA 1.273 57.230 56.287 -0.549 0.000 0.933 493 K CB -0.365 31.316 32.500 -1.365 0.000 0.717 493 K HN 0.247 nan 8.250 nan 0.000 0.442 494 R N 0.832 121.211 120.500 -0.202 0.000 2.120 494 R HA -0.036 4.304 4.340 0.001 0.000 0.234 494 R C 1.518 177.836 176.300 0.029 0.000 1.123 494 R CA 0.927 57.026 56.100 -0.002 0.000 0.975 494 R CB 0.081 30.410 30.300 0.049 0.000 0.866 494 R HN -0.019 nan 8.270 nan 0.000 0.446 495 K N -0.452 119.966 120.400 0.030 0.000 2.505 495 K HA 0.090 4.410 4.320 0.001 0.000 0.192 495 K C 0.819 177.340 176.600 -0.132 0.000 1.025 495 K CA 0.782 57.065 56.287 -0.006 0.000 1.086 495 K CB 0.631 33.172 32.500 0.068 0.000 0.840 495 K HN 0.423 nan 8.250 nan 0.000 0.514 496 G N 1.310 110.067 108.800 -0.072 0.000 2.143 496 G HA2 -0.264 3.696 3.960 0.001 0.000 0.249 496 G HA3 -0.264 3.696 3.960 0.001 0.000 0.249 496 G C -0.100 174.712 174.900 -0.147 0.000 0.981 496 G CA -0.402 44.644 45.100 -0.091 0.000 0.665 496 G HN 0.218 nan 8.290 nan 0.000 0.528 497 F N 1.729 121.648 119.950 -0.052 0.000 2.495 497 F HA 0.553 5.081 4.527 0.001 0.000 0.365 497 F C 1.139 176.905 175.800 -0.057 0.000 1.090 497 F CA 0.293 58.264 58.000 -0.048 0.000 1.235 497 F CB 0.914 39.861 39.000 -0.087 0.000 1.119 497 F HN 0.357 nan 8.300 nan 0.000 0.562 498 A N 3.122 126.048 122.820 0.177 0.000 2.351 498 A HA 0.194 4.514 4.320 0.001 0.000 0.257 498 A C 1.098 178.732 177.584 0.084 0.000 1.087 498 A CA -0.632 51.468 52.037 0.104 0.000 0.798 498 A CB 0.270 19.321 19.000 0.085 0.000 1.033 498 A HN 0.771 nan 8.150 nan 0.000 0.488 499 D N 1.497 121.926 120.400 0.049 0.000 2.144 499 D HA -0.119 4.522 4.640 0.001 0.000 0.199 499 D C 2.150 178.461 176.300 0.019 0.000 0.984 499 D CA 1.862 55.873 54.000 0.017 0.000 0.834 499 D CB -0.366 40.441 40.800 0.012 0.000 0.955 499 D HN 0.640 nan 8.370 nan 0.000 0.465 500 A N 0.878 123.717 122.820 0.032 0.000 1.933 500 A HA -0.207 4.113 4.320 0.001 0.000 0.218 500 A C 2.207 179.813 177.584 0.038 0.000 1.175 500 A CA 1.822 53.875 52.037 0.028 0.000 0.628 500 A CB -0.401 18.615 19.000 0.027 0.000 0.814 500 A HN 0.095 nan 8.150 nan 0.000 0.444 501 R N -0.095 120.448 120.500 0.071 0.000 2.073 501 R HA 0.065 4.406 4.340 0.001 0.000 0.229 501 R C 1.866 178.197 176.300 0.052 0.000 1.120 501 R CA 1.420 57.581 56.100 0.102 0.000 0.967 501 R CB -0.673 29.755 30.300 0.214 0.000 0.862 501 R HN 0.495 nan 8.270 nan 0.000 0.436 502 L N -0.037 121.191 121.223 0.007 0.000 2.093 502 L HA -0.046 4.295 4.340 0.001 0.000 0.208 502 L C 2.517 179.354 176.870 -0.056 0.000 1.085 502 L CA 1.195 55.983 54.840 -0.086 0.000 0.755 502 L CB -0.687 41.288 42.059 -0.142 0.000 0.904 502 L HN 0.314 nan 8.230 nan 0.000 0.435 503 A N 0.539 123.342 122.820 -0.027 0.000 1.851 503 A HA -0.240 4.080 4.320 0.001 0.000 0.216 503 A C 2.351 179.928 177.584 -0.011 0.000 1.195 503 A CA 1.857 53.883 52.037 -0.019 0.000 0.622 503 A CB -0.442 18.552 19.000 -0.010 0.000 0.831 503 A HN 0.305 nan 8.150 nan 0.000 0.444 504 K N -0.495 119.905 120.400 0.001 0.000 2.044 504 K HA -0.145 4.176 4.320 0.001 0.000 0.210 504 K C 1.896 178.499 176.600 0.005 0.000 1.049 504 K CA 1.677 57.969 56.287 0.008 0.000 0.927 504 K CB -0.505 32.008 32.500 0.022 0.000 0.713 504 K HN 0.496 nan 8.250 nan 0.000 0.443 505 L N 0.219 121.441 121.223 -0.001 0.000 2.141 505 L HA -0.101 4.240 4.340 0.001 0.000 0.209 505 L C 2.398 179.262 176.870 -0.009 0.000 1.094 505 L CA 0.838 55.675 54.840 -0.005 0.000 0.763 505 L CB -0.372 41.671 42.059 -0.027 0.000 0.908 505 L HN 0.169 nan 8.230 nan 0.000 0.437 506 A N -0.324 122.485 122.820 -0.019 0.000 2.169 506 A HA 0.262 4.583 4.320 0.001 0.000 0.212 506 A C 1.665 179.246 177.584 -0.005 0.000 1.153 506 A CA 0.716 52.745 52.037 -0.013 0.000 0.756 506 A CB -0.454 18.533 19.000 -0.023 0.000 0.813 506 A HN 0.487 nan 8.150 nan 0.000 0.471 507 G N -0.896 107.901 108.800 -0.004 0.000 2.212 507 G HA2 -0.002 3.958 3.960 0.001 0.000 0.255 507 G HA3 -0.002 3.958 3.960 0.001 0.000 0.255 507 G C 0.143 175.040 174.900 -0.005 0.000 1.062 507 G CA 0.708 45.806 45.100 -0.002 0.000 0.815 507 G HN 1.824 nan 8.290 nan 0.000 0.497 508 V N -4.477 115.432 119.914 -0.008 0.000 3.167 508 V HA 0.932 5.053 4.120 0.001 0.000 0.310 508 V C 0.415 176.502 176.094 -0.011 0.000 1.207 508 V CA -1.974 60.320 62.300 -0.010 0.000 1.059 508 V CB 1.326 33.140 31.823 -0.015 0.000 1.079 508 V HN 0.368 nan 8.190 nan 0.000 0.446 509 R N 0.276 120.769 120.500 -0.012 0.000 2.615 509 R HA 0.331 4.672 4.340 0.001 0.000 0.270 509 R C 1.348 177.641 176.300 -0.013 0.000 1.081 509 R CA 0.280 56.373 56.100 -0.011 0.000 1.154 509 R CB 0.490 30.784 30.300 -0.011 0.000 1.063 509 R HN 0.961 nan 8.270 nan 0.000 0.519 510 E N 1.778 121.972 120.200 -0.009 0.000 2.118 510 E HA -0.268 4.082 4.350 0.001 0.000 0.195 510 E C 1.588 178.180 176.600 -0.013 0.000 0.992 510 E CA 1.548 57.943 56.400 -0.008 0.000 0.804 510 E CB 0.001 29.700 29.700 -0.001 0.000 0.741 510 E HN 0.715 nan 8.360 nan 0.000 0.458 511 A N 1.168 123.981 122.820 -0.012 0.000 1.986 511 A HA -0.225 4.095 4.320 0.001 0.000 0.220 511 A C 1.909 179.478 177.584 -0.026 0.000 1.171 511 A CA 1.660 53.688 52.037 -0.014 0.000 0.640 511 A CB -0.441 18.552 19.000 -0.012 0.000 0.811 511 A HN 0.233 nan 8.150 nan 0.000 0.451 512 E N -0.117 120.065 120.200 -0.029 0.000 2.150 512 E HA -0.108 4.243 4.350 0.001 0.000 0.193 512 E C 1.952 178.516 176.600 -0.060 0.000 0.985 512 E CA 0.693 57.068 56.400 -0.042 0.000 0.814 512 E CB -0.345 29.335 29.700 -0.034 0.000 0.752 512 E HN 0.591 nan 8.360 nan 0.000 0.466 513 I N 0.500 121.039 120.570 -0.051 0.000 2.233 513 I HA -0.160 4.011 4.170 0.001 0.000 0.243 513 I C 2.494 178.569 176.117 -0.070 0.000 1.093 513 I CA 0.897 62.160 61.300 -0.062 0.000 1.380 513 I CB -0.926 37.045 38.000 -0.049 0.000 1.067 513 I HN 0.095 nan 8.210 nan 0.000 0.413 514 R N 1.235 121.707 120.500 -0.046 0.000 2.096 514 R HA -0.175 4.166 4.340 0.001 0.000 0.235 514 R C 2.292 178.555 176.300 -0.061 0.000 1.127 514 R CA 1.400 57.478 56.100 -0.037 0.000 0.968 514 R CB 0.006 30.302 30.300 -0.006 0.000 0.861 514 R HN 0.241 nan 8.270 nan 0.000 0.440 515 K N 0.117 120.476 120.400 -0.069 0.000 2.032 515 K HA -0.180 4.141 4.320 0.001 0.000 0.209 515 K C 2.011 178.514 176.600 -0.163 0.000 1.048 515 K CA 1.368 57.604 56.287 -0.084 0.000 0.927 515 K CB -0.259 32.197 32.500 -0.073 0.000 0.712 515 K HN 0.078 nan 8.250 nan 0.000 0.441 516 L N 1.761 122.853 121.223 -0.219 0.000 2.043 516 L HA -0.218 4.123 4.340 0.001 0.000 0.212 516 L C 2.113 178.678 176.870 -0.509 0.000 1.075 516 L CA 1.691 56.270 54.840 -0.436 0.000 0.752 516 L CB -0.436 41.425 42.059 -0.329 0.000 0.891 516 L HN 0.124 nan 8.230 nan 0.000 0.432 517 R N -0.869 119.485 120.500 -0.243 0.000 2.096 517 R HA -0.144 4.197 4.340 0.001 0.000 0.235 517 R C 1.908 178.100 176.300 -0.179 0.000 1.127 517 R CA 1.351 57.350 56.100 -0.168 0.000 0.968 517 R CB -0.431 29.774 30.300 -0.159 0.000 0.861 517 R HN 0.452 nan 8.270 nan 0.000 0.440 518 D N 0.574 120.909 120.400 -0.109 0.000 2.144 518 D HA -0.148 4.492 4.640 0.001 0.000 0.200 518 D C 1.879 178.204 176.300 0.042 0.000 0.978 518 D CA 1.150 55.179 54.000 0.047 0.000 0.833 518 D CB 0.028 40.865 40.800 0.062 0.000 0.961 518 D HN 0.243 nan 8.370 nan 0.000 0.470 519 Q N -0.824 118.923 119.800 -0.089 0.000 2.124 519 Q HA -0.160 4.180 4.340 0.001 0.000 0.202 519 Q C 1.347 177.393 176.000 0.077 0.000 0.977 519 Q CA 1.043 56.796 55.803 -0.083 0.000 0.850 519 Q CB 0.080 28.646 28.738 -0.285 0.000 0.901 519 Q HN 0.349 nan 8.270 nan 0.000 0.429 520 Y N -0.146 120.165 120.300 0.018 0.000 2.511 520 Y HA 0.057 4.607 4.550 0.001 0.000 0.279 520 Y C 0.164 176.092 175.900 0.046 0.000 1.157 520 Y CA 0.273 58.386 58.100 0.023 0.000 1.300 520 Y CB 0.039 38.499 38.460 0.001 0.000 1.052 520 Y HN 0.121 nan 8.280 nan 0.000 0.529 521 D N 0.072 120.601 120.400 0.216 0.000 2.705 521 D HA -0.196 4.445 4.640 0.001 0.000 0.240 521 D C -0.978 175.452 176.300 0.216 0.000 1.137 521 D CA 0.212 54.375 54.000 0.273 0.000 0.677 521 D CB -1.247 39.691 40.800 0.229 0.000 1.049 521 D HN 0.141 nan 8.370 nan 0.000 0.427 522 L N 3.290 124.495 121.223 -0.031 0.000 2.297 522 L HA 0.448 4.788 4.340 0.001 0.000 0.277 522 L C -0.710 175.990 176.870 -0.282 0.000 1.040 522 L CA -0.312 54.526 54.840 -0.003 0.000 0.867 522 L CB 0.568 42.693 42.059 0.110 0.000 1.244 522 L HN 0.196 nan 8.230 nan 0.000 0.433 523 H N 4.139 123.297 119.070 0.147 0.000 2.797 523 H HA 0.608 5.165 4.556 0.001 0.000 0.372 523 H C -2.531 172.584 175.328 -0.354 0.000 1.168 523 H CA -1.693 54.357 56.048 0.002 0.000 1.163 523 H CB 1.884 31.647 29.762 0.002 0.000 1.778 523 H HN 0.356 nan 8.280 nan 0.000 0.551 524 P HA 0.147 nan 4.420 nan 0.000 0.279 524 P C -0.273 176.727 177.300 -0.500 0.000 1.276 524 P CA -0.491 62.034 63.100 -0.957 0.000 0.801 524 P CB 1.237 32.365 31.700 -0.953 0.000 1.127 525 V N -2.574 117.037 119.914 -0.505 0.000 3.096 525 V HA 0.579 4.699 4.120 0.001 0.000 0.319 525 V C -1.025 174.726 176.094 -0.571 0.000 1.103 525 V CA -0.990 61.121 62.300 -0.313 0.000 1.016 525 V CB 1.114 32.849 31.823 -0.147 0.000 1.090 525 V HN 0.341 nan 8.190 nan 0.000 0.449 526 Y N 0.917 121.145 120.300 -0.120 0.000 2.335 526 Y HA 0.671 5.221 4.550 0.001 0.000 0.338 526 Y C 0.453 176.171 175.900 -0.304 0.000 0.977 526 Y CA -0.711 57.284 58.100 -0.174 0.000 1.114 526 Y CB 1.808 40.265 38.460 -0.005 0.000 1.182 526 Y HN 0.523 nan 8.280 nan 0.000 0.463 527 K N 3.097 123.156 120.400 -0.567 0.000 2.168 527 K HA 0.609 4.930 4.320 0.001 0.000 0.239 527 K C -0.442 175.892 176.600 -0.443 0.000 0.999 527 K CA -0.971 55.002 56.287 -0.523 0.000 0.900 527 K CB 1.768 33.957 32.500 -0.519 0.000 1.111 527 K HN 0.699 nan 8.250 nan 0.000 0.452 528 R N 0.053 120.457 120.500 -0.160 0.000 2.778 528 R HA 0.442 4.783 4.340 0.001 0.000 0.277 528 R C -0.517 175.825 176.300 0.069 0.000 0.977 528 R CA -1.000 55.063 56.100 -0.061 0.000 0.950 528 R CB 1.609 31.902 30.300 -0.012 0.000 1.165 528 R HN 0.197 nan 8.270 nan 0.000 0.474 529 V N 2.320 122.231 119.914 -0.005 0.000 2.498 529 V HA 0.037 4.158 4.120 0.001 0.000 0.279 529 V C 0.199 176.386 176.094 0.155 0.000 1.048 529 V CA 0.417 62.753 62.300 0.059 0.000 0.967 529 V CB 1.237 32.877 31.823 -0.304 0.000 0.988 529 V HN 0.971 nan 8.190 nan 0.000 0.473 530 D N 1.006 121.538 120.400 0.220 0.000 2.516 530 D HA 0.033 4.673 4.640 0.001 0.000 0.241 530 D C 0.962 177.395 176.300 0.222 0.000 1.246 530 D CA 0.830 54.937 54.000 0.178 0.000 0.808 530 D CB 0.198 41.086 40.800 0.146 0.000 1.147 530 D HN 0.781 nan 8.370 nan 0.000 0.527 531 T N -2.222 112.498 114.554 0.276 0.000 6.412 531 T HA -0.341 4.010 4.350 0.001 0.000 0.279 531 T C 1.079 176.013 174.700 0.391 0.000 2.177 531 T CA 1.415 63.735 62.100 0.367 0.000 3.599 531 T CB -2.952 66.245 68.868 0.548 0.000 1.259 531 T HN 0.914 nan 8.240 nan 0.000 1.146 532 C N 0.224 119.692 119.300 0.279 0.000 3.486 532 C HA 0.881 5.342 4.460 0.001 0.000 0.264 532 C C 1.666 176.725 174.990 0.115 0.000 1.756 532 C CA -0.124 59.048 59.018 0.256 0.000 1.764 532 C CB -0.376 27.577 27.740 0.356 0.000 3.238 532 C HN 2.254 nan 8.230 nan 0.000 0.524 533 A N 0.358 123.220 122.820 0.071 0.000 2.822 533 A HA 0.258 4.579 4.320 0.001 0.000 0.287 533 A C 1.598 179.186 177.584 0.006 0.000 1.479 533 A CA 1.617 53.664 52.037 0.017 0.000 0.779 533 A CB -1.883 17.106 19.000 -0.018 0.000 1.022 533 A HN 2.829 nan 8.150 nan 0.000 0.532 534 A N -2.200 120.636 122.820 0.027 0.000 3.172 534 A HA -0.326 3.994 4.320 0.001 0.000 0.263 534 A C 1.189 178.701 177.584 -0.120 0.000 1.215 534 A CA 2.279 54.309 52.037 -0.012 0.000 1.065 534 A CB -2.286 16.712 19.000 -0.003 0.000 1.148 534 A HN 1.914 nan 8.150 nan 0.000 0.904 535 E N -1.652 118.414 120.200 -0.222 0.000 2.265 535 E HA 0.078 4.429 4.350 0.001 0.000 0.196 535 E C 0.110 176.094 176.600 -1.028 0.000 0.996 535 E CA 0.976 57.025 56.400 -0.587 0.000 0.832 535 E CB -0.011 29.240 29.700 -0.748 0.000 0.756 535 E HN 0.763 nan 8.360 nan 0.000 0.491 536 F N -0.920 119.023 119.950 -0.012 0.000 2.599 536 F HA 0.546 5.073 4.527 0.001 0.000 0.311 536 F C 0.072 175.862 175.800 -0.016 0.000 1.076 536 F CA -1.126 56.858 58.000 -0.026 0.000 0.937 536 F CB 1.430 40.395 39.000 -0.057 0.000 1.282 536 F HN -0.198 nan 8.300 nan 0.000 0.460 537 A N 0.764 123.680 122.820 0.160 0.000 2.287 537 A HA 0.677 4.998 4.320 0.001 0.000 0.273 537 A C -0.185 177.445 177.584 0.077 0.000 1.091 537 A CA -0.206 51.882 52.037 0.085 0.000 0.817 537 A CB 0.921 19.954 19.000 0.054 0.000 1.069 537 A HN 0.733 nan 8.150 nan 0.000 0.492 538 T N -1.319 113.262 114.554 0.045 0.000 2.907 538 T HA 0.487 4.837 4.350 0.001 0.000 0.292 538 T C -0.577 174.128 174.700 0.008 0.000 1.043 538 T CA -0.592 61.522 62.100 0.023 0.000 1.003 538 T CB 1.266 70.149 68.868 0.025 0.000 1.084 538 T HN 0.501 nan 8.240 nan 0.000 0.483 539 D N 1.698 122.095 120.400 -0.006 0.000 2.441 539 D HA 0.168 4.808 4.640 0.001 0.000 0.210 539 D C 0.317 176.612 176.300 -0.008 0.000 1.102 539 D CA 0.232 54.229 54.000 -0.005 0.000 0.840 539 D CB 0.663 41.460 40.800 -0.006 0.000 0.990 539 D HN 0.494 nan 8.370 nan 0.000 0.505 540 T N 0.813 115.355 114.554 -0.020 0.000 2.910 540 T HA 0.479 4.830 4.350 0.001 0.000 0.293 540 T C 0.307 175.010 174.700 0.005 0.000 1.015 540 T CA -0.385 61.702 62.100 -0.023 0.000 1.094 540 T CB 1.887 70.692 68.868 -0.106 0.000 0.968 540 T HN -0.041 nan 8.240 nan 0.000 0.521 541 A N 3.140 125.971 122.820 0.019 0.000 2.937 541 A HA 0.439 4.759 4.320 0.001 0.000 0.338 541 A C -0.966 176.646 177.584 0.048 0.000 1.273 541 A CA -0.482 51.551 52.037 -0.006 0.000 0.937 541 A CB -0.288 18.679 19.000 -0.056 0.000 1.133 541 A HN 0.719 nan 8.150 nan 0.000 0.491 542 Y N 2.949 123.209 120.300 -0.067 0.000 2.464 542 Y HA 0.706 5.256 4.550 0.001 0.000 0.326 542 Y C -0.590 175.303 175.900 -0.012 0.000 0.969 542 Y CA -1.786 56.312 58.100 -0.005 0.000 1.270 542 Y CB 0.662 39.154 38.460 0.054 0.000 1.103 542 Y HN 0.588 nan 8.280 nan 0.000 0.491 543 M N 6.119 125.735 119.600 0.027 0.000 2.761 543 M HA 0.571 5.052 4.480 0.001 0.000 0.305 543 M C -1.541 174.856 176.300 0.162 0.000 1.235 543 M CA -1.113 54.152 55.300 -0.059 0.000 0.850 543 M CB 2.757 35.243 32.600 -0.189 0.000 1.744 543 M HN 0.492 nan 8.290 nan 0.000 0.480 544 Y N -1.803 118.552 120.300 0.090 0.000 2.534 544 Y HA 0.789 5.340 4.550 0.001 0.000 0.345 544 Y C -0.680 175.272 175.900 0.087 0.000 1.031 544 Y CA -1.428 56.748 58.100 0.126 0.000 1.022 544 Y CB 0.820 39.238 38.460 -0.070 0.000 1.292 544 Y HN 0.729 nan 8.280 nan 0.000 0.459 545 S N 1.506 117.259 115.700 0.089 0.000 2.584 545 S HA 0.748 5.218 4.470 0.001 0.000 0.273 545 S C -0.296 174.243 174.600 -0.101 0.000 1.311 545 S CA 0.014 58.000 58.200 -0.356 0.000 1.034 545 S CB 1.660 64.631 63.200 -0.381 0.000 0.939 545 S HN 1.092 nan 8.310 nan 0.000 0.513 546 T N 0.740 115.135 114.554 -0.265 0.000 2.840 546 T HA 0.425 4.775 4.350 0.001 0.000 0.317 546 T C -2.062 172.524 174.700 -0.189 0.000 1.401 546 T CA -0.609 61.461 62.100 -0.051 0.000 1.028 546 T CB 0.744 69.677 68.868 0.110 0.000 1.317 546 T HN 0.585 nan 8.240 nan 0.000 0.495 547 Y N 2.356 122.648 120.300 -0.014 0.000 2.802 547 Y HA 0.519 5.069 4.550 0.001 0.000 0.330 547 Y C 0.850 176.755 175.900 0.008 0.000 1.193 547 Y CA -0.180 57.916 58.100 -0.007 0.000 1.427 547 Y CB 0.520 38.986 38.460 0.009 0.000 1.357 547 Y HN 0.609 nan 8.280 nan 0.000 0.501 548 E N -0.015 120.200 120.200 0.025 0.000 2.475 548 E HA 0.296 4.646 4.350 0.001 0.000 0.221 548 E C 0.392 177.004 176.600 0.020 0.000 0.793 548 E CA -0.513 55.910 56.400 0.039 0.000 0.922 548 E CB 1.161 30.882 29.700 0.035 0.000 1.778 548 E HN 0.263 nan 8.360 nan 0.000 0.392 549 E N 0.552 120.764 120.200 0.019 0.000 2.083 549 E HA 0.034 4.385 4.350 0.001 0.000 0.193 549 E C -0.098 176.506 176.600 0.007 0.000 0.950 549 E CA 0.407 56.818 56.400 0.018 0.000 0.849 549 E CB 0.036 29.750 29.700 0.024 0.000 0.827 549 E HN 0.384 nan 8.360 nan 0.000 0.465 550 E N 0.676 120.878 120.200 0.004 0.000 2.283 550 E HA 0.172 4.523 4.350 0.001 0.000 0.278 550 E C -1.028 175.566 176.600 -0.009 0.000 1.027 550 E CA -0.254 56.147 56.400 0.002 0.000 0.843 550 E CB 1.222 30.925 29.700 0.005 0.000 1.062 550 E HN 0.062 nan 8.360 nan 0.000 0.401 551 C N 4.212 123.515 119.300 0.004 0.000 2.376 551 C HA 0.374 4.835 4.460 0.001 0.000 0.335 551 C C 0.325 175.329 174.990 0.024 0.000 1.229 551 C CA -0.284 58.745 59.018 0.018 0.000 1.867 551 C CB 0.278 28.051 27.740 0.055 0.000 2.319 551 C HN 0.959 nan 8.230 nan 0.000 0.515 552 E N 2.930 123.146 120.200 0.026 0.000 2.624 552 E HA 0.164 4.515 4.350 0.001 0.000 0.210 552 E C 1.373 177.988 176.600 0.024 0.000 0.997 552 E CA 0.201 56.609 56.400 0.014 0.000 0.999 552 E CB 0.592 30.286 29.700 -0.010 0.000 1.040 552 E HN 0.789 nan 8.360 nan 0.000 0.469 553 A N 1.982 124.842 122.820 0.066 0.000 1.877 553 A HA -0.194 4.127 4.320 0.001 0.000 0.216 553 A C 0.848 178.440 177.584 0.013 0.000 1.186 553 A CA 0.763 52.825 52.037 0.042 0.000 0.620 553 A CB -0.344 18.698 19.000 0.071 0.000 0.822 553 A HN 0.308 nan 8.150 nan 0.000 0.443 554 N N -0.448 118.266 118.700 0.023 0.000 2.686 554 N HA -0.109 4.632 4.740 0.001 0.000 0.261 554 N C -2.492 173.024 175.510 0.010 0.000 1.001 554 N CA 1.194 54.252 53.050 0.013 0.000 0.764 554 N CB -1.726 36.766 38.487 0.008 0.000 0.898 554 N HN 0.485 nan 8.380 nan 0.000 0.544 555 P HA 0.073 nan 4.420 nan 0.000 0.268 555 P C 0.282 177.588 177.300 0.010 0.000 1.208 555 P CA -0.119 62.989 63.100 0.014 0.000 0.777 555 P CB 0.528 32.234 31.700 0.011 0.000 0.875 556 S N -0.022 115.686 115.700 0.013 0.000 2.614 556 S HA 0.361 4.832 4.470 0.001 0.000 0.265 556 S C 0.804 175.409 174.600 0.008 0.000 1.303 556 S CA 0.128 58.334 58.200 0.010 0.000 1.000 556 S CB 0.222 63.430 63.200 0.013 0.000 0.935 556 S HN 0.625 nan 8.310 nan 0.000 0.551 557 T N -3.111 111.446 114.554 0.006 0.000 3.058 557 T HA 0.238 4.589 4.350 0.001 0.000 0.278 557 T C 0.654 175.356 174.700 0.003 0.000 0.974 557 T CA -0.212 61.890 62.100 0.004 0.000 0.893 557 T CB 0.012 68.881 68.868 0.002 0.000 1.138 557 T HN 0.489 nan 8.240 nan 0.000 0.529 558 D N 2.086 122.488 120.400 0.003 0.000 2.085 558 D HA 0.091 4.732 4.640 0.001 0.000 0.199 558 D C 1.021 177.320 176.300 -0.003 0.000 0.981 558 D CA 0.902 54.902 54.000 -0.001 0.000 0.834 558 D CB 0.337 41.137 40.800 0.001 0.000 0.992 558 D HN 0.398 nan 8.370 nan 0.000 0.457 559 R N 0.326 120.829 120.500 0.005 0.000 2.856 559 R HA 0.418 4.758 4.340 0.001 0.000 0.258 559 R C -0.260 176.057 176.300 0.029 0.000 1.066 559 R CA -0.647 55.456 56.100 0.005 0.000 1.045 559 R CB 1.220 31.527 30.300 0.012 0.000 1.178 559 R HN 0.024 nan 8.270 nan 0.000 0.499 560 E N 1.958 122.184 120.200 0.043 0.000 2.194 560 E HA 0.167 4.518 4.350 0.001 0.000 0.284 560 E C -0.797 175.929 176.600 0.210 0.000 1.035 560 E CA -0.174 56.297 56.400 0.118 0.000 0.836 560 E CB 1.197 30.992 29.700 0.158 0.000 1.070 560 E HN 0.121 nan 8.360 nan 0.000 0.401 561 K N 2.887 123.374 120.400 0.145 0.000 2.164 561 K HA 0.496 4.817 4.320 0.001 0.000 0.258 561 K C -0.481 176.148 176.600 0.048 0.000 0.951 561 K CA -0.723 55.627 56.287 0.106 0.000 0.844 561 K CB 1.397 33.928 32.500 0.053 0.000 1.099 561 K HN 0.332 nan 8.250 nan 0.000 0.435 562 I N 3.157 123.730 120.570 0.005 0.000 2.498 562 I HA 0.338 4.508 4.170 0.001 0.000 0.290 562 I C -0.559 175.524 176.117 -0.056 0.000 1.032 562 I CA -0.658 60.588 61.300 -0.089 0.000 1.073 562 I CB 1.774 39.638 38.000 -0.227 0.000 1.251 562 I HN 0.734 nan 8.210 nan 0.000 0.426 563 M N 6.968 126.527 119.600 -0.067 0.000 2.311 563 M HA 0.617 5.098 4.480 0.001 0.000 0.325 563 M C -1.782 174.479 176.300 -0.065 0.000 1.061 563 M CA -0.524 54.749 55.300 -0.046 