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 1v3l_1_A DATA FIRST_RESID 1 DATA SEQUENCE APDTSVSNKQ NFSTDVIYQI FTDRFSDGNP ANNPTGAAFD GScTNLRLYc DATA SEQUENCE GGDWQGIINK INDGYLTGMG ITAIWISQPV ENIYSVINYS GVNNTAYHGY DATA SEQUENCE WARDFKKTNP AYGTMQDFKN LIDTAHAHNI KVIIDFAPNH TSPASSDDPS DATA SEQUENCE FAENGRLYDN GNLLGGYTND TQNLFHHYGG TDFSTIENGI YKNLYDLADL DATA SEQUENCE NHNNSSVDVY LKDAIKMWLD LGVDGIRVDA VKHMPFGWQK SFMATINNYK DATA SEQUENCE PVFTFGEWFL GVNEISPEYH QFANESGMSL LDLRFAQKAR QVFRDNTDNM DATA SEQUENCE YGLKAMLEGS EVDYAQVNDQ VTFIDNHDME RFHTSNGDRR KLEQALAFTL DATA SEQUENCE TSRGVPAIYY GSEQYMSGGN DPDNRARLPS FSTTTTAYQV IQKLAPLRKS DATA SEQUENCE NPAIAYGSTH ERWINNDVII YERKFGNNVA VVAINRNMNT PASITGLVTS DATA SEQUENCE LPRGSYNDVL GGILNGNTLT VGAGGAASNF TLAPGGTAVW QYTTDATTPI DATA SEQUENCE IGNVGPMMAK PGVTITIDGR GFGSGKGTVY FGTTAVTGAD IVAWEDTQIQ DATA SEQUENCE VKIPAVPGGI YDIRVANAAG AASNIYDNFE VLTGDQVTVR FVINNATTAL DATA SEQUENCE GQNVFLTGNV SELGNWDPNN AIGPMYNQVV YQYPTWYYDV SVPAGQTIEF DATA SEQUENCE KFLKKQGSTV TWEGGANRTF TTPTSGTATV NVNWQP 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.562 177.584 -0.036 0.000 1.274 1 A CA 0.000 52.017 52.037 -0.034 0.000 0.836 1 A CB 0.000 18.970 19.000 -0.051 0.000 0.831 2 P HA 0.227 nan 4.420 nan 0.000 0.274 2 P C -0.001 177.265 177.300 -0.058 0.000 1.256 2 P CA 0.167 63.239 63.100 -0.046 0.000 0.795 2 P CB 0.626 32.297 31.700 -0.048 0.000 1.038 3 D N -0.187 120.184 120.400 -0.049 0.000 2.221 3 D HA -0.150 4.489 4.640 -0.001 0.000 0.204 3 D C 1.108 177.357 176.300 -0.085 0.000 0.982 3 D CA 1.973 55.947 54.000 -0.044 0.000 0.857 3 D CB -1.242 39.566 40.800 0.014 0.000 0.934 3 D HN 0.451 nan 8.370 nan 0.000 0.475 4 T N -2.815 111.679 114.554 -0.100 0.000 3.081 4 T HA 0.079 4.428 4.350 -0.001 0.000 0.250 4 T C 1.055 175.666 174.700 -0.148 0.000 1.100 4 T CA -0.098 61.919 62.100 -0.140 0.000 1.038 4 T CB -0.136 68.657 68.868 -0.126 0.000 0.962 4 T HN 0.132 nan 8.240 nan 0.000 0.516 5 S N 0.591 116.214 115.700 -0.128 0.000 2.563 5 S HA 0.124 4.594 4.470 -0.001 0.000 0.284 5 S C 1.533 176.031 174.600 -0.170 0.000 1.331 5 S CA -0.254 57.869 58.200 -0.129 0.000 1.047 5 S CB 1.021 64.157 63.200 -0.106 0.000 0.859 5 S HN 0.226 nan 8.310 nan 0.000 0.514 6 V N 4.753 124.565 119.914 -0.170 0.000 2.469 6 V HA -0.101 4.019 4.120 -0.001 0.000 0.251 6 V C 2.215 178.159 176.094 -0.250 0.000 1.064 6 V CA 2.622 64.796 62.300 -0.210 0.000 1.066 6 V CB -0.802 30.915 31.823 -0.176 0.000 0.667 6 V HN 0.984 nan 8.190 nan 0.000 0.461 7 S N 0.555 116.131 115.700 -0.207 0.000 2.469 7 S HA -0.104 4.365 4.470 -0.001 0.000 0.238 7 S C 1.156 175.673 174.600 -0.138 0.000 0.998 7 S CA 0.761 58.856 58.200 -0.176 0.000 0.957 7 S CB -0.577 62.548 63.200 -0.126 0.000 0.764 7 S HN 0.717 nan 8.310 nan 0.000 0.514 8 N N 1.949 120.555 118.700 -0.156 0.000 2.508 8 N HA 0.117 4.857 4.740 -0.001 0.000 0.253 8 N C 0.412 175.847 175.510 -0.125 0.000 1.145 8 N CA 0.050 53.023 53.050 -0.129 0.000 0.973 8 N CB 0.343 38.739 38.487 -0.150 0.000 1.305 8 N HN 0.224 nan 8.380 nan 0.000 0.506 9 K N 1.795 122.192 120.400 -0.005 0.000 2.366 9 K HA -0.026 4.294 4.320 -0.001 0.000 0.198 9 K C 1.038 177.814 176.600 0.293 0.000 1.044 9 K CA 0.758 57.145 56.287 0.166 0.000 0.973 9 K CB 0.439 33.026 32.500 0.145 0.000 0.767 9 K HN 0.408 nan 8.250 nan 0.000 0.475 10 Q N 0.466 120.363 119.800 0.161 0.000 2.212 10 Q HA 0.043 4.383 4.340 -0.001 0.000 0.199 10 Q C -0.210 175.928 176.000 0.230 0.000 0.950 10 Q CA 0.938 56.858 55.803 0.196 0.000 0.863 10 Q CB 0.280 29.079 28.738 0.103 0.000 0.944 10 Q HN 0.245 nan 8.270 nan 0.000 0.465 11 N N -1.044 117.723 118.700 0.111 0.000 2.258 11 N HA 0.370 5.110 4.740 -0.001 0.000 0.299 11 N C -1.161 174.281 175.510 -0.114 0.000 1.047 11 N CA -0.376 52.682 53.050 0.013 0.000 0.814 11 N CB 1.163 39.646 38.487 -0.007 0.000 1.413 11 N HN -0.088 nan 8.380 nan 0.000 0.478 12 F N 0.116 119.730 119.950 -0.561 0.000 2.724 12 F HA 0.157 4.683 4.527 -0.001 0.000 0.310 12 F C 1.823 177.353 175.800 -0.450 0.000 1.107 12 F CA -0.325 57.340 58.000 -0.558 0.000 1.218 12 F CB 0.336 38.804 39.000 -0.888 0.000 1.042 12 F HN 0.489 nan 8.300 nan 0.000 0.540 13 S N -1.526 114.016 115.700 -0.263 0.000 2.481 13 S HA -0.130 4.340 4.470 -0.001 0.000 0.231 13 S C 1.848 176.228 174.600 -0.367 0.000 0.996 13 S CA 1.207 59.234 58.200 -0.288 0.000 0.942 13 S CB -1.039 62.014 63.200 -0.245 0.000 0.768 13 S HN 0.394 nan 8.310 nan 0.000 0.520 14 T N -0.927 113.396 114.554 -0.386 0.000 3.194 14 T HA 0.175 4.525 4.350 -0.001 0.000 0.251 14 T C 0.031 174.565 174.700 -0.276 0.000 1.132 14 T CA -0.289 61.588 62.100 -0.373 0.000 1.028 14 T CB -0.280 68.379 68.868 -0.349 0.000 0.976 14 T HN 0.272 nan 8.240 nan 0.000 0.535 15 D N 0.647 120.900 120.400 -0.246 0.000 2.340 15 D HA 0.543 5.182 4.640 -0.001 0.000 0.243 15 D C -0.912 175.333 176.300 -0.092 0.000 0.988 15 D CA -0.517 53.380 54.000 -0.170 0.000 0.959 15 D CB 2.655 43.348 40.800 -0.179 0.000 1.226 15 D HN 0.021 nan 8.370 nan 0.000 0.509 16 V N 1.765 121.657 119.914 -0.037 0.000 2.487 16 V HA 0.362 4.481 4.120 -0.001 0.000 0.298 16 V C 0.110 176.268 176.094 0.106 0.000 1.028 16 V CA -0.697 61.612 62.300 0.015 0.000 0.860 16 V CB 1.696 33.512 31.823 -0.012 0.000 0.991 16 V HN 0.366 nan 8.190 nan 0.000 0.427 17 I N 4.563 125.237 120.570 0.173 0.000 2.353 17 I HA 0.363 4.532 4.170 -0.001 0.000 0.293 17 I C -0.898 175.423 176.117 0.339 0.000 0.992 17 I CA -0.555 60.916 61.300 0.285 0.000 1.268 17 I CB 1.131 39.328 38.000 0.330 0.000 1.387 17 I HN 0.619 nan 8.210 nan 0.000 0.478 18 Y N 6.224 126.640 120.300 0.193 0.000 2.342 18 Y HA 0.253 4.802 4.550 -0.001 0.000 0.338 18 Y C 0.088 176.109 175.900 0.201 0.000 0.965 18 Y CA -0.486 57.712 58.100 0.165 0.000 1.159 18 Y CB 0.997 39.506 38.460 0.081 0.000 1.157 18 Y HN 0.506 nan 8.280 nan 0.000 0.486 19 Q N 7.241 127.019 119.800 -0.037 0.000 2.314 19 Q HA 0.397 4.737 4.340 -0.001 0.000 0.257 19 Q C -1.349 174.534 176.000 -0.195 0.000 0.975 19 Q CA -0.257 55.465 55.803 -0.136 0.000 0.933 19 Q CB 0.535 29.106 28.738 -0.279 0.000 1.195 19 Q HN 0.752 nan 8.270 nan 0.000 0.426 20 I N 4.525 124.952 120.570 -0.239 0.000 2.362 20 I HA 0.229 4.398 4.170 -0.001 0.000 0.289 20 I C -0.641 175.280 176.117 -0.328 0.000 0.994 20 I CA -0.755 60.353 61.300 -0.319 0.000 1.158 20 I CB 1.118 38.933 38.000 -0.309 0.000 1.315 20 I HN 0.623 nan 8.210 nan 0.000 0.451 21 F N 5.247 124.820 119.950 -0.628 0.000 2.439 21 F HA 0.069 4.596 4.527 -0.001 0.000 0.356 21 F C 1.818 177.387 175.800 -0.385 0.000 1.161 21 F CA 0.111 57.855 58.000 -0.426 0.000 1.151 21 F CB 0.833 39.628 39.000 -0.342 0.000 1.222 21 F HN 0.565 nan 8.300 nan 0.000 0.558 22 T N 1.195 115.552 114.554 -0.328 0.000 2.680 22 T HA -0.338 4.011 4.350 -0.001 0.000 0.268 22 T C 1.622 176.246 174.700 -0.125 0.000 1.033 22 T CA 2.101 64.015 62.100 -0.309 0.000 1.152 22 T CB -0.239 68.147 68.868 -0.802 0.000 0.859 22 T HN 0.613 nan 8.240 nan 0.000 0.452 23 D N 0.112 120.493 120.400 -0.032 0.000 2.312 23 D HA -0.052 4.588 4.640 -0.001 0.000 0.211 23 D C 1.866 178.242 176.300 0.126 0.000 0.964 23 D CA 0.592 54.683 54.000 0.150 0.000 0.877 23 D CB 0.191 41.156 40.800 0.275 0.000 0.924 23 D HN 0.091 nan 8.370 nan 0.000 0.515 24 R N -0.763 119.783 120.500 0.077 0.000 2.509 24 R HA 0.146 4.486 4.340 -0.001 0.000 0.300 24 R C 0.438 176.820 176.300 0.137 0.000 0.985 24 R CA -0.156 55.982 56.100 0.064 0.000 1.092 24 R CB -0.176 30.139 30.300 0.026 0.000 1.237 24 R HN 0.260 nan 8.270 nan 0.000 0.546 25 F N 0.128 120.075 119.950 -0.005 0.000 2.478 25 F HA 0.355 4.881 4.527 -0.001 0.000 0.260 25 F C 0.155 176.088 175.800 0.222 0.000 0.974 25 F CA 0.111 58.188 58.000 0.128 0.000 1.075 25 F CB 0.361 39.420 39.000 0.098 0.000 1.165 25 F HN -0.208 nan 8.300 nan 0.000 0.692 26 S N 0.016 115.784 115.700 0.114 0.000 2.603 26 S HA 0.237 4.706 4.470 -0.001 0.000 0.274 26 S C -1.851 172.791 174.600 0.070 0.000 1.168 26 S CA -0.748 57.447 58.200 -0.007 0.000 0.963 26 S CB 0.910 63.974 63.200 -0.227 0.000 1.078 26 S HN 0.269 nan 8.310 nan 0.000 0.477 27 D N 3.547 123.983 120.400 0.061 0.000 2.470 27 D HA 0.363 5.002 4.640 -0.001 0.000 0.226 27 D C 1.199 177.524 176.300 0.041 0.000 1.196 27 D CA 0.017 54.063 54.000 0.077 0.000 0.979 27 D CB 0.311 41.175 40.800 0.107 0.000 1.059 27 D HN 0.703 nan 8.370 nan 0.000 0.515 28 G N 2.884 111.709 108.800 0.042 0.000 2.880 28 G HA2 -0.113 3.846 3.960 -0.001 0.000 0.209 28 G HA3 -0.113 3.846 3.960 -0.001 0.000 0.209 28 G C 0.649 175.566 174.900 0.029 0.000 1.157 28 G CA -0.249 44.866 45.100 0.025 0.000 0.779 28 G HN 0.436 nan 8.290 nan 0.000 0.539 29 N N -0.308 118.412 118.700 0.033 0.000 2.581 29 N HA 0.272 5.012 4.740 -0.001 0.000 0.279 29 N C -2.062 173.448 175.510 -0.000 0.000 1.124 29 N CA -1.921 51.140 53.050 0.018 0.000 0.833 29 N CB 2.593 41.096 38.487 0.026 0.000 1.338 29 N HN -0.177 nan 8.380 nan 0.000 0.533 30 P HA -0.010 nan 4.420 nan 0.000 0.225 30 P C 0.962 178.209 177.300 -0.088 0.000 1.156 30 P CA 0.520 63.597 63.100 -0.038 0.000 0.787 30 P CB 0.344 32.035 31.700 -0.016 0.000 0.802 31 A N 1.854 124.635 122.820 -0.064 0.000 2.024 31 A HA -0.205 4.115 4.320 -0.001 0.000 0.220 31 A C 1.820 179.343 177.584 -0.102 0.000 1.164 31 A CA 2.021 54.012 52.037 -0.077 0.000 0.643 31 A CB -1.526 17.447 19.000 -0.045 0.000 0.806 31 A HN 0.355 nan 8.150 nan 0.000 0.451 32 N N -0.024 118.619 118.700 -0.094 0.000 2.383 32 N HA 0.002 4.741 4.740 -0.001 0.000 0.192 32 N C -0.604 174.797 175.510 -0.181 0.000 1.141 32 N CA -0.185 52.797 53.050 -0.114 0.000 0.851 32 N CB -0.626 37.815 38.487 -0.076 0.000 0.976 32 N HN 0.221 nan 8.380 nan 0.000 0.465 33 N N 2.132 120.680 118.700 -0.253 0.000 2.513 33 N HA 0.229 4.968 4.740 -0.001 0.000 0.268 33 N C -2.339 172.880 175.510 -0.485 0.000 1.180 33 N CA -1.209 51.588 53.050 -0.422 0.000 0.948 33 N CB 0.226 38.247 38.487 -0.776 0.000 1.083 33 N HN 0.185 nan 8.380 nan 0.000 0.455 34 P HA -0.011 nan 4.420 nan 0.000 0.267 34 P C 0.059 177.170 177.300 -0.316 0.000 1.201 34 P CA 0.154 63.051 63.100 -0.339 0.000 0.775 34 P CB 0.423 31.890 31.700 -0.388 0.000 0.854 35 T N -1.331 113.125 114.554 -0.162 0.000 2.905 35 T HA 0.709 5.058 4.350 -0.001 0.000 0.283 35 T C 0.580 175.300 174.700 0.033 0.000 1.031 35 T CA -0.044 61.999 62.100 -0.095 0.000 1.002 35 T CB 1.277 70.076 68.868 -0.114 0.000 1.200 35 T HN 0.725 nan 8.240 nan 0.000 0.560 36 G N 0.695 109.532 108.800 0.062 0.000 2.528 36 G HA2 0.022 3.981 3.960 -0.001 0.000 0.262 36 G HA3 0.022 3.981 3.960 -0.001 0.000 0.262 36 G C 1.102 176.066 174.900 0.107 0.000 1.200 36 G CA 0.574 45.715 45.100 0.069 0.000 0.951 36 G HN 1.774 nan 8.290 nan 0.000 0.566 37 A N -0.402 122.470 122.820 0.085 0.000 2.121 37 A HA 0.430 4.749 4.320 -0.001 0.000 0.218 37 A C 2.725 180.383 177.584 0.123 0.000 1.154 37 A CA 2.716 54.806 52.037 0.089 0.000 0.679 37 A CB -0.675 18.366 19.000 0.068 0.000 0.795 37 A HN 2.254 nan 8.150 nan 0.000 0.458 38 A N -1.927 120.991 122.820 0.163 0.000 2.123 38 A HA 0.420 4.740 4.320 -0.001 0.000 0.214 38 A C 0.462 178.246 177.584 0.334 0.000 1.152 38 A CA 0.249 52.429 52.037 0.238 0.000 0.728 38 A CB -0.190 18.941 19.000 0.218 0.000 0.814 38 A HN 0.463 nan 8.150 nan 0.000 0.464 39 F N -0.314 119.689 119.950 0.088 0.000 2.522 39 F HA 0.594 5.121 4.527 -0.001 0.000 0.324 39 F C -1.280 174.552 175.800 0.054 0.000 1.077 39 F CA -1.675 56.374 58.000 0.083 0.000 0.944 39 F CB 1.863 40.884 39.000 0.035 0.000 1.175 39 F HN -0.027 nan 8.300 nan 0.000 0.468 40 D N 2.971 122.943 120.400 -0.713 0.000 2.330 40 D HA 0.248 4.887 4.640 -0.001 0.000 0.249 40 D C 0.873 176.660 176.300 -0.855 0.000 1.306 40 D CA -0.045 53.631 54.000 -0.540 0.000 0.956 40 D CB 1.096 41.727 40.800 -0.282 0.000 1.261 40 D HN 0.719 nan 8.370 nan 0.000 0.544 41 G N 1.287 109.559 108.800 -0.879 0.000 2.479 41 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.220 41 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.220 41 G C 1.307 176.072 174.900 -0.225 0.000 1.115 41 G CA 1.155 45.961 45.100 -0.489 0.000 0.757 41 G HN 0.500 nan 8.290 nan 0.000 0.560 42 S N -1.567 114.024 115.700 -0.181 0.000 2.562 42 S HA 0.008 4.477 4.470 -0.001 0.000 0.221 42 S C 1.330 175.856 174.600 -0.122 0.000 0.975 42 S CA 0.506 58.640 58.200 -0.110 0.000 0.918 42 S CB -0.634 62.519 63.200 -0.077 0.000 0.772 42 S HN 0.776 nan 8.310 nan 0.000 0.531 43 c N 2.553 121.043 118.600 -0.182 0.000 4.114 43 c HA -0.191 4.378 4.570 -0.001 0.000 0.300 43 c C 1.738 175.751 174.090 -0.128 0.000 1.423 43 c CA 1.093 57.320 56.329 -0.171 0.000 2.034 43 c CB -2.877 39.550 42.510 -0.138 0.000 1.299 43 c HN 0.875 nan 8.230 nan 0.000 0.727 44 T N -2.769 111.717 114.554 -0.113 0.000 3.051 44 T HA 0.038 4.387 4.350 -0.001 0.000 0.255 44 T C 0.536 175.183 174.700 -0.087 0.000 1.085 44 T CA 0.967 63.016 62.100 -0.085 0.000 1.109 44 T CB -0.147 68.682 68.868 -0.064 0.000 0.921 44 T HN 0.679 nan 8.240 nan 0.000 0.488 45 N N 1.535 120.173 118.700 -0.104 0.000 2.485 45 N HA 0.259 4.998 4.740 -0.001 0.000 0.243 45 N C 0.341 175.761 175.510 -0.150 0.000 0.987 45 N CA -0.644 52.350 53.050 -0.093 0.000 0.940 45 N CB 0.538 38.984 38.487 -0.068 0.000 1.122 45 N HN 0.265 nan 8.380 nan 0.000 0.509 46 L N 2.778 123.908 121.223 -0.155 0.000 2.650 46 L HA 0.111 4.450 4.340 -0.001 0.000 0.235 46 L C 1.515 178.157 176.870 -0.381 0.000 1.149 46 L CA 0.225 54.910 54.840 -0.257 0.000 0.887 46 L CB -0.048 41.903 42.059 -0.180 0.000 1.021 46 L HN 0.325 nan 8.230 nan 0.000 0.441 47 R N -0.346 120.021 120.500 -0.223 0.000 2.362 47 R HA 0.328 4.667 4.340 -0.001 0.000 0.227 47 R C 0.334 176.566 176.300 -0.114 0.000 0.905 47 R CA 0.155 56.190 56.100 -0.108 0.000 1.067 47 R CB 0.370 30.709 30.300 0.065 0.000 1.078 47 R HN 0.289 nan 8.270 nan 0.000 0.516 48 L N -0.159 120.943 121.223 -0.201 0.000 2.298 48 L HA 0.426 4.765 4.340 -0.001 0.000 0.268 48 L C -0.194 176.600 176.870 -0.126 0.000 1.010 48 L CA -1.351 53.445 54.840 -0.074 0.000 0.812 48 L CB 0.578 42.619 42.059 -0.030 0.000 1.331 48 L HN -0.118 nan 8.230 nan 0.000 0.450 49 Y N -0.793 119.510 120.300 0.005 0.000 2.442 49 Y HA 0.002 4.552 4.550 -0.001 0.000 0.330 49 Y C 0.936 176.768 175.900 -0.114 0.000 1.129 49 Y CA -0.132 58.009 58.100 0.068 0.000 1.365 49 Y CB 0.875 39.490 38.460 0.259 0.000 1.233 49 Y HN 0.539 nan 8.280 nan 0.000 0.529 50 c N 0.893 119.518 118.600 0.042 0.000 2.735 50 c HA 0.304 4.873 4.570 -0.001 0.000 0.271 50 c C 1.772 175.956 174.090 0.156 0.000 1.281 50 c CA 0.586 56.838 56.329 -0.128 0.000 1.719 50 c CB -0.539 41.911 42.510 -0.098 0.000 2.024 50 c HN 1.220 nan 8.230 nan 0.000 0.566 51 G N -0.032 109.026 108.800 0.431 0.000 2.229 51 G HA2 -0.007 3.952 3.960 -0.001 0.000 0.189 51 G HA3 -0.007 3.952 3.960 -0.001 0.000 0.189 51 G C 0.369 175.430 174.900 0.267 0.000 1.000 51 G CA -0.137 45.252 45.100 0.482 0.000 0.663 51 G HN 0.746 nan 8.290 nan 0.000 0.493 52 G N 0.600 109.535 108.800 0.224 0.000 2.491 52 G HA2 0.550 4.509 3.960 -0.001 0.000 0.238 52 G HA3 0.550 4.509 3.960 -0.001 0.000 0.238 52 G C -0.034 174.940 174.900 0.122 0.000 1.277 52 G CA 1.064 46.261 45.100 0.160 0.000 0.851 52 G HN 0.983 nan 8.290 nan 0.000 0.573 53 D N -1.061 119.386 120.400 0.079 0.000 2.825 53 D HA 0.231 4.871 4.640 -0.001 0.000 0.327 53 D C 0.363 176.710 176.300 0.078 0.000 1.277 53 D CA -0.846 53.142 54.000 -0.019 0.000 0.950 53 D CB 0.273 41.073 40.800 -0.001 0.000 1.438 53 D HN 0.318 nan 8.370 nan 0.000 0.526 54 W N -0.654 120.721 121.300 0.124 0.000 2.518 54 W HA 0.051 4.710 4.660 -0.001 0.000 0.273 54 W C 1.891 178.460 176.519 0.084 0.000 1.247 54 W CA 0.555 57.958 57.345 0.097 0.000 1.288 54 W CB -0.778 28.762 29.460 0.134 0.000 1.107 54 W HN 0.511 nan 8.180 nan 0.000 0.586 55 Q N 0.533 120.486 119.800 0.255 0.000 2.291 55 Q HA -0.030 4.310 4.340 -0.001 0.000 0.205 55 Q C 2.305 178.381 176.000 0.127 0.000 0.970 55 Q CA 1.985 57.886 55.803 0.163 0.000 0.876 55 Q CB -0.747 28.059 28.738 0.114 0.000 0.935 55 Q HN 0.159 nan 8.270 nan 0.000 0.455 56 G N 0.129 109.016 108.800 0.145 0.000 2.394 56 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.215 56 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.215 56 G C 1.377 176.402 174.900 0.208 0.000 1.165 56 G CA 0.772 45.944 45.100 0.119 0.000 0.784 56 G HN 0.411 nan 8.290 nan 0.000 0.535 57 I N 0.517 121.272 120.570 0.309 0.000 2.202 57 I HA -0.086 4.083 4.170 -0.001 0.000 0.242 57 I C 2.633 178.852 176.117 0.170 0.000 1.091 57 I CA 0.654 62.144 61.300 0.317 0.000 1.368 57 I CB -0.280 37.853 38.000 0.221 0.000 1.058 57 I HN 0.100 nan 8.210 nan 0.000 0.410 58 I N 1.297 121.936 120.570 0.116 0.000 2.145 58 I HA -0.377 3.793 4.170 -0.001 0.000 0.244 58 I C 2.106 178.230 176.117 0.012 0.000 1.075 58 I CA 2.095 63.423 61.300 0.047 0.000 1.332 58 I CB -0.672 37.364 38.000 0.060 0.000 1.033 58 I HN 0.354 nan 8.210 nan 0.000 0.410 59 N N 0.381 119.093 118.700 0.019 0.000 2.166 59 N HA -0.160 4.580 4.740 -0.001 0.000 0.186 59 N C 1.592 177.073 175.510 -0.049 0.000 1.019 59 N CA 0.755 53.788 53.050 -0.029 0.000 0.856 59 N CB 0.021 38.474 38.487 -0.058 0.000 0.993 59 N HN 0.217 nan 8.380 nan 0.000 0.426 60 K N 0.792 121.189 120.400 -0.004 0.000 2.439 60 K HA 0.061 4.381 4.320 -0.001 0.000 0.197 60 K C 1.640 178.295 176.600 0.093 0.000 1.041 60 K CA 0.421 56.734 56.287 0.044 0.000 0.970 60 K CB 0.083 32.699 32.500 0.194 0.000 0.773 60 K HN 0.370 nan 8.250 nan 0.000 0.479 61 I N 0.314 120.887 120.570 0.004 0.000 2.339 61 I HA -0.179 3.990 4.170 -0.001 0.000 0.245 61 I C 1.739 177.692 176.117 -0.272 0.000 1.096 61 I CA 0.804 62.027 61.300 -0.127 0.000 1.408 61 I CB -0.261 37.635 38.000 -0.172 0.000 1.092 61 I HN 0.182 nan 8.210 nan 0.000 0.423 62 N N 1.026 119.589 118.700 -0.228 0.000 2.120 62 N HA -0.213 4.526 4.740 -0.001 0.000 0.188 62 N C 0.997 176.465 175.510 -0.070 0.000 1.024 62 N CA 1.498 54.437 53.050 -0.186 0.000 0.852 62 N CB -0.040 38.404 38.487 -0.072 0.000 1.003 62 N HN 0.434 nan 8.380 nan 0.000 0.424 63 D N -0.718 119.657 120.400 -0.042 0.000 2.328 63 D HA 0.080 4.720 4.640 -0.001 0.000 0.226 63 D C 1.113 177.431 176.300 0.030 0.000 1.066 63 D CA 0.433 54.429 54.000 -0.007 0.000 0.861 63 D CB -0.166 40.616 40.800 -0.029 0.000 0.912 63 D HN 0.261 nan 8.370 nan 0.000 0.521 64 G N -0.072 108.746 108.800 0.029 0.000 2.179 64 G HA2 -0.448 3.511 3.960 -0.001 0.000 0.260 64 G HA3 -0.448 3.511 3.960 -0.001 0.000 0.260 64 G C 0.661 175.638 174.900 0.128 0.000 0.977 64 G CA 0.406 45.545 45.100 0.064 0.000 0.641 64 G HN 0.393 nan 8.290 nan 0.000 0.533 65 Y N 0.771 121.102 120.300 0.051 0.000 2.128 65 Y HA 0.067 4.616 4.550 -0.001 0.000 0.284 65 Y C 2.577 178.577 175.900 0.167 0.000 1.154 65 Y CA 2.500 60.692 58.100 0.153 0.000 1.149 65 Y CB -0.230 38.306 38.460 0.127 0.000 0.976 65 Y HN 0.321 nan 8.280 nan 0.000 0.505 66 L N -1.146 120.108 121.223 0.051 0.000 2.202 66 L HA -0.089 4.250 4.340 -0.001 0.000 0.205 66 L C 2.505 179.289 176.870 -0.144 0.000 1.083 66 L CA 1.389 56.142 54.840 -0.146 0.000 0.790 66 L CB -0.898 41.125 42.059 -0.060 0.000 0.942 66 L HN 0.262 nan 8.230 nan 0.000 0.452 67 T N -2.890 111.632 114.554 -0.053 0.000 2.867 67 T HA -0.069 4.281 4.350 -0.001 0.000 0.268 67 T C 1.978 176.651 174.700 -0.044 0.000 1.057 67 T CA 0.914 62.996 62.100 -0.030 0.000 1.136 67 T CB -0.829 68.063 68.868 0.040 0.000 0.874 67 T HN 0.352 nan 8.240 nan 0.000 0.466 68 G N 0.861 109.654 108.800 -0.011 0.000 2.432 68 G HA2 -0.114 3.846 3.960 -0.001 0.000 0.219 68 G HA3 -0.114 3.846 3.960 -0.001 0.000 0.219 68 G C 1.521 176.366 174.900 -0.093 0.000 1.135 68 G CA 0.636 45.759 45.100 0.038 0.000 0.767 68 G HN 0.485 nan 8.290 nan 0.000 0.550 69 M N 0.124 119.530 119.600 -0.324 0.000 2.562 69 M HA 0.173 4.653 4.480 -0.001 0.000 0.257 69 M C 1.814 177.905 176.300 -0.348 0.000 1.099 69 M CA 0.946 55.865 55.300 -0.634 0.000 1.099 69 M CB 0.213 32.301 32.600 -0.852 0.000 1.427 69 M HN 0.387 nan 8.290 nan 0.000 0.489 70 G N 1.291 109.966 108.800 -0.208 0.000 2.136 70 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.242 70 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.242 70 G C -0.008 174.816 174.900 -0.126 0.000 0.989 70 G CA -0.333 44.680 45.100 -0.144 0.000 0.682 70 G HN 0.356 nan 8.290 nan 0.000 0.522 71 I N 1.974 122.460 120.570 -0.141 0.000 2.618 71 I HA 0.241 4.410 4.170 -0.001 0.000 0.284 71 I C 1.781 177.873 176.117 -0.041 0.000 1.146 71 I CA 1.371 62.621 61.300 -0.083 0.000 1.425 71 I CB 0.827 38.747 38.000 -0.133 0.000 1.383 71 I HN 0.361 nan 8.210 nan 0.000 0.562 72 T N 2.027 116.571 114.554 -0.016 0.000 3.084 72 T HA 0.631 4.980 4.350 -0.001 0.000 0.270 72 T C 0.210 174.926 174.700 0.026 0.000 1.008 72 T CA -0.149 61.938 62.100 -0.022 0.000 0.900 72 T CB 0.339 69.158 68.868 -0.081 0.000 1.084 72 T HN 0.678 nan 8.240 nan 0.000 0.538 73 A N 1.714 124.598 122.820 0.107 0.000 2.540 73 A HA 0.728 5.048 4.320 -0.001 0.000 0.297 73 A C -0.894 176.841 177.584 0.251 0.000 1.056 73 A CA -1.192 50.972 52.037 0.212 0.000 0.700 73 A CB 1.033 20.236 19.000 0.338 0.000 1.280 73 A HN 0.686 nan 8.150 nan 0.000 0.398 74 I N -1.585 119.136 120.570 0.252 0.000 2.562 74 I HA 0.842 5.011 4.170 -0.001 0.000 0.301 74 I C -0.826 175.498 176.117 0.344 0.000 1.003 74 I CA -0.806 60.657 61.300 0.272 0.000 1.127 74 I CB 1.889 39.989 38.000 0.166 0.000 1.304 74 I HN 0.729 nan 8.210 nan 0.000 0.446 75 W N 8.556 129.937 121.300 0.134 0.000 2.362 75 W HA 0.682 5.342 4.660 -0.001 0.000 0.316 75 W C -1.115 175.422 176.519 0.031 0.000 1.024 75 W CA -2.008 55.408 57.345 0.119 0.000 1.270 75 W CB 0.668 30.241 29.460 0.187 0.000 1.273 75 W HN 0.635 nan 8.180 nan 0.000 0.424 76 I N 2.391 123.113 120.570 0.253 0.000 2.793 76 I HA 0.624 4.793 4.170 -0.001 0.000 0.313 76 I C 0.628 176.711 176.117 -0.056 0.000 0.998 76 I CA -0.855 60.460 61.300 0.026 0.000 1.140 76 I CB 1.310 39.350 38.000 0.067 0.000 1.327 76 I HN 0.155 nan 8.210 nan 0.000 0.491 77 S N 1.681 117.216 115.700 -0.275 0.000 2.560 77 S HA -0.056 4.414 4.470 -0.001 0.000 0.276 77 S C 0.028 174.561 174.600 -0.111 0.000 1.350 77 S CA -0.340 57.630 58.200 -0.382 0.000 1.024 77 S CB 0.225 63.133 63.200 -0.486 0.000 0.864 77 S HN 0.726 nan 8.310 nan 0.000 0.536 78 Q N 2.839 122.534 119.800 -0.175 0.000 2.263 78 Q HA 0.006 4.345 4.340 -0.001 0.000 0.289 78 Q C -1.510 174.509 176.000 0.031 0.000 1.061 78 Q CA -1.178 54.566 55.803 -0.097 0.000 0.927 78 Q CB 0.575 29.205 28.738 -0.180 0.000 1.154 78 Q HN 0.340 nan 8.270 nan 0.000 0.378 79 P HA -0.046 nan 4.420 nan 0.000 0.241 79 P C 0.352 177.708 177.300 0.093 0.000 1.191 79 P CA 0.349 63.557 63.100 0.180 0.000 0.771 79 P CB -0.069 31.490 31.700 -0.234 0.000 0.929 80 V N -2.003 117.852 119.914 -0.098 0.000 2.953 80 V HA 0.303 4.423 4.120 -0.001 0.000 0.304 80 V C 0.452 176.488 176.094 -0.096 0.000 1.073 80 V CA -1.183 61.109 62.300 -0.013 0.000 1.064 80 V CB 0.378 32.116 31.823 -0.142 0.000 1.047 80 V HN -0.057 nan 8.190 nan 0.000 0.478 81 E N 2.737 122.911 120.200 -0.043 0.000 2.465 81 E HA 0.050 4.400 4.350 -0.001 0.000 0.260 81 E C -0.132 176.330 176.600 -0.230 0.000 0.980 81 E CA 0.249 56.572 56.400 -0.129 0.000 0.927 81 E CB 0.235 29.914 29.700 -0.036 0.000 0.934 81 E HN 0.878 nan 8.360 nan 0.000 0.459 82 N N 2.846 121.345 118.700 -0.336 0.000 2.525 82 N HA 0.315 5.055 4.740 -0.001 0.000 0.288 82 N C -0.003 175.271 175.510 -0.392 0.000 1.242 82 N CA -0.793 52.092 53.050 -0.274 0.000 0.905 82 N CB 0.977 39.337 38.487 -0.212 0.000 1.258 82 N HN 0.457 nan 8.380 nan 0.000 0.551 83 I N -1.140 119.334 120.570 -0.161 0.000 2.993 83 I HA -0.026 4.143 4.170 -0.001 0.000 0.286 83 I C -0.068 175.890 176.117 -0.265 0.000 1.215 83 I CA 0.137 61.355 61.300 -0.137 0.000 1.393 83 I CB 0.214 38.218 38.000 0.008 0.000 1.371 83 I HN 0.610 nan 8.210 nan 0.000 0.602 84 Y N 1.844 122.158 120.300 0.024 0.000 2.458 84 Y HA 0.213 4.762 4.550 -0.001 0.000 0.256 84 Y C 1.312 177.237 175.900 0.041 0.000 1.159 84 Y CA -0.261 57.852 58.100 0.021 0.000 1.261 84 Y CB -0.065 38.373 38.460 -0.036 0.000 1.119 84 Y HN 0.553 nan 8.280 nan 0.000 0.524 85 S N 0.631 116.411 115.700 0.134 0.000 2.560 85 S HA 0.180 4.649 4.470 -0.001 0.000 0.284 85 S C -0.008 174.653 174.600 