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 1v3m_1_B 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 LDYRFAQKAR 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 0.000 177.566 177.584 -0.030 0.000 1.274 1 A CA 0.000 52.019 52.037 -0.030 0.000 0.836 1 A CB 0.000 18.971 19.000 -0.048 0.000 0.831 2 P HA 0.222 nan 4.420 nan 0.000 0.276 2 P C 0.042 177.317 177.300 -0.041 0.000 1.244 2 P CA 0.226 63.309 63.100 -0.029 0.000 0.801 2 P CB 0.703 32.385 31.700 -0.029 0.000 1.006 3 D N 0.747 121.132 120.400 -0.026 0.000 2.172 3 D HA -0.193 4.455 4.640 0.014 0.000 0.196 3 D C 1.123 177.388 176.300 -0.058 0.000 0.999 3 D CA 2.332 56.321 54.000 -0.019 0.000 0.856 3 D CB -1.484 39.345 40.800 0.048 0.000 0.934 3 D HN 0.463 nan 8.370 nan 0.000 0.453 4 T N -2.862 111.649 114.554 -0.072 0.000 3.113 4 T HA 0.063 4.421 4.350 0.014 0.000 0.256 4 T C 1.088 175.711 174.700 -0.128 0.000 1.131 4 T CA 0.002 62.035 62.100 -0.112 0.000 1.074 4 T CB -0.192 68.617 68.868 -0.098 0.000 0.944 4 T HN 0.141 nan 8.240 nan 0.000 0.516 5 S N 0.545 116.177 115.700 -0.113 0.000 2.563 5 S HA 0.110 4.588 4.470 0.014 0.000 0.284 5 S C 1.461 175.962 174.600 -0.165 0.000 1.331 5 S CA -0.242 57.886 58.200 -0.120 0.000 1.047 5 S CB 1.005 64.145 63.200 -0.100 0.000 0.859 5 S HN 0.252 nan 8.310 nan 0.000 0.514 6 V N 4.423 124.240 119.914 -0.161 0.000 2.720 6 V HA -0.084 4.044 4.120 0.014 0.000 0.256 6 V C 2.107 178.058 176.094 -0.239 0.000 1.082 6 V CA 2.478 64.660 62.300 -0.198 0.000 1.101 6 V CB -0.738 30.999 31.823 -0.144 0.000 0.693 6 V HN 1.015 nan 8.190 nan 0.000 0.479 7 S N 0.061 115.643 115.700 -0.198 0.000 2.561 7 S HA 0.013 4.491 4.470 0.014 0.000 0.225 7 S C 1.040 175.552 174.600 -0.146 0.000 0.977 7 S CA 0.367 58.455 58.200 -0.187 0.000 0.926 7 S CB -0.670 62.445 63.200 -0.142 0.000 0.769 7 S HN 0.635 nan 8.310 nan 0.000 0.533 8 N N 2.305 120.910 118.700 -0.159 0.000 2.448 8 N HA 0.200 4.948 4.740 0.014 0.000 0.250 8 N C 0.331 175.772 175.510 -0.115 0.000 1.136 8 N CA -0.075 52.901 53.050 -0.123 0.000 0.953 8 N CB 0.473 38.879 38.487 -0.135 0.000 1.251 8 N HN 0.356 nan 8.380 nan 0.000 0.502 9 K N 1.878 122.279 120.400 0.001 0.000 2.400 9 K HA 0.020 4.348 4.320 0.014 0.000 0.194 9 K C 0.940 177.734 176.600 0.323 0.000 1.033 9 K CA 0.534 56.928 56.287 0.178 0.000 1.021 9 K CB 0.485 33.073 32.500 0.147 0.000 0.808 9 K HN 0.428 nan 8.250 nan 0.000 0.505 10 Q N 0.275 120.184 119.800 0.182 0.000 2.212 10 Q HA 0.079 4.427 4.340 0.014 0.000 0.199 10 Q C -0.117 176.022 176.000 0.232 0.000 0.950 10 Q CA 0.802 56.726 55.803 0.202 0.000 0.863 10 Q CB 0.412 29.211 28.738 0.103 0.000 0.944 10 Q HN 0.135 nan 8.270 nan 0.000 0.465 11 N N -0.811 117.970 118.700 0.135 0.000 2.249 11 N HA 0.247 4.995 4.740 0.014 0.000 0.296 11 N C -1.108 174.373 175.510 -0.048 0.000 1.051 11 N CA -0.338 52.718 53.050 0.010 0.000 0.815 11 N CB 1.292 39.779 38.487 -0.001 0.000 1.487 11 N HN -0.034 nan 8.380 nan 0.000 0.475 12 F N 0.281 119.833 119.950 -0.664 0.000 2.735 12 F HA 0.209 4.744 4.527 0.012 0.000 0.308 12 F C 1.746 177.269 175.800 -0.462 0.000 1.112 12 F CA -0.235 57.404 58.000 -0.602 0.000 1.235 12 F CB 0.246 38.699 39.000 -0.912 0.000 1.027 12 F HN 0.326 nan 8.300 nan 0.000 0.528 13 S N -0.679 114.883 115.700 -0.230 0.000 2.442 13 S HA -0.183 4.295 4.470 0.014 0.000 0.236 13 S C 2.154 176.549 174.600 -0.341 0.000 1.007 13 S CA 1.830 59.869 58.200 -0.269 0.000 0.965 13 S CB -0.599 62.437 63.200 -0.273 0.000 0.773 13 S HN 0.545 nan 8.310 nan 0.000 0.504 14 T N -0.514 113.841 114.554 -0.332 0.000 3.129 14 T HA 0.118 4.476 4.350 0.014 0.000 0.251 14 T C 0.092 174.650 174.700 -0.237 0.000 1.117 14 T CA -0.138 61.768 62.100 -0.323 0.000 1.034 14 T CB -0.076 68.619 68.868 -0.289 0.000 0.968 14 T HN 0.112 nan 8.240 nan 0.000 0.526 15 D N 0.842 121.117 120.400 -0.208 0.000 2.326 15 D HA 0.514 5.162 4.640 0.014 0.000 0.251 15 D C -0.847 175.407 176.300 -0.077 0.000 1.023 15 D CA -0.486 53.427 54.000 -0.145 0.000 0.966 15 D CB 2.514 43.223 40.800 -0.151 0.000 1.156 15 D HN 0.022 nan 8.370 nan 0.000 0.494 16 V N 2.017 121.913 119.914 -0.029 0.000 2.407 16 V HA 0.318 4.446 4.120 0.014 0.000 0.291 16 V C 0.265 176.425 176.094 0.110 0.000 1.018 16 V CA -0.680 61.630 62.300 0.016 0.000 0.842 16 V CB 1.385 33.200 31.823 -0.014 0.000 0.996 16 V HN 0.359 nan 8.190 nan 0.000 0.426 17 I N 4.601 125.280 120.570 0.182 0.000 2.472 17 I HA 0.324 4.502 4.170 0.014 0.000 0.290 17 I C -0.736 175.582 176.117 0.335 0.000 1.016 17 I CA -0.401 61.078 61.300 0.298 0.000 1.348 17 I CB 0.863 39.082 38.000 0.365 0.000 1.417 17 I HN 0.607 nan 8.210 nan 0.000 0.521 18 Y N 5.886 126.300 120.300 0.190 0.000 2.328 18 Y HA 0.258 4.813 4.550 0.008 0.000 0.333 18 Y C -0.108 175.880 175.900 0.147 0.000 0.958 18 Y CA -0.556 57.626 58.100 0.137 0.000 1.167 18 Y CB 1.045 39.540 38.460 0.058 0.000 1.151 18 Y HN 0.496 nan 8.280 nan 0.000 0.470 19 Q N 7.322 127.034 119.800 -0.147 0.000 2.322 19 Q HA 0.438 4.786 4.340 0.014 0.000 0.256 19 Q C -1.431 174.392 176.000 -0.295 0.000 0.960 19 Q CA -0.324 55.326 55.803 -0.255 0.000 0.934 19 Q CB 0.601 29.107 28.738 -0.387 0.000 1.200 19 Q HN 0.780 nan 8.270 nan 0.000 0.435 20 I N 3.808 124.192 120.570 -0.309 0.000 2.406 20 I HA 0.251 4.430 4.170 0.014 0.000 0.290 20 I C -0.764 175.164 176.117 -0.316 0.000 0.999 20 I CA -0.829 60.238 61.300 -0.389 0.000 1.124 20 I CB 1.185 38.922 38.000 -0.438 0.000 1.289 20 I HN 0.565 nan 8.210 nan 0.000 0.441 21 F N 4.953 124.551 119.950 -0.587 0.000 2.405 21 F HA 0.153 4.691 4.527 0.018 0.000 0.358 21 F C 1.735 177.331 175.800 -0.341 0.000 1.151 21 F CA 0.023 57.814 58.000 -0.349 0.000 1.161 21 F CB 0.802 39.696 39.000 -0.177 0.000 1.245 21 F HN 0.525 nan 8.300 nan 0.000 0.545 22 T N 1.384 115.746 114.554 -0.320 0.000 2.685 22 T HA -0.322 4.037 4.350 0.014 0.000 0.268 22 T C 1.681 176.330 174.700 -0.085 0.000 1.034 22 T CA 2.145 64.074 62.100 -0.285 0.000 1.149 22 T CB -0.234 68.195 68.868 -0.731 0.000 0.860 22 T HN 0.604 nan 8.240 nan 0.000 0.449 23 D N 0.162 120.585 120.400 0.038 0.000 2.312 23 D HA -0.060 4.588 4.640 0.014 0.000 0.211 23 D C 1.904 178.313 176.300 0.182 0.000 0.964 23 D CA 0.620 54.759 54.000 0.233 0.000 0.877 23 D CB 0.191 41.227 40.800 0.394 0.000 0.924 23 D HN 0.084 nan 8.370 nan 0.000 0.515 24 R N -0.759 119.816 120.500 0.125 0.000 2.432 24 R HA 0.135 4.484 4.340 0.014 0.000 0.260 24 R C 0.508 176.854 176.300 0.076 0.000 0.935 24 R CA -0.152 55.995 56.100 0.079 0.000 1.080 24 R CB -0.172 30.180 30.300 0.087 0.000 1.155 24 R HN 0.263 nan 8.270 nan 0.000 0.531 25 F N 0.240 120.137 119.950 -0.088 0.000 2.403 25 F HA 0.330 4.864 4.527 0.011 0.000 0.263 25 F C 0.255 176.173 175.800 0.198 0.000 1.020 25 F CA 0.155 58.169 58.000 0.024 0.000 1.091 25 F CB 0.308 39.304 39.000 -0.006 0.000 1.141 25 F HN -0.228 nan 8.300 nan 0.000 0.633 26 S N 0.021 115.827 115.700 0.176 0.000 2.614 26 S HA 0.235 4.713 4.470 0.014 0.000 0.275 26 S C -1.769 172.894 174.600 0.105 0.000 1.161 26 S CA -0.747 57.490 58.200 0.063 0.000 0.969 26 S CB 0.831 63.966 63.200 -0.109 0.000 1.059 26 S HN 0.253 nan 8.310 nan 0.000 0.482 27 D N 3.625 124.079 120.400 0.090 0.000 2.470 27 D HA 0.344 4.993 4.640 0.014 0.000 0.226 27 D C 1.257 177.593 176.300 0.061 0.000 1.196 27 D CA 0.100 54.158 54.000 0.097 0.000 0.979 27 D CB 0.341 41.212 40.800 0.119 0.000 1.059 27 D HN 0.700 nan 8.370 nan 0.000 0.515 28 G N 3.273 112.110 108.800 0.062 0.000 2.712 28 G HA2 -0.116 3.852 3.960 0.014 0.000 0.212 28 G HA3 -0.116 3.852 3.960 0.014 0.000 0.212 28 G C 0.668 175.592 174.900 0.041 0.000 1.142 28 G CA -0.305 44.819 45.100 0.041 0.000 0.789 28 G HN 0.548 nan 8.290 nan 0.000 0.535 29 N N -0.404 118.323 118.700 0.045 0.000 2.549 29 N HA 0.284 5.032 4.740 0.014 0.000 0.281 29 N C -2.469 173.046 175.510 0.008 0.000 1.084 29 N CA -1.516 51.550 53.050 0.027 0.000 0.862 29 N CB 2.548 41.055 38.487 0.033 0.000 1.333 29 N HN -0.244 nan 8.380 nan 0.000 0.523 30 P HA 0.062 nan 4.420 nan 0.000 0.227 30 P C 0.896 178.141 177.300 -0.091 0.000 1.161 30 P CA 0.536 63.617 63.100 -0.030 0.000 0.788 30 P CB 0.320 32.017 31.700 -0.004 0.000 0.822 31 A N 1.080 123.860 