0.000 0.957 563 M CB 1.849 34.422 32.600 -0.044 0.000 1.646 563 M HN 0.276 nan 8.290 nan 0.000 0.434 564 V N 6.434 126.323 119.914 -0.041 0.000 2.370 564 V HA 0.420 4.540 4.120 0.001 0.000 0.283 564 V C -0.231 175.856 176.094 -0.013 0.000 1.023 564 V CA -0.678 61.598 62.300 -0.040 0.000 0.857 564 V CB 1.295 33.106 31.823 -0.020 0.000 0.985 564 V HN 0.829 nan 8.190 nan 0.000 0.443 565 L N 4.683 125.896 121.223 -0.016 0.000 2.275 565 L HA 0.636 4.977 4.340 0.001 0.000 0.288 565 L C 1.081 177.958 176.870 0.011 0.000 1.046 565 L CA -0.158 54.677 54.840 -0.009 0.000 0.805 565 L CB 1.172 43.218 42.059 -0.022 0.000 1.193 565 L HN 0.765 nan 8.230 nan 0.000 0.426 566 G N 1.429 110.228 108.800 -0.001 0.000 2.588 566 G HA2 0.360 4.321 3.960 0.001 0.000 0.278 566 G HA3 0.360 4.321 3.960 0.001 0.000 0.278 566 G C 0.757 175.649 174.900 -0.013 0.000 1.307 566 G CA 0.005 45.107 45.100 0.003 0.000 1.016 566 G HN 0.776 nan 8.290 nan 0.000 0.503 567 G N -1.580 107.213 108.800 -0.012 0.000 3.337 567 G HA2 0.528 4.489 3.960 0.001 0.000 0.246 567 G HA3 0.528 4.489 3.960 0.001 0.000 0.246 567 G C 0.966 175.836 174.900 -0.050 0.000 1.131 567 G CA 0.840 45.915 45.100 -0.041 0.000 0.773 567 G HN 1.790 nan 8.290 nan 0.000 0.544 568 G N 0.831 109.597 108.800 -0.057 0.000 2.598 568 G HA2 -0.189 3.772 3.960 0.001 0.000 0.244 568 G HA3 -0.189 3.772 3.960 0.001 0.000 0.244 568 G C -2.346 172.525 174.900 -0.047 0.000 1.302 568 G CA -0.322 44.742 45.100 -0.060 0.000 0.903 568 G HN 0.363 nan 8.290 nan 0.000 0.575 569 P HA 0.167 nan 4.420 nan 0.000 0.269 569 P C -0.030 177.254 177.300 -0.028 0.000 1.209 569 P CA 0.086 63.166 63.100 -0.032 0.000 0.776 569 P CB 0.140 31.822 31.700 -0.031 0.000 0.876 570 N N 2.212 120.899 118.700 -0.022 0.000 2.508 570 N HA 0.333 5.074 4.740 0.001 0.000 0.264 570 N C 0.124 175.622 175.510 -0.019 0.000 1.216 570 N CA -0.180 52.867 53.050 -0.005 0.000 0.943 570 N CB 0.389 38.880 38.487 0.006 0.000 1.113 570 N HN 0.337 nan 8.380 nan 0.000 0.447 571 R N 0.503 120.999 120.500 -0.007 0.000 2.831 571 R HA 0.490 4.831 4.340 0.001 0.000 0.266 571 R C -0.953 175.349 176.300 0.003 0.000 1.051 571 R CA -0.892 55.200 56.100 -0.013 0.000 0.943 571 R CB 0.437 30.724 30.300 -0.022 0.000 1.228 571 R HN 0.394 nan 8.270 nan 0.000 0.467 572 I N 1.607 122.176 120.570 -0.001 0.000 2.618 572 I HA 0.205 4.376 4.170 0.001 0.000 0.284 572 I C 1.185 177.290 176.117 -0.021 0.000 1.146 572 I CA 1.670 62.966 61.300 -0.006 0.000 1.425 572 I CB 0.662 38.657 38.000 -0.009 0.000 1.383 572 I HN 0.924 nan 8.210 nan 0.000 0.562 573 G N 4.515 113.322 108.800 0.010 0.000 2.225 573 G HA2 -0.231 3.730 3.960 0.001 0.000 0.254 573 G HA3 -0.231 3.730 3.960 0.001 0.000 0.254 573 G C 0.429 175.434 174.900 0.175 0.000 0.988 573 G CA -0.303 44.829 45.100 0.053 0.000 0.625 573 G HN 0.527 nan 8.290 nan 0.000 0.527 574 Q N 1.039 120.912 119.800 0.122 0.000 2.628 574 Q HA 0.499 4.840 4.340 0.001 0.000 0.397 574 Q C 0.936 177.080 176.000 0.240 0.000 0.916 574 Q CA 0.392 56.253 55.803 0.097 0.000 1.071 574 Q CB 0.595 29.288 28.738 -0.075 0.000 1.367 574 Q HN 0.569 nan 8.270 nan 0.000 0.404 575 G N 0.090 109.105 108.800 0.358 0.000 2.509 575 G HA2 0.257 4.218 3.960 0.001 0.000 0.269 575 G HA3 0.257 4.218 3.960 0.001 0.000 0.269 575 G C 0.840 175.849 174.900 0.182 0.000 1.416 575 G CA -0.546 44.668 45.100 0.189 0.000 1.052 575 G HN 0.426 nan 8.290 nan 0.000 0.542 576 I N -0.394 120.217 120.570 0.067 0.000 2.423 576 I HA -0.146 4.025 4.170 0.001 0.000 0.254 576 I C 2.590 178.716 176.117 0.014 0.000 1.151 576 I CA 1.480 62.812 61.300 0.053 0.000 1.421 576 I CB -0.030 37.990 38.000 0.034 0.000 1.079 576 I HN 0.615 nan 8.210 nan 0.000 0.431 577 E N 0.392 120.512 120.200 -0.134 0.000 2.097 577 E HA -0.261 4.089 4.350 0.001 0.000 0.196 577 E C 1.862 178.270 176.600 -0.320 0.000 1.000 577 E CA 1.978 58.178 56.400 -0.333 0.000 0.804 577 E CB -0.385 28.963 29.700 -0.586 0.000 0.740 577 E HN 0.527 nan 8.360 nan 0.000 0.454 578 F N 0.402 120.359 119.950 0.012 0.000 2.206 578 F HA -0.046 4.482 4.527 0.001 0.000 0.298 578 F C 2.091 177.910 175.800 0.032 0.000 1.090 578 F CA 1.183 59.186 58.000 0.006 0.000 1.323 578 F CB -0.470 38.532 39.000 0.004 0.000 1.028 578 F HN -0.027 nan 8.300 nan 0.000 0.492 579 D N -1.025 119.498 120.400 0.204 0.000 2.144 579 D HA -0.255 4.386 4.640 0.001 0.000 0.199 579 D C 2.144 178.505 176.300 0.101 0.000 0.984 579 D CA 0.974 55.055 54.000 0.135 0.000 0.834 579 D CB -0.247 40.614 40.800 0.101 0.000 0.955 579 D HN 0.291 nan 8.370 nan 0.000 0.465 580 Y N 0.565 120.828 120.300 -0.061 0.000 2.081 580 Y HA -0.350 4.201 4.550 0.001 0.000 0.280 580 Y C 2.342 178.136 175.900 -0.176 0.000 1.163 580 Y CA 1.881 59.895 58.100 -0.143 0.000 1.135 580 Y CB -0.514 37.815 38.460 -0.218 0.000 0.970 580 Y HN 0.147 nan 8.280 nan 0.000 0.498 581 C N -0.722 118.569 119.300 -0.015 0.000 2.413 581 C HA -0.263 4.198 4.460 0.001 0.000 0.276 581 C C 2.977 178.024 174.990 0.095 0.000 1.236 581 C CA 1.002 59.942 59.018 -0.130 0.000 1.735 581 C CB -1.773 25.735 27.740 -0.386 0.000 2.031 581 C HN 0.797 nan 8.230 nan 0.000 0.474 582 C N 0.392 119.792 119.300 0.166 0.000 2.398 582 C HA -0.118 4.343 4.460 0.001 0.000 0.276 582 C C 2.774 177.850 174.990 0.145 0.000 1.222 582 C CA 1.298 60.450 59.018 0.225 0.000 1.746 582 C CB -1.396 26.438 27.740 0.157 0.000 2.039 582 C HN 0.557 nan 8.230 nan 0.000 0.470 583 V N -0.242 119.713 119.914 0.069 0.000 2.295 583 V HA -0.267 3.853 4.120 0.001 0.000 0.246 583 V C 2.289 178.452 176.094 0.115 0.000 1.049 583 V CA 2.121 64.456 62.300 0.059 0.000 1.024 583 V CB -0.948 30.886 31.823 0.018 0.000 0.648 583 V HN 0.666 nan 8.190 nan 0.000 0.447 584 H N -0.408 118.592 119.070 -0.118 0.000 2.387 584 H HA -0.163 4.394 4.556 0.001 0.000 0.299 584 H C 2.333 177.678 175.328 0.028 0.000 1.099 584 H CA 1.183 57.179 56.048 -0.086 0.000 1.315 584 H CB 0.058 29.733 29.762 -0.144 0.000 1.380 584 H HN 0.495 nan 8.280 nan 0.000 0.513 585 A N 0.415 123.376 122.820 0.236 0.000 1.858 585 A HA -0.221 4.100 4.320 0.001 0.000 0.216 585 A C 2.591 180.204 177.584 0.048 0.000 1.190 585 A CA 1.804 53.926 52.037 0.141 0.000 0.617 585 A CB -0.927 18.123 19.000 0.084 0.000 0.827 585 A HN 0.397 nan 8.150 nan 0.000 0.443 586 S N -0.288 115.442 115.700 0.050 0.000 2.359 586 S HA -0.170 4.300 4.470 0.001 0.000 0.223 586 S C 1.998 176.610 174.600 0.019 0.000 1.039 586 S CA 1.737 59.954 58.200 0.028 0.000 1.042 586 S CB -0.605 62.615 63.200 0.033 0.000 0.915 586 S HN 0.460 nan 8.310 nan 0.000 0.439 587 L N 0.952 122.176 121.223 0.002 0.000 2.042 587 L HA -0.107 4.234 4.340 0.001 0.000 0.210 587 L C 3.025 179.878 176.870 -0.027 0.000 1.076 587 L CA 1.367 56.187 54.840 -0.033 0.000 0.749 587 L CB -0.891 41.106 42.059 -0.104 0.000 0.893 587 L HN 0.467 nan 8.230 nan 0.000 0.432 588 A N 0.388 123.193 122.820 -0.024 0.000 1.841 588 A HA -0.138 4.183 4.320 0.001 0.000 0.214 588 A C 2.183 179.797 177.584 0.049 0.000 1.195 588 A CA 1.336 53.372 52.037 -0.001 0.000 0.611 588 A CB -0.808 18.198 19.000 0.010 0.000 0.835 588 A HN 0.359 nan 8.150 nan 0.000 0.443 589 L N -1.034 120.223 121.223 0.056 0.000 2.265 589 L HA -0.121 4.220 4.340 0.001 0.000 0.215 589 L C 2.709 179.707 176.870 0.214 0.000 1.117 589 L CA 1.300 56.222 54.840 0.137 0.000 0.782 589 L CB -0.488 41.552 42.059 -0.032 0.000 0.914 589 L HN 0.460 nan 8.230 nan 0.000 0.441 590 R N 0.810 121.375 120.500 0.108 0.000 2.062 590 R HA -0.203 4.138 4.340 0.001 0.000 0.229 590 R C 2.277 178.615 176.300 0.063 0.000 1.128 590 R CA 1.682 57.835 56.100 0.088 0.000 0.960 590 R CB -0.059 30.270 30.300 0.048 0.000 0.855 590 R HN 0.376 nan 8.270 nan 0.000 0.432 591 E N 0.363 120.589 120.200 0.043 0.000 2.085 591 E HA -0.207 4.144 4.350 0.001 0.000 0.194 591 E C 0.789 177.404 176.600 0.026 0.000 0.994 591 E CA 1.831 58.243 56.400 0.021 0.000 0.801 591 E CB -0.065 29.638 29.700 0.005 0.000 0.743 591 E HN 0.283 nan 8.360 nan 0.000 0.453 592 D N -0.940 119.498 120.400 0.064 0.000 2.378 592 D HA 0.043 4.683 4.640 0.001 0.000 0.227 592 D C 0.991 177.261 176.300 -0.050 0.000 1.012 592 D CA 1.106 55.138 54.000 0.053 0.000 0.905 592 D CB 0.421 41.322 40.800 0.167 0.000 0.895 592 D HN 0.456 nan 8.370 nan 0.000 0.532 593 G N -0.923 107.847 108.800 -0.050 0.000 2.179 593 G HA2 -0.261 3.700 3.960 0.001 0.000 0.220 593 G HA3 -0.261 3.700 3.960 0.001 0.000 0.220 593 G C -0.028 174.740 174.900 -0.219 0.000 0.990 593 G CA -0.458 44.549 45.100 -0.155 0.000 0.646 593 G HN 0.287 nan 8.290 nan 0.000 0.517 594 Y N 0.701 120.998 120.300 -0.005 0.000 2.316 594 Y HA 0.568 5.118 4.550 0.001 0.000 0.324 594 Y C 0.867 176.766 175.900 -0.002 0.000 1.267 594 Y CA -0.500 57.597 58.100 -0.005 0.000 1.311 594 Y CB 0.889 39.344 38.460 -0.008 0.000 1.267 594 Y HN 0.135 nan 8.280 nan 0.000 0.516 595 E N 1.620 121.932 120.200 0.185 0.000 2.089 595 E HA 0.146 4.497 4.350 0.001 0.000 0.284 595 E C -0.854 175.811 176.600 0.109 0.000 1.023 595 E CA -0.498 55.967 56.400 0.109 0.000 0.819 595 E CB 0.507 30.250 29.700 0.072 0.000 1.076 595 E HN 0.671 nan 8.360 nan 0.000 0.396 596 T N 2.593 117.200 114.554 0.087 0.000 2.771 596 T HA 0.482 4.832 4.350 0.001 0.000 0.291 596 T C 0.117 174.854 174.700 0.061 0.000 0.954 596 T CA -0.686 61.451 62.100 0.062 0.000 1.045 596 T CB 0.366 69.264 68.868 0.050 0.000 0.917 596 T HN 0.320 nan 8.240 nan 0.000 0.484 597 I N 3.878 124.484 120.570 0.060 0.000 2.382 597 I HA 0.379 4.550 4.170 0.001 0.000 0.285 597 I C -0.233 175.937 176.117 0.088 0.000 1.007 597 I CA -0.961 60.398 61.300 0.097 0.000 1.142 597 I CB 1.707 39.785 38.000 0.131 0.000 1.289 597 I HN 0.547 nan 8.210 nan 0.000 0.453 598 M N 7.746 127.408 119.600 0.104 0.000 2.264 598 M HA 0.508 4.988 4.480 0.001 0.000 0.352 598 M C -1.156 175.214 176.300 0.117 0.000 1.173 598 M CA -0.316 55.032 55.300 0.080 0.000 1.075 598 M CB 1.409 34.043 32.600 0.055 0.000 1.621 598 M HN 0.310 nan 8.290 nan 0.000 0.457 599 V N 5.609 125.560 119.914 0.062 0.000 2.407 599 V HA 0.718 4.839 4.120 0.001 0.000 0.291 599 V C -0.579 175.498 176.094 -0.028 0.000 1.018 599 V CA -0.614 61.716 62.300 0.050 0.000 0.842 599 V CB 1.215 33.050 31.823 0.020 0.000 0.996 599 V HN 0.939 nan 8.190 nan 0.000 0.426 600 N N 2.484 121.119 118.700 -0.109 0.000 3.265 600 N HA 0.392 5.133 4.740 0.001 0.000 0.235 600 N C -0.410 174.772 175.510 -0.547 0.000 1.343 600 N CA -0.187 52.727 53.050 -0.225 0.000 0.904 600 N CB 1.792 40.178 38.487 -0.167 0.000 1.492 600 N HN 0.708 nan 8.380 nan 0.000 0.504 601 C N -0.082 118.902 119.300 -0.526 0.000 3.226 601 C HA 0.531 4.991 4.460 0.001 0.000 0.258 601 C C 0.109 174.891 174.990 -0.347 0.000 1.688 601 C CA -0.958 57.582 59.018 -0.798 0.000 1.774 601 C CB -1.550 26.042 27.740 -0.247 0.000 3.167 601 C HN 0.576 nan 8.230 nan 0.000 0.509 602 N N 3.083 121.627 118.700 -0.261 0.000 2.420 602 N HA 0.330 5.071 4.740 0.001 0.000 0.249 602 N C -1.302 174.222 175.510 0.024 0.000 1.033 602 N CA -2.070 50.940 53.050 -0.066 0.000 0.944 602 N CB 1.569 40.015 38.487 -0.070 0.000 1.113 602 N HN 0.242 nan 8.380 nan 0.000 0.502 603 P HA -0.027 nan 4.420 nan 0.000 0.229 603 P C 0.278 177.528 177.300 -0.083 0.000 1.160 603 P CA 1.028 64.220 63.100 0.153 0.000 0.777 603 P CB 0.452 32.226 31.700 0.124 0.000 0.814 604 E N -0.296 119.854 120.200 -0.083 0.000 2.435 604 E HA -0.002 4.349 4.350 0.001 0.000 0.195 604 E C 0.678 177.201 176.600 -0.128 0.000 1.029 604 E CA 0.503 56.829 56.400 -0.124 0.000 0.865 604 E CB -0.099 29.549 29.700 -0.085 0.000 0.833 604 E HN 0.382 nan 8.360 nan 0.000 0.510 605 T N -2.710 111.768 114.554 -0.127 0.000 2.927 605 T HA 0.218 4.568 4.350 0.001 0.000 0.281 605 T C 1.314 175.981 174.700 -0.055 0.000 0.998 605 T CA -0.823 61.246 62.100 -0.053 0.000 1.019 605 T CB 1.888 70.742 68.868 -0.023 0.000 1.061 605 T HN -0.250 nan 8.240 nan 0.000 0.518 606 V N 1.625 121.587 119.914 0.079 0.000 2.515 606 V HA -0.165 3.956 4.120 0.001 0.000 0.250 606 V C 3.049 179.166 176.094 0.039 0.000 1.058 606 V CA 2.233 64.609 62.300 0.128 0.000 1.064 606 V CB -1.136 30.759 31.823 0.121 0.000 0.675 606 V HN 1.116 nan 8.190 nan 0.000 0.461 607 S N 0.986 116.692 115.700 0.011 0.000 2.400 607 S HA -0.197 4.274 4.470 0.001 0.000 0.232 607 S C 1.722 176.304 174.600 -0.030 0.000 1.025 607 S CA 1.751 59.949 58.200 -0.004 0.000 0.993 607 S CB -0.788 62.411 63.200 -0.002 0.000 0.808 607 S HN 0.727 nan 8.310 nan 0.000 0.478 608 T N -1.127 113.392 114.554 -0.058 0.000 3.206 608 T HA 0.233 4.583 4.350 0.001 0.000 0.253 608 T C -0.045 174.611 174.700 -0.073 0.000 1.042 608 T CA -0.376 61.709 62.100 -0.026 0.000 0.931 608 T CB -0.227 68.666 68.868 0.042 0.000 1.029 608 T HN 0.283 nan 8.240 nan 0.000 0.564 609 D N 1.550 121.890 120.400 -0.099 0.000 2.312 609 D HA 0.072 4.713 4.640 0.001 0.000 0.252 609 D C 1.118 177.278 176.300 -0.232 0.000 1.150 609 D CA -0.775 53.136 54.000 -0.149 0.000 0.870 609 D CB 0.828 41.636 40.800 0.012 0.000 1.153 609 D HN 0.435 nan 8.370 nan 0.000 0.457 610 Y N 2.092 122.286 120.300 -0.177 0.000 2.315 610 Y HA -0.114 4.436 4.550 0.001 0.000 0.288 610 Y C 1.287 177.152 175.900 -0.057 0.000 1.154 610 Y CA 0.858 58.851 58.100 -0.178 0.000 1.229 610 Y CB -0.428 37.883 38.460 -0.249 0.000 0.980 610 Y HN 0.239 nan 8.280 nan 0.000 0.540 611 D N 0.225 120.492 120.400 -0.221 0.000 2.312 611 D HA -0.087 4.554 4.640 0.001 0.000 0.211 611 D C 1.702 177.989 176.300 -0.021 0.000 0.964 611 D CA 1.426 55.395 54.000 -0.052 0.000 0.877 611 D CB -0.158 40.563 40.800 -0.132 0.000 0.924 611 D HN 0.510 nan 8.370 nan 0.000 0.515 612 T N -0.387 114.147 114.554 -0.034 0.000 2.951 612 T HA -0.033 4.318 4.350 0.001 0.000 0.268 612 T C 1.190 175.898 174.700 0.013 0.000 1.073 612 T CA 0.731 62.827 62.100 -0.008 0.000 1.134 612 T CB 0.158 69.023 68.868 -0.005 0.000 0.884 612 T HN 0.224 nan 8.240 nan 0.000 0.479 613 S N -0.387 115.329 115.700 0.027 0.000 2.697 613 S HA 0.411 4.882 4.470 0.001 0.000 0.289 613 S C -0.044 174.585 174.600 0.049 0.000 1.149 613 S CA -0.930 57.293 58.200 0.039 0.000 0.850 613 S CB 1.728 64.954 63.200 0.044 0.000 1.151 613 S HN -0.077 nan 8.310 nan 0.000 0.491 614 D N 0.612 121.041 120.400 0.048 0.000 2.123 614 D HA 0.072 4.713 4.640 0.001 0.000 0.200 614 D C 0.232 176.554 176.300 0.037 0.000 0.976 614 D CA 1.162 55.190 54.000 0.045 0.000 0.831 614 D CB 0.107 40.933 40.800 0.044 0.000 0.974 614 D HN 0.448 nan 8.370 nan 0.000 0.469 615 R N 0.072 120.593 120.500 0.036 0.000 2.575 615 R HA 0.497 4.837 4.340 0.001 0.000 0.293 615 R C -1.201 175.105 176.300 0.010 0.000 0.983 615 R CA -0.753 55.342 56.100 -0.008 0.000 0.887 615 R CB 2.381 32.670 30.300 -0.017 0.000 1.184 615 R HN -0.081 nan 8.270 nan 0.000 0.445 616 L N 2.986 124.189 121.223 -0.032 0.000 2.349 616 L HA 0.457 4.798 4.340 0.001 0.000 0.278 616 L C -1.689 175.193 176.870 0.020 0.000 0.996 616 L CA -0.493 54.390 54.840 0.071 0.000 0.825 616 L CB 1.071 43.219 42.059 0.149 0.000 1.243 616 L HN 0.529 nan 8.230 nan 0.000 0.412 617 Y N 5.258 125.654 120.300 0.160 0.000 2.417 617 Y HA 0.327 4.878 4.550 0.001 0.000 0.336 617 Y C -0.425 175.604 175.900 0.215 0.000 0.961 617 Y CA -0.185 58.025 58.100 0.183 0.000 1.215 617 Y CB 1.096 39.602 38.460 0.076 0.000 1.120 617 Y HN 0.550 nan 8.280 nan 0.000 0.499 618 F N 4.684 124.830 119.950 0.327 0.000 2.652 618 F HA 0.239 4.766 4.527 0.001 0.000 0.352 618 F C 0.020 175.948 175.800 0.213 0.000 1.259 618 F CA 0.013 58.170 58.000 0.263 0.000 1.249 618 F CB -0.315 38.856 39.000 0.285 0.000 1.628 618 F HN 0.429 nan 8.300 nan 0.000 0.654 619 E N 3.639 123.942 120.200 0.172 0.000 2.410 619 E HA 0.380 4.731 4.350 0.001 0.000 0.269 619 E C -2.675 173.962 176.600 0.062 0.000 0.937 619 E CA -2.349 54.162 56.400 0.184 0.000 0.793 619 E CB 1.486 31.317 29.700 0.219 0.000 1.314 619 E HN 0.035 nan 8.360 nan 0.000 0.447 620 P HA 0.031 nan 4.420 nan 0.000 0.267 620 P C 0.017 177.330 177.300 0.021 0.000 1.205 620 P CA -0.014 63.109 63.100 0.039 0.000 0.765 620 P CB 0.303 32.034 31.700 0.051 0.000 0.828 621 V N 4.224 124.134 119.914 -0.007 0.000 2.055 621 V HA 0.106 4.227 4.120 0.001 0.000 0.248 621 V C 1.024 177.113 176.094 -0.009 0.000 1.476 621 V CA 0.354 62.645 62.300 -0.015 0.000 1.417 621 V CB -1.455 30.348 31.823 -0.033 0.000 1.465 621 V HN 0.678 nan 8.190 nan 0.000 0.502 622 T N -0.735 113.821 114.554 0.004 0.000 2.907 622 T HA 0.556 4.907 4.350 0.001 0.000 0.290 622 T C 0.662 175.365 174.700 0.006 0.000 1.066 622 T CA -0.697 61.406 62.100 0.005 0.000 1.012 622 T CB 2.106 70.986 68.868 0.019 0.000 1.184 622 T HN 0.068 nan 8.240 nan 0.000 0.522 623 L N 0.768 121.994 121.223 0.005 0.000 2.017 623 L HA 0.051 4.391 4.340 0.001 0.000 0.208 623 L C 2.727 179.609 176.870 0.019 0.000 1.073 623 L CA 2.322 57.165 54.840 0.005 0.000 0.745 623 L CB -0.835 41.225 42.059 0.003 0.000 0.894 623 L HN 0.996 nan 8.230 nan 0.000 0.432 624 E N -0.630 119.588 120.200 0.030 0.000 2.070 624 E HA -0.285 4.065 4.350 0.001 0.000 0.197 624 E C 1.692 178.330 176.600 0.063 0.000 1.004 624 E CA 1.972 58.403 56.400 0.050 0.000 0.805 624 E CB -0.237 29.499 29.700 0.060 0.000 0.744 624 E HN 0.628 nan 8.360 nan 0.000 0.451 625 D N 0.029 120.464 120.400 0.059 0.000 2.117 625 D HA -0.128 4.513 4.640 0.001 0.000 0.198 625 D C 2.173 178.495 176.300 0.036 0.000 0.982 625 D CA 1.230 55.273 54.000 0.070 0.000 0.828 625 D CB -0.002 40.846 40.800 0.081 0.000 0.967 625 D HN 0.178 nan 8.370 nan 0.000 0.464 626 V N 1.616 121.533 119.914 0.004 0.000 2.427 626 V HA -0.175 3.946 4.120 0.001 0.000 0.248 626 V C 2.645 178.713 176.094 -0.043 0.000 1.051 626 V CA 0.923 63.200 62.300 -0.038 0.000 1.048 626 V CB -0.361 31.442 31.823 -0.033 0.000 0.666 626 V HN 0.182 nan 8.190 nan 0.000 0.456 627 L N -0.497 120.722 121.223 -0.007 0.000 2.056 627 L HA -0.120 4.221 4.340 0.001 0.000 0.207 627 L C 2.758 179.636 176.870 0.012 0.000 1.078 627 L CA 1.284 56.124 54.840 0.001 0.000 0.749 627 L CB -0.591 41.484 42.059 0.027 0.000 0.901 627 L HN 0.319 nan 8.230 nan 0.000 0.433 628 E N 0.250 120.482 120.200 0.054 0.000 2.153 628 E HA -0.190 4.160 4.350 0.001 0.000 0.194 628 E C 2.214 178.831 176.600 0.029 0.000 0.988 628 E CA 1.220 57.682 56.400 0.104 0.000 0.811 628 E CB -0.101 29.712 29.700 0.189 0.000 0.746 628 E HN 0.544 nan 8.360 nan 0.000 0.466 629 I N 0.171 120.680 120.570 -0.100 0.000 2.286 629 I HA -0.193 3.978 4.170 0.001 0.000 0.245 629 I C 2.320 178.273 176.117 -0.273 0.000 1.104 629 I CA 0.459 61.533 61.300 -0.375 0.000 1.397 629 I CB -0.091 37.558 38.000 -0.585 0.000 1.072 629 I HN -0.075 nan 8.210 nan 0.000 0.417 630 V N 0.977 120.792 119.914 -0.165 0.000 2.343 630 V HA -0.292 3.829 4.120 0.001 0.000 0.247 630 V C 2.622 178.664 176.094 -0.087 0.000 1.051 630 V CA 1.863 64.095 62.300 -0.114 0.000 1.036 630 V CB -0.826 30.952 31.823 -0.076 0.000 0.654 630 V HN 0.432 nan 8.190 nan 0.000 0.451 631 R N 0.645 121.103 120.500 -0.070 0.000 2.113 631 R HA -0.212 4.129 4.340 0.001 0.000 0.244 631 R C 2.214 178.470 176.300 -0.074 0.000 1.142 631 R CA 2.597 58.660 56.100 -0.062 0.000 0.953 631 R CB -0.301 29.968 30.300 -0.051 0.000 0.860 631 R HN 0.724 nan 8.270 nan 0.000 0.438 632 I N -3.194 117.324 120.570 -0.087 0.000 3.462 632 I HA 0.096 4.266 4.170 0.001 0.000 0.290 632 I C 1.120 177.196 176.117 -0.069 0.000 1.236 632 I CA 0.483 61.739 61.300 -0.072 0.000 1.418 632 I CB -0.057 37.908 38.000 -0.059 0.000 1.102 632 I HN 0.007 nan 8.210 nan 0.000 0.441 633 E N 2.058 122.201 120.200 -0.095 0.000 2.190 633 E HA 0.005 4.356 4.350 0.001 0.000 0.191 633 E C 0.089 176.665 176.600 -0.040 0.000 0.978 633 E CA 0.178 56.541 56.400 -0.061 0.000 0.839 633 E CB 0.052 29.703 29.700 -0.081 0.000 0.787 633 E HN 0.450 nan 8.360 nan 0.000 0.473 634 K N 1.416 121.786 