0.102 0.000 1.327 85 S CA -0.448 57.787 58.200 0.059 0.000 1.055 85 S CB 1.200 64.356 63.200 -0.074 0.000 0.868 85 S HN -0.055 nan 8.310 nan 0.000 0.506 86 V N 4.345 124.301 119.914 0.070 0.000 2.350 86 V HA 0.328 4.447 4.120 -0.001 0.000 0.276 86 V C 0.002 176.110 176.094 0.023 0.000 1.028 86 V CA -0.369 61.989 62.300 0.098 0.000 0.860 86 V CB 0.449 32.328 31.823 0.093 0.000 0.990 86 V HN 0.699 nan 8.190 nan 0.000 0.453 87 I N 4.874 125.460 120.570 0.026 0.000 2.353 87 I HA 0.340 4.510 4.170 -0.001 0.000 0.293 87 I C 0.371 176.419 176.117 -0.114 0.000 0.992 87 I CA -0.225 60.983 61.300 -0.153 0.000 1.268 87 I CB 1.179 38.992 38.000 -0.311 0.000 1.387 87 I HN 0.515 nan 8.210 nan 0.000 0.478 88 N N 6.742 125.363 118.700 -0.132 0.000 2.439 88 N HA 0.209 4.948 4.740 -0.001 0.000 0.249 88 N C -1.637 173.827 175.510 -0.078 0.000 1.003 88 N CA -0.277 52.749 53.050 -0.039 0.000 0.942 88 N CB 0.617 39.108 38.487 0.005 0.000 1.115 88 N HN 0.383 nan 8.380 nan 0.000 0.505 89 Y N 1.902 122.275 120.300 0.121 0.000 2.417 89 Y HA 0.143 4.692 4.550 -0.001 0.000 0.336 89 Y C 0.934 176.871 175.900 0.062 0.000 0.961 89 Y CA -0.540 57.617 58.100 0.096 0.000 1.215 89 Y CB 1.066 39.587 38.460 0.102 0.000 1.120 89 Y HN 0.495 nan 8.280 nan 0.000 0.499 90 S N 2.696 118.505 115.700 0.180 0.000 3.631 90 S HA -0.223 4.247 4.470 -0.001 0.000 0.366 90 S C 1.294 175.946 174.600 0.086 0.000 0.993 90 S CA 1.043 59.308 58.200 0.109 0.000 1.167 90 S CB -1.477 61.783 63.200 0.098 0.000 0.909 90 S HN 1.467 nan 8.310 nan 0.000 0.478 91 G N -2.007 106.840 108.800 0.078 0.000 2.299 91 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.237 91 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.237 91 G C 0.093 175.037 174.900 0.072 0.000 1.027 91 G CA -0.125 45.012 45.100 0.061 0.000 0.619 91 G HN 1.383 nan 8.290 nan 0.000 0.513 92 V N 2.181 122.157 119.914 0.103 0.000 2.432 92 V HA 0.532 4.651 4.120 -0.001 0.000 0.275 92 V C 0.281 176.460 176.094 0.141 0.000 1.043 92 V CA -1.154 61.212 62.300 0.110 0.000 0.925 92 V CB 1.457 33.350 31.823 0.116 0.000 0.985 92 V HN 0.333 nan 8.190 nan 0.000 0.466 93 N N 3.908 122.674 118.700 0.111 0.000 2.530 93 N HA 0.365 5.105 4.740 -0.001 0.000 0.277 93 N C -0.442 175.168 175.510 0.167 0.000 1.168 93 N CA -0.050 53.071 53.050 0.119 0.000 0.979 93 N CB 0.603 39.142 38.487 0.085 0.000 1.141 93 N HN 0.738 nan 8.380 nan 0.000 0.459 94 N N -0.503 118.329 118.700 0.220 0.000 2.287 94 N HA 0.387 5.127 4.740 -0.001 0.000 0.289 94 N C -0.864 174.820 175.510 0.289 0.000 1.066 94 N CA -0.414 52.815 53.050 0.300 0.000 0.841 94 N CB 2.227 41.042 38.487 0.546 0.000 1.599 94 N HN 0.576 nan 8.380 nan 0.000 0.476 95 T N -2.627 112.020 114.554 0.155 0.000 2.858 95 T HA 0.597 4.947 4.350 -0.001 0.000 0.285 95 T C 0.356 174.832 174.700 -0.374 0.000 1.052 95 T CA -0.706 61.458 62.100 0.106 0.000 1.009 95 T CB 1.526 70.490 68.868 0.160 0.000 1.241 95 T HN 0.348 nan 8.240 nan 0.000 0.542 96 A N 0.279 122.894 122.820 -0.340 0.000 2.503 96 A HA 0.300 4.620 4.320 -0.001 0.000 0.263 96 A C 1.303 178.288 177.584 -0.999 0.000 1.360 96 A CA -0.241 51.340 52.037 -0.759 0.000 0.969 96 A CB -1.727 17.183 19.000 -0.150 0.000 1.000 96 A HN 0.931 nan 8.150 nan 0.000 0.530 97 Y N -0.033 119.523 120.300 -1.241 0.000 2.193 97 Y HA -0.360 4.189 4.550 -0.001 0.000 0.285 97 Y C 1.925 177.541 175.900 -0.473 0.000 1.166 97 Y CA 1.859 59.270 58.100 -1.148 0.000 1.181 97 Y CB -1.117 36.854 38.460 -0.815 0.000 0.976 97 Y HN 0.643 nan 8.280 nan 0.000 0.520 98 H N -0.988 117.393 119.070 -1.148 0.000 2.524 98 H HA 0.267 4.822 4.556 -0.001 0.000 0.282 98 H C 2.009 176.825 175.328 -0.854 0.000 1.016 98 H CA -0.009 55.477 56.048 -0.936 0.000 1.270 98 H CB -0.849 28.349 29.762 -0.940 0.000 1.394 98 H HN 0.493 nan 8.280 nan 0.000 0.568 99 G N -0.400 108.156 108.800 -0.406 0.000 2.179 99 G HA2 -0.365 3.594 3.960 -0.001 0.000 0.260 99 G HA3 -0.365 3.594 3.960 -0.001 0.000 0.260 99 G C 0.416 175.172 174.900 -0.240 0.000 0.977 99 G CA 0.489 45.409 45.100 -0.300 0.000 0.641 99 G HN 0.516 nan 8.290 nan 0.000 0.533 100 Y N -1.365 118.929 120.300 -0.010 0.000 2.490 100 Y HA 0.352 4.901 4.550 -0.001 0.000 0.281 100 Y C 1.007 177.102 175.900 0.325 0.000 1.174 100 Y CA -0.477 57.638 58.100 0.026 0.000 1.295 100 Y CB 0.267 38.631 38.460 -0.160 0.000 1.062 100 Y HN 0.377 nan 8.280 nan 0.000 0.522 101 W N 1.495 122.912 121.300 0.195 0.000 2.024 101 W HA 0.682 5.342 4.660 -0.001 0.000 0.318 101 W C 0.096 176.601 176.519 -0.022 0.000 0.817 101 W CA -2.030 55.395 57.345 0.135 0.000 1.745 101 W CB -0.509 29.024 29.460 0.121 0.000 1.940 101 W HN -0.177 nan 8.180 nan 0.000 0.346 102 A N 2.231 125.103 122.820 0.087 0.000 2.386 102 A HA 0.536 4.856 4.320 -0.001 0.000 0.248 102 A C 1.318 178.845 177.584 -0.095 0.000 1.082 102 A CA -0.057 51.840 52.037 -0.234 0.000 0.789 102 A CB 0.645 19.144 19.000 -0.835 0.000 1.025 102 A HN 0.661 nan 8.150 nan 0.000 0.490 103 R N -0.269 120.169 120.500 -0.103 0.000 2.576 103 R HA 0.265 4.604 4.340 -0.001 0.000 0.237 103 R C -0.894 175.536 176.300 0.217 0.000 0.917 103 R CA 0.234 56.403 56.100 0.116 0.000 1.002 103 R CB 0.626 31.002 30.300 0.127 0.000 1.428 103 R HN 0.507 nan 8.270 nan 0.000 0.603 104 D N 0.151 120.605 120.400 0.090 0.000 2.478 104 D HA 0.170 4.809 4.640 -0.001 0.000 0.240 104 D C -0.650 175.811 176.300 0.268 0.000 1.364 104 D CA -0.745 53.440 54.000 0.308 0.000 0.987 104 D CB 0.923 41.875 40.800 0.253 0.000 1.328 104 D HN 0.012 nan 8.370 nan 0.000 0.584 105 F N 1.809 121.970 119.950 0.352 0.000 2.771 105 F HA 0.103 4.630 4.527 -0.001 0.000 0.299 105 F C 2.052 178.113 175.800 0.435 0.000 1.177 105 F CA 0.378 58.562 58.000 0.307 0.000 1.450 105 F CB 0.295 39.390 39.000 0.158 0.000 1.114 105 F HN 0.129 nan 8.300 nan 0.000 0.587 106 K N -0.255 120.418 120.400 0.455 0.000 2.358 106 K HA 0.181 4.500 4.320 -0.001 0.000 0.200 106 K C 0.420 177.120 176.600 0.167 0.000 1.030 106 K CA 0.251 56.681 56.287 0.237 0.000 1.097 106 K CB 0.614 33.220 32.500 0.176 0.000 0.862 106 K HN 0.064 nan 8.250 nan 0.000 0.534 107 K N 1.187 121.742 120.400 0.258 0.000 2.350 107 K HA 0.293 4.613 4.320 -0.001 0.000 0.241 107 K C 0.335 177.117 176.600 0.305 0.000 0.994 107 K CA -0.445 55.959 56.287 0.194 0.000 0.839 107 K CB 1.453 34.038 32.500 0.143 0.000 1.244 107 K HN 0.023 nan 8.250 nan 0.000 0.443 108 T N -1.397 113.334 114.554 0.295 0.000 2.874 108 T HA 0.189 4.538 4.350 -0.001 0.000 0.281 108 T C 0.385 175.169 174.700 0.141 0.000 0.994 108 T CA -0.725 61.602 62.100 0.378 0.000 1.015 108 T CB 0.691 69.901 68.868 0.569 0.000 1.028 108 T HN 0.387 nan 8.240 nan 0.000 0.523 109 N N 1.863 120.564 118.700 0.003 0.000 2.411 109 N HA 0.234 4.974 4.740 -0.001 0.000 0.259 109 N C -1.900 173.442 175.510 -0.281 0.000 1.103 109 N CA -2.379 50.507 53.050 -0.273 0.000 0.954 109 N CB 1.214 39.321 38.487 -0.634 0.000 1.085 109 N HN 0.291 nan 8.380 nan 0.000 0.485 110 P HA -0.025 nan 4.420 nan 0.000 0.222 110 P C 0.752 177.934 177.300 -0.197 0.000 1.147 110 P CA 0.774 63.807 63.100 -0.112 0.000 0.790 110 P CB 0.178 31.863 31.700 -0.026 0.000 0.780 111 A N -1.312 121.331 122.820 -0.295 0.000 1.969 111 A HA -0.190 4.129 4.320 -0.001 0.000 0.218 111 A C 1.672 179.177 177.584 -0.133 0.000 1.169 111 A CA 1.298 53.178 52.037 -0.262 0.000 0.635 111 A CB -1.519 17.258 19.000 -0.371 0.000 0.810 111 A HN 0.115 nan 8.150 nan 0.000 0.445 112 Y N -0.952 119.069 120.300 -0.465 0.000 2.448 112 Y HA 0.393 4.943 4.550 -0.001 0.000 0.289 112 Y C 1.553 176.842 175.900 -1.018 0.000 1.114 112 Y CA 0.013 57.565 58.100 -0.914 0.000 1.235 112 Y CB -0.644 36.938 38.460 -1.462 0.000 1.045 112 Y HN 0.444 nan 8.280 nan 0.000 0.554 113 G N -0.742 107.747 108.800 -0.519 0.000 2.369 113 G HA2 0.233 4.192 3.960 -0.001 0.000 0.295 113 G HA3 0.233 4.192 3.960 -0.001 0.000 0.295 113 G C -0.582 174.429 174.900 0.186 0.000 1.298 113 G CA -0.550 44.506 45.100 -0.073 0.000 0.940 113 G HN 0.210 nan 8.290 nan 0.000 0.536 114 T N -1.865 112.889 114.554 0.333 0.000 2.897 114 T HA 0.547 4.896 4.350 -0.001 0.000 0.278 114 T C 1.743 176.716 174.700 0.454 0.000 0.981 114 T CA -0.078 62.210 62.100 0.314 0.000 0.973 114 T CB 1.147 70.131 68.868 0.195 0.000 1.092 114 T HN 0.416 nan 8.240 nan 0.000 0.543 115 M N 0.082 119.866 119.600 0.307 0.000 2.159 115 M HA -0.087 4.393 4.480 -0.001 0.000 0.263 115 M C 2.365 178.815 176.300 0.251 0.000 1.063 115 M CA 1.519 56.975 55.300 0.260 0.000 1.110 115 M CB -1.197 31.482 32.600 0.130 0.000 1.374 115 M HN 0.709 nan 8.290 nan 0.000 0.411 116 Q N 0.253 120.176 119.800 0.204 0.000 2.123 116 Q HA -0.146 4.194 4.340 -0.001 0.000 0.199 116 Q C 1.464 177.582 176.000 0.197 0.000 0.966 116 Q CA 1.240 57.142 55.803 0.165 0.000 0.845 116 Q CB -0.104 28.709 28.738 0.125 0.000 0.907 116 Q HN 0.494 nan 8.270 nan 0.000 0.439 117 D N -0.305 120.266 120.400 0.285 0.000 2.117 117 D HA -0.132 4.508 4.640 -0.001 0.000 0.198 117 D C 1.644 178.138 176.300 0.323 0.000 0.982 117 D CA 0.628 54.834 54.000 0.342 0.000 0.828 117 D CB -0.392 40.709 40.800 0.502 0.000 0.967 117 D HN 0.172 nan 8.370 nan 0.000 0.464 118 F N 1.593 121.634 119.950 0.151 0.000 2.134 118 F HA -0.190 4.337 4.527 -0.001 0.000 0.299 118 F C 2.211 177.939 175.800 -0.119 0.000 1.097 118 F CA 1.397 59.248 58.000 -0.249 0.000 1.264 118 F CB 0.212 39.052 39.000 -0.267 0.000 1.001 118 F HN -0.185 nan 8.300 nan 0.000 0.479 119 K N 0.122 120.583 120.400 0.102 0.000 2.025 119 K HA -0.162 4.157 4.320 -0.001 0.000 0.207 119 K C 1.739 178.304 176.600 -0.059 0.000 1.049 119 K CA 1.556 57.854 56.287 0.017 0.000 0.933 119 K CB -0.273 32.273 32.500 0.076 0.000 0.714 119 K HN 0.165 nan 8.250 nan 0.000 0.438 120 N N 0.893 119.590 118.700 -0.005 0.000 2.149 120 N HA -0.168 4.571 4.740 -0.001 0.000 0.188 120 N C 1.650 177.115 175.510 -0.074 0.000 1.019 120 N CA 0.841 53.886 53.050 -0.009 0.000 0.857 120 N CB -0.253 38.262 38.487 0.047 0.000 0.997 120 N HN 0.065 nan 8.380 nan 0.000 0.426 121 L N 0.859 121.990 121.223 -0.153 0.000 2.046 121 L HA -0.037 4.302 4.340 -0.001 0.000 0.208 121 L C 1.797 178.462 176.870 -0.341 0.000 1.077 121 L CA 1.322 56.014 54.840 -0.246 0.000 0.747 121 L CB -0.348 41.456 42.059 -0.425 0.000 0.896 121 L HN 0.033 nan 8.230 nan 0.000 0.432 122 I N -0.323 119.968 120.570 -0.465 0.000 2.252 122 I HA -0.203 3.967 4.170 -0.001 0.000 0.245 122 I C 2.009 177.833 176.117 -0.489 0.000 1.102 122 I CA 1.138 62.102 61.300 -0.560 0.000 1.385 122 I CB -1.415 36.281 38.000 -0.507 0.000 1.064 122 I HN 0.292 nan 8.210 nan 0.000 0.414 123 D N 0.437 120.693 120.400 -0.240 0.000 2.183 123 D HA -0.095 4.544 4.640 -0.001 0.000 0.203 123 D C 2.194 178.483 176.300 -0.018 0.000 0.969 123 D CA 1.204 55.146 54.000 -0.096 0.000 0.842 123 D CB -0.147 40.635 40.800 -0.031 0.000 0.957 123 D HN 0.237 nan 8.370 nan 0.000 0.484 124 T N 0.501 115.045 114.554 -0.018 0.000 2.737 124 T HA -0.054 4.296 4.350 -0.001 0.000 0.265 124 T C 2.030 176.806 174.700 0.127 0.000 1.038 124 T CA 1.339 63.487 62.100 0.079 0.000 1.144 124 T CB -0.224 68.663 68.868 0.031 0.000 0.866 124 T HN 0.164 nan 8.240 nan 0.000 0.434 125 A N 1.548 124.373 122.820 0.009 0.000 1.877 125 A HA -0.182 4.137 4.320 -0.001 0.000 0.216 125 A C 2.101 179.781 177.584 0.160 0.000 1.186 125 A CA 1.622 53.688 52.037 0.049 0.000 0.620 125 A CB -0.889 18.085 19.000 -0.043 0.000 0.822 125 A HN 0.473 nan 8.150 nan 0.000 0.443 126 H N -0.225 118.857 119.070 0.021 0.000 2.387 126 H HA 0.061 4.617 4.556 -0.001 0.000 0.299 126 H C 2.372 177.699 175.328 -0.002 0.000 1.090 126 H CA 0.980 57.031 56.048 0.004 0.000 1.332 126 H CB -0.673 29.084 29.762 -0.009 0.000 1.386 126 H HN 0.495 nan 8.280 nan 0.000 0.516 127 A N 0.255 123.154 122.820 0.131 0.000 2.121 127 A HA -0.129 4.191 4.320 -0.001 0.000 0.218 127 A C 1.220 178.707 177.584 -0.162 0.000 1.154 127 A CA 1.014 53.049 52.037 -0.003 0.000 0.679 127 A CB -0.337 18.657 19.000 -0.010 0.000 0.795 127 A HN 0.475 nan 8.150 nan 0.000 0.458 128 H N -0.328 118.758 119.070 0.027 0.000 2.486 128 H HA 0.112 4.668 4.556 -0.001 0.000 0.284 128 H C -0.194 175.136 175.328 0.003 0.000 1.103 128 H CA -0.194 55.861 56.048 0.012 0.000 1.089 128 H CB 0.090 29.860 29.762 0.013 0.000 1.603 128 H HN 0.447 nan 8.280 nan 0.000 0.557 129 N N 1.081 119.814 118.700 0.055 0.000 2.727 129 N HA -0.192 4.548 4.740 -0.001 0.000 0.249 129 N C -0.422 175.100 175.510 0.021 0.000 1.048 129 N CA 0.714 53.770 53.050 0.009 0.000 0.714 129 N CB -1.343 37.123 38.487 -0.035 0.000 0.959 129 N HN 0.486 nan 8.380 nan 0.000 0.544 130 I N 0.555 121.174 120.570 0.082 0.000 2.433 130 I HA 0.212 4.381 4.170 -0.001 0.000 0.292 130 I C 0.493 176.700 176.117 0.150 0.000 1.001 130 I CA -0.634 60.716 61.300 0.084 0.000 1.119 130 I CB 1.686 39.737 38.000 0.085 0.000 1.289 130 I HN -0.192 nan 8.210 nan 0.000 0.438 131 K N 4.639 125.113 120.400 0.123 0.000 2.144 131 K HA 0.576 4.895 4.320 -0.001 0.000 0.270 131 K C -1.017 175.736 176.600 0.255 0.000 1.005 131 K CA -0.620 55.790 56.287 0.205 0.000 0.932 131 K CB 1.973 34.545 32.500 0.121 0.000 1.021 131 K HN 0.266 nan 8.250 nan 0.000 0.462 132 V N 4.610 124.677 119.914 0.256 0.000 2.384 132 V HA 0.364 4.483 4.120 -0.001 0.000 0.287 132 V C -0.140 176.088 176.094 0.224 0.000 1.020 132 V CA -0.755 61.646 62.300 0.168 0.000 0.850 132 V CB 1.054 32.870 31.823 -0.011 0.000 0.987 132 V HN 0.611 nan 8.190 nan 0.000 0.436 133 I N 6.053 126.760 120.570 0.229 0.000 2.412 133 I HA 0.558 4.727 4.170 -0.001 0.000 0.296 133 I C -0.154 176.066 176.117 0.171 0.000 0.987 133 I CA -0.589 60.813 61.300 0.170 0.000 1.180 133 I CB 1.738 39.823 38.000 0.141 0.000 1.340 133 I HN 0.607 nan 8.210 nan 0.000 0.455 134 I N 0.877 121.511 120.570 0.107 0.000 2.603 134 I HA 0.568 4.738 4.170 -0.001 0.000 0.300 134 I C -0.652 175.511 176.117 0.077 0.000 1.017 134 I CA -0.897 60.471 61.300 0.113 0.000 1.098 134 I CB 1.552 39.580 38.000 0.048 0.000 1.279 134 I HN 0.294 nan 8.210 nan 0.000 0.437 135 D N 3.319 123.796 120.400 0.127 0.000 2.362 135 D HA 0.380 5.019 4.640 -0.001 0.000 0.242 135 D C -1.341 175.048 176.300 0.148 0.000 1.132 135 D CA 0.704 54.773 54.000 0.116 0.000 0.907 135 D CB 1.174 42.017 40.800 0.072 0.000 1.195 135 D HN 0.519 nan 8.370 nan 0.000 0.429 136 F N 0.451 120.408 119.950 0.012 0.000 2.630 136 F HA 0.460 4.986 4.527 -0.001 0.000 0.325 136 F C -1.132 174.749 175.800 0.134 0.000 1.184 136 F CA -0.649 57.392 58.000 0.069 0.000 1.011 136 F CB 1.387 40.437 39.000 0.083 0.000 1.268 136 F HN 0.299 nan 8.300 nan 0.000 0.480 137 A N 7.328 130.079 122.820 -0.115 0.000 2.938 137 A HA 0.471 4.791 4.320 -0.001 0.000 0.344 137 A C -2.393 175.131 177.584 -0.101 0.000 1.142 137 A CA -1.185 50.840 52.037 -0.019 0.000 0.841 137 A CB -0.236 18.792 19.000 0.047 0.000 1.083 137 A HN 0.448 nan 8.150 nan 0.000 0.479 138 P HA -0.045 nan 4.420 nan 0.000 0.253 138 P C 0.550 177.801 177.300 -0.081 0.000 1.281 138 P CA 0.240 63.226 63.100 -0.190 0.000 0.792 138 P CB 0.050 31.674 31.700 -0.126 0.000 1.193 139 N N 0.577 119.225 118.700 -0.087 0.000 2.376 139 N HA -0.058 4.682 4.740 -0.001 0.000 0.177 139 N C 0.367 175.889 175.510 0.020 0.000 1.024 139 N CA 0.477 53.548 53.050 0.036 0.000 0.893 139 N CB 0.232 38.807 38.487 0.147 0.000 0.980 139 N HN 0.336 nan 8.380 nan 0.000 0.439 140 H N -2.806 116.322 119.070 0.097 0.000 2.948 140 H HA 0.180 4.735 4.556 -0.001 0.000 0.315 140 H C -0.124 175.337 175.328 0.222 0.000 1.360 140 H CA -0.292 55.821 56.048 0.109 0.000 1.125 140 H CB 1.066 30.868 29.762 0.066 0.000 1.844 140 H HN -0.067 nan 8.280 nan 0.000 0.529 141 T N -0.675 114.099 114.554 0.367 0.000 3.608 141 T HA 0.316 4.665 4.350 -0.001 0.000 0.213 141 T C 0.746 175.631 174.700 0.308 0.000 0.897 141 T CA 0.868 63.167 62.100 0.332 0.000 1.533 141 T CB -0.526 68.554 68.868 0.353 0.000 1.504 141 T HN 0.838 nan 8.240 nan 0.000 0.446 142 S N 0.654 116.410 115.700 0.093 0.000 2.705 142 S HA 0.653 5.123 4.470 -0.001 0.000 0.280 142 S C -3.357 171.031 174.600 -0.353 0.000 1.174 142 S CA -1.586 56.523 58.200 -0.151 0.000 0.823 142 S CB 1.003 64.131 63.200 -0.120 0.000 1.162 142 S HN 0.204 nan 8.310 nan 0.000 0.487 143 P HA 0.464 nan 4.420 nan 0.000 0.264 143 P C -1.089 176.099 177.300 -0.186 0.000 1.193 143 P CA 0.382 63.286 63.100 -0.328 0.000 0.763 143 P CB 0.494 31.977 31.700 -0.361 0.000 0.810 144 A N 2.376 125.163 122.820 -0.055 0.000 2.574 144 A HA 0.658 4.977 4.320 -0.001 0.000 0.297 144 A C -0.969 176.631 177.584 0.028 0.000 1.062 144 A CA -0.473 51.549 52.037 -0.025 0.000 0.686 144 A CB 1.545 20.339 19.000 -0.344 0.000 1.285 144 A HN 0.323 nan 8.150 nan 0.000 0.403 145 S N 0.300 116.108 115.700 0.180 0.000 2.552 145 S HA 0.482 4.952 4.470 -0.001 0.000 0.314 145 S C 1.157 175.876 174.600 0.197 0.000 1.099 145 S CA 0.161 58.418 58.200 0.095 0.000 1.070 145 S CB 1.026 64.207 63.200 -0.032 0.000 0.998 145 S HN 1.630 nan 8.310 nan 0.000 0.474 146 S N 3.398 119.275 115.700 0.294 0.000 2.383 146 S HA -0.095 4.375 4.470 -0.001 0.000 0.227 146 S C 1.139 175.764 174.600 0.043 0.000 1.026 146 S CA 0.951 59.241 58.200 0.149 0.000 0.981 146 S CB -0.459 62.725 63.200 -0.027 0.000 0.818 146 S HN 0.766 nan 8.310 nan 0.000 0.472 147 D N 1.879 122.296 120.400 0.029 0.000 2.221 147 D HA -0.033 4.607 4.640 -0.001 0.000 0.204 147 D C 0.074 176.375 176.300 0.002 0.000 0.982 147 D CA 1.235 55.233 54.000 -0.003 0.000 0.857 147 D CB -0.194 40.596 40.800 -0.017 0.000 0.934 147 D HN 0.440 nan 8.370 nan 0.000 0.475 148 D N -0.801 119.613 120.400 0.023 0.000 2.408 148 D HA 0.108 4.748 4.640 -0.001 0.000 0.261 148 D C -1.894 174.456 176.300 0.083 0.000 1.190 148 D CA -1.971 52.052 54.000 0.039 0.000 0.910 148 D CB 1.690 42.503 40.800 0.021 0.000 1.097 148 D HN -0.084 nan 8.370 nan 0.000 0.522 149 P HA -0.103 nan 4.420 nan 0.000 0.228 149 P C 0.879 178.210 177.300 0.051 0.000 1.151 149 P CA 0.575 63.706 63.100 0.051 0.000 0.770 149 P CB 0.255 31.968 31.700 0.021 0.000 0.786 150 S N -1.589 114.148 115.700 0.063 0.000 2.528 150 S HA 0.018 4.488 4.470 -0.001 0.000 0.219 150 S C 0.532 175.165 174.600 0.055 0.000 0.985 150 S CA -0.639 57.587 58.200 0.044 0.000 0.914 150 S CB -1.238 61.984 63.200 0.037 0.000 0.776 150 S HN 0.071 nan 8.310 nan 0.000 0.526 151 F N 3.717 123.635 119.950 -0.053 0.000 2.543 151 F HA 0.465 4.991 4.527 -0.001 0.000 0.375 151 F C 1.022 176.766 175.800 -0.094 0.000 1.075 151 F CA 0.053 58.004 58.000 -0.081 0.000 1.225 151 F CB -0.067 38.880 39.000 -0.088 0.000 1.099 151 F HN 0.509 nan 8.300 nan 0.000 0.561 152 A N 4.726 127.051 122.820 -0.826 0.000 5.584 152 A HA -0.360 3.960 4.320 -0.001 0.000 0.303 152 A C 0.873 178.271 177.584 -0.309 0.000 1.923 152 A CA 1.437 53.063 52.037 -0.685 0.000 0.717 152 A CB -1.368 17.019 19.000 -1.023 0.000 1.281 152 A HN 0.838 nan 8.150 nan 0.000 0.379 153 E N 1.124 121.194 120.200 -0.217 0.000 2.585 153 E HA 0.233 4.582 4.350 -0.001 0.000 0.206 153 E C 0.303 176.872 176.600 -0.051 0.000 1.007 153 E CA 0.341 56.702 56.400 -0.066 0.000 1.028 153 E CB -0.130 29.584 29.700 0.024 0.000 1.087 153 E HN 0.651 nan 8.360 nan 0.000 0.455 154 N N 0.893 119.535 118.700 -0.096 0.000 2.714 154 N HA -0.253 4.486 4.740 -0.001 0.000 0.252 154 N C 0.679 176.122 175.510 -0.112 0.000 1.014 154 N CA 0.491 53.506 53.050 -0.058 0.000 0.735 154 N CB -0.892 37.591 38.487 -0.007 0.000 0.924 154 N HN 0.606 nan 8.380 nan 0.000 0.540 155 G N 0.045 108.746 108.800 -0.165 0.000 2.212 155 G HA2 -0.365 3.595 3.960 -0.001 0.000 0.267 155 G HA3 -0.365 3.595 3.960 -0.001 0.000 0.267 155 G C 0.278 175.159 174.900 -0.032 0.000 1.002 155 G CA 0.805 45.786 45.100 -0.198 0.000 0.729 155 G HN 0.673 nan 8.290 nan 0.000 0.517 156 R N -0.891 119.639 120.500 0.050 0.000 2.623 156 R HA 0.379 4.718 4.340 -0.001 0.000 0.271 156 R C 0.041 176.467 176.300 0.211 0.000 1.043 156 R CA -0.210 55.959 56.100 0.116 0.000 1.083 156 R CB 0.632 30.987 30.300 0.091 0.000 0.974 156 R HN 0.265 nan 8.270 nan 0.000 0.436 157 L N 3.837 125.129 121.223 0.116 0.000 2.341 157 L HA 0.398 4.737 4.340 -0.001 0.000 0.278 157 L C -1.454 175.361 176.870 -0.091 0.000 1.005 157 L CA -0.421 54.499 54.840 0.134 0.000 0.818 157 L CB 1.072 43.175 42.059 0.073 0.000 1.259 157 L HN 0.438 nan 8.230 nan 0.000 0.418 158 Y N 1.898 122.247 120.300 0.082 0.000 2.587 158 Y HA 0.556 5.105 4.550 -0.001 0.000 0.337 158 Y C -0.564 175.391 175.900 0.090 0.000 1.065 158 Y CA -0.733 57.406 58.100 0.065 0.000 1.126 158 Y CB 1.832 40.354 38.460 0.104 0.000 1.279 158 Y HN 0.560 nan 8.280 nan 0.000 0.489 159 D N 1.357 121.906 120.400 0.248 0.000 2.389 159 D HA 0.139 4.778 4.640 -0.001 0.000 0.256 159 D C -0.683 175.788 176.300 0.285 0.000 1.239 159 D CA -0.532 53.668 54.000 0.333 0.000 0.925 159 D CB 0.093 40.997 40.800 0.174 0.000 1.145 159 D HN 0.595 nan 8.370 nan 0.000 0.542 160 N N 3.394 122.272 118.700 0.298 0.000 2.727 160 N HA -0.236 4.503 4.740 -0.001 0.000 0.249 160 N C 1.010 176.618 175.510 0.162 0.000 1.048 160 N CA 2.231 55.397 53.050 0.193 0.000 0.714 160 N CB -1.009 37.567 38.487 0.148 0.000 0.959 160 N HN 0.892 nan 8.380 nan 0.000 0.544 161 G N -1.366 107.554 108.800 0.200 0.000 2.254 161 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.225 161 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.225 161 G C -0.000 175.061 174.900 0.268 0.000 1.003 161 G CA 0.154 45.361 45.100 0.178 0.000 0.622 161 G HN 0.796 nan 8.290 nan 0.000 0.507 162 N N 0.922 119.754 118.700 0.220 0.000 2.411 162 N HA 0.474 5.214 4.740 -0.001 0.000 0.259 162 N C 0.153 175.724 175.510 0.102 0.000 1.103 162 N CA -0.515 52.628 53.050 0.154 0.000 0.954 162 N CB 0.706 39.247 38.487 0.089 0.000 1.085 162 N HN 0.452 nan 8.380 nan 0.000 0.485 163 L N 4.828 126.047 121.223 -0.008 0.000 2.477 163 L HA 0.157 4.497 4.340 -0.001 0.000 0.272 163 L C 0.497 177.217 176.870 -0.250 0.000 1.157 163 L CA 0.503 55.111 54.840 -0.386 0.000 0.889 163 L CB 0.220 42.006 42.059 -0.454 0.000 1.158 163 L HN 0.720 nan 8.230 nan 0.000 0.473 164 L N 4.736 125.787 121.223 -0.286 0.000 2.202 164 L HA 0.417 4.757 4.340 -0.001 0.000 0.205 164 L C 1.112 177.888 176.870 -0.157 0.000 1.083 164 L CA 0.585 55.301 54.840 -0.207 0.000 0.790 164 L CB -0.474 41.420 42.059 -0.274 0.000 0.942 164 L HN 0.889 nan 8.230 nan 0.000 0.452 165 G N -1.424 107.290 108.800 -0.143 0.000 2.336 165 G HA2 0.398 4.358 3.960 -0.001 0.000 0.300 165 G HA3 0.398 4.358 3.960 -0.001 0.000 0.300 165 G C -1.417 173.546 174.900 0.106 0.000 1.375 165 G CA -0.250 44.840 45.100 -0.017 0.000 0.885 165 G HN 0.169 nan 8.290 nan 0.000 0.599 166 G N -2.051 106.822 108.800 0.121 0.000 2.730 166 G HA2 0.547 4.507 3.960 -0.001 0.000 0.289 166 G HA3 0.547 4.507 3.960 -0.001 0.000 0.289 166 G C 0.077 174.936 174.900 -0.067 0.000 1.341 166 G CA -0.211 44.904 45.100 0.025 0.000 0.932 166 G HN 0.780 nan 8.290 nan 0.000 0.481 167 Y N 0.186 120.220 120.300 -0.443 0.000 2.337 167 Y HA 0.166 4.716 4.550 -0.001 0.000 0.293 167 Y C 1.812 177.643 175.900 -0.116 0.000 1.123 167 Y CA 1.107 58.920 58.100 -0.479 0.000 1.201 167 Y CB 0.132 38.262 38.460 -0.550 0.000 1.011 167 Y HN 0.319 nan 8.280 nan 0.000 0.545 168 T N 2.025 116.548 114.554 -0.052 0.000 2.832 168 T HA 0.095 4.445 4.350 -0.001 0.000 0.296 168 T C -0.059 174.587 174.700 -0.089 0.000 0.968 168 T CA 0.082 62.133 62.100 -0.081 0.000 1.107 168 T CB 0.250 69.103 68.868 -0.024 0.000 0.916 168 T HN 0.422 nan 8.240 nan 0.000 0.517 169 N N 2.172 120.792 118.700 -0.134 0.000 2.756 169 N HA -0.167 4.573 4.740 -0.001 0.000 0.248 169 N C -0.954 174.503 175.510 -0.088 0.000 1.062 169 N CA 0.281 53.262 53.050 -0.115 0.000 0.696 169 N CB -0.796 37.646 38.487 -0.075 0.000 0.946 169 N HN 0.644 nan 8.380 nan 0.000 0.548 170 D N -0.395 119.937 120.400 -0.114 0.000 2.551 170 D HA 0.181 4.820 4.640 -0.001 0.000 0.223 170 D C 1.386 177.642 176.300 -0.073 0.000 1.144 170 D CA 0.487 54.475 54.000 -0.019 0.000 1.025 170 D CB -0.035 40.837 40.800 0.121 0.000 1.085 170 D HN 0.406 nan 8.370 nan 0.000 0.506 171 T N -0.308 114.207 114.554 -0.064 0.000 3.055 171 T HA -0.125 4.224 4.350 -0.001 0.000 0.265 171 T C 1.450 176.120 174.700 -0.050 0.000 1.111 171 T CA 0.692 62.749 62.100 -0.071 0.000 1.118 171 T CB -0.082 68.749 68.868 -0.061 0.000 0.909 