122.820 -0.067 0.000 2.067 31 A HA -0.172 4.156 4.320 0.014 0.000 0.219 31 A C 1.675 179.192 177.584 -0.112 0.000 1.158 31 A CA 1.669 53.656 52.037 -0.084 0.000 0.661 31 A CB -1.334 17.636 19.000 -0.050 0.000 0.801 31 A HN 0.291 nan 8.150 nan 0.000 0.452 32 N N -0.294 118.342 118.700 -0.106 0.000 2.322 32 N HA 0.024 4.772 4.740 0.014 0.000 0.194 32 N C -0.585 174.799 175.510 -0.209 0.000 1.126 32 N CA -0.262 52.709 53.050 -0.132 0.000 0.845 32 N CB -0.576 37.857 38.487 -0.090 0.000 0.976 32 N HN 0.164 nan 8.380 nan 0.000 0.475 33 N N 2.175 120.711 118.700 -0.274 0.000 2.497 33 N HA 0.245 4.994 4.740 0.014 0.000 0.268 33 N C -2.307 172.876 175.510 -0.545 0.000 1.171 33 N CA -1.277 51.500 53.050 -0.455 0.000 0.948 33 N CB 0.329 38.373 38.487 -0.738 0.000 1.069 33 N HN 0.179 nan 8.380 nan 0.000 0.460 34 P HA 0.013 nan 4.420 nan 0.000 0.270 34 P C -0.205 176.868 177.300 -0.377 0.000 1.221 34 P CA 0.085 62.955 63.100 -0.384 0.000 0.788 34 P CB 0.430 31.908 31.700 -0.371 0.000 0.904 35 T N -2.359 112.095 114.554 -0.166 0.000 2.930 35 T HA 0.672 5.031 4.350 0.014 0.000 0.290 35 T C 0.564 175.293 174.700 0.047 0.000 1.052 35 T CA -0.095 61.950 62.100 -0.092 0.000 1.017 35 T CB 1.498 70.301 68.868 -0.108 0.000 1.137 35 T HN 0.743 nan 8.240 nan 0.000 0.511 36 G N 1.202 110.052 108.800 0.084 0.000 2.556 36 G HA2 -0.078 3.890 3.960 0.014 0.000 0.283 36 G HA3 -0.078 3.890 3.960 0.014 0.000 0.283 36 G C 1.201 176.173 174.900 0.120 0.000 1.177 36 G CA 0.745 45.896 45.100 0.084 0.000 0.978 36 G HN 1.819 nan 8.290 nan 0.000 0.554 37 A N -0.114 122.762 122.820 0.092 0.000 2.121 37 A HA 0.459 4.788 4.320 0.014 0.000 0.218 37 A C 2.727 180.392 177.584 0.135 0.000 1.154 37 A CA 2.577 54.672 52.037 0.096 0.000 0.679 37 A CB -0.662 18.380 19.000 0.070 0.000 0.795 37 A HN 2.199 nan 8.150 nan 0.000 0.458 38 A N -1.916 121.009 122.820 0.175 0.000 2.169 38 A HA 0.417 4.745 4.320 0.014 0.000 0.212 38 A C 0.425 178.225 177.584 0.360 0.000 1.153 38 A CA 0.330 52.520 52.037 0.255 0.000 0.756 38 A CB -0.226 18.913 19.000 0.232 0.000 0.813 38 A HN 0.517 nan 8.150 nan 0.000 0.471 39 F N -0.555 119.455 119.950 0.101 0.000 2.551 39 F HA 0.600 5.136 4.527 0.016 0.000 0.316 39 F C -1.625 174.211 175.800 0.059 0.000 1.089 39 F CA -1.706 56.351 58.000 0.095 0.000 0.915 39 F CB 1.946 40.976 39.000 0.049 0.000 1.186 39 F HN -0.040 nan 8.300 nan 0.000 0.456 40 D N 2.959 122.933 120.400 -0.710 0.000 2.336 40 D HA 0.273 4.921 4.640 0.014 0.000 0.248 40 D C 0.780 176.505 176.300 -0.957 0.000 1.326 40 D CA -0.046 53.567 54.000 -0.646 0.000 0.973 40 D CB 1.260 41.886 40.800 -0.291 0.000 1.255 40 D HN 0.716 nan 8.370 nan 0.000 0.558 41 G N 1.475 109.588 108.800 -1.144 0.000 2.470 41 G HA2 -0.200 3.769 3.960 0.014 0.000 0.220 41 G HA3 -0.200 3.769 3.960 0.014 0.000 0.220 41 G C 1.264 176.012 174.900 -0.253 0.000 1.121 41 G CA 1.069 45.800 45.100 -0.616 0.000 0.766 41 G HN 0.505 nan 8.290 nan 0.000 0.553 42 S N -1.660 113.912 115.700 -0.214 0.000 2.562 42 S HA 0.024 4.502 4.470 0.014 0.000 0.221 42 S C 1.313 175.839 174.600 -0.124 0.000 0.975 42 S CA 0.476 58.603 58.200 -0.121 0.000 0.918 42 S CB -0.532 62.614 63.200 -0.089 0.000 0.772 42 S HN 0.729 nan 8.310 nan 0.000 0.531 43 c N 1.706 120.200 118.600 -0.176 0.000 4.268 43 c HA -0.194 4.384 4.570 0.014 0.000 0.299 43 c C 1.602 175.624 174.090 -0.114 0.000 1.429 43 c CA 1.052 57.290 56.329 -0.150 0.000 2.018 43 c CB -2.874 39.571 42.510 -0.108 0.000 1.277 43 c HN 0.779 nan 8.230 nan 0.000 0.767 44 T N -0.458 114.032 114.554 -0.108 0.000 2.978 44 T HA -0.042 4.316 4.350 0.014 0.000 0.262 44 T C 0.735 175.388 174.700 -0.079 0.000 1.063 44 T CA 1.431 63.485 62.100 -0.078 0.000 1.140 44 T CB -0.167 68.662 68.868 -0.065 0.000 0.886 44 T HN 0.718 nan 8.240 nan 0.000 0.470 45 N N 1.653 120.294 118.700 -0.098 0.000 2.485 45 N HA 0.212 4.960 4.740 0.014 0.000 0.243 45 N C 0.240 175.665 175.510 -0.142 0.000 0.987 45 N CA -0.305 52.692 53.050 -0.088 0.000 0.940 45 N CB 0.510 38.956 38.487 -0.068 0.000 1.122 45 N HN 0.183 nan 8.380 nan 0.000 0.509 46 L N 2.904 124.042 121.223 -0.142 0.000 2.650 46 L HA 0.145 4.493 4.340 0.014 0.000 0.235 46 L C 1.403 178.055 176.870 -0.364 0.000 1.149 46 L CA 0.326 55.025 54.840 -0.234 0.000 0.887 46 L CB 0.005 41.976 42.059 -0.147 0.000 1.021 46 L HN 0.389 nan 8.230 nan 0.000 0.441 47 R N -0.879 119.485 120.500 -0.225 0.000 2.397 47 R HA 0.310 4.658 4.340 0.014 0.000 0.241 47 R C 0.153 176.375 176.300 -0.129 0.000 0.914 47 R CA -0.068 55.954 56.100 -0.130 0.000 1.071 47 R CB 0.601 30.947 30.300 0.077 0.000 1.116 47 R HN 0.220 nan 8.270 nan 0.000 0.524 48 L N -0.238 120.867 121.223 -0.196 0.000 2.331 48 L HA 0.394 4.742 4.340 0.014 0.000 0.268 48 L C -0.278 176.519 176.870 -0.122 0.000 1.015 48 L CA -1.263 53.535 54.840 -0.070 0.000 0.807 48 L CB 0.606 42.653 42.059 -0.020 0.000 1.293 48 L HN -0.077 nan 8.230 nan 0.000 0.451 49 Y N -0.700 119.627 120.300 0.045 0.000 2.442 49 Y HA -0.013 4.545 4.550 0.014 0.000 0.330 49 Y C 0.910 176.824 175.900 0.024 0.000 1.129 49 Y CA -0.023 58.156 58.100 0.131 0.000 1.365 49 Y CB 0.804 39.427 38.460 0.272 0.000 1.233 49 Y HN 0.532 nan 8.280 nan 0.000 0.529 50 c N 0.950 119.650 118.600 0.167 0.000 2.780 50 c HA 0.318 4.896 4.570 0.014 0.000 0.267 50 c C 1.763 175.999 174.090 0.242 0.000 1.266 50 c CA 0.512 56.838 56.329 -0.005 0.000 1.709 50 c CB -0.531 41.961 42.510 -0.029 0.000 1.975 50 c HN 1.220 nan 8.230 nan 0.000 0.582 51 G N 0.200 109.277 108.800 0.461 0.000 2.231 51 G HA2 -0.043 3.925 3.960 0.014 0.000 0.206 51 G HA3 -0.043 3.925 3.960 0.014 0.000 0.206 51 G C 0.394 175.447 174.900 0.254 0.000 0.996 51 G CA -0.116 45.244 45.100 0.434 0.000 0.645 51 G HN 0.769 nan 8.290 nan 0.000 0.498 52 G N 0.747 109.687 108.800 0.233 0.000 2.432 52 G HA2 0.544 4.512 3.960 0.014 0.000 0.239 52 G HA3 0.544 4.512 3.960 0.014 0.000 0.239 52 G C -0.016 174.976 174.900 0.153 0.000 1.291 52 G CA 1.157 46.365 45.100 0.180 0.000 0.863 52 G HN 1.063 nan 8.290 nan 0.000 0.560 53 D N -0.585 119.881 120.400 0.111 0.000 2.759 53 D HA 0.188 4.836 4.640 0.014 0.000 0.321 53 D C 0.387 176.761 176.300 0.123 0.000 1.267 53 D CA -0.861 53.153 54.000 0.023 0.000 0.933 53 D CB 0.159 40.983 40.800 0.039 0.000 1.431 53 D HN 0.304 nan 8.370 nan 0.000 0.504 54 W N -0.409 120.963 121.300 0.119 0.000 2.418 54 W HA 0.001 4.668 4.660 0.012 0.000 0.292 54 W C 2.109 178.674 176.519 0.077 0.000 1.213 54 W CA 0.934 58.333 57.345 0.091 0.000 1.283 54 W CB -0.952 28.591 29.460 0.140 0.000 1.119 54 W HN 0.537 nan 8.180 nan 0.000 0.542 55 Q N 0.415 120.384 119.800 0.282 0.000 2.135 55 Q HA -0.100 4.248 4.340 0.014 0.000 0.204 55 Q C 2.322 178.400 176.000 0.131 0.000 0.981 55 Q CA 2.387 58.292 55.803 0.170 0.000 0.856 55 Q CB -1.002 27.811 28.738 0.124 0.000 0.902 55 Q HN 0.175 nan 8.270 nan 0.000 0.425 56 G N -0.124 108.765 108.800 0.147 0.000 2.422 56 G HA2 -0.144 3.824 3.960 0.014 0.000 0.218 56 G HA3 -0.144 3.824 3.960 0.014 0.000 0.218 56 G C 1.392 176.404 174.900 0.187 0.000 1.140 56 G CA 0.780 45.951 45.100 0.119 0.000 0.775 56 G HN 0.423 nan 8.290 nan 0.000 0.545 57 I N 0.320 121.053 120.570 0.273 0.000 2.286 57 I HA -0.033 4.145 4.170 0.014 0.000 0.245 57 I C 2.572 178.778 176.117 0.148 0.000 1.104 57 I CA 0.489 61.964 61.300 0.291 0.000 1.397 57 I CB -0.170 37.961 38.000 0.218 0.000 1.072 57 I HN 0.108 nan 8.210 nan 0.000 0.417 58 I N 1.222 121.852 120.570 0.099 0.000 2.163 58 I HA -0.335 3.843 4.170 0.014 0.000 0.243 58 I C 2.186 178.305 176.117 0.005 0.000 1.085 58 I CA 1.472 62.792 61.300 0.034 0.000 1.347 58 I CB -0.575 37.455 38.000 0.049 0.000 1.044 58 I HN 0.308 nan 8.210 nan 0.000 0.408 59 N N 0.847 119.553 118.700 0.010 0.000 2.149 59 N HA -0.159 4.589 4.740 0.014 0.000 0.188 59 N C 1.650 177.117 175.510 -0.070 0.000 1.019 59 N CA 1.123 54.150 53.050 -0.039 0.000 0.857 59 N CB -0.233 38.215 38.487 -0.066 0.000 0.997 59 N HN 0.298 nan 8.380 nan 0.000 0.426 60 K N 0.449 120.831 120.400 -0.028 0.000 2.365 60 K HA 0.159 4.488 4.320 0.014 0.000 0.197 60 K C 1.927 178.557 176.600 0.049 0.000 1.042 60 K CA 0.121 56.411 56.287 0.006 0.000 0.987 60 K CB 0.145 32.748 32.500 