120.400 -0.050 0.000 4.007 634 K HA -0.149 4.172 4.320 0.001 0.000 0.279 634 K C -2.453 174.134 176.600 -0.022 0.000 0.919 634 K CA 0.135 56.402 56.287 -0.033 0.000 0.800 634 K CB -1.073 31.413 32.500 -0.024 0.000 1.572 634 K HN 0.206 nan 8.250 nan 0.000 0.443 635 P HA -0.041 nan 4.420 nan 0.000 0.273 635 P C 0.358 177.653 177.300 -0.008 0.000 1.250 635 P CA -0.245 62.846 63.100 -0.015 0.000 0.793 635 P CB 0.874 32.556 31.700 -0.032 0.000 1.011 636 K N -0.115 120.288 120.400 0.005 0.000 2.116 636 K HA 0.081 4.402 4.320 0.001 0.000 0.203 636 K C 0.769 177.357 176.600 -0.021 0.000 1.052 636 K CA 1.112 57.404 56.287 0.008 0.000 0.952 636 K CB -0.288 32.241 32.500 0.049 0.000 0.729 636 K HN 0.691 nan 8.250 nan 0.000 0.446 637 G N -0.299 108.472 108.800 -0.048 0.000 2.704 637 G HA2 0.487 4.448 3.960 0.001 0.000 0.293 637 G HA3 0.487 4.448 3.960 0.001 0.000 0.293 637 G C -1.880 172.968 174.900 -0.087 0.000 1.421 637 G CA -0.638 44.419 45.100 -0.072 0.000 0.870 637 G HN -0.039 nan 8.290 nan 0.000 0.492 638 V N 1.410 121.272 119.914 -0.087 0.000 2.483 638 V HA 0.424 4.545 4.120 0.001 0.000 0.297 638 V C -0.160 175.869 176.094 -0.108 0.000 1.027 638 V CA -0.576 61.671 62.300 -0.089 0.000 0.855 638 V CB 1.527 33.309 31.823 -0.068 0.000 0.995 638 V HN 0.654 nan 8.190 nan 0.000 0.424 639 I N 5.213 125.701 120.570 -0.138 0.000 2.342 639 I HA 0.249 4.420 4.170 0.001 0.000 0.291 639 I C 0.860 176.907 176.117 -0.117 0.000 1.010 639 I CA -0.118 61.073 61.300 -0.181 0.000 1.308 639 I CB 1.716 39.530 38.000 -0.309 0.000 1.400 639 I HN 0.617 nan 8.210 nan 0.000 0.488 640 V N 2.129 121.993 119.914 -0.083 0.000 3.432 640 V HA 0.197 4.318 4.120 0.001 0.000 0.298 640 V C 0.905 177.008 176.094 0.016 0.000 1.464 640 V CA 0.145 62.426 62.300 -0.032 0.000 1.046 640 V CB 0.199 32.003 31.823 -0.033 0.000 0.887 640 V HN 0.777 nan 8.190 nan 0.000 0.441 641 Q N -0.824 119.006 119.800 0.049 0.000 2.319 641 Q HA 0.358 4.699 4.340 0.001 0.000 0.202 641 Q C 1.054 177.295 176.000 0.402 0.000 0.896 641 Q CA 0.468 56.370 55.803 0.166 0.000 0.942 641 Q CB 0.208 29.041 28.738 0.159 0.000 1.083 641 Q HN 0.735 nan 8.270 nan 0.000 0.510 642 Y N -1.606 118.725 120.300 0.051 0.000 2.430 642 Y HA 0.383 4.933 4.550 0.001 0.000 0.248 642 Y C 1.783 177.774 175.900 0.151 0.000 1.108 642 Y CA -0.183 57.984 58.100 0.111 0.000 1.264 642 Y CB 0.591 39.097 38.460 0.077 0.000 1.172 642 Y HN 0.089 nan 8.280 nan 0.000 0.520 643 G N -0.565 108.362 108.800 0.211 0.000 3.284 643 G HA2 0.429 4.390 3.960 0.001 0.000 0.236 643 G HA3 0.429 4.390 3.960 0.001 0.000 0.236 643 G C 0.938 175.776 174.900 -0.104 0.000 1.158 643 G CA 0.413 45.577 45.100 0.106 0.000 0.774 643 G HN 0.553 nan 8.290 nan 0.000 0.545 644 G N 0.175 108.838 108.800 -0.228 0.000 2.542 644 G HA2 -0.299 3.662 3.960 0.001 0.000 0.235 644 G HA3 -0.299 3.662 3.960 0.001 0.000 0.235 644 G C 0.772 175.484 174.900 -0.313 0.000 1.286 644 G CA 0.395 45.120 45.100 -0.625 0.000 0.904 644 G HN 0.253 nan 8.290 nan 0.000 0.577 645 Q N -0.562 119.040 119.800 -0.329 0.000 2.061 645 Q HA -0.026 4.315 4.340 0.001 0.000 0.204 645 Q C 3.034 178.955 176.000 -0.132 0.000 0.984 645 Q CA 2.902 58.592 55.803 -0.188 0.000 0.846 645 Q CB -1.126 27.510 28.738 -0.170 0.000 0.902 645 Q HN 0.757 nan 8.270 nan 0.000 0.421 646 T N 1.513 115.988 114.554 -0.133 0.000 2.597 646 T HA -0.157 4.193 4.350 0.001 0.000 0.267 646 T C -1.092 173.569 174.700 -0.065 0.000 1.053 646 T CA 2.074 64.122 62.100 -0.086 0.000 1.165 646 T CB -1.272 67.550 68.868 -0.078 0.000 0.863 646 T HN 0.338 nan 8.240 nan 0.000 0.427 647 P HA 0.050 nan 4.420 nan 0.000 0.216 647 P C 1.719 178.996 177.300 -0.039 0.000 1.153 647 P CA 0.593 63.669 63.100 -0.040 0.000 0.844 647 P CB -0.236 31.449 31.700 -0.024 0.000 0.787 648 L N 0.110 121.304 121.223 -0.048 0.000 2.043 648 L HA -0.157 4.183 4.340 0.001 0.000 0.212 648 L C 2.257 179.102 176.870 -0.041 0.000 1.075 648 L CA 2.010 56.825 54.840 -0.041 0.000 0.752 648 L CB -0.909 41.117 42.059 -0.054 0.000 0.891 648 L HN -0.166 nan 8.230 nan 0.000 0.432 649 K N -1.042 119.329 120.400 -0.048 0.000 2.362 649 K HA -0.076 4.244 4.320 0.001 0.000 0.200 649 K C 1.829 178.410 176.600 -0.032 0.000 1.046 649 K CA 0.832 57.094 56.287 -0.041 0.000 0.952 649 K CB -0.062 32.411 32.500 -0.045 0.000 0.753 649 K HN 0.366 nan 8.250 nan 0.000 0.466 650 L N -0.412 120.793 121.223 -0.031 0.000 2.375 650 L HA 0.054 4.394 4.340 0.001 0.000 0.215 650 L C 2.344 179.200 176.870 -0.023 0.000 1.108 650 L CA 0.122 54.947 54.840 -0.025 0.000 0.830 650 L CB -0.379 41.665 42.059 -0.025 0.000 0.959 650 L HN 0.110 nan 8.230 nan 0.000 0.457 651 A N 0.924 123.729 122.820 -0.025 0.000 1.929 651 A HA -0.306 4.014 4.320 0.001 0.000 0.221 651 A C 2.405 179.977 177.584 -0.020 0.000 1.211 651 A CA 2.134 54.157 52.037 -0.023 0.000 0.657 651 A CB -0.548 18.439 19.000 -0.022 0.000 0.827 651 A HN 0.358 nan 8.150 nan 0.000 0.462 652 R N -1.258 119.231 120.500 -0.018 0.000 2.090 652 R HA 0.014 4.354 4.340 0.001 0.000 0.228 652 R C 2.498 178.789 176.300 -0.014 0.000 1.110 652 R CA 1.069 57.160 56.100 -0.015 0.000 0.973 652 R CB -0.353 29.939 30.300 -0.015 0.000 0.869 652 R HN 0.550 nan 8.270 nan 0.000 0.440 653 A N 0.928 123.739 122.820 -0.014 0.000 1.929 653 A HA -0.063 4.257 4.320 0.001 0.000 0.216 653 A C 2.097 179.674 177.584 -0.012 0.000 1.176 653 A CA 0.818 52.848 52.037 -0.012 0.000 0.628 653 A CB -0.343 18.651 19.000 -0.011 0.000 0.816 653 A HN 0.139 nan 8.150 nan 0.000 0.444 654 L N -0.626 120.588 121.223 -0.016 0.000 1.976 654 L HA -0.248 4.093 4.340 0.001 0.000 0.209 654 L C 2.669 179.529 176.870 -0.017 0.000 1.071 654 L CA 2.084 56.914 54.840 -0.017 0.000 0.746 654 L CB -0.637 41.408 42.059 -0.024 0.000 0.890 654 L HN 0.649 nan 8.230 nan 0.000 0.432 655 E N 0.481 120.671 120.200 -0.017 0.000 2.065 655 E HA -0.313 4.038 4.350 0.001 0.000 0.201 655 E C 2.120 178.713 176.600 -0.012 0.000 1.016 655 E CA 1.739 58.130 56.400 -0.015 0.000 0.818 655 E CB -0.151 29.541 29.700 -0.014 0.000 0.749 655 E HN 0.429 nan 8.360 nan 0.000 0.453 656 A N 0.773 123.586 122.820 -0.010 0.000 1.978 656 A HA -0.068 4.253 4.320 0.001 0.000 0.220 656 A C 2.294 179.874 177.584 -0.007 0.000 1.170 656 A CA 1.795 53.827 52.037 -0.008 0.000 0.636 656 A CB -0.710 18.285 19.000 -0.008 0.000 0.810 656 A HN 0.452 nan 8.150 nan 0.000 0.448 657 A N -2.039 120.776 122.820 -0.007 0.000 2.278 657 A HA 0.436 4.756 4.320 0.001 0.000 0.212 657 A C 1.576 179.157 177.584 -0.006 0.000 1.213 657 A CA 1.121 53.156 52.037 -0.005 0.000 0.840 657 A CB -0.831 18.168 19.000 -0.002 0.000 0.866 657 A HN 1.857 nan 8.150 nan 0.000 0.489 658 G N -1.870 106.925 108.800 -0.009 0.000 2.168 658 G HA2 -0.150 3.811 3.960 0.001 0.000 0.197 658 G HA3 -0.150 3.811 3.960 0.001 0.000 0.197 658 G C 0.039 174.930 174.900 -0.015 0.000 0.997 658 G CA -0.064 45.029 45.100 -0.010 0.000 0.658 658 G HN 0.691 nan 8.290 nan 0.000 0.513 659 V N 2.137 122.040 119.914 -0.018 0.000 2.546 659 V HA 0.466 4.587 4.120 0.001 0.000 0.284 659 V C -1.281 174.798 176.094 -0.025 0.000 1.050 659 V CA -1.190 61.096 62.300 -0.025 0.000 0.981 659 V CB 1.500 33.305 31.823 -0.030 0.000 0.990 659 V HN 0.182 nan 8.190 nan 0.000 0.474 660 P HA 0.135 nan 4.420 nan 0.000 0.230 660 P C -0.202 177.074 177.300 -0.039 0.000 1.791 660 P CA -0.043 63.040 63.100 -0.029 0.000 1.020 660 P CB 0.008 31.692 31.700 -0.027 0.000 1.977 661 V N 4.230 124.122 119.914 -0.037 0.000 2.673 661 V HA 0.016 4.137 4.120 0.001 0.000 0.303 661 V C 1.219 177.284 176.094 -0.049 0.000 1.046 661 V CA 0.232 62.504 62.300 -0.045 0.000 1.126 661 V CB 0.044 31.845 31.823 -0.036 0.000 0.934 661 V HN 0.330 nan 8.190 nan 0.000 0.487 662 I N 1.734 122.264 120.570 -0.068 0.000 2.910 662 I HA 1.030 5.201 4.170 0.001 0.000 0.310 662 I C 0.573 176.648 176.117 -0.070 0.000 1.043 662 I CA -0.246 61.013 61.300 -0.069 0.000 1.053 662 I CB 1.808 39.755 38.000 -0.090 0.000 1.242 662 I HN 0.905 nan 8.210 nan 0.000 0.452 663 G N 2.311 111.079 108.800 -0.053 0.000 2.642 663 G HA2 -0.190 3.771 3.960 0.001 0.000 0.231 663 G HA3 -0.190 3.771 3.960 0.001 0.000 0.231 663 G C -0.123 174.766 174.900 -0.018 0.000 1.338 663 G CA -0.310 44.767 45.100 -0.038 0.000 0.883 663 G HN 1.014 nan 8.290 nan 0.000 0.570 664 T N 0.892 115.444 114.554 -0.004 0.000 2.777 664 T HA 0.344 4.695 4.350 0.001 0.000 0.273 664 T C 1.268 175.967 174.700 -0.002 0.000 1.016 664 T CA 1.133 63.235 62.100 0.004 0.000 1.156 664 T CB 0.247 69.124 68.868 0.014 0.000 1.019 664 T HN 1.874 nan 8.240 nan 0.000 0.503 665 S N 4.478 120.179 115.700 0.002 0.000 2.603 665 S HA 0.227 4.698 4.470 0.001 0.000 0.268 665 S C -1.438 173.160 174.600 -0.003 0.000 1.317 665 S CA -1.472 56.727 58.200 -0.002 0.000 1.012 665 S CB 0.928 64.130 63.200 0.003 0.000 0.926 665 S HN 0.317 nan 8.310 nan 0.000 0.539 666 P HA -0.110 nan 4.420 nan 0.000 0.216 666 P C 0.921 178.217 177.300 -0.007 0.000 1.153 666 P CA 1.670 64.764 63.100 -0.010 0.000 0.858 666 P CB -0.130 31.562 31.700 -0.012 0.000 0.789 667 D N -0.823 119.575 120.400 -0.003 0.000 2.144 667 D HA -0.111 4.530 4.640 0.001 0.000 0.200 667 D C 1.909 178.212 176.300 0.005 0.000 0.978 667 D CA 1.166 55.166 54.000 0.000 0.000 0.833 667 D CB -0.453 40.348 40.800 0.003 0.000 0.961 667 D HN -0.032 nan 8.370 nan 0.000 0.470 668 A N 0.272 123.098 122.820 0.009 0.000 1.877 668 A HA -0.113 4.208 4.320 0.001 0.000 0.216 668 A C 2.310 179.901 177.584 0.011 0.000 1.186 668 A CA 1.123 53.170 52.037 0.017 0.000 0.620 668 A CB -0.860 18.152 19.000 0.019 0.000 0.822 668 A HN 0.381 nan 8.150 nan 0.000 0.443 669 I N -0.402 120.168 120.570 0.001 0.000 2.264 669 I HA -0.272 3.898 4.170 0.001 0.000 0.248 669 I C 2.146 178.252 176.117 -0.018 0.000 1.111 669 I CA 1.949 63.242 61.300 -0.010 0.000 1.382 669 I CB -0.324 37.669 38.000 -0.011 0.000 1.060 669 I HN 0.391 nan 8.210 nan 0.000 0.418 670 D N 0.244 120.637 120.400 -0.011 0.000 2.183 670 D HA -0.125 4.516 4.640 0.001 0.000 0.203 670 D C 2.390 178.688 176.300 -0.004 0.000 0.969 670 D CA 0.726 54.718 54.000 -0.013 0.000 0.842 670 D CB 0.135 40.929 40.800 -0.011 0.000 0.957 670 D HN 0.038 nan 8.370 nan 0.000 0.484 671 R N 0.036 120.543 120.500 0.012 0.000 2.080 671 R HA -0.146 4.195 4.340 0.001 0.000 0.236 671 R C 2.173 178.515 176.300 0.070 0.000 1.137 671 R CA 1.373 57.498 56.100 0.041 0.000 0.943 671 R CB -0.429 29.905 30.300 0.057 0.000 0.846 671 R HN 0.207 nan 8.270 nan 0.000 0.431 672 A N 1.302 124.140 122.820 0.029 0.000 1.877 672 A HA -0.160 4.161 4.320 0.001 0.000 0.216 672 A C 1.943 179.417 177.584 -0.183 0.000 1.186 672 A CA 1.348 53.347 52.037 -0.063 0.000 0.620 672 A CB -0.315 18.626 19.000 -0.099 0.000 0.822 672 A HN 0.328 nan 8.150 nan 0.000 0.443 673 E N 0.388 120.521 120.200 -0.112 0.000 2.106 673 E HA -0.121 4.229 4.350 0.001 0.000 0.192 673 E C 0.245 176.806 176.600 -0.065 0.000 0.984 673 E CA 0.534 56.868 56.400 -0.109 0.000 0.806 673 E CB -0.371 29.281 29.700 -0.079 0.000 0.750 673 E HN 0.632 nan 8.360 nan 0.000 0.458 674 D N 1.349 121.736 120.400 -0.022 0.000 2.371 674 D HA -0.044 4.597 4.640 0.001 0.000 0.256 674 D C 1.260 177.598 176.300 0.064 0.000 1.193 674 D CA -0.168 53.837 54.000 0.007 0.000 0.881 674 D CB 0.778 41.577 40.800 -0.003 0.000 1.143 674 D HN -0.049 nan 8.370 nan 0.000 0.473 675 R N 4.202 124.742 120.500 0.065 0.000 2.112 675 R HA -0.235 4.106 4.340 0.001 0.000 0.242 675 R C 1.636 178.027 176.300 0.152 0.000 1.137 675 R CA 1.340 57.514 56.100 0.124 0.000 0.944 675 R CB -0.786 29.561 30.300 0.078 0.000 0.857 675 R HN 0.582 nan 8.270 nan 0.000 0.435 676 E N 0.391 120.632 120.200 0.069 0.000 2.047 676 E HA -0.056 4.295 4.350 0.001 0.000 0.191 676 E C 2.376 178.912 176.600 -0.106 0.000 0.987 676 E CA 0.645 57.052 56.400 0.011 0.000 0.799 676 E CB 0.076 29.729 29.700 -0.080 0.000 0.752 676 E HN 0.266 nan 8.360 nan 0.000 0.449 677 R N -0.110 120.329 120.500 -0.101 0.000 2.083 677 R HA -0.178 4.163 4.340 0.001 0.000 0.237 677 R C 2.337 178.701 176.300 0.107 0.000 1.137 677 R CA 1.277 57.327 56.100 -0.084 0.000 0.951 677 R CB -0.611 29.676 30.300 -0.021 0.000 0.851 677 R HN 0.221 nan 8.270 nan 0.000 0.434 678 F N 2.150 122.104 119.950 0.007 0.000 2.051 678 F HA -0.257 4.271 4.527 0.001 0.000 0.296 678 F C 2.704 178.558 175.800 0.091 0.000 1.122 678 F CA 1.853 59.876 58.000 0.039 0.000 1.201 678 F CB -0.770 38.240 39.000 0.017 0.000 0.978 678 F HN -0.005 nan 8.300 nan 0.000 0.472 679 Q N -0.772 119.066 119.800 0.064 0.000 2.118 679 Q HA -0.342 3.999 4.340 0.001 0.000 0.211 679 Q C 2.168 178.150 176.000 -0.029 0.000 0.998 679 Q CA 2.449 58.232 55.803 -0.033 0.000 0.872 679 Q CB -0.366 28.448 28.738 0.126 0.000 0.925 679 Q HN 0.585 nan 8.270 nan 0.000 0.414 680 H N -0.702 118.318 119.070 -0.083 0.000 2.352 680 H HA -0.107 4.450 4.556 0.001 0.000 0.299 680 H C 1.818 177.096 175.328 -0.083 0.000 1.097 680 H CA 1.647 57.659 56.048 -0.060 0.000 1.311 680 H CB -0.481 29.272 29.762 -0.014 0.000 1.377 680 H HN 0.460 nan 8.280 nan 0.000 0.504 681 A N 0.200 123.044 122.820 0.040 0.000 1.855 681 A HA -0.127 4.194 4.320 0.001 0.000 0.215 681 A C 2.690 180.205 177.584 -0.116 0.000 1.191 681 A CA 1.649 53.676 52.037 -0.016 0.000 0.613 681 A CB -0.944 18.073 19.000 0.028 0.000 0.829 681 A HN 0.231 nan 8.150 nan 0.000 0.442 682 V N 0.160 119.895 119.914 -0.300 0.000 2.278 682 V HA -0.374 3.746 4.120 0.001 0.000 0.251 682 V C 2.429 178.420 176.094 -0.171 0.000 1.062 682 V CA 2.618 64.729 62.300 -0.316 0.000 1.038 682 V CB -0.997 30.515 31.823 -0.519 0.000 0.646 682 V HN 0.668 nan 8.190 nan 0.000 0.447 683 E N -0.250 119.854 120.200 -0.159 0.000 2.013 683 E HA -0.312 4.039 4.350 0.001 0.000 0.202 683 E C 2.434 178.985 176.600 -0.081 0.000 1.018 683 E CA 1.972 58.301 56.400 -0.118 0.000 0.834 683 E CB -0.347 29.267 29.700 -0.143 0.000 0.770 683 E HN 0.458 nan 8.360 nan 0.000 0.459 684 R N 0.589 121.051 120.500 -0.063 0.000 2.174 684 R HA -0.205 4.136 4.340 0.001 0.000 0.253 684 R C 1.944 178.229 176.300 -0.024 0.000 1.165 684 R CA 1.445 57.525 56.100 -0.033 0.000 0.984 684 R CB -0.230 30.065 30.300 -0.009 0.000 0.873 684 R HN 0.231 nan 8.270 nan 0.000 0.456 685 L N 0.156 121.361 121.223 -0.029 0.000 2.509 685 L HA 0.124 4.465 4.340 0.001 0.000 0.222 685 L C 0.102 176.959 176.870 -0.022 0.000 1.123 685 L CA 0.174 55.007 54.840 -0.012 0.000 0.856 685 L CB -0.035 42.025 42.059 0.002 0.000 0.985 685 L HN 0.112 nan 8.230 nan 0.000 0.456 686 K N 1.313 121.688 120.400 -0.041 0.000 3.939 686 K HA -0.127 4.194 4.320 0.001 0.000 0.281 686 K C -0.812 175.761 176.600 -0.046 0.000 0.981 686 K CA 0.409 56.668 56.287 -0.046 0.000 0.833 686 K CB -1.413 31.064 32.500 -0.038 0.000 1.501 686 K HN 0.214 nan 8.250 nan 0.000 0.445 687 L N 0.368 121.557 121.223 -0.057 0.000 2.303 687 L HA 0.449 4.789 4.340 0.001 0.000 0.266 687 L C 0.515 177.345 176.870 -0.067 0.000 1.011 687 L CA -1.206 53.605 54.840 -0.049 0.000 0.818 687 L CB 1.585 43.628 42.059 -0.027 0.000 1.326 687 L HN 0.091 nan 8.230 nan 0.000 0.435 688 K N 2.304 122.661 120.400 -0.072 0.000 2.312 688 K HA 0.288 4.609 4.320 0.001 0.000 0.287 688 K C -0.852 175.759 176.600 0.018 0.000 1.062 688 K CA -0.075 56.155 56.287 -0.095 0.000 0.934 688 K CB 1.184 33.498 32.500 -0.309 0.000 1.027 688 K HN 0.494 nan 8.250 nan 0.000 0.478 689 Q N 3.752 123.591 119.800 0.065 0.000 2.271 689 Q HA 0.281 4.622 4.340 0.001 0.000 0.268 689 Q C -2.436 173.659 176.000 0.159 0.000 1.021 689 Q CA -2.002 53.868 55.803 0.111 0.000 0.802 689 Q CB 2.240 30.981 28.738 0.005 0.000 1.282 689 Q HN 0.383 nan 8.270 nan 0.000 0.431 690 P HA -0.087 nan 4.420 nan 0.000 0.264 690 P C -0.882 176.479 177.300 0.102 0.000 1.173 690 P CA 0.210 63.395 63.100 0.143 0.000 0.761 690 P CB 0.342 32.088 31.700 0.076 0.000 0.794 691 A N 3.576 126.450 122.820 0.090 0.000 2.548 691 A HA 0.237 4.558 4.320 0.001 0.000 0.247 691 A C 0.666 178.278 177.584 0.047 0.000 1.067 691 A CA 0.111 52.175 52.037 0.044 0.000 0.757 691 A CB -0.974 18.024 19.000 -0.004 0.000 0.996 691 A HN 0.775 nan 8.150 nan 0.000 0.504 692 N N 0.521 119.241 118.700 0.033 0.000 2.761 692 N HA 0.860 5.601 4.740 0.001 0.000 0.283 692 N C -0.797 174.727 175.510 0.023 0.000 1.377 692 N CA -0.297 52.772 53.050 0.033 0.000 0.791 692 N CB 1.855 40.370 38.487 0.047 0.000 1.540 692 N HN 0.893 nan 8.380 nan 0.000 0.539 693 A N -0.903 121.933 122.820 0.027 0.000 2.604 693 A HA 0.667 4.987 4.320 0.001 0.000 0.295 693 A C -1.500 176.108 177.584 0.041 0.000 1.067 693 A CA -0.752 51.302 52.037 0.029 0.000 0.683 693 A CB 1.386 20.398 19.000 0.020 0.000 1.281 693 A HN 0.602 nan 8.150 nan 0.000 0.407 694 T N 1.830 116.411 114.554 0.044 0.000 3.250 694 T HA 0.448 4.799 4.350 0.001 0.000 0.391 694 T C -0.051 174.682 174.700 0.054 0.000 1.502 694 T CA -0.186 61.945 62.100 0.052 0.000 1.320 694 T CB 0.128 69.026 68.868 0.050 0.000 1.102 694 T HN 0.540 nan 8.240 nan 0.000 0.610 695 V N 2.511 122.467 119.914 0.070 0.000 3.133 695 V HA 0.274 4.395 4.120 0.001 0.000 0.305 695 V C 1.392 177.529 176.094 0.071 0.000 1.084 695 V CA 0.079 62.421 62.300 0.069 0.000 1.089 695 V CB 1.460 33.339 31.823 0.093 0.000 1.073 695 V HN 0.867 nan 8.190 nan 0.000 0.477 696 T N 0.008 114.589 114.554 0.044 0.000 3.098 696 T HA 0.450 4.800 4.350 0.001 0.000 0.246 696 T C 0.360 175.070 174.700 0.017 0.000 0.983 696 T CA 0.606 62.728 62.100 0.037 0.000 1.094 696 T CB 0.389 69.268 68.868 0.019 0.000 1.035 696 T HN 0.808 nan 8.240 nan 0.000 0.456 697 A N 0.344 123.143 122.820 -0.034 0.000 2.313 697 A HA 0.729 5.050 4.320 0.001 0.000 0.323 697 A C 0.842 178.273 177.584 -0.256 0.000 1.133 697 A CA -0.638 51.336 52.037 -0.105 0.000 0.847 697 A CB 0.471 19.422 19.000 -0.081 0.000 1.308 697 A HN 0.094 nan 8.150 nan 0.000 0.475 698 I N 0.506 120.852 120.570 -0.374 0.000 2.091 698 I HA -0.230 3.941 4.170 0.001 0.000 0.239 698 I C 2.194 178.071 176.117 -0.399 0.000 1.061 698 I CA 1.828 62.753 61.300 -0.624 0.000 1.317 698 I CB -0.474 37.290 38.000 -0.393 0.000 1.031 698 I HN 0.688 nan 8.210 nan 0.000 0.401 699 E N -0.269 119.808 120.200 -0.206 0.000 2.204 699 E HA -0.203 4.148 4.350 0.001 0.000 0.194 699 E C 2.193 178.749 176.600 -0.073 0.000 0.989 699 E CA 0.911 57.246 56.400 -0.108 0.000 0.824 699 E CB -0.449 29.210 29.700 -0.070 0.000 0.756 699 E HN 0.545 nan 8.360 nan 0.000 0.477 700 M N 0.606 120.156 119.600 -0.083 0.000 2.067 700 M HA -0.158 4.323 4.480 0.001 0.000 0.260 700 M C 2.266 178.554 176.300 -0.020 0.000 1.069 700 M CA 1.833 57.107 55.300 -0.042 0.000 1.117 700 M CB -0.098 32.479 32.600 -0.039 0.000 1.334 700 M HN 0.110 nan 8.290 nan 0.000 0.407 701 A N -0.297 122.501 122.820 -0.037 0.000 1.883 701 A HA -0.150 4.170 4.320 0.001 0.000 0.217 701 A C 1.983 179.604 177.584 0.062 0.000 1.186 701 A CA 2.066 54.128 52.037 0.041 0.000 0.624 701 A CB -1.322 17.755 19.000 0.128 0.000 0.822 701 A HN 0.451 nan 8.150 nan 0.000 0.444 702 V N 0.164 120.105 119.914 0.044 0.000 2.380 702 V HA -0.297 3.824 4.120 0.001 0.000 0.251 702 V C 2.509 178.659 176.094 0.093 0.000 1.063 702 V CA 2.567 64.928 62.300 0.102 0.000 1.055 702 V CB -0.992 30.876 31.823 0.075 0.000 0.657 702 V HN 0.732 nan 8.190 nan 0.000 0.455 703 E N 1.009 121.236 120.200 0.046 0.000 2.028 703 E HA -0.196 4.155 4.350 0.001 0.000 0.190 703 E C 2.112 178.734 176.600 0.036 0.000 0.984 703 E CA 1.399 57.823 56.400 0.040 0.000 0.800 703 E CB -0.334 29.378 29.700 0.019 0.000 0.758 703 E HN 0.384 nan 8.360 nan 0.000 0.448 704 K N 0.263 120.677 120.400 0.024 0.000 2.103 704 K HA -0.041 4.280 4.320 0.001 0.000 0.207 704 K C 1.836 178.428 176.600 -0.013 0.000 1.048 704 K CA 1.348 57.641 56.287 0.010 0.000 0.930 704 K CB -0.698 31.810 32.500 0.014 0.000 0.716 704 K HN 0.245 nan 8.250 nan 0.000 0.444 