171 T HN 0.322 nan 8.240 nan 0.000 0.501 172 Q N 0.755 120.536 119.800 -0.031 0.000 2.403 172 Q HA 0.219 4.559 4.340 -0.001 0.000 0.203 172 Q C 0.026 176.007 176.000 -0.032 0.000 0.932 172 Q CA -0.284 55.498 55.803 -0.034 0.000 0.945 172 Q CB -0.202 28.509 28.738 -0.044 0.000 1.045 172 Q HN 0.530 nan 8.270 nan 0.000 0.511 173 N N 0.186 118.883 118.700 -0.005 0.000 2.705 173 N HA -0.194 4.546 4.740 -0.001 0.000 0.255 173 N C 0.037 175.523 175.510 -0.040 0.000 1.008 173 N CA 0.058 53.126 53.050 0.030 0.000 0.742 173 N CB -0.786 37.707 38.487 0.010 0.000 0.906 173 N HN 0.298 nan 8.380 nan 0.000 0.541 174 L N -1.599 119.562 121.223 -0.103 0.000 2.376 174 L HA 0.066 4.405 4.340 -0.001 0.000 0.219 174 L C 0.314 176.773 176.870 -0.685 0.000 1.133 174 L CA 0.836 55.418 54.840 -0.430 0.000 0.816 174 L CB -0.136 41.547 42.059 -0.627 0.000 0.933 174 L HN 0.179 nan 8.230 nan 0.000 0.449 175 F N -2.619 117.263 119.950 -0.113 0.000 2.620 175 F HA 0.394 4.920 4.527 -0.001 0.000 0.320 175 F C 0.303 175.918 175.800 -0.309 0.000 1.069 175 F CA -0.996 56.868 58.000 -0.227 0.000 0.953 175 F CB 0.956 39.903 39.000 -0.087 0.000 1.322 175 F HN -0.225 nan 8.300 nan 0.000 0.479 176 H N 0.352 119.411 119.070 -0.018 0.000 2.511 176 H HA 0.333 4.888 4.556 -0.001 0.000 0.346 176 H C -0.661 174.408 175.328 -0.432 0.000 1.128 176 H CA -0.441 55.556 56.048 -0.085 0.000 1.342 176 H CB 0.745 30.628 29.762 0.201 0.000 1.470 176 H HN 0.476 nan 8.280 nan 0.000 0.546 177 H N 3.930 122.846 119.070 -0.257 0.000 2.439 177 H HA 0.037 4.592 4.556 -0.001 0.000 0.230 177 H C -0.567 174.502 175.328 -0.432 0.000 1.420 177 H CA 0.010 55.891 56.048 -0.279 0.000 1.305 177 H CB 0.179 29.721 29.762 -0.366 0.000 1.667 177 H HN 0.758 nan 8.280 nan 0.000 0.515 178 Y N 0.359 120.718 120.300 0.099 0.000 2.467 178 Y HA 0.316 4.866 4.550 -0.001 0.000 0.250 178 Y C 1.644 177.547 175.900 0.005 0.000 1.155 178 Y CA 0.460 58.571 58.100 0.019 0.000 1.249 178 Y CB 1.227 39.668 38.460 -0.030 0.000 1.146 178 Y HN 0.689 nan 8.280 nan 0.000 0.524 179 G N -0.275 108.594 108.800 0.116 0.000 2.526 179 G HA2 0.128 4.087 3.960 -0.001 0.000 0.250 179 G HA3 0.128 4.087 3.960 -0.001 0.000 0.250 179 G C -0.150 174.764 174.900 0.024 0.000 1.289 179 G CA -0.699 44.437 45.100 0.060 0.000 0.947 179 G HN 0.516 nan 8.290 nan 0.000 0.517 180 G N -0.947 107.832 108.800 -0.034 0.000 2.400 180 G HA2 0.695 4.654 3.960 -0.001 0.000 0.333 180 G HA3 0.695 4.654 3.960 -0.001 0.000 0.333 180 G C 0.174 174.968 174.900 -0.176 0.000 1.143 180 G CA 0.938 45.972 45.100 -0.110 0.000 0.914 180 G HN 1.280 nan 8.290 nan 0.000 0.480 181 T N -0.470 113.887 114.554 -0.329 0.000 2.918 181 T HA 0.216 4.566 4.350 -0.001 0.000 0.302 181 T C 0.828 175.255 174.700 -0.455 0.000 1.045 181 T CA 0.214 62.043 62.100 -0.451 0.000 1.114 181 T CB 0.678 69.099 68.868 -0.745 0.000 0.965 181 T HN 0.602 nan 8.240 nan 0.000 0.540 182 D N 2.249 122.472 120.400 -0.295 0.000 2.440 182 D HA 0.075 4.715 4.640 -0.001 0.000 0.216 182 D C 0.695 177.027 176.300 0.054 0.000 1.150 182 D CA -0.388 53.557 54.000 -0.091 0.000 0.832 182 D CB -0.717 40.072 40.800 -0.018 0.000 0.992 182 D HN 0.640 nan 8.370 nan 0.000 0.502 183 F N 0.482 120.399 119.950 -0.055 0.000 3.021 183 F HA -0.348 4.179 4.527 -0.001 0.000 0.294 183 F C 1.989 177.777 175.800 -0.020 0.000 0.761 183 F CA 0.803 58.780 58.000 -0.038 0.000 1.102 183 F CB -2.345 36.635 39.000 -0.034 0.000 1.380 183 F HN 0.179 nan 8.300 nan 0.000 0.387 184 S N -1.183 114.571 115.700 0.090 0.000 2.399 184 S HA -0.023 4.446 4.470 -0.001 0.000 0.231 184 S C 0.950 175.579 174.600 0.048 0.000 1.022 184 S CA 1.283 59.521 58.200 0.063 0.000 0.983 184 S CB -0.269 62.947 63.200 0.026 0.000 0.803 184 S HN 0.648 nan 8.310 nan 0.000 0.480 185 T N -2.443 112.123 114.554 0.020 0.000 2.883 185 T HA 0.623 4.973 4.350 -0.001 0.000 0.296 185 T C 0.776 175.474 174.700 -0.003 0.000 1.117 185 T CA -0.899 61.210 62.100 0.015 0.000 1.006 185 T CB 0.944 69.802 68.868 -0.017 0.000 1.191 185 T HN -0.098 nan 8.240 nan 0.000 0.508 186 I N 0.832 121.413 120.570 0.018 0.000 2.226 186 I HA -0.102 4.067 4.170 -0.001 0.000 0.245 186 I C 2.561 178.602 176.117 -0.128 0.000 1.100 186 I CA 1.756 63.054 61.300 -0.004 0.000 1.374 186 I CB -1.016 37.063 38.000 0.132 0.000 1.057 186 I HN 0.979 nan 8.210 nan 0.000 0.413 187 E N 1.140 121.184 120.200 -0.259 0.000 2.058 187 E HA -0.287 4.062 4.350 -0.001 0.000 0.194 187 E C 2.093 178.559 176.600 -0.223 0.000 0.997 187 E CA 1.514 57.613 56.400 -0.501 0.000 0.801 187 E CB -0.185 29.124 29.700 -0.652 0.000 0.746 187 E HN 0.389 nan 8.360 nan 0.000 0.450 188 N N -0.016 118.591 118.700 -0.155 0.000 2.223 188 N HA -0.117 4.623 4.740 -0.001 0.000 0.185 188 N C 1.807 177.216 175.510 -0.167 0.000 1.016 188 N CA 1.408 54.380 53.050 -0.129 0.000 0.863 188 N CB -0.216 38.207 38.487 -0.106 0.000 0.983 188 N HN 0.267 nan 8.380 nan 0.000 0.429 189 G N 0.074 108.784 108.800 -0.150 0.000 2.712 189 G HA2 0.025 3.985 3.960 -0.001 0.000 0.212 189 G HA3 0.025 3.985 3.960 -0.001 0.000 0.212 189 G C 1.669 176.535 174.900 -0.057 0.000 1.142 189 G CA -0.037 44.988 45.100 -0.125 0.000 0.789 189 G HN 0.284 nan 8.290 nan 0.000 0.535 190 I N -1.129 119.324 120.570 -0.194 0.000 2.429 190 I HA 0.041 4.211 4.170 -0.001 0.000 0.247 190 I C 1.887 177.759 176.117 -0.409 0.000 1.099 190 I CA 0.697 61.791 61.300 -0.343 0.000 1.422 190 I CB 0.061 37.683 38.000 -0.629 0.000 1.112 190 I HN 0.081 nan 8.210 nan 0.000 0.430 191 Y N 0.996 121.236 120.300 -0.100 0.000 2.497 191 Y HA 0.206 4.755 4.550 -0.001 0.000 0.265 191 Y C 1.033 176.880 175.900 -0.088 0.000 1.111 191 Y CA -0.108 57.833 58.100 -0.266 0.000 1.288 191 Y CB -0.120 38.038 38.460 -0.503 0.000 1.082 191 Y HN -0.080 nan 8.280 nan 0.000 0.536 192 K N 0.837 121.250 120.400 0.023 0.000 2.109 192 K HA 0.196 4.515 4.320 -0.001 0.000 0.243 192 K C -0.436 176.140 176.600 -0.040 0.000 1.006 192 K CA -0.958 55.352 56.287 0.038 0.000 0.917 192 K CB 0.438 32.900 32.500 -0.064 0.000 1.081 192 K HN -0.072 nan 8.250 nan 0.000 0.468 193 N N 1.715 120.381 118.700 -0.058 0.000 2.518 193 N HA 0.094 4.833 4.740 -0.001 0.000 0.266 193 N C -0.488 174.825 175.510 -0.329 0.000 1.196 193 N CA -0.098 52.864 53.050 -0.145 0.000 0.947 193 N CB 0.242 38.652 38.487 -0.129 0.000 1.098 193 N HN 0.335 nan 8.380 nan 0.000 0.450 194 L N 2.486 123.452 121.223 -0.429 0.000 2.283 194 L HA 0.334 4.674 4.340 -0.001 0.000 0.287 194 L C 0.182 176.712 176.870 -0.567 0.000 1.073 194 L CA -0.787 53.599 54.840 -0.756 0.000 0.822 194 L CB -0.455 41.031 42.059 -0.956 0.000 1.186 194 L HN 0.533 nan 8.230 nan 0.000 0.436 195 Y N 2.053 122.251 120.300 -0.169 0.000 2.836 195 Y HA -0.412 4.137 4.550 -0.001 0.000 0.470 195 Y C 1.158 176.978 175.900 -0.133 0.000 1.158 195 Y CA 1.449 59.479 58.100 -0.116 0.000 2.671 195 Y CB -1.252 37.148 38.460 -0.101 0.000 1.183 195 Y HN 0.931 nan 8.280 nan 0.000 0.621 196 D N 0.370 120.810 120.400 0.067 0.000 2.620 196 D HA 0.288 4.927 4.640 -0.001 0.000 0.260 196 D C -0.581 175.637 176.300 -0.137 0.000 1.367 196 D CA -0.024 53.950 54.000 -0.042 0.000 0.805 196 D CB -0.640 40.179 40.800 0.031 0.000 1.096 196 D HN 0.452 nan 8.370 nan 0.000 0.488 197 L N 1.266 122.395 121.223 -0.157 0.000 2.331 197 L HA 0.520 4.860 4.340 -0.001 0.000 0.278 197 L C 0.731 177.442 176.870 -0.265 0.000 1.106 197 L CA -1.001 53.706 54.840 -0.222 0.000 0.824 197 L CB 1.195 43.064 42.059 -0.317 0.000 1.142 197 L HN 0.043 nan 8.230 nan 0.000 0.443 198 A N 2.608 125.232 122.820 -0.327 0.000 2.496 198 A HA 0.016 4.336 4.320 -0.001 0.000 0.278 198 A C -0.036 177.568 177.584 0.034 0.000 1.137 198 A CA -0.257 51.510 52.037 -0.450 0.000 0.805 198 A CB -0.429 18.220 19.000 -0.586 0.000 1.077 198 A HN 0.712 nan 8.150 nan 0.000 0.513 199 D N 2.670 123.089 120.400 0.032 0.000 2.363 199 D HA 0.294 4.934 4.640 -0.001 0.000 0.263 199 D C 0.194 176.481 176.300 -0.022 0.000 1.258 199 D CA 0.404 54.450 54.000 0.077 0.000 0.907 199 D CB 0.200 41.065 40.800 0.109 0.000 1.107 199 D HN 0.480 nan 8.370 nan 0.000 0.495 200 L N 3.312 124.424 121.223 -0.184 0.000 2.439 200 L HA 0.139 4.478 4.340 -0.001 0.000 0.269 200 L C 0.736 177.078 176.870 -0.880 0.000 1.179 200 L CA -0.258 54.245 54.840 -0.563 0.000 0.828 200 L CB 0.396 42.072 42.059 -0.639 0.000 1.106 200 L HN 0.384 nan 8.230 nan 0.000 0.467 201 N N 0.227 118.415 118.700 -0.853 0.000 2.546 201 N HA 0.167 4.906 4.740 -0.001 0.000 0.238 201 N C 0.294 175.472 175.510 -0.553 0.000 0.984 201 N CA -0.294 52.357 53.050 -0.665 0.000 0.935 201 N CB 0.513 38.782 38.487 -0.365 0.000 1.122 201 N HN 0.435 nan 8.380 nan 0.000 0.510 202 H N 1.184 120.030 119.070 -0.373 0.000 2.547 202 H HA 0.062 4.617 4.556 -0.001 0.000 0.272 202 H C 1.150 176.350 175.328 -0.214 0.000 0.989 202 H CA 0.504 56.216 56.048 -0.560 0.000 1.214 202 H CB 0.306 29.331 29.762 -1.229 0.000 1.389 202 H HN 0.521 nan 8.280 nan 0.000 0.577 203 N N 0.759 119.487 118.700 0.047 0.000 2.494 203 N HA -0.123 4.617 4.740 -0.001 0.000 0.182 203 N C 0.206 175.750 175.510 0.057 0.000 1.076 203 N CA 0.080 53.199 53.050 0.114 0.000 0.908 203 N CB 0.020 38.608 38.487 0.168 0.000 0.967 203 N HN 0.184 nan 8.380 nan 0.000 0.449 204 N N 0.257 118.946 118.700 -0.018 0.000 2.411 204 N HA 0.034 4.774 4.740 -0.001 0.000 0.259 204 N C 0.178 175.684 175.510 -0.006 0.000 1.103 204 N CA 0.171 53.202 53.050 -0.031 0.000 0.954 204 N CB 1.004 39.428 38.487 -0.104 0.000 1.085 204 N HN 0.021 nan 8.380 nan 0.000 0.485 205 S N 2.311 118.029 115.700 0.031 0.000 2.402 205 S HA -0.134 4.335 4.470 -0.001 0.000 0.233 205 S C 1.765 176.395 174.600 0.050 0.000 1.030 205 S CA 1.269 59.505 58.200 0.059 0.000 1.003 205 S CB 0.018 63.253 63.200 0.058 0.000 0.813 205 S HN 0.663 nan 8.310 nan 0.000 0.477 206 S N 0.721 116.426 115.700 0.008 0.000 2.383 206 S HA -0.026 4.443 4.470 -0.001 0.000 0.227 206 S C 1.979 176.582 174.600 0.006 0.000 1.026 206 S CA 0.843 59.043 58.200 0.000 0.000 0.981 206 S CB -0.251 62.919 63.200 -0.049 0.000 0.818 206 S HN 0.340 nan 8.310 nan 0.000 0.472 207 V N 1.936 121.813 119.914 -0.062 0.000 2.307 207 V HA -0.185 3.935 4.120 -0.001 0.000 0.245 207 V C 2.207 178.342 176.094 0.067 0.000 1.045 207 V CA 2.086 64.334 62.300 -0.087 0.000 1.024 207 V CB -0.727 30.916 31.823 -0.300 0.000 0.651 207 V HN 0.486 nan 8.190 nan 0.000 0.449 208 D N 0.100 120.563 120.400 0.105 0.000 2.103 208 D HA -0.193 4.447 4.640 -0.001 0.000 0.190 208 D C 1.993 178.483 176.300 0.317 0.000 0.997 208 D CA 2.024 56.213 54.000 0.316 0.000 0.833 208 D CB -0.137 40.858 40.800 0.325 0.000 0.961 208 D HN 0.173 nan 8.370 nan 0.000 0.447 209 V N -0.248 119.794 119.914 0.213 0.000 2.407 209 V HA -0.210 3.910 4.120 -0.001 0.000 0.248 209 V C 2.065 178.272 176.094 0.189 0.000 1.055 209 V CA 1.824 64.227 62.300 0.172 0.000 1.049 209 V CB -0.882 31.015 31.823 0.123 0.000 0.662 209 V HN 0.365 nan 8.190 nan 0.000 0.455 210 Y N 0.666 121.010 120.300 0.074 0.000 2.114 210 Y HA -0.222 4.327 4.550 -0.001 0.000 0.284 210 Y C 2.193 178.158 175.900 0.108 0.000 1.143 210 Y CA 1.728 59.867 58.100 0.065 0.000 1.135 210 Y CB -0.365 38.105 38.460 0.016 0.000 0.980 210 Y HN 0.146 nan 8.280 nan 0.000 0.499 211 L N 0.139 121.388 121.223 0.044 0.000 2.131 211 L HA -0.226 4.114 4.340 -0.001 0.000 0.210 211 L C 2.362 179.376 176.870 0.239 0.000 1.092 211 L CA 1.680 56.542 54.840 0.036 0.000 0.759 211 L CB -0.464 41.705 42.059 0.184 0.000 0.903 211 L HN 0.215 nan 8.230 nan 0.000 0.435 212 K N -0.477 120.075 120.400 0.253 0.000 2.116 212 K HA -0.107 4.213 4.320 -0.001 0.000 0.203 212 K C 1.604 178.221 176.600 0.028 0.000 1.052 212 K CA 1.030 57.426 56.287 0.182 0.000 0.952 212 K CB -0.067 32.515 32.500 0.138 0.000 0.729 212 K HN 0.192 nan 8.250 nan 0.000 0.446 213 D N 1.043 121.443 120.400 0.001 0.000 2.144 213 D HA -0.093 4.546 4.640 -0.001 0.000 0.200 213 D C 1.838 178.104 176.300 -0.057 0.000 0.978 213 D CA 1.089 55.057 54.000 -0.053 0.000 0.833 213 D CB -0.131 40.657 40.800 -0.020 0.000 0.961 213 D HN 0.169 nan 8.370 nan 0.000 0.470 214 A N 0.800 123.586 122.820 -0.057 0.000 1.858 214 A HA -0.168 4.151 4.320 -0.001 0.000 0.216 214 A C 2.215 179.926 177.584 0.213 0.000 1.190 214 A CA 1.029 53.102 52.037 0.061 0.000 0.617 214 A CB -0.723 18.340 19.000 0.106 0.000 0.827 214 A HN 0.200 nan 8.150 nan 0.000 0.443 215 I N -0.110 120.534 120.570 0.123 0.000 2.315 215 I HA -0.173 3.997 4.170 -0.001 0.000 0.248 215 I C 2.097 178.222 176.117 0.013 0.000 1.117 215 I CA 1.546 62.812 61.300 -0.057 0.000 1.404 215 I CB -0.344 37.478 38.000 -0.296 0.000 1.071 215 I HN 0.272 nan 8.210 nan 0.000 0.419 216 K N -0.486 119.889 120.400 -0.042 0.000 2.152 216 K HA -0.214 4.105 4.320 -0.001 0.000 0.206 216 K C 2.156 178.774 176.600 0.030 0.000 1.048 216 K CA 1.772 58.033 56.287 -0.043 0.000 0.933 216 K CB -0.302 31.996 32.500 -0.337 0.000 0.721 216 K HN 0.397 nan 8.250 nan 0.000 0.447 217 M N -0.476 119.087 119.600 -0.061 0.000 2.117 217 M HA -0.179 4.300 4.480 -0.001 0.000 0.262 217 M C 1.369 177.545 176.300 -0.207 0.000 1.065 217 M CA 1.787 56.980 55.300 -0.178 0.000 1.114 217 M CB -0.140 32.249 32.600 -0.352 0.000 1.361 217 M HN 0.231 nan 8.290 nan 0.000 0.408 218 W N 0.600 121.913 121.300 0.022 0.000 2.388 218 W HA -0.131 4.529 4.660 -0.001 0.000 0.294 218 W C 2.044 178.609 176.519 0.077 0.000 1.212 218 W CA 0.613 57.975 57.345 0.029 0.000 1.271 218 W CB -0.423 29.035 29.460 -0.004 0.000 1.126 218 W HN 0.196 nan 8.180 nan 0.000 0.535 219 L N -0.150 121.221 121.223 0.246 0.000 2.083 219 L HA -0.215 4.125 4.340 -0.001 0.000 0.209 219 L C 1.855 178.827 176.870 0.170 0.000 1.083 219 L CA 1.145 56.103 54.840 0.197 0.000 0.752 219 L CB -0.794 41.385 42.059 0.200 0.000 0.899 219 L HN -0.091 nan 8.230 nan 0.000 0.433 220 D N 0.157 120.654 120.400 0.162 0.000 2.219 220 D HA -0.099 4.540 4.640 -0.001 0.000 0.205 220 D C 2.240 178.600 176.300 0.101 0.000 0.970 220 D CA 0.988 55.057 54.000 0.116 0.000 0.851 220 D CB -0.025 40.832 40.800 0.094 0.000 0.943 220 D HN 0.295 nan 8.370 nan 0.000 0.488 221 L N -0.638 120.660 121.223 0.125 0.000 2.552 221 L HA 0.102 4.442 4.340 -0.001 0.000 0.227 221 L C 1.425 178.424 176.870 0.215 0.000 1.146 221 L CA 0.594 55.541 54.840 0.179 0.000 0.858 221 L CB -0.047 42.162 42.059 0.249 0.000 0.969 221 L HN 0.163 nan 8.230 nan 0.000 0.451 222 G N 0.044 108.969 108.800 0.208 0.000 2.148 222 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.203 222 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.203 222 G C 0.303 175.348 174.900 0.241 0.000 0.993 222 G CA -0.009 45.214 45.100 0.205 0.000 0.661 222 G HN 0.175 nan 8.290 nan 0.000 0.518 223 V N -2.039 118.040 119.914 0.276 0.000 3.096 223 V HA 0.585 4.704 4.120 -0.001 0.000 0.306 223 V C 0.780 177.020 176.094 0.243 0.000 1.088 223 V CA 0.747 63.206 62.300 0.265 0.000 1.129 223 V CB 1.365 33.373 31.823 0.310 0.000 1.014 223 V HN 0.125 nan 8.190 nan 0.000 0.486 224 D N 1.903 122.466 120.400 0.271 0.000 2.441 224 D HA 0.346 4.985 4.640 -0.001 0.000 0.210 224 D C 0.601 177.093 176.300 0.321 0.000 1.102 224 D CA 1.074 55.273 54.000 0.331 0.000 0.840 224 D CB 1.387 42.443 40.800 0.428 0.000 0.990 224 D HN 0.959 nan 8.370 nan 0.000 0.505 225 G N 0.493 109.395 108.800 0.170 0.000 2.623 225 G HA2 0.599 4.558 3.960 -0.001 0.000 0.290 225 G HA3 0.599 4.558 3.960 -0.001 0.000 0.290 225 G C -1.755 173.123 174.900 -0.037 0.000 1.437 225 G CA -0.615 44.498 45.100 0.020 0.000 0.798 225 G HN -0.008 nan 8.290 nan 0.000 0.488 226 I N 0.338 120.815 120.570 -0.155 0.000 2.619 226 I HA 0.509 4.678 4.170 -0.001 0.000 0.292 226 I C -0.415 175.407 176.117 -0.493 0.000 1.100 226 I CA -0.937 60.238 61.300 -0.209 0.000 1.043 226 I CB 2.541 40.447 38.000 -0.157 0.000 1.239 226 I HN 0.288 nan 8.210 nan 0.000 0.420 227 R N 5.676 125.809 120.500 -0.611 0.000 2.310 227 R HA 0.514 4.854 4.340 -0.001 0.000 0.324 227 R C -1.613 174.472 176.300 -0.359 0.000 0.955 227 R CA -0.577 54.883 56.100 -1.067 0.000 0.830 227 R CB 1.467 30.988 30.300 -1.298 0.000 1.154 227 R HN 0.443 nan 8.270 nan 0.000 0.458 228 V N 4.717 124.497 119.914 -0.223 0.000 2.432 228 V HA 0.057 4.176 4.120 -0.001 0.000 0.271 228 V C 0.564 176.705 176.094 0.078 0.000 1.046 228 V CA -0.443 61.894 62.300 0.061 0.000 0.945 228 V CB 1.175 33.101 31.823 0.172 0.000 0.992 228 V HN 0.678 nan 8.190 nan 0.000 0.471 229 D N 3.998 124.480 120.400 0.136 0.000 2.313 229 D HA 0.510 5.150 4.640 -0.001 0.000 0.247 229 D C 0.794 177.177 176.300 0.138 0.000 1.094 229 D CA 0.538 54.629 54.000 0.151 0.000 0.925 229 D CB 1.024 41.940 40.800 0.192 0.000 1.188 229 D HN 1.020 nan 8.370 nan 0.000 0.430 230 A N 1.948 124.849 122.820 0.135 0.000 2.640 230 A HA -0.194 4.125 4.320 -0.001 0.000 0.300 230 A C 1.583 179.193 177.584 0.042 0.000 1.499 230 A CA 1.024 53.142 52.037 0.135 0.000 0.759 230 A CB -2.360 16.777 19.000 0.228 0.000 1.048 230 A HN 1.037 nan 8.150 nan 0.000 0.450 231 V N -2.060 117.859 119.914 0.008 0.000 2.568 231 V HA -0.206 3.913 4.120 -0.001 0.000 0.253 231 V C 1.922 177.810 176.094 -0.343 0.000 1.072 231 V CA 2.561 64.842 62.300 -0.031 0.000 1.084 231 V CB -0.672 31.213 31.823 0.103 0.000 0.676 231 V HN 0.677 nan 8.190 nan 0.000 0.469 232 K N -0.945 119.078 120.400 -0.628 0.000 2.439 232 K HA -0.089 4.230 4.320 -0.001 0.000 0.197 232 K C 1.309 177.355 176.600 -0.923 0.000 1.041 232 K CA 0.934 56.528 56.287 -1.156 0.000 0.970 232 K CB -0.084 31.556 32.500 -1.433 0.000 0.773 232 K HN 0.682 nan 8.250 nan 0.000 0.479 233 H N -0.921 118.007 119.070 -0.235 0.000 2.581 233 H HA 0.273 4.828 4.556 -0.001 0.000 0.275 233 H C -0.308 174.955 175.328 -0.108 0.000 1.126 233 H CA 0.010 55.957 56.048 -0.168 0.000 1.097 233 H CB 0.306 29.995 29.762 -0.122 0.000 1.626 233 H HN 0.100 nan 8.280 nan 0.000 0.565 234 M N 0.778 120.375 119.600 -0.004 0.000 2.572 234 M HA 0.374 4.854 4.480 -0.001 0.000 0.299 234 M C -2.630 173.712 176.300 0.070 0.000 1.205 234 M CA -1.875 53.443 55.300 0.030 0.000 0.876 234 M CB 2.889 35.518 32.600 0.047 0.000 1.728 234 M HN -0.204 nan 8.290 nan 0.000 0.458 235 P HA 0.018 nan 4.420 nan 0.000 0.268 235 P C 0.075 177.533 177.300 0.264 0.000 1.204 235 P CA -0.058 63.148 63.100 0.176 0.000 0.768 235 P CB 0.198 32.033 31.700 0.225 0.000 0.842 236 F N 3.681 123.766 119.950 0.225 0.000 2.126 236 F HA -0.142 4.384 4.527 -0.001 0.000 0.299 236 F C 2.004 177.924 175.800 0.201 0.000 1.096 236 F CA 2.207 60.394 58.000 0.312 0.000 1.255 236 F CB -0.959 38.252 39.000 0.352 0.000 0.997 236 F HN 0.335 nan 8.300 nan 0.000 0.479 237 G N -0.550 107.866 108.800 -0.639 0.000 2.422 237 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.218 237 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.218 237 G C 1.365 176.115 174.900 -0.250 0.000 1.146 237 G CA 0.648 45.352 45.100 -0.661 0.000 0.769 237 G HN 0.663 nan 8.290 nan 0.000 0.547 238 W N 1.135 122.338 121.300 -0.162 0.000 2.418 238 W HA 0.037 4.696 4.660 -0.001 0.000 0.292 238 W C 2.724 179.200 176.519 -0.073 0.000 1.213 238 W CA 1.285 58.578 57.345 -0.087 0.000 1.283 238 W CB 0.033 29.439 29.460 -0.090 0.000 1.119 238 W HN 0.258 nan 8.180 nan 0.000 0.542 239 Q N 0.247 120.045 119.800 -0.004 0.000 2.170 239 Q HA -0.247 4.093 4.340 -0.001 0.000 0.203 239 Q C 2.149 178.032 176.000 -0.195 0.000 0.976 239 Q CA 1.717 57.476 55.803 -0.073 0.000 0.858 239 Q CB -0.381 28.502 28.738 0.241 0.000 0.907 239 Q HN 0.317 nan 8.270 nan 0.000 0.433 240 K N 0.638 120.873 120.400 -0.275 0.000 2.148 240 K HA -0.134 4.186 4.320 -0.001 0.000 0.204 240 K C 2.192 178.633 176.600 -0.265 0.000 1.050 240 K CA 1.519 57.644 56.287 -0.270 0.000 0.942 240 K CB 0.040 32.319 32.500 -0.369 0.000 0.724 240 K HN 0.192 nan 8.250 nan 0.000 0.446 241 S N -0.199 115.307 115.700 -0.323 0.000 2.414 241 S HA -0.106 4.364 4.470 -0.001 0.000 0.227 241 S C 1.832 176.230 174.600 -0.337 0.000 1.022 241 S CA 0.276 58.303 58.200 -0.289 0.000 0.958 241 S CB -0.500 62.551 63.200 -0.249 0.000 0.797 241 S HN 0.374 nan 8.310 nan 0.000 0.493 242 F N 2.343 121.856 119.950 -0.728 0.000 2.102 242 F HA 0.079 4.605 4.527 -0.001 0.000 0.298 242 F C 2.333 177.904 175.800 -0.382 0.000 1.105 242 F CA 1.330 58.914 58.000 -0.693 0.000 1.239 242 F CB -0.432 37.909 39.000 -1.100 0.000 0.991 242 F HN 0.105 nan 8.300 nan 0.000 0.474 243 M N 0.454 119.820 119.600 -0.390 0.000 2.117 243 M HA -0.135 4.344 4.480 -0.001 0.000 0.262 243 M C 2.478 178.597 176.300 -0.301 0.000 1.065 243 M CA 1.703 56.783 55.300 -0.367 0.000 1.114 243 M CB -1.818 30.648 32.600 -0.224 0.000 1.361 243 M HN 0.306 nan 8.290 nan 0.000 0.408 244 A N -0.965 121.710 122.820 -0.242 0.000 1.972 244 A HA -0.135 4.184 4.320 -0.001 0.000 0.219 244 A C 2.238 179.724 177.584 -0.162 0.000 1.169 244 A CA 2.110 54.043 52.037 -0.173 0.000 0.635 244 A CB -0.983 17.934 19.000 -0.139 0.000 0.810 244 A HN 0.497 nan 8.150 nan 0.000 0.446 245 T N 0.138 114.560 114.554 -0.220 0.000 2.777 245 T HA -0.055 4.294 4.350 -0.001 0.000 0.266 245 T C 1.778 176.382 174.700 -0.159 0.000 1.040 245 T CA 1.462 63.452 62.100 -0.183 0.000 1.141 245 T CB -0.336 68.402 68.868 -0.218 0.000 0.868 245 T HN 0.438 nan 8.240 nan 0.000 0.444 246 I N 1.523 121.928 120.570 -0.275 0.000 2.133 246 I HA -0.172 3.998 4.170 -0.001 0.000 0.238 246 I C 2.383 178.455 176.117 -0.075 0.000 1.074 246 I CA 0.994 62.179 61.300 -0.192 0.000 1.342 246 I CB -0.327 37.463 38.000 -0.349 0.000 1.053 246 I HN 0.128 nan 8.210 nan 0.000 0.404 247 N N 1.054 119.690 118.700 -0.107 0.000 2.149 247 N HA -0.161 4.579 4.740 -0.001 0.000 0.188 247 N C 1.414 176.913 175.510 -0.019 0.000 1.019 247 N CA 1.214 54.230 53.050 -0.057 0.000 0.857 247 N CB -0.576 37.869 38.487 -0.071 0.000 0.997 247 N HN 0.349 nan 8.380 nan 0.000 0.426 248 N N -0.563 118.130 118.700 -0.011 0.000 2.463 248 N HA -0.057 4.682 4.740 -0.001 0.000 0.181 248 N C 1.227 176.785 175.510 0.080 0.000 1.078 248 N CA 0.204 53.265 53.050 0.019 0.000 0.902 248 N CB 0.086 38.577 38.487 0.007 0.000 0.970 248 N HN 0.466 nan 8.380 nan 0.000 0.451 249 Y N 0.624 120.884 120.300 -0.066 0.000 2.269 249 Y HA 0.221 4.770 4.550 -0.001 0.000 0.279 249 Y C -0.007 175.871 175.900 -0.037 0.000 1.118 249 Y CA 0.502 58.570 58.100 -0.053 0.000 1.145 249 Y CB 0.603 39.022 38.460 -0.068 0.000 1.081 249 Y HN -0.287 nan 8.280 nan 0.000 0.501 250 K N 2.056 122.308 120.400 -0.246 0.000 2.756 250 K HA 0.280 4.599 4.320 -0.001 0.000 0.218 250 K C -2.910 173.637 176.600 -0.088 0.000 1.057 250 K CA -2.155 53.959 56.287 -0.288 0.000 1.056 250 K CB 1.643 33.901 32.500 -0.403 0.000 1.235 250 K HN 0.084 nan 8.250 nan 0.000 0.547 251 P HA 0.033 nan 4.420 nan 0.000 0.271 251 P C -0.372 176.945 177.300 0.028 0.000 1.220 251 P CA -0.271 62.822 63.100 -0.011 0.000 0.768 251 P CB 1.108 32.813 31.700 0.008 0.000 0.848 252 V N 1.032 120.971 119.914 0.042 0.000 3.078 252 V HA 0.512 4.631 4.120 -0.001 0.000 0.311 252 V C -0.416 175.759 176.094 0.134 0.000 1.138 252 V CA -1.518 60.852 62.300 0.117 0.000 1.007 252 V CB 1.760 33.645 31.823 0.103 0.000 1.045 252 V HN 0.392 nan 8.190 nan 0.000 0.432 253 F N 2.063 122.028 119.950 0.025 0.000 2.602 253 F HA 0.519 5.045 4.527 -0.001 0.000 0.385 253 F C 0.379 176.138 175.800 -0.067 0.000 1.063 253 F CA 1.085 59.052 58.000 -0.055 0.000 1.233 253 F CB 0.483 39.368 39.000 -0.192 0.000 1.067 253 F HN 0.777 nan 8.300 nan 0.000 0.564 254 T N 7.882 122.112 114.554 -0.540 0.000 2.881 254 T HA 0.583 4.933 4.350 -0.001 0.000 0.290 254 T C -1.129 173.292 174.700 -0.465 0.000 1.000 254 T CA -0.371 61.466 62.100 -0.439 0.000 0.978 254 T CB 1.140 69.856 68.868 -0.254 0.000 0.997 254 T HN 0.507 nan 8.240 nan 0.000 0.443 255 F N -0.423 119.182 119.950 -0.575 0.000 2.662 255 F HA 0.940 5.466 4.527 -0.001 0.000 0.312 255 F C -0.111 175.594 175.800 -0.158 0.000 1.113 255 F CA -1.083 56.669 58.000 -0.413 0.000 0.951 255 F CB 1.196 39.850 39.000 -0.577 0.000 1.344 255 F HN 0.814 nan 8.300 nan 0.000 0.462 256 G N -0.118 108.742 108.800 0.099 0.000 2.866 256 G HA2 0.534 4.493 3.960 -0.001 0.000 0.289 256 G HA3 0.534 4.493 3.960 -0.001 0.000 0.289 256 G C -2.260 172.786 174.900 0.244 0.000 1.396 256 G CA -0.900 44.269 45.100 0.115 0.000 0.848 256 G HN 0.934 nan 8.290 nan 0.000 0.515 257 E N 0.200 120.548 