0.172 0.000 0.779 60 K HN 0.293 nan 8.250 nan 0.000 0.484 61 I N 1.227 121.779 120.570 -0.030 0.000 2.333 61 I HA -0.205 3.974 4.170 0.014 0.000 0.246 61 I C 1.708 177.636 176.117 -0.314 0.000 1.106 61 I CA 0.743 61.937 61.300 -0.177 0.000 1.411 61 I CB -0.147 37.716 38.000 -0.229 0.000 1.082 61 I HN 0.076 nan 8.210 nan 0.000 0.420 62 N N 1.160 119.719 118.700 -0.235 0.000 2.188 62 N HA -0.166 4.583 4.740 0.014 0.000 0.184 62 N C 1.164 176.639 175.510 -0.059 0.000 1.018 62 N CA 1.554 54.516 53.050 -0.148 0.000 0.858 62 N CB -0.385 38.071 38.487 -0.052 0.000 0.989 62 N HN 0.490 nan 8.380 nan 0.000 0.426 63 D N -1.256 119.114 120.400 -0.050 0.000 2.340 63 D HA 0.130 4.778 4.640 0.014 0.000 0.220 63 D C 1.107 177.414 176.300 0.012 0.000 1.039 63 D CA 0.534 54.520 54.000 -0.023 0.000 0.866 63 D CB -0.302 40.464 40.800 -0.056 0.000 0.913 63 D HN 0.208 nan 8.370 nan 0.000 0.523 64 G N -0.316 108.492 108.800 0.012 0.000 2.157 64 G HA2 -0.414 3.554 3.960 0.014 0.000 0.239 64 G HA3 -0.414 3.554 3.960 0.014 0.000 0.239 64 G C 0.563 175.515 174.900 0.086 0.000 0.982 64 G CA 0.322 45.444 45.100 0.037 0.000 0.650 64 G HN 0.369 nan 8.290 nan 0.000 0.527 65 Y N 0.729 121.036 120.300 0.011 0.000 2.133 65 Y HA 0.220 4.775 4.550 0.007 0.000 0.287 65 Y C 2.611 178.595 175.900 0.141 0.000 1.134 65 Y CA 2.277 60.441 58.100 0.106 0.000 1.133 65 Y CB -0.294 38.201 38.460 0.058 0.000 0.987 65 Y HN 0.271 nan 8.280 nan 0.000 0.502 66 L N -0.697 120.506 121.223 -0.034 0.000 2.095 66 L HA -0.148 4.200 4.340 0.014 0.000 0.204 66 L C 2.525 179.278 176.870 -0.196 0.000 1.080 66 L CA 1.723 56.443 54.840 -0.200 0.000 0.759 66 L CB -0.965 41.042 42.059 -0.087 0.000 0.914 66 L HN 0.341 nan 8.230 nan 0.000 0.439 67 T N -3.258 111.234 114.554 -0.102 0.000 2.867 67 T HA -0.079 4.279 4.350 0.014 0.000 0.268 67 T C 1.925 176.582 174.700 -0.073 0.000 1.057 67 T CA 0.898 62.955 62.100 -0.071 0.000 1.136 67 T CB -0.829 68.031 68.868 -0.014 0.000 0.874 67 T HN 0.367 nan 8.240 nan 0.000 0.466 68 G N 0.695 109.472 108.800 -0.039 0.000 2.470 68 G HA2 -0.088 3.880 3.960 0.014 0.000 0.220 68 G HA3 -0.088 3.880 3.960 0.014 0.000 0.220 68 G C 1.450 176.299 174.900 -0.086 0.000 1.121 68 G CA 0.604 45.721 45.100 0.029 0.000 0.766 68 G HN 0.518 nan 8.290 nan 0.000 0.553 69 M N -0.063 119.320 119.600 -0.362 0.000 2.541 69 M HA 0.246 4.735 4.480 0.014 0.000 0.252 69 M C 1.706 177.773 176.300 -0.388 0.000 1.125 69 M CA 0.926 55.788 55.300 -0.729 0.000 1.091 69 M CB 0.431 32.457 32.600 -0.956 0.000 1.420 69 M HN 0.348 nan 8.290 nan 0.000 0.486 70 G N 1.358 110.016 108.800 -0.235 0.000 2.141 70 G HA2 -0.188 3.780 3.960 0.014 0.000 0.242 70 G HA3 -0.188 3.780 3.960 0.014 0.000 0.242 70 G C -0.017 174.802 174.900 -0.136 0.000 0.982 70 G CA -0.320 44.686 45.100 -0.156 0.000 0.662 70 G HN 0.360 nan 8.290 nan 0.000 0.527 71 I N 1.977 122.454 120.570 -0.156 0.000 2.648 71 I HA 0.250 4.428 4.170 0.014 0.000 0.284 71 I C 1.765 177.851 176.117 -0.053 0.000 1.153 71 I CA 1.511 62.757 61.300 -0.091 0.000 1.426 71 I CB 0.882 38.796 38.000 -0.143 0.000 1.381 71 I HN 0.387 nan 8.210 nan 0.000 0.571 72 T N 1.843 116.383 114.554 -0.023 0.000 3.091 72 T HA 0.643 5.001 4.350 0.014 0.000 0.277 72 T C 0.132 174.834 174.700 0.003 0.000 0.996 72 T CA -0.129 61.951 62.100 -0.034 0.000 0.897 72 T CB 0.288 69.103 68.868 -0.088 0.000 1.109 72 T HN 0.697 nan 8.240 nan 0.000 0.534 73 A N 1.639 124.517 122.820 0.097 0.000 2.547 73 A HA 0.768 5.096 4.320 0.014 0.000 0.297 73 A C -0.970 176.772 177.584 0.263 0.000 1.056 73 A CA -1.208 50.954 52.037 0.207 0.000 0.688 73 A CB 1.141 20.364 19.000 0.371 0.000 1.282 73 A HN 0.686 nan 8.150 nan 0.000 0.400 74 I N -1.777 118.954 120.570 0.269 0.000 2.603 74 I HA 0.866 5.044 4.170 0.014 0.000 0.300 74 I C -0.897 175.440 176.117 0.367 0.000 1.017 74 I CA -0.793 60.674 61.300 0.277 0.000 1.098 74 I CB 1.962 40.055 38.000 0.155 0.000 1.279 74 I HN 0.739 nan 8.210 nan 0.000 0.437 75 W N 8.221 129.606 121.300 0.141 0.000 2.538 75 W HA 0.770 5.441 4.660 0.018 0.000 0.322 75 W C -1.523 175.016 176.519 0.033 0.000 1.028 75 W CA -1.913 55.505 57.345 0.121 0.000 1.228 75 W CB 0.963 30.533 29.460 0.184 0.000 1.356 75 W HN 0.653 nan 8.180 nan 0.000 0.452 76 I N 2.365 123.092 120.570 0.262 0.000 2.957 76 I HA 0.662 4.840 4.170 0.014 0.000 0.310 76 I C 0.416 176.506 176.117 -0.044 0.000 1.063 76 I CA -1.065 60.237 61.300 0.002 0.000 1.033 76 I CB 1.718 39.749 38.000 0.052 0.000 1.230 76 I HN 0.195 nan 8.210 nan 0.000 0.447 77 S N 1.735 117.266 115.700 -0.282 0.000 2.559 77 S HA -0.065 4.413 4.470 0.014 0.000 0.282 77 S C 0.034 174.571 174.600 -0.104 0.000 1.336 77 S CA -0.221 57.749 58.200 -0.383 0.000 1.037 77 S CB 0.166 63.032 63.200 -0.555 0.000 0.853 77 S HN 0.724 nan 8.310 nan 0.000 0.523 78 Q N 3.195 122.922 119.800 -0.123 0.000 2.269 78 Q HA -0.009 4.339 4.340 0.014 0.000 0.300 78 Q C -1.452 174.587 176.000 0.066 0.000 1.070 78 Q CA -1.082 54.695 55.803 -0.045 0.000 0.957 78 Q CB 0.589 29.277 28.738 -0.084 0.000 1.131 78 Q HN 0.356 nan 8.270 nan 0.000 0.377 79 P HA -0.048 nan 4.420 nan 0.000 0.236 79 P C 0.403 177.775 177.300 0.120 0.000 1.177 79 P CA 0.346 63.563 63.100 0.195 0.000 0.773 79 P CB -0.068 31.428 31.700 -0.339 0.000 0.878 80 V N -1.362 118.513 119.914 -0.064 0.000 2.924 80 V HA 0.223 4.351 4.120 0.014 0.000 0.305 80 V C 0.436 176.497 176.094 -0.056 0.000 1.073 80 V CA -0.959 61.376 62.300 0.057 0.000 1.098 80 V CB 0.191 31.999 31.823 -0.026 0.000 1.000 80 V HN -0.020 nan 8.190 nan 0.000 0.484 81 E N 3.318 123.506 120.200 -0.020 0.000 2.417 81 E HA 0.080 4.438 4.350 0.014 0.000 0.261 81 E C -0.087 176.373 176.600 -0.233 0.000 1.000 81 E CA 0.101 56.426 56.400 -0.125 0.000 0.919 81 E CB 0.253 29.929 29.700 -0.040 0.000 0.955 81 E HN 0.895 nan 8.360 nan 0.000 0.455 82 N N 3.015 121.511 118.700 -0.340 0.000 2.518 82 N HA 0.302 5.050 4.740 0.014 0.000 0.284 82 N C 0.042 175.299 175.510 -0.421 0.000 1.230 82 N CA -0.765 52.115 53.050 -0.284 0.000 0.941 82 N CB 0.936 39.283 38.487 -0.234 0.000 1.219 82 N HN 0.466 nan 8.380 nan 0.000 0.560 83 I N -0.863 119.598 120.570 -0.181 0.000 2.754 83 I HA -0.003 4.176 4.170 0.014 0.000 0.285 83 I C 0.096 176.053 176.117 -0.266 0.000 1.166 83 I CA -0.051 61.140 61.300 -0.182 0.000 1.417 83 I CB 0.257 38.258 38.000 0.001 0.000 1.382 83 I HN 0.594 nan 8.210 nan 0.000 0.588 84 Y N 2.295 122.615 120.300 0.032 0.000 2.523 84 Y HA 0.116 4.674 4.550 0.014 0.000 0.279 84 Y C 1.556 177.480 175.900 0.040 0.000 1.139 84 Y CA -0.033 58.080 58.100 0.022 0.000 1.296 84 Y CB -0.373 38.067 38.460 -0.034 0.000 1.045 84 Y HN 0.574 nan 8.280 nan 0.000 0.538 85 S N 0.716 116.493 115.700 0.128 0.000 2.552 85 S HA 0.132 4.610 4.470 0.014 0.000 0.289 85 S C -0.007 174.643 174.600 0.084 0.000 1.304 85 S CA -0.431 57.797 58.200 0.046 0.000 1.063 85 S CB 0.915 64.061 63.200 -0.091 0.000 0.848 85 S HN -0.042 nan 8.310 nan 0.000 0.499 86 V N 4.770 124.721 119.914 0.061 0.000 2.364 86 V HA 0.311 4.440 4.120 0.014 0.000 0.272 86 V C 0.157 176.248 176.094 -0.006 0.000 1.036 86 V CA -0.350 62.001 62.300 0.084 0.000 0.880 86 V CB 0.337 32.212 31.823 0.087 0.000 0.991 86 V HN 0.698 nan 8.190 nan 0.000 0.460 87 I N 4.756 125.310 120.570 -0.026 0.000 2.385 87 I HA 0.356 4.534 4.170 0.014 0.000 0.294 87 I C 0.318 176.327 176.117 -0.180 0.000 0.988 87 I CA -0.268 60.898 61.300 -0.222 0.000 1.265 87 I CB 1.270 39.011 38.000 -0.431 0.000 1.388 87 I HN 0.531 nan 8.210 nan 0.000 0.480 88 N N 6.143 124.736 118.700 -0.180 0.000 2.457 88 N HA 0.222 4.970 4.740 0.014 0.000 0.250 88 N C -1.707 173.746 175.510 -0.095 0.000 0.982 88 N CA -0.345 52.666 53.050 -0.065 0.000 0.941 88 N CB 0.746 39.232 38.487 -0.002 0.000 1.120 88 N HN 0.336 nan 8.380 nan 0.000 0.505 89 Y N 1.568 121.940 120.300 0.120 0.000 2.369 89 Y HA 0.139 4.697 4.550 0.013 0.000 0.337 89 Y C 0.755 176.691 175.900 0.061 0.000 0.961 89 Y CA -0.693 57.462 58.100 0.092 0.000 1.186 89 Y CB 0.924 39.442 38.460 0.097 0.000 1.139 89 Y HN 0.463 nan 8.280 nan 0.000 0.494 90 S N 2.081 117.897 115.700 0.193 0.000 3.336 90 S HA -0.181 4.298 4.470 0.014 0.000 0.362 90 S C 1.334 175.987 174.600 0.087 