705 A N 0.596 123.407 122.820 -0.016 0.000 1.865 705 A HA -0.243 4.077 4.320 0.001 0.000 0.217 705 A C 2.005 179.531 177.584 -0.096 0.000 1.191 705 A CA 2.131 54.086 52.037 -0.137 0.000 0.623 705 A CB -0.558 18.398 19.000 -0.073 0.000 0.826 705 A HN 0.286 nan 8.150 nan 0.000 0.444 706 K N -0.316 120.123 120.400 0.065 0.000 2.089 706 K HA -0.223 4.097 4.320 0.001 0.000 0.210 706 K C 2.058 178.683 176.600 0.041 0.000 1.048 706 K CA 2.026 58.381 56.287 0.113 0.000 0.926 706 K CB -0.188 32.373 32.500 0.101 0.000 0.714 706 K HN 0.693 nan 8.250 nan 0.000 0.448 707 E N 0.043 120.248 120.200 0.008 0.000 2.007 707 E HA -0.181 4.170 4.350 0.001 0.000 0.194 707 E C 2.009 178.585 176.600 -0.039 0.000 0.999 707 E CA 1.496 57.890 56.400 -0.011 0.000 0.811 707 E CB -0.070 29.623 29.700 -0.011 0.000 0.762 707 E HN 0.230 nan 8.360 nan 0.000 0.450 708 I N 0.006 120.539 120.570 -0.060 0.000 2.179 708 I HA -0.118 4.053 4.170 0.001 0.000 0.242 708 I C 1.079 177.121 176.117 -0.125 0.000 1.088 708 I CA 0.939 62.190 61.300 -0.082 0.000 1.357 708 I CB -0.327 37.634 38.000 -0.066 0.000 1.051 708 I HN 0.277 nan 8.210 nan 0.000 0.409 709 G N -0.323 108.406 108.800 -0.119 0.000 2.907 709 G HA2 -0.182 3.779 3.960 0.001 0.000 0.686 709 G HA3 -0.182 3.779 3.960 0.001 0.000 0.686 709 G C -0.831 174.114 174.900 0.074 0.000 1.115 709 G CA -0.980 44.100 45.100 -0.034 0.000 0.760 709 G HN 0.066 nan 8.290 nan 0.000 0.620 710 Y N 2.069 122.477 120.300 0.180 0.000 2.301 710 Y HA 0.535 5.086 4.550 0.001 0.000 0.328 710 Y C -0.993 175.034 175.900 0.211 0.000 1.242 710 Y CA -1.291 56.898 58.100 0.149 0.000 1.323 710 Y CB 0.670 39.192 38.460 0.103 0.000 1.266 710 Y HN 0.522 nan 8.280 nan 0.000 0.527 711 P HA 0.297 nan 4.420 nan 0.000 0.278 711 P C -1.259 175.970 177.300 -0.118 0.000 1.258 711 P CA -0.393 62.710 63.100 0.005 0.000 0.811 711 P CB 1.072 32.523 31.700 -0.414 0.000 1.063 712 L N 0.559 121.664 121.223 -0.196 0.000 2.333 712 L HA 0.432 4.772 4.340 0.001 0.000 0.269 712 L C -0.519 176.210 176.870 -0.234 0.000 1.010 712 L CA -0.749 53.967 54.840 -0.206 0.000 0.818 712 L CB 2.173 44.078 42.059 -0.256 0.000 1.306 712 L HN 0.040 nan 8.230 nan 0.000 0.430 713 V N 3.303 123.123 119.914 -0.157 0.000 2.311 713 V HA 0.315 4.435 4.120 0.001 0.000 0.275 713 V C -0.538 175.456 176.094 -0.166 0.000 1.022 713 V CA -0.647 61.558 62.300 -0.158 0.000 0.830 713 V CB 1.550 33.348 31.823 -0.042 0.000 1.012 713 V HN 0.419 nan 8.190 nan 0.000 0.452 714 V N 6.193 125.948 119.914 -0.266 0.000 2.247 714 V HA 0.396 4.517 4.120 0.001 0.000 0.262 714 V C 0.525 176.506 176.094 -0.189 0.000 1.096 714 V CA -0.670 61.465 62.300 -0.274 0.000 0.895 714 V CB -0.020 31.483 31.823 -0.533 0.000 1.141 714 V HN 0.740 nan 8.190 nan 0.000 0.478 715 R N 4.527 124.977 120.500 -0.083 0.000 2.265 715 R HA 0.530 4.871 4.340 0.001 0.000 0.314 715 R C -1.997 174.306 176.300 0.004 0.000 1.053 715 R CA -0.710 55.371 56.100 -0.032 0.000 0.931 715 R CB 1.280 31.573 30.300 -0.012 0.000 1.024 715 R HN 0.553 nan 8.270 nan 0.000 0.457 725 M N 2.028 121.623 119.600 -0.009 0.000 2.321 725 M HA 0.496 4.977 4.480 0.001 0.000 0.315 725 M C -0.316 175.927 176.300 -0.096 0.000 1.052 725 M CA -0.206 55.064 55.300 -0.050 0.000 0.936 725 M CB 2.047 34.628 32.600 -0.033 0.000 1.639 725 M HN 0.961 nan 8.290 nan 0.000 0.433 726 E N 2.891 122.959 120.200 -0.220 0.000 2.378 726 E HA 0.690 5.041 4.350 0.001 0.000 0.265 726 E C -1.620 174.775 176.600 -0.342 0.000 0.932 726 E CA -0.665 55.572 56.400 -0.272 0.000 0.795 726 E CB 2.274 31.792 29.700 -0.304 0.000 1.296 726 E HN 0.659 nan 8.360 nan 0.000 0.438 727 I N 2.920 123.293 120.570 -0.327 0.000 2.439 727 I HA 0.278 4.449 4.170 0.001 0.000 0.283 727 I C -0.966 174.926 176.117 -0.375 0.000 1.023 727 I CA -0.940 60.090 61.300 -0.451 0.000 1.100 727 I CB 1.635 39.234 38.000 -0.669 0.000 1.238 727 I HN 0.268 nan 8.210 nan 0.000 0.445 728 V N 6.153 125.858 119.914 -0.349 0.000 2.539 728 V HA 0.251 4.372 4.120 0.001 0.000 0.292 728 V C -0.106 175.916 176.094 -0.120 0.000 1.045 728 V CA -0.162 62.067 62.300 -0.119 0.000 0.945 728 V CB 1.514 33.321 31.823 -0.027 0.000 0.993 728 V HN 0.594 nan 8.190 nan 0.000 0.464 729 Y N 0.703 121.077 120.300 0.123 0.000 2.581 729 Y HA 0.218 4.769 4.550 0.001 0.000 0.271 729 Y C 0.769 176.668 175.900 -0.001 0.000 1.100 729 Y CA -0.172 58.007 58.100 0.132 0.000 1.281 729 Y CB 0.569 39.049 38.460 0.034 0.000 1.237 729 Y HN 0.856 nan 8.280 nan 0.000 0.514 730 D N -1.370 119.009 120.400 -0.035 0.000 2.559 730 D HA 0.117 4.758 4.640 0.001 0.000 0.250 730 D C 0.650 176.706 176.300 -0.406 0.000 1.135 730 D CA -0.652 53.055 54.000 -0.489 0.000 0.955 730 D CB 0.795 41.434 40.800 -0.269 0.000 1.442 730 D HN 0.039 nan 8.370 nan 0.000 0.471 731 E N 0.277 120.194 120.200 -0.472 0.000 2.033 731 E HA -0.280 4.071 4.350 0.001 0.000 0.199 731 E C 1.957 178.579 176.600 0.037 0.000 1.011 731 E CA 1.837 58.185 56.400 -0.087 0.000 0.815 731 E CB -0.373 29.297 29.700 -0.050 0.000 0.755 731 E HN 0.523 nan 8.360 nan 0.000 0.451 732 A N 1.105 123.918 122.820 -0.012 0.000 1.881 732 A HA -0.336 3.984 4.320 0.001 0.000 0.219 732 A C 1.974 179.602 177.584 0.074 0.000 1.215 732 A CA 2.459 54.513 52.037 0.027 0.000 0.648 732 A CB -1.228 17.771 19.000 -0.001 0.000 0.832 732 A HN 0.448 nan 8.150 nan 0.000 0.455 733 D N -1.102 119.338 120.400 0.066 0.000 2.133 733 D HA -0.152 4.488 4.640 0.001 0.000 0.195 733 D C 1.779 178.194 176.300 0.191 0.000 0.997 733 D CA 1.307 55.377 54.000 0.118 0.000 0.840 733 D CB -0.198 40.677 40.800 0.124 0.000 0.947 733 D HN 0.288 nan 8.370 nan 0.000 0.452 734 L N 1.305 122.675 121.223 0.245 0.000 1.971 734 L HA -0.238 4.103 4.340 0.001 0.000 0.215 734 L C 2.079 179.228 176.870 0.464 0.000 1.072 734 L CA 1.830 56.888 54.840 0.362 0.000 0.758 734 L CB -0.652 41.673 42.059 0.445 0.000 0.889 734 L HN 0.051 nan 8.230 nan 0.000 0.433 735 R N -0.816 119.902 120.500 0.362 0.000 2.122 735 R HA -0.251 4.089 4.340 0.001 0.000 0.236 735 R C 2.314 178.788 176.300 0.290 0.000 1.129 735 R CA 1.719 58.015 56.100 0.326 0.000 0.925 735 R CB -1.125 29.276 30.300 0.168 0.000 0.850 735 R HN 0.376 nan 8.270 nan 0.000 0.431 736 R N 0.279 120.895 120.500 0.193 0.000 2.159 736 R HA -0.276 4.065 4.340 0.001 0.000 0.252 736 R C 2.272 178.646 176.300 0.124 0.000 1.144 736 R CA 2.377 58.557 56.100 0.133 0.000 0.961 736 R CB -0.558 29.812 30.300 0.118 0.000 0.877 736 R HN 0.426 nan 8.270 nan 0.000 0.444 737 Y N -0.222 120.092 120.300 0.025 0.000 2.133 737 Y HA -0.230 4.321 4.550 0.002 0.000 0.287 737 Y C 2.041 177.882 175.900 -0.098 0.000 1.134 737 Y CA 1.841 59.892 58.100 -0.081 0.000 1.133 737 Y CB -0.627 37.718 38.460 -0.192 0.000 0.987 737 Y HN -0.040 nan 8.280 nan 0.000 0.502 738 F N 1.353 121.314 119.950 0.019 0.000 2.115 738 F HA -0.360 4.167 4.527 0.001 0.000 0.300 738 F C 2.734 178.439 175.800 -0.158 0.000 1.092 738 F CA 2.247 60.194 58.000 -0.089 0.000 1.245 738 F CB -1.005 38.028 39.000 0.056 0.000 0.995 738 F HN 0.273 nan 8.300 nan 0.000 0.481 739 Q N 0.198 120.042 119.800 0.074 0.000 1.975 739 Q HA -0.242 4.099 4.340 0.001 0.000 0.205 739 Q C 2.348 178.306 176.000 -0.070 0.000 0.990 739 Q CA 3.074 58.886 55.803 0.016 0.000 0.845 739 Q CB -0.464 28.288 28.738 0.025 0.000 0.913 739 Q HN 0.488 nan 8.270 nan 0.000 0.420 740 T N -0.474 114.006 114.554 -0.124 0.000 2.684 740 T HA -0.051 4.300 4.350 0.001 0.000 0.267 740 T C 1.150 175.698 174.700 -0.255 0.000 1.036 740 T CA 0.773 62.778 62.100 -0.158 0.000 1.148 740 T CB -1.041 67.746 68.868 -0.135 0.000 0.863 740 T HN 0.545 nan 8.240 nan 0.000 0.436 751 L N 5.552 126.807 121.223 0.052 0.000 2.455 751 L HA 0.319 4.660 4.340 0.001 0.000 0.272 751 L C -0.567 176.315 176.870 0.020 0.000 1.174 751 L CA 0.477 55.339 54.840 0.038 0.000 0.869 751 L CB 0.433 42.510 42.059 0.030 0.000 1.130 751 L HN 0.407 nan 8.230 nan 0.000 0.474 752 L N 3.899 125.135 121.223 0.022 0.000 2.362 752 L HA 0.558 4.898 4.340 0.001 0.000 0.275 752 L C -0.772 176.097 176.870 -0.002 0.000 0.998 752 L CA -0.303 54.535 54.840 -0.004 0.000 0.820 752 L CB 1.756 43.819 42.059 0.007 0.000 1.270 752 L HN 0.523 nan 8.230 nan 0.000 0.415 753 D N -0.952 119.437 120.400 -0.018 0.000 2.602 753 D HA 0.302 4.943 4.640 0.001 0.000 0.236 753 D C -1.216 175.093 176.300 0.015 0.000 1.209 753 D CA -0.524 53.483 54.000 0.013 0.000 0.831 753 D CB 1.336 42.148 40.800 0.022 0.000 1.478 753 D HN 0.452 nan 8.370 nan 0.000 0.438 754 H N 0.731 119.770 119.070 -0.052 0.000 2.767 754 H HA 0.301 4.857 4.556 0.001 0.000 0.316 754 H C -1.085 174.215 175.328 -0.047 0.000 1.059 754 H CA -0.327 55.681 56.048 -0.068 0.000 1.461 754 H CB 0.235 29.948 29.762 -0.082 0.000 1.475 754 H HN 0.245 nan 8.280 nan 0.000 0.531 755 F N 6.490 125.996 119.950 -0.740 0.000 2.444 755 F HA 0.226 4.753 4.527 0.001 0.000 0.360 755 F C -0.728 174.669 175.800 -0.672 0.000 1.106 755 F CA -0.785 56.875 58.000 -0.566 0.000 1.170 755 F CB 0.255 38.994 39.000 -0.435 0.000 1.113 755 F HN 0.539 nan 8.300 nan 0.000 0.521 756 L N 6.438 126.892 121.223 -1.283 0.000 2.448 756 L HA 0.110 4.450 4.340 0.001 0.000 0.278 756 L C 0.222 176.413 176.870 -1.131 0.000 1.201 756 L CA -0.343 53.906 54.840 -0.986 0.000 1.036 756 L CB -0.677 40.958 42.059 -0.707 0.000 1.325 756 L HN 0.582 nan 8.230 nan 0.000 0.441 757 D N 1.844 121.786 120.400 -0.762 0.000 2.390 757 D HA -0.106 4.535 4.640 0.001 0.000 0.236 757 D C 0.766 176.959 176.300 -0.179 0.000 1.189 757 D CA 0.381 54.203 54.000 -0.296 0.000 0.887 757 D CB 0.567 41.388 40.800 0.035 0.000 1.198 757 D HN 0.517 nan 8.370 nan 0.000 0.444 758 D N -0.533 119.854 120.400 -0.021 0.000 2.706 758 D HA -0.211 4.429 4.640 0.001 0.000 0.230 758 D C -1.404 174.863 176.300 -0.054 0.000 1.184 758 D CA 1.142 55.140 54.000 -0.004 0.000 0.628 758 D CB -0.721 40.089 40.800 0.016 0.000 1.019 758 D HN 0.432 nan 8.370 nan 0.000 0.415 759 A N -0.564 122.199 122.820 -0.094 0.000 2.384 759 A HA 0.720 5.041 4.320 0.001 0.000 0.312 759 A C -0.249 177.310 177.584 -0.041 0.000 1.113 759 A CA -0.623 51.359 52.037 -0.093 0.000 0.779 759 A CB 1.881 20.773 19.000 -0.180 0.000 1.307 759 A HN 0.192 nan 8.150 nan 0.000 0.436 760 V N 1.456 121.352 119.914 -0.029 0.000 2.498 760 V HA 0.256 4.377 4.120 0.001 0.000 0.279 760 V C 0.445 176.518 176.094 -0.034 0.000 1.048 760 V CA -0.195 62.099 62.300 -0.010 0.000 0.967 760 V CB 1.063 32.871 31.823 -0.025 0.000 0.988 760 V HN 0.958 nan 8.190 nan 0.000 0.473 761 E N 3.540 123.701 120.200 -0.066 0.000 2.216 761 E HA 0.614 4.964 4.350 0.001 0.000 0.279 761 E C -1.411 174.881 176.600 -0.513 0.000 0.997 761 E CA -0.424 55.810 56.400 -0.277 0.000 0.817 761 E CB 1.660 31.184 29.700 -0.293 0.000 1.096 761 E HN 0.509 nan 8.360 nan 0.000 0.393 762 V N 3.756 123.476 119.914 -0.324 0.000 2.789 762 V HA 0.343 4.463 4.120 0.001 0.000 0.311 762 V C -0.693 175.404 176.094 0.005 0.000 1.073 762 V CA -0.971 61.254 62.300 -0.125 0.000 0.921 762 V CB 2.120 33.990 31.823 0.079 0.000 1.009 762 V HN 0.736 nan 8.190 nan 0.000 0.426 763 D N 1.856 122.325 120.400 0.116 0.000 2.375 763 D HA 0.614 5.255 4.640 0.001 0.000 0.247 763 D C -1.254 175.164 176.300 0.196 0.000 1.061 763 D CA -0.056 54.049 54.000 0.174 0.000 0.834 763 D CB 2.491 43.440 40.800 0.248 0.000 1.247 763 D HN 0.324 nan 8.370 nan 0.000 0.489 764 V N 3.190 123.213 119.914 0.182 0.000 2.443 764 V HA 0.282 4.403 4.120 0.001 0.000 0.293 764 V C -0.330 175.830 176.094 0.111 0.000 1.021 764 V CA -0.937 61.471 62.300 0.180 0.000 0.848 764 V CB 1.989 33.981 31.823 0.281 0.000 0.998 764 V HN 0.374 nan 8.190 nan 0.000 0.424 765 D N 3.663 124.119 120.400 0.094 0.000 2.193 765 D HA 0.827 5.468 4.640 0.001 0.000 0.244 765 D C -0.010 176.318 176.300 0.046 0.000 1.064 765 D CA 0.189 54.225 54.000 0.060 0.000 0.845 765 D CB 2.441 43.272 40.800 0.052 0.000 1.148 765 D HN 0.813 nan 8.370 nan 0.000 0.464 766 A N 2.002 124.840 122.820 0.030 0.000 2.588 766 A HA 0.772 5.093 4.320 0.001 0.000 0.290 766 A C -1.372 176.215 177.584 0.006 0.000 1.136 766 A CA -0.636 51.410 52.037 0.016 0.000 0.681 766 A CB 1.202 20.208 19.000 0.009 0.000 1.282 766 A HN 0.480 nan 8.150 nan 0.000 0.421 767 I N 0.124 120.690 120.570 -0.007 0.000 2.533 767 I HA 0.482 4.653 4.170 0.001 0.000 0.290 767 I C -0.767 175.321 176.117 -0.047 0.000 1.056 767 I CA -0.493 60.803 61.300 -0.007 0.000 1.057 767 I CB 1.870 39.881 38.000 0.019 0.000 1.240 767 I HN 0.669 nan 8.210 nan 0.000 0.423 768 C N 5.046 124.307 119.300 -0.065 0.000 2.408 768 C HA 0.508 4.968 4.460 0.001 0.000 0.321 768 C C 0.364 175.332 174.990 -0.037 0.000 1.245 768 C CA -0.425 58.521 59.018 -0.120 0.000 1.523 768 C CB 0.781 28.374 27.740 -0.246 0.000 2.178 768 C HN 0.931 nan 8.230 nan 0.000 0.488 769 D N 1.828 122.232 120.400 0.006 0.000 2.424 769 D HA 0.283 4.924 4.640 0.001 0.000 0.220 769 D C 1.405 177.759 176.300 0.089 0.000 1.150 769 D CA 0.555 54.582 54.000 0.046 0.000 0.831 769 D CB -0.043 40.787 40.800 0.050 0.000 0.981 769 D HN 1.299 nan 8.370 nan 0.000 0.500 770 G N 0.481 109.358 108.800 0.128 0.000 2.284 770 G HA2 -0.415 3.546 3.960 0.001 0.000 0.261 770 G HA3 -0.415 3.546 3.960 0.001 0.000 0.261 770 G C 1.023 176.126 174.900 0.338 0.000 0.997 770 G CA 0.563 45.806 45.100 0.239 0.000 0.621 770 G HN 0.449 nan 8.290 nan 0.000 0.534 771 E N -0.587 119.774 120.200 0.267 0.000 2.206 771 E HA 0.397 4.747 4.350 0.001 0.000 0.195 771 E C 1.420 178.204 176.600 0.307 0.000 0.935 771 E CA 0.926 57.453 56.400 0.213 0.000 0.875 771 E CB 0.134 29.903 29.700 0.116 0.000 0.841 771 E HN 0.766 nan 8.360 nan 0.000 0.477 772 M N -1.376 118.407 119.600 0.306 0.000 2.716 772 M HA 0.537 5.018 4.480 0.001 0.000 0.278 772 M C -1.580 174.798 176.300 0.129 0.000 1.281 772 M CA -0.934 54.546 55.300 0.299 0.000 0.814 772 M CB 2.478 35.172 32.600 0.156 0.000 1.719 772 M HN -0.333 nan 8.290 nan 0.000 0.457 773 V N 2.291 122.251 119.914 0.076 0.000 2.483 773 V HA 0.521 4.642 4.120 0.001 0.000 0.297 773 V C -1.128 174.961 176.094 -0.007 0.000 1.027 773 V CA -0.633 61.625 62.300 -0.071 0.000 0.855 773 V CB 1.567 33.274 31.823 -0.193 0.000 0.995 773 V HN 0.775 nan 8.190 nan 0.000 0.424 774 L N 6.315 127.530 121.223 -0.014 0.000 2.264 774 L HA 0.577 4.918 4.340 0.001 0.000 0.289 774 L C -0.357 176.515 176.870 0.002 0.000 1.044 774 L CA -0.058 54.784 54.840 0.003 0.000 0.807 774 L CB 0.823 42.887 42.059 0.009 0.000 1.192 774 L HN 0.424 nan 8.230 nan 0.000 0.425 775 I N 5.819 126.395 120.570 0.009 0.000 2.436 775 I HA 0.158 4.328 4.170 0.001 0.000 0.289 775 I C 1.382 177.506 176.117 0.013 0.000 1.083 775 I CA 0.341 61.651 61.300 0.016 0.000 1.372 775 I CB 0.412 38.424 38.000 0.019 0.000 1.408 775 I HN 0.858 nan 8.210 nan 0.000 0.516 776 G N 5.375 114.186 108.800 0.019 0.000 2.408 776 G HA2 0.280 4.241 3.960 0.001 0.000 0.213 776 G HA3 0.280 4.241 3.960 0.001 0.000 0.213 776 G C 0.613 175.522 174.900 0.016 0.000 1.177 776 G CA 0.625 45.733 45.100 0.013 0.000 0.802 776 G HN 0.783 nan 8.290 nan 0.000 0.533 777 G N -0.845 107.980 108.800 0.042 0.000 2.716 777 G HA2 0.450 4.411 3.960 0.001 0.000 0.299 777 G HA3 0.450 4.411 3.960 0.001 0.000 0.299 777 G C -1.494 173.465 174.900 0.099 0.000 1.450 777 G CA -0.791 44.345 45.100 0.059 0.000 0.968 777 G HN 0.134 nan 8.290 nan 0.000 0.566 778 I N 2.225 122.855 120.570 0.100 0.000 2.330 778 I HA 0.345 4.515 4.170 0.001 0.000 0.286 778 I C -0.022 176.197 176.117 0.169 0.000 1.025 778 I CA -0.288 61.085 61.300 0.121 0.000 1.197 778 I CB 1.395 39.440 38.000 0.075 0.000 1.358 778 I HN 0.240 nan 8.210 nan 0.000 0.467 779 M N 5.803 125.531 119.600 0.213 0.000 2.268 779 M HA 0.315 4.796 4.480 0.001 0.000 0.344 779 M C -0.160 176.307 176.300 0.279 0.000 1.106 779 M CA -0.275 55.193 55.300 0.281 0.000 1.010 779 M CB 1.841 34.634 32.600 0.321 0.000 1.649 779 M HN 0.398 nan 8.290 nan 0.000 0.443 780 E N 2.962 123.351 120.200 0.315 0.000 2.146 780 E HA 0.199 4.550 4.350 0.001 0.000 0.282 780 E C -0.982 175.876 176.600 0.430 0.000 0.989 780 E CA -0.381 56.205 56.400 0.310 0.000 0.799 780 E CB 0.781 30.657 29.700 0.294 0.000 1.088 780 E HN 0.648 nan 8.360 nan 0.000 0.397 781 H N 3.733 122.922 119.070 0.199 0.000 2.732 781 H HA 0.006 4.562 4.556 0.001 0.000 0.351 781 H C 0.915 176.389 175.328 0.242 0.000 1.090 781 H CA -0.617 55.541 56.048 0.183 0.000 1.431 781 H CB 1.209 31.051 29.762 0.134 0.000 1.447 781 H HN 0.547 nan 8.280 nan 0.000 0.582 782 I N 1.763 122.538 120.570 0.342 0.000 2.235 782 I HA -0.137 4.034 4.170 0.001 0.000 0.241 782 I C 0.644 176.924 176.117 0.271 0.000 1.085 782 I CA 1.076 62.566 61.300 0.317 0.000 1.378 782 I CB -0.093 38.065 38.000 0.264 0.000 1.076 782 I HN 0.610 nan 8.210 nan 0.000 0.415 783 E N 2.171 122.513 120.200 0.236 0.000 2.373 783 E HA 0.065 4.416 4.350 0.001 0.000 0.267 783 E C 0.107 176.850 176.600 0.239 0.000 1.032 783 E CA -0.280 56.247 56.400 0.210 0.000 0.889 783 E CB 0.182 29.985 29.700 0.171 0.000 0.984 783 E HN 0.181 nan 8.360 nan 0.000 0.425 784 Q N 1.485 121.404 119.800 0.198 0.000 2.443 784 Q HA 0.283 4.624 4.340 0.001 0.000 0.232 784 Q C -0.253 175.862 176.000 0.192 0.000 1.026 784 Q CA -0.553 55.353 55.803 0.171 0.000 0.924 784 Q CB 0.522 29.351 28.738 0.152 0.000 1.256 784 Q HN 0.512 nan 8.270 nan 0.000 0.519 785 A N 0.112 123.009 122.820 0.128 0.000 2.531 785 A HA 0.411 4.731 4.320 0.001 0.000 0.236 785 A C 1.149 178.900 177.584 0.278 0.000 1.062 785 A CA 0.860 52.974 52.037 0.129 0.000 0.760 785 A CB -0.736 18.254 19.000 -0.016 0.000 0.995 785 A HN 1.367 nan 8.150 nan 0.000 0.501 786 G N 0.449 109.438 108.800 0.314 0.000 2.428 786 G HA2 -0.092 3.869 3.960 0.001 0.000 0.199 786 G HA3 -0.092 3.869 3.960 0.001 0.000 0.199 786 G C 0.024 175.024 174.900 0.167 0.000 1.005 786 G CA 0.026 45.330 45.100 0.340 0.000 0.671 786 G HN 1.456 nan 8.290 nan 0.000 0.485 787 V N 3.409 123.435 119.914 0.187 0.000 2.328 787 V HA 0.446 4.567 4.120 0.001 0.000 0.278 787 V C 0.673 176.879 176.094 0.186 0.000 1.021 787 V CA -1.090 61.312 62.300 0.171 0.000 0.838 787 V CB 1.229 33.148 31.823 0.161 0.000 0.999 787 V HN 0.441 nan 8.190 nan 0.000 0.447 788 H N 3.833 122.954 119.070 0.085 0.000 3.173 788 H HA -0.097 4.460 4.556 0.001 0.000 0.311 788 H C 1.695 177.052 175.328 0.048 0.000 0.972 788 H CA 1.097 57.186 56.048 0.069 0.000 1.384 788 H CB 1.119 30.902 29.762 0.035 0.000 1.349 788 H HN 0.896 nan 8.280 nan 0.000 0.582 789 S N 3.077 118.734 115.700 -0.072 0.000 2.380 789 S HA -0.187 4.284 4.470 0.001 0.000 0.229 789 S C 2.332 176.961 174.600 0.050 0.000 1.043 789 S CA 1.155 59.351 58.200 -0.008 0.000 1.038 789 S CB -0.828 62.440 63.200 0.114 0.000 0.872 789 S HN 0.739 nan 8.310 nan 0.000 0.456 790 G N 0.985 110.044 108.800 0.431 0.000 2.479 790 G HA2 -0.109 3.851 3.960 0.001 0.000 0.220 790 G HA3 -0.109 3.851 3.960 0.001 0.000 0.220 790 G C 0.825 175.754 174.900 0.049 0.000 1.115 790 G CA 0.977 46.193 45.100 0.193 0.000 0.757 790 G HN 0.572 nan 8.290 nan 0.000 0.560 791 D N -0.422 120.028 120.400 0.083 0.000 2.395 791 D HA 0.203 4.844 4.640 0.001 0.000 0.213 791 D C 0.585 176.888 176.300 0.005 0.000 1.110 791 D CA -0.006 54.010 54.000 0.027 0.000 0.835 791 D CB 0.695 41.532 40.800 0.062 0.000 0.965 791 D HN 0.087 nan 8.370 nan 0.000 0.505 792 S N 0.352 116.014 115.700 -0.063 0.000 2.616 792 S HA 0.696 5.167 4.470 0.001 0.000 0.277 792 S C 0.234 174.760 174.600 -0.125 0.000 1.234 792 S CA -0.792 57.345 58.200 -0.105 0.000 1.028 792 S CB 1.937 64.978 63.200 -0.265 0.000 0.988 792 S HN 0.204 nan 8.310 nan 0.000 0.522 793 A N 0.831 123.642 122.820 -0.015 0.000 2.322 793 A HA 0.680 5.000 4.320 0.001 0.000 0.269 793 A C 0.273 177.871 177.584 0.023 0.000 1.094 793 A CA -0.589 51.453 52.037 0.007 0.000 0.807 793 A CB -0.353 18.751 19.000 0.173 0.000 