120.200 0.247 0.000 2.182 257 E HA 0.235 4.585 4.350 -0.001 0.000 0.258 257 E C -1.306 175.490 176.600 0.326 0.000 0.879 257 E CA -0.897 55.693 56.400 0.316 0.000 0.754 257 E CB 1.262 31.151 29.700 0.316 0.000 1.162 257 E HN 0.472 nan 8.360 nan 0.000 0.419 258 W N 7.523 128.941 121.300 0.197 0.000 2.342 258 W HA 0.263 4.922 4.660 -0.001 0.000 0.310 258 W C -1.516 175.184 176.519 0.302 0.000 1.128 258 W CA -0.909 56.536 57.345 0.167 0.000 1.322 258 W CB 0.410 29.957 29.460 0.144 0.000 1.251 258 W HN 0.521 nan 8.180 nan 0.000 0.439 259 F N 6.322 126.356 119.950 0.140 0.000 2.412 259 F HA 0.347 4.873 4.527 -0.001 0.000 0.348 259 F C -0.343 175.553 175.800 0.160 0.000 1.102 259 F CA 0.089 58.185 58.000 0.160 0.000 1.196 259 F CB 0.694 39.723 39.000 0.049 0.000 1.144 259 F HN 0.109 nan 8.300 nan 0.000 0.541 260 L N 5.238 126.364 121.223 -0.162 0.000 2.346 260 L HA 0.559 4.899 4.340 -0.001 0.000 0.276 260 L C 0.541 177.363 176.870 -0.080 0.000 1.006 260 L CA -0.941 53.846 54.840 -0.088 0.000 0.817 260 L CB 1.615 43.494 42.059 -0.301 0.000 1.272 260 L HN 0.709 nan 8.230 nan 0.000 0.421 261 G N 0.709 109.569 108.800 0.100 0.000 2.616 261 G HA2 0.381 4.340 3.960 -0.001 0.000 0.268 261 G HA3 0.381 4.340 3.960 -0.001 0.000 0.268 261 G C 0.148 175.072 174.900 0.040 0.000 1.213 261 G CA -0.613 44.574 45.100 0.145 0.000 0.926 261 G HN 0.565 nan 8.290 nan 0.000 0.523 262 V N -0.483 119.464 119.914 0.055 0.000 2.536 262 V HA 0.014 4.134 4.120 -0.001 0.000 0.287 262 V C 0.804 176.895 176.094 -0.005 0.000 0.979 262 V CA 0.787 63.098 62.300 0.018 0.000 1.161 262 V CB -1.463 30.375 31.823 0.026 0.000 0.915 262 V HN 0.995 nan 8.190 nan 0.000 0.467 263 N N 0.294 118.977 118.700 -0.028 0.000 2.900 263 N HA -0.239 4.500 4.740 -0.001 0.000 0.240 263 N C 0.637 176.124 175.510 -0.039 0.000 0.953 263 N CA 1.346 54.376 53.050 -0.034 0.000 0.950 263 N CB -0.625 37.850 38.487 -0.020 0.000 1.102 263 N HN 1.026 nan 8.380 nan 0.000 0.593 264 E N 1.617 121.796 120.200 -0.035 0.000 1.802 264 E HA 0.137 4.486 4.350 -0.001 0.000 0.265 264 E C -0.689 175.864 176.600 -0.079 0.000 1.168 264 E CA -0.141 56.243 56.400 -0.027 0.000 1.033 264 E CB -0.024 29.683 29.700 0.011 0.000 1.095 264 E HN 0.229 nan 8.360 nan 0.000 0.436 265 I N 2.167 122.671 120.570 -0.110 0.000 2.428 265 I HA 0.051 4.220 4.170 -0.001 0.000 0.289 265 I C 0.602 176.632 176.117 -0.146 0.000 1.019 265 I CA -0.005 61.157 61.300 -0.230 0.000 1.351 265 I CB 1.688 39.575 38.000 -0.188 0.000 1.412 265 I HN 0.201 nan 8.210 nan 0.000 0.513 266 S N 6.000 121.574 115.700 -0.209 0.000 2.565 266 S HA 0.507 4.977 4.470 -0.001 0.000 0.290 266 S C -1.847 172.680 174.600 -0.123 0.000 1.150 266 S CA -1.560 56.593 58.200 -0.079 0.000 1.058 266 S CB 1.261 64.490 63.200 0.048 0.000 1.032 266 S HN 0.341 nan 8.310 nan 0.000 0.510 267 P HA 0.004 nan 4.420 nan 0.000 0.215 267 P C 0.775 178.029 177.300 -0.077 0.000 1.157 267 P CA 1.004 64.125 63.100 0.035 0.000 0.859 267 P CB 0.093 31.815 31.700 0.038 0.000 0.786 268 E N -1.440 118.666 120.200 -0.157 0.000 2.160 268 E HA -0.223 4.127 4.350 -0.001 0.000 0.195 268 E C 1.901 177.996 176.600 -0.841 0.000 0.991 268 E CA 0.924 57.123 56.400 -0.335 0.000 0.810 268 E CB -1.235 28.354 29.700 -0.184 0.000 0.742 268 E HN 0.366 nan 8.360 nan 0.000 0.466 269 Y N 0.845 120.440 120.300 -1.176 0.000 2.097 269 Y HA -0.322 4.228 4.550 -0.001 0.000 0.282 269 Y C 2.136 177.709 175.900 -0.546 0.000 1.152 269 Y CA 2.075 59.382 58.100 -1.322 0.000 1.136 269 Y CB -0.117 37.785 38.460 -0.931 0.000 0.975 269 Y HN 0.176 nan 8.280 nan 0.000 0.498 270 H N -0.692 118.269 119.070 -0.182 0.000 2.395 270 H HA -0.101 4.454 4.556 -0.001 0.000 0.299 270 H C 2.169 177.417 175.328 -0.134 0.000 1.070 270 H CA 1.542 57.512 56.048 -0.131 0.000 1.356 270 H CB -0.519 29.201 29.762 -0.070 0.000 1.401 270 H HN 0.391 nan 8.280 nan 0.000 0.524 271 Q N 0.558 120.327 119.800 -0.051 0.000 2.002 271 Q HA -0.163 4.176 4.340 -0.001 0.000 0.204 271 Q C 2.271 178.225 176.000 -0.076 0.000 0.988 271 Q CA 1.729 57.486 55.803 -0.078 0.000 0.843 271 Q CB -0.687 27.979 28.738 -0.120 0.000 0.908 271 Q HN 0.363 nan 8.270 nan 0.000 0.420 272 F N 0.233 120.020 119.950 -0.271 0.000 2.095 272 F HA -0.176 4.350 4.527 -0.001 0.000 0.298 272 F C 1.924 177.679 175.800 -0.074 0.000 1.104 272 F CA 1.744 59.656 58.000 -0.148 0.000 1.232 272 F CB -0.675 38.221 39.000 -0.174 0.000 0.987 272 F HN 0.157 nan 8.300 nan 0.000 0.475 273 A N 0.161 122.998 122.820 0.028 0.000 2.076 273 A HA -0.206 4.114 4.320 -0.001 0.000 0.220 273 A C 1.844 179.421 177.584 -0.011 0.000 1.160 273 A CA 1.992 54.032 52.037 0.004 0.000 0.653 273 A CB -0.712 18.325 19.000 0.062 0.000 0.801 273 A HN 0.575 nan 8.150 nan 0.000 0.455 274 N N -1.359 117.331 118.700 -0.017 0.000 2.415 274 N HA 0.026 4.766 4.740 -0.001 0.000 0.174 274 N C 1.496 176.976 175.510 -0.051 0.000 1.048 274 N CA 1.063 54.105 53.050 -0.013 0.000 0.895 274 N CB 0.011 38.499 38.487 0.001 0.000 1.036 274 N HN 0.515 nan 8.380 nan 0.000 0.449 275 E N 0.375 120.525 120.200 -0.085 0.000 2.201 275 E HA 0.058 4.408 4.350 -0.001 0.000 0.193 275 E C 1.863 178.459 176.600 -0.006 0.000 0.957 275 E CA 0.442 56.818 56.400 -0.040 0.000 0.858 275 E CB 0.062 29.722 29.700 -0.067 0.000 0.816 275 E HN 0.256 nan 8.360 nan 0.000 0.475 276 S N -1.018 114.588 115.700 -0.157 0.000 2.382 276 S HA -0.026 4.444 4.470 -0.001 0.000 0.228 276 S C 1.823 176.309 174.600 -0.190 0.000 1.027 276 S CA 1.103 59.165 58.200 -0.230 0.000 0.991 276 S CB -0.263 62.431 63.200 -0.842 0.000 0.823 276 S HN 0.405 nan 8.310 nan 0.000 0.469 277 G N 1.137 109.826 108.800 -0.185 0.000 2.184 277 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.206 277 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.206 277 G C -0.103 174.713 174.900 -0.140 0.000 0.995 277 G CA 0.049 45.062 45.100 -0.145 0.000 0.651 277 G HN 0.943 nan 8.290 nan 0.000 0.511 278 M N -0.189 119.301 119.600 -0.183 0.000 2.602 278 M HA 0.869 5.348 4.480 -0.001 0.000 0.312 278 M C 0.006 176.250 176.300 -0.093 0.000 1.181 278 M CA -0.806 54.410 55.300 -0.141 0.000 0.910 278 M CB 2.020 34.551 32.600 -0.115 0.000 1.723 278 M HN 0.007 nan 8.290 nan 0.000 0.459 279 S N 1.867 117.531 115.700 -0.061 0.000 2.632 279 S HA 0.715 5.184 4.470 -0.001 0.000 0.267 279 S C -0.324 174.321 174.600 0.076 0.000 1.276 279 S CA -0.805 57.393 58.200 -0.003 0.000 0.998 279 S CB 0.857 64.047 63.200 -0.018 0.000 0.953 279 S HN 0.605 nan 8.310 nan 0.000 0.547 280 L N 0.888 122.159 121.223 0.081 0.000 2.301 280 L HA 0.517 4.856 4.340 -0.001 0.000 0.264 280 L C -0.756 176.233 176.870 0.198 0.000 1.016 280 L CA -0.950 53.991 54.840 0.169 0.000 0.821 280 L CB 1.275 43.385 42.059 0.085 0.000 1.346 280 L HN 0.447 nan 8.230 nan 0.000 0.429 281 L N 1.539 122.956 121.223 0.324 0.000 2.410 281 L HA 0.065 4.404 4.340 -0.001 0.000 0.273 281 L C 0.159 177.325 176.870 0.493 0.000 1.144 281 L CA -0.035 55.047 54.840 0.403 0.000 0.863 281 L CB 0.318 42.616 42.059 0.398 0.000 1.140 281 L HN 0.474 nan 8.230 nan 0.000 0.463 282 D N 3.985 124.642 120.400 0.428 0.000 2.489 282 D HA -0.011 4.628 4.640 -0.001 0.000 0.237 282 D C 1.088 177.611 176.300 0.371 0.000 1.212 282 D CA -0.030 54.193 54.000 0.372 0.000 1.058 282 D CB 0.682 41.558 40.800 0.127 0.000 1.098 282 D HN 0.381 nan 8.370 nan 0.000 0.509 283 L N 2.758 124.232 121.223 0.419 0.000 2.131 283 L HA -0.122 4.217 4.340 -0.001 0.000 0.210 283 L C 2.282 179.179 176.870 0.045 0.000 1.092 283 L CA 1.201 56.149 54.840 0.181 0.000 0.759 283 L CB -0.547 41.509 42.059 -0.005 0.000 0.903 283 L HN 0.437 nan 8.230 nan 0.000 0.435 284 R N -1.016 119.557 120.500 0.122 0.000 2.092 284 R HA -0.212 4.127 4.340 -0.001 0.000 0.231 284 R C 2.406 178.787 176.300 0.136 0.000 1.119 284 R CA 1.293 57.451 56.100 0.097 0.000 0.970 284 R CB -0.328 30.074 30.300 0.170 0.000 0.864 284 R HN 0.186 nan 8.270 nan 0.000 0.440 285 F N 0.905 120.884 119.950 0.048 0.000 2.051 285 F HA -0.170 4.357 4.527 -0.001 0.000 0.296 285 F C 2.173 177.941 175.800 -0.052 0.000 1.122 285 F CA 1.873 59.889 58.000 0.027 0.000 1.201 285 F CB -0.477 38.517 39.000 -0.009 0.000 0.978 285 F HN 0.099 nan 8.300 nan 0.000 0.472 286 A N -0.082 122.747 122.820 0.016 0.000 1.908 286 A HA -0.253 4.066 4.320 -0.001 0.000 0.218 286 A C 2.116 179.668 177.584 -0.054 0.000 1.181 286 A CA 1.945 53.872 52.037 -0.183 0.000 0.627 286 A CB -0.955 17.616 19.000 -0.714 0.000 0.818 286 A HN 0.646 nan 8.150 nan 0.000 0.445 287 Q N -1.017 118.756 119.800 -0.044 0.000 2.050 287 Q HA -0.217 4.122 4.340 -0.001 0.000 0.202 287 Q C 2.251 178.236 176.000 -0.026 0.000 0.980 287 Q CA 1.823 57.615 55.803 -0.018 0.000 0.840 287 Q CB -0.171 28.546 28.738 -0.035 0.000 0.898 287 Q HN 0.506 nan 8.270 nan 0.000 0.424 288 K N 0.753 121.121 120.400 -0.053 0.000 2.057 288 K HA -0.055 4.264 4.320 -0.001 0.000 0.206 288 K C 1.788 178.321 176.600 -0.111 0.000 1.050 288 K CA 1.323 57.558 56.287 -0.087 0.000 0.935 288 K CB -0.485 31.958 32.500 -0.095 0.000 0.715 288 K HN 0.192 nan 8.250 nan 0.000 0.439 289 A N 0.778 123.541 122.820 -0.096 0.000 1.940 289 A HA -0.179 4.140 4.320 -0.001 0.000 0.219 289 A C 2.098 179.828 177.584 0.243 0.000 1.176 289 A CA 1.767 53.844 52.037 0.067 0.000 0.631 289 A CB -0.440 18.624 19.000 0.105 0.000 0.814 289 A HN 0.355 nan 8.150 nan 0.000 0.446 290 R N -0.836 119.782 120.500 0.197 0.000 2.115 290 R HA -0.057 4.283 4.340 -0.001 0.000 0.226 290 R C 2.396 178.706 176.300 0.015 0.000 1.100 290 R CA 1.313 57.516 56.100 0.171 0.000 0.980 290 R CB -0.258 30.106 30.300 0.106 0.000 0.875 290 R HN 0.665 nan 8.270 nan 0.000 0.445 291 Q N -0.013 119.770 119.800 -0.029 0.000 2.119 291 Q HA -0.097 4.243 4.340 -0.001 0.000 0.201 291 Q C 2.033 177.959 176.000 -0.122 0.000 0.972 291 Q CA 1.305 57.065 55.803 -0.072 0.000 0.847 291 Q CB 0.219 28.914 28.738 -0.073 0.000 0.903 291 Q HN 0.181 nan 8.270 nan 0.000 0.433 292 V N -0.737 119.053 119.914 -0.207 0.000 2.374 292 V HA -0.107 4.012 4.120 -0.001 0.000 0.241 292 V C 1.521 177.373 176.094 -0.404 0.000 1.034 292 V CA 1.400 63.464 62.300 -0.392 0.000 1.037 292 V CB -0.287 31.149 31.823 -0.645 0.000 0.682 292 V HN 0.250 nan 8.190 nan 0.000 0.463 293 F N -0.534 119.430 119.950 0.023 0.000 2.569 293 F HA 0.167 4.694 4.527 -0.001 0.000 0.295 293 F C 2.455 178.341 175.800 0.143 0.000 1.115 293 F CA 0.809 58.889 58.000 0.134 0.000 1.450 293 F CB 0.138 39.305 39.000 0.278 0.000 1.107 293 F HN -0.072 nan 8.300 nan 0.000 0.563 294 R N -0.041 120.515 120.500 0.093 0.000 2.144 294 R HA 0.031 4.371 4.340 -0.001 0.000 0.195 294 R C 0.845 177.047 176.300 -0.163 0.000 1.077 294 R CA 0.853 56.802 56.100 -0.252 0.000 1.120 294 R CB 0.204 30.047 30.300 -0.763 0.000 1.060 294 R HN 0.060 nan 8.270 nan 0.000 0.520 295 D N 0.305 120.632 120.400 -0.122 0.000 2.407 295 D HA 0.059 4.699 4.640 -0.001 0.000 0.208 295 D C -0.493 175.768 176.300 -0.066 0.000 1.083 295 D CA 0.023 53.967 54.000 -0.094 0.000 0.844 295 D CB 0.196 40.944 40.800 -0.085 0.000 0.967 295 D HN 0.117 nan 8.370 nan 0.000 0.506 296 N N 0.697 119.358 118.700 -0.066 0.000 2.699 296 N HA -0.164 4.576 4.740 -0.001 0.000 0.256 296 N C 0.540 176.017 175.510 -0.055 0.000 0.993 296 N CA 1.211 54.223 53.050 -0.063 0.000 0.759 296 N CB -1.581 36.881 38.487 -0.041 0.000 0.906 296 N HN 0.291 nan 8.380 nan 0.000 0.541 297 T N -5.384 109.134 114.554 -0.061 0.000 3.054 297 T HA 0.223 4.573 4.350 -0.001 0.000 0.255 297 T C 0.259 174.928 174.700 -0.051 0.000 1.035 297 T CA -0.032 62.039 62.100 -0.048 0.000 0.941 297 T CB 0.865 69.707 68.868 -0.042 0.000 1.026 297 T HN 0.254 nan 8.240 nan 0.000 0.533 298 D N 0.975 121.332 120.400 -0.072 0.000 2.626 298 D HA 0.459 5.098 4.640 -0.001 0.000 0.278 298 D C -1.305 174.936 176.300 -0.097 0.000 1.211 298 D CA -0.596 53.362 54.000 -0.069 0.000 0.903 298 D CB 1.893 42.650 40.800 -0.072 0.000 1.408 298 D HN 0.281 nan 8.370 nan 0.000 0.454 299 N N -0.734 117.917 118.700 -0.082 0.000 3.091 299 N HA 0.258 4.998 4.740 -0.001 0.000 0.329 299 N C 0.717 176.136 175.510 -0.153 0.000 1.430 299 N CA -0.520 52.464 53.050 -0.109 0.000 0.755 299 N CB 0.266 38.732 38.487 -0.036 0.000 1.626 299 N HN 0.179 nan 8.380 nan 0.000 0.614 300 M N -0.815 118.665 119.600 -0.200 0.000 2.446 300 M HA -0.037 4.442 4.480 -0.001 0.000 0.263 300 M C 0.879 177.014 176.300 -0.275 0.000 1.066 300 M CA 1.337 56.474 55.300 -0.272 0.000 1.087 300 M CB -1.242 31.187 32.600 -0.284 0.000 1.406 300 M HN 0.558 nan 8.290 nan 0.000 0.459 301 Y N -0.229 120.025 120.300 -0.077 0.000 2.314 301 Y HA -0.048 4.501 4.550 -0.001 0.000 0.293 301 Y C 2.551 178.414 175.900 -0.062 0.000 1.129 301 Y CA 1.000 59.065 58.100 -0.059 0.000 1.201 301 Y CB -0.585 37.842 38.460 -0.055 0.000 0.999 301 Y HN 0.308 nan 8.280 nan 0.000 0.541 302 G N -0.104 108.732 108.800 0.060 0.000 2.418 302 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.217 302 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.217 302 G C 1.558 176.430 174.900 -0.046 0.000 1.158 302 G CA 0.969 46.067 45.100 -0.005 0.000 0.771 302 G HN 0.307 nan 8.290 nan 0.000 0.545 303 L N 0.568 121.722 121.223 -0.115 0.000 2.056 303 L HA 0.121 4.461 4.340 -0.001 0.000 0.207 303 L C 2.741 179.580 176.870 -0.051 0.000 1.078 303 L CA 2.213 56.966 54.840 -0.144 0.000 0.749 303 L CB -0.363 41.517 42.059 -0.298 0.000 0.901 303 L HN 0.247 nan 8.230 nan 0.000 0.433 304 K N -0.550 119.831 120.400 -0.032 0.000 2.032 304 K HA -0.211 4.108 4.320 -0.001 0.000 0.209 304 K C 1.960 178.592 176.600 0.053 0.000 1.048 304 K CA 1.546 57.848 56.287 0.025 0.000 0.927 304 K CB -0.274 32.246 32.500 0.032 0.000 0.712 304 K HN 0.396 nan 8.250 nan 0.000 0.441 305 A N 1.682 124.537 122.820 0.058 0.000 1.933 305 A HA -0.172 4.147 4.320 -0.001 0.000 0.218 305 A C 2.146 179.755 177.584 0.043 0.000 1.175 305 A CA 1.579 53.648 52.037 0.052 0.000 0.628 305 A CB -0.561 18.468 19.000 0.048 0.000 0.814 305 A HN 0.501 nan 8.150 nan 0.000 0.444 306 M N -0.179 119.444 119.600 0.039 0.000 2.175 306 M HA -0.027 4.452 4.480 -0.001 0.000 0.264 306 M C 1.769 178.129 176.300 0.099 0.000 1.063 306 M CA 1.674 57.012 55.300 0.063 0.000 1.119 306 M CB -0.843 31.785 32.600 0.047 0.000 1.377 306 M HN 0.405 nan 8.290 nan 0.000 0.415 307 L N -0.309 120.969 121.223 0.091 0.000 2.291 307 L HA -0.125 4.214 4.340 -0.001 0.000 0.214 307 L C 2.113 179.030 176.870 0.078 0.000 1.120 307 L CA 0.770 55.672 54.840 0.104 0.000 0.799 307 L CB -0.400 41.703 42.059 0.074 0.000 0.925 307 L HN 0.333 nan 8.230 nan 0.000 0.446 308 E N -0.102 120.137 120.200 0.064 0.000 2.122 308 E HA -0.085 4.265 4.350 -0.001 0.000 0.190 308 E C 2.257 178.881 176.600 0.041 0.000 0.977 308 E CA 0.786 57.218 56.400 0.052 0.000 0.820 308 E CB -0.147 29.585 29.700 0.052 0.000 0.770 308 E HN 0.480 nan 8.360 nan 0.000 0.462 309 G N 1.156 109.977 108.800 0.035 0.000 2.418 309 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.217 309 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.217 309 G C 1.744 176.641 174.900 -0.004 0.000 1.158 309 G CA 1.192 46.292 45.100 -0.001 0.000 0.771 309 G HN 0.358 nan 8.290 nan 0.000 0.545 310 S N 0.843 116.594 115.700 0.086 0.000 2.383 310 S HA -0.074 4.396 4.470 -0.001 0.000 0.227 310 S C 1.902 176.630 174.600 0.212 0.000 1.026 310 S CA 1.430 59.754 58.200 0.208 0.000 0.981 310 S CB -0.342 63.099 63.200 0.401 0.000 0.818 310 S HN 0.573 nan 8.310 nan 0.000 0.472 311 E N 0.398 120.673 120.200 0.125 0.000 2.265 311 E HA -0.054 4.295 4.350 -0.001 0.000 0.196 311 E C 1.902 178.540 176.600 0.063 0.000 0.996 311 E CA 1.125 57.582 56.400 0.095 0.000 0.832 311 E CB -0.108 29.626 29.700 0.058 0.000 0.756 311 E HN 0.463 nan 8.360 nan 0.000 0.491 312 V N 1.045 120.974 119.914 0.024 0.000 3.570 312 V HA -0.033 4.086 4.120 -0.001 0.000 0.257 312 V C 1.144 177.198 176.094 -0.067 0.000 1.272 312 V CA 1.025 63.316 62.300 -0.014 0.000 1.079 312 V CB 0.483 32.296 31.823 -0.017 0.000 0.829 312 V HN 0.240 nan 8.190 nan 0.000 0.454 313 D N -1.484 118.829 120.400 -0.144 0.000 2.363 313 D HA 0.026 4.665 4.640 -0.001 0.000 0.214 313 D C -0.338 175.729 176.300 -0.388 0.000 1.093 313 D CA -0.160 53.655 54.000 -0.307 0.000 0.837 313 D CB 0.086 40.615 40.800 -0.452 0.000 0.948 313 D HN 0.442 nan 8.370 nan 0.000 0.507 314 Y N -0.159 120.101 120.300 -0.068 0.000 2.409 314 Y HA 0.537 5.087 4.550 -0.001 0.000 0.343 314 Y C 1.156 177.038 175.900 -0.029 0.000 0.973 314 Y CA -0.831 57.255 58.100 -0.024 0.000 1.064 314 Y CB 2.301 40.775 38.460 0.024 0.000 1.207 314 Y HN -0.098 nan 8.280 nan 0.000 0.452 315 A N 1.892 124.797 122.820 0.142 0.000 1.970 315 A HA -0.048 4.272 4.320 -0.001 0.000 0.216 315 A C 0.242 177.837 177.584 0.019 0.000 1.170 315 A CA 0.906 52.968 52.037 0.040 0.000 0.645 315 A CB -0.217 18.794 19.000 0.019 0.000 0.816 315 A HN 0.667 nan 8.150 nan 0.000 0.447 316 Q N -0.654 119.196 119.800 0.083 0.000 2.798 316 Q HA 0.519 4.858 4.340 -0.001 0.000 0.250 316 Q C 0.025 176.061 176.000 0.059 0.000 1.006 316 Q CA -0.263 55.596 55.803 0.094 0.000 0.759 316 Q CB 0.299 29.122 28.738 0.141 0.000 1.201 316 Q HN -0.019 nan 8.270 nan 0.000 0.486 317 V N 1.389 121.339 119.914 0.061 0.000 2.667 317 V HA -0.177 3.942 4.120 -0.001 0.000 0.252 317 V C 0.686 176.750 176.094 -0.051 0.000 1.065 317 V CA 1.499 63.786 62.300 -0.022 0.000 1.083 317 V CB -0.013 31.861 31.823 0.085 0.000 0.692 317 V HN 0.666 nan 8.190 nan 0.000 0.468 318 N N 0.618 119.335 118.700 0.028 0.000 2.571 318 N HA -0.058 4.681 4.740 -0.001 0.000 0.189 318 N C 0.907 176.413 175.510 -0.007 0.000 1.154 318 N CA 0.947 54.008 53.050 0.019 0.000 0.907 318 N CB -0.114 38.441 38.487 0.113 0.000 0.977 318 N HN 0.548 nan 8.380 nan 0.000 0.449 319 D N -0.383 120.031 120.400 0.023 0.000 2.433 319 D HA 0.048 4.688 4.640 -0.001 0.000 0.211 319 D C -0.038 176.293 176.300 0.051 0.000 1.114 319 D CA 0.103 54.165 54.000 0.102 0.000 0.837 319 D CB 0.480 41.418 40.800 0.230 0.000 0.984 319 D HN 0.069 nan 8.370 nan 0.000 0.505 320 Q N 0.844 120.576 119.800 -0.113 0.000 2.288 320 Q HA 0.258 4.597 4.340 -0.001 0.000 0.254 320 Q C -0.009 175.894 176.000 -0.161 0.000 0.932 320 Q CA -0.321 55.371 55.803 -0.185 0.000 0.902 320 Q CB 2.213 30.698 28.738 -0.421 0.000 1.203 320 Q HN -0.099 nan 8.270 nan 0.000 0.415 321 V N 3.138 122.983 119.914 -0.115 0.000 2.432 321 V HA 0.351 4.471 4.120 -0.001 0.000 0.275 321 V C 0.517 176.624 176.094 0.023 0.000 1.043 321 V CA -0.385 61.834 62.300 -0.134 0.000 0.925 321 V CB 1.129 32.742 31.823 -0.350 0.000 0.985 321 V HN 0.915 nan 8.190 nan 0.000 0.466 322 T N 2.516 117.011 114.554 -0.098 0.000 2.952 322 T HA 0.926 5.275 4.350 -0.001 0.000 0.286 322 T C -0.704 174.103 174.700 0.177 0.000 1.024 322 T CA -0.608 61.343 62.100 -0.249 0.000 1.029 322 T CB 2.011 70.195 68.868 -1.140 0.000 1.094 322 T HN 0.721 nan 8.240 nan 0.000 0.515 323 F N -1.291 118.715 119.950 0.094 0.000 2.807 323 F HA 0.563 5.090 4.527 -0.001 0.000 0.316 323 F C -0.153 175.840 175.800 0.320 0.000 1.162 323 F CA -1.336 56.786 58.000 0.203 0.000 0.910 323 F CB 0.675 39.807 39.000 0.220 0.000 1.314 323 F HN 0.562 nan 8.300 nan 0.000 0.454 324 I N -2.026 118.737 120.570 0.322 0.000 4.312 324 I HA 0.445 4.615 4.170 -0.001 0.000 0.324 324 I C -0.853 175.504 176.117 0.400 0.000 1.298 324 I CA 0.039 61.490 61.300 0.253 0.000 1.231 324 I CB 0.652 38.695 38.000 0.072 0.000 1.152 324 I HN 0.595 nan 8.210 nan 0.000 0.421 325 D N 0.863 121.545 120.400 0.470 0.000 2.615 325 D HA 0.468 5.107 4.640 -0.001 0.000 0.267 325 D C -0.966 175.464 176.300 0.216 0.000 1.236 325 D CA -0.615 53.625 54.000 0.400 0.000 0.839 325 D CB 1.038 42.047 40.800 0.348 0.000 1.380 325 D HN 0.267 nan 8.370 nan 0.000 0.433 326 N N -2.510 116.092 118.700 -0.163 0.000 3.449 326 N HA 0.093 4.832 4.740 -0.001 0.000 0.312 326 N C 0.817 175.801 175.510 -0.877 0.000 1.557 326 N CA -0.520 52.057 53.050 -0.789 0.000 0.864 326 N CB -0.178 37.979 38.487 -0.549 0.000 1.799 326 N HN 0.555 nan 8.380 nan 0.000 0.554 327 H N -1.771 116.869 119.070 -0.716 0.000 2.541 327 H HA 0.020 4.576 4.556 -0.001 0.000 0.289 327 H C -0.631 174.667 175.328 -0.050 0.000 1.054 327 H CA 1.288 57.196 56.048 -0.233 0.000 1.250 327 H CB -0.220 29.639 29.762 0.162 0.000 1.369 327 H HN 0.488 nan 8.280 nan 0.000 0.578 328 D N 0.187 120.356 120.400 -0.385 0.000 2.363 328 D HA 0.258 4.897 4.640 -0.001 0.000 0.214 328 D C 0.373 176.658 176.300 -0.025 0.000 1.093 328 D CA 0.131 54.035 54.000 -0.160 0.000 0.837 328 D CB 0.551 41.261 40.800 -0.151 0.000 0.948 328 D HN 0.385 nan 8.370 nan 0.000 0.507 329 M N -0.096 119.506 119.600 0.004 0.000 2.631 329 M HA 0.281 4.760 4.480 -0.001 0.000 0.288 329 M C -0.312 176.033 176.300 0.075 0.000 1.260 329 M CA -0.856 54.494 55.300 0.085 0.000 0.842 329 M CB 2.747 35.449 32.600 0.170 0.000 1.743 329 M HN -0.309 nan 8.290 nan 0.000 0.461 330 E N 1.723 121.970 120.200 0.079 0.000 2.415 330 E HA 0.091 4.440 4.350 -0.001 0.000 0.262 330 E C -0.496 176.176 176.600 0.120 0.000 1.038 330 E CA -0.104 56.339 56.400 0.073 0.000 0.921 330 E CB 0.533 30.257 29.700 0.041 0.000 0.950 330 E HN 0.285 nan 8.360 nan 0.000 0.438 331 R N 1.801 122.382 120.500 0.134 0.000 2.698 331 R HA -0.073 4.266 4.340 -0.001 0.000 0.266 331 R C 0.909 177.342 176.300 0.222 0.000 1.026 331 R CA 0.251 56.473 56.100 0.203 0.000 1.102 331 R CB 0.091 30.493 30.300 0.170 0.000 0.978 331 R HN 0.642 nan 8.270 nan 0.000 0.436 332 F N 1.759 121.801 119.950 0.152 0.000 2.102 332 F HA -0.175 4.352 4.527 -0.001 0.000 0.298 332 F C 1.320 177.216 175.800 0.160 0.000 1.105 332 F CA 1.313 59.405 58.000 0.152 0.000 1.239 332 F CB -0.181 38.923 39.000 0.174 0.000 0.991 332 F HN 0.545 nan 8.300 nan 0.000 0.474 333 H N 1.271 120.583 119.070 0.403 0.000 2.899 333 H HA 0.219 4.774 4.556 -0.001 0.000 0.303 333 H C 0.172 175.582 175.328 0.136 0.000 1.042 333 H CA -0.072 56.148 56.048 0.286 0.000 1.479 333 H CB 0.335 30.271 29.762 0.289 0.000 1.493 333 H HN 0.247 nan 8.280 nan 0.000 0.534 334 T N 0.788 115.098 114.554 -0.407 0.000 2.880 334 T HA 0.246 4.596 4.350 -0.001 0.000 0.279 334 T C 1.555 175.987 174.700 -0.446 0.000 0.990 334 T CA -0.219 61.688 62.100 -0.322 0.000 0.938 334 T CB 0.761 69.518 68.868 -0.186 0.000 1.206 334 T HN 0.577 nan 8.240 nan 0.000 0.573 335 S N 1.378 116.951 115.700 -0.213 0.000 2.345 335 S HA -0.150 4.320 4.470 -0.001 0.000 0.220 335 S C 1.376 175.921 174.600 -0.092 0.000 1.031 335 S CA 1.086 59.209 58.200 -0.129 0.000 0.996 335 S CB -1.073 62.089 63.200 -0.064 0.000 0.882 335 S HN 0.884 nan 8.310 nan 0.000 0.445 336 N N 2.121 120.773 118.700 -0.081 0.000 2.322 336 N HA 0.330 5.070 4.740 -0.001 0.000 0.216 336 N C 0.228 175.718 175.510 -0.033 0.000 1.144 336 N CA 0.198 53.224 53.050 -0.040 0.000 0.830 336 N CB -0.196 38.273 38.487 -0.031 0.000 1.034 336 N HN 0.478 nan 8.380 nan 0.000 0.484 337 G N -0.474 108.285 108.800 -0.069 0.000 2.367 337 G HA2 0.258 4.217 3.960 -0.001 0.000 0.314 337 G HA3 0.258 4.217 3.960 -0.001 0.000 0.314 337 G C -1.095 173.897 174.900 0.152 0.000 1.130 337 G CA -0.574 44.525 45.100 -0.003 0.000 0.864 337 G HN 0.205 nan 8.290 nan 0.000 0.486 338 D N 0.488 120.980 120.400 0.153 0.000 2.383 338 D HA 0.093 4.733 4.640 -0.001 0.000 0.252 338 D C 1.648 178.093 176.300 0.242 0.000 1.166 338 D CA -0.241 53.858 54.000 0.165 0.000 0.879 338 D CB 0.849 41.718 40.800 0.115 0.000 1.164 338 D HN 0.332 nan 8.370 nan 0.000 0.462 339 R N 2.474 123.076 120.500 0.169 0.000 2.200 339 R HA -0.152 4.187 4.340 -0.001 0.000 0.234 339 R C 1.671 178.079 176.300 0.180 0.000 1.127 339 R CA 0.733 56.899 56.100 0.111 0.000 0.989 339 R CB -0.022 30.166 30.300 -0.187 0.000 0.869 339 R HN 0.301 nan 8.270 nan 0.000 0.459 340 R N 1.753 122.336 120.500 0.139 0.000 2.115 340 R HA -0.072 4.267 4.340 -0.001 0.000 0.230 340 R C 1.472 177.870 176.300 0.162 0.000 1.111 340 R CA 1.571 57.747 56.100 0.125 0.000 0.976 340 R CB -0.088 30.270 30.300 0.097 0.000 0.870 340 R HN 0.098 nan 8.270 nan 0.000 0.445 341 K N -0.167 120.378 120.400 0.243 0.000 2.057 341 K HA -0.160 4.159 4.320 -0.001 0.000 0.207 341 K C 1.940 178.757 176.600 0.362 0.000 1.049 341 K CA 1.616 58.115 56.287 0.353 0.000 0.931 341 K CB -0.377 32.376 32.500 0.421 0.000 0.714 341 K HN 0.126 nan 8.250 