0.000 0.941 90 S CA 1.001 59.267 58.200 0.110 0.000 1.297 90 S CB -1.582 61.672 63.200 0.090 0.000 0.915 90 S HN 1.561 nan 8.310 nan 0.000 0.527 91 G N -1.687 107.160 108.800 0.079 0.000 2.399 91 G HA2 -0.266 3.702 3.960 0.014 0.000 0.216 91 G HA3 -0.266 3.702 3.960 0.014 0.000 0.216 91 G C 0.084 175.029 174.900 0.074 0.000 1.096 91 G CA -0.252 44.886 45.100 0.063 0.000 0.650 91 G HN 1.394 nan 8.290 nan 0.000 0.512 92 V N 1.996 121.974 119.914 0.106 0.000 2.509 92 V HA 0.423 4.551 4.120 0.014 0.000 0.284 92 V C 0.492 176.669 176.094 0.137 0.000 1.047 92 V CA -0.577 61.792 62.300 0.114 0.000 0.952 92 V CB 1.363 33.261 31.823 0.126 0.000 0.988 92 V HN 0.449 nan 8.190 nan 0.000 0.469 93 N N 3.651 122.417 118.700 0.109 0.000 2.529 93 N HA 0.339 5.087 4.740 0.014 0.000 0.278 93 N C -0.610 175.001 175.510 0.168 0.000 1.146 93 N CA -0.375 52.742 53.050 0.112 0.000 0.980 93 N CB 0.609 39.147 38.487 0.084 0.000 1.124 93 N HN 0.676 nan 8.380 nan 0.000 0.458 94 N N 0.392 119.221 118.700 0.214 0.000 2.260 94 N HA 0.339 5.087 4.740 0.014 0.000 0.293 94 N C -1.177 174.532 175.510 0.332 0.000 1.058 94 N CA -0.368 52.883 53.050 0.335 0.000 0.824 94 N CB 2.261 41.106 38.487 0.597 0.000 1.551 94 N HN 0.552 nan 8.380 nan 0.000 0.475 95 T N -2.509 112.187 114.554 0.237 0.000 2.888 95 T HA 0.577 4.936 4.350 0.014 0.000 0.288 95 T C 0.397 174.932 174.700 -0.276 0.000 1.063 95 T CA -0.740 61.457 62.100 0.162 0.000 1.010 95 T CB 1.614 70.578 68.868 0.159 0.000 1.214 95 T HN 0.339 nan 8.240 nan 0.000 0.533 96 A N 0.523 123.142 122.820 -0.334 0.000 2.543 96 A HA 0.269 4.598 4.320 0.014 0.000 0.258 96 A C 1.267 178.131 177.584 -1.200 0.000 1.391 96 A CA -0.173 51.342 52.037 -0.871 0.000 1.066 96 A CB -1.761 17.118 19.000 -0.201 0.000 0.972 96 A HN 0.951 nan 8.150 nan 0.000 0.560 97 Y N -0.237 119.219 120.300 -1.407 0.000 2.256 97 Y HA -0.321 4.238 4.550 0.014 0.000 0.288 97 Y C 1.856 177.428 175.900 -0.546 0.000 1.155 97 Y CA 1.754 59.093 58.100 -1.268 0.000 1.203 97 Y CB -1.062 36.861 38.460 -0.894 0.000 0.980 97 Y HN 0.640 nan 8.280 nan 0.000 0.530 98 H N -1.242 116.981 119.070 -1.412 0.000 2.547 98 H HA 0.329 4.892 4.556 0.013 0.000 0.272 98 H C 2.011 176.704 175.328 -1.059 0.000 0.989 98 H CA -0.057 55.294 56.048 -1.162 0.000 1.214 98 H CB -0.627 28.506 29.762 -1.049 0.000 1.389 98 H HN 0.468 nan 8.280 nan 0.000 0.577 99 G N -0.077 108.367 108.800 -0.592 0.000 2.205 99 G HA2 -0.391 3.577 3.960 0.014 0.000 0.261 99 G HA3 -0.391 3.577 3.960 0.014 0.000 0.261 99 G C 0.520 175.265 174.900 -0.259 0.000 0.980 99 G CA 0.497 45.379 45.100 -0.363 0.000 0.632 99 G HN 0.505 nan 8.290 nan 0.000 0.533 100 Y N -1.010 119.316 120.300 0.042 0.000 2.578 100 Y HA 0.307 4.864 4.550 0.012 0.000 0.297 100 Y C 0.993 177.096 175.900 0.340 0.000 1.176 100 Y CA -0.304 57.847 58.100 0.085 0.000 1.315 100 Y CB 0.114 38.539 38.460 -0.058 0.000 1.031 100 Y HN 0.396 nan 8.280 nan 0.000 0.524 101 W N 1.153 122.582 121.300 0.215 0.000 2.101 101 W HA 0.686 5.356 4.660 0.016 0.000 0.301 101 W C 0.022 176.524 176.519 -0.028 0.000 0.846 101 W CA -2.168 55.262 57.345 0.143 0.000 1.823 101 W CB -0.436 29.096 29.460 0.121 0.000 2.007 101 W HN -0.186 nan 8.180 nan 0.000 0.373 102 A N 2.187 125.049 122.820 0.070 0.000 2.462 102 A HA 0.407 4.735 4.320 0.014 0.000 0.243 102 A C 1.377 178.896 177.584 -0.109 0.000 1.076 102 A CA 0.052 51.931 52.037 -0.263 0.000 0.773 102 A CB 0.562 18.966 19.000 -0.993 0.000 1.010 102 A HN 0.653 nan 8.150 nan 0.000 0.493 103 R N 0.336 120.780 120.500 -0.094 0.000 2.369 103 R HA 0.275 4.623 4.340 0.014 0.000 0.210 103 R C -0.771 175.659 176.300 0.216 0.000 0.881 103 R CA 0.158 56.329 56.100 0.118 0.000 1.031 103 R CB 0.575 30.965 30.300 0.151 0.000 1.184 103 R HN 0.514 nan 8.270 nan 0.000 0.581 104 D N -0.003 120.444 120.400 0.078 0.000 2.616 104 D HA 0.175 4.824 4.640 0.014 0.000 0.238 104 D C -0.728 175.705 176.300 0.222 0.000 1.354 104 D CA -0.718 53.449 54.000 0.278 0.000 0.970 104 D CB 1.123 42.070 40.800 0.244 0.000 1.369 104 D HN -0.005 nan 8.370 nan 0.000 0.585 105 F N 1.843 122.034 119.950 0.402 0.000 2.802 105 F HA 0.180 4.715 4.527 0.014 0.000 0.300 105 F C 1.983 178.063 175.800 0.467 0.000 1.168 105 F CA 0.458 58.691 58.000 0.389 0.000 1.433 105 F CB 0.341 39.517 39.000 0.294 0.000 1.115 105 F HN 0.122 nan 8.300 nan 0.000 0.582 106 K N -0.326 120.347 120.400 0.454 0.000 2.387 106 K HA 0.189 4.517 4.320 0.014 0.000 0.203 106 K C 0.255 176.937 176.600 0.137 0.000 1.030 106 K CA 0.111 56.529 56.287 0.218 0.000 1.099 106 K CB 0.686 33.283 32.500 0.161 0.000 0.863 106 K HN 0.112 nan 8.250 nan 0.000 0.529 107 K N 0.750 121.303 120.400 0.255 0.000 2.444 107 K HA 0.251 4.579 4.320 0.014 0.000 0.252 107 K C -0.217 176.576 176.600 0.322 0.000 0.993 107 K CA -0.638 55.767 56.287 0.197 0.000 0.847 107 K CB 2.038 34.624 32.500 0.144 0.000 1.340 107 K HN -0.037 nan 8.250 nan 0.000 0.446 108 T N -1.487 113.247 114.554 0.300 0.000 2.881 108 T HA 0.186 4.545 4.350 0.014 0.000 0.278 108 T C 0.189 174.967 174.700 0.130 0.000 0.982 108 T CA -0.814 61.512 62.100 0.377 0.000 0.989 108 T CB 0.769 69.946 68.868 0.516 0.000 1.058 108 T HN 0.437 nan 8.240 nan 0.000 0.529 109 N N 2.284 120.976 118.700 -0.012 0.000 2.401 109 N HA 0.198 4.947 4.740 0.014 0.000 0.255 109 N C -1.417 173.915 175.510 -0.296 0.000 1.110 109 N CA -2.461 50.420 53.050 -0.281 0.000 0.949 109 N CB 1.073 39.179 38.487 -0.636 0.000 1.110 109 N HN 0.360 nan 8.380 nan 0.000 0.490 110 P HA -0.102 nan 4.420 nan 0.000 0.225 110 P C 0.753 177.926 177.300 -0.213 0.000 1.148 110 P CA 0.715 63.742 63.100 -0.123 0.000 0.779 110 P CB 0.230 31.908 31.700 -0.036 0.000 0.780 111 A N -0.905 121.710 122.820 -0.342 0.000 1.969 111 A HA -0.175 4.153 4.320 0.014 0.000 0.218 111 A C 2.012 179.485 177.584 -0.184 0.000 1.169 111 A CA 1.126 52.961 52.037 -0.337 0.000 0.635 111 A CB -1.388 17.276 19.000 -0.560 0.000 0.810 111 A HN 0.069 nan 8.150 nan 0.000 0.445 112 Y N -0.787 119.230 120.300 -0.472 0.000 2.269 112 Y HA 0.371 4.929 4.550 0.014 0.000 0.294 112 Y C 1.595 176.956 175.900 -0.899 0.000 1.120 112 Y CA 0.204 57.768 58.100 -0.893 0.000 1.159 112 Y CB -0.720 36.821 38.460 -1.533 0.000 1.024 112 Y HN 0.423 nan 8.280 nan 0.000 0.532 113 G N -1.186 107.312 108.800 -0.504 0.000 2.341 113 G HA2 0.314 4.282 3.960 0.014 0.000 0.293 113 G HA3 0.314 4.282 3.960 0.014 0.000 0.293 113 G C -0.732 174.287 174.900 0.198 0.000 1.298 113 G CA -0.474 44.620 45.100 -0.010 0.000 0.868 113 G HN 0.172 nan 8.290 nan 0.000 0.540 114 T N -1.730 113.019 114.554 0.325 0.000 2.862 114 T HA 0.488 4.846 4.350 0.014 0.000 0.276 114 T C 1.706 176.675 174.700 0.449 0.000 0.974 114 T CA -0.271 62.008 62.100 0.298 0.000 0.966 114 T CB 1.033 70.014 68.868 0.189 0.000 1.072 114 T HN 0.346 nan 8.240 nan 0.000 0.538 115 M N -0.000 119.789 119.600 0.316 0.000 2.202 115 M HA -0.102 4.386 4.480 0.014 0.000 0.262 115 M C 2.312 178.782 176.300 0.284 0.000 1.063 115 M CA 1.634 57.110 55.300 0.292 0.000 1.097 115 M CB -1.452 31.233 32.600 0.142 0.000 1.382 115 M HN 0.826 nan 8.290 nan 0.000 0.413 116 Q N 0.907 120.839 119.800 0.219 0.000 2.084 116 Q HA -0.149 4.199 4.340 0.014 0.000 0.202 116 Q C 1.403 177.522 176.000 0.199 0.000 0.978 116 Q CA 1.725 57.630 55.803 0.169 0.000 0.844 116 Q CB -0.165 28.649 28.738 0.127 0.000 0.898 116 Q HN 0.420 nan 8.270 nan 0.000 0.426 117 D N -0.770 119.807 120.400 0.294 0.000 2.144 117 D HA -0.140 4.508 4.640 0.014 0.000 0.200 117 D C 1.549 178.030 176.300 0.302 0.000 0.978 117 D CA 0.752 54.956 54.000 0.340 0.000 0.833 117 D CB -0.304 40.795 40.800 0.498 0.000 0.961 117 D HN 0.294 nan 8.370 nan 0.000 0.470 118 F N 1.760 121.804 119.950 0.157 0.000 2.113 118 F HA -0.129 4.406 4.527 0.013 0.000 0.297 118 F C 2.217 177.930 175.800 -0.145 0.000 1.103 118 F CA 1.301 59.132 58.000 -0.283 0.000 1.248 118 F CB 0.195 39.033 39.000 -0.268 0.000 0.999 118 F HN -0.223 nan 8.300 nan 0.000 0.475 119 K N 0.228 120.649 120.400 0.036 0.000 2.097 119 K HA -0.162 4.166 4.320 0.014 0.000 0.205 119 K C 1.630 178.164 176.600 -0.110 0.000 1.050 119 K CA 1.830 58.090 56.287 -0.045 0.000 0.938 119 K CB -0.377 32.160 32.500 