1.047 793 A HN 1.248 nan 8.150 nan 0.000 0.487 794 C N -0.496 118.804 119.300 -0.000 0.000 3.288 794 C HA 0.885 5.346 4.460 0.001 0.000 0.318 794 C C -0.310 174.795 174.990 0.193 0.000 1.356 794 C CA -0.499 58.585 59.018 0.109 0.000 1.359 794 C CB 0.979 28.766 27.740 0.078 0.000 1.688 794 C HN 1.068 nan 8.230 nan 0.000 0.467 795 S N 0.471 116.372 115.700 0.336 0.000 2.542 795 S HA 0.855 5.325 4.470 0.001 0.000 0.293 795 S C -1.438 173.449 174.600 0.478 0.000 1.089 795 S CA -0.552 57.920 58.200 0.453 0.000 0.961 795 S CB 1.326 64.821 63.200 0.491 0.000 1.062 795 S HN 1.057 nan 8.310 nan 0.000 0.483 796 L N 5.513 127.041 121.223 0.509 0.000 2.491 796 L HA 0.541 4.882 4.340 0.001 0.000 0.267 796 L C -2.646 174.367 176.870 0.239 0.000 0.971 796 L CA -1.892 53.155 54.840 0.345 0.000 0.857 796 L CB 2.323 44.558 42.059 0.294 0.000 1.226 796 L HN 0.492 nan 8.230 nan 0.000 0.408 797 P HA 0.233 nan 4.420 nan 0.000 0.275 797 P C -0.680 176.836 177.300 0.359 0.000 1.266 797 P CA -0.374 62.799 63.100 0.121 0.000 0.793 797 P CB 0.605 32.269 31.700 -0.061 0.000 1.074 798 A N 0.328 123.310 122.820 0.270 0.000 2.466 798 A HA 0.115 4.436 4.320 0.001 0.000 0.238 798 A C 0.457 178.275 177.584 0.390 0.000 1.074 798 A CA 0.231 52.454 52.037 0.309 0.000 0.774 798 A CB -0.848 18.243 19.000 0.152 0.000 1.015 798 A HN 0.794 nan 8.150 nan 0.000 0.498 799 Y N -1.114 119.224 120.300 0.062 0.000 2.445 799 Y HA 0.324 4.875 4.550 0.001 0.000 0.247 799 Y C 1.247 177.041 175.900 -0.177 0.000 1.129 799 Y CA 0.518 58.556 58.100 -0.103 0.000 1.251 799 Y CB 0.339 38.444 38.460 -0.591 0.000 1.176 799 Y HN 0.620 nan 8.280 nan 0.000 0.522 800 T N -2.170 111.998 114.554 -0.645 0.000 3.046 800 T HA 0.320 4.670 4.350 0.001 0.000 0.270 800 T C -0.017 174.509 174.700 -0.291 0.000 0.920 800 T CA -0.269 61.496 62.100 -0.557 0.000 0.874 800 T CB -0.537 67.868 68.868 -0.772 0.000 1.214 800 T HN 0.142 nan 8.240 nan 0.000 0.536 801 L N 3.966 125.069 121.223 -0.200 0.000 2.367 801 L HA 0.493 4.834 4.340 0.001 0.000 0.275 801 L C 0.909 177.726 176.870 -0.088 0.000 1.129 801 L CA -0.752 54.015 54.840 -0.122 0.000 0.839 801 L CB 1.007 43.017 42.059 -0.082 0.000 1.133 801 L HN 0.392 nan 8.230 nan 0.000 0.453 802 S N 1.593 117.241 115.700 -0.086 0.000 2.560 802 S HA -0.029 4.442 4.470 0.001 0.000 0.284 802 S C 0.717 175.281 174.600 -0.060 0.000 1.327 802 S CA -0.467 57.692 58.200 -0.069 0.000 1.055 802 S CB 1.390 64.550 63.200 -0.067 0.000 0.868 802 S HN 0.699 nan 8.310 nan 0.000 0.506 803 Q N 1.760 121.532 119.800 -0.047 0.000 2.124 803 Q HA -0.181 4.160 4.340 0.001 0.000 0.202 803 Q C 1.961 177.930 176.000 -0.051 0.000 0.977 803 Q CA 2.338 58.115 55.803 -0.043 0.000 0.850 803 Q CB -0.299 28.419 28.738 -0.033 0.000 0.901 803 Q HN 0.923 nan 8.270 nan 0.000 0.429 804 E N 0.034 120.203 120.200 -0.052 0.000 2.049 804 E HA -0.226 4.125 4.350 0.001 0.000 0.198 804 E C 1.913 178.470 176.600 -0.072 0.000 1.007 804 E CA 1.260 57.627 56.400 -0.055 0.000 0.809 804 E CB -0.450 29.219 29.700 -0.051 0.000 0.749 804 E HN 0.377 nan 8.360 nan 0.000 0.450 805 I N 1.756 122.278 120.570 -0.080 0.000 2.252 805 I HA -0.221 3.950 4.170 0.001 0.000 0.245 805 I C 2.426 178.462 176.117 -0.135 0.000 1.102 805 I CA 1.389 62.625 61.300 -0.105 0.000 1.385 805 I CB -0.679 37.261 38.000 -0.099 0.000 1.064 805 I HN 0.175 nan 8.210 nan 0.000 0.414 806 Q N -0.156 119.578 119.800 -0.110 0.000 2.224 806 Q HA -0.196 4.144 4.340 0.001 0.000 0.203 806 Q C 1.595 177.527 176.000 -0.114 0.000 0.970 806 Q CA 1.146 56.878 55.803 -0.118 0.000 0.865 806 Q CB -0.048 28.649 28.738 -0.069 0.000 0.922 806 Q HN 0.453 nan 8.270 nan 0.000 0.445 807 D N 0.205 120.552 120.400 -0.088 0.000 2.144 807 D HA -0.104 4.536 4.640 0.001 0.000 0.200 807 D C 1.974 178.226 176.300 -0.081 0.000 0.978 807 D CA 0.865 54.824 54.000 -0.068 0.000 0.833 807 D CB 0.097 40.867 40.800 -0.050 0.000 0.961 807 D HN 0.066 nan 8.370 nan 0.000 0.470 808 V N 0.955 120.802 119.914 -0.112 0.000 2.343 808 V HA -0.245 3.876 4.120 0.001 0.000 0.247 808 V C 2.532 178.516 176.094 -0.183 0.000 1.051 808 V CA 1.349 63.572 62.300 -0.127 0.000 1.036 808 V CB -0.392 31.341 31.823 -0.149 0.000 0.654 808 V HN 0.188 nan 8.190 nan 0.000 0.451 809 M N -0.926 118.484 119.600 -0.317 0.000 2.132 809 M HA -0.140 4.341 4.480 0.001 0.000 0.263 809 M C 2.478 178.674 176.300 -0.173 0.000 1.065 809 M CA 1.715 56.682 55.300 -0.554 0.000 1.122 809 M CB -0.417 31.562 32.600 -1.034 0.000 1.365 809 M HN 0.153 nan 8.290 nan 0.000 0.411 810 R N -0.025 120.414 120.500 -0.101 0.000 2.096 810 R HA -0.201 4.140 4.340 0.001 0.000 0.240 810 R C 2.288 178.605 176.300 0.029 0.000 1.139 810 R CA 1.782 57.879 56.100 -0.006 0.000 0.952 810 R CB -0.396 29.896 30.300 -0.012 0.000 0.854 810 R HN 0.508 nan 8.270 nan 0.000 0.436 811 Q N 0.305 120.109 119.800 0.006 0.000 1.985 811 Q HA -0.284 4.056 4.340 0.001 0.000 0.207 811 Q C 2.265 178.312 176.000 0.078 0.000 0.996 811 Q CA 1.797 57.622 55.803 0.036 0.000 0.851 811 Q CB -0.224 28.521 28.738 0.011 0.000 0.921 811 Q HN 0.441 nan 8.270 nan 0.000 0.418 812 Q N -0.111 119.739 119.800 0.084 0.000 2.173 812 Q HA -0.190 4.151 4.340 0.001 0.000 0.208 812 Q C 2.161 178.286 176.000 0.208 0.000 0.989 812 Q CA 1.604 57.504 55.803 0.161 0.000 0.872 812 Q CB -0.050 28.829 28.738 0.235 0.000 0.909 812 Q HN 0.199 nan 8.270 nan 0.000 0.420 813 V N 0.546 120.601 119.914 0.234 0.000 2.255 813 V HA -0.347 3.774 4.120 0.001 0.000 0.247 813 V C 2.335 178.479 176.094 0.084 0.000 1.051 813 V CA 2.343 64.755 62.300 0.187 0.000 1.018 813 V CB -0.744 31.191 31.823 0.186 0.000 0.641 813 V HN 0.515 nan 8.190 nan 0.000 0.445 814 Q N -0.058 119.787 119.800 0.076 0.000 2.096 814 Q HA -0.307 4.034 4.340 0.001 0.000 0.204 814 Q C 2.229 178.329 176.000 0.167 0.000 0.982 814 Q CA 2.195 58.034 55.803 0.061 0.000 0.850 814 Q CB -0.116 28.716 28.738 0.157 0.000 0.901 814 Q HN 0.600 nan 8.270 nan 0.000 0.422 815 K N 0.203 120.714 120.400 0.186 0.000 2.009 815 K HA -0.133 4.187 4.320 0.001 0.000 0.210 815 K C 2.129 178.832 176.600 0.172 0.000 1.049 815 K CA 1.738 58.146 56.287 0.203 0.000 0.929 815 K CB -0.211 32.369 32.500 0.133 0.000 0.714 815 K HN 0.200 nan 8.250 nan 0.000 0.440 816 L N 0.480 121.775 121.223 0.121 0.000 2.012 816 L HA -0.263 4.078 4.340 0.001 0.000 0.210 816 L C 2.513 179.419 176.870 0.060 0.000 1.073 816 L CA 1.359 56.260 54.840 0.101 0.000 0.748 816 L CB -0.716 41.405 42.059 0.103 0.000 0.891 816 L HN 0.263 nan 8.230 nan 0.000 0.431 817 A N 0.359 123.161 122.820 -0.030 0.000 1.869 817 A HA -0.272 4.049 4.320 0.001 0.000 0.218 817 A C 2.033 179.541 177.584 -0.126 0.000 1.203 817 A CA 2.229 54.164 52.037 -0.170 0.000 0.638 817 A CB -1.070 17.672 19.000 -0.431 0.000 0.831 817 A HN 0.298 nan 8.150 nan 0.000 0.450 818 F N -0.305 119.672 119.950 0.045 0.000 2.075 818 F HA -0.100 4.427 4.527 0.001 0.000 0.297 818 F C 2.387 178.209 175.800 0.037 0.000 1.113 818 F CA 1.695 59.717 58.000 0.036 0.000 1.218 818 F CB -0.939 38.079 39.000 0.031 0.000 0.984 818 F HN 0.367 nan 8.300 nan 0.000 0.472 819 E N 0.793 121.133 120.200 0.233 0.000 2.171 819 E HA -0.198 4.153 4.350 0.001 0.000 0.197 819 E C 1.766 178.433 176.600 0.112 0.000 0.997 819 E CA 1.476 57.965 56.400 0.147 0.000 0.810 819 E CB -0.532 29.240 29.700 0.119 0.000 0.738 819 E HN 0.481 nan 8.360 nan 0.000 0.467 820 L N -0.178 121.104 121.223 0.098 0.000 2.509 820 L HA 0.099 4.439 4.340 0.001 0.000 0.222 820 L C 0.289 177.196 176.870 0.062 0.000 1.123 820 L CA 0.166 55.052 54.840 0.078 0.000 0.856 820 L CB 0.002 42.104 42.059 0.072 0.000 0.985 820 L HN 0.089 nan 8.230 nan 0.000 0.456 821 Q N -0.458 119.386 119.800 0.074 0.000 2.481 821 Q HA -0.136 4.204 4.340 0.001 0.000 0.283 821 Q C -0.316 175.706 176.000 0.035 0.000 1.292 821 Q CA 0.242 56.087 55.803 0.071 0.000 0.819 821 Q CB -2.340 26.435 28.738 0.062 0.000 1.202 821 Q HN 0.219 nan 8.270 nan 0.000 0.446 822 V N 1.448 121.364 119.914 0.004 0.000 2.740 822 V HA 0.165 4.285 4.120 0.001 0.000 0.303 822 V C 0.931 177.019 176.094 -0.009 0.000 1.054 822 V CA 0.384 62.678 62.300 -0.011 0.000 1.106 822 V CB 1.065 32.865 31.823 -0.039 0.000 0.957 822 V HN 0.160 nan 8.190 nan 0.000 0.486 823 R N 3.497 123.999 120.500 0.004 0.000 2.487 823 R HA 0.629 4.970 4.340 0.001 0.000 0.288 823 R C 0.340 176.649 176.300 0.015 0.000 1.394 823 R CA 0.293 56.399 56.100 0.009 0.000 1.155 823 R CB 0.774 31.079 30.300 0.010 0.000 1.156 823 R HN 1.112 nan 8.270 nan 0.000 0.553 824 G N 1.202 110.016 108.800 0.024 0.000 2.395 824 G HA2 -0.177 3.783 3.960 0.001 0.000 0.201 824 G HA3 -0.177 3.783 3.960 0.001 0.000 0.201 824 G C -1.131 173.812 174.900 0.071 0.000 1.206 824 G CA -0.930 44.207 45.100 0.062 0.000 1.210 824 G HN 0.306 nan 8.290 nan 0.000 0.557 825 L N 1.516 122.815 121.223 0.127 0.000 2.418 825 L HA 0.810 5.151 4.340 0.001 0.000 0.265 825 L C 0.910 177.815 176.870 0.057 0.000 1.143 825 L CA -0.149 54.744 54.840 0.089 0.000 0.809 825 L CB 1.331 43.445 42.059 0.091 0.000 1.124 825 L HN 0.932 nan 8.230 nan 0.000 0.456 826 M N 1.159 120.777 119.600 0.030 0.000 2.644 826 M HA 0.513 4.993 4.480 0.001 0.000 0.273 826 M C -1.717 174.591 176.300 0.013 0.000 1.253 826 M CA -0.763 54.545 55.300 0.015 0.000 0.852 826 M CB 2.404 35.001 32.600 -0.006 0.000 1.708 826 M HN 0.485 nan 8.290 nan 0.000 0.471 827 N N 1.208 119.907 118.700 -0.001 0.000 2.287 827 N HA 0.668 5.408 4.740 0.001 0.000 0.289 827 N C -2.450 173.031 175.510 -0.049 0.000 1.066 827 N CA -0.285 52.763 53.050 -0.002 0.000 0.841 827 N CB 2.982 41.477 38.487 0.013 0.000 1.599 827 N HN 0.666 nan 8.380 nan 0.000 0.476 828 V N 2.650 122.528 119.914 -0.059 0.000 2.638 828 V HA 0.396 4.516 4.120 0.001 0.000 0.306 828 V C -0.600 175.336 176.094 -0.263 0.000 1.052 828 V CA -0.670 61.504 62.300 -0.210 0.000 0.885 828 V CB 1.874 33.531 31.823 -0.278 0.000 0.999 828 V HN 0.622 nan 8.190 nan 0.000 0.424 829 Q N 3.488 123.069 119.800 -0.364 0.000 2.333 829 Q HA 0.641 4.982 4.340 0.001 0.000 0.265 829 Q C -1.557 174.216 176.000 -0.378 0.000 0.989 829 Q CA -0.234 55.417 55.803 -0.253 0.000 0.842 829 Q CB 2.123 30.780 28.738 -0.135 0.000 1.262 829 Q HN 0.631 nan 8.270 nan 0.000 0.451 830 F N 0.616 120.556 119.950 -0.017 0.000 2.594 830 F HA 0.799 5.327 4.527 0.001 0.000 0.335 830 F C -0.011 175.769 175.800 -0.032 0.000 1.058 830 F CA -1.006 56.996 58.000 0.004 0.000 0.981 830 F CB 1.639 40.641 39.000 0.003 0.000 1.289 830 F HN 0.459 nan 8.300 nan 0.000 0.490 831 A N 0.862 123.838 122.820 0.260 0.000 2.381 831 A HA 0.735 5.055 4.320 0.001 0.000 0.299 831 A C -1.813 175.882 177.584 0.185 0.000 1.049 831 A CA -0.626 51.483 52.037 0.120 0.000 0.715 831 A CB 1.235 20.242 19.000 0.011 0.000 1.222 831 A HN 0.478 nan 8.150 nan 0.000 0.428 832 V N 3.078 123.045 119.914 0.088 0.000 2.334 832 V HA 0.457 4.578 4.120 0.001 0.000 0.281 832 V C 0.048 176.178 176.094 0.060 0.000 1.016 832 V CA -0.317 62.040 62.300 0.095 0.000 0.832 832 V CB 1.176 33.008 31.823 0.016 0.000 0.999 832 V HN 0.820 nan 8.190 nan 0.000 0.439 833 K N 3.985 124.473 120.400 0.148 0.000 2.507 833 K HA 0.437 4.757 4.320 0.001 0.000 0.252 833 K C -0.139 176.543 176.600 0.136 0.000 0.943 833 K CA -0.624 55.705 56.287 0.070 0.000 0.808 833 K CB 0.839 33.293 32.500 -0.075 0.000 1.142 833 K HN 0.774 nan 8.250 nan 0.000 0.426 834 N N 3.685 122.416 118.700 0.053 0.000 2.681 834 N HA -0.251 4.490 4.740 0.001 0.000 0.259 834 N C -0.396 175.136 175.510 0.037 0.000 1.066 834 N CA 0.762 53.837 53.050 0.042 0.000 0.717 834 N CB -0.986 37.533 38.487 0.054 0.000 0.885 834 N HN 0.938 nan 8.380 nan 0.000 0.547 835 N N -1.082 117.624 118.700 0.010 0.000 2.650 835 N HA -0.253 4.487 4.740 0.001 0.000 0.249 835 N C -1.186 174.313 175.510 -0.018 0.000 1.155 835 N CA 1.378 54.420 53.050 -0.014 0.000 0.747 835 N CB -0.132 38.339 38.487 -0.027 0.000 1.132 835 N HN 0.598 nan 8.380 nan 0.000 0.564 836 E N 0.263 120.480 120.200 0.028 0.000 2.212 836 E HA 0.366 4.717 4.350 0.001 0.000 0.268 836 E C -0.511 176.087 176.600 -0.004 0.000 0.902 836 E CA -0.701 55.680 56.400 -0.031 0.000 0.779 836 E CB 2.452 32.149 29.700 -0.006 0.000 1.172 836 E HN -0.045 nan 8.360 nan 0.000 0.409 837 V N 3.931 123.747 119.914 -0.163 0.000 2.370 837 V HA 0.295 4.416 4.120 0.001 0.000 0.279 837 V C -0.853 175.172 176.094 -0.116 0.000 1.029 837 V CA -0.540 61.726 62.300 -0.056 0.000 0.870 837 V CB -0.077 31.674 31.823 -0.120 0.000 0.984 837 V HN 0.535 nan 8.190 nan 0.000 0.451 838 Y N 3.954 124.326 120.300 0.121 0.000 2.446 838 Y HA 0.633 5.184 4.550 0.001 0.000 0.338 838 Y C -0.175 175.837 175.900 0.187 0.000 1.055 838 Y CA -1.158 57.014 58.100 0.119 0.000 1.101 838 Y CB 1.841 40.332 38.460 0.052 0.000 1.221 838 Y HN 0.411 nan 8.280 nan 0.000 0.460 839 L N 3.162 124.551 121.223 0.276 0.000 2.257 839 L HA 0.363 4.703 4.340 0.001 0.000 0.290 839 L C 0.138 177.091 176.870 0.139 0.000 1.044 839 L CA 0.449 55.380 54.840 0.152 0.000 0.810 839 L CB 0.304 42.443 42.059 0.132 0.000 1.193 839 L HN 0.756 nan 8.230 nan 0.000 0.425 840 I N 2.595 123.186 120.570 0.035 0.000 2.260 840 I HA 0.043 4.214 4.170 0.001 0.000 0.237 840 I C 0.338 176.472 176.117 0.028 0.000 1.075 840 I CA 0.541 61.858 61.300 0.027 0.000 1.376 840 I CB 0.244 38.228 38.000 -0.027 0.000 1.107 840 I HN 0.723 nan 8.210 nan 0.000 0.420 841 E N -0.876 119.268 120.200 -0.094 0.000 2.416 841 E HA 0.468 4.819 4.350 0.001 0.000 0.280 841 E C -1.547 174.864 176.600 -0.314 0.000 1.055 841 E CA -0.831 55.409 56.400 -0.268 0.000 0.825 841 E CB 2.006 31.547 29.700 -0.265 0.000 1.312 841 E HN -0.191 nan 8.360 nan 0.000 0.452 842 V N 1.926 121.530 119.914 -0.517 0.000 2.459 842 V HA 0.440 4.561 4.120 0.001 0.000 0.295 842 V C -0.793 175.151 176.094 -0.250 0.000 1.029 842 V CA -0.950 61.169 62.300 -0.302 0.000 0.874 842 V CB 1.539 33.241 31.823 -0.201 0.000 0.985 842 V HN 0.623 nan 8.190 nan 0.000 0.438 843 N N 5.828 124.447 118.700 -0.134 0.000 2.564 843 N HA 0.345 5.086 4.740 0.001 0.000 0.248 843 N C -2.732 172.757 175.510 -0.035 0.000 0.986 843 N CA -1.323 51.681 53.050 -0.077 0.000 0.921 843 N CB 2.272 40.740 38.487 -0.031 0.000 1.136 843 N HN 0.367 nan 8.380 nan 0.000 0.509 844 P HA 0.160 nan 4.420 nan 0.000 0.218 844 P C -0.418 176.900 177.300 0.030 0.000 1.793 844 P CA 0.108 63.206 63.100 -0.003 0.000 0.941 844 P CB -0.068 31.627 31.700 -0.009 0.000 1.919 845 R N -1.427 119.103 120.500 0.051 0.000 2.835 845 R HA 0.756 5.097 4.340 0.001 0.000 0.271 845 R C -1.260 175.104 176.300 0.106 0.000 1.013 845 R CA -1.231 54.931 56.100 0.102 0.000 0.876 845 R CB 0.101 30.460 30.300 0.098 0.000 1.348 845 R HN -0.119 nan 8.270 nan 0.000 0.453 846 A N 0.575 123.476 122.820 0.134 0.000 2.409 846 A HA 0.661 4.981 4.320 0.001 0.000 0.262 846 A C -0.026 177.639 177.584 0.136 0.000 1.113 846 A CA 0.127 52.180 52.037 0.028 0.000 0.790 846 A CB 0.257 19.119 19.000 -0.230 0.000 1.046 846 A HN 0.782 nan 8.150 nan 0.000 0.496 847 A N 2.040 124.890 122.820 0.051 0.000 2.306 847 A HA 0.582 4.903 4.320 0.001 0.000 0.330 847 A C 1.265 178.757 177.584 -0.154 0.000 1.146 847 A CA -0.349 51.729 52.037 0.067 0.000 0.827 847 A CB 0.469 19.498 19.000 0.048 0.000 1.178 847 A HN 1.087 nan 8.150 nan 0.000 0.490 848 R N 0.028 120.376 120.500 -0.254 0.000 2.249 848 R HA -0.129 4.212 4.340 0.001 0.000 0.230 848 R C 0.815 176.953 176.300 -0.269 0.000 1.121 848 R CA 2.113 57.910 56.100 -0.505 0.000 0.997 848 R CB -0.953 29.102 30.300 -0.409 0.000 0.867 848 R HN 0.654 nan 8.270 nan 0.000 0.465 849 T N -2.057 112.427 114.554 -0.117 0.000 3.088 849 T HA 0.129 4.480 4.350 0.001 0.000 0.259 849 T C 1.865 176.577 174.700 0.020 0.000 1.122 849 T CA 0.350 62.444 62.100 -0.010 0.000 1.095 849 T CB 0.092 69.001 68.868 0.069 0.000 0.930 849 T HN 0.029 nan 8.240 nan 0.000 0.508 850 V N 2.959 122.827 119.914 -0.076 0.000 2.252 850 V HA -0.141 3.979 4.120 0.001 0.000 0.249 850 V C -0.114 175.915 176.094 -0.108 0.000 1.056 850 V CA 2.080 64.334 62.300 -0.076 0.000 1.022 850 V CB -1.511 30.243 31.823 -0.116 0.000 0.641 850 V HN 0.395 nan 8.190 nan 0.000 0.445 851 P HA -0.196 nan 4.420 nan 0.000 0.215 851 P C 1.736 178.888 177.300 -0.247 0.000 1.157 851 P CA 1.605 64.391 63.100 -0.523 0.000 0.868 851 P CB -0.181 30.895 31.700 -1.040 0.000 0.788 852 F N 0.576 120.378 119.950 -0.247 0.000 2.043 852 F HA -0.261 4.267 4.527 0.001 0.000 0.297 852 F C 2.053 177.820 175.800 -0.054 0.000 1.121 852 F CA 1.579 59.499 58.000 -0.132 0.000 1.199 852 F CB -0.947 37.996 39.000 -0.095 0.000 0.968 852 F HN -0.312 nan 8.300 nan 0.000 0.478 853 V N 0.067 119.906 119.914 -0.125 0.000 2.282 853 V HA -0.375 3.746 4.120 0.001 0.000 0.249 853 V C 2.510 178.506 176.094 -0.163 0.000 1.057 853 V CA 2.270 64.460 62.300 -0.184 0.000 1.032 853 V CB -1.092 30.724 31.823 -0.011 0.000 0.645 853 V HN 0.455 nan 8.190 nan 0.000 0.447 854 S N -0.914 114.734 115.700 -0.086 0.000 2.370 854 S HA -0.264 4.207 4.470 0.001 0.000 0.226 854 S C 2.045 176.641 174.600 -0.007 0.000 1.033 854 S CA 1.830 60.017 58.200 -0.022 0.000 1.011 854 S CB -0.327 62.912 63.200 0.064 0.000 0.852 854 S HN 0.434 nan 8.310 nan 0.000 0.457 855 K N 1.498 121.878 120.400 -0.033 0.000 2.097 855 K HA 0.172 4.493 4.320 0.001 0.000 0.205 855 K C 2.029 178.716 176.600 0.145 0.000 1.050 855 K CA 1.102 57.430 56.287 0.068 0.000 0.938 855 K CB -0.578 31.894 32.500 -0.046 0.000 0.718 855 K HN 0.305 nan 8.250 nan 0.000 0.442 856 A N -0.284 122.483 122.820 -0.089 0.000 1.897 856 A HA -0.115 4.206 4.320 0.001 0.000 0.215 856 A C 2.162 179.804 177.584 0.097 0.000 1.181 856 A CA 2.082 54.113 52.037 -0.010 0.000 0.620 856 A CB -0.909 17.908 19.000 -0.306 0.000 0.821 856 A HN 0.467 nan 8.150 nan 0.000 0.443 857 T N -4.797 109.729 114.554 -0.047 0.000 3.067 857 T HA 0.372 4.723 4.350 0.001 0.000 0.257 857 T C 1.496 176.062 174.700 -0.222 0.000 1.105 857 T CA 1.209 63.252 62.100 -0.097 0.000 1.104 857 T CB 0.040 68.845 68.868 -0.104 0.000 0.925 857 T HN 1.704 nan 8.240 nan 0.000 0.498 858 G N 0.634 109.179 108.800 -0.424 0.000 2.184 858 G HA2 -0.224 3.737 3.960 0.001 0.000 0.264 858 G HA3 -0.224 3.737 3.960 0.001 0.000 0.264 858 G C 0.062 174.728 174.900 -0.390 0.000 0.975 858 G CA 0.096 44.571 45.100 -1.041 0.000 0.642 858 G HN 0.759 nan 8.290 nan 0.000 0.536 859 V N 2.262 122.064 119.914 -0.187 0.000 2.364 859 V HA 0.418 4.538 4.120 0.001 0.000 0.272 859 V C -1.617 174.477 176.094 0.001 0.000 1.036 859 V CA -1.406 60.847 62.300 -0.078 0.000 0.880 859 V CB 1.655 33.443 31.823 -0.059 0.000 0.991 859 V HN 0.104 nan 8.190 nan 0.000 0.460 860 P HA 0.156 nan 4.420 nan 0.000 0.235 860 P C 1.119 178.501 177.300 0.136 0.000 1.765 860 P CA -0.003 63.182 63.100 0.141 0.000 1.034 860 P CB 0.069 31.843 31.700 0.124 0.000 1.984 861 L N 0.883 122.167 121.223 0.101 0.000 2.064 861 L HA -0.319 4.022 4.340 0.001 0.000 0.216 861 L C 2.485 179.416 176.870 0.100 0.000 1.077 861 L CA 2.311 57.196 54.840 0.075 0.000 0.766 861 L CB -1.394 40.687 42.059 0.037 0.000 0.890 861 L HN 0.172 nan 8.230 nan 0.000 0.435 862 A N -0.385 122.504 122.820 0.116 0.000 1.930 862 A HA -0.190 4.131 4.320 0.001 0.000 0.217 862 A C 2.366 180.119 177.584 0.281 0.000 1.175 862 A CA 1.686 53.794 52.037 0.119 0.000 0.627 862 A CB -0.338 18.658 19.000 -0.006 0.000 0.815 862 A HN 0.377 nan 8.150 nan 0.000 0.443 863 K N -0.415 120.118 120.400 0.223 0.000 2.002 863 K HA -0.079 4.241 4.320 0.001 0.000 0.209 863 K C 1.920 178.589 176.600 0.115 0.000 1.048 863 K CA 1.494 57.867 56.287 0.143 0.000 0.930 863 K CB -0.468 32.068 32.500 0.061 0.000 0.714 863 K HN 0.291 nan 8.250 nan 0.000 0.438 864 V N 1.521 121.497 119.914 0.104 0.000 2.287 864 V HA -0.272 3.848 4.120 0.001 0.000 0.248 864 V C 2.343 178.492 176.094 0.092 0.000 1.053 864 V CA 2.166 