nan 0.000 0.440 342 L N 1.905 123.342 121.223 0.358 0.000 2.017 342 L HA -0.176 4.163 4.340 -0.001 0.000 0.208 342 L C 1.788 178.601 176.870 -0.096 0.000 1.073 342 L CA 1.824 56.695 54.840 0.053 0.000 0.745 342 L CB -0.270 41.897 42.059 0.181 0.000 0.894 342 L HN 0.102 nan 8.230 nan 0.000 0.432 343 E N -0.792 119.421 120.200 0.021 0.000 2.118 343 E HA -0.264 4.085 4.350 -0.001 0.000 0.195 343 E C 2.184 178.732 176.600 -0.088 0.000 0.992 343 E CA 1.589 57.978 56.400 -0.018 0.000 0.804 343 E CB -0.166 29.565 29.700 0.051 0.000 0.741 343 E HN 0.659 nan 8.360 nan 0.000 0.458 344 Q N 0.039 119.773 119.800 -0.111 0.000 2.079 344 Q HA -0.093 4.247 4.340 -0.001 0.000 0.200 344 Q C 2.366 178.079 176.000 -0.478 0.000 0.974 344 Q CA 1.150 56.809 55.803 -0.238 0.000 0.840 344 Q CB -0.167 28.439 28.738 -0.221 0.000 0.898 344 Q HN 0.270 nan 8.270 nan 0.000 0.430 345 A N 1.189 123.666 122.820 -0.572 0.000 1.908 345 A HA -0.175 4.144 4.320 -0.001 0.000 0.218 345 A C 2.107 179.534 177.584 -0.262 0.000 1.181 345 A CA 1.145 52.831 52.037 -0.585 0.000 0.627 345 A CB -0.714 17.830 19.000 -0.760 0.000 0.818 345 A HN 0.269 nan 8.150 nan 0.000 0.445 346 L N -0.987 120.094 121.223 -0.237 0.000 2.017 346 L HA -0.198 4.142 4.340 -0.001 0.000 0.208 346 L C 3.132 179.960 176.870 -0.069 0.000 1.073 346 L CA 1.148 55.915 54.840 -0.123 0.000 0.745 346 L CB -0.547 41.440 42.059 -0.120 0.000 0.894 346 L HN 0.449 nan 8.230 nan 0.000 0.432 347 A N -0.402 122.373 122.820 -0.074 0.000 1.933 347 A HA -0.262 4.058 4.320 -0.001 0.000 0.218 347 A C 2.144 179.763 177.584 0.059 0.000 1.175 347 A CA 1.376 53.394 52.037 -0.031 0.000 0.628 347 A CB -0.778 18.193 19.000 -0.049 0.000 0.814 347 A HN 0.392 nan 8.150 nan 0.000 0.444 348 F N 1.608 121.503 119.950 -0.091 0.000 2.069 348 F HA -0.172 4.354 4.527 -0.001 0.000 0.298 348 F C 2.467 178.355 175.800 0.147 0.000 1.113 348 F CA 2.371 60.399 58.000 0.047 0.000 1.214 348 F CB -0.909 38.016 39.000 -0.125 0.000 0.978 348 F HN 0.215 nan 8.300 nan 0.000 0.474 349 T N 1.344 115.890 114.554 -0.012 0.000 2.746 349 T HA -0.157 4.192 4.350 -0.001 0.000 0.267 349 T C 2.154 176.787 174.700 -0.112 0.000 1.039 349 T CA 1.662 63.744 62.100 -0.029 0.000 1.142 349 T CB -0.563 68.367 68.868 0.104 0.000 0.866 349 T HN 0.245 nan 8.240 nan 0.000 0.444 350 L N 1.362 122.545 121.223 -0.066 0.000 2.362 350 L HA -0.020 4.320 4.340 -0.001 0.000 0.219 350 L C 2.454 179.276 176.870 -0.080 0.000 1.134 350 L CA 1.156 55.950 54.840 -0.076 0.000 0.807 350 L CB -0.529 41.493 42.059 -0.062 0.000 0.927 350 L HN 0.434 nan 8.230 nan 0.000 0.447 351 T N -6.137 108.389 114.554 -0.047 0.000 3.044 351 T HA 0.206 4.555 4.350 -0.001 0.000 0.260 351 T C 0.735 175.445 174.700 0.016 0.000 1.019 351 T CA -0.298 61.805 62.100 0.005 0.000 0.921 351 T CB 0.358 69.271 68.868 0.075 0.000 1.053 351 T HN -0.037 nan 8.240 nan 0.000 0.533 352 S N 2.475 118.093 115.700 -0.137 0.000 2.672 352 S HA 0.590 5.059 4.470 -0.001 0.000 0.276 352 S C 0.406 174.881 174.600 -0.208 0.000 1.207 352 S CA -1.037 57.024 58.200 -0.232 0.000 1.002 352 S CB 0.812 63.750 63.200 -0.437 0.000 0.998 352 S HN 0.600 nan 8.310 nan 0.000 0.542 353 R N 0.827 121.222 120.500 -0.175 0.000 2.694 353 R HA 0.616 4.956 4.340 -0.001 0.000 0.268 353 R C 0.562 176.722 176.300 -0.233 0.000 1.061 353 R CA 0.308 56.315 56.100 -0.155 0.000 1.133 353 R CB -1.266 28.983 30.300 -0.084 0.000 1.020 353 R HN 0.913 nan 8.270 nan 0.000 0.475 354 G N -0.143 108.536 108.800 -0.203 0.000 2.337 354 G HA2 -0.078 3.881 3.960 -0.001 0.000 0.197 354 G HA3 -0.078 3.881 3.960 -0.001 0.000 0.197 354 G C -1.629 173.134 174.900 -0.228 0.000 1.238 354 G CA -0.365 44.598 45.100 -0.228 0.000 1.119 354 G HN 0.633 nan 8.290 nan 0.000 0.514 355 V N 2.973 122.749 119.914 -0.231 0.000 2.349 355 V HA 0.536 4.656 4.120 -0.001 0.000 0.284 355 V C -1.976 174.019 176.094 -0.165 0.000 1.014 355 V CA -0.971 61.204 62.300 -0.209 0.000 0.826 355 V CB 1.825 33.491 31.823 -0.263 0.000 1.009 355 V HN 0.675 nan 8.190 nan 0.000 0.431 356 P HA 0.349 nan 4.420 nan 0.000 0.276 356 P C -0.673 176.662 177.300 0.058 0.000 1.235 356 P CA 0.051 63.111 63.100 -0.065 0.000 0.772 356 P CB 1.606 33.259 31.700 -0.078 0.000 0.871 357 A N 5.118 128.038 122.820 0.166 0.000 2.331 357 A HA 0.646 4.966 4.320 -0.001 0.000 0.320 357 A C -0.414 177.339 177.584 0.282 0.000 1.138 357 A CA -0.694 51.520 52.037 0.295 0.000 0.790 357 A CB 0.650 19.939 19.000 0.481 0.000 1.206 357 A HN 0.374 nan 8.150 nan 0.000 0.470 358 I N 2.444 123.164 120.570 0.250 0.000 2.378 358 I HA 0.190 4.359 4.170 -0.001 0.000 0.291 358 I C -0.556 175.649 176.117 0.146 0.000 0.992 358 I CA -0.718 60.702 61.300 0.200 0.000 1.154 358 I CB 0.985 39.117 38.000 0.220 0.000 1.315 358 I HN 0.679 nan 8.210 nan 0.000 0.448 359 Y N 8.241 128.533 120.300 -0.012 0.000 2.359 359 Y HA 0.169 4.718 4.550 -0.001 0.000 0.330 359 Y C 0.194 175.951 175.900 -0.238 0.000 1.143 359 Y CA -0.988 57.061 58.100 -0.085 0.000 1.318 359 Y CB 0.328 38.788 38.460 -0.000 0.000 1.234 359 Y HN 0.493 nan 8.280 nan 0.000 0.522 360 Y N 3.521 123.413 120.300 -0.680 0.000 2.903 360 Y HA 0.312 4.861 4.550 -0.001 0.000 0.338 360 Y C 1.120 176.822 175.900 -0.330 0.000 1.265 360 Y CA -0.381 57.328 58.100 -0.651 0.000 1.532 360 Y CB -0.138 38.073 38.460 -0.415 0.000 1.293 360 Y HN 0.905 nan 8.280 nan 0.000 0.609 361 G N 1.381 110.054 108.800 -0.213 0.000 2.225 361 G HA2 -0.382 3.578 3.960 -0.001 0.000 0.254 361 G HA3 -0.382 3.578 3.960 -0.001 0.000 0.254 361 G C 1.250 176.021 174.900 -0.215 0.000 0.988 361 G CA 0.553 45.479 45.100 -0.290 0.000 0.625 361 G HN 0.805 nan 8.290 nan 0.000 0.527 362 S N 1.166 116.757 115.700 -0.181 0.000 2.365 362 S HA -0.158 4.312 4.470 -0.001 0.000 0.225 362 S C 2.081 176.535 174.600 -0.244 0.000 1.039 362 S CA 1.953 60.072 58.200 -0.134 0.000 1.033 362 S CB -0.268 62.903 63.200 -0.049 0.000 0.887 362 S HN 0.892 nan 8.310 nan 0.000 0.447 363 E N 0.615 120.737 120.200 -0.131 0.000 2.515 363 E HA -0.107 4.243 4.350 -0.001 0.000 0.201 363 E C 0.465 176.929 176.600 -0.226 0.000 1.071 363 E CA 0.678 56.972 56.400 -0.175 0.000 0.880 363 E CB -0.137 29.600 29.700 0.061 0.000 0.828 363 E HN 0.397 nan 8.360 nan 0.000 0.540 364 Q N -0.080 119.605 119.800 -0.191 0.000 2.135 364 Q HA 0.099 4.438 4.340 -0.001 0.000 0.231 364 Q C -0.734 175.277 176.000 0.019 0.000 0.817 364 Q CA -0.607 55.170 55.803 -0.042 0.000 1.073 364 Q CB -0.285 28.446 28.738 -0.012 0.000 1.176 364 Q HN 0.299 nan 8.270 nan 0.000 0.478 365 Y N -0.701 119.573 120.300 -0.042 0.000 3.225 365 Y HA -0.304 4.246 4.550 -0.001 0.000 0.211 365 Y C 0.401 176.328 175.900 0.045 0.000 1.223 365 Y CA 0.306 58.349 58.100 -0.095 0.000 1.284 365 Y CB -2.275 36.035 38.460 -0.250 0.000 1.367 365 Y HN 0.250 nan 8.280 nan 0.000 0.566 366 M N 0.773 120.420 119.600 0.079 0.000 2.245 366 M HA 0.225 4.705 4.480 -0.001 0.000 0.344 366 M C 0.719 177.115 176.300 0.160 0.000 1.170 366 M CA 0.705 56.046 55.300 0.068 0.000 1.135 366 M CB 0.652 33.193 32.600 -0.098 0.000 1.574 366 M HN 0.407 nan 8.290 nan 0.000 0.452 367 S N 1.293 117.075 115.700 0.137 0.000 2.677 367 S HA 1.022 5.491 4.470 -0.001 0.000 0.304 367 S C -0.294 174.330 174.600 0.040 0.000 1.108 367 S CA -0.486 57.771 58.200 0.096 0.000 0.944 367 S CB 2.297 65.519 63.200 0.038 0.000 1.127 367 S HN 1.085 nan 8.310 nan 0.000 0.511 368 G N -0.825 107.992 108.800 0.029 0.000 2.376 368 G HA2 0.506 4.465 3.960 -0.001 0.000 0.302 368 G HA3 0.506 4.465 3.960 -0.001 0.000 0.302 368 G C -0.218 174.696 174.900 0.024 0.000 1.586 368 G CA -0.348 44.762 45.100 0.017 0.000 0.907 368 G HN 1.040 nan 8.290 nan 0.000 0.655 369 G N -0.079 108.727 108.800 0.011 0.000 2.489 369 G HA2 0.460 4.420 3.960 -0.001 0.000 0.271 369 G HA3 0.460 4.420 3.960 -0.001 0.000 0.271 369 G C 0.389 175.301 174.900 0.020 0.000 1.427 369 G CA -0.517 44.589 45.100 0.010 0.000 1.057 369 G HN 0.700 nan 8.290 nan 0.000 0.532 370 N N 0.185 118.891 118.700 0.011 0.000 2.288 370 N HA 0.029 4.769 4.740 -0.001 0.000 0.237 370 N C 0.094 175.608 175.510 0.008 0.000 1.311 370 N CA -0.233 52.823 53.050 0.009 0.000 0.909 370 N CB 0.241 38.722 38.487 -0.010 0.000 1.167 370 N HN 0.484 nan 8.380 nan 0.000 0.476 371 D N 0.725 121.131 120.400 0.009 0.000 2.752 371 D HA -0.075 4.564 4.640 -0.001 0.000 0.225 371 D C -1.555 174.754 176.300 0.015 0.000 1.104 371 D CA -0.461 53.553 54.000 0.024 0.000 0.832 371 D CB 0.503 41.318 40.800 0.024 0.000 1.161 371 D HN 0.314 nan 8.370 nan 0.000 0.505 372 P HA 0.123 nan 4.420 nan 0.000 0.268 372 P C 0.148 177.445 177.300 -0.005 0.000 1.329 372 P CA -0.146 62.973 63.100 0.032 0.000 0.899 372 P CB 0.563 32.284 31.700 0.034 0.000 1.378 373 D N 1.687 122.085 120.400 -0.003 0.000 2.178 373 D HA -0.129 4.511 4.640 -0.001 0.000 0.201 373 D C 1.222 177.524 176.300 0.003 0.000 0.980 373 D CA 1.120 55.115 54.000 -0.008 0.000 0.842 373 D CB -0.459 40.339 40.800 -0.004 0.000 0.948 373 D HN 0.362 nan 8.370 nan 0.000 0.472 374 N N 0.503 119.221 118.700 0.030 0.000 2.515 374 N HA -0.085 4.654 4.740 -0.001 0.000 0.191 374 N C 0.394 175.944 175.510 0.066 0.000 1.182 374 N CA 0.160 53.256 53.050 0.077 0.000 0.879 374 N CB -0.206 38.363 38.487 0.137 0.000 0.984 374 N HN 0.070 nan 8.380 nan 0.000 0.453 375 R N -0.174 120.322 120.500 -0.006 0.000 2.748 375 R HA 0.426 4.765 4.340 -0.001 0.000 0.395 375 R C -0.255 176.042 176.300 -0.004 0.000 1.128 375 R CA -0.320 55.759 56.100 -0.035 0.000 1.042 375 R CB 0.822 31.007 30.300 -0.191 0.000 1.392 375 R HN 0.168 nan 8.270 nan 0.000 0.582 376 A N 1.222 124.035 122.820 -0.011 0.000 2.406 376 A HA 0.189 4.508 4.320 -0.001 0.000 0.243 376 A C 0.182 177.798 177.584 0.054 0.000 1.082 376 A CA -0.289 51.735 52.037 -0.022 0.000 0.786 376 A CB 0.296 19.270 19.000 -0.042 0.000 1.029 376 A HN 0.425 nan 8.150 nan 0.000 0.495 377 R N 0.510 121.026 120.500 0.026 0.000 2.643 377 R HA 0.230 4.570 4.340 -0.001 0.000 0.270 377 R C -0.322 176.010 176.300 0.055 0.000 1.061 377 R CA -0.622 55.524 56.100 0.076 0.000 1.107 377 R CB 0.061 30.367 30.300 0.010 0.000 0.999 377 R HN 0.642 nan 8.270 nan 0.000 0.460 378 L N 3.811 125.090 121.223 0.094 0.000 2.380 378 L HA 0.374 4.714 4.340 -0.001 0.000 0.273 378 L C -2.115 174.630 176.870 -0.209 0.000 1.138 378 L CA -2.146 52.652 54.840 -0.070 0.000 0.832 378 L CB -0.229 41.800 42.059 -0.050 0.000 1.124 378 L HN 0.539 nan 8.230 nan 0.000 0.454 379 P HA 0.074 nan 4.420 nan 0.000 0.231 379 P C 0.035 177.208 177.300 -0.211 0.000 1.168 379 P CA 0.603 63.612 63.100 -0.152 0.000 0.779 379 P CB 0.475 32.124 31.700 -0.086 0.000 0.844 380 S N -1.552 113.930 115.700 -0.364 0.000 2.567 380 S HA 0.492 4.962 4.470 -0.001 0.000 0.270 380 S C -1.548 172.663 174.600 -0.648 0.000 1.152 380 S CA -0.643 57.355 58.200 -0.336 0.000 0.835 380 S CB -0.050 63.071 63.200 -0.132 0.000 1.115 380 S HN -0.203 nan 8.310 nan 0.000 0.459 381 F N 2.280 122.133 119.950 -0.163 0.000 2.928 381 F HA 0.429 4.955 4.527 -0.001 0.000 0.337 381 F C 1.075 176.858 175.800 -0.029 0.000 1.259 381 F CA -0.398 57.423 58.000 -0.299 0.000 1.267 381 F CB 0.874 39.550 39.000 -0.540 0.000 0.986 381 F HN 0.561 nan 8.300 nan 0.000 0.507 382 S N 0.537 116.299 115.700 0.104 0.000 2.533 382 S HA 0.085 4.554 4.470 -0.001 0.000 0.282 382 S C 1.312 175.888 174.600 -0.041 0.000 1.304 382 S CA 0.135 58.364 58.200 0.048 0.000 1.063 382 S CB 0.415 63.632 63.200 0.028 0.000 0.881 382 S HN 0.495 nan 8.310 nan 0.000 0.493 383 T N 0.718 115.130 114.554 -0.237 0.000 3.206 383 T HA 0.142 4.492 4.350 -0.001 0.000 0.253 383 T C 0.982 175.345 174.700 -0.561 0.000 1.042 383 T CA 0.275 61.872 62.100 -0.838 0.000 0.931 383 T CB -0.395 68.127 68.868 -0.576 0.000 1.029 383 T HN 0.683 nan 8.240 nan 0.000 0.564 384 T N -0.985 113.441 114.554 -0.214 0.000 3.145 384 T HA 0.231 4.581 4.350 -0.001 0.000 0.281 384 T C 0.762 175.479 174.700 0.027 0.000 1.003 384 T CA -0.140 61.920 62.100 -0.067 0.000 0.901 384 T CB -0.229 68.619 68.868 -0.034 0.000 1.112 384 T HN 0.498 nan 8.240 nan 0.000 0.535 385 T N -0.479 114.123 114.554 0.080 0.000 2.868 385 T HA 0.258 4.608 4.350 -0.001 0.000 0.292 385 T C 1.428 176.250 174.700 0.203 0.000 1.028 385 T CA -0.108 62.106 62.100 0.190 0.000 1.059 385 T CB 1.014 70.059 68.868 0.296 0.000 0.991 385 T HN 0.045 nan 8.240 nan 0.000 0.531 386 T N 1.730 116.418 114.554 0.223 0.000 2.708 386 T HA -0.070 4.279 4.350 -0.001 0.000 0.266 386 T C 2.432 177.226 174.700 0.157 0.000 1.037 386 T CA 1.434 63.640 62.100 0.175 0.000 1.146 386 T CB -0.873 68.094 68.868 0.165 0.000 0.865 386 T HN 0.823 nan 8.240 nan 0.000 0.435 387 A N 0.428 123.350 122.820 0.170 0.000 1.940 387 A HA -0.133 4.186 4.320 -0.001 0.000 0.219 387 A C 2.082 179.676 177.584 0.017 0.000 1.176 387 A CA 1.639 53.670 52.037 -0.011 0.000 0.631 387 A CB -1.068 17.739 19.000 -0.322 0.000 0.814 387 A HN 0.638 nan 8.150 nan 0.000 0.446 388 Y N 0.408 120.682 120.300 -0.044 0.000 2.181 388 Y HA -0.253 4.296 4.550 -0.001 0.000 0.288 388 Y C 2.565 178.436 175.900 -0.049 0.000 1.146 388 Y CA 2.332 60.400 58.100 -0.053 0.000 1.164 388 Y CB -0.212 38.232 38.460 -0.027 0.000 0.982 388 Y HN 0.426 nan 8.280 nan 0.000 0.515 389 Q N -0.932 118.995 119.800 0.211 0.000 2.167 389 Q HA -0.152 4.188 4.340 -0.001 0.000 0.202 389 Q C 2.299 178.303 176.000 0.006 0.000 0.970 389 Q CA 1.586 57.459 55.803 0.116 0.000 0.855 389 Q CB -0.152 28.656 28.738 0.117 0.000 0.911 389 Q HN 0.392 nan 8.270 nan 0.000 0.438 390 V N 1.002 120.911 119.914 -0.008 0.000 2.343 390 V HA -0.260 3.860 4.120 -0.001 0.000 0.247 390 V C 2.083 178.127 176.094 -0.083 0.000 1.051 390 V CA 1.599 63.873 62.300 -0.042 0.000 1.036 390 V CB -0.370 31.432 31.823 -0.035 0.000 0.654 390 V HN 0.335 nan 8.190 nan 0.000 0.451 391 I N -0.275 120.220 120.570 -0.124 0.000 2.252 391 I HA -0.269 3.901 4.170 -0.001 0.000 0.245 391 I C 2.636 178.637 176.117 -0.194 0.000 1.102 391 I CA 1.670 62.872 61.300 -0.163 0.000 1.385 391 I CB -0.407 37.467 38.000 -0.209 0.000 1.064 391 I HN 0.374 nan 8.210 nan 0.000 0.414 392 Q N 1.524 121.181 119.800 -0.239 0.000 2.170 392 Q HA -0.244 4.096 4.340 -0.001 0.000 0.203 392 Q C 2.004 177.938 176.000 -0.110 0.000 0.976 392 Q CA 1.661 57.342 55.803 -0.203 0.000 0.858 392 Q CB 0.127 28.767 28.738 -0.164 0.000 0.907 392 Q HN 0.465 nan 8.270 nan 0.000 0.433 393 K N -0.320 120.031 120.400 -0.083 0.000 2.098 393 K HA 0.041 4.360 4.320 -0.001 0.000 0.203 393 K C 2.070 178.626 176.600 -0.073 0.000 1.051 393 K CA 0.712 56.962 56.287 -0.062 0.000 0.957 393 K CB 0.204 32.675 32.500 -0.048 0.000 0.738 393 K HN 0.208 nan 8.250 nan 0.000 0.447 394 L N 0.164 121.337 121.223 -0.084 0.000 2.127 394 L HA 0.037 4.377 4.340 -0.001 0.000 0.203 394 L C 2.521 179.336 176.870 -0.091 0.000 1.080 394 L CA 0.606 55.395 54.840 -0.085 0.000 0.768 394 L CB -0.466 41.544 42.059 -0.082 0.000 0.924 394 L HN 0.142 nan 8.230 nan 0.000 0.444 395 A N 0.996 123.756 122.820 -0.100 0.000 1.908 395 A HA -0.132 4.188 4.320 -0.001 0.000 0.218 395 A C -0.142 177.379 177.584 -0.105 0.000 1.181 395 A CA 1.612 53.588 52.037 -0.103 0.000 0.627 395 A CB -1.775 17.158 19.000 -0.111 0.000 0.818 395 A HN 0.274 nan 8.150 nan 0.000 0.445 396 P HA -0.126 nan 4.420 nan 0.000 0.221 396 P C 1.085 178.326 177.300 -0.098 0.000 1.145 396 P CA 0.767 63.812 63.100 -0.093 0.000 0.795 396 P CB -0.157 31.497 31.700 -0.076 0.000 0.775 397 L N -1.486 119.680 121.223 -0.096 0.000 2.465 397 L HA -0.045 4.295 4.340 -0.001 0.000 0.224 397 L C 2.450 179.241 176.870 -0.131 0.000 1.145 397 L CA 0.753 55.535 54.840 -0.097 0.000 0.834 397 L CB -0.545 41.465 42.059 -0.081 0.000 0.944 397 L HN -0.036 nan 8.230 nan 0.000 0.451 398 R N 0.332 120.740 120.500 -0.153 0.000 2.115 398 R HA -0.069 4.270 4.340 -0.001 0.000 0.230 398 R C 2.043 178.203 176.300 -0.233 0.000 1.111 398 R CA 0.811 56.785 56.100 -0.210 0.000 0.976 398 R CB -0.043 30.138 30.300 -0.199 0.000 0.870 398 R HN 0.288 nan 8.270 nan 0.000 0.445 399 K N 0.195 120.487 120.400 -0.180 0.000 2.137 399 K HA 0.013 4.333 4.320 -0.001 0.000 0.202 399 K C 2.065 178.580 176.600 -0.141 0.000 1.052 399 K CA 1.376 57.563 56.287 -0.167 0.000 0.961 399 K CB -0.046 32.373 32.500 -0.135 0.000 0.741 399 K HN 0.166 nan 8.250 nan 0.000 0.452 400 S N 0.356 115.985 115.700 -0.119 0.000 2.458 400 S HA 0.036 4.505 4.470 -0.001 0.000 0.223 400 S C 0.787 175.332 174.600 -0.091 0.000 1.019 400 S CA -0.014 58.130 58.200 -0.094 0.000 0.937 400 S CB -0.054 63.101 63.200 -0.075 0.000 0.788 400 S HN 0.057 nan 8.310 nan 0.000 0.511 401 N N 2.262 120.897 118.700 -0.108 0.000 2.569 401 N HA 0.382 5.122 4.740 -0.001 0.000 0.254 401 N C -2.325 173.108 175.510 -0.127 0.000 1.004 401 N CA -2.341 50.656 53.050 -0.088 0.000 0.904 401 N CB 1.854 40.303 38.487 -0.064 0.000 1.165 401 N HN -0.039 nan 8.380 nan 0.000 0.513 402 P HA -0.133 nan 4.420 nan 0.000 0.221 402 P C 0.897 178.101 177.300 -0.160 0.000 1.145 402 P CA 0.835 63.842 63.100 -0.154 0.000 0.795 402 P CB 0.330 32.084 31.700 0.091 0.000 0.775 403 A N -0.250 122.589 122.820 0.031 0.000 1.930 403 A HA -0.123 4.196 4.320 -0.001 0.000 0.217 403 A C 2.325 179.903 177.584 -0.009 0.000 1.175 403 A CA 1.147 53.245 52.037 0.102 0.000 0.627 403 A CB -1.324 17.766 19.000 0.149 0.000 0.815 403 A HN 0.141 nan 8.150 nan 0.000 0.443 404 I N -0.748 119.772 120.570 -0.084 0.000 2.333 404 I HA -0.163 4.007 4.170 -0.001 0.000 0.246 404 I C 2.956 178.932 176.117 -0.235 0.000 1.106 404 I CA 0.847 62.080 61.300 -0.111 0.000 1.411 404 I CB -0.304 37.633 38.000 -0.104 0.000 1.082 404 I HN 0.344 nan 8.210 nan 0.000 0.420 405 A N 0.307 122.880 122.820 -0.412 0.000 1.902 405 A HA -0.205 4.115 4.320 -0.001 0.000 0.217 405 A C 1.776 178.930 177.584 -0.717 0.000 1.181 405 A CA 1.750 53.365 52.037 -0.704 0.000 0.623 405 A CB -0.666 17.627 19.000 -1.178 0.000 0.818 405 A HN 0.560 nan 8.150 nan 0.000 0.443 406 Y N -1.378 118.702 120.300 -0.367 0.000 2.471 406 Y HA 0.349 4.898 4.550 -0.001 0.000 0.249 406 Y C 1.622 177.429 175.900 -0.156 0.000 1.116 406 Y CA -0.555 57.308 58.100 -0.395 0.000 1.240 406 Y CB 0.062 37.971 38.460 -0.920 0.000 1.251 406 Y HN 0.323 nan 8.280 nan 0.000 0.527 407 G N 0.997 109.846 108.800 0.082 0.000 2.599 407 G HA2 0.316 4.276 3.960 -0.001 0.000 0.264 407 G HA3 0.316 4.276 3.960 -0.001 0.000 0.264 407 G C 0.144 175.133 174.900 0.149 0.000 1.200 407 G CA -0.271 44.969 45.100 0.233 0.000 0.896 407 G HN 0.209 nan 8.290 nan 0.000 0.536 408 S N -1.037 114.761 115.700 0.163 0.000 2.596 408 S HA 0.482 4.952 4.470 -0.001 0.000 0.260 408 S C 0.006 174.473 174.600 -0.221 0.000 1.336 408 S CA -0.309 57.899 58.200 0.014 0.000 0.993 408 S CB 1.217 64.478 63.200 0.103 0.000 0.923 408 S HN 0.566 nan 8.310 nan 0.000 0.567 409 T N 1.841 116.181 114.554 -0.357 0.000 2.809 409 T HA 0.540 4.890 4.350 -0.001 0.000 0.284 409 T C -1.440 172.988 174.700 -0.453 0.000 0.992 409 T CA -0.549 61.349 62.100 -0.336 0.000 0.957 409 T CB 0.564 69.365 68.868 -0.113 0.000 0.942 409 T HN 0.783 nan 8.240 nan 0.000 0.439 410 H N 0.120 119.306 119.070 0.192 0.000 2.744 410 H HA 0.411 4.967 4.556 -0.001 0.000 0.339 410 H C -0.392 175.066 175.328 0.216 0.000 1.004 410 H CA -0.891 55.260 56.048 0.170 0.000 1.257 410 H CB 1.013 30.862 29.762 0.146 0.000 1.552 410 H HN 0.429 nan 8.280 nan 0.000 0.522 411 E N 3.363 123.728 120.200 0.276 0.000 2.265 411 E HA 0.015 4.364 4.350 -0.001 0.000 0.272 411 E C 0.097 176.848 176.600 0.251 0.000 1.067 411 E CA -0.228 56.332 56.400 0.267 0.000 0.900 411 E CB 0.381 30.189 29.700 0.180 0.000 1.017 411 E HN 0.590 nan 8.360 nan 0.000 0.431 412 R N 3.374 124.044 120.500 0.283 0.000 2.223 412 R HA 0.092 4.431 4.340 -0.001 0.000 0.198 412 R C -0.087 176.398 176.300 0.308 0.000 0.984 412 R CA 0.368 56.622 56.100 0.257 0.000 1.018 412 R CB 0.115 30.568 30.300 0.255 0.000 0.945 412 R HN 0.560 nan 8.270 nan 0.000 0.479 413 W N -0.405 120.957 121.300 0.105 0.000 3.296 413 W HA 0.566 5.225 4.660 -0.001 0.000 0.314 413 W C -1.607 174.932 176.519 0.032 0.000 1.238 413 W CA -0.698 56.684 57.345 0.062 0.000 1.193 413 W CB 1.283 30.774 29.460 0.052 0.000 1.383 413 W HN -0.168 nan 8.180 nan 0.000 0.545 414 I N 5.485 125.885 120.570 -0.282 0.000 2.908 414 I HA 0.492 4.662 4.170 -0.001 0.000 0.300 414 I C -1.443 174.373 176.117 -0.502 0.000 1.385 414 I CA -0.426 60.731 61.300 -0.237 0.000 1.004 414 I CB 1.567 39.377 38.000 -0.317 0.000 1.309 414 I HN 0.616 nan 8.210 nan 0.000 0.449 415 N N 3.019 121.551 118.700 -0.279 0.000 3.364 415 N HA 0.327 5.066 4.740 -0.001 0.000 0.294 415 N C -0.380 175.008 175.510 -0.202 0.000 1.562 415 N CA -0.671 52.249 53.050 -0.217 0.000 0.862 415 N CB 0.085 38.553 38.487 -0.032 0.000 1.691 415 N HN 0.465 nan 8.380 nan 0.000 0.572 416 N N -0.615 118.052 118.700 -0.055 0.000 2.192 416 N HA -0.083 4.656 4.740 -0.001 0.000 0.188 416 N C -0.305 175.169 175.510 -0.060 0.000 1.013 416 N CA 1.571 54.600 53.050 -0.035 0.000 0.863 416 N CB -0.114 38.390 38.487 0.030 0.000 0.990 416 N HN 0.494 nan 8.380 nan 0.000 0.430 417 D N -1.331 119.058 120.400 -0.018 0.000 2.500 417 D HA 0.183 4.822 4.640 -0.001 0.000 0.218 417 D C -0.480 175.839 176.300 0.030 0.000 1.140 417 D CA 0.136 54.133 54.000 -0.006 0.000 0.830 417 D CB 1.274 42.091 40.800 0.028 0.000 1.055 417 D HN -0.107 nan 8.370 nan 0.000 0.512 418 V N 1.639 121.595 119.914 0.071 0.000 2.735 418 V HA 0.518 4.638 4.120 -0.001 0.000 0.310 418 V C -0.517 175.673 176.094 0.159 0.000 1.061 418 V CA -0.858 61.534 62.300 0.153 0.000 0.913 418 V CB 3.203 35.187 31.823 0.269 0.000 1.005 418 V HN -0.057 nan 8.190 nan 0.000 0.428 419 I N 4.360 125.047 120.570 0.194 0.000 2.722 419 I HA 0.604 4.774 4.170 -0.001 0.000 0.295 419 I C -1.671 174.623 176.117 0.295 0.000 1.161 419 I CA -0.689 60.752 61.300 0.234 0.000 1.032 419 I CB 2.125 40.241 38.000 0.193 0.000 1.244 419 I HN 0.566 nan 8.210 nan 0.000 0.421 420 I N 7.788 128.556 120.570 0.330 0.000 2.447 420 I HA 0.350 4.519 4.170 -0.001 0.000 0.287 420 I C -1.393 174.898 176.117 0.290 0.000 1.023 420 I CA -0.640 60.807 61.300 0.247 0.000 1.083 420 I CB 1.646 39.827 38.000 0.302 0.000 1.245 420 I HN 0.444 nan 8.210 nan 0.000 0.434 421 Y N 3.012 123.461 120.300 0.249 0.000 2.536 421 Y HA 0.744 5.294 4.550 -0.001 0.000 0.347 421 Y C -0.659 175.386 175.900 0.241 0.000 1.000 421 Y CA -1.172 57.070 58.100 0.237 0.000 1.051 421 Y CB 1.153 39.744 38.460 0.218 0.000 1.259 421 Y HN 0.503 nan 8.280 nan 0.000 0.468 422 E N 2.323 122.786 120.200 0.438 0.000 2.207 422 E HA 0.531 4.880 4.350 -0.001 0.000 0.270 422 E C -1.099 175.780 176.600 0.465 0.000 0.927 422 E CA -1.159 55.477 56.400 0.395 0.000 0.799 422 E CB 1.064 30.987 29.700 0.371 0.000 1.172 422 E HN 0.626 nan 8.360 nan 0.000 0.404 423 R N 2.772 123.477 120.500 0.342 0.000 2.494 423 R HA 0.421 4.760 4.340 -0.001 0.000 0.305 423 R C -1.042 175.445 176.300 0.311 0.000 0.959 423 R CA -0.939 55.325 56.100 0.273 0.000 0.864 423 R CB 1.461 31.874 30.300 0.189 0.000 1.159 423 R HN 0.415 nan 8.270 nan 0.000 0.446 424 K N 2.125 122.749 120.400 0.373 0.000 2.535 424 K HA 0.462 4.781 4.320 -0.001 0.000 0.250 424 K C -1.963 174.857 176.600 0.367 0.000 0.948 424 K CA -0.545 55.949 56.287 0.346 0.000 0.796 424 K CB 1.050 33.788 32.500 0.397 0.000 1.216 424 K HN 0.415 nan 8.250 nan 0.000 0.432 425 F N 4.862 124.889 119.950 0.127 0.000 2.941 425 F HA 0.501 5.027 4.527 -0.001 0.000 0.359 425 F C 0.538 176.381 175.800 0.072 0.000 1.231 425 F CA 0.593 58.657 58.000 0.107 0.000 1.089 425 F CB 1.087 40.163 39.000 0.126 0.000 1.407 425 F HN 0.812 nan 8.300 nan 0.000 0.538 426 G N 5.021 113.696 108.800 -0.208 0.000 2.557 426 G HA2 -0.396 3.563 3.960 -0.001 0.000 0.292 426 G HA3 -0.396 3.563 3.960 -0.001 0.000 0.292 426 G C 0.766 175.657 174.900 -0.015 0.000 1.162 426 G CA 0.539 45.523 45.100 -0.193 0.000 0.964 426 G HN 0.563 nan 8.290 nan 0.000 0.541 427 N N 2.428 121.142 118.700 0.024 0.000 2.299 427 N HA 0.089 4.828 4.740 -0.001 0.000 0.187 427 N C 0.270 175.878 175.510 0.164 0.000 1.099 427 N CA 0.255 53.366 53.050 0.102 0.000 0.867 427 N CB -0.024 38.520 38.487 0.096 0.000 0.974 427 N HN 0.521 nan 8.380 nan 0.000 0.477 428 N N 0.761 119.548 118.700 0.147 0.000 2.473 428 N HA 0.317 5.056 4.740 -0.001 0.000 0.291 428 N C -0.584 