0.060 0.000 0.718 119 K HN 0.452 nan 8.250 nan 0.000 0.442 120 N N 0.765 119.437 118.700 -0.048 0.000 2.188 120 N HA -0.161 4.587 4.740 0.014 0.000 0.184 120 N C 1.706 177.150 175.510 -0.110 0.000 1.018 120 N CA 0.455 53.481 53.050 -0.040 0.000 0.858 120 N CB -0.037 38.464 38.487 0.024 0.000 0.989 120 N HN 0.015 nan 8.380 nan 0.000 0.426 121 L N 1.375 122.476 121.223 -0.204 0.000 2.017 121 L HA -0.101 4.248 4.340 0.014 0.000 0.208 121 L C 1.828 178.467 176.870 -0.386 0.000 1.073 121 L CA 1.429 56.096 54.840 -0.288 0.000 0.745 121 L CB -0.489 41.299 42.059 -0.452 0.000 0.894 121 L HN 0.117 nan 8.230 nan 0.000 0.432 122 I N 0.177 120.414 120.570 -0.556 0.000 2.118 122 I HA -0.308 3.871 4.170 0.014 0.000 0.241 122 I C 2.240 178.023 176.117 -0.557 0.000 1.070 122 I CA 1.568 62.495 61.300 -0.621 0.000 1.327 122 I CB -1.537 36.148 38.000 -0.525 0.000 1.034 122 I HN 0.351 nan 8.210 nan 0.000 0.405 123 D N 0.269 120.499 120.400 -0.285 0.000 2.117 123 D HA -0.114 4.534 4.640 0.014 0.000 0.198 123 D C 2.186 178.453 176.300 -0.055 0.000 0.982 123 D CA 1.513 55.437 54.000 -0.126 0.000 0.828 123 D CB -0.286 40.485 40.800 -0.050 0.000 0.967 123 D HN 0.282 nan 8.370 nan 0.000 0.464 124 T N 0.741 115.269 114.554 -0.042 0.000 2.821 124 T HA -0.062 4.296 4.350 0.014 0.000 0.267 124 T C 1.993 176.767 174.700 0.123 0.000 1.046 124 T CA 1.284 63.430 62.100 0.077 0.000 1.139 124 T CB -0.142 68.746 68.868 0.034 0.000 0.871 124 T HN 0.177 nan 8.240 nan 0.000 0.454 125 A N 1.452 124.252 122.820 -0.033 0.000 1.855 125 A HA -0.145 4.183 4.320 0.014 0.000 0.215 125 A C 2.091 179.740 177.584 0.109 0.000 1.191 125 A CA 1.404 53.439 52.037 -0.002 0.000 0.613 125 A CB -0.829 18.108 19.000 -0.104 0.000 0.829 125 A HN 0.455 nan 8.150 nan 0.000 0.442 126 H N -0.032 119.043 119.070 0.009 0.000 2.387 126 H HA 0.014 4.578 4.556 0.014 0.000 0.299 126 H C 2.428 177.748 175.328 -0.013 0.000 1.090 126 H CA 1.048 57.090 56.048 -0.010 0.000 1.332 126 H CB -0.781 28.966 29.762 -0.024 0.000 1.386 126 H HN 0.494 nan 8.280 nan 0.000 0.516 127 A N 0.570 123.456 122.820 0.110 0.000 2.070 127 A HA -0.162 4.166 4.320 0.014 0.000 0.220 127 A C 1.268 178.767 177.584 -0.142 0.000 1.159 127 A CA 1.298 53.313 52.037 -0.037 0.000 0.656 127 A CB -0.384 18.559 19.000 -0.095 0.000 0.800 127 A HN 0.510 nan 8.150 nan 0.000 0.453 128 H N -0.625 118.453 119.070 0.013 0.000 2.469 128 H HA 0.128 4.693 4.556 0.015 0.000 0.286 128 H C -0.198 175.125 175.328 -0.008 0.000 1.106 128 H CA -0.169 55.878 56.048 -0.002 0.000 1.055 128 H CB 0.005 29.765 29.762 -0.004 0.000 1.618 128 H HN 0.486 nan 8.280 nan 0.000 0.559 129 N N 1.079 119.822 118.700 0.071 0.000 2.721 129 N HA -0.191 4.557 4.740 0.014 0.000 0.249 129 N C -0.345 175.174 175.510 0.015 0.000 1.072 129 N CA 0.697 53.758 53.050 0.018 0.000 0.710 129 N CB -1.299 37.175 38.487 -0.021 0.000 0.993 129 N HN 0.492 nan 8.380 nan 0.000 0.547 130 I N 0.702 121.313 120.570 0.068 0.000 2.378 130 I HA 0.201 4.379 4.170 0.014 0.000 0.291 130 I C 0.623 176.814 176.117 0.124 0.000 0.992 130 I CA -0.569 60.767 61.300 0.061 0.000 1.154 130 I CB 1.515 39.548 38.000 0.055 0.000 1.315 130 I HN -0.190 nan 8.210 nan 0.000 0.448 131 K N 4.382 124.832 120.400 0.083 0.000 2.118 131 K HA 0.593 4.921 4.320 0.014 0.000 0.264 131 K C -0.986 175.763 176.600 0.247 0.000 1.000 131 K CA -0.571 55.811 56.287 0.157 0.000 0.929 131 K CB 1.780 34.262 32.500 -0.028 0.000 1.021 131 K HN 0.275 nan 8.250 nan 0.000 0.463 132 V N 4.065 124.146 119.914 0.279 0.000 2.444 132 V HA 0.379 4.507 4.120 0.014 0.000 0.294 132 V C -0.352 175.906 176.094 0.273 0.000 1.022 132 V CA -0.749 61.671 62.300 0.199 0.000 0.850 132 V CB 1.208 33.039 31.823 0.014 0.000 0.992 132 V HN 0.600 nan 8.190 nan 0.000 0.426 133 I N 5.991 126.733 120.570 0.287 0.000 2.412 133 I HA 0.571 4.749 4.170 0.014 0.000 0.296 133 I C -0.243 176.002 176.117 0.213 0.000 0.987 133 I CA -0.640 60.798 61.300 0.230 0.000 1.180 133 I CB 1.829 39.964 38.000 0.224 0.000 1.340 133 I HN 0.613 nan 8.210 nan 0.000 0.455 134 I N 1.091 121.738 120.570 0.129 0.000 2.530 134 I HA 0.549 4.727 4.170 0.014 0.000 0.297 134 I C -0.678 175.488 176.117 0.081 0.000 1.011 134 I CA -0.896 60.481 61.300 0.128 0.000 1.107 134 I CB 1.504 39.531 38.000 0.044 0.000 1.285 134 I HN 0.297 nan 8.210 nan 0.000 0.436 135 D N 4.009 124.504 120.400 0.158 0.000 2.423 135 D HA 0.275 4.923 4.640 0.014 0.000 0.238 135 D C -1.250 175.166 176.300 0.194 0.000 1.142 135 D CA 0.828 54.921 54.000 0.155 0.000 0.884 135 D CB 1.115 42.027 40.800 0.186 0.000 1.199 135 D HN 0.520 nan 8.370 nan 0.000 0.438 136 F N 0.321 120.286 119.950 0.025 0.000 2.573 136 F HA 0.464 4.999 4.527 0.013 0.000 0.316 136 F C -0.930 174.946 175.800 0.125 0.000 1.148 136 F CA -0.712 57.336 58.000 0.079 0.000 0.940 136 F CB 1.484 40.544 39.000 0.099 0.000 1.214 136 F HN 0.306 nan 8.300 nan 0.000 0.448 137 A N 7.193 129.896 122.820 -0.196 0.000 3.064 137 A HA 0.442 4.770 4.320 0.014 0.000 0.339 137 A C -2.386 175.048 177.584 -0.250 0.000 1.078 137 A CA -1.198 50.761 52.037 -0.131 0.000 0.869 137 A CB -0.321 18.662 19.000 -0.028 0.000 1.067 137 A HN 0.463 nan 8.150 nan 0.000 0.480 138 P HA -0.026 nan 4.420 nan 0.000 0.249 138 P C 0.597 177.816 177.300 -0.136 0.000 1.241 138 P CA 0.534 63.445 63.100 -0.314 0.000 0.781 138 P CB 0.108 31.686 31.700 -0.202 0.000 1.088 139 N N 0.716 119.333 118.700 -0.140 0.000 2.376 139 N HA -0.082 4.666 4.740 0.014 0.000 0.177 139 N C 0.633 176.164 175.510 0.035 0.000 1.024 139 N CA 0.389 53.448 53.050 0.015 0.000 0.893 139 N CB -0.000 38.547 38.487 0.101 0.000 0.980 139 N HN 0.294 nan 8.380 nan 0.000 0.439 140 H N -4.736 114.388 119.070 0.089 0.000 2.981 140 H HA 0.255 4.819 4.556 0.013 0.000 0.327 140 H C -0.205 175.259 175.328 0.226 0.000 1.342 140 H CA -0.144 55.969 56.048 0.109 0.000 1.123 140 H CB 0.819 30.625 29.762 0.074 0.000 1.851 140 H HN 0.025 nan 8.280 nan 0.000 0.531 141 T N -0.741 114.051 114.554 0.397 0.000 3.535 141 T HA 0.308 4.667 4.350 0.014 0.000 0.223 141 T C 0.698 175.593 174.700 0.325 0.000 0.933 141 T CA 0.862 63.174 62.100 0.353 0.000 1.445 141 T CB -0.463 68.615 68.868 0.351 0.000 1.286 141 T HN 0.857 nan 8.240 nan 0.000 0.436 142 S N 0.489 116.252 115.700 0.105 0.000 2.643 142 S HA 0.605 5.083 4.470 0.014 0.000 0.270 142 S C -3.407 170.998 174.600 -0.325 0.000 1.166 142 S CA -1.537 56.590 58.200 -0.122 0.000 0.815 142 S CB 0.914 64.065 63.200 -0.081 0.000 1.139 142 S HN 0.187 nan 8.310 nan 0.000 0.472 143 P HA 0.374 nan 4.420 nan 0.000 0.260 143 P C -0.940 176.293 177.300 -0.112 0.000 1.172 143 P CA 0.638 63.574 63.100 -0.274 0.000 0.760 143 P CB 0.144 31.644 31.700 -0.333 0.000 0.773 144 A N 2.667 125.482 122.820 -0.010 0.000 2.572 144 A HA 0.684 5.012 4.320 0.014 0.000 0.295 144 A C -0.921 176.709 177.584 0.077 0.000 1.072 144 A CA -0.479 51.557 52.037 -0.002 0.000 0.691 144 A CB 1.667 20.419 19.000 -0.412 0.000 1.291 144 A HN 0.317 nan 8.150 nan 0.000 0.404 145 S N 0.240 116.082 115.700 0.237 0.000 2.707 145 S HA 0.461 4.939 4.470 0.014 0.000 0.303 145 S C 1.079 175.815 174.600 0.227 0.000 1.132 145 S CA 0.176 58.460 58.200 0.139 0.000 1.046 145 S CB 1.003 64.185 63.200 -0.030 0.000 1.004 145 S HN 1.662 nan 8.310 nan 0.000 0.483 146 S N 3.310 119.178 115.700 0.281 0.000 2.423 146 S HA -0.092 4.386 4.470 0.014 0.000 0.231 146 S C 1.071 175.666 174.600 -0.008 0.000 1.014 146 S CA 0.956 59.184 58.200 0.046 0.000 0.965 146 S CB -0.321 62.746 63.200 -0.223 0.000 0.785 146 S HN 0.747 nan 8.310 nan 0.000 0.495 147 D N 1.857 122.260 120.400 0.005 0.000 2.144 147 D HA 0.004 4.652 4.640 0.014 0.000 0.200 147 D C 0.164 176.461 176.300 -0.004 0.000 0.978 147 D CA 1.191 55.181 54.000 -0.017 0.000 0.833 147 D CB -0.247 40.538 40.800 -0.025 0.000 0.961 147 D HN 0.469 nan 8.370 nan 0.000 0.470 148 D N -0.588 119.826 120.400 0.022 0.000 2.458 148 D HA 0.161 4.810 4.640 0.014 0.000 0.258 148 D C -2.027 174.324 176.300 0.085 0.000 1.134 148 D CA -2.236 51.791 54.000 0.044 0.000 0.915 148 D CB 1.544 42.369 40.800 0.040 0.000 1.028 148 D HN -0.170 nan 8.370 nan 0.000 0.508 149 P HA -0.121 nan 4.420 nan 0.000 0.223 149 P C 1.054 178.383 