64.514 62.300 0.080 0.000 1.027 864 V CB -0.733 31.127 31.823 0.061 0.000 0.646 864 V HN 0.389 nan 8.190 nan 0.000 0.447 865 A N -0.484 122.419 122.820 0.138 0.000 2.066 865 A HA 0.086 4.406 4.320 0.001 0.000 0.218 865 A C 2.332 179.992 177.584 0.128 0.000 1.157 865 A CA 1.619 53.747 52.037 0.153 0.000 0.670 865 A CB -0.491 18.638 19.000 0.214 0.000 0.804 865 A HN 0.555 nan 8.150 nan 0.000 0.453 866 A N -0.034 122.869 122.820 0.139 0.000 1.897 866 A HA -0.057 4.264 4.320 0.001 0.000 0.215 866 A C 2.203 179.764 177.584 -0.037 0.000 1.181 866 A CA 1.257 53.294 52.037 -0.001 0.000 0.620 866 A CB -0.370 18.642 19.000 0.019 0.000 0.821 866 A HN 0.497 nan 8.150 nan 0.000 0.443 867 R N -0.558 119.951 120.500 0.014 0.000 2.081 867 R HA -0.082 4.258 4.340 0.001 0.000 0.235 867 R C 2.025 178.332 176.300 0.013 0.000 1.131 867 R CA 1.446 57.557 56.100 0.019 0.000 0.960 867 R CB -0.499 29.829 30.300 0.046 0.000 0.856 867 R HN 0.386 nan 8.270 nan 0.000 0.436 868 V N 1.250 121.176 119.914 0.020 0.000 2.261 868 V HA -0.305 3.815 4.120 0.001 0.000 0.246 868 V C 2.319 178.409 176.094 -0.006 0.000 1.047 868 V CA 1.947 64.258 62.300 0.018 0.000 1.015 868 V CB -0.417 31.424 31.823 0.030 0.000 0.642 868 V HN 0.343 nan 8.190 nan 0.000 0.446 869 M N 0.174 119.755 119.600 -0.031 0.000 2.144 869 M HA -0.190 4.290 4.480 0.001 0.000 0.260 869 M C 2.122 178.372 176.300 -0.083 0.000 1.067 869 M CA 2.210 57.470 55.300 -0.066 0.000 1.095 869 M CB -0.588 31.942 32.600 -0.116 0.000 1.365 869 M HN 0.402 nan 8.290 nan 0.000 0.406 870 A N -0.729 122.026 122.820 -0.109 0.000 2.238 870 A HA 0.352 4.673 4.320 0.001 0.000 0.208 870 A C 1.737 179.310 177.584 -0.019 0.000 1.177 870 A CA 1.069 53.023 52.037 -0.138 0.000 0.804 870 A CB -0.424 18.373 19.000 -0.338 0.000 0.823 870 A HN 0.667 nan 8.150 nan 0.000 0.482 871 G N -1.219 107.586 108.800 0.007 0.000 2.480 871 G HA2 -0.148 3.813 3.960 0.001 0.000 0.193 871 G HA3 -0.148 3.813 3.960 0.001 0.000 0.193 871 G C 0.247 175.174 174.900 0.046 0.000 1.004 871 G CA 0.048 45.171 45.100 0.038 0.000 0.696 871 G HN 0.431 nan 8.290 nan 0.000 0.478 872 K N 2.560 122.990 120.400 0.050 0.000 2.263 872 K HA 0.539 4.860 4.320 0.001 0.000 0.282 872 K C 1.172 177.796 176.600 0.040 0.000 1.089 872 K CA 0.339 56.655 56.287 0.048 0.000 0.907 872 K CB 0.586 33.121 32.500 0.058 0.000 1.148 872 K HN 0.453 nan 8.250 nan 0.000 0.470 873 S N 3.317 119.040 115.700 0.038 0.000 2.572 873 S HA -0.033 4.438 4.470 0.001 0.000 0.267 873 S C 1.440 176.062 174.600 0.037 0.000 1.361 873 S CA -0.344 57.880 58.200 0.039 0.000 1.009 873 S CB 0.468 63.692 63.200 0.040 0.000 0.888 873 S HN 0.649 nan 8.310 nan 0.000 0.553 874 L N 1.717 122.963 121.223 0.038 0.000 2.017 874 L HA -0.113 4.227 4.340 0.001 0.000 0.208 874 L C 3.126 180.014 176.870 0.030 0.000 1.073 874 L CA 1.699 56.560 54.840 0.034 0.000 0.745 874 L CB -1.289 40.791 42.059 0.036 0.000 0.894 874 L HN 0.966 nan 8.230 nan 0.000 0.432 875 A N 0.041 122.881 122.820 0.033 0.000 1.884 875 A HA -0.302 4.019 4.320 0.001 0.000 0.219 875 A C 2.156 179.754 177.584 0.023 0.000 1.197 875 A CA 2.216 54.270 52.037 0.028 0.000 0.637 875 A CB -0.666 18.353 19.000 0.030 0.000 0.827 875 A HN 0.476 nan 8.150 nan 0.000 0.450 876 E N -0.600 119.615 120.200 0.026 0.000 2.153 876 E HA -0.206 4.145 4.350 0.001 0.000 0.194 876 E C 2.114 178.728 176.600 0.023 0.000 0.988 876 E CA 1.351 57.765 56.400 0.024 0.000 0.811 876 E CB -0.117 29.600 29.700 0.028 0.000 0.746 876 E HN 0.794 nan 8.360 nan 0.000 0.466 877 Q N -1.032 118.783 119.800 0.025 0.000 2.408 877 Q HA 0.109 4.450 4.340 0.001 0.000 0.205 877 Q C 0.976 176.985 176.000 0.016 0.000 0.919 877 Q CA 0.471 56.287 55.803 0.022 0.000 0.932 877 Q CB 0.933 29.687 28.738 0.026 0.000 1.058 877 Q HN 0.311 nan 8.270 nan 0.000 0.517 878 G N 1.154 109.963 108.800 0.015 0.000 2.182 878 G HA2 -0.224 3.737 3.960 0.001 0.000 0.248 878 G HA3 -0.224 3.737 3.960 0.001 0.000 0.248 878 G C -0.126 174.779 174.900 0.008 0.000 1.042 878 G CA 0.130 45.236 45.100 0.011 0.000 0.775 878 G HN 0.211 nan 8.290 nan 0.000 0.501 879 V N 0.906 120.827 119.914 0.011 0.000 2.327 879 V HA 0.604 4.725 4.120 0.001 0.000 0.272 879 V C 0.834 176.935 176.094 0.012 0.000 1.019 879 V CA 0.345 62.649 62.300 0.008 0.000 0.814 879 V CB 0.915 32.743 31.823 0.010 0.000 1.040 879 V HN 0.642 nan 8.190 nan 0.000 0.440 880 T N -0.527 114.033 114.554 0.009 0.000 2.966 880 T HA 0.260 4.611 4.350 0.001 0.000 0.254 880 T C 0.453 175.159 174.700 0.011 0.000 0.961 880 T CA -0.289 61.819 62.100 0.015 0.000 0.915 880 T CB 0.480 69.359 68.868 0.018 0.000 1.186 880 T HN 0.446 nan 8.240 nan 0.000 0.505 881 K N 2.252 122.653 120.400 0.001 0.000 2.182 881 K HA 0.460 4.781 4.320 0.001 0.000 0.262 881 K C -0.534 176.059 176.600 -0.012 0.000 0.957 881 K CA -0.529 55.755 56.287 -0.004 0.000 0.842 881 K CB 2.341 34.836 32.500 -0.007 0.000 1.099 881 K HN 0.290 nan 8.250 nan 0.000 0.438 882 E N 2.333 122.526 120.200 -0.012 0.000 2.415 882 E HA 0.055 4.406 4.350 0.001 0.000 0.263 882 E C -0.763 175.815 176.600 -0.036 0.000 0.995 882 E CA -0.328 56.060 56.400 -0.019 0.000 0.915 882 E CB 0.762 30.454 29.700 -0.013 0.000 0.951 882 E HN 0.219 nan 8.360 nan 0.000 0.449 883 V N 5.853 125.738 119.914 -0.047 0.000 2.617 883 V HA 0.312 4.433 4.120 0.001 0.000 0.298 883 V C 0.081 176.123 176.094 -0.087 0.000 1.048 883 V CA -0.633 61.624 62.300 -0.071 0.000 0.964 883 V CB 1.519 33.291 31.823 -0.085 0.000 1.004 883 V HN 0.583 nan 8.190 nan 0.000 0.466 884 I N 4.840 125.341 120.570 -0.115 0.000 2.540 884 I HA 0.360 4.531 4.170 0.001 0.000 0.280 884 I C -2.476 173.505 176.117 -0.226 0.000 1.083 884 I CA -2.011 59.201 61.300 -0.147 0.000 1.080 884 I CB 1.546 39.477 38.000 -0.116 0.000 1.205 884 I HN 0.475 nan 8.210 nan 0.000 0.459 885 P HA 0.249 nan 4.420 nan 0.000 0.269 885 P C -2.022 174.919 177.300 -0.599 0.000 1.215 885 P CA -0.987 61.745 63.100 -0.614 0.000 0.780 885 P CB 0.049 31.145 31.700 -1.008 0.000 0.898 886 P HA 0.009 nan 4.420 nan 0.000 0.245 886 P C -0.412 176.757 177.300 -0.218 0.000 1.212 886 P CA 0.789 63.706 63.100 -0.306 0.000 0.774 886 P CB -0.217 31.404 31.700 -0.131 0.000 0.999 887 Y N -3.277 116.980 120.300 -0.073 0.000 2.665 887 Y HA 0.665 5.216 4.550 0.001 0.000 0.336 887 Y C -0.541 175.295 175.900 -0.106 0.000 1.085 887 Y CA -2.079 56.002 58.100 -0.031 0.000 1.096 887 Y CB 0.309 38.785 38.460 0.027 0.000 1.301 887 Y HN -0.360 nan 8.280 nan 0.000 0.493 888 Y N 0.521 121.033 120.300 0.353 0.000 2.361 888 Y HA 0.600 5.150 4.550 0.001 0.000 0.332 888 Y C -0.285 175.796 175.900 0.302 0.000 1.101 888 Y CA -0.335 57.935 58.100 0.284 0.000 1.137 888 Y CB 2.156 40.764 38.460 0.246 0.000 1.207 888 Y HN 0.618 nan 8.280 nan 0.000 0.463 889 S N 2.244 118.220 115.700 0.460 0.000 2.605 889 S HA 0.613 5.083 4.470 0.001 0.000 0.308 889 S C -1.198 173.704 174.600 0.505 0.000 1.113 889 S CA -0.733 57.688 58.200 0.369 0.000 1.049 889 S CB 1.220 64.526 63.200 0.177 0.000 1.001 889 S HN 0.323 nan 8.310 nan 0.000 0.480 890 V N 3.896 124.029 119.914 0.364 0.000 2.495 890 V HA 0.509 4.630 4.120 0.001 0.000 0.298 890 V C -0.057 176.097 176.094 0.101 0.000 1.031 890 V CA -0.770 61.676 62.300 0.244 0.000 0.871 890 V CB 1.876 33.727 31.823 0.046 0.000 0.988 890 V HN 0.725 nan 8.190 nan 0.000 0.432 891 K N 3.344 123.633 120.400 -0.185 0.000 2.182 891 K HA 0.627 4.948 4.320 0.001 0.000 0.262 891 K C -0.894 175.534 176.600 -0.287 0.000 0.957 891 K CA -0.408 55.617 56.287 -0.437 0.000 0.842 891 K CB 1.920 33.755 32.500 -1.108 0.000 1.099 891 K HN 0.784 nan 8.250 nan 0.000 0.438 892 E N 2.651 122.706 120.200 -0.242 0.000 2.312 892 E HA 0.344 4.695 4.350 0.001 0.000 0.267 892 E C -1.212 175.289 176.600 -0.164 0.000 0.894 892 E CA -0.892 55.383 56.400 -0.207 0.000 0.773 892 E CB 1.697 31.229 29.700 -0.279 0.000 1.241 892 E HN 0.366 nan 8.360 nan 0.000 0.432 893 V N 0.788 120.630 119.914 -0.120 0.000 3.193 893 V HA 0.872 4.993 4.120 0.001 0.000 0.320 893 V C -0.295 175.754 176.094 -0.074 0.000 1.112 893 V CA -0.401 61.840 62.300 -0.097 0.000 1.026 893 V CB 1.494 33.268 31.823 -0.082 0.000 1.128 893 V HN 0.703 nan 8.190 nan 0.000 0.452 894 V N 0.221 120.095 119.914 -0.066 0.000 2.531 894 V HA 0.735 4.856 4.120 0.001 0.000 0.301 894 V C -0.709 175.340 176.094 -0.075 0.000 1.034 894 V CA -0.571 61.697 62.300 -0.054 0.000 0.865 894 V CB 0.971 32.768 31.823 -0.044 0.000 0.995 894 V HN 0.894 nan 8.190 nan 0.000 0.424 895 L N 5.744 126.914 121.223 -0.090 0.000 2.334 895 L HA 0.660 5.001 4.340 0.001 0.000 0.272 895 L C -1.588 175.157 176.870 -0.209 0.000 1.020 895 L CA -1.558 53.147 54.840 -0.225 0.000 0.812 895 L CB 2.565 44.404 42.059 -0.367 0.000 1.264 895 L HN 0.454 nan 8.230 nan 0.000 0.439 896 P HA 0.087 nan 4.420 nan 0.000 0.257 896 P C 1.163 178.405 177.300 -0.097 0.000 1.281 896 P CA 0.105 63.102 63.100 -0.171 0.000 0.826 896 P CB 0.114 31.752 31.700 -0.104 0.000 1.237 897 F N 2.743 122.742 119.950 0.081 0.000 2.120 897 F HA -0.235 4.293 4.527 0.001 0.000 0.300 897 F C 2.188 177.988 175.800 0.000 0.000 1.095 897 F CA 1.616 59.682 58.000 0.111 0.000 1.249 897 F CB -1.852 37.238 39.000 0.150 0.000 0.995 897 F HN 0.122 nan 8.300 nan 0.000 0.480 898 N N 0.627 119.405 118.700 0.130 0.000 2.430 898 N HA -0.203 4.538 4.740 0.001 0.000 0.186 898 N C 1.179 176.598 175.510 -0.151 0.000 1.032 898 N CA 1.138 54.191 53.050 0.004 0.000 0.893 898 N CB -0.522 37.964 38.487 -0.002 0.000 0.957 898 N HN 0.201 nan 8.380 nan 0.000 0.442 899 K N -0.268 119.915 120.400 -0.362 0.000 2.365 899 K HA 0.078 4.398 4.320 0.001 0.000 0.197 899 K C -0.293 175.746 176.600 -0.936 0.000 1.042 899 K CA 0.275 56.102 56.287 -0.767 0.000 0.987 899 K CB 0.039 31.779 32.500 -1.267 0.000 0.779 899 K HN 0.309 nan 8.250 nan 0.000 0.484 900 F N 0.584 120.507 119.950 -0.044 0.000 2.769 900 F HA 0.281 4.808 4.527 0.001 0.000 0.358 900 F C -1.929 173.903 175.800 0.053 0.000 1.285 900 F CA -2.343 55.657 58.000 0.001 0.000 1.199 900 F CB 1.420 40.396 39.000 -0.041 0.000 1.558 900 F HN -0.184 nan 8.300 nan 0.000 0.583 901 P HA -0.111 nan 4.420 nan 0.000 0.218 901 P C 1.816 179.171 177.300 0.091 0.000 1.148 901 P CA 1.349 64.499 63.100 0.082 0.000 0.822 901 P CB 0.239 31.949 31.700 0.017 0.000 0.784 902 G N -0.557 108.312 108.800 0.116 0.000 2.708 902 G HA2 0.021 3.982 3.960 0.001 0.000 0.210 902 G HA3 0.021 3.982 3.960 0.001 0.000 0.210 902 G C 0.405 175.371 174.900 0.110 0.000 1.141 902 G CA 0.047 45.203 45.100 0.092 0.000 0.788 902 G HN 0.205 nan 8.290 nan 0.000 0.531 903 V N 0.408 120.422 119.914 0.167 0.000 2.617 903 V HA 0.222 4.342 4.120 0.001 0.000 0.298 903 V C -0.359 175.765 176.094 0.050 0.000 1.048 903 V CA -1.043 61.363 62.300 0.178 0.000 0.964 903 V CB 1.942 33.987 31.823 0.370 0.000 1.004 903 V HN 0.110 nan 8.190 nan 0.000 0.466 904 D N 5.484 125.877 120.400 -0.013 0.000 2.339 904 D HA 0.208 4.849 4.640 0.001 0.000 0.256 904 D C -2.153 173.917 176.300 -0.383 0.000 1.214 904 D CA -1.886 52.033 54.000 -0.135 0.000 0.877 904 D CB 1.488 42.238 40.800 -0.083 0.000 1.111 904 D HN 0.244 nan 8.370 nan 0.000 0.478 905 P HA 0.153 nan 4.420 nan 0.000 0.226 905 P C -0.773 176.122 177.300 -0.674 0.000 1.783 905 P CA -0.401 61.913 63.100 -1.311 0.000 0.980 905 P CB -0.200 31.173 31.700 -0.545 0.000 1.967 906 L N 1.453 122.389 121.223 -0.479 0.000 2.386 906 L HA 0.407 4.748 4.340 0.001 0.000 0.271 906 L C -0.711 176.230 176.870 0.118 0.000 0.993 906 L CA -1.116 53.686 54.840 -0.063 0.000 0.819 906 L CB 1.653 43.681 42.059 -0.051 0.000 1.294 906 L HN -0.055 nan 8.230 nan 0.000 0.414 907 L N 4.168 125.488 121.223 0.161 0.000 2.436 907 L HA 0.765 5.106 4.340 0.001 0.000 0.265 907 L C 0.744 177.693 176.870 0.131 0.000 1.168 907 L CA 0.203 55.155 54.840 0.186 0.000 0.815 907 L CB 0.719 42.873 42.059 0.159 0.000 1.109 907 L HN 0.859 nan 8.230 nan 0.000 0.462 908 G N 0.752 109.628 108.800 0.128 0.000 2.619 908 G HA2 0.376 4.337 3.960 0.001 0.000 0.305 908 G HA3 0.376 4.337 3.960 0.001 0.000 0.305 908 G C -2.638 172.324 174.900 0.103 0.000 1.330 908 G CA -0.357 44.794 45.100 0.086 0.000 0.789 908 G HN 0.346 nan 8.290 nan 0.000 0.487 909 P HA 0.063 nan 4.420 nan 0.000 0.242 909 P C 0.166 177.569 177.300 0.172 0.000 1.197 909 P CA 0.785 63.947 63.100 0.103 0.000 0.765 909 P CB 0.471 32.183 31.700 0.020 0.000 0.936 910 E N 0.275 120.529 120.200 0.090 0.000 2.166 910 E HA 0.328 4.678 4.350 0.001 0.000 0.275 910 E C -0.492 176.039 176.600 -0.114 0.000 0.941 910 E CA -1.095 55.304 56.400 -0.001 0.000 0.784 910 E CB 1.001 30.669 29.700 -0.053 0.000 1.115 910 E HN -0.110 nan 8.360 nan 0.000 0.399 911 M N 4.466 123.814 119.600 -0.420 0.000 2.238 911 M HA 0.115 4.596 4.480 0.001 0.000 0.350 911 M C 0.036 176.179 176.300 -0.261 0.000 1.321 911 M CA 0.609 55.624 55.300 -0.474 0.000 1.097 911 M CB 0.367 32.476 32.600 -0.819 0.000 1.713 911 M HN 0.560 nan 8.290 nan 0.000 0.455 912 R N 1.194 121.594 120.500 -0.167 0.000 2.556 912 R HA 0.175 4.516 4.340 0.001 0.000 0.276 912 R C 0.050 176.301 176.300 -0.082 0.000 0.931 912 R CA 0.270 56.292 56.100 -0.130 0.000 1.061 912 R CB 0.639 30.878 30.300 -0.102 0.000 1.432 912 R HN 0.848 nan 8.270 nan 0.000 0.547 913 S N -0.499 115.139 115.700 -0.104 0.000 2.585 913 S HA 0.059 4.530 4.470 0.001 0.000 0.273 913 S C 1.174 175.744 174.600 -0.049 0.000 1.339 913 S CA 0.203 58.347 58.200 -0.093 0.000 1.028 913 S CB 1.487 64.636 63.200 -0.084 0.000 0.906 913 S HN 0.291 nan 8.310 nan 0.000 0.528 914 T N -1.405 113.123 114.554 -0.043 0.000 3.015 914 T HA 0.496 4.847 4.350 0.001 0.000 0.250 914 T C 0.813 175.495 174.700 -0.029 0.000 1.057 914 T CA 0.238 62.325 62.100 -0.022 0.000 1.066 914 T CB -0.183 68.674 68.868 -0.018 0.000 0.959 914 T HN 1.067 nan 8.240 nan 0.000 0.488 915 G N 0.579 109.353 108.800 -0.044 0.000 2.749 915 G HA2 0.648 4.608 3.960 0.001 0.000 0.300 915 G HA3 0.648 4.608 3.960 0.001 0.000 0.300 915 G C -2.012 172.848 174.900 -0.067 0.000 1.352 915 G CA -0.866 44.207 45.100 -0.046 0.000 0.789 915 G HN 0.538 nan 8.290 nan 0.000 0.509 916 E N -2.145 118.012 120.200 -0.071 0.000 2.423 916 E HA 0.627 4.978 4.350 0.001 0.000 0.280 916 E C -1.229 175.324 176.600 -0.078 0.000 1.030 916 E CA -1.037 55.307 56.400 -0.095 0.000 0.812 916 E CB 2.083 31.704 29.700 -0.132 0.000 1.313 916 E HN 1.084 nan 8.360 nan 0.000 0.456 917 V N -1.631 118.228 119.914 -0.092 0.000 3.074 917 V HA 0.790 4.911 4.120 0.001 0.000 0.314 917 V C -0.561 175.501 176.094 -0.053 0.000 1.117 917 V CA -1.058 61.202 62.300 -0.067 0.000 1.014 917 V CB 1.827 33.603 31.823 -0.078 0.000 1.057 917 V HN 0.933 nan 8.190 nan 0.000 0.438 918 M N 1.793 121.392 119.600 -0.002 0.000 2.530 918 M HA 0.879 5.360 4.480 0.001 0.000 0.307 918 M C -0.420 175.890 176.300 0.016 0.000 1.161 918 M CA -0.191 55.155 55.300 0.078 0.000 0.903 918 M CB 2.178 34.882 32.600 0.174 0.000 1.711 918 M HN 1.197 nan 8.290 nan 0.000 0.451 919 G N 2.697 111.512 108.800 0.025 0.000 2.643 919 G HA2 0.644 4.605 3.960 0.001 0.000 0.305 919 G HA3 0.644 4.605 3.960 0.001 0.000 0.305 919 G C -1.857 173.055 174.900 0.019 0.000 1.387 919 G CA -0.511 44.572 45.100 -0.030 0.000 0.982 919 G HN 0.620 nan 8.290 nan 0.000 0.501 920 V N 1.132 121.035 119.914 -0.018 0.000 2.417 920 V HA 0.923 5.044 4.120 0.001 0.000 0.291 920 V C 0.626 176.722 176.094 0.004 0.000 1.024 920 V CA -0.056 62.230 62.300 -0.025 0.000 0.861 920 V CB 1.222 32.945 31.823 -0.168 0.000 0.985 920 V HN 1.136 nan 8.190 nan 0.000 0.436 921 G N 3.204 112.066 108.800 0.103 0.000 2.704 921 G HA2 0.480 4.440 3.960 0.001 0.000 0.293 921 G HA3 0.480 4.440 3.960 0.001 0.000 0.293 921 G C -0.066 174.970 174.900 0.226 0.000 1.421 921 G CA -0.791 44.377 45.100 0.112 0.000 0.870 921 G HN 0.515 nan 8.290 nan 0.000 0.492 922 R N -0.996 119.607 120.500 0.171 0.000 2.152 922 R HA 0.057 4.398 4.340 0.001 0.000 0.232 922 R C 1.256 177.723 176.300 0.277 0.000 1.117 922 R CA 1.658 57.877 56.100 0.198 0.000 0.981 922 R CB -0.071 30.304 30.300 0.124 0.000 0.870 922 R HN 0.664 nan 8.270 nan 0.000 0.451 923 T N -4.857 109.838 114.554 0.235 0.000 2.883 923 T HA 0.181 4.532 4.350 0.001 0.000 0.296 923 T C 0.414 175.129 174.700 0.025 0.000 1.117 923 T CA -0.941 61.281 62.100 0.203 0.000 1.006 923 T CB 1.280 70.217 68.868 0.115 0.000 1.191 923 T HN 0.030 nan 8.240 nan 0.000 0.508 924 F N 1.927 121.590 119.950 -0.479 0.000 2.126 924 F HA 0.040 4.567 4.527 0.001 0.000 0.299 924 F C 2.523 178.217 175.800 -0.177 0.000 1.096 924 F CA 2.226 59.884 58.000 -0.570 0.000 1.255 924 F CB -0.797 37.768 39.000 -0.726 0.000 0.997 924 F HN 0.807 nan 8.300 nan 0.000 0.479 925 A N 0.121 122.877 122.820 -0.106 0.000 1.873 925 A HA -0.306 4.015 4.320 0.001 0.000 0.218 925 A C 2.257 179.753 177.584 -0.146 0.000 1.193 925 A CA 2.053 54.018 52.037 -0.119 0.000 0.629 925 A CB -1.259 17.753 19.000 0.021 0.000 0.826 925 A HN 0.610 nan 8.150 nan 0.000 0.447 926 E N -0.426 119.725 120.200 -0.082 0.000 2.085 926 E HA -0.165 4.185 4.350 0.001 0.000 0.194 926 E C 2.211 178.755 176.600 -0.094 0.000 0.994 926 E CA 1.097 57.461 56.400 -0.060 0.000 0.801 926 E CB -0.255 29.441 29.700 -0.006 0.000 0.743 926 E HN 0.565 nan 8.360 nan 0.000 0.453 927 A N 0.549 123.302 122.820 -0.111 0.000 1.858 927 A HA -0.192 4.129 4.320 0.001 0.000 0.216 927 A C 2.014 179.472 177.584 -0.210 0.000 1.190 927 A CA 1.347 53.322 52.037 -0.104 0.000 0.617 927 A CB -0.966 18.035 19.000 0.001 0.000 0.827 927 A HN 0.473 nan 8.150 nan 0.000 0.443 928 F N 0.749 120.372 119.950 -0.546 0.000 2.134 928 F HA -0.086 4.442 4.527 0.001 0.000 0.299 928 F C 2.556 178.170 175.800 -0.311 0.000 1.097 928 F CA 1.264 58.947 58.000 -0.528 0.000 1.264 928 F CB -0.192 38.306 39.000 -0.838 0.000 1.001 928 F HN 0.254 nan 8.300 nan 0.000 0.479 929 A N -0.052 122.691 122.820 -0.128 0.000 1.933 929 A HA -0.200 4.121 4.320 0.001 0.000 0.218 929 A C 2.174 179.630 177.584 -0.214 0.000 1.175 929 A CA 1.802 53.753 52.037 -0.144 0.000 0.628 929 A CB -0.568 18.378 19.000 -0.090 0.000 0.814 929 A HN 0.441 nan 8.150 nan 0.000 0.444 930 K N -0.255 120.027 120.400 -0.196 0.000 2.025 930 K HA 0.019 4.340 4.320 0.001 0.000 0.207 930 K C 2.351 178.827 176.600 -0.206 0.000 1.049 930 K CA 1.083 57.266 56.287 -0.172 0.000 0.933 930 K CB -0.319 32.109 32.500 -0.121 0.000 0.714 930 K HN 0.415 nan 8.250 nan 0.000 0.438 931 A N 1.359 124.012 122.820 -0.279 0.000 1.877 931 A HA -0.266 4.055 4.320 0.001 0.000 0.216 931 A C 2.188 179.536 177.584 -0.393 0.000 1.186 931 A CA 1.606 53.449 52.037 -0.323 0.000 0.620 931 A CB -0.645 18.105 19.000 -0.417 0.000 0.822 931 A HN 0.347 nan 8.150 nan 0.000 0.443 932 Q N -1.005 118.452 119.800 -0.571 0.000 2.045 932 Q HA -0.221 4.119 4.340 0.001 0.000 0.206 932 Q C 2.032 177.875 176.000 -0.262 0.000 0.991 932 Q CA 1.952 57.471 55.803 -0.473 0.000 0.851 932 Q CB -0.282 28.157 28.738 -0.499 0.000 0.911 932 Q HN 0.555 nan 8.270 nan 0.000 0.418 933 L N 0.139 121.229 121.223 -0.222 0.000 2.046 933 L HA -0.034 4.307 4.340 0.001 0.000 0.208 933 L C 2.109 178.922 176.870 -0.095 0.000 1.077 933 L CA 2.349 57.102 54.840 -0.145 0.000 0.747 933 L CB -0.984 40.978 42.059 -0.162 0.000 0.896 933 L HN 0.297 nan 8.230 nan 0.000 0.432 934 G N -1.318 107.411 108.800 -0.118 0.000 2.450 934 G HA2 -0.300 3.661 3.960 0.001 0.000 0.220 934 G HA3 -0.300 3.661 3.960 0.001 0.000 0.220 934 G C 1.484 176.342 174.900 -0.069 0.000 1.130 934 G CA 0.922 45.974 45.100 -0.081 0.000 0.760 934 G HN 0.593 nan 8.290 nan 0.000 0.557 935 S N -0.410 115.232 115.700 -0.097 0.000 2.720 935 S HA 0.037 4.508 4.470 0.001 0.000 0.222 935 S C 1.062 175.644 174.600 -0.030 0.000 0.958 935 S CA 0.759 58.916 58.200 -0.072 0.000 0.943 935 S CB -0.646 62.494 63.200 -0.099 0.000 0.779 935 S HN 0.607 nan 