175.031 175.510 0.175 0.000 1.083 428 N CA -0.101 53.033 53.050 0.140 0.000 0.951 428 N CB 2.519 41.097 38.487 0.150 0.000 1.164 428 N HN -0.258 nan 8.380 nan 0.000 0.480 429 V N 0.091 120.100 119.914 0.159 0.000 2.971 429 V HA 0.813 4.932 4.120 -0.001 0.000 0.309 429 V C -0.715 175.440 176.094 0.101 0.000 1.130 429 V CA -0.931 61.455 62.300 0.142 0.000 0.964 429 V CB 1.898 33.793 31.823 0.121 0.000 1.029 429 V HN 0.826 nan 8.190 nan 0.000 0.427 430 A N 2.606 125.487 122.820 0.102 0.000 2.455 430 A HA 0.923 5.242 4.320 -0.001 0.000 0.300 430 A C -1.464 176.170 177.584 0.084 0.000 1.040 430 A CA -0.545 51.533 52.037 0.069 0.000 0.697 430 A CB 2.026 21.056 19.000 0.049 0.000 1.265 430 A HN 0.787 nan 8.150 nan 0.000 0.407 431 V N 1.729 121.689 119.914 0.077 0.000 2.735 431 V HA 0.711 4.830 4.120 -0.001 0.000 0.310 431 V C -0.597 175.462 176.094 -0.058 0.000 1.061 431 V CA -0.577 61.779 62.300 0.094 0.000 0.913 431 V CB 1.827 33.803 31.823 0.256 0.000 1.005 431 V HN 0.771 nan 8.190 nan 0.000 0.428 432 V N 2.604 122.346 119.914 -0.287 0.000 2.638 432 V HA 0.884 5.003 4.120 -0.001 0.000 0.306 432 V C -0.107 175.771 176.094 -0.359 0.000 1.052 432 V CA -0.546 61.472 62.300 -0.470 0.000 0.885 432 V CB 1.928 33.334 31.823 -0.696 0.000 0.999 432 V HN 1.056 nan 8.190 nan 0.000 0.424 433 A N 5.841 128.532 122.820 -0.216 0.000 2.343 433 A HA 0.959 5.278 4.320 -0.001 0.000 0.316 433 A C -0.997 176.604 177.584 0.029 0.000 1.104 433 A CA -0.480 51.569 52.037 0.019 0.000 0.768 433 A CB 0.969 20.102 19.000 0.221 0.000 1.213 433 A HN 0.757 nan 8.150 nan 0.000 0.456 434 I N 2.091 122.729 120.570 0.115 0.000 2.569 434 I HA 0.313 4.482 4.170 -0.001 0.000 0.290 434 I C -0.876 175.333 176.117 0.154 0.000 1.088 434 I CA -0.803 60.580 61.300 0.138 0.000 1.047 434 I CB 2.480 40.615 38.000 0.225 0.000 1.237 434 I HN 0.651 nan 8.210 nan 0.000 0.421 435 N N 5.109 123.888 118.700 0.132 0.000 2.479 435 N HA 0.287 5.027 4.740 -0.001 0.000 0.261 435 N C 0.567 176.156 175.510 0.132 0.000 0.979 435 N CA -0.784 52.335 53.050 0.115 0.000 0.930 435 N CB 1.158 39.697 38.487 0.086 0.000 1.172 435 N HN 0.638 nan 8.380 nan 0.000 0.499 436 R N 2.146 122.727 120.500 0.135 0.000 2.275 436 R HA 0.120 4.459 4.340 -0.001 0.000 0.199 436 R C 0.122 176.483 176.300 0.102 0.000 0.989 436 R CA -0.071 56.124 56.100 0.158 0.000 1.016 436 R CB -0.078 30.297 30.300 0.125 0.000 0.918 436 R HN 0.288 nan 8.270 nan 0.000 0.473 437 N N 1.117 119.861 118.700 0.074 0.000 2.470 437 N HA -0.008 4.732 4.740 -0.001 0.000 0.268 437 N C -0.053 175.493 175.510 0.061 0.000 1.136 437 N CA -0.016 53.068 53.050 0.057 0.000 0.961 437 N CB 1.270 39.785 38.487 0.046 0.000 1.067 437 N HN 0.094 nan 8.380 nan 0.000 0.468 438 M N 2.908 122.542 119.600 0.057 0.000 2.495 438 M HA 0.157 4.637 4.480 -0.001 0.000 0.237 438 M C 0.577 176.903 176.300 0.043 0.000 1.131 438 M CA 0.359 55.692 55.300 0.055 0.000 1.032 438 M CB 0.028 32.664 32.600 0.060 0.000 1.513 438 M HN 0.526 nan 8.290 nan 0.000 0.488 439 N N -2.238 116.484 118.700 0.038 0.000 2.419 439 N HA 0.119 4.858 4.740 -0.001 0.000 0.216 439 N C -0.161 175.367 175.510 0.030 0.000 1.118 439 N CA 0.231 53.300 53.050 0.031 0.000 0.850 439 N CB 0.244 38.746 38.487 0.026 0.000 1.292 439 N HN 0.105 nan 8.380 nan 0.000 0.467 440 T N 4.199 118.773 114.554 0.032 0.000 2.744 440 T HA 0.373 4.722 4.350 -0.001 0.000 0.291 440 T C -2.643 172.076 174.700 0.031 0.000 0.957 440 T CA -1.234 60.884 62.100 0.030 0.000 1.002 440 T CB 1.925 70.811 68.868 0.032 0.000 0.919 440 T HN -0.008 nan 8.240 nan 0.000 0.468 441 P HA 0.335 nan 4.420 nan 0.000 0.269 441 P C -1.098 176.204 177.300 0.003 0.000 1.209 441 P CA -0.453 62.658 63.100 0.018 0.000 0.776 441 P CB 0.407 32.117 31.700 0.016 0.000 0.876 442 A N 1.938 124.743 122.820 -0.025 0.000 2.318 442 A HA 0.496 4.815 4.320 -0.001 0.000 0.324 442 A C 0.099 177.579 177.584 -0.174 0.000 1.170 442 A CA -0.485 51.514 52.037 -0.063 0.000 0.810 442 A CB 0.566 19.524 19.000 -0.070 0.000 1.198 442 A HN 0.416 nan 8.150 nan 0.000 0.484 443 S N 3.156 118.765 115.700 -0.152 0.000 2.416 443 S HA 0.443 4.912 4.470 -0.001 0.000 0.287 443 S C -0.115 174.226 174.600 -0.432 0.000 1.139 443 S CA -0.558 57.511 58.200 -0.218 0.000 1.058 443 S CB -0.474 62.676 63.200 -0.083 0.000 0.967 443 S HN 0.445 nan 8.310 nan 0.000 0.495 444 I N 5.970 126.087 120.570 -0.755 0.000 2.325 444 I HA 0.306 4.475 4.170 -0.001 0.000 0.291 444 I C 0.776 176.513 176.117 -0.633 0.000 1.019 444 I CA -0.186 60.425 61.300 -1.147 0.000 1.302 444 I CB 0.372 37.348 38.000 -1.706 0.000 1.401 444 I HN 0.707 nan 8.210 nan 0.000 0.485 445 T N 0.616 115.006 114.554 -0.275 0.000 2.876 445 T HA 0.666 5.016 4.350 -0.001 0.000 0.289 445 T C 0.547 175.338 174.700 0.151 0.000 1.014 445 T CA -0.293 61.788 62.100 -0.030 0.000 0.986 445 T CB 1.961 70.866 68.868 0.062 0.000 1.021 445 T HN 1.050 nan 8.240 nan 0.000 0.458 446 G N 1.001 109.861 108.800 0.100 0.000 2.182 446 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.248 446 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.248 446 G C -0.230 174.785 174.900 0.192 0.000 1.042 446 G CA 0.001 45.189 45.100 0.147 0.000 0.775 446 G HN 1.124 nan 8.290 nan 0.000 0.501 447 L N 0.806 122.111 121.223 0.137 0.000 2.319 447 L HA 0.679 5.019 4.340 -0.001 0.000 0.280 447 L C 0.236 177.180 176.870 0.124 0.000 1.099 447 L CA -0.469 54.475 54.840 0.173 0.000 0.828 447 L CB 1.505 43.633 42.059 0.116 0.000 1.150 447 L HN 0.072 nan 8.230 nan 0.000 0.442 448 V N 4.749 124.738 119.914 0.125 0.000 2.513 448 V HA 0.722 4.842 4.120 -0.001 0.000 0.299 448 V C 0.280 176.414 176.094 0.065 0.000 1.035 448 V CA -0.030 62.314 62.300 0.074 0.000 0.889 448 V CB 1.884 33.744 31.823 0.062 0.000 0.988 448 V HN 0.992 nan 8.190 nan 0.000 0.440 449 T N 0.476 115.047 114.554 0.030 0.000 2.831 449 T HA 0.384 4.734 4.350 -0.001 0.000 0.287 449 T C 0.408 175.101 174.700 -0.012 0.000 1.070 449 T CA -0.453 61.659 62.100 0.020 0.000 1.010 449 T CB 1.880 70.749 68.868 0.002 0.000 1.264 449 T HN 0.322 nan 8.240 nan 0.000 0.532 450 S N 0.021 115.708 115.700 -0.020 0.000 2.597 450 S HA 0.314 4.783 4.470 -0.001 0.000 0.224 450 S C 0.555 175.129 174.600 -0.044 0.000 0.955 450 S CA -0.499 57.685 58.200 -0.028 0.000 0.933 450 S CB -0.691 62.498 63.200 -0.019 0.000 0.788 450 S HN 0.460 nan 8.310 nan 0.000 0.488 451 L N 2.879 124.051 121.223 -0.084 0.000 2.426 451 L HA 0.241 4.580 4.340 -0.001 0.000 0.271 451 L C -2.201 174.593 176.870 -0.126 0.000 1.169 451 L CA -1.900 52.842 54.840 -0.164 0.000 0.836 451 L CB 0.031 41.892 42.059 -0.329 0.000 1.112 451 L HN -0.007 nan 8.230 nan 0.000 0.465 452 P HA 0.105 nan 4.420 nan 0.000 0.272 452 P C -0.716 176.566 177.300 -0.031 0.000 1.240 452 P CA -0.520 62.469 63.100 -0.184 0.000 0.791 452 P CB 0.417 31.877 31.700 -0.400 0.000 0.978 453 R N 0.569 121.039 120.500 -0.049 0.000 2.583 453 R HA 0.405 4.745 4.340 -0.001 0.000 0.274 453 R C 0.769 177.009 176.300 -0.100 0.000 0.998 453 R CA 1.338 57.412 56.100 -0.043 0.000 1.081 453 R CB -0.610 29.654 30.300 -0.060 0.000 0.940 453 R HN 0.842 nan 8.270 nan 0.000 0.413 454 G N 0.243 108.946 108.800 -0.161 0.000 2.337 454 G HA2 0.060 4.020 3.960 -0.001 0.000 0.298 454 G HA3 0.060 4.020 3.960 -0.001 0.000 0.298 454 G C -1.501 173.130 174.900 -0.449 0.000 1.335 454 G CA -0.885 43.985 45.100 -0.384 0.000 0.875 454 G HN 0.387 nan 8.290 nan 0.000 0.579 455 S N 0.358 115.773 115.700 -0.476 0.000 2.528 455 S HA 0.531 5.000 4.470 -0.001 0.000 0.303 455 S C -1.086 173.289 174.600 -0.375 0.000 1.123 455 S CA -0.306 57.702 58.200 -0.319 0.000 1.138 455 S CB 0.322 63.409 63.200 -0.188 0.000 0.984 455 S HN 0.407 nan 8.310 nan 0.000 0.474 456 Y N 2.391 122.631 120.300 -0.100 0.000 2.327 456 Y HA 0.279 4.828 4.550 -0.001 0.000 0.336 456 Y C 0.740 176.705 175.900 0.109 0.000 1.035 456 Y CA -0.760 57.347 58.100 0.012 0.000 1.165 456 Y CB 0.477 38.947 38.460 0.018 0.000 1.181 456 Y HN 0.509 nan 8.280 nan 0.000 0.494 457 N N 1.853 120.706 118.700 0.255 0.000 2.499 457 N HA 0.074 4.814 4.740 -0.001 0.000 0.281 457 N C -1.057 174.639 175.510 0.310 0.000 1.098 457 N CA -0.720 52.468 53.050 0.230 0.000 0.979 457 N CB 0.491 39.047 38.487 0.116 0.000 1.121 457 N HN 0.521 nan 8.380 nan 0.000 0.466 458 D N 1.548 122.099 120.400 0.252 0.000 2.502 458 D HA -0.058 4.582 4.640 -0.001 0.000 0.249 458 D C 0.880 177.166 176.300 -0.024 0.000 1.188 458 D CA 0.082 54.089 54.000 0.012 0.000 0.890 458 D CB 0.632 41.417 40.800 -0.025 0.000 1.140 458 D HN 0.227 nan 8.370 nan 0.000 0.505 459 V N 4.710 124.578 119.914 -0.076 0.000 2.469 459 V HA -0.224 3.895 4.120 -0.001 0.000 0.251 459 V C 2.278 178.334 176.094 -0.063 0.000 1.064 459 V CA 1.243 63.513 62.300 -0.050 0.000 1.066 459 V CB -0.463 31.319 31.823 -0.067 0.000 0.667 459 V HN 0.647 nan 8.190 nan 0.000 0.461 460 L N 0.567 121.730 121.223 -0.100 0.000 2.622 460 L HA 0.141 4.481 4.340 -0.001 0.000 0.233 460 L C 1.784 178.631 176.870 -0.039 0.000 1.156 460 L CA 0.793 55.588 54.840 -0.075 0.000 0.866 460 L CB -0.861 41.137 42.059 -0.103 0.000 0.980 460 L HN 0.565 nan 8.230 nan 0.000 0.448 461 G N -0.032 108.753 108.800 -0.024 0.000 2.258 461 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.274 461 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.274 461 G C 1.012 175.914 174.900 0.003 0.000 1.021 461 G CA 0.368 45.468 45.100 -0.001 0.000 0.798 461 G HN 0.685 nan 8.290 nan 0.000 0.507 462 G N -1.423 107.374 108.800 -0.004 0.000 2.199 462 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.254 462 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.254 462 G C 1.233 176.136 174.900 0.005 0.000 0.982 462 G CA 0.691 45.794 45.100 0.006 0.000 0.632 462 G HN 1.178 nan 8.290 nan 0.000 0.529 463 I N 0.479 121.049 120.570 0.000 0.000 2.315 463 I HA -0.058 4.111 4.170 -0.001 0.000 0.251 463 I C 1.957 178.079 176.117 0.009 0.000 1.125 463 I CA 1.604 62.909 61.300 0.008 0.000 1.392 463 I CB 0.000 38.005 38.000 0.009 0.000 1.065 463 I HN 0.346 nan 8.210 nan 0.000 0.424 464 L N 0.737 121.957 121.223 -0.005 0.000 3.094 464 L HA 0.282 4.622 4.340 -0.001 0.000 0.254 464 L C -0.014 176.859 176.870 0.006 0.000 1.298 464 L CA -0.222 54.619 54.840 0.001 0.000 1.050 464 L CB -0.321 41.730 42.059 -0.014 0.000 1.420 464 L HN 0.243 nan 8.230 nan 0.000 0.548 465 N N 0.821 119.529 118.700 0.014 0.000 2.754 465 N HA -0.138 4.601 4.740 -0.001 0.000 0.248 465 N C 0.474 176.005 175.510 0.034 0.000 1.093 465 N CA 0.951 54.018 53.050 0.028 0.000 0.699 465 N CB -0.954 37.556 38.487 0.038 0.000 1.016 465 N HN 0.615 nan 8.380 nan 0.000 0.552 466 G N 0.207 109.014 108.800 0.011 0.000 2.557 466 G HA2 0.548 4.507 3.960 -0.001 0.000 0.292 466 G HA3 0.548 4.507 3.960 -0.001 0.000 0.292 466 G C 0.317 175.258 174.900 0.068 0.000 1.237 466 G CA -0.292 44.812 45.100 0.007 0.000 0.978 466 G HN 0.453 nan 8.290 nan 0.000 0.498 467 N N -1.748 117.039 118.700 0.146 0.000 2.647 467 N HA 0.278 5.018 4.740 -0.001 0.000 0.266 467 N C -1.048 174.633 175.510 0.285 0.000 1.373 467 N CA -0.594 52.550 53.050 0.156 0.000 0.807 467 N CB 1.329 39.874 38.487 0.097 0.000 1.513 467 N HN 0.318 nan 8.380 nan 0.000 0.505 468 T N 0.928 115.559 114.554 0.129 0.000 2.907 468 T HA 0.257 4.606 4.350 -0.001 0.000 0.298 468 T C -0.072 174.482 174.700 -0.244 0.000 1.017 468 T CA -0.189 61.956 62.100 0.074 0.000 1.118 468 T CB 0.314 69.182 68.868 -0.001 0.000 0.948 468 T HN 0.364 nan 8.240 nan 0.000 0.531 469 L N 3.372 124.248 121.223 -0.578 0.000 2.287 469 L HA 0.431 4.771 4.340 -0.001 0.000 0.287 469 L C -0.044 176.572 176.870 -0.425 0.000 1.022 469 L CA -0.042 54.240 54.840 -0.931 0.000 0.814 469 L CB 1.424 42.386 42.059 -1.828 0.000 1.217 469 L HN 0.579 nan 8.230 nan 0.000 0.420 470 T N 4.736 119.103 114.554 -0.312 0.000 2.733 470 T HA 0.496 4.846 4.350 -0.001 0.000 0.294 470 T C -0.397 174.229 174.700 -0.124 0.000 0.956 470 T CA -0.283 61.714 62.100 -0.171 0.000 0.987 470 T CB 0.804 69.597 68.868 -0.125 0.000 0.920 470 T HN 0.323 nan 8.240 nan 0.000 0.470 471 V N 3.514 123.389 119.914 -0.064 0.000 2.417 471 V HA 0.713 4.832 4.120 -0.001 0.000 0.291 471 V C 0.865 176.944 176.094 -0.025 0.000 1.024 471 V CA -0.528 61.759 62.300 -0.022 0.000 0.861 471 V CB 1.673 33.541 31.823 0.075 0.000 0.985 471 V HN 0.986 nan 8.190 nan 0.000 0.436 472 G N 2.679 111.463 108.800 -0.026 0.000 2.736 472 G HA2 0.663 4.623 3.960 -0.001 0.000 0.229 472 G HA3 0.663 4.623 3.960 -0.001 0.000 0.229 472 G C 0.030 174.917 174.900 -0.022 0.000 1.380 472 G CA -0.207 44.877 45.100 -0.026 0.000 1.040 472 G HN 1.028 nan 8.290 nan 0.000 0.568 473 A N -1.572 121.236 122.820 -0.020 0.000 2.477 473 A HA 0.508 4.828 4.320 -0.001 0.000 0.246 473 A C 1.445 179.020 177.584 -0.014 0.000 1.078 473 A CA 1.077 53.103 52.037 -0.018 0.000 0.770 473 A CB -0.504 18.487 19.000 -0.015 0.000 1.011 473 A HN 2.515 nan 8.150 nan 0.000 0.494 474 G N 0.963 109.753 108.800 -0.016 0.000 2.221 474 G HA2 0.158 4.118 3.960 -0.001 0.000 0.265 474 G HA3 0.158 4.118 3.960 -0.001 0.000 0.265 474 G C 1.579 176.472 174.900 -0.011 0.000 1.041 474 G CA 1.012 46.105 45.100 -0.012 0.000 0.807 474 G HN 2.804 nan 8.290 nan 0.000 0.502 475 G N -1.759 107.030 108.800 -0.018 0.000 2.175 475 G HA2 0.125 4.084 3.960 -0.001 0.000 0.265 475 G HA3 0.125 4.084 3.960 -0.001 0.000 0.265 475 G C 0.778 175.673 174.900 -0.008 0.000 0.979 475 G CA 1.315 46.404 45.100 -0.019 0.000 0.663 475 G HN 2.366 nan 8.290 nan 0.000 0.533 476 A N -0.034 122.785 122.820 -0.002 0.000 2.362 476 A HA 0.833 5.153 4.320 -0.001 0.000 0.276 476 A C 0.762 178.344 177.584 -0.004 0.000 1.153 476 A CA 0.859 52.901 52.037 0.008 0.000 0.813 476 A CB 0.630 19.637 19.000 0.012 0.000 1.081 476 A HN 2.000 nan 8.150 nan 0.000 0.507 477 A N 2.819 125.640 122.820 0.002 0.000 2.316 477 A HA 0.607 4.927 4.320 -0.001 0.000 0.284 477 A C 0.854 178.446 177.584 0.013 0.000 1.115 477 A CA 0.150 52.174 52.037 -0.021 0.000 0.812 477 A CB 0.100 19.085 19.000 -0.024 0.000 1.064 477 A HN 1.805 nan 8.150 nan 0.000 0.489 478 S N 2.897 118.596 115.700 -0.001 0.000 2.576 478 S HA 0.184 4.653 4.470 -0.001 0.000 0.276 478 S C 0.169 174.830 174.600 0.100 0.000 1.339 478 S CA -0.796 57.420 58.200 0.026 0.000 1.039 478 S CB 0.110 63.312 63.200 0.002 0.000 0.902 478 S HN 0.665 nan 8.310 nan 0.000 0.516 479 N N 1.477 120.217 118.700 0.066 0.000 2.344 479 N HA 0.429 5.168 4.740 -0.001 0.000 0.236 479 N C -0.316 175.286 175.510 0.153 0.000 1.279 479 N CA 0.203 53.275 53.050 0.037 0.000 0.882 479 N CB -0.340 38.122 38.487 -0.042 0.000 1.110 479 N HN 0.777 nan 8.380 nan 0.000 0.436 480 F N -3.432 116.455 119.950 -0.105 0.000 2.741 480 F HA 0.531 5.058 4.527 -0.000 0.000 0.313 480 F C -0.867 174.881 175.800 -0.085 0.000 1.153 480 F CA -1.155 56.797 58.000 -0.081 0.000 0.931 480 F CB 0.946 39.900 39.000 -0.078 0.000 1.335 480 F HN 0.081 nan 8.300 nan 0.000 0.460 481 T N 2.893 117.501 114.554 0.090 0.000 2.771 481 T HA 0.515 4.864 4.350 -0.001 0.000 0.281 481 T C -1.094 173.681 174.700 0.125 0.000 0.982 481 T CA -0.362 61.728 62.100 -0.016 0.000 0.978 481 T CB 1.377 70.255 68.868 0.017 0.000 0.930 481 T HN 0.672 nan 8.240 nan 0.000 0.447 482 L N 4.229 125.469 121.223 0.029 0.000 2.260 482 L HA 0.645 4.985 4.340 -0.001 0.000 0.289 482 L C 0.638 177.560 176.870 0.086 0.000 1.057 482 L CA -0.352 54.578 54.840 0.151 0.000 0.811 482 L CB -0.200 41.919 42.059 0.099 0.000 1.184 482 L HN 0.830 nan 8.230 nan 0.000 0.429 483 A N 6.934 129.814 122.820 0.101 0.000 2.577 483 A HA 0.274 4.593 4.320 -0.001 0.000 0.233 483 A C -2.214 175.406 177.584 0.059 0.000 1.076 483 A CA -0.615 51.464 52.037 0.070 0.000 0.767 483 A CB -0.997 18.044 19.000 0.068 0.000 1.017 483 A HN 0.693 nan 8.150 nan 0.000 0.511 484 P HA 0.226 nan 4.420 nan 0.000 0.264 484 P C 0.963 178.298 177.300 0.058 0.000 1.193 484 P CA 1.795 64.926 63.100 0.051 0.000 0.763 484 P CB 0.412 32.138 31.700 0.043 0.000 0.810 485 G N 2.309 111.151 108.800 0.070 0.000 2.175 485 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.265 485 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.265 485 G C 0.657 175.597 174.900 0.067 0.000 0.979 485 G CA -0.076 45.070 45.100 0.076 0.000 0.663 485 G HN 0.890 nan 8.290 nan 0.000 0.533 486 G N -0.611 108.229 108.800 0.067 0.000 2.441 486 G HA2 0.547 4.506 3.960 -0.001 0.000 0.243 486 G HA3 0.547 4.506 3.960 -0.001 0.000 0.243 486 G C -0.081 174.844 174.900 0.042 0.000 1.281 486 G CA 0.962 46.098 45.100 0.060 0.000 0.854 486 G HN 0.778 nan 8.290 nan 0.000 0.560 487 T N 0.253 114.803 114.554 -0.006 0.000 3.071 487 T HA 0.665 5.014 4.350 -0.001 0.000 0.311 487 T C -0.338 174.262 174.700 -0.166 0.000 1.042 487 T CA -0.006 62.054 62.100 -0.066 0.000 1.028 487 T CB 1.780 70.616 68.868 -0.053 0.000 1.068 487 T HN 1.142 nan 8.240 nan 0.000 0.451 488 A N 2.266 124.883 122.820 -0.338 0.000 2.539 488 A HA 0.910 5.229 4.320 -0.001 0.000 0.296 488 A C -1.391 175.615 177.584 -0.963 0.000 1.073 488 A CA -0.726 50.909 52.037 -0.671 0.000 0.700 488 A CB 1.686 20.162 19.000 -0.874 0.000 1.296 488 A HN 0.669 nan 8.150 nan 0.000 0.405 489 V N 1.988 121.309 119.914 -0.988 0.000 2.577 489 V HA 0.601 4.720 4.120 -0.001 0.000 0.303 489 V C -1.187 174.489 176.094 -0.697 0.000 1.042 489 V CA -0.477 61.412 62.300 -0.686 0.000 0.872 489 V CB 1.554 33.176 31.823 -0.336 0.000 0.998 489 V HN 0.834 nan 8.190 nan 0.000 0.423 490 W N 3.775 125.031 121.300 -0.072 0.000 2.844 490 W HA 0.752 5.411 4.660 -0.001 0.000 0.340 490 W C -0.317 176.133 176.519 -0.115 0.000 1.093 490 W CA -0.598 56.703 57.345 -0.073 0.000 1.212 490 W CB 2.222 31.609 29.460 -0.121 0.000 1.422 490 W HN 0.728 nan 8.180 nan 0.000 0.515 491 Q N 1.157 121.026 119.800 0.114 0.000 2.590 491 Q HA 0.674 5.014 4.340 -0.001 0.000 0.295 491 Q C -2.329 173.749 176.000 0.129 0.000 0.973 491 Q CA -1.026 54.812 55.803 0.058 0.000 0.768 491 Q CB 3.496 32.269 28.738 0.057 0.000 1.479 491 Q HN 0.365 nan 8.270 nan 0.000 0.419 492 Y N 0.564 120.856 120.300 -0.013 0.000 2.442 492 Y HA 0.557 5.107 4.550 -0.001 0.000 0.330 492 Y C -1.773 174.160 175.900 0.056 0.000 1.100 492 Y CA -0.027 58.111 58.100 0.062 0.000 1.034 492 Y CB 2.423 40.903 38.460 0.035 0.000 1.285 492 Y HN 0.927 nan 8.280 nan 0.000 0.440 493 T N 1.803 115.953 114.554 -0.673 0.000 2.876 493 T HA 0.915 5.264 4.350 -0.001 0.000 0.289 493 T C -0.732 173.577 174.700 -0.651 0.000 1.014 493 T CA -0.435 61.377 62.100 -0.481 0.000 0.986 493 T CB 1.952 70.689 68.868 -0.219 0.000 1.021 493 T HN 0.753 nan 8.240 nan 0.000 0.458 494 T N -0.391 113.957 114.554 -0.344 0.000 2.816 494 T HA 0.504 4.853 4.350 -0.001 0.000 0.299 494 T C -1.342 173.316 174.700 -0.070 0.000 1.230 494 T CA -1.077 60.916 62.100 -0.180 0.000 1.007 494 T CB 1.279 70.121 68.868 -0.044 0.000 1.289 494 T HN 0.615 nan 8.240 nan 0.000 0.508 495 D N 0.875 121.253 120.400 -0.037 0.000 2.382 495 D HA 0.489 5.128 4.640 -0.001 0.000 0.245 495 D C 0.077 176.366 176.300 -0.018 0.000 1.120 495 D CA 0.020 54.006 54.000 -0.024 0.000 0.890 495 D CB 1.278 42.069 40.800 -0.015 0.000 1.201 495 D HN 0.825 nan 8.370 nan 0.000 0.433 496 A N 1.052 123.850 122.820 -0.035 0.000 2.304 496 A HA 0.419 4.738 4.320 -0.001 0.000 0.301 496 A C 1.072 178.636 177.584 -0.033 0.000 1.132 496 A CA -0.474 51.532 52.037 -0.051 0.000 0.819 496 A CB 0.675 19.608 19.000 -0.113 0.000 1.094 496 A HN 0.567 nan 8.150 nan 0.000 0.492 497 T N -0.912 113.630 114.554 -0.019 0.000 3.040 497 T HA 0.124 4.473 4.350 -0.001 0.000 0.252 497 T C 0.776 175.485 174.700 0.014 0.000 1.064 497 T CA 0.950 63.052 62.100 0.004 0.000 1.110 497 T CB -0.154 68.721 68.868 0.011 0.000 0.921 497 T HN 0.518 nan 8.240 nan 0.000 0.480 498 T N 3.746 118.296 114.554 -0.007 0.000 2.907 498 T HA 0.457 4.806 4.350 -0.001 0.000 0.284 498 T C -2.751 171.950 174.700 0.002 0.000 1.004 498 T CA -1.396 60.709 62.100 0.008 0.000 1.063 498 T CB 1.441 70.301 68.868 -0.013 0.000 0.992 498 T HN -0.012 nan 8.240 nan 0.000 0.483 499 P HA 0.336 nan 4.420 nan 0.000 0.267 499 P C -0.908 176.414 177.300 0.036 0.000 1.205 499 P CA 0.026 63.217 63.100 0.152 0.000 0.765 499 P CB 0.270 32.161 31.700 0.318 0.000 0.828 500 I N 3.594 124.129 120.570 -0.058 0.000 2.569 500 I HA 0.382 4.551 4.170 -0.001 0.000 0.290 500 I C -0.171 175.988 176.117 0.070 0.000 1.088 500 I CA -0.702 60.524 61.300 -0.124 0.000 1.047 500 I CB 2.032 39.679 38.000 -0.588 0.000 1.237 500 I HN 0.110 nan 8.210 nan 0.000 0.421 501 I N 4.446 125.111 120.570 0.159 0.000 2.315 501 I HA 0.314 4.483 4.170 -0.001 0.000 0.291 501 I C 1.171 177.371 176.117 0.138 0.000 1.006 501 I CA 0.132 61.519 61.300 0.144 0.000 1.265 501 I CB 1.667 39.709 38.000 0.071 0.000 1.387 501 I HN 0.848 nan 8.210 nan 0.000 0.475 502 G N 5.055 113.751 108.800 -0.173 0.000 2.608 502 G HA2 0.065 4.025 3.960 -0.001 0.000 0.210 502 G HA3 0.065 4.025 3.960 -0.001 0.000 0.210 502 G C 0.312 175.037 174.900 -0.291 0.000 1.139 502 G CA 0.150 44.982 45.100 -0.447 0.000 0.812 502 G HN 0.652 nan 8.290 nan 0.000 0.529 503 N N -1.783 116.659 118.700 -0.430 0.000 2.859 503 N HA 0.419 5.158 4.740 -0.001 0.000 0.250 503 N C -2.199 173.005 175.510 -0.510 0.000 1.341 503 N CA -0.578 52.264 53.050 -0.346 0.000 0.881 503 N CB 2.274 40.731 38.487 -0.050 0.000 1.516 503 N HN -0.142 nan 8.380 nan 0.000 0.503 504 V N 0.648 120.248 119.914 -0.523 0.000 2.760 504 V HA 0.879 4.999 4.120 -0.001 0.000 0.309 504 V C -0.135 175.941 176.094 -0.031 0.000 1.077 504 V CA -0.448 61.649 62.300 -0.338 0.000 0.910 504 V CB 1.600 33.153 31.823 -0.451 0.000 1.008 504 V HN 0.822 nan 8.190 nan 0.000 0.424 505 G N 4.477 113.302 108.800 0.042 0.000 2.753 505 G HA2 0.716 4.675 3.960 -0.001 0.000 0.297 505 G HA3 0.716 4.675 3.960 -0.001 0.000 0.297 505 G C -3.328 171.650 174.900 0.131 0.000 1.430 505 G CA -1.155 44.021 45.100 0.126 0.000 1.040 505 G HN 0.486 nan 8.290 nan 0.000 0.530 506 P HA 0.198 nan 4.420 nan 0.000 0.274 506 P C 0.449 177.866 177.300 0.194 0.000 1.256 506 P CA -0.351 62.831 63.100 0.137 0.000 0.795 506 P CB 1.277 33.020 31.700 0.072 0.000 1.038 507 M N -0.196 119.438 119.600 0.056 0.000 2.383 507 M HA 0.263 4.742 4.480 -0.001 0.000 0.247 507 M C 0.627 176.590 176.300 -0.561 0.000 1.117 507 M CA 0.488 55.742 55.300 -0.077 0.000 0.995 507 M CB -0.096 32.530 32.600 0.044 0.000 1.480 507 M HN 0.433 nan 8.290 nan 0.000 0.485 508 M N 1.060 120.404 119.600 -0.427 0.000 2.234 508 M HA 0.602 5.081 4.480 -0.001 0.000 0.267 508 M C -2.172 173.996 176.300 -0.219 0.000 1.022 508 M CA -0.171 54.890 55.300 -0.399 0.000 0.993 508 M CB 1.943 34.405 32.600 -0.230 0.000 1.836 508 M HN 0.040 nan 8.290 nan 0.000 0.479 509 A N 3.887 126.614 122.820 -0.156 0.000 2.586 509 A HA 0.702 5.021 4.320 -0.001 0.000 0.290 509 A C -1.775 175.817 177.584 0.014 0.000 1.086 509 A CA -0.963 51.061 52.037 -0.022 0.000 0.665 509 A CB 1.713 20.754 19.000 0.069 0.000 1.279 509 A HN 0.855 nan 8.150 nan 0.000 0.423 510 K N 0.028 120.434 120.400 0.010 0.000 2.098 510 K HA 0.648 4.967 4.320 -0.001 0.000 0.244 510 K C -2.699 173.900 176.600 -0.003 0.000 1.014 510 K CA -1.636 54.654 56.287 0.006 0.000 0.917 510 K CB 0.149 32.646 32.500 -0.005 0.000 1.072 510 K HN 0.250 nan 8.250 nan 0.000 0.477 511 P HA -0.080 nan 4.420 nan 0.000 0.263 511 P C 0.459 177.720 177.300 -0.064 0.000 1.175 511 P CA 1.609 64.659 63.100 -0.082 0.000 0.761 511 P CB 0.376 32.022 31.700 -0.089 0.000 0.794 512 G N 0.849 109.598 108.800 -0.085 0.000 2.217 512 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.246 512 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.246 512 G C 0.146 175.024 174.900 -0.037 0.000 0.990 512 G CA -0.120 44.944 45.100 -0.059 0.000 0.627 512 G HN 0.543 nan 8.290 nan 0.000 0.522 513 V N 2.090 121.993 119.914 -0.018 0.000 2.686 513 V HA 0.454 4.573 4.120 -0.001 0.000 0.295 513 V C 1.047 177.147 176.094 0.010 0.000 1.055 513 V CA 0.524 62.827 62.300 0.005 0.000 1.050 513 V CB 1.456 33.300 31.823 0.035 0.000 0.984 513 V HN 0.308 nan 8.190 nan 0.000 0.482 514 T N 6.792 121.347 114.554 0.002 0.000 2.737 514 T HA 0.446 4.796 4.350 -0.001 0.000 0.296 514 T C 0.017 174.731 174.700 0.024 0.000 0.922 514 T CA 0.079 62.180 62.100 0.001 0.000 1.079 514 T CB -0.175 68.684 68.868 -0.016 0.000 