177.300 0.048 0.000 1.144 149 P CA 0.814 63.941 63.100 0.045 0.000 0.783 149 P CB 0.151 31.860 31.700 0.014 0.000 0.771 150 S N -2.069 113.667 115.700 0.060 0.000 2.528 150 S HA 0.004 4.482 4.470 0.014 0.000 0.219 150 S C 0.495 175.122 174.600 0.046 0.000 0.985 150 S CA -0.539 57.685 58.200 0.041 0.000 0.914 150 S CB -1.264 61.957 63.200 0.036 0.000 0.776 150 S HN 0.074 nan 8.310 nan 0.000 0.526 151 F N 3.727 123.649 119.950 -0.046 0.000 2.543 151 F HA 0.450 4.985 4.527 0.013 0.000 0.375 151 F C 1.029 176.776 175.800 -0.089 0.000 1.075 151 F CA 0.075 58.031 58.000 -0.073 0.000 1.225 151 F CB -0.072 38.883 39.000 -0.074 0.000 1.099 151 F HN 0.534 nan 8.300 nan 0.000 0.561 152 A N 4.724 126.954 122.820 -0.984 0.000 5.483 152 A HA -0.359 3.969 4.320 0.014 0.000 0.309 152 A C 0.888 178.266 177.584 -0.343 0.000 1.898 152 A CA 1.469 53.051 52.037 -0.758 0.000 0.716 152 A CB -1.366 16.974 19.000 -1.100 0.000 1.309 152 A HN 0.839 nan 8.150 nan 0.000 0.380 153 E N 1.100 121.161 120.200 -0.232 0.000 2.585 153 E HA 0.243 4.601 4.350 0.014 0.000 0.206 153 E C 0.324 176.892 176.600 -0.053 0.000 1.007 153 E CA 0.343 56.700 56.400 -0.072 0.000 1.028 153 E CB -0.091 29.623 29.700 0.023 0.000 1.087 153 E HN 0.653 nan 8.360 nan 0.000 0.455 154 N N 0.925 119.568 118.700 -0.095 0.000 2.710 154 N HA -0.236 4.513 4.740 0.014 0.000 0.249 154 N C 0.666 176.119 175.510 -0.095 0.000 1.059 154 N CA 0.420 53.444 53.050 -0.043 0.000 0.720 154 N CB -0.858 37.629 38.487 -0.000 0.000 0.983 154 N HN 0.587 nan 8.380 nan 0.000 0.544 155 G N 0.259 108.972 108.800 -0.145 0.000 2.296 155 G HA2 -0.366 3.602 3.960 0.014 0.000 0.282 155 G HA3 -0.366 3.602 3.960 0.014 0.000 0.282 155 G C 0.296 175.194 174.900 -0.003 0.000 1.014 155 G CA 0.879 45.884 45.100 -0.159 0.000 0.812 155 G HN 0.676 nan 8.290 nan 0.000 0.508 156 R N -1.137 119.393 120.500 0.051 0.000 2.640 156 R HA 0.355 4.703 4.340 0.014 0.000 0.270 156 R C 0.130 176.517 176.300 0.146 0.000 1.024 156 R CA -0.257 55.889 56.100 0.077 0.000 1.085 156 R CB 0.491 30.798 30.300 0.012 0.000 0.963 156 R HN 0.249 nan 8.270 nan 0.000 0.426 157 L N 4.078 125.330 121.223 0.049 0.000 2.333 157 L HA 0.386 4.734 4.340 0.014 0.000 0.280 157 L C -1.484 175.275 176.870 -0.186 0.000 1.004 157 L CA -0.425 54.452 54.840 0.062 0.000 0.820 157 L CB 1.085 43.155 42.059 0.017 0.000 1.247 157 L HN 0.436 nan 8.230 nan 0.000 0.416 158 Y N 2.000 122.341 120.300 0.069 0.000 2.549 158 Y HA 0.512 5.071 4.550 0.014 0.000 0.339 158 Y C -0.385 175.573 175.900 0.097 0.000 1.053 158 Y CA -0.717 57.422 58.100 0.065 0.000 1.105 158 Y CB 1.725 40.249 38.460 0.107 0.000 1.258 158 Y HN 0.516 nan 8.280 nan 0.000 0.478 159 D N 2.033 122.592 120.400 0.264 0.000 2.446 159 D HA 0.127 4.776 4.640 0.014 0.000 0.251 159 D C -0.499 175.986 176.300 0.308 0.000 1.137 159 D CA -0.351 53.856 54.000 0.346 0.000 0.890 159 D CB 0.015 40.930 40.800 0.191 0.000 1.071 159 D HN 0.561 nan 8.370 nan 0.000 0.528 160 N N 3.298 122.189 118.700 0.318 0.000 2.699 160 N HA -0.251 4.498 4.740 0.014 0.000 0.256 160 N C 0.985 176.596 175.510 0.168 0.000 0.993 160 N CA 1.763 54.936 53.050 0.205 0.000 0.759 160 N CB -0.988 37.589 38.487 0.150 0.000 0.906 160 N HN 0.882 nan 8.380 nan 0.000 0.541 161 G N -1.161 107.758 108.800 0.199 0.000 2.279 161 G HA2 -0.288 3.680 3.960 0.014 0.000 0.223 161 G HA3 -0.288 3.680 3.960 0.014 0.000 0.223 161 G C -0.061 175.020 174.900 0.302 0.000 1.015 161 G CA 0.122 45.316 45.100 0.158 0.000 0.621 161 G HN 0.523 nan 8.290 nan 0.000 0.506 162 N N 1.342 120.204 118.700 0.270 0.000 2.408 162 N HA 0.402 5.151 4.740 0.014 0.000 0.257 162 N C -0.066 175.541 175.510 0.163 0.000 1.064 162 N CA -0.272 52.902 53.050 0.206 0.000 0.952 162 N CB 1.957 40.513 38.487 0.116 0.000 1.093 162 N HN 0.376 nan 8.380 nan 0.000 0.490 163 L N 3.288 124.546 121.223 0.059 0.000 2.513 163 L HA 0.045 4.394 4.340 0.014 0.000 0.272 163 L C 0.976 177.723 176.870 -0.204 0.000 1.187 163 L CA 0.454 55.105 54.840 -0.315 0.000 0.895 163 L CB 0.218 42.101 42.059 -0.293 0.000 1.147 163 L HN 0.542 nan 8.230 nan 0.000 0.483 164 L N 4.462 125.526 121.223 -0.265 0.000 2.200 164 L HA 0.420 4.769 4.340 0.014 0.000 0.200 164 L C 1.061 177.843 176.870 -0.146 0.000 1.072 164 L CA 0.597 55.321 54.840 -0.193 0.000 0.787 164 L CB -0.421 41.478 42.059 -0.266 0.000 0.957 164 L HN 0.846 nan 8.230 nan 0.000 0.459 165 G N -1.429 107.295 108.800 -0.127 0.000 2.325 165 G HA2 0.420 4.388 3.960 0.014 0.000 0.297 165 G HA3 0.420 4.388 3.960 0.014 0.000 0.297 165 G C -1.361 173.616 174.900 0.127 0.000 1.448 165 G CA -0.178 44.922 45.100 -0.001 0.000 0.838 165 G HN 0.164 nan 8.290 nan 0.000 0.579 166 G N -1.695 107.179 108.800 0.125 0.000 2.932 166 G HA2 0.509 4.477 3.960 0.014 0.000 0.283 166 G HA3 0.509 4.477 3.960 0.014 0.000 0.283 166 G C 0.193 175.096 174.900 0.005 0.000 1.336 166 G CA -0.320 44.819 45.100 0.063 0.000 1.056 166 G HN 0.664 nan 8.290 nan 0.000 0.522 167 Y N 0.047 120.113 120.300 -0.391 0.000 2.314 167 Y HA 0.160 4.718 4.550 0.014 0.000 0.294 167 Y C 1.845 177.679 175.900 -0.110 0.000 1.119 167 Y CA 0.930 58.760 58.100 -0.450 0.000 1.179 167 Y CB -0.041 38.099 38.460 -0.534 0.000 1.025 167 Y HN 0.308 nan 8.280 nan 0.000 0.541 168 T N 1.849 116.355 114.554 -0.080 0.000 2.884 168 T HA 0.079 4.437 4.350 0.014 0.000 0.298 168 T C 0.052 174.683 174.700 -0.116 0.000 0.998 168 T CA 0.086 62.113 62.100 -0.121 0.000 1.124 168 T CB 0.276 69.114 68.868 -0.050 0.000 0.931 168 T HN 0.396 nan 8.240 nan 0.000 0.531 169 N N 1.488 120.092 118.700 -0.160 0.000 2.738 169 N HA -0.160 4.588 4.740 0.014 0.000 0.249 169 N C -0.959 174.495 175.510 -0.093 0.000 1.047 169 N CA 0.324 53.300 53.050 -0.124 0.000 0.707 169 N CB -0.606 37.834 38.487 -0.077 0.000 0.937 169 N HN 0.646 nan 8.380 nan 0.000 0.545 170 D N -0.829 119.497 120.400 -0.124 0.000 2.558 170 D HA 0.229 4.877 4.640 0.014 0.000 0.221 170 D C 0.957 177.224 176.300 -0.055 0.000 1.143 170 D CA 0.029 54.023 54.000 -0.011 0.000 1.010 170 D CB 0.116 41.003 40.800 0.145 0.000 1.068 170 D HN 0.250 nan 8.370 nan 0.000 0.511 171 T N 1.307 115.828 114.554 -0.054 0.000 2.867 171 T HA -0.159 4.199 4.350 0.014 0.000 0.268 171 T C 1.614 176.291 174.700 -0.038 0.000 1.057 171 T CA 1.052 63.118 62.100 -0.057 0.000 1.136 171 T CB 0.046 68.885 68.868 -0.050 0.000 0.874 171 T HN 0.452 nan 8.240 nan 0.000 0.466 172 Q N 0.478 120.263 119.800 -0.024 0.000 2.435 172 Q HA 0.082 4.431 4.340 0.014 0.000 0.207 172 Q C 0.247 176.229 176.000 -0.031 0.000 0.956 172 Q CA -0.058 55.727 55.803 -0.031 0.000 0.917 172 Q CB -0.114 28.596 28.738 -0.047 0.000 0.997 172 Q HN 0.455 nan 8.270 nan 0.000 0.497 173 N N -0.131 118.570 118.700 0.001 0.000 2.738 173 N HA -0.185 4.563 4.740 0.014 0.000 0.249 173 N C 0.174 175.639 175.510 -0.075 0.000 1.047 173 N CA 0.046 53.109 53.050 0.021 0.000 0.707 173 N CB -0.920 37.570 38.487 0.006 0.000 0.937 173 N HN 0.262 nan 8.380 nan 0.000 0.545 174 L N -1.611 119.531 121.223 -0.136 0.000 2.275 174 L HA 0.022 4.370 4.340 0.014 0.000 0.215 174 L C 0.486 176.938 176.870 -0.698 0.000 1.119 174 L CA 0.950 55.513 54.840 -0.463 0.000 0.790 174 L CB -0.169 41.487 42.059 -0.670 0.000 0.919 174 L HN 0.183 nan 8.230 nan 0.000 0.443 175 F N -2.620 117.227 119.950 -0.172 0.000 2.618 175 F HA 0.384 4.920 4.527 0.013 0.000 0.332 175 F C 0.307 175.841 175.800 -0.442 0.000 1.061 175 F CA -0.981 56.842 58.000 -0.295 0.000 0.974 175 F CB 0.862 39.809 39.000 -0.088 0.000 1.310 175 F HN -0.233 nan 8.300 nan 0.000 0.491 176 H N -0.954 118.049 119.070 -0.112 0.000 2.502 176 H HA 0.332 4.896 4.556 0.014 0.000 0.327 176 H C -1.058 173.929 175.328 -0.569 0.000 1.099 176 H CA -0.392 55.503 56.048 -0.254 0.000 1.323 176 H CB 0.645 30.449 29.762 0.069 0.000 1.450 176 H HN 0.523 nan 8.280 nan 0.000 0.502 177 H N 3.340 122.212 119.070 -0.331 0.000 2.386 177 H HA 0.115 4.679 4.556 0.014 0.000 0.232 177 H C -0.749 174.330 175.328 -0.415 0.000 1.416 177 H CA -0.082 55.782 56.048 -0.306 0.000 1.285 177 H CB 0.064 29.605 29.762 -0.369 0.000 1.625 177 H HN 0.677 nan 8.280 nan 0.000 0.521 178 Y N 0.128 120.478 120.300 0.084 0.000 2.531 178 Y HA 0.359 4.918 4.550 0.013 