8.310 nan 0.000 0.526 936 N N 0.177 118.867 118.700 -0.016 0.000 2.829 936 N HA -0.199 4.542 4.740 0.001 0.000 0.250 936 N C -0.186 175.346 175.510 0.037 0.000 1.090 936 N CA 0.562 53.623 53.050 0.019 0.000 0.781 936 N CB -1.638 36.862 38.487 0.022 0.000 1.124 936 N HN 0.560 nan 8.380 nan 0.000 0.559 937 S N -0.401 115.306 115.700 0.011 0.000 2.573 937 S HA 0.157 4.627 4.470 0.001 0.000 0.277 937 S C 1.441 176.076 174.600 0.058 0.000 1.346 937 S CA 0.897 59.125 58.200 0.047 0.000 1.034 937 S CB 0.967 64.106 63.200 -0.101 0.000 0.879 937 S HN 0.332 nan 8.310 nan 0.000 0.528 938 T N 2.273 116.909 114.554 0.138 0.000 3.176 938 T HA 0.273 4.624 4.350 0.001 0.000 0.263 938 T C 0.394 175.173 174.700 0.132 0.000 1.021 938 T CA -0.537 61.645 62.100 0.136 0.000 0.905 938 T CB -0.237 68.737 68.868 0.177 0.000 1.057 938 T HN 0.519 nan 8.240 nan 0.000 0.558 939 M N 2.983 122.610 119.600 0.044 0.000 2.246 939 M HA 0.252 4.733 4.480 0.001 0.000 0.327 939 M C -0.264 176.050 176.300 0.024 0.000 1.090 939 M CA 0.124 55.431 55.300 0.013 0.000 1.087 939 M CB 0.102 32.528 32.600 -0.289 0.000 1.587 939 M HN 0.006 nan 8.290 nan 0.000 0.444 940 K N 3.765 124.204 120.400 0.065 0.000 2.350 940 K HA 0.359 4.679 4.320 0.001 0.000 0.241 940 K C -0.079 176.539 176.600 0.029 0.000 0.994 940 K CA -0.738 55.539 56.287 -0.018 0.000 0.839 940 K CB 1.429 33.799 32.500 -0.217 0.000 1.244 940 K HN 0.620 nan 8.250 nan 0.000 0.443 941 K N 0.897 121.286 120.400 -0.018 0.000 2.444 941 K HA 0.013 4.333 4.320 0.001 0.000 0.193 941 K C 0.649 177.132 176.600 -0.195 0.000 1.024 941 K CA 0.459 56.766 56.287 0.034 0.000 1.077 941 K CB 0.156 32.691 32.500 0.057 0.000 0.833 941 K HN 0.592 nan 8.250 nan 0.000 0.517 942 H N -2.048 116.755 119.070 -0.446 0.000 2.943 942 H HA 0.621 5.177 4.556 0.001 0.000 0.323 942 H C 0.181 175.043 175.328 -0.777 0.000 1.296 942 H CA -0.191 55.375 56.048 -0.803 0.000 1.155 942 H CB 1.456 31.010 29.762 -0.346 0.000 1.882 942 H HN 0.085 nan 8.280 nan 0.000 0.553 943 G N 0.465 108.984 108.800 -0.468 0.000 2.378 943 G HA2 -0.058 3.903 3.960 0.001 0.000 0.198 943 G HA3 -0.058 3.903 3.960 0.001 0.000 0.198 943 G C -1.257 173.719 174.900 0.127 0.000 1.223 943 G CA -0.383 44.667 45.100 -0.083 0.000 1.088 943 G HN 0.830 nan 8.290 nan 0.000 0.530 944 R N 0.215 120.911 120.500 0.327 0.000 2.534 944 R HA 0.702 5.043 4.340 0.001 0.000 0.301 944 R C -0.030 176.607 176.300 0.561 0.000 0.961 944 R CA 0.045 56.405 56.100 0.433 0.000 0.871 944 R CB 1.369 31.846 30.300 0.295 0.000 1.170 944 R HN 1.435 nan 8.270 nan 0.000 0.446 945 A N 4.401 127.485 122.820 0.441 0.000 2.305 945 A HA 0.463 4.784 4.320 0.001 0.000 0.322 945 A C -1.257 176.312 177.584 -0.026 0.000 1.187 945 A CA -0.714 51.431 52.037 0.181 0.000 0.825 945 A CB 1.134 20.187 19.000 0.088 0.000 1.164 945 A HN 0.620 nan 8.150 nan 0.000 0.498 946 L N 3.015 124.000 121.223 -0.396 0.000 2.287 946 L HA 0.694 5.035 4.340 0.001 0.000 0.287 946 L C -1.493 175.167 176.870 -0.350 0.000 1.022 946 L CA -0.258 54.261 54.840 -0.535 0.000 0.814 946 L CB 0.908 42.278 42.059 -1.148 0.000 1.217 946 L HN 0.489 nan 8.230 nan 0.000 0.420 947 L N 4.761 125.862 121.223 -0.205 0.000 2.305 947 L HA 0.663 5.004 4.340 0.001 0.000 0.284 947 L C -0.002 176.796 176.870 -0.120 0.000 1.013 947 L CA 0.102 54.849 54.840 -0.155 0.000 0.819 947 L CB 1.667 43.671 42.059 -0.092 0.000 1.227 947 L HN 0.707 nan 8.230 nan 0.000 0.417 948 S N 3.340 118.970 115.700 -0.117 0.000 2.423 948 S HA 0.615 5.085 4.470 0.001 0.000 0.213 948 S C -0.805 173.756 174.600 -0.065 0.000 1.131 948 S CA -0.544 57.609 58.200 -0.079 0.000 1.155 948 S CB 0.412 63.557 63.200 -0.090 0.000 1.202 948 S HN 0.449 nan 8.310 nan 0.000 0.441 949 V N 2.897 122.786 119.914 -0.042 0.000 3.103 949 V HA 0.856 4.977 4.120 0.001 0.000 0.318 949 V C -0.121 175.964 176.094 -0.016 0.000 1.114 949 V CA -1.436 60.847 62.300 -0.029 0.000 1.020 949 V CB 1.419 33.229 31.823 -0.021 0.000 1.085 949 V HN 0.893 nan 8.190 nan 0.000 0.446 950 R N 0.232 120.724 120.500 -0.012 0.000 2.577 950 R HA 0.486 4.827 4.340 0.001 0.000 0.269 950 R C 1.009 177.308 176.300 -0.002 0.000 1.084 950 R CA -0.186 55.905 56.100 -0.016 0.000 1.163 950 R CB 0.241 30.523 30.300 -0.030 0.000 1.100 950 R HN 0.731 nan 8.270 nan 0.000 0.547 951 E N 1.679 121.874 120.200 -0.008 0.000 2.110 951 E HA -0.227 4.124 4.350 0.001 0.000 0.225 951 E C 1.943 178.553 176.600 0.017 0.000 1.063 951 E CA 2.635 59.036 56.400 0.002 0.000 0.906 951 E CB -1.027 28.666 29.700 -0.010 0.000 0.795 951 E HN 0.896 nan 8.360 nan 0.000 0.479 952 G N -0.249 108.563 108.800 0.021 0.000 2.527 952 G HA2 -0.231 3.730 3.960 0.001 0.000 0.219 952 G HA3 -0.231 3.730 3.960 0.001 0.000 0.219 952 G C 1.037 175.967 174.900 0.051 0.000 1.117 952 G CA 1.038 46.162 45.100 0.041 0.000 0.759 952 G HN 0.224 nan 8.290 nan 0.000 0.556 953 D N -0.307 120.119 120.400 0.044 0.000 2.366 953 D HA 0.080 4.720 4.640 0.001 0.000 0.205 953 D C 2.254 178.584 176.300 0.051 0.000 1.022 953 D CA 0.192 54.225 54.000 0.055 0.000 0.868 953 D CB 0.141 40.968 40.800 0.046 0.000 0.953 953 D HN 0.181 nan 8.370 nan 0.000 0.514 954 K N 0.802 121.224 120.400 0.036 0.000 2.160 954 K HA -0.139 4.181 4.320 0.001 0.000 0.206 954 K C 1.870 178.494 176.600 0.040 0.000 1.047 954 K CA 0.980 57.285 56.287 0.031 0.000 0.930 954 K CB 0.187 32.702 32.500 0.024 0.000 0.720 954 K HN 0.167 nan 8.250 nan 0.000 0.450 955 E N -0.164 120.065 120.200 0.048 0.000 2.028 955 E HA -0.118 4.233 4.350 0.001 0.000 0.190 955 E C 2.116 178.759 176.600 0.073 0.000 0.984 955 E CA 0.812 57.242 56.400 0.051 0.000 0.800 955 E CB 0.103 29.830 29.700 0.046 0.000 0.758 955 E HN 0.167 nan 8.360 nan 0.000 0.448 956 R N 0.341 120.901 120.500 0.100 0.000 2.115 956 R HA -0.073 4.268 4.340 0.001 0.000 0.230 956 R C 2.328 178.752 176.300 0.207 0.000 1.111 956 R CA 0.476 56.680 56.100 0.174 0.000 0.976 956 R CB -0.162 30.267 30.300 0.214 0.000 0.870 956 R HN 0.080 nan 8.270 nan 0.000 0.445 957 V N 0.684 120.662 119.914 0.107 0.000 2.867 957 V HA -0.177 3.943 4.120 0.001 0.000 0.260 957 V C 1.887 178.002 176.094 0.034 0.000 1.099 957 V CA 1.386 63.708 62.300 0.036 0.000 1.122 957 V CB 0.029 31.854 31.823 0.003 0.000 0.708 957 V HN 0.123 nan 8.190 nan 0.000 0.490 958 V N 0.239 120.191 119.914 0.065 0.000 2.295 958 V HA -0.242 3.878 4.120 0.001 0.000 0.246 958 V C 2.373 178.513 176.094 0.076 0.000 1.049 958 V CA 2.436 64.769 62.300 0.056 0.000 1.024 958 V CB -0.847 31.008 31.823 0.053 0.000 0.648 958 V HN 0.667 nan 8.190 nan 0.000 0.447 959 D N -0.076 120.407 120.400 0.138 0.000 2.123 959 D HA -0.182 4.459 4.640 0.001 0.000 0.196 959 D C 1.935 178.337 176.300 0.169 0.000 0.992 959 D CA 1.246 55.357 54.000 0.185 0.000 0.833 959 D CB -0.174 40.788 40.800 0.270 0.000 0.954 959 D HN 0.278 nan 8.370 nan 0.000 0.455 960 L N 0.542 121.817 121.223 0.086 0.000 2.017 960 L HA 0.012 4.353 4.340 0.001 0.000 0.208 960 L C 2.205 179.024 176.870 -0.085 0.000 1.073 960 L CA 2.215 56.949 54.840 -0.177 0.000 0.745 960 L CB -1.231 40.522 42.059 -0.511 0.000 0.894 960 L HN 0.067 nan 8.230 nan 0.000 0.432 961 A N -0.379 122.417 122.820 -0.040 0.000 1.908 961 A HA -0.169 4.152 4.320 0.001 0.000 0.218 961 A C 2.470 180.065 177.584 0.017 0.000 1.181 961 A CA 2.158 54.188 52.037 -0.013 0.000 0.627 961 A CB -1.270 17.731 19.000 0.003 0.000 0.818 961 A HN 0.608 nan 8.150 nan 0.000 0.445 962 A N -0.154 122.687 122.820 0.035 0.000 1.908 962 A HA -0.198 4.123 4.320 0.001 0.000 0.218 962 A C 2.098 179.715 177.584 0.054 0.000 1.181 962 A CA 1.939 54.006 52.037 0.050 0.000 0.627 962 A CB -0.490 18.546 19.000 0.059 0.000 0.818 962 A HN 0.576 nan 8.150 nan 0.000 0.445 963 K N -0.350 120.080 120.400 0.051 0.000 2.063 963 K HA -0.095 4.226 4.320 0.001 0.000 0.208 963 K C 1.859 178.483 176.600 0.040 0.000 1.048 963 K CA 1.538 57.855 56.287 0.049 0.000 0.928 963 K CB -0.448 32.087 32.500 0.057 0.000 0.713 963 K HN 0.470 nan 8.250 nan 0.000 0.442 964 L N 0.793 122.015 121.223 -0.002 0.000 2.046 964 L HA -0.199 4.141 4.340 0.001 0.000 0.208 964 L C 2.340 179.317 176.870 0.178 0.000 1.077 964 L CA 1.100 55.946 54.840 0.009 0.000 0.747 964 L CB -0.437 41.547 42.059 -0.125 0.000 0.896 964 L HN 0.167 nan 8.230 nan 0.000 0.432 965 L N -0.506 120.792 121.223 0.126 0.000 2.046 965 L HA -0.224 4.116 4.340 0.001 0.000 0.208 965 L C 2.721 179.664 176.870 0.122 0.000 1.077 965 L CA 1.221 56.142 54.840 0.135 0.000 0.747 965 L CB -0.518 41.594 42.059 0.090 0.000 0.896 965 L HN 0.211 nan 8.230 nan 0.000 0.432 966 K N -0.196 120.264 120.400 0.100 0.000 2.063 966 K HA -0.247 4.073 4.320 0.001 0.000 0.208 966 K C 2.138 178.799 176.600 0.102 0.000 1.048 966 K CA 1.423 57.761 56.287 0.085 0.000 0.928 966 K CB 0.017 32.559 32.500 0.070 0.000 0.713 966 K HN 0.121 nan 8.250 nan 0.000 0.442 967 Q N -0.632 119.260 119.800 0.152 0.000 2.500 967 Q HA -0.028 4.312 4.340 0.001 0.000 0.213 967 Q C 0.730 176.825 176.000 0.159 0.000 0.974 967 Q CA 1.062 56.981 55.803 0.193 0.000 0.918 967 Q CB 0.118 29.050 28.738 0.323 0.000 0.980 967 Q HN 0.591 nan 8.270 nan 0.000 0.505 968 G N -1.512 107.377 108.800 0.149 0.000 2.131 968 G HA2 -0.256 3.705 3.960 0.001 0.000 0.223 968 G HA3 -0.256 3.705 3.960 0.001 0.000 0.223 968 G C -0.153 174.785 174.900 0.063 0.000 0.990 968 G CA -0.162 44.979 45.100 0.069 0.000 0.671 968 G HN 0.257 nan 8.290 nan 0.000 0.521 969 F N 0.923 120.909 119.950 0.060 0.000 2.371 969 F HA 0.578 5.106 4.527 0.001 0.000 0.329 969 F C 1.044 176.889 175.800 0.076 0.000 1.107 969 F CA -0.285 57.761 58.000 0.077 0.000 1.137 969 F CB 0.904 39.951 39.000 0.078 0.000 1.214 969 F HN 0.063 nan 8.300 nan 0.000 0.536 970 E N 2.109 122.481 120.200 0.286 0.000 2.242 970 E HA 0.511 4.861 4.350 0.001 0.000 0.275 970 E C -1.135 175.602 176.600 0.228 0.000 1.002 970 E CA -0.595 55.924 56.400 0.199 0.000 0.841 970 E CB 1.358 31.142 29.700 0.140 0.000 1.109 970 E HN 0.385 nan 8.360 nan 0.000 0.394 971 L N 2.081 123.400 121.223 0.161 0.000 2.334 971 L HA 0.540 4.881 4.340 0.001 0.000 0.273 971 L C -0.601 176.346 176.870 0.127 0.000 1.013 971 L CA -0.970 53.952 54.840 0.138 0.000 0.816 971 L CB 1.485 43.593 42.059 0.083 0.000 1.278 971 L HN 0.402 nan 8.230 nan 0.000 0.431 972 D N 0.763 121.241 120.400 0.129 0.000 2.527 972 D HA 0.835 5.476 4.640 0.001 0.000 0.233 972 D C -0.936 175.382 176.300 0.031 0.000 1.063 972 D CA -0.158 53.914 54.000 0.121 0.000 0.880 972 D CB 2.377 43.329 40.800 0.252 0.000 1.457 972 D HN 0.696 nan 8.370 nan 0.000 0.475 973 A N 0.147 122.979 122.820 0.020 0.000 2.606 973 A HA 0.732 5.052 4.320 0.001 0.000 0.293 973 A C -0.335 177.248 177.584 -0.002 0.000 1.082 973 A CA -0.774 51.255 52.037 -0.013 0.000 0.685 973 A CB 1.114 20.104 19.000 -0.016 0.000 1.284 973 A HN 0.478 nan 8.150 nan 0.000 0.408 974 T N -1.796 112.755 114.554 -0.006 0.000 2.899 974 T HA 0.400 4.751 4.350 0.001 0.000 0.284 974 T C 1.105 175.839 174.700 0.057 0.000 1.004 974 T CA 0.634 62.749 62.100 0.025 0.000 1.043 974 T CB 0.612 69.490 68.868 0.018 0.000 1.013 974 T HN 0.821 nan 8.240 nan 0.000 0.518 975 H N 1.937 121.002 119.070 -0.009 0.000 2.314 975 H HA -0.206 4.351 4.556 0.001 0.000 0.288 975 H C 2.414 177.743 175.328 0.001 0.000 1.091 975 H CA 3.044 59.092 56.048 -0.001 0.000 1.155 975 H CB -0.944 28.822 29.762 0.005 0.000 1.362 975 H HN 0.854 nan 8.280 nan 0.000 0.530 976 G N -1.606 107.343 108.800 0.248 0.000 2.513 976 G HA2 -0.359 3.602 3.960 0.001 0.000 0.219 976 G HA3 -0.359 3.602 3.960 0.001 0.000 0.219 976 G C 1.764 176.696 174.900 0.053 0.000 1.160 976 G CA 1.694 46.884 45.100 0.150 0.000 0.767 976 G HN 0.527 nan 8.290 nan 0.000 0.571 977 T N 1.610 116.182 114.554 0.030 0.000 2.737 977 T HA 0.058 4.409 4.350 0.001 0.000 0.265 977 T C 2.832 177.523 174.700 -0.014 0.000 1.038 977 T CA 1.575 63.677 62.100 0.003 0.000 1.144 977 T CB -0.474 68.388 68.868 -0.009 0.000 0.866 977 T HN 0.420 nan 8.240 nan 0.000 0.434 978 A N 1.790 124.590 122.820 -0.033 0.000 1.917 978 A HA -0.114 4.206 4.320 0.001 0.000 0.219 978 A C 2.256 179.798 177.584 -0.070 0.000 1.182 978 A CA 1.258 53.259 52.037 -0.060 0.000 0.633 978 A CB -0.805 18.136 19.000 -0.098 0.000 0.819 978 A HN 0.405 nan 8.150 nan 0.000 0.448 979 I N -0.226 120.290 120.570 -0.090 0.000 2.069 979 I HA -0.241 3.929 4.170 0.001 0.000 0.237 979 I C 2.548 178.650 176.117 -0.026 0.000 1.053 979 I CA 1.697 62.956 61.300 -0.068 0.000 1.311 979 I CB -1.361 36.613 38.000 -0.044 0.000 1.030 979 I HN 0.185 nan 8.210 nan 0.000 0.398 980 V N 1.306 121.216 119.914 -0.007 0.000 2.282 980 V HA -0.299 3.822 4.120 0.001 0.000 0.249 980 V C 2.629 178.725 176.094 0.003 0.000 1.057 980 V CA 1.772 64.075 62.300 0.004 0.000 1.032 980 V CB -0.682 31.148 31.823 0.012 0.000 0.645 980 V HN 0.358 nan 8.190 nan 0.000 0.447 981 L N 0.328 121.549 121.223 -0.002 0.000 2.046 981 L HA -0.107 4.234 4.340 0.001 0.000 0.208 981 L C 2.709 179.579 176.870 0.000 0.000 1.077 981 L CA 1.788 56.629 54.840 0.002 0.000 0.747 981 L CB -1.300 40.759 42.059 0.000 0.000 0.896 981 L HN 0.478 nan 8.230 nan 0.000 0.432 982 G N -0.041 108.752 108.800 -0.011 0.000 2.442 982 G HA2 -0.245 3.716 3.960 0.001 0.000 0.219 982 G HA3 -0.245 3.716 3.960 0.001 0.000 0.219 982 G C 1.347 176.244 174.900 -0.004 0.000 1.141 982 G CA 0.654 45.747 45.100 -0.012 0.000 0.763 982 G HN 0.499 nan 8.290 nan 0.000 0.554 983 E N 0.499 120.698 120.200 -0.002 0.000 2.478 983 E HA 0.154 4.504 4.350 0.001 0.000 0.198 983 E C 2.408 179.014 176.600 0.009 0.000 1.046 983 E CA 0.415 56.818 56.400 0.004 0.000 0.870 983 E CB 0.039 29.743 29.700 0.006 0.000 0.818 983 E HN 0.466 nan 8.360 nan 0.000 0.527 984 A N 0.461 123.287 122.820 0.011 0.000 2.220 984 A HA 0.357 4.678 4.320 0.001 0.000 0.211 984 A C 1.745 179.338 177.584 0.016 0.000 1.176 984 A CA 0.688 52.734 52.037 0.016 0.000 0.834 984 A CB 0.218 19.230 19.000 0.020 0.000 0.868 984 A HN 0.311 nan 8.150 nan 0.000 0.488 985 G N -1.139 107.668 108.800 0.013 0.000 2.184 985 G HA2 -0.151 3.810 3.960 0.001 0.000 0.206 985 G HA3 -0.151 3.810 3.960 0.001 0.000 0.206 985 G C -0.010 174.899 174.900 0.015 0.000 0.995 985 G CA 0.011 45.119 45.100 0.013 0.000 0.651 985 G HN 0.364 nan 8.290 nan 0.000 0.511 986 I N 1.568 122.147 120.570 0.015 0.000 2.321 986 I HA 0.306 4.477 4.170 0.001 0.000 0.291 986 I C -0.116 176.008 176.117 0.011 0.000 0.998 986 I CA -0.554 60.756 61.300 0.017 0.000 1.227 986 I CB 1.279 39.292 38.000 0.021 0.000 1.368 986 I HN 0.113 nan 8.210 nan 0.000 0.466 987 N N 8.223 126.932 118.700 0.014 0.000 2.707 987 N HA 0.326 5.066 4.740 0.001 0.000 0.235 987 N C -2.395 173.124 175.510 0.016 0.000 1.028 987 N CA -1.319 51.736 53.050 0.008 0.000 0.906 987 N CB 0.901 39.392 38.487 0.006 0.000 1.131 987 N HN 0.387 nan 8.380 nan 0.000 0.509 988 P HA 0.101 nan 4.420 nan 0.000 0.274 988 P C -0.552 176.763 177.300 0.025 0.000 1.256 988 P CA -0.467 62.649 63.100 0.027 0.000 0.795 988 P CB 1.144 32.855 31.700 0.019 0.000 1.038 989 R N 1.043 121.568 120.500 0.042 0.000 2.298 989 R HA 0.274 4.614 4.340 0.001 0.000 0.310 989 R C -0.142 176.180 176.300 0.037 0.000 1.068 989 R CA -0.668 55.454 56.100 0.038 0.000 0.957 989 R CB -0.073 30.258 30.300 0.050 0.000 1.003 989 R HN 0.389 nan 8.270 nan 0.000 0.454 990 L N 5.260 126.494 121.223 0.018 0.000 2.439 990 L HA 0.332 4.673 4.340 0.001 0.000 0.269 990 L C -0.872 176.018 176.870 0.034 0.000 1.179 990 L CA 0.281 55.130 54.840 0.015 0.000 0.828 990 L CB 1.498 43.553 42.059 -0.007 0.000 1.106 990 L HN 0.480 nan 8.230 nan 0.000 0.467 991 V N 4.926 124.866 119.914 0.043 0.000 2.925 991 V HA 0.522 4.643 4.120 0.001 0.000 0.311 991 V C -0.644 175.476 176.094 0.042 0.000 1.104 991 V CA -0.751 61.583 62.300 0.056 0.000 0.954 991 V CB 2.408 34.292 31.823 0.102 0.000 1.022 991 V HN 0.987 nan 8.190 nan 0.000 0.427 992 N N 3.625 122.348 118.700 0.039 0.000 2.518 992 N HA 0.393 5.133 4.740 0.001 0.000 0.283 992 N C -0.753 174.752 175.510 -0.010 0.000 1.119 992 N CA -0.550 52.505 53.050 0.010 0.000 0.983 992 N CB 1.077 39.569 38.487 0.008 0.000 1.139 992 N HN 0.615 nan 8.380 nan 0.000 0.465 993 K N 0.643 120.960 120.400 -0.139 0.000 2.219 993 K HA 0.073 4.393 4.320 0.001 0.000 0.258 993 K C 0.895 177.342 176.600 -0.254 0.000 1.008 993 K CA -0.485 55.669 56.287 -0.222 0.000 0.928 993 K CB 0.721 32.993 32.500 -0.379 0.000 0.983 993 K HN 0.237 nan 8.250 nan 0.000 0.484 994 V N 2.094 121.867 119.914 -0.235 0.000 2.332 994 V HA -0.293 3.828 4.120 0.001 0.000 0.248 994 V C 2.230 178.258 176.094 -0.110 0.000 1.055 994 V CA 2.007 64.133 62.300 -0.289 0.000 1.038 994 V CB -1.079 30.500 31.823 -0.407 0.000 0.651 994 V HN 0.864 nan 8.190 nan 0.000 0.450 995 H N -0.025 119.024 119.070 -0.036 0.000 2.521 995 H HA -0.080 4.477 4.556 0.001 0.000 0.286 995 H C 1.842 177.181 175.328 0.018 0.000 1.034 995 H CA 1.460 57.502 56.048 -0.010 0.000 1.278 995 H CB -0.164 29.584 29.762 -0.024 0.000 1.386 995 H HN 0.515 nan 8.280 nan 0.000 0.567 996 E N 0.940 120.933 120.200 -0.345 0.000 2.285 996 E HA 0.189 4.540 4.350 0.001 0.000 0.194 996 E C 0.834 177.418 176.600 -0.027 0.000 0.997 996 E CA 0.492 56.792 56.400 -0.167 0.000 0.845 996 E CB 0.327 29.890 29.700 -0.229 0.000 0.782 996 E HN 0.707 nan 8.360 nan 0.000 0.491 997 G N 0.065 108.878 108.800 0.023 0.000 2.331 997 G HA2 -0.088 3.873 3.960 0.001 0.000 0.479 997 G HA3 -0.088 3.873 3.960 0.001 0.000 0.479 997 G C -1.216 173.709 174.900 0.040 0.000 1.262 997 G CA -0.972 44.155 45.100 0.044 0.000 1.029 997 G HN 0.038 nan 8.290 nan 0.000 0.487 998 R N 0.246 120.726 120.500 -0.032 0.000 2.787 998 R HA 0.699 5.040 4.340 0.001 0.000 0.271 998 R C -2.184 174.059 176.300 -0.093 0.000 0.993 998 R CA -1.362 54.660 56.100 -0.129 0.000 0.993 998 R CB 1.330 31.518 30.300 -0.187 0.000 1.155 998 R HN 0.467 nan 8.270 nan 0.000 0.486 999 P HA 0.189 nan 4.420 nan 0.000 0.278 999 P C -1.107 176.089 177.300 -0.173 0.000 1.266 999 P CA -0.440 62.510 63.100 -0.251 0.000 0.807 999 P CB 0.618 32.195 31.700 -0.204 0.000 1.094 1000 H N -0.551 118.505 119.070 -0.024 0.000 2.824 1000 H HA 0.373 4.929 4.556 0.001 0.000 0.345 1000 H C 1.357 176.688 175.328 0.004 0.000 1.252 1000 H CA -0.936 55.098 56.048 -0.023 0.000 1.246 1000 H CB 1.157 30.893 29.762 -0.044 0.000 1.908 1000 H HN 0.272 nan 8.280 nan 0.000 0.601 1001 I N -1.836 118.882 120.570 0.246 0.000 2.113 1001 I HA -0.360 3.811 4.170 0.001 0.000 0.242 1001 I C 2.250 178.491 176.117 0.206 0.000 1.064 1001 I CA 2.176 63.588 61.300 0.187 0.000 1.320 1001 I CB -0.935 37.102 38.000 0.062 0.000 1.028 1001 I HN 0.699 nan 8.210 nan 0.000 0.406 1002 Q N 1.163 121.075 119.800 0.187 0.000 2.096 1002 Q HA -0.252 4.089 4.340 0.001 0.000 0.204 1002 Q C 1.918 178.000 176.000 0.136 0.000 0.982 1002 Q CA 2.298 58.180 55.803 0.132 0.000 0.850 1002 Q CB -0.120 28.620 28.738 0.004 0.000 0.901 1002 Q HN 0.606 nan 8.270 nan 0.000 0.422 1003 D N 0.035 120.572 120.400 0.230 0.000 2.084 1003 D HA -0.152 4.488 4.640 0.001 0.000 0.194 1003 D C 2.053 178.306 176.300 -0.077 0.000 0.990 1003 D CA 1.077 55.073 54.000 -0.007 0.000 0.826 1003 D CB -0.115 40.575 40.800 -0.183 0.000 0.971 1003 D HN 0.321 nan 8.370 nan 0.000 0.453 1004 R N 0.335 120.816 120.500 -0.032 0.000 2.081 1004 R HA -0.055 4.285 4.340 0.001 0.000 0.235 1004 R C 2.614 178.840 176.300 -0.123 0.000 1.131 1004 R CA 0.598 56.621 56.100 -0.129 0.000 0.960 1004 R CB -0.352 29.875 30.300 -0.122 0.000 0.856 1004 R HN 0.251 nan 8.270 nan 0.000 0.436 1005 I N 1.284 121.889 120.570 0.060 0.000 2.179 1005 I HA -0.310 3.861 4.170 0.001 0.000 0.242 1005 I C 2.694 178.675 176.117 -0.226 0.000 1.088 1005 I CA 1.397 62.745 61.300 0.079 0.000 1.357 1005 I CB -0.267 37.806 38.000 0.122 0.000 1.051 1005 I HN 0.145 nan 8.210 nan 0.000 0.409 1006 