0.892 514 T HN 0.568 nan 8.240 nan 0.000 0.514 515 I N 0.354 120.947 120.570 0.037 0.000 2.676 515 I HA 0.685 4.855 4.170 -0.001 0.000 0.309 515 I C -0.070 176.034 176.117 -0.020 0.000 0.990 515 I CA -0.786 60.544 61.300 0.050 0.000 1.168 515 I CB 1.620 39.676 38.000 0.094 0.000 1.343 515 I HN 0.256 nan 8.210 nan 0.000 0.482 516 T N 5.382 119.919 114.554 -0.028 0.000 2.779 516 T HA 0.598 4.948 4.350 -0.001 0.000 0.280 516 T C -0.233 174.391 174.700 -0.127 0.000 0.987 516 T CA -0.204 61.852 62.100 -0.074 0.000 0.966 516 T CB 0.833 69.677 68.868 -0.040 0.000 0.933 516 T HN 0.371 nan 8.240 nan 0.000 0.442 517 I N 3.583 124.038 120.570 -0.193 0.000 2.355 517 I HA 0.366 4.536 4.170 -0.001 0.000 0.288 517 I C -0.490 175.558 176.117 -0.115 0.000 0.999 517 I CA -0.795 60.353 61.300 -0.253 0.000 1.163 517 I CB 1.410 39.157 38.000 -0.421 0.000 1.316 517 I HN 0.441 nan 8.210 nan 0.000 0.454 518 D N 4.744 125.083 120.400 -0.102 0.000 2.248 518 D HA 0.777 5.416 4.640 -0.001 0.000 0.246 518 D C 0.240 176.413 176.300 -0.211 0.000 1.027 518 D CA -0.032 53.927 54.000 -0.069 0.000 0.853 518 D CB 2.510 43.236 40.800 -0.123 0.000 1.243 518 D HN 0.775 nan 8.370 nan 0.000 0.462 519 G N 0.780 109.393 108.800 -0.312 0.000 2.485 519 G HA2 0.308 4.267 3.960 -0.001 0.000 0.182 519 G HA3 0.308 4.267 3.960 -0.001 0.000 0.182 519 G C -1.290 173.303 174.900 -0.511 0.000 1.172 519 G CA -0.592 44.259 45.100 -0.415 0.000 0.996 519 G HN 0.288 nan 8.290 nan 0.000 0.496 520 R N -0.837 119.327 120.500 -0.560 0.000 2.740 520 R HA 0.614 4.953 4.340 -0.001 0.000 0.273 520 R C 0.407 176.369 176.300 -0.565 0.000 0.998 520 R CA -0.023 55.791 56.100 -0.477 0.000 0.900 520 R CB 1.343 31.610 30.300 -0.056 0.000 1.223 520 R HN 2.213 nan 8.270 nan 0.000 0.466 521 G N 0.920 109.505 108.800 -0.358 0.000 2.137 521 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.237 521 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.237 521 G C 0.530 175.458 174.900 0.047 0.000 1.002 521 G CA 0.361 45.383 45.100 -0.131 0.000 0.702 521 G HN 0.581 nan 8.290 nan 0.000 0.515 522 F N 0.857 120.818 119.950 0.019 0.000 2.367 522 F HA 0.322 4.849 4.527 -0.001 0.000 0.298 522 F C 2.021 178.027 175.800 0.344 0.000 1.094 522 F CA 0.772 58.821 58.000 0.081 0.000 1.409 522 F CB 0.167 38.987 39.000 -0.300 0.000 1.064 522 F HN 0.859 nan 8.300 nan 0.000 0.528 523 G N 0.297 109.324 108.800 0.378 0.000 2.781 523 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.683 523 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.683 523 G C 0.359 175.510 174.900 0.418 0.000 1.390 523 G CA -0.312 44.981 45.100 0.322 0.000 0.850 523 G HN 0.122 nan 8.290 nan 0.000 0.557 524 S N -0.097 115.751 115.700 0.247 0.000 2.478 524 S HA 0.352 4.822 4.470 -0.001 0.000 0.222 524 S C 1.451 176.140 174.600 0.148 0.000 1.008 524 S CA 0.972 59.307 58.200 0.226 0.000 0.928 524 S CB 0.456 63.725 63.200 0.116 0.000 0.781 524 S HN 1.634 nan 8.310 nan 0.000 0.518 525 G N 1.794 110.601 108.800 0.013 0.000 2.353 525 G HA2 0.399 4.359 3.960 -0.001 0.000 0.284 525 G HA3 0.399 4.359 3.960 -0.001 0.000 0.284 525 G C -0.500 174.039 174.900 -0.601 0.000 1.172 525 G CA -0.618 44.374 45.100 -0.180 0.000 0.854 525 G HN 0.241 nan 8.290 nan 0.000 0.485 526 K N 1.639 121.634 120.400 -0.675 0.000 2.484 526 K HA 0.315 4.634 4.320 -0.001 0.000 0.280 526 K C 0.924 176.770 176.600 -1.256 0.000 1.013 526 K CA 0.570 56.171 56.287 -1.143 0.000 1.029 526 K CB 0.310 32.531 32.500 -0.464 0.000 0.902 526 K HN 0.522 nan 8.250 nan 0.000 0.481 527 G N 1.985 109.537 108.800 -2.080 0.000 3.356 527 G HA2 0.351 4.311 3.960 -0.001 0.000 0.178 527 G HA3 0.351 4.311 3.960 -0.001 0.000 0.178 527 G C -1.031 173.537 174.900 -0.554 0.000 1.175 527 G CA -0.359 44.101 45.100 -1.067 0.000 0.840 527 G HN 0.560 nan 8.290 nan 0.000 0.658 528 T N -0.147 114.308 114.554 -0.164 0.000 2.893 528 T HA 0.579 4.928 4.350 -0.001 0.000 0.293 528 T C -0.989 173.668 174.700 -0.072 0.000 1.027 528 T CA -0.213 61.801 62.100 -0.142 0.000 0.988 528 T CB 2.046 70.761 68.868 -0.256 0.000 1.043 528 T HN 0.340 nan 8.240 nan 0.000 0.461 529 V N 3.044 122.861 119.914 -0.161 0.000 2.555 529 V HA 0.517 4.637 4.120 -0.001 0.000 0.302 529 V C -1.323 174.586 176.094 -0.308 0.000 1.038 529 V CA -0.939 61.259 62.300 -0.171 0.000 0.887 529 V CB 1.300 33.068 31.823 -0.091 0.000 0.991 529 V HN 0.832 nan 8.190 nan 0.000 0.434 530 Y N 3.325 123.583 120.300 -0.071 0.000 2.352 530 Y HA 0.634 5.184 4.550 -0.001 0.000 0.339 530 Y C -0.509 175.312 175.900 -0.132 0.000 0.992 530 Y CA -0.534 57.563 58.100 -0.005 0.000 1.100 530 Y CB 1.715 40.172 38.460 -0.004 0.000 1.192 530 Y HN 0.515 nan 8.280 nan 0.000 0.458 531 F N 2.379 122.379 119.950 0.083 0.000 2.347 531 F HA 0.540 5.066 4.527 -0.001 0.000 0.366 531 F C 0.943 176.865 175.800 0.204 0.000 1.107 531 F CA -0.422 57.590 58.000 0.019 0.000 1.058 531 F CB 1.078 39.936 39.000 -0.236 0.000 1.236 531 F HN 0.790 nan 8.300 nan 0.000 0.456 532 G N 2.557 111.615 108.800 0.430 0.000 2.622 532 G HA2 -0.395 3.564 3.960 -0.001 0.000 0.307 532 G HA3 -0.395 3.564 3.960 -0.001 0.000 0.307 532 G C 1.112 176.173 174.900 0.269 0.000 1.226 532 G CA 0.677 45.995 45.100 0.362 0.000 0.997 532 G HN 0.749 nan 8.290 nan 0.000 0.551 533 T N -1.584 113.121 114.554 0.251 0.000 3.081 533 T HA 0.357 4.707 4.350 -0.001 0.000 0.250 533 T C 1.140 176.036 174.700 0.326 0.000 1.100 533 T CA 1.416 63.647 62.100 0.218 0.000 1.038 533 T CB -0.003 68.945 68.868 0.134 0.000 0.962 533 T HN 0.742 nan 8.240 nan 0.000 0.516 534 T N 3.469 118.204 114.554 0.303 0.000 2.769 534 T HA 0.543 4.893 4.350 -0.001 0.000 0.293 534 T C 0.314 175.123 174.700 0.183 0.000 0.931 534 T CA -0.406 61.821 62.100 0.212 0.000 1.139 534 T CB 0.457 69.403 68.868 0.130 0.000 0.881 534 T HN 0.504 nan 8.240 nan 0.000 0.532 535 A N 3.945 126.795 122.820 0.051 0.000 2.328 535 A HA 0.623 4.943 4.320 -0.001 0.000 0.284 535 A C -0.131 177.368 177.584 -0.143 0.000 1.160 535 A CA -0.589 51.318 52.037 -0.216 0.000 0.818 535 A CB 0.518 19.396 19.000 -0.202 0.000 1.087 535 A HN 0.679 nan 8.150 nan 0.000 0.504 536 V N 2.833 122.646 119.914 -0.168 0.000 2.495 536 V HA 0.704 4.823 4.120 -0.001 0.000 0.298 536 V C 0.168 176.198 176.094 -0.107 0.000 1.031 536 V CA -0.193 62.055 62.300 -0.087 0.000 0.871 536 V CB 1.660 33.482 31.823 -0.001 0.000 0.988 536 V HN 1.072 nan 8.190 nan 0.000 0.432 537 T N 1.780 116.281 114.554 -0.088 0.000 2.778 537 T HA 0.767 5.117 4.350 -0.001 0.000 0.293 537 T C 0.602 175.258 174.700 -0.074 0.000 1.144 537 T CA 0.272 62.312 62.100 -0.099 0.000 1.010 537 T CB 1.568 70.368 68.868 -0.112 0.000 1.325 537 T HN 1.335 nan 8.240 nan 0.000 0.515 538 G N 1.332 110.078 108.800 -0.089 0.000 2.651 538 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.315 538 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.315 538 G C 1.328 176.201 174.900 -0.045 0.000 1.258 538 G CA 0.831 45.887 45.100 -0.072 0.000 1.002 538 G HN 1.513 nan 8.290 nan 0.000 0.551 539 A N -0.670 122.128 122.820 -0.038 0.000 2.172 539 A HA 0.152 4.471 4.320 -0.001 0.000 0.216 539 A C 1.872 179.443 177.584 -0.022 0.000 1.154 539 A CA 2.107 54.129 52.037 -0.026 0.000 0.701 539 A CB -0.301 18.684 19.000 -0.026 0.000 0.789 539 A HN 0.584 nan 8.150 nan 0.000 0.465 540 D N -0.322 120.061 120.400 -0.028 0.000 2.347 540 D HA 0.054 4.694 4.640 -0.001 0.000 0.215 540 D C 0.241 176.536 176.300 -0.008 0.000 0.976 540 D CA 0.557 54.540 54.000 -0.028 0.000 0.884 540 D CB 0.090 40.863 40.800 -0.045 0.000 0.915 540 D HN 0.437 nan 8.370 nan 0.000 0.526 541 I N 1.414 121.991 120.570 0.013 0.000 2.291 541 I HA -0.002 4.168 4.170 -0.001 0.000 0.290 541 I C 1.496 177.641 176.117 0.046 0.000 1.050 541 I CA -0.484 60.849 61.300 0.056 0.000 1.245 541 I CB 1.963 40.040 38.000 0.129 0.000 1.405 541 I HN -0.296 nan 8.210 nan 0.000 0.478 542 V N 5.843 125.774 119.914 0.029 0.000 2.427 542 V HA -0.032 4.088 4.120 -0.001 0.000 0.248 542 V C 0.967 177.082 176.094 0.035 0.000 1.051 542 V CA 1.392 63.702 62.300 0.017 0.000 1.048 542 V CB -0.459 31.363 31.823 -0.001 0.000 0.666 542 V HN 0.844 nan 8.190 nan 0.000 0.456 543 A N -1.512 121.340 122.820 0.054 0.000 2.547 543 A HA 0.606 4.926 4.320 -0.001 0.000 0.297 543 A C -1.952 175.712 177.584 0.133 0.000 1.056 543 A CA -0.398 51.683 52.037 0.074 0.000 0.688 543 A CB 1.546 20.561 19.000 0.024 0.000 1.282 543 A HN 0.252 nan 8.150 nan 0.000 0.400 544 W N 3.119 124.405 121.300 -0.024 0.000 2.900 544 W HA 0.585 5.244 4.660 -0.001 0.000 0.336 544 W C -0.918 175.617 176.519 0.028 0.000 1.064 544 W CA -0.207 57.129 57.345 -0.015 0.000 1.237 544 W CB 1.817 31.257 29.460 -0.032 0.000 1.391 544 W HN 1.055 nan 8.180 nan 0.000 0.468 545 E N 1.310 121.520 120.200 0.016 0.000 2.456 545 E HA 0.186 4.536 4.350 -0.001 0.000 0.278 545 E C -0.530 176.123 176.600 0.089 0.000 1.034 545 E CA -0.580 55.910 56.400 0.149 0.000 0.846 545 E CB 1.496 31.250 29.700 0.091 0.000 1.460 545 E HN 0.188 nan 8.360 nan 0.000 0.463 546 D N -0.379 120.079 120.400 0.097 0.000 2.178 546 D HA -0.145 4.495 4.640 -0.001 0.000 0.201 546 D C 1.619 177.800 176.300 -0.199 0.000 0.980 546 D CA 2.504 56.517 54.000 0.023 0.000 0.842 546 D CB 0.234 41.035 40.800 0.001 0.000 0.948 546 D HN 0.549 nan 8.370 nan 0.000 0.472 547 T N -3.659 110.816 114.554 -0.132 0.000 3.001 547 T HA 0.136 4.485 4.350 -0.001 0.000 0.251 547 T C 0.580 175.257 174.700 -0.038 0.000 1.040 547 T CA -0.458 61.504 62.100 -0.230 0.000 0.985 547 T CB 0.414 69.213 68.868 -0.114 0.000 1.011 547 T HN 0.065 nan 8.240 nan 0.000 0.509 548 Q N 0.165 120.035 119.800 0.116 0.000 2.284 548 Q HA 0.629 4.968 4.340 -0.001 0.000 0.269 548 Q C -2.035 173.906 176.000 -0.098 0.000 1.026 548 Q CA -0.764 55.086 55.803 0.079 0.000 0.831 548 Q CB 2.010 30.739 28.738 -0.014 0.000 1.322 548 Q HN 0.440 nan 8.270 nan 0.000 0.419 549 I N 2.853 123.241 120.570 -0.304 0.000 2.433 549 I HA 0.346 4.515 4.170 -0.001 0.000 0.292 549 I C -0.610 175.353 176.117 -0.257 0.000 1.001 549 I CA -0.618 60.390 61.300 -0.488 0.000 1.119 549 I CB 2.086 39.511 38.000 -0.957 0.000 1.289 549 I HN 0.499 nan 8.210 nan 0.000 0.438 550 Q N 5.174 124.890 119.800 -0.140 0.000 2.333 550 Q HA 0.634 4.974 4.340 -0.001 0.000 0.268 550 Q C -1.333 174.639 176.000 -0.046 0.000 1.007 550 Q CA -0.509 55.244 55.803 -0.083 0.000 0.810 550 Q CB 3.245 31.954 28.738 -0.049 0.000 1.264 550 Q HN 0.472 nan 8.270 nan 0.000 0.452 551 V N 2.867 122.757 119.914 -0.039 0.000 2.841 551 V HA 0.403 4.523 4.120 -0.001 0.000 0.310 551 V C -1.321 174.779 176.094 0.009 0.000 1.090 551 V CA -0.769 61.531 62.300 -0.001 0.000 0.930 551 V CB 2.225 34.053 31.823 0.008 0.000 1.014 551 V HN 0.655 nan 8.190 nan 0.000 0.425 552 K N 5.758 126.150 120.400 -0.014 0.000 2.298 552 K HA 0.480 4.800 4.320 -0.001 0.000 0.280 552 K C -0.316 176.206 176.600 -0.130 0.000 1.032 552 K CA -0.141 56.116 56.287 -0.051 0.000 0.958 552 K CB 0.960 33.423 32.500 -0.061 0.000 0.978 552 K HN 0.598 nan 8.250 nan 0.000 0.472 553 I N 6.284 126.743 120.570 -0.184 0.000 2.598 553 I HA 0.021 4.191 4.170 -0.001 0.000 0.284 553 I C -1.519 174.305 176.117 -0.488 0.000 1.140 553 I CA -1.628 59.379 61.300 -0.489 0.000 1.420 553 I CB 0.224 38.069 38.000 -0.259 0.000 1.387 553 I HN 0.427 nan 8.210 nan 0.000 0.553 554 P HA 0.083 nan 4.420 nan 0.000 0.274 554 P C -0.773 176.336 177.300 -0.317 0.000 1.246 554 P CA -0.566 62.286 63.100 -0.413 0.000 0.795 554 P CB 0.833 32.285 31.700 -0.414 0.000 1.006 555 A N 1.860 124.566 122.820 -0.189 0.000 2.915 555 A HA 0.418 4.737 4.320 -0.001 0.000 0.292 555 A C 0.575 178.099 177.584 -0.099 0.000 1.632 555 A CA -0.377 51.587 52.037 -0.122 0.000 1.337 555 A CB -1.392 17.563 19.000 -0.074 0.000 1.111 555 A HN 0.388 nan 8.150 nan 0.000 0.569 556 V N -0.435 119.400 119.914 -0.133 0.000 2.881 556 V HA 0.689 4.808 4.120 -0.001 0.000 0.316 556 V C -2.651 173.474 176.094 0.051 0.000 1.070 556 V CA -2.700 59.566 62.300 -0.057 0.000 0.976 556 V CB 0.856 32.550 31.823 -0.216 0.000 1.038 556 V HN 0.459 nan 8.190 nan 0.000 0.446 557 P HA 0.248 nan 4.420 nan 0.000 0.267 557 P C 0.384 177.840 177.300 0.261 0.000 1.201 557 P CA 0.628 63.836 63.100 0.181 0.000 0.775 557 P CB 0.222 32.026 31.700 0.173 0.000 0.854 558 G N 0.628 109.531 108.800 0.171 0.000 2.544 558 G HA2 0.492 4.452 3.960 -0.001 0.000 0.242 558 G HA3 0.492 4.452 3.960 -0.001 0.000 0.242 558 G C 0.112 175.125 174.900 0.188 0.000 1.247 558 G CA 0.385 45.592 45.100 0.179 0.000 0.840 558 G HN 0.801 nan 8.290 nan 0.000 0.578 559 G N -0.414 108.508 108.800 0.202 0.000 2.362 559 G HA2 0.317 4.276 3.960 -0.001 0.000 0.288 559 G HA3 0.317 4.276 3.960 -0.001 0.000 0.288 559 G C -1.614 173.356 174.900 0.116 0.000 1.305 559 G CA -0.884 44.260 45.100 0.074 0.000 0.910 559 G HN 0.697 nan 8.290 nan 0.000 0.518 560 I N 0.981 121.535 120.570 -0.027 0.000 2.336 560 I HA 0.629 4.799 4.170 -0.001 0.000 0.292 560 I C -0.594 175.494 176.117 -0.048 0.000 0.991 560 I CA -0.592 60.743 61.300 0.060 0.000 1.227 560 I CB 0.900 38.913 38.000 0.022 0.000 1.366 560 I HN 0.435 nan 8.210 nan 0.000 0.466 561 Y N 3.658 124.100 120.300 0.236 0.000 2.549 561 Y HA 0.519 5.069 4.550 -0.001 0.000 0.339 561 Y C -0.107 175.914 175.900 0.203 0.000 1.053 561 Y CA -0.943 57.302 58.100 0.242 0.000 1.105 561 Y CB 1.292 39.965 38.460 0.353 0.000 1.258 561 Y HN 0.426 nan 8.280 nan 0.000 0.478 562 D N 1.736 122.313 120.400 0.296 0.000 2.185 562 D HA 0.461 5.100 4.640 -0.001 0.000 0.247 562 D C -0.556 175.792 176.300 0.080 0.000 1.027 562 D CA -0.149 53.949 54.000 0.163 0.000 0.861 562 D CB 2.102 42.961 40.800 0.097 0.000 1.202 562 D HN 0.349 nan 8.370 nan 0.000 0.453 563 I N 1.104 121.668 120.570 -0.010 0.000 2.525 563 I HA 0.478 4.647 4.170 -0.001 0.000 0.301 563 I C 0.251 176.324 176.117 -0.074 0.000 0.992 563 I CA -0.683 60.480 61.300 -0.228 0.000 1.162 563 I CB 1.805 39.575 38.000 -0.383 0.000 1.332 563 I HN 0.046 nan 8.210 nan 0.000 0.458 564 R N 3.361 123.816 120.500 -0.074 0.000 2.629 564 R HA 0.685 5.025 4.340 -0.001 0.000 0.266 564 R C -2.117 174.230 176.300 0.077 0.000 1.051 564 R CA -0.524 55.598 56.100 0.036 0.000 0.895 564 R CB 2.367 32.708 30.300 0.067 0.000 1.246 564 R HN 0.402 nan 8.270 nan 0.000 0.459 565 V N 1.753 121.706 119.914 0.066 0.000 2.815 565 V HA 0.872 4.991 4.120 -0.001 0.000 0.314 565 V C -0.718 175.492 176.094 0.194 0.000 1.064 565 V CA -0.623 61.710 62.300 0.055 0.000 0.952 565 V CB 1.846 33.564 31.823 -0.175 0.000 1.020 565 V HN 0.899 nan 8.190 nan 0.000 0.439 566 A N 2.997 125.970 122.820 0.256 0.000 2.359 566 A HA 0.758 5.077 4.320 -0.001 0.000 0.303 566 A C -0.340 177.399 177.584 0.259 0.000 1.066 566 A CA -0.784 51.398 52.037 0.242 0.000 0.730 566 A CB 0.997 20.151 19.000 0.256 0.000 1.211 566 A HN 0.948 nan 8.150 nan 0.000 0.439 567 N N 1.692 120.545 118.700 0.255 0.000 2.327 567 N HA 0.367 5.107 4.740 -0.001 0.000 0.257 567 N C 1.110 176.642 175.510 0.035 0.000 1.281 567 N CA 0.090 53.298 53.050 0.263 0.000 0.942 567 N CB 0.352 39.006 38.487 0.279 0.000 1.199 567 N HN 0.654 nan 8.380 nan 0.000 0.532 568 A N -1.289 121.487 122.820 -0.073 0.000 2.186 568 A HA 0.048 4.368 4.320 -0.001 0.000 0.219 568 A C 1.727 179.280 177.584 -0.053 0.000 1.159 568 A CA 1.688 53.646 52.037 -0.131 0.000 0.680 568 A CB -1.216 17.692 19.000 -0.155 0.000 0.787 568 A HN 0.868 nan 8.150 nan 0.000 0.467 569 A N -2.260 120.559 122.820 -0.002 0.000 2.348 569 A HA 0.466 4.786 4.320 -0.001 0.000 0.224 569 A C 1.607 179.205 177.584 0.023 0.000 1.227 569 A CA 0.971 53.013 52.037 0.008 0.000 0.885 569 A CB -0.569 18.443 19.000 0.020 0.000 0.933 569 A HN 1.793 nan 8.150 nan 0.000 0.506 570 G N -1.465 107.356 108.800 0.036 0.000 2.141 570 G HA2 0.082 4.042 3.960 -0.001 0.000 0.242 570 G HA3 0.082 4.042 3.960 -0.001 0.000 0.242 570 G C 0.397 175.338 174.900 0.068 0.000 0.982 570 G CA 0.235 45.369 45.100 0.057 0.000 0.662 570 G HN 1.609 nan 8.290 nan 0.000 0.527 571 A N -0.068 122.797 122.820 0.075 0.000 2.362 571 A HA 0.863 5.182 4.320 -0.001 0.000 0.276 571 A C 0.706 178.351 177.584 0.101 0.000 1.153 571 A CA 0.935 53.016 52.037 0.074 0.000 0.813 571 A CB 0.721 19.763 19.000 0.070 0.000 1.081 571 A HN 2.043 nan 8.150 nan 0.000 0.507 572 A N 2.540 125.408 122.820 0.080 0.000 2.312 572 A HA 0.711 5.030 4.320 -0.001 0.000 0.328 572 A C 0.742 178.369 177.584 0.072 0.000 1.158 572 A CA 0.083 52.174 52.037 0.090 0.000 0.821 572 A CB 0.507 19.537 19.000 0.050 0.000 1.170 572 A HN 1.697 nan 8.150 nan 0.000 0.490 573 S N 1.970 117.723 115.700 0.087 0.000 2.652 573 S HA 0.303 4.772 4.470 -0.001 0.000 0.267 573 S C 0.401 175.031 174.600 0.050 0.000 1.201 573 S CA -0.492 57.752 58.200 0.074 0.000 0.996 573 S CB 0.083 63.348 63.200 0.109 0.000 1.054 573 S HN 0.924 nan 8.310 nan 0.000 0.561 574 N N 0.032 118.763 118.700 0.051 0.000 2.326 574 N HA 0.079 4.819 4.740 -0.001 0.000 0.239 574 N C -0.456 175.099 175.510 0.075 0.000 1.301 574 N CA -0.398 52.685 53.050 0.055 0.000 0.909 574 N CB -0.192 38.336 38.487 0.069 0.000 1.156 574 N HN 0.558 nan 8.380 nan 0.000 0.462 575 I N 0.834 121.442 120.570 0.063 0.000 2.342 575 I HA 0.079 4.248 4.170 -0.001 0.000 0.291 575 I C -0.497 175.680 176.117 0.101 0.000 1.010 575 I CA -0.493 60.845 61.300 0.063 0.000 1.308 575 I CB -0.339 37.677 38.000 0.027 0.000 1.400 575 I HN 0.511 nan 8.210 nan 0.000 0.488 576 Y N 7.000 127.300 120.300 0.000 0.000 2.434 576 Y HA 0.196 4.745 4.550 -0.001 0.000 0.341 576 Y C 0.389 176.318 175.900 0.048 0.000 0.965 576 Y CA -0.780 57.333 58.100 0.020 0.000 1.205 576 Y CB 0.365 38.822 38.460 -0.006 0.000 1.121 576 Y HN 0.617 nan 8.280 nan 0.000 0.507 577 D N 1.797 122.103 120.400 -0.156 0.000 2.506 577 D HA 0.134 4.773 4.640 -0.001 0.000 0.272 577 D C 0.000 176.316 176.300 0.026 0.000 1.214 577 D CA -0.672 53.312 54.000 -0.026 0.000 1.067 577 D CB 0.335 41.102 40.800 -0.054 0.000 1.117 577 D HN 0.640 nan 8.370 nan 0.000 0.578 578 N N -2.695 116.052 118.700 0.079 0.000 2.725 578 N HA -0.240 4.499 4.740 -0.001 0.000 0.249 578 N C -1.204 174.412 175.510 0.177 0.000 1.103 578 N CA 0.008 53.111 53.050 0.089 0.000 0.707 578 N CB -1.348 37.150 38.487 0.019 0.000 1.043 578 N HN 0.395 nan 8.380 nan 0.000 0.553 579 F N 1.700 121.741 119.950 0.153 0.000 2.438 579 F HA 0.278 4.804 4.527 -0.001 0.000 0.356 579 F C 0.572 176.506 175.800 0.223 0.000 1.099 579 F CA -0.372 57.749 58.000 0.202 0.000 1.185 579 F CB 0.795 39.938 39.000 0.238 0.000 1.115 579 F HN 0.054 nan 8.300 nan 0.000 0.526 580 E N 5.803 125.758 120.200 -0.409 0.000 2.081 580 E HA 0.350 4.699 4.350 -0.001 0.000 0.276 580 E C -1.341 175.152 176.600 -0.179 0.000 0.950 580 E CA -0.673 55.636 56.400 -0.151 0.000 0.776 580 E CB 1.063 30.675 29.700 -0.146 0.000 1.094 580 E HN 0.506 nan 8.360 nan 0.000 0.402 581 V N 6.340 126.381 119.914 0.210 0.000 2.488 581 V HA 0.161 4.281 4.120 -0.001 0.000 0.277 581 V C 0.473 176.630 176.094 0.106 0.000 1.046 581 V CA -0.312 62.109 62.300 0.202 0.000 0.986 581 V CB 0.848 32.815 31.823 0.241 0.000 0.989 581 V HN 0.686 nan 8.190 nan 0.000 0.475 582 L N 3.986 125.231 121.223 0.036 0.000 2.399 582 L HA 0.285 4.625 4.340 -0.001 0.000 0.266 582 L C 1.633 178.521 176.870 0.031 0.000 1.114 582 L CA -0.272 54.578 54.840 0.017 0.000 0.804 582 L CB 1.305 43.353 42.059 -0.018 0.000 1.146 582 L HN 0.690 nan 8.230 nan 0.000 0.451 583 T N 0.403 114.974 114.554 0.027 0.000 2.962 583 T HA 0.104 4.454 4.350 -0.001 0.000 0.270 583 T C 0.647 175.355 174.700 0.014 0.000 1.088 583 T CA 0.938 63.055 62.100 0.028 0.000 1.127 583 T CB 0.021 68.905 68.868 0.025 0.000 0.883 583 T HN 0.900 nan 8.240 nan 0.000 0.493 584 G N -0.000 108.803 108.800 0.005 0.000 2.356 584 G HA2 0.261 4.220 3.960 -0.001 0.000 0.281 584 G HA3 0.261 4.220 3.960 -0.001 0.000 0.281 584 G C -2.079 172.816 174.900 -0.008 0.000 1.246 584 G CA -0.857 44.242 45.100 -0.001 0.000 0.889 584 G HN 0.046 nan 8.290 nan 0.000 0.486 585 D N 0.652 121.047 120.400 -0.009 0.000 2.361 585 D HA 0.356 4.996 4.640 -0.001 0.000 0.239 585 D C -0.089 176.202 176.300 -0.016 0.000 1.200 585 D CA 0.502 54.492 54.000 -0.016 0.000 0.915 585 D CB 0.786 41.580 40.800 -0.011 0.000 1.170 585 D HN 0.225 nan 8.370 nan 0.000 0.444 586 Q N 0.021 119.805 119.800 -0.028 0.000 2.399 586 Q HA 0.602 4.941 4.340 -0.001 0.000 0.276 586 Q C -0.378 175.617 176.000 -0.008 0.000 1.098 586 Q CA -0.995 54.793 55.803 -0.025 0.000 0.827 586 Q CB 2.354 31.056 28.738 -0.060 0.000 1.386 586 Q HN 0.346 nan 8.270 nan 0.000 0.443 587 V N -2.453 117.474 119.914 0.021 0.000 3.114 587 V HA 0.734 4.853 4.120 -0.001 0.000 0.308 587 V C -0.455 175.684 176.094 0.075 0.000 1.168 587 V CA -0.865 61.468 62.300 0.055 0.000 1.015 587 V CB 1.951 33.820 31.823 0.076 0.000 1.050 587 V HN 0.691 nan 8.190 nan 0.000 0.433 588 T N 2.100 116.726 114.554 0.121 0.000 2.767 588 T HA 0.691 5.040 4.350 -0.001 0.000 0.284 588 T C -0.325 174.471 174.700 0.160 0.000 0.973 588 T CA -0.327 61.864 62.100 0.152 0.000 0.996 588 T CB 1.373 70.389 68.868 0.248 0.000 0.927 588 T HN 0.707 nan 8.240 nan 0.000 0.456 589 V N 3.507 123.512 119.914 0.151 0.000 2.581 589 V HA 0.519 4.638 4.120 -0.001 0.000 0.303 589 V C 0.256 176.377 176.094 0.045 0.000 1.041 589 V CA -1.120 61.190 62.300 0.016 0.000 0.907 589 V CB 1.904 33.638 31.823 -0.148 0.000 0.994 589 V HN 0.748 nan 8.190 nan 0.000 0.442 590 R N 3.160 123.645 120.500 -0.024 0.000 2.254 590 R HA 0.501 4.841 4.340 -0.001 0.000 0.318 590 R C -1.589 174.700 176.300 -0.020 0.000 1.031 590 R CA -0.228 55.944 56.100 0.119 0.000 0.905 590 R CB 0.556 30.946 30.300 0.151 0.000 1.050 590 R HN 0.545 nan 8.270 nan 0.000 0.456 591 F N 4.021 124.061 119.950 0.150 0.000 2.444 591 F HA 0.400 4.927 4.527 -0.001 0.000 0.342 591 F C -0.377 175.551 175.800 0.215 0.000 1.121 591 F CA -0.857 57.244 58.000 0.168 0.000 0.997 591 F CB 2.094 41.227 39.000 0.223 0.000 1.130 591 F HN 0.112 nan 8.300 nan 0.000 0.454 592 V N 5.344 125.382 119.914 0.207 0.000 2.487 592 V HA 0.483 4.603 4.120 -0.001 0.000 0.298 592 V C -0.670 175.382 176.094 -0.071 0.000 1.028 592 V CA -0.821 61.468 62.300 -0.019 0.000 0.860 592 V CB 2.102 33.711 31.823 -0.357 0.000 0.991 592 V HN 0.661 nan 8.190 nan 0.000 0.427 593 I N 4.787 125.288 120.570 -0.115 0.000 2.498 593 I HA 0.548 4.718 4.170 -0.001 0.000 0.290 593 I C -0.436 175.658 176.117 -0.038 0.000 1.032 593 I CA -0.193 60.972 61.300 -0.225 0.000 1.073 593 I CB 1.512 39.114 38.000 -0.663 0.000 1.251 593 I HN 0.620 nan 8.210 nan 0.000 0.426 594 N N 5.704 124.391 118.700 -0.022 0.000 2.477 594 N HA 0.344 5.083 4.740 -0.001 0.000 0.284 594 N C -0.380 175.171 175.510 0.068 0.000 1.182 594 N CA -0.499 52.566 53.050 0.024 0.000 0.949 594 N CB 1.032 39.523 38.487 0.007 0.000 1.204 594 N HN 0.620 nan 8.380 nan 0.000 0.526 595 N N -0.876 117.844 118.700 0.032 0.000 2.747 595 N HA -0.178 4.562 4.740 -0.001 0.000 0.249 595 N C -0.926 174.584 175.510 0.001 0.000 1.107 595 N CA 0.574 53.634 53.050 0.018 0.000 0.707 595 N CB -1.351 37.178 38.487 0.071 0.000 1.054 595 N HN 0.667 nan 8.380 nan 0.000 0.555 596 A N 0.434 123.247 122.820 -0.013 0.000 2.774 596 A HA 0.468 4.788 4.320 -0.001 0.000 0.326 596 A C 0.859 178.397 177.584 -0.076 0.000 1.478 596 A CA -0.055 51.853 52.037 -0.215 0.000 1.099 596 A CB -0.052 18.828 19.000 -0.202 0.000 1.148 596 A HN 0.279 nan 8.150 nan 0.000 0.519 597 T N 0.347 114.813 114.554 -0.146 0.000 2.897 597 T HA 0.618 4.967 4.350 -0.001 0.000 0.294 597 T C 0.314 175.091 174.700 0.129 0.000 1.004 597 T CA 0.143 62.285 62.100 0.069 0.000 1.106 597 T CB 1.097 69.986 68.868 0.036 0.000 0.949 597 T HN 0.826 nan 8.240 nan 0.000 0.520 598 T N -0.741 114.030 114.554 0.361 0.000 2.901 598 T HA 0.805 5.154 4.350 -0.001 0.000 0.293 598 T C 0.040 174.808 174.700 0.114 0.000 1.084 598 T CA -0.830 61.368 62.100 0.164 0.000 1.008 598 T CB 1.452 70.456 68.868 0.225 0.000 1.170 598 T HN 1.040 nan 8.240 nan 0.000 0.509 599 A N 1.313 124.163 122.820 0.050 0.000 2.239 599 A HA 0.688 5.008 4.320 -0.001 0.000 0.303 599 A C 0.096 177.692 177.584 0.020 0.000 1.114 599 A CA -0.899 51.157 52.037 0.031 0.000 0.871 599 A CB 0.080 19.092 19.000 0.019 0.000 1.201 599 A HN 0.826 nan 8.150 nan 0.000 0.506 600 L N 0.889 122.117 121.223 0.009 0.000 2.462 