0.000 0.249 178 Y C 1.522 177.420 175.900 -0.003 0.000 1.168 178 Y CA 0.203 58.308 58.100 0.008 0.000 1.226 178 Y CB 0.766 39.198 38.460 -0.047 0.000 1.177 178 Y HN 0.654 nan 8.280 nan 0.000 0.527 179 G N -0.022 108.849 108.800 0.117 0.000 2.698 179 G HA2 0.059 4.027 3.960 0.014 0.000 0.225 179 G HA3 0.059 4.027 3.960 0.014 0.000 0.225 179 G C 0.099 175.009 174.900 0.016 0.000 1.345 179 G CA -0.667 44.468 45.100 0.059 0.000 0.871 179 G HN 0.588 nan 8.290 nan 0.000 0.540 180 G N -1.159 107.612 108.800 -0.048 0.000 2.412 180 G HA2 0.699 4.667 3.960 0.014 0.000 0.318 180 G HA3 0.699 4.667 3.960 0.014 0.000 0.318 180 G C 0.239 175.015 174.900 -0.208 0.000 1.146 180 G CA 0.933 45.953 45.100 -0.133 0.000 0.882 180 G HN 1.363 nan 8.290 nan 0.000 0.501 181 T N -0.795 113.534 114.554 -0.376 0.000 2.907 181 T HA 0.249 4.607 4.350 0.014 0.000 0.298 181 T C 0.897 175.244 174.700 -0.589 0.000 1.017 181 T CA 0.032 61.822 62.100 -0.517 0.000 1.118 181 T CB 0.805 69.211 68.868 -0.770 0.000 0.948 181 T HN 0.571 nan 8.240 nan 0.000 0.531 182 D N 2.590 122.758 120.400 -0.386 0.000 2.369 182 D HA 0.065 4.713 4.640 0.014 0.000 0.211 182 D C 0.602 176.869 176.300 -0.056 0.000 1.077 182 D CA -0.283 53.603 54.000 -0.191 0.000 0.842 182 D CB -0.653 40.105 40.800 -0.071 0.000 0.947 182 D HN 0.666 nan 8.370 nan 0.000 0.509 183 F N 0.368 120.272 119.950 -0.078 0.000 3.057 183 F HA -0.310 4.226 4.527 0.015 0.000 0.287 183 F C 1.799 177.573 175.800 -0.042 0.000 0.834 183 F CA 0.561 58.526 58.000 -0.059 0.000 1.147 183 F CB -2.481 36.485 39.000 -0.057 0.000 1.245 183 F HN 0.131 nan 8.300 nan 0.000 0.509 184 S N -1.524 114.211 115.700 0.058 0.000 2.371 184 S HA 0.019 4.497 4.470 0.014 0.000 0.224 184 S C 1.030 175.647 174.600 0.028 0.000 1.029 184 S CA 1.211 59.434 58.200 0.038 0.000 0.978 184 S CB -0.093 63.104 63.200 -0.005 0.000 0.833 184 S HN 0.603 nan 8.310 nan 0.000 0.466 185 T N -2.212 112.340 114.554 -0.003 0.000 2.864 185 T HA 0.668 5.027 4.350 0.014 0.000 0.289 185 T C 0.869 175.551 174.700 -0.030 0.000 1.082 185 T CA -0.853 61.239 62.100 -0.013 0.000 1.009 185 T CB 0.944 69.781 68.868 -0.052 0.000 1.234 185 T HN 0.021 nan 8.240 nan 0.000 0.526 186 I N 0.454 121.007 120.570 -0.027 0.000 2.286 186 I HA -0.043 4.136 4.170 0.014 0.000 0.245 186 I C 2.854 178.869 176.117 -0.171 0.000 1.104 186 I CA 1.301 62.562 61.300 -0.065 0.000 1.397 186 I CB -0.239 37.788 38.000 0.046 0.000 1.072 186 I HN 0.915 nan 8.210 nan 0.000 0.417 187 E N 1.348 121.346 120.200 -0.336 0.000 2.070 187 E HA -0.327 4.031 4.350 0.014 0.000 0.197 187 E C 2.073 178.535 176.600 -0.229 0.000 1.004 187 E CA 1.719 57.765 56.400 -0.590 0.000 0.805 187 E CB -0.202 28.977 29.700 -0.869 0.000 0.744 187 E HN 0.404 nan 8.360 nan 0.000 0.451 188 N N 0.092 118.686 118.700 -0.177 0.000 2.069 188 N HA -0.146 4.603 4.740 0.014 0.000 0.191 188 N C 1.965 177.386 175.510 -0.148 0.000 1.031 188 N CA 1.688 54.656 53.050 -0.138 0.000 0.852 188 N CB -0.455 37.955 38.487 -0.128 0.000 1.018 188 N HN 0.265 nan 8.380 nan 0.000 0.423 189 G N 0.553 109.278 108.800 -0.124 0.000 2.509 189 G HA2 -0.072 3.896 3.960 0.014 0.000 0.218 189 G HA3 -0.072 3.896 3.960 0.014 0.000 0.218 189 G C 1.738 176.657 174.900 0.032 0.000 1.124 189 G CA 0.197 45.273 45.100 -0.040 0.000 0.776 189 G HN 0.339 nan 8.290 nan 0.000 0.547 190 I N -1.307 119.183 120.570 -0.132 0.000 2.385 190 I HA 0.029 4.207 4.170 0.014 0.000 0.244 190 I C 1.918 177.821 176.117 -0.355 0.000 1.089 190 I CA 0.695 61.828 61.300 -0.278 0.000 1.410 190 I CB 0.040 37.748 38.000 -0.487 0.000 1.117 190 I HN 0.099 nan 8.210 nan 0.000 0.429 191 Y N 0.943 121.185 120.300 -0.098 0.000 2.500 191 Y HA 0.186 4.745 4.550 0.014 0.000 0.270 191 Y C 0.959 176.792 175.900 -0.110 0.000 1.134 191 Y CA 0.074 58.032 58.100 -0.238 0.000 1.293 191 Y CB -0.042 38.174 38.460 -0.407 0.000 1.063 191 Y HN -0.060 nan 8.280 nan 0.000 0.534 192 K N 0.591 121.007 120.400 0.027 0.000 2.106 192 K HA 0.220 4.549 4.320 0.014 0.000 0.246 192 K C -0.474 176.101 176.600 -0.042 0.000 0.987 192 K CA -1.061 55.247 56.287 0.035 0.000 0.904 192 K CB 0.532 32.995 32.500 -0.061 0.000 1.071 192 K HN -0.100 nan 8.250 nan 0.000 0.453 193 N N 1.487 120.154 118.700 -0.054 0.000 2.492 193 N HA 0.030 4.778 4.740 0.014 0.000 0.262 193 N C -0.507 174.823 175.510 -0.300 0.000 1.202 193 N CA 0.056 53.029 53.050 -0.130 0.000 0.926 193 N CB 0.313 38.724 38.487 -0.126 0.000 1.078 193 N HN 0.375 nan 8.380 nan 0.000 0.454 194 L N 4.732 125.743 121.223 -0.354 0.000 2.407 194 L HA 0.053 4.401 4.340 0.014 0.000 0.282 194 L C 0.040 176.641 176.870 -0.448 0.000 1.110 194 L CA 0.025 54.507 54.840 -0.597 0.000 0.863 194 L CB -0.466 41.277 42.059 -0.526 0.000 1.207 194 L HN 0.586 nan 8.230 nan 0.000 0.454 195 Y N 1.578 121.766 120.300 -0.188 0.000 2.851 195 Y HA -0.434 4.125 4.550 0.014 0.000 0.469 195 Y C 1.379 177.183 175.900 -0.160 0.000 1.167 195 Y CA 1.321 59.336 58.100 -0.142 0.000 2.635 195 Y CB -1.072 37.319 38.460 -0.115 0.000 1.196 195 Y HN 0.799 nan 8.280 nan 0.000 0.625 196 D N 0.923 121.338 120.400 0.025 0.000 2.462 196 D HA 0.236 4.884 4.640 0.014 0.000 0.221 196 D C -0.355 175.847 176.300 -0.163 0.000 1.173 196 D CA 0.078 54.035 54.000 -0.073 0.000 0.831 196 D CB -0.616 40.176 40.800 -0.014 0.000 1.001 196 D HN 0.415 nan 8.370 nan 0.000 0.499 197 L N 1.316 122.426 121.223 -0.188 0.000 2.313 197 L HA 0.424 4.773 4.340 0.014 0.000 0.282 197 L C 0.752 177.458 176.870 -0.273 0.000 1.092 197 L CA -0.922 53.766 54.840 -0.253 0.000 0.831 197 L CB 1.037 42.877 42.059 -0.364 0.000 1.159 197 L HN -0.004 nan 8.230 nan 0.000 0.442 198 A N 2.761 125.352 122.820 -0.382 0.000 2.526 198 A HA -0.014 4.314 4.320 0.014 0.000 0.267 198 A C 0.019 177.584 177.584 -0.030 0.000 1.095 198 A CA -0.167 51.529 52.037 -0.568 0.000 0.775 198 A CB -0.394 18.134 19.000 -0.786 0.000 1.036 198 A HN 0.742 nan 8.150 nan 0.000 0.510 199 D N 2.739 123.140 120.400 0.002 0.000 2.339 199 D HA 0.341 4.989 4.640 0.014 0.000 0.256 199 D C 0.156 176.455 176.300 -0.002 0.000 1.214 199 D CA 0.175 54.224 54.000 0.082 0.000 0.877 199 D CB 0.262 41.141 40.800 0.131 0.000 1.111 199 D HN 0.489 nan 8.370 nan 0.000 0.478 200 L N 3.448 124.578 121.223 -0.155 0.000 2.461 200 L HA 0.121 4.469 4.340 0.014 0.000 0.272 200 L C 0.692 177.033 176.870 -0.882 0.000 1.197 200 L CA -0.221 54.286 54.840 -0.555 0.000 0.836 200 L CB 0.377 42.045 42.059 -0.651 0.000 1.105 200 L HN 0.434 nan 8.230 nan 0.000 0.477 201 N N 0.658 118.819 118.700 -0.899 0.000 2.589 201 N HA 0.136 4.884 4.740 0.014 0.000 0.232 201 N C 0.394 175.552 175.510 -0.587 0.000 1.015 201 N CA -0.288 52.305 53.050 -0.762 0.000 0.931 201 N CB 0.373 38.551 38.487 -0.514 0.000 1.150 201 N HN 0.421 nan 8.380 nan 0.000 0.512 202 H N 0.994 119.819 119.070 -0.409 0.000 2.559 202 H HA 0.031 4.595 4.556 0.014 0.000 0.273 202 H C 1.125 176.328 175.328 -0.209 0.000 1.000 202 H CA 0.560 56.256 56.048 -0.587 0.000 1.195 202 H CB 0.254 29.240 29.762 -1.293 0.000 1.368 202 H HN 0.516 nan 8.280 nan 0.000 0.592 203 N N 0.591 119.318 118.700 0.046 0.000 2.463 203 N HA -0.110 4.638 4.740 0.014 0.000 0.181 203 N C 0.142 175.687 175.510 0.058 0.000 1.078 203 N CA -0.003 53.123 53.050 0.126 0.000 0.902 203 N CB 0.101 38.701 38.487 0.189 0.000 0.970 203 N HN 0.162 nan 8.380 nan 0.000 0.451 204 N N 0.260 118.943 118.700 -0.029 0.000 2.430 204 N HA 0.037 4.785 4.740 0.014 0.000 0.265 204 N C 0.229 175.734 175.510 -0.008 0.000 1.100 204 N CA 0.167 53.193 53.050 -0.041 0.000 0.961 204 N CB 1.026 39.438 38.487 -0.126 0.000 1.075 204 N HN 0.048 nan 8.380 nan 0.000 0.478 205 S N 2.381 118.102 115.700 0.034 0.000 2.387 205 S HA -0.149 4.329 4.470 0.014 0.000 0.230 205 S C 1.841 176.473 174.600 0.053 0.000 1.035 205 S CA 1.339 59.578 58.200 0.065 0.000 1.014 205 S CB -0.051 63.188 63.200 0.065 0.000 0.836 205 S HN 0.676 nan 8.310 nan 0.000 0.466 206 S N 1.126 116.831 115.700 0.009 0.000 2.370 206 S HA -0.074 4.404 4.470 0.014 0.000 0.226 206 S C 2.021 176.627 174.600 0.009 0.000 1.033 206 S CA 1.249 59.449 58.200 -0.000 0.000 1.011 206 S CB -0.428 62.736 63.200 -0.060 0.000 0.852 206 S HN 0.368 nan 8.310 nan 0.000 