K N 1.114 121.258 120.400 -0.427 0.000 2.063 1006 K HA -0.251 4.070 4.320 0.001 0.000 0.208 1006 K C 1.634 177.926 176.600 -0.514 0.000 1.048 1006 K CA 2.078 57.811 56.287 -0.925 0.000 0.928 1006 K CB -0.236 31.858 32.500 -0.676 0.000 0.713 1006 K HN 0.124 nan 8.250 nan 0.000 0.442 1007 N N 0.218 118.748 118.700 -0.283 0.000 2.421 1007 N HA 0.036 4.777 4.740 0.001 0.000 0.201 1007 N C -0.069 175.349 175.510 -0.153 0.000 1.198 1007 N CA 0.863 53.800 53.050 -0.189 0.000 0.838 1007 N CB 0.089 38.486 38.487 -0.150 0.000 1.011 1007 N HN 0.491 nan 8.380 nan 0.000 0.463 1008 G N 0.449 109.160 108.800 -0.147 0.000 2.283 1008 G HA2 -0.285 3.675 3.960 0.001 0.000 0.280 1008 G HA3 -0.285 3.675 3.960 0.001 0.000 0.280 1008 G C 0.738 175.575 174.900 -0.106 0.000 1.029 1008 G CA 0.371 45.432 45.100 -0.064 0.000 0.840 1008 G HN 0.476 nan 8.290 nan 0.000 0.505 1009 E N -1.477 118.564 120.200 -0.265 0.000 2.427 1009 E HA 0.035 4.386 4.350 0.001 0.000 0.196 1009 E C 0.062 176.412 176.600 -0.417 0.000 1.028 1009 E CA 0.765 56.909 56.400 -0.427 0.000 0.864 1009 E CB 0.153 29.406 29.700 -0.745 0.000 0.813 1009 E HN 0.687 nan 8.360 nan 0.000 0.514 1010 Y N -0.863 119.467 120.300 0.051 0.000 2.499 1010 Y HA 0.140 4.691 4.550 0.001 0.000 0.347 1010 Y C 1.294 177.267 175.900 0.122 0.000 0.987 1010 Y CA -0.836 57.317 58.100 0.089 0.000 1.044 1010 Y CB 1.763 40.258 38.460 0.058 0.000 1.245 1010 Y HN -0.198 nan 8.280 nan 0.000 0.461 1011 T N -2.578 112.203 114.554 0.378 0.000 2.985 1011 T HA 0.252 4.603 4.350 0.001 0.000 0.254 1011 T C -0.718 174.236 174.700 0.423 0.000 1.021 1011 T CA 0.056 62.346 62.100 0.315 0.000 0.957 1011 T CB -0.014 68.970 68.868 0.193 0.000 1.047 1011 T HN 0.466 nan 8.240 nan 0.000 0.511 1012 Y N 0.315 120.750 120.300 0.224 0.000 2.480 1012 Y HA 0.644 5.195 4.550 0.001 0.000 0.329 1012 Y C -2.351 173.538 175.900 -0.018 0.000 1.127 1012 Y CA -2.533 55.633 58.100 0.111 0.000 1.037 1012 Y CB 1.408 39.864 38.460 -0.006 0.000 1.320 1012 Y HN 0.155 nan 8.280 nan 0.000 0.446 1013 I N 7.005 127.014 120.570 -0.935 0.000 2.569 1013 I HA 0.415 4.586 4.170 0.001 0.000 0.290 1013 I C -1.433 174.134 176.117 -0.916 0.000 1.088 1013 I CA -0.966 59.856 61.300 -0.795 0.000 1.047 1013 I CB 2.187 39.937 38.000 -0.417 0.000 1.237 1013 I HN 0.532 nan 8.210 nan 0.000 0.421 1014 I N 6.948 127.123 120.570 -0.658 0.000 2.390 1014 I HA 0.361 4.531 4.170 0.001 0.000 0.283 1014 I C -0.806 175.186 176.117 -0.209 0.000 1.016 1014 I CA 0.022 61.112 61.300 -0.351 0.000 1.151 1014 I CB 0.649 38.518 38.000 -0.218 0.000 1.293 1014 I HN 0.581 nan 8.210 nan 0.000 0.458 1015 N N 5.563 124.185 118.700 -0.130 0.000 2.576 1015 N HA 0.336 5.076 4.740 0.001 0.000 0.269 1015 N C -1.192 174.294 175.510 -0.040 0.000 1.058 1015 N CA -0.276 52.716 53.050 -0.096 0.000 0.860 1015 N CB 1.119 39.535 38.487 -0.120 0.000 1.249 1015 N HN 0.619 nan 8.380 nan 0.000 0.525 1016 T N 0.468 115.003 114.554 -0.032 0.000 2.859 1016 T HA 0.589 4.940 4.350 0.001 0.000 0.281 1016 T C -0.186 174.504 174.700 -0.017 0.000 1.005 1016 T CA -0.273 61.824 62.100 -0.005 0.000 1.025 1016 T CB 1.858 70.735 68.868 0.014 0.000 0.977 1016 T HN 0.230 nan 8.240 nan 0.000 0.458 1017 T N 1.819 116.364 114.554 -0.015 0.000 2.896 1017 T HA 0.746 5.097 4.350 0.001 0.000 0.297 1017 T C -0.839 173.833 174.700 -0.048 0.000 1.108 1017 T CA -0.794 61.284 62.100 -0.037 0.000 1.004 1017 T CB 1.978 70.821 68.868 -0.041 0.000 1.159 1017 T HN 0.727 nan 8.240 nan 0.000 0.499 1018 S N -0.228 115.413 115.700 -0.099 0.000 2.536 1018 S HA 0.797 5.268 4.470 0.001 0.000 0.271 1018 S C -0.352 174.086 174.600 -0.270 0.000 1.134 1018 S CA 0.314 58.398 58.200 -0.193 0.000 0.897 1018 S CB 1.378 64.427 63.200 -0.251 0.000 1.094 1018 S HN 1.531 nan 8.310 nan 0.000 0.473 1019 G N 2.085 110.676 108.800 -0.348 0.000 2.719 1019 G HA2 -0.126 3.834 3.960 0.001 0.000 0.686 1019 G HA3 -0.126 3.834 3.960 0.001 0.000 0.686 1019 G C -0.056 174.798 174.900 -0.077 0.000 1.201 1019 G CA 0.130 45.080 45.100 -0.249 0.000 0.768 1019 G HN 0.767 nan 8.290 nan 0.000 0.629 1020 R N 0.564 121.058 120.500 -0.010 0.000 2.115 1020 R HA 0.115 4.456 4.340 0.001 0.000 0.226 1020 R C 2.580 178.873 176.300 -0.012 0.000 1.100 1020 R CA 1.786 57.891 56.100 0.008 0.000 0.980 1020 R CB -0.191 30.134 30.300 0.042 0.000 0.875 1020 R HN 0.523 nan 8.270 nan 0.000 0.445 1021 R N -0.064 120.421 120.500 -0.024 0.000 2.055 1021 R HA 0.014 4.354 4.340 0.001 0.000 0.228 1021 R C 2.063 178.337 176.300 -0.043 0.000 1.143 1021 R CA 1.404 57.486 56.100 -0.031 0.000 0.945 1021 R CB -0.568 29.710 30.300 -0.036 0.000 0.841 1021 R HN 0.316 nan 8.270 nan 0.000 0.429 1022 A N 1.265 124.051 122.820 -0.056 0.000 1.958 1022 A HA -0.213 4.107 4.320 0.001 0.000 0.221 1022 A C 2.239 179.793 177.584 -0.050 0.000 1.178 1022 A CA 1.615 53.617 52.037 -0.058 0.000 0.642 1022 A CB -0.619 18.334 19.000 -0.079 0.000 0.816 1022 A HN 0.325 nan 8.150 nan 0.000 0.453 1023 I N -0.544 119.998 120.570 -0.046 0.000 2.163 1023 I HA -0.262 3.909 4.170 0.001 0.000 0.240 1023 I C 2.536 178.631 176.117 -0.037 0.000 1.081 1023 I CA 1.793 63.070 61.300 -0.039 0.000 1.353 1023 I CB -0.429 37.555 38.000 -0.027 0.000 1.054 1023 I HN 0.447 nan 8.210 nan 0.000 0.407 1024 E N 0.628 120.810 120.200 -0.030 0.000 2.118 1024 E HA -0.259 4.092 4.350 0.001 0.000 0.195 1024 E C 1.568 178.148 176.600 -0.034 0.000 0.992 1024 E CA 1.672 58.054 56.400 -0.029 0.000 0.804 1024 E CB -0.244 29.443 29.700 -0.021 0.000 0.741 1024 E HN 0.545 nan 8.360 nan 0.000 0.458 1025 D N 0.271 120.649 120.400 -0.037 0.000 2.183 1025 D HA -0.094 4.546 4.640 0.001 0.000 0.203 1025 D C 1.853 178.134 176.300 -0.032 0.000 0.969 1025 D CA 1.384 55.363 54.000 -0.036 0.000 0.842 1025 D CB -0.000 40.774 40.800 -0.042 0.000 0.957 1025 D HN 0.115 nan 8.370 nan 0.000 0.484 1026 S N -0.130 115.545 115.700 -0.040 0.000 2.603 1026 S HA 0.022 4.493 4.470 0.001 0.000 0.220 1026 S C 1.726 176.283 174.600 -0.073 0.000 0.967 1026 S CA -0.280 57.889 58.200 -0.052 0.000 0.920 1026 S CB 0.060 63.227 63.200 -0.055 0.000 0.773 1026 S HN 0.116 nan 8.310 nan 0.000 0.529 1027 R N 1.283 121.744 120.500 -0.065 0.000 2.133 1027 R HA -0.120 4.221 4.340 0.001 0.000 0.247 1027 R C 2.084 178.327 176.300 -0.094 0.000 1.151 1027 R CA 1.703 57.756 56.100 -0.078 0.000 0.971 1027 R CB -0.847 29.419 30.300 -0.057 0.000 0.866 1027 R HN 0.432 nan 8.270 nan 0.000 0.447 1028 V N 1.092 120.957 119.914 -0.081 0.000 2.407 1028 V HA -0.230 3.891 4.120 0.001 0.000 0.248 1028 V C 2.184 178.218 176.094 -0.099 0.000 1.055 1028 V CA 1.902 64.154 62.300 -0.080 0.000 1.049 1028 V CB -0.197 31.579 31.823 -0.078 0.000 0.662 1028 V HN 0.325 nan 8.190 nan 0.000 0.455 1029 I N -0.231 120.265 120.570 -0.122 0.000 2.179 1029 I HA -0.252 3.919 4.170 0.001 0.000 0.242 1029 I C 2.784 178.745 176.117 -0.259 0.000 1.088 1029 I CA 2.081 63.286 61.300 -0.159 0.000 1.357 1029 I CB -0.523 37.379 38.000 -0.164 0.000 1.051 1029 I HN 0.231 nan 8.210 nan 0.000 0.409 1030 R N 0.486 120.804 120.500 -0.304 0.000 2.066 1030 R HA -0.077 4.263 4.340 0.001 0.000 0.232 1030 R C 2.517 178.572 176.300 -0.408 0.000 1.131 1030 R CA 1.203 57.006 56.100 -0.495 0.000 0.955 1030 R CB -0.351 29.733 30.300 -0.362 0.000 0.851 1030 R HN 0.330 nan 8.270 nan 0.000 0.432 1031 R N 0.273 120.638 120.500 -0.225 0.000 2.091 1031 R HA -0.086 4.254 4.340 0.001 0.000 0.238 1031 R C 2.457 178.693 176.300 -0.107 0.000 1.136 1031 R CA 1.790 57.804 56.100 -0.142 0.000 0.959 1031 R CB -0.315 29.935 30.300 -0.083 0.000 0.856 1031 R HN 0.151 nan 8.270 nan 0.000 0.437 1032 S N 0.987 116.647 115.700 -0.066 0.000 2.348 1032 S HA -0.162 4.309 4.470 0.001 0.000 0.221 1032 S C 2.189 176.838 174.600 0.083 0.000 1.033 1032 S CA 1.256 59.502 58.200 0.077 0.000 1.010 1032 S CB -0.335 62.929 63.200 0.107 0.000 0.891 1032 S HN 0.493 nan 8.310 nan 0.000 0.442 1033 A N 1.467 124.220 122.820 -0.112 0.000 1.917 1033 A HA -0.135 4.185 4.320 0.001 0.000 0.219 1033 A C 2.169 179.735 177.584 -0.029 0.000 1.182 1033 A CA 1.716 53.672 52.037 -0.134 0.000 0.633 1033 A CB -0.843 17.865 19.000 -0.487 0.000 0.819 1033 A HN 0.405 nan 8.150 nan 0.000 0.448 1034 L N -0.265 120.887 121.223 -0.118 0.000 1.994 1034 L HA -0.213 4.128 4.340 0.001 0.000 0.208 1034 L C 2.666 179.535 176.870 -0.003 0.000 1.071 1034 L CA 2.749 57.615 54.840 0.043 0.000 0.745 1034 L CB -0.722 41.361 42.059 0.040 0.000 0.892 1034 L HN 0.635 nan 8.230 nan 0.000 0.431 1035 Q N -1.631 118.103 119.800 -0.110 0.000 2.170 1035 Q HA -0.248 4.092 4.340 0.001 0.000 0.203 1035 Q C 1.395 177.112 176.000 -0.472 0.000 0.976 1035 Q CA 1.963 57.580 55.803 -0.310 0.000 0.858 1035 Q CB -0.264 28.212 28.738 -0.438 0.000 0.907 1035 Q HN 0.685 nan 8.270 nan 0.000 0.433 1036 Y N 0.393 120.712 120.300 0.032 0.000 2.468 1036 Y HA 0.174 4.725 4.550 0.001 0.000 0.268 1036 Y C -0.042 175.901 175.900 0.073 0.000 1.177 1036 Y CA -0.146 57.984 58.100 0.048 0.000 1.265 1036 Y CB 0.775 39.264 38.460 0.049 0.000 1.103 1036 Y HN -0.019 nan 8.280 nan 0.000 0.522 1037 K N -1.238 119.250 120.400 0.146 0.000 3.192 1037 K HA -0.145 4.175 4.320 0.001 0.000 0.278 1037 K C -0.742 175.980 176.600 0.204 0.000 1.164 1037 K CA 0.364 56.745 56.287 0.158 0.000 0.816 1037 K CB -2.558 30.017 32.500 0.127 0.000 1.256 1037 K HN 0.135 nan 8.250 nan 0.000 0.497 1038 V N 1.609 121.659 119.914 0.226 0.000 2.432 1038 V HA 0.119 4.239 4.120 0.001 0.000 0.275 1038 V C 0.795 177.066 176.094 0.295 0.000 1.043 1038 V CA -0.723 61.725 62.300 0.246 0.000 0.925 1038 V CB 1.126 33.077 31.823 0.213 0.000 0.985 1038 V HN 0.334 nan 8.190 nan 0.000 0.466 1039 H N 5.450 124.669 119.070 0.249 0.000 3.004 1039 H HA 0.280 4.837 4.556 0.001 0.000 0.316 1039 H C -0.668 174.838 175.328 0.296 0.000 1.014 1039 H CA 0.237 56.440 56.048 0.257 0.000 1.454 1039 H CB 0.065 29.977 29.762 0.249 0.000 1.472 1039 H HN 0.673 nan 8.280 nan 0.000 0.571 1040 Y N 1.960 121.856 120.300 -0.675 0.000 2.492 1040 Y HA 0.452 5.002 4.550 0.001 0.000 0.346 1040 Y C -1.513 174.110 175.900 -0.462 0.000 0.997 1040 Y CA -1.341 56.441 58.100 -0.530 0.000 1.025 1040 Y CB 1.451 39.720 38.460 -0.318 0.000 1.263 1040 Y HN 0.429 nan 8.280 nan 0.000 0.454 1041 D N 2.041 122.309 120.400 -0.220 0.000 2.256 1041 D HA 0.221 4.862 4.640 0.001 0.000 0.246 1041 D C 0.366 176.674 176.300 0.013 0.000 1.042 1041 D CA -0.364 53.586 54.000 -0.083 0.000 0.841 1041 D CB 2.165 43.031 40.800 0.110 0.000 1.223 1041 D HN 0.820 nan 8.370 nan 0.000 0.470 1042 T N -2.558 112.018 114.554 0.037 0.000 3.105 1042 T HA 0.146 4.497 4.350 0.001 0.000 0.253 1042 T C 0.620 175.362 174.700 0.070 0.000 1.047 1042 T CA -0.163 61.983 62.100 0.077 0.000 0.944 1042 T CB -0.138 68.800 68.868 0.115 0.000 1.016 1042 T HN 0.422 nan 8.240 nan 0.000 0.544 1043 T N -1.013 113.588 114.554 0.077 0.000 2.909 1043 T HA 0.611 4.962 4.350 0.001 0.000 0.299 1043 T C 0.575 175.334 174.700 0.100 0.000 1.073 1043 T CA -0.890 61.269 62.100 0.099 0.000 0.999 1043 T CB 1.773 70.718 68.868 0.128 0.000 1.098 1043 T HN -0.090 nan 8.240 nan 0.000 0.477 1044 L N 2.190 123.481 121.223 0.113 0.000 2.083 1044 L HA 0.044 4.385 4.340 0.001 0.000 0.209 1044 L C 2.211 179.223 176.870 0.237 0.000 1.083 1044 L CA 1.715 56.632 54.840 0.129 0.000 0.752 1044 L CB -0.921 41.243 42.059 0.176 0.000 0.899 1044 L HN 0.708 nan 8.230 nan 0.000 0.433 1045 N N -0.275 118.577 118.700 0.252 0.000 2.149 1045 N HA -0.140 4.601 4.740 0.001 0.000 0.188 1045 N C 1.810 177.452 175.510 0.220 0.000 1.019 1045 N CA 1.361 54.578 53.050 0.278 0.000 0.857 1045 N CB -0.839 37.776 38.487 0.214 0.000 0.997 1045 N HN 0.452 nan 8.380 nan 0.000 0.426 1046 G N 0.033 108.936 108.800 0.173 0.000 2.446 1046 G HA2 -0.196 3.764 3.960 0.001 0.000 0.217 1046 G HA3 -0.196 3.764 3.960 0.001 0.000 0.217 1046 G C 1.640 176.613 174.900 0.121 0.000 1.168 1046 G CA 1.145 46.341 45.100 0.160 0.000 0.771 1046 G HN 0.438 nan 8.290 nan 0.000 0.551 1047 G N 0.376 109.231 108.800 0.090 0.000 2.440 1047 G HA2 -0.180 3.781 3.960 0.001 0.000 0.218 1047 G HA3 -0.180 3.781 3.960 0.001 0.000 0.218 1047 G C 1.614 176.431 174.900 -0.138 0.000 1.154 1047 G CA 0.827 45.929 45.100 0.004 0.000 0.767 1047 G HN 0.335 nan 8.290 nan 0.000 0.552 1048 F N 1.751 121.706 119.950 0.009 0.000 2.216 1048 F HA 0.057 4.584 4.527 0.001 0.000 0.300 1048 F C 2.980 178.730 175.800 -0.084 0.000 1.085 1048 F CA 0.840 58.826 58.000 -0.022 0.000 1.326 1048 F CB -0.324 38.676 39.000 -0.000 0.000 1.027 1048 F HN 0.252 nan 8.300 nan 0.000 0.497 1049 A N -0.711 122.096 122.820 -0.022 0.000 1.873 1049 A HA -0.158 4.163 4.320 0.001 0.000 0.215 1049 A C 2.276 179.576 177.584 -0.474 0.000 1.186 1049 A CA 2.196 53.962 52.037 -0.453 0.000 0.616 1049 A CB -1.285 17.081 19.000 -1.058 0.000 0.823 1049 A HN 0.308 nan 8.150 nan 0.000 0.442 1050 T N 0.267 114.705 114.554 -0.194 0.000 2.746 1050 T HA -0.052 4.299 4.350 0.001 0.000 0.267 1050 T C 2.223 176.848 174.700 -0.125 0.000 1.039 1050 T CA 1.680 63.763 62.100 -0.028 0.000 1.142 1050 T CB -0.480 68.379 68.868 -0.017 0.000 0.866 1050 T HN 0.598 nan 8.240 nan 0.000 0.444 1051 A N 1.666 124.396 122.820 -0.150 0.000 1.865 1051 A HA -0.133 4.188 4.320 0.001 0.000 0.217 1051 A C 2.372 179.937 177.584 -0.031 0.000 1.191 1051 A CA 1.763 53.726 52.037 -0.124 0.000 0.623 1051 A CB -0.740 18.210 19.000 -0.084 0.000 0.826 1051 A HN 0.441 nan 8.150 nan 0.000 0.444 1052 M N -0.664 118.943 119.600 0.011 0.000 2.082 1052 M HA -0.233 4.247 4.480 0.001 0.000 0.258 1052 M C 2.530 178.843 176.300 0.022 0.000 1.069 1052 M CA 1.718 57.047 55.300 0.047 0.000 1.102 1052 M CB -0.689 31.972 32.600 0.102 0.000 1.336 1052 M HN 0.512 nan 8.290 nan 0.000 0.404 1053 A N 0.272 123.095 122.820 0.004 0.000 2.076 1053 A HA -0.130 4.190 4.320 0.001 0.000 0.220 1053 A C 2.074 179.657 177.584 -0.001 0.000 1.160 1053 A CA 1.208 53.257 52.037 0.019 0.000 0.653 1053 A CB -0.967 18.107 19.000 0.124 0.000 0.801 1053 A HN 0.489 nan 8.150 nan 0.000 0.455 1054 L N -0.718 120.502 121.223 -0.005 0.000 2.261 1054 L HA -0.214 4.126 4.340 0.001 0.000 0.216 1054 L C 1.787 178.670 176.870 0.022 0.000 1.114 1054 L CA 1.437 56.284 54.840 0.012 0.000 0.777 1054 L CB -0.492 41.587 42.059 0.033 0.000 0.910 1054 L HN 0.510 nan 8.230 nan 0.000 0.440 1055 N N -0.703 118.010 118.700 0.021 0.000 2.461 1055 N HA 0.102 4.842 4.740 0.001 0.000 0.188 1055 N C 0.363 175.879 175.510 0.010 0.000 1.134 1055 N CA 0.047 53.111 53.050 0.023 0.000 0.878 1055 N CB 0.276 38.783 38.487 0.033 0.000 0.972 1055 N HN 0.254 nan 8.380 nan 0.000 0.456 1056 A N 0.200 123.018 122.820 -0.004 0.000 2.313 1056 A HA 0.467 4.788 4.320 0.001 0.000 0.323 1056 A C -1.151 176.412 177.584 -0.036 0.000 1.133 1056 A CA -0.493 51.533 52.037 -0.018 0.000 0.847 1056 A CB 1.126 20.110 19.000 -0.027 0.000 1.308 1056 A HN 0.022 nan 8.150 nan 0.000 0.475 1057 D N -0.089 120.283 120.400 -0.047 0.000 2.408 1057 D HA 0.540 5.181 4.640 0.001 0.000 0.261 1057 D C 0.887 177.133 176.300 -0.091 0.000 1.190 1057 D CA 0.277 54.234 54.000 -0.070 0.000 0.910 1057 D CB 1.064 41.824 40.800 -0.066 0.000 1.097 1057 D HN 0.520 nan 8.370 nan 0.000 0.522 1058 A N 2.338 125.087 122.820 -0.118 0.000 1.986 1058 A HA -0.199 4.122 4.320 0.001 0.000 0.220 1058 A C 2.001 179.496 177.584 -0.148 0.000 1.171 1058 A CA 2.333 54.289 52.037 -0.135 0.000 0.640 1058 A CB -0.718 18.183 19.000 -0.165 0.000 0.811 1058 A HN 0.585 nan 8.150 nan 0.000 0.451 1059 T N -2.809 111.641 114.554 -0.173 0.000 3.088 1059 T HA 0.028 4.378 4.350 0.001 0.000 0.259 1059 T C 1.529 176.145 174.700 -0.140 0.000 1.122 1059 T CA 1.092 63.081 62.100 -0.186 0.000 1.095 1059 T CB -0.108 68.621 68.868 -0.233 0.000 0.930 1059 T HN 0.638 nan 8.240 nan 0.000 0.508 1060 E N 1.800 121.936 120.200 -0.107 0.000 2.077 1060 E HA -0.114 4.237 4.350 0.001 0.000 0.193 1060 E C 0.728 177.287 176.600 -0.067 0.000 0.989 1060 E CA 0.800 57.154 56.400 -0.077 0.000 0.800 1060 E CB 0.118 29.785 29.700 -0.055 0.000 0.746 1060 E HN 0.679 nan 8.360 nan 0.000 0.452 1061 K N 0.075 120.435 120.400 -0.067 0.000 2.535 1061 K HA 0.285 4.605 4.320 0.001 0.000 0.251 1061 K C -1.146 175.422 176.600 -0.053 0.000 0.942 1061 K CA -0.722 55.534 56.287 -0.051 0.000 0.798 1061 K CB 2.094 34.579 32.500 -0.025 0.000 1.267 1061 K HN -0.012 nan 8.250 nan 0.000 0.434 1062 V N 1.908 121.791 119.914 -0.052 0.000 2.667 1062 V HA 0.749 4.870 4.120 0.001 0.000 0.308 1062 V C -0.395 175.763 176.094 0.108 0.000 1.048 1062 V CA -0.786 61.500 62.300 -0.023 0.000 0.928 1062 V CB 1.517 33.231 31.823 -0.181 0.000 1.004 1062 V HN 0.875 nan 8.190 nan 0.000 0.444 1063 I N 2.777 123.476 120.570 0.215 0.000 2.752 1063 I HA 0.511 4.682 4.170 0.001 0.000 0.295 1063 I C 0.039 176.151 176.117 -0.009 0.000 1.219 1063 I CA -0.142 61.242 61.300 0.140 0.000 1.030 1063 I CB 2.730 40.714 38.000 -0.027 0.000 1.259 1063 I HN 1.101 nan 8.210 nan 0.000 0.423 1064 S N 4.808 120.301 115.700 -0.345 0.000 2.632 1064 S HA 0.302 4.772 4.470 0.001 0.000 0.271 1064 S C 0.922 175.254 174.600 -0.446 0.000 1.260 1064 S CA -0.611 57.143 58.200 -0.744 0.000 1.010 1064 S CB 1.845 64.572 63.200 -0.788 0.000 0.965 1064 S HN 0.434 nan 8.310 nan 0.000 0.534 1065 V N 2.593 122.237 119.914 -0.450 0.000 2.407 1065 V HA -0.177 3.943 4.120 0.001 0.000 0.248 1065 V C 2.665 178.474 176.094 -0.474 0.000 1.055 1065 V CA 2.097 64.115 62.300 -0.470 0.000 1.049 1065 V CB -1.333 30.242 31.823 -0.413 0.000 0.662 1065 V HN 0.861 nan 8.190 nan 0.000 0.455 1066 Q N 0.304 119.917 119.800 -0.312 0.000 2.050 1066 Q HA -0.211 4.130 4.340 0.001 0.000 0.202 1066 Q C 2.204 178.132 176.000 -0.119 0.000 0.980 1066 Q CA 1.944 57.643 55.803 -0.174 0.000 0.840 1066 Q CB -0.341 28.323 28.738 -0.124 0.000 0.898 1066 Q HN 0.700 nan 8.270 nan 0.000 0.424 1067 E N 0.022 120.133 120.200 -0.149 0.000 2.110 1067 E HA -0.167 4.183 4.350 0.001 0.000 0.193 1067 E C 1.922 178.493 176.600 -0.049 0.000 0.988 1067 E CA 1.231 57.583 56.400 -0.080 0.000 0.804 1067 E CB -0.150 29.502 29.700 -0.081 0.000 0.745 1067 E HN 0.377 nan 8.360 nan 0.000 0.458 1068 M N -0.280 119.237 119.600 -0.138 0.000 2.117 1068 M HA -0.146 4.335 4.480 0.001 0.000 0.262 1068 M C 1.941 178.373 176.300 0.220 0.000 1.065 1068 M CA 1.572 56.830 55.300 -0.069 0.000 1.114 1068 M CB -0.410 31.969 32.600 -0.368 0.000 1.361 1068 M HN 0.219 nan 8.290 nan 0.000 0.408 1069 H N -0.415 118.687 119.070 0.053 0.000 2.423 1069 H HA 0.012 4.568 4.556 0.001 0.000 0.297 1069 H C 2.214 177.573 175.328 0.052 0.000 1.075 1069 H CA 0.648 56.736 56.048 0.067 0.000 1.342 1069 H CB 0.044 29.825 29.762 0.030 0.000 1.395 1069 H HN 0.453 nan 8.280 nan 0.000 0.530 1070 A N 1.004 123.914 122.820 0.149 0.000 1.969 1070 A HA -0.172 4.149 4.320 0.001 0.000 0.218 1070 A C 2.072 179.706 177.584 0.083 0.000 1.169 1070 A CA 1.090 53.179 52.037 0.088 0.000 0.635 1070 A CB -0.245 18.785 19.000 0.051 0.000 0.810 1070 A HN 0.438 nan 8.150 nan 0.000 0.445 1071 Q N -0.414 119.456 119.800 0.117 0.000 2.500 1071 Q HA 0.062 4.403 4.340 0.001 0.000 0.213 1071 Q C -0.231 175.812 176.000 0.071 0.000 0.974 1071 Q CA 0.156 56.024 55.803 0.108 0.000 0.918 1071 Q CB -0.201 28.645 28.738 0.178 0.000 0.980 1071 Q HN 0.663 nan 8.270 nan 0.000 0.505 1072 I N 1.809 122.422 120.570 0.072 0.000 2.396 1072 I HA 0.076 4.246 4.170 0.001 0.000 0.289 1072 I C 0.253 176.366 176.117 -0.007 0.000 1.056 1072 I CA -0.328 60.977 61.300 0.009 0.000 1.365 1072 I CB 0.649 38.645 38.000 -0.008 0.000 1.407 1072 I HN -0.166 nan 8.210 nan 0.000 0.509 1073 K N 0.000 120.384 120.400 -0.027 0.000 2.780 1073 K HA 0.000 4.321 4.320 0.001 0.000 0.191 1073 K CA 0.000 56.273 56.287 -0.023 0.000 0.838 1073 K CB 0.000 32.486 32.500 -0.024 0.000 1.064 1073 K HN 0.000 nan 8.250 nan 0.000 0.543