600 L HA 0.364 4.704 4.340 -0.001 0.000 0.272 600 L C 1.446 178.326 176.870 0.018 0.000 1.166 600 L CA 2.311 57.154 54.840 0.004 0.000 0.880 600 L CB -0.253 41.806 42.059 0.001 0.000 1.142 600 L HN 1.427 nan 8.230 nan 0.000 0.473 601 G N 3.518 112.335 108.800 0.028 0.000 2.157 601 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.248 601 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.248 601 G C 0.327 175.261 174.900 0.055 0.000 0.979 601 G CA 0.379 45.504 45.100 0.041 0.000 0.650 601 G HN 0.607 nan 8.290 nan 0.000 0.529 602 Q N 0.337 120.171 119.800 0.058 0.000 2.293 602 Q HA 0.587 4.927 4.340 -0.001 0.000 0.261 602 Q C -0.554 175.481 176.000 0.058 0.000 0.960 602 Q CA -0.791 55.039 55.803 0.045 0.000 0.882 602 Q CB 0.680 29.424 28.738 0.009 0.000 1.275 602 Q HN 0.340 nan 8.270 nan 0.000 0.445 603 N N 1.529 120.240 118.700 0.017 0.000 2.469 603 N HA 0.484 5.224 4.740 -0.001 0.000 0.286 603 N C -1.404 173.865 175.510 -0.402 0.000 1.275 603 N CA -0.445 52.493 53.050 -0.186 0.000 0.790 603 N CB 2.137 40.593 38.487 -0.052 0.000 1.446 603 N HN 0.282 nan 8.380 nan 0.000 0.501 604 V N 1.542 120.869 119.914 -0.977 0.000 2.547 604 V HA 0.596 4.715 4.120 -0.001 0.000 0.299 604 V C -0.841 174.946 176.094 -0.512 0.000 1.040 604 V CA -0.338 61.557 62.300 -0.674 0.000 0.913 604 V CB 0.732 31.855 31.823 -1.166 0.000 0.992 604 V HN 0.475 nan 8.190 nan 0.000 0.449 605 F N 3.426 123.258 119.950 -0.197 0.000 2.675 605 F HA 0.782 5.308 4.527 -0.001 0.000 0.324 605 F C -0.507 175.213 175.800 -0.132 0.000 1.106 605 F CA -0.993 56.889 58.000 -0.196 0.000 0.970 605 F CB 1.854 40.716 39.000 -0.230 0.000 1.385 605 F HN 0.327 nan 8.300 nan 0.000 0.489 606 L N 0.699 121.880 121.223 -0.071 0.000 2.386 606 L HA 0.844 5.183 4.340 -0.001 0.000 0.271 606 L C -0.634 176.080 176.870 -0.261 0.000 0.993 606 L CA 0.133 54.766 54.840 -0.346 0.000 0.819 606 L CB 1.941 43.635 42.059 -0.609 0.000 1.294 606 L HN 0.659 nan 8.230 nan 0.000 0.414 607 T N 2.366 116.792 114.554 -0.213 0.000 2.841 607 T HA 0.953 5.303 4.350 -0.001 0.000 0.296 607 T C -0.669 173.839 174.700 -0.320 0.000 1.166 607 T CA 0.015 62.005 62.100 -0.184 0.000 1.007 607 T CB 1.561 70.418 68.868 -0.018 0.000 1.253 607 T HN 1.122 nan 8.240 nan 0.000 0.511 608 G N 0.541 108.947 108.800 -0.656 0.000 2.561 608 G HA2 0.283 4.243 3.960 -0.001 0.000 0.310 608 G HA3 0.283 4.243 3.960 -0.001 0.000 0.310 608 G C -0.337 173.728 174.900 -1.393 0.000 1.292 608 G CA -0.093 44.294 45.100 -1.189 0.000 0.811 608 G HN 0.908 nan 8.290 nan 0.000 0.482 609 N N -1.445 116.662 118.700 -0.987 0.000 2.362 609 N HA 0.239 4.978 4.740 -0.001 0.000 0.204 609 N C 0.363 175.751 175.510 -0.202 0.000 1.166 609 N CA 0.096 52.822 53.050 -0.540 0.000 0.831 609 N CB 0.413 38.907 38.487 0.012 0.000 1.008 609 N HN 0.532 nan 8.380 nan 0.000 0.472 610 V N -3.270 116.526 119.914 -0.196 0.000 3.001 610 V HA 0.412 4.531 4.120 -0.001 0.000 0.314 610 V C 1.327 177.370 176.094 -0.084 0.000 1.099 610 V CA -0.733 61.519 62.300 -0.081 0.000 0.989 610 V CB 1.372 33.171 31.823 -0.039 0.000 1.040 610 V HN 0.154 nan 8.190 nan 0.000 0.434 611 S N 0.517 116.199 115.700 -0.030 0.000 2.400 611 S HA -0.214 4.256 4.470 -0.001 0.000 0.232 611 S C 1.335 175.923 174.600 -0.021 0.000 1.025 611 S CA 1.729 59.919 58.200 -0.016 0.000 0.993 611 S CB -0.614 62.599 63.200 0.021 0.000 0.808 611 S HN 0.899 nan 8.310 nan 0.000 0.478 612 E N 1.328 121.515 120.200 -0.021 0.000 2.265 612 E HA 0.104 4.454 4.350 -0.001 0.000 0.196 612 E C 1.453 178.029 176.600 -0.039 0.000 0.996 612 E CA 0.711 57.103 56.400 -0.013 0.000 0.832 612 E CB -0.323 29.370 29.700 -0.011 0.000 0.756 612 E HN 0.569 nan 8.360 nan 0.000 0.491 613 L N -1.373 119.790 121.223 -0.101 0.000 2.728 613 L HA 0.319 4.658 4.340 -0.001 0.000 0.238 613 L C 0.950 177.731 176.870 -0.148 0.000 1.143 613 L CA 0.187 54.931 54.840 -0.160 0.000 0.937 613 L CB 0.415 42.315 42.059 -0.265 0.000 1.225 613 L HN 0.292 nan 8.230 nan 0.000 0.507 614 G N 0.275 109.018 108.800 -0.096 0.000 2.141 614 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.231 614 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.231 614 G C 0.316 175.184 174.900 -0.053 0.000 0.984 614 G CA 0.061 45.126 45.100 -0.059 0.000 0.660 614 G HN 0.538 nan 8.290 nan 0.000 0.525 615 N N -1.431 117.198 118.700 -0.117 0.000 2.699 615 N HA -0.242 4.497 4.740 -0.001 0.000 0.256 615 N C 0.933 176.494 175.510 0.085 0.000 0.993 615 N CA 1.406 54.399 53.050 -0.094 0.000 0.759 615 N CB -1.183 37.313 38.487 0.015 0.000 0.906 615 N HN 1.031 nan 8.380 nan 0.000 0.541 616 W N -3.205 118.151 121.300 0.093 0.000 2.869 616 W HA -0.258 4.402 4.660 -0.001 0.000 0.285 616 W C 0.266 176.897 176.519 0.187 0.000 1.098 616 W CA 0.143 57.587 57.345 0.165 0.000 0.571 616 W CB -1.105 28.428 29.460 0.122 0.000 2.131 616 W HN 0.319 nan 8.180 nan 0.000 1.367 617 D N 0.034 120.594 120.400 0.267 0.000 2.359 617 D HA 0.200 4.839 4.640 -0.001 0.000 0.230 617 D C -1.120 175.225 176.300 0.075 0.000 1.118 617 D CA -2.000 52.102 54.000 0.169 0.000 0.844 617 D CB 1.418 42.270 40.800 0.088 0.000 1.059 617 D HN -0.204 nan 8.370 nan 0.000 0.493 618 P HA -0.100 nan 4.420 nan 0.000 0.217 618 P C 0.801 177.974 177.300 -0.213 0.000 1.148 618 P CA 0.790 63.794 63.100 -0.161 0.000 0.828 618 P CB 0.387 31.975 31.700 -0.187 0.000 0.783 619 N N -1.043 117.582 118.700 -0.125 0.000 2.457 619 N HA -0.028 4.712 4.740 -0.001 0.000 0.180 619 N C 0.560 176.008 175.510 -0.103 0.000 1.050 619 N CA 0.803 53.773 53.050 -0.133 0.000 0.906 619 N CB -0.625 37.814 38.487 -0.081 0.000 0.968 619 N HN 0.226 nan 8.380 nan 0.000 0.445 620 N N -0.165 118.493 118.700 -0.070 0.000 2.273 620 N HA 0.238 4.977 4.740 -0.001 0.000 0.231 620 N C -0.374 175.109 175.510 -0.045 0.000 1.134 620 N CA -0.217 52.806 53.050 -0.045 0.000 0.856 620 N CB 0.831 39.304 38.487 -0.023 0.000 1.068 620 N HN 0.078 nan 8.380 nan 0.000 0.510 621 A N 0.572 123.347 122.820 -0.076 0.000 2.366 621 A HA 0.311 4.631 4.320 -0.001 0.000 0.249 621 A C 0.038 177.655 177.584 0.054 0.000 1.084 621 A CA -0.131 51.878 52.037 -0.047 0.000 0.794 621 A CB 0.272 19.213 19.000 -0.099 0.000 1.034 621 A HN 0.117 nan 8.150 nan 0.000 0.491 622 I N 1.457 122.032 120.570 0.009 0.000 2.371 622 I HA 0.586 4.755 4.170 -0.001 0.000 0.290 622 I C 0.952 176.956 176.117 -0.188 0.000 1.028 622 I CA 1.073 62.359 61.300 -0.025 0.000 1.345 622 I CB -0.338 37.638 38.000 -0.039 0.000 1.407 622 I HN 1.026 nan 8.210 nan 0.000 0.501 623 G N 8.418 117.011 108.800 -0.345 0.000 2.302 623 G HA2 0.083 4.043 3.960 -0.001 0.000 0.264 623 G HA3 0.083 4.043 3.960 -0.001 0.000 0.264 623 G C -3.140 171.406 174.900 -0.590 0.000 1.335 623 G CA -0.829 43.727 45.100 -0.908 0.000 0.982 623 G HN 0.415 nan 8.290 nan 0.000 0.473 624 P HA 0.311 nan 4.420 nan 0.000 0.268 624 P C 0.337 177.128 177.300 -0.848 0.000 1.205 624 P CA 0.130 62.536 63.100 -1.158 0.000 0.771 624 P CB 0.431 31.756 31.700 -0.625 0.000 0.858 625 M N 1.929 121.097 119.600 -0.720 0.000 2.113 625 M HA 0.128 4.607 4.480 -0.001 0.000 0.288 625 M C 0.262 176.625 176.300 0.105 0.000 1.225 625 M CA 0.399 55.450 55.300 -0.415 0.000 1.148 625 M CB -0.044 32.510 32.600 -0.077 0.000 1.388 625 M HN 0.276 nan 8.290 nan 0.000 0.469 626 Y N 0.970 121.307 120.300 0.061 0.000 2.403 626 Y HA 0.284 4.834 4.550 -0.001 0.000 0.323 626 Y C 0.546 176.321 175.900 -0.207 0.000 1.226 626 Y CA -1.461 56.533 58.100 -0.177 0.000 1.235 626 Y CB 0.631 38.747 38.460 -0.573 0.000 1.248 626 Y HN 0.690 nan 8.280 nan 0.000 0.489 627 N N -1.297 117.397 118.700 -0.011 0.000 2.330 627 N HA 0.086 4.826 4.740 -0.001 0.000 0.249 627 N C -0.482 175.023 175.510 -0.008 0.000 1.413 627 N CA -0.102 52.892 53.050 -0.092 0.000 0.817 627 N CB -0.155 37.863 38.487 -0.781 0.000 1.362 627 N HN 0.648 nan 8.380 nan 0.000 0.499 628 Q N -0.691 119.154 119.800 0.075 0.000 2.534 628 Q HA 0.366 4.706 4.340 -0.001 0.000 0.252 628 Q C 1.019 177.007 176.000 -0.020 0.000 0.850 628 Q CA 0.346 56.150 55.803 0.002 0.000 0.974 628 Q CB 1.083 29.796 28.738 -0.041 0.000 1.205 628 Q HN 0.106 nan 8.270 nan 0.000 0.593 629 V N -0.302 119.591 119.914 -0.034 0.000 2.502 629 V HA -0.042 4.077 4.120 -0.001 0.000 0.234 629 V C 1.916 177.679 176.094 -0.551 0.000 1.072 629 V CA 0.837 62.983 62.300 -0.258 0.000 1.094 629 V CB -0.066 31.585 31.823 -0.287 0.000 0.761 629 V HN 0.062 nan 8.190 nan 0.000 0.489 630 V N -1.280 118.124 119.914 -0.850 0.000 2.453 630 V HA -0.069 4.050 4.120 -0.001 0.000 0.247 630 V C 0.587 176.010 176.094 -1.119 0.000 1.048 630 V CA 1.476 63.048 62.300 -1.214 0.000 1.049 630 V CB -0.582 30.267 31.823 -1.623 0.000 0.672 630 V HN 0.504 nan 8.190 nan 0.000 0.457 631 Y N -1.670 118.299 120.300 -0.551 0.000 2.581 631 Y HA 0.682 5.231 4.550 -0.001 0.000 0.345 631 Y C -0.304 175.571 175.900 -0.040 0.000 1.036 631 Y CA -1.263 56.712 58.100 -0.209 0.000 1.042 631 Y CB 1.671 40.064 38.460 -0.111 0.000 1.289 631 Y HN -0.050 nan 8.280 nan 0.000 0.471 632 Q N 0.496 120.373 119.800 0.128 0.000 2.345 632 Q HA 0.318 4.658 4.340 -0.001 0.000 0.268 632 Q C -1.422 174.585 176.000 0.011 0.000 1.054 632 Q CA -1.026 54.811 55.803 0.055 0.000 0.835 632 Q CB 1.584 30.337 28.738 0.024 0.000 1.339 632 Q HN 0.574 nan 8.270 nan 0.000 0.447 633 Y N 4.084 124.272 120.300 -0.187 0.000 2.904 633 Y HA 0.006 4.556 4.550 -0.001 0.000 0.336 633 Y C -1.172 174.676 175.900 -0.085 0.000 1.263 633 Y CA -0.738 57.208 58.100 -0.256 0.000 1.547 633 Y CB 0.685 38.944 38.460 -0.335 0.000 1.272 633 Y HN 0.573 nan 8.280 nan 0.000 0.596 634 P HA 0.034 nan 4.420 nan 0.000 0.258 634 P C -0.697 176.489 177.300 -0.190 0.000 1.403 634 P CA 0.213 62.796 63.100 -0.861 0.000 0.826 634 P CB -0.110 31.130 31.700 -0.767 0.000 1.414 635 T N 0.596 115.088 114.554 -0.104 0.000 2.795 635 T HA 0.349 4.698 4.350 -0.001 0.000 0.282 635 T C -0.711 174.048 174.700 0.098 0.000 0.980 635 T CA -0.027 62.112 62.100 0.065 0.000 1.012 635 T CB 0.799 69.699 68.868 0.054 0.000 0.936 635 T HN 0.024 nan 8.240 nan 0.000 0.457 636 W N 2.804 124.151 121.300 0.077 0.000 2.719 636 W HA 0.661 5.321 4.660 -0.001 0.000 0.352 636 W C -0.732 175.912 176.519 0.209 0.000 1.085 636 W CA -0.833 56.606 57.345 0.156 0.000 1.187 636 W CB 1.008 30.508 29.460 0.066 0.000 1.417 636 W HN 0.707 nan 8.180 nan 0.000 0.557 637 Y N -0.628 119.885 120.300 0.355 0.000 2.638 637 Y HA 0.784 5.333 4.550 -0.001 0.000 0.335 637 Y C -1.994 174.191 175.900 0.475 0.000 1.155 637 Y CA -2.790 55.489 58.100 0.298 0.000 1.046 637 Y CB 1.494 40.084 38.460 0.216 0.000 1.303 637 Y HN 0.544 nan 8.280 nan 0.000 0.460 638 Y N 0.493 120.963 120.300 0.283 0.000 2.521 638 Y HA 0.327 4.876 4.550 -0.001 0.000 0.326 638 Y C -1.774 174.321 175.900 0.325 0.000 1.176 638 Y CA -1.088 57.105 58.100 0.154 0.000 1.079 638 Y CB 1.766 40.225 38.460 -0.002 0.000 1.341 638 Y HN 0.778 nan 8.280 nan 0.000 0.456 639 D N 4.312 124.754 120.400 0.069 0.000 2.317 639 D HA 0.439 5.078 4.640 -0.001 0.000 0.234 639 D C -0.972 175.395 176.300 0.111 0.000 1.112 639 D CA 0.106 54.215 54.000 0.181 0.000 0.840 639 D CB 1.947 42.881 40.800 0.223 0.000 1.078 639 D HN 0.171 nan 8.370 nan 0.000 0.486 640 V N 1.470 121.527 119.914 0.239 0.000 2.555 640 V HA 0.279 4.399 4.120 -0.001 0.000 0.302 640 V C 0.398 176.553 176.094 0.100 0.000 1.038 640 V CA -0.844 61.557 62.300 0.167 0.000 0.887 640 V CB 2.048 33.994 31.823 0.206 0.000 0.991 640 V HN 0.474 nan 8.190 nan 0.000 0.434 641 S N 3.802 119.477 115.700 -0.042 0.000 2.523 641 S HA 0.646 5.116 4.470 -0.001 0.000 0.275 641 S C -0.456 174.154 174.600 0.016 0.000 1.281 641 S CA -0.372 57.804 58.200 -0.039 0.000 1.050 641 S CB 0.604 63.716 63.200 -0.148 0.000 0.937 641 S HN 1.014 nan 8.310 nan 0.000 0.492 642 V N 2.592 122.539 119.914 0.054 0.000 3.130 642 V HA 0.798 4.918 4.120 -0.001 0.000 0.310 642 V C -2.856 173.266 176.094 0.046 0.000 1.158 642 V CA -2.766 59.572 62.300 0.064 0.000 1.029 642 V CB 1.649 33.556 31.823 0.139 0.000 1.057 642 V HN 0.698 nan 8.190 nan 0.000 0.436 643 P HA 0.299 nan 4.420 nan 0.000 0.271 643 P C -0.262 177.057 177.300 0.031 0.000 1.216 643 P CA 0.410 63.525 63.100 0.025 0.000 0.771 643 P CB 1.010 32.723 31.700 0.021 0.000 0.864 644 A N 2.695 125.527 122.820 0.020 0.000 2.371 644 A HA 0.525 4.845 4.320 -0.001 0.000 0.257 644 A C 1.291 178.878 177.584 0.005 0.000 1.089 644 A CA 0.242 52.289 52.037 0.017 0.000 0.794 644 A CB -0.892 18.115 19.000 0.012 0.000 1.029 644 A HN 0.830 nan 8.150 nan 0.000 0.488 645 G N 0.779 109.575 108.800 -0.007 0.000 2.246 645 G HA2 -0.109 3.850 3.960 -0.001 0.000 0.273 645 G HA3 -0.109 3.850 3.960 -0.001 0.000 0.273 645 G C -0.105 174.781 174.900 -0.023 0.000 1.055 645 G CA 0.757 45.844 45.100 -0.021 0.000 0.851 645 G HN 1.704 nan 8.290 nan 0.000 0.500 646 Q N -1.850 117.934 119.800 -0.027 0.000 2.534 646 Q HA 0.698 5.038 4.340 -0.001 0.000 0.290 646 Q C -0.829 175.160 176.000 -0.019 0.000 0.991 646 Q CA -0.930 54.864 55.803 -0.015 0.000 0.783 646 Q CB 0.841 29.585 28.738 0.010 0.000 1.470 646 Q HN 0.114 nan 8.270 nan 0.000 0.406 647 T N 2.432 116.989 114.554 0.005 0.000 2.743 647 T HA 0.508 4.858 4.350 -0.001 0.000 0.293 647 T C 0.131 174.892 174.700 0.102 0.000 0.945 647 T CA -0.504 61.616 62.100 0.033 0.000 1.030 647 T CB -0.159 68.731 68.868 0.037 0.000 0.912 647 T HN 0.468 nan 8.240 nan 0.000 0.483 648 I N 0.296 120.974 120.570 0.180 0.000 2.525 648 I HA 0.677 4.847 4.170 -0.001 0.000 0.301 648 I C -0.111 176.207 176.117 0.335 0.000 0.992 648 I CA -1.025 60.404 61.300 0.216 0.000 1.162 648 I CB 1.555 39.674 38.000 0.199 0.000 1.332 648 I HN 0.406 nan 8.210 nan 0.000 0.458 649 E N 4.333 124.700 120.200 0.279 0.000 2.222 649 E HA 0.688 5.038 4.350 -0.001 0.000 0.272 649 E C -1.309 175.483 176.600 0.321 0.000 0.982 649 E CA -0.571 56.027 56.400 0.331 0.000 0.842 649 E CB 2.120 32.057 29.700 0.395 0.000 1.144 649 E HN 0.610 nan 8.360 nan 0.000 0.397 650 F N -1.173 118.888 119.950 0.187 0.000 2.741 650 F HA 0.642 5.168 4.527 -0.001 0.000 0.311 650 F C -1.413 174.540 175.800 0.254 0.000 1.149 650 F CA -1.123 56.890 58.000 0.020 0.000 0.930 650 F CB 1.420 40.334 39.000 -0.143 0.000 1.312 650 F HN 0.165 nan 8.300 nan 0.000 0.450 651 K N 0.910 121.516 120.400 0.344 0.000 2.536 651 K HA 0.641 4.960 4.320 -0.001 0.000 0.269 651 K C -1.955 174.758 176.600 0.190 0.000 0.965 651 K CA -0.753 55.723 56.287 0.314 0.000 0.860 651 K CB 2.767 35.595 32.500 0.547 0.000 1.423 651 K HN 0.593 nan 8.250 nan 0.000 0.438 652 F N 1.593 121.678 119.950 0.226 0.000 2.457 652 F HA 0.649 5.176 4.527 -0.001 0.000 0.330 652 F C -0.068 175.841 175.800 0.181 0.000 1.069 652 F CA -0.819 57.299 58.000 0.197 0.000 1.009 652 F CB 1.137 40.289 39.000 0.253 0.000 1.276 652 F HN 0.273 nan 8.300 nan 0.000 0.492 653 L N -1.072 120.382 121.223 0.385 0.000 2.653 653 L HA 0.624 4.964 4.340 -0.001 0.000 0.257 653 L C -1.744 175.226 176.870 0.167 0.000 0.969 653 L CA -1.233 53.722 54.840 0.192 0.000 0.869 653 L CB 2.061 43.859 42.059 -0.435 0.000 1.439 653 L HN 0.425 nan 8.230 nan 0.000 0.414 654 K N 1.174 121.620 120.400 0.076 0.000 2.156 654 K HA 0.700 5.019 4.320 -0.001 0.000 0.254 654 K C -1.161 175.401 176.600 -0.063 0.000 0.950 654 K CA -0.874 55.375 56.287 -0.063 0.000 0.849 654 K CB 2.267 34.651 32.500 -0.193 0.000 1.100 654 K HN 0.547 nan 8.250 nan 0.000 0.434 655 K N 1.903 122.289 120.400 -0.023 0.000 2.535 655 K HA 0.134 4.453 4.320 -0.001 0.000 0.250 655 K C -1.775 174.814 176.600 -0.018 0.000 0.948 655 K CA -0.527 55.694 56.287 -0.110 0.000 0.796 655 K CB 1.845 34.113 32.500 -0.386 0.000 1.216 655 K HN 0.547 nan 8.250 nan 0.000 0.432 656 Q N 3.389 123.167 119.800 -0.036 0.000 2.303 656 Q HA 0.395 4.735 4.340 -0.001 0.000 0.267 656 Q C 0.175 176.160 176.000 -0.024 0.000 1.011 656 Q CA 0.151 55.950 55.803 -0.006 0.000 0.740 656 Q CB 1.504 30.242 28.738 -0.000 0.000 1.250 656 Q HN 0.880 nan 8.270 nan 0.000 0.458 657 G N 2.486 111.274 108.800 -0.021 0.000 2.591 657 G HA2 -0.385 3.575 3.960 -0.001 0.000 0.298 657 G HA3 -0.385 3.575 3.960 -0.001 0.000 0.298 657 G C 0.550 175.417 174.900 -0.055 0.000 1.195 657 G CA 0.486 45.569 45.100 -0.028 0.000 0.989 657 G HN 0.679 nan 8.290 nan 0.000 0.551 658 S N 0.433 116.107 115.700 -0.042 0.000 2.527 658 S HA 0.239 4.709 4.470 -0.001 0.000 0.222 658 S C 1.006 175.575 174.600 -0.052 0.000 0.985 658 S CA 1.354 59.524 58.200 -0.050 0.000 0.921 658 S CB 0.205 63.388 63.200 -0.029 0.000 0.772 658 S HN 0.860 nan 8.310 nan 0.000 0.529 659 T N 2.981 117.509 114.554 -0.043 0.000 2.729 659 T HA 0.378 4.727 4.350 -0.001 0.000 0.296 659 T C -0.234 174.430 174.700 -0.059 0.000 0.928 659 T CA -0.196 61.887 62.100 -0.029 0.000 1.045 659 T CB 1.200 70.064 68.868 -0.007 0.000 0.902 659 T HN -0.088 nan 8.240 nan 0.000 0.500 660 V N 4.736 124.616 119.914 -0.057 0.000 2.370 660 V HA 0.310 4.429 4.120 -0.001 0.000 0.279 660 V C 0.504 176.577 176.094 -0.035 0.000 1.029 660 V CA -0.546 61.672 62.300 -0.137 0.000 0.870 660 V CB 1.414 33.119 31.823 -0.196 0.000 0.984 660 V HN 0.932 nan 8.190 nan 0.000 0.451 661 T N 5.203 119.748 114.554 -0.014 0.000 2.756 661 T HA 0.373 4.723 4.350 -0.001 0.000 0.290 661 T C -0.574 174.269 174.700 0.238 0.000 0.985 661 T CA -0.205 61.987 62.100 0.154 0.000 0.955 661 T CB 0.323 69.279 68.868 0.146 0.000 0.930 661 T HN 0.553 nan 8.240 nan 0.000 0.451 662 W N 2.748 124.154 121.300 0.176 0.000 2.381 662 W HA 0.378 5.038 4.660 -0.001 0.000 0.329 662 W C 0.810 177.379 176.519 0.083 0.000 1.157 662 W CA -1.152 56.280 57.345 0.144 0.000 1.240 662 W CB 0.530 30.017 29.460 0.046 0.000 1.199 662 W HN 0.639 nan 8.180 nan 0.000 0.579 663 E N 1.519 121.764 120.200 0.074 0.000 2.383 663 E HA 0.490 4.839 4.350 -0.001 0.000 0.264 663 E C 0.673 177.178 176.600 -0.157 0.000 1.050 663 E CA -0.531 55.575 56.400 -0.489 0.000 0.896 663 E CB 0.833 29.792 29.700 -1.234 0.000 0.982 663 E HN 0.484 nan 8.360 nan 0.000 0.424 664 G N 1.174 109.876 108.800 -0.164 0.000 2.508 664 G HA2 0.507 4.466 3.960 -0.001 0.000 0.278 664 G HA3 0.507 4.466 3.960 -0.001 0.000 0.278 664 G C 0.509 175.335 174.900 -0.124 0.000 1.389 664 G CA -0.260 44.782 45.100 -0.097 0.000 1.050 664 G HN 0.997 nan 8.290 nan 0.000 0.522 665 G N -1.813 106.929 108.800 -0.098 0.000 2.681 665 G HA2 0.387 4.346 3.960 -0.001 0.000 0.220 665 G HA3 0.387 4.346 3.960 -0.001 0.000 0.220 665 G C 0.241 175.081 174.900 -0.100 0.000 1.353 665 G CA 0.145 45.190 45.100 -0.091 0.000 0.872 665 G HN 1.976 nan 8.290 nan 0.000 0.557 666 A N -0.327 122.441 122.820 -0.087 0.000 2.252 666 A HA 0.719 5.039 4.320 -0.001 0.000 0.305 666 A C 0.596 178.127 177.584 -0.088 0.000 1.097 666 A CA -0.044 51.939 52.037 -0.089 0.000 0.849 666 A CB 0.364 19.325 19.000 -0.065 0.000 1.142 666 A HN 0.990 nan 8.150 nan 0.000 0.499 667 N N 0.631 119.281 118.700 -0.083 0.000 2.479 667 N HA 0.183 4.922 4.740 -0.001 0.000 0.257 667 N C -0.084 175.369 175.510 -0.095 0.000 1.232 667 N CA 0.283 53.306 53.050 -0.045 0.000 0.920 667 N CB 0.326 38.838 38.487 0.042 0.000 1.105 667 N HN 0.533 nan 8.380 nan 0.000 0.444 668 R N -0.033 120.313 120.500 -0.257 0.000 2.500 668 R HA 0.429 4.769 4.340 -0.001 0.000 0.275 668 R C 0.170 176.255 176.300 -0.358 0.000 1.051 668 R CA -0.447 55.379 56.100 -0.456 0.000 1.088 668 R CB 0.665 30.384 30.300 -0.967 0.000 1.063 668 R HN 0.625 nan 8.270 nan 0.000 0.511 669 T N -1.256 113.273 114.554 -0.042 0.000 2.916 669 T HA 0.696 5.046 4.350 -0.001 0.000 0.292 669 T C -0.908 174.099 174.700 0.512 0.000 1.055 669 T CA -0.780 61.455 62.100 0.225 0.000 1.009 669 T CB 1.549 70.511 68.868 0.156 0.000 1.118 669 T HN 0.472 nan 8.240 nan 0.000 0.497 670 F N 0.476 120.643 119.950 0.361 0.000 2.639 670 F HA 0.497 5.024 4.527 -0.001 0.000 0.320 670 F C -1.153 174.754 175.800 0.178 0.000 1.128 670 F CA -0.534 57.642 58.000 0.293 0.000 1.037 670 F CB 1.815 41.052 39.000 0.395 0.000 1.288 670 F HN 0.735 nan 8.300 nan 0.000 0.463 671 T N 4.290 118.382 114.554 -0.770 0.000 2.738 671 T HA 0.390 4.740 4.350 -0.001 0.000 0.298 671 T C 0.100 174.304 174.700 -0.826 0.000 0.962 671 T CA -0.275 61.495 62.100 -0.550 0.000 0.972 671 T CB 0.411 69.086 68.868 -0.323 0.000 0.928 671 T HN 0.722 nan 8.240 nan 0.000 0.474 672 T N 3.256 117.571 114.554 -0.398 0.000 2.898 672 T HA 0.345 4.695 4.350 -0.001 0.000 0.301 672 T C -2.205 172.425 174.700 -0.116 0.000 1.049 672 T CA -1.618 60.377 62.100 -0.174 0.000 1.095 672 T CB 0.330 69.220 68.868 0.036 0.000 0.976 672 T HN 0.252 nan 8.240 nan 0.000 0.539 673 P HA 0.125 nan 4.420 nan 0.000 0.271 673 P C 0.590 177.896 177.300 0.010 0.000 1.233 673 P CA -0.314 62.788 63.100 0.004 0.000 0.789 673 P CB 0.449 32.180 31.700 0.051 0.000 0.951 674 T N -0.754 113.805 114.554 0.008 0.000 2.985 674 T HA 0.035 4.384 4.350 -0.001 0.000 0.266 674 T C 0.918 175.630 174.700 0.021 0.000 1.076 674 T CA 1.229 63.335 62.100 0.010 0.000 1.135 674 T CB -0.182 68.689 68.868 0.005 0.000 0.890 674 T HN 0.755 nan 8.240 nan 0.000 0.480 675 S N -1.574 114.146 115.700 0.034 0.000 2.636 675 S HA 0.638 5.107 4.470 -0.001 0.000 0.268 675 S C 0.049 174.689 174.600 0.067 0.000 1.159 675 S CA -0.423 57.804 58.200 0.046 0.000 0.815 675 S CB 1.311 64.533 63.200 0.037 0.000 1.130 675 S HN 0.732 nan 8.310 nan 0.000 0.471 676 G N 0.571 109.425 108.800 0.090 0.000 2.698 676 G HA2 0.201 4.161 3.960 -0.001 0.000 0.233 676 G HA3 0.201 4.161 3.960 -0.001 0.000 0.233 676 G C -0.038 174.935 174.900 0.122 0.000 1.352 676 G CA 0.352 45.515 45.100 0.106 0.000 0.879 676 G HN 2.196 nan 8.290 nan 0.000 0.567 677 T N -2.489 112.137 114.554 0.120 0.000 2.841 677 T HA 1.027 5.376 4.350 -0.001 0.000 0.276 677 T C 0.109 174.874 174.700 0.109 0.000 1.003 677 T CA 0.448 62.626 62.100 0.129 0.000 0.995 677 T CB 1.899 70.854 68.868 0.144 0.000 1.260 677 T HN 2.606 nan 8.240 nan 0.000 0.581 678 A N 0.114 122.991 122.820 0.094 0.000 2.594 678 A HA 0.713 5.033 4.320 -0.001 0.000 0.295 678 A C -0.490 177.073 177.584 -0.035 0.000 1.071 678 A CA -0.874 51.210 52.037 0.079 0.000 0.685 678 A CB 1.434 20.556 19.000 0.205 0.000 1.285 678 A HN 0.863 nan 8.150 nan 0.000 0.405 679 T N 0.813 115.326 114.554 -0.069 0.000 2.855 679 T HA 0.593 4.942 4.350 -0.001 0.000 0.281 679 T C -0.816 173.697 174.700 -0.312 0.000 1.007 679 T CA -0.376 61.633 62.100 -0.152 0.000 1.009 679 T CB 1.500 70.351 68.868 -0.027 0.000 0.983 679 T HN 0.619 nan 8.240 nan 0.000 0.455 680 V N 4.118 123.759 119.914 -0.455 0.000 2.378 680 V HA 0.472 4.591 4.120 -0.001 0.000 0.288 680 V C -0.276 175.729 176.094 -0.148 0.000 1.016 680 V CA -0.870 61.150 62.300 -0.466 0.000 0.840 680 V CB 1.472 32.773 31.823 -0.869 0.000 0.994 680 V HN 0.757 nan 8.190 nan 0.000 0.431 681 N N 4.467 123.132 118.700 -0.059 0.000 2.443 681 N HA 0.629 5.368 4.740 -0.001 0.000 0.269 681 N C -0.831 174.692 175.510 0.020 0.000 0.985 681 N CA -0.102 52.933 53.050 -0.025 0.000 0.921 681 N CB 2.080 40.549 38.487 -0.031 0.000 1.195 681 N HN 0.541 nan 8.380 nan 0.000 0.492 682 V N 0.989 120.917 119.914 0.025 0.000 3.158 682 V HA 0.731 4.850 4.120 -0.001 0.000 0.311 682 V C -0.611 175.471 176.094 -0.019 0.000 1.181 682 V CA -1.033 61.291 62.300 0.040 0.000 1.054 682 V CB 2.245 34.152 31.823 0.141 0.000 1.085 682 V HN 0.504 nan 8.190 nan 0.000 0.446 683 N N 0.386 119.085 118.700 -0.001 0.000 2.238 683 N HA 0.235 4.975 4.740 -0.001 0.000 0.302 683 N C -1.125 174.407 175.510 0.036 0.000 1.072 683 N CA -0.301 52.764 53.050 0.025 0.000 0.792 683 N CB 2.476 40.989 38.487 0.042 0.000 1.425 683 N HN 1.054 nan 8.380 nan 0.000 0.478 684 W N 2.762 124.021 121.300 -0.067 0.000 2.520 684 W HA -0.031 4.628 4.660 -0.001 0.000 0.337 684 W C -0.525 176.000 176.519 0.010 0.000 1.406 684 W CA 0.405 57.728 57.345 -0.037 0.000 1.318 684 W CB 0.244 29.682 29.460 -0.036 0.000 1.338 684 W HN 0.411 nan 8.180 nan 0.000 0.570 685 Q N 7.952 127.412 119.800 -0.568 0.000 2.337 685 Q HA 0.152 4.492 4.340 -0.001 0.000 0.255 685 Q C -1.761 173.961 176.000 -0.462 0.000 0.997 685 Q CA -1.608 53.980 55.803 -0.359 0.000 0.925 685 Q CB 0.774 29.348 28.738 -0.273 0.000 1.212 685 Q HN 0.210 nan 8.270 nan 0.000 0.436 686 P HA 0.000 nan 4.420 nan 0.000 0.216 686 P CA 0.000 63.138 63.100 0.063 0.000 0.800 686 P CB 0.000 31.795 31.700 0.158 0.000 0.726