0.457 207 V N 1.978 121.851 119.914 -0.069 0.000 2.323 207 V HA -0.161 3.967 4.120 0.014 0.000 0.244 207 V C 2.265 178.392 176.094 0.055 0.000 1.041 207 V CA 1.996 64.234 62.300 -0.103 0.000 1.025 207 V CB -0.791 30.837 31.823 -0.325 0.000 0.656 207 V HN 0.464 nan 8.190 nan 0.000 0.451 208 D N 0.427 120.882 120.400 0.093 0.000 2.103 208 D HA -0.190 4.458 4.640 0.014 0.000 0.190 208 D C 1.963 178.462 176.300 0.332 0.000 0.997 208 D CA 2.055 56.243 54.000 0.315 0.000 0.833 208 D CB -0.169 40.825 40.800 0.323 0.000 0.961 208 D HN 0.182 nan 8.370 nan 0.000 0.447 209 V N -0.246 119.803 119.914 0.225 0.000 2.427 209 V HA -0.201 3.927 4.120 0.014 0.000 0.248 209 V C 2.117 178.329 176.094 0.195 0.000 1.051 209 V CA 1.809 64.219 62.300 0.183 0.000 1.048 209 V CB -0.930 30.971 31.823 0.131 0.000 0.666 209 V HN 0.355 nan 8.190 nan 0.000 0.456 210 Y N 0.640 120.989 120.300 0.082 0.000 2.145 210 Y HA -0.205 4.353 4.550 0.014 0.000 0.286 210 Y C 2.184 178.157 175.900 0.123 0.000 1.145 210 Y CA 1.703 59.850 58.100 0.078 0.000 1.148 210 Y CB -0.255 38.224 38.460 0.032 0.000 0.981 210 Y HN 0.143 nan 8.280 nan 0.000 0.507 211 L N 0.076 121.375 121.223 0.126 0.000 2.093 211 L HA -0.201 4.148 4.340 0.014 0.000 0.208 211 L C 2.373 179.413 176.870 0.284 0.000 1.085 211 L CA 1.587 56.497 54.840 0.115 0.000 0.755 211 L CB -0.440 41.777 42.059 0.264 0.000 0.904 211 L HN 0.173 nan 8.230 nan 0.000 0.435 212 K N -0.369 120.208 120.400 0.295 0.000 2.103 212 K HA -0.124 4.204 4.320 0.014 0.000 0.204 212 K C 1.660 178.265 176.600 0.008 0.000 1.052 212 K CA 1.104 57.507 56.287 0.193 0.000 0.945 212 K CB -0.057 32.539 32.500 0.160 0.000 0.722 212 K HN 0.203 nan 8.250 nan 0.000 0.443 213 D N 0.888 121.278 120.400 -0.017 0.000 2.117 213 D HA -0.120 4.529 4.640 0.014 0.000 0.197 213 D C 1.838 178.079 176.300 -0.098 0.000 0.987 213 D CA 1.221 55.172 54.000 -0.082 0.000 0.829 213 D CB -0.151 40.619 40.800 -0.050 0.000 0.961 213 D HN 0.181 nan 8.370 nan 0.000 0.460 214 A N 0.693 123.453 122.820 -0.101 0.000 1.877 214 A HA -0.156 4.172 4.320 0.014 0.000 0.216 214 A C 2.234 179.900 177.584 0.137 0.000 1.186 214 A CA 0.963 53.012 52.037 0.021 0.000 0.620 214 A CB -0.645 18.419 19.000 0.108 0.000 0.822 214 A HN 0.199 nan 8.150 nan 0.000 0.443 215 I N -0.185 120.395 120.570 0.018 0.000 2.315 215 I HA -0.170 4.008 4.170 0.014 0.000 0.248 215 I C 2.156 178.228 176.117 -0.075 0.000 1.117 215 I CA 1.543 62.738 61.300 -0.175 0.000 1.404 215 I CB -0.248 37.547 38.000 -0.342 0.000 1.071 215 I HN 0.237 nan 8.210 nan 0.000 0.419 216 K N -0.384 119.939 120.400 -0.129 0.000 2.097 216 K HA -0.220 4.108 4.320 0.014 0.000 0.206 216 K C 2.166 178.743 176.600 -0.038 0.000 1.049 216 K CA 1.802 57.998 56.287 -0.151 0.000 0.933 216 K CB -0.330 31.883 32.500 -0.478 0.000 0.717 216 K HN 0.408 nan 8.250 nan 0.000 0.442 217 M N -0.329 119.210 119.600 -0.102 0.000 2.080 217 M HA -0.196 4.292 4.480 0.014 0.000 0.260 217 M C 1.440 177.624 176.300 -0.192 0.000 1.068 217 M CA 1.863 57.053 55.300 -0.184 0.000 1.109 217 M CB -0.170 32.232 32.600 -0.330 0.000 1.342 217 M HN 0.220 nan 8.290 nan 0.000 0.405 218 W N 0.432 121.722 121.300 -0.016 0.000 2.436 218 W HA -0.071 4.598 4.660 0.015 0.000 0.284 218 W C 2.010 178.564 176.519 0.060 0.000 1.225 218 W CA 0.504 57.852 57.345 0.004 0.000 1.271 218 W CB -0.360 29.071 29.460 -0.048 0.000 1.114 218 W HN 0.198 nan 8.180 nan 0.000 0.559 219 L N -0.146 121.210 121.223 0.221 0.000 2.093 219 L HA -0.203 4.146 4.340 0.014 0.000 0.208 219 L C 1.869 178.848 176.870 0.181 0.000 1.085 219 L CA 1.080 56.036 54.840 0.192 0.000 0.755 219 L CB -0.713 41.466 42.059 0.200 0.000 0.904 219 L HN -0.097 nan 8.230 nan 0.000 0.435 220 D N 0.218 120.719 120.400 0.169 0.000 2.178 220 D HA -0.112 4.537 4.640 0.014 0.000 0.202 220 D C 2.219 178.583 176.300 0.107 0.000 0.974 220 D CA 1.045 55.120 54.000 0.125 0.000 0.841 220 D CB -0.026 40.831 40.800 0.093 0.000 0.953 220 D HN 0.289 nan 8.370 nan 0.000 0.478 221 L N -0.534 120.769 121.223 0.134 0.000 2.622 221 L HA 0.084 4.433 4.340 0.014 0.000 0.233 221 L C 1.351 178.357 176.870 0.226 0.000 1.156 221 L CA 0.545 55.501 54.840 0.194 0.000 0.866 221 L CB -0.125 42.111 42.059 0.294 0.000 0.980 221 L HN 0.149 nan 8.230 nan 0.000 0.448 222 G N 0.195 109.122 108.800 0.211 0.000 2.134 222 G HA2 -0.228 3.740 3.960 0.014 0.000 0.209 222 G HA3 -0.228 3.740 3.960 0.014 0.000 0.209 222 G C 0.275 175.328 174.900 0.255 0.000 0.993 222 G CA 0.012 45.238 45.100 0.211 0.000 0.669 222 G HN 0.190 nan 8.290 nan 0.000 0.519 223 V N -2.156 117.925 119.914 0.278 0.000 2.924 223 V HA 0.562 4.690 4.120 0.014 0.000 0.305 223 V C 0.883 177.131 176.094 0.255 0.000 1.073 223 V CA 0.561 63.026 62.300 0.275 0.000 1.098 223 V CB 1.371 33.381 31.823 0.312 0.000 1.000 223 V HN 0.120 nan 8.190 nan 0.000 0.484 224 D N 2.355 122.936 120.400 0.301 0.000 2.389 224 D HA 0.316 4.964 4.640 0.014 0.000 0.206 224 D C 0.686 177.239 176.300 0.423 0.000 1.055 224 D CA 1.225 55.444 54.000 0.365 0.000 0.856 224 D CB 1.278 42.339 40.800 0.434 0.000 0.957 224 D HN 0.935 nan 8.370 nan 0.000 0.509 225 G N 0.357 109.319 108.800 0.270 0.000 2.646 225 G HA2 0.592 4.560 3.960 0.014 0.000 0.291 225 G HA3 0.592 4.560 3.960 0.014 0.000 0.291 225 G C -1.720 173.174 174.900 -0.010 0.000 1.445 225 G CA -0.636 44.522 45.100 0.096 0.000 0.814 225 G HN -0.003 nan 8.290 nan 0.000 0.495 226 I N 0.743 121.212 120.570 -0.169 0.000 2.512 226 I HA 0.435 4.613 4.170 0.014 0.000 0.287 226 I C -0.326 175.439 176.117 -0.587 0.000 1.069 226 I CA -0.869 60.288 61.300 -0.239 0.000 1.056 226 I CB 2.315 40.224 38.000 -0.153 0.000 1.229 226 I HN 0.228 nan 8.210 nan 0.000 0.429 227 R N 6.197 126.273 120.500 -0.708 0.000 2.215 227 R HA 0.479 4.827 4.340 0.014 0.000 0.336 227 R C -1.392 174.677 176.300 -0.384 0.000 0.996 227 R CA -0.527 54.903 56.100 -1.118 0.000 0.847 227 R CB 1.266 30.775 30.300 -1.319 0.000 1.127 227 R HN 0.414 nan 8.270 nan 0.000 0.465 228 V N 4.488 124.256 119.914 -0.244 0.000 2.461 228 V HA 0.046 4.174 4.120 0.014 0.000 0.275 228 V C 0.549 176.673 176.094 0.049 0.000 1.047 228 V CA -0.642 61.676 62.300 0.030 0.000 0.955 228 V CB 1.243 33.144 31.823 0.128 0.000 0.988 228 V HN 0.658 nan 8.190 nan 0.000 0.471 229 D N 4.177 124.638 120.400 0.101 0.000 2.345 229 D HA 0.450 5.098 4.640 0.014 0.000 0.247 229 D C 0.797 177.160 176.300 0.104 0.000 1.108 229 D CA 0.643 54.714 54.000 0.119 0.000 0.894 229 D CB 0.909 41.784 40.800 0.124 0.000 1.203 229 D HN 1.103 nan 8.370 nan 0.000 0.430 230 A N 2.435 125.330 122.820 0.126 0.000 2.640 230 A HA -0.177 4.151 4.320 0.014 0.000 0.300 230 A C 1.489 179.083 177.584 0.016 0.000 1.499 230 A CA 0.960 53.077 52.037 0.133 0.000 0.759 230 A CB -2.349 16.784 19.000 0.221 0.000 1.048 230 A HN 1.099 nan 8.150 nan 0.000 0.450 231 V N -1.943 117.941 119.914 -0.050 0.000 2.759 231 V HA -0.144 3.985 4.120 0.014 0.000 0.256 231 V C 1.894 177.737 176.094 -0.420 0.000 1.080 231 V CA 2.446 64.648 62.300 -0.164 0.000 1.101 231 V CB -0.639 31.060 31.823 -0.207 0.000 0.698 231 V HN 0.675 nan 8.190 nan 0.000 0.477 232 K N -0.744 119.252 120.400 -0.673 0.000 2.439 232 K HA -0.088 4.240 4.320 0.014 0.000 0.197 232 K C 1.279 177.329 176.600 -0.917 0.000 1.041 232 K CA 0.940 56.497 56.287 -1.216 0.000 0.970 232 K CB -0.082 31.407 32.500 -1.685 0.000 0.773 232 K HN 0.673 nan 8.250 nan 0.000 0.479 233 H N -0.774 118.139 119.070 -0.261 0.000 2.581 233 H HA 0.268 4.832 4.556 0.013 0.000 0.275 233 H C -0.341 174.906 175.328 -0.135 0.000 1.126 233 H CA 0.018 55.958 56.048 -0.181 0.000 1.097 233 H CB 0.277 29.967 29.762 -0.119 0.000 1.626 233 H HN 0.106 nan 8.280 nan 0.000 0.565 234 M N 0.646 120.207 119.600 -0.064 0.000 2.572 234 M HA 0.367 4.856 4.480 0.014 0.000 0.299 234 M C -2.690 173.615 176.300 0.009 0.000 1.205 234 M CA -1.905 53.370 55.300 -0.042 0.000 0.876 234 M CB 2.913 35.494 32.600 -0.032 0.000 1.728 234 M HN -0.206 nan 8.290 nan 0.000 0.458 235 P HA -0.003 nan 4.420 nan 0.000 0.265 235 P C 0.016 177.492 177.300 0.293 0.000 1.193 235 P CA 0.004 63.198 63.100 0.156 0.000 0.765 235 P CB 0.293 32.120 31.700 0.213 0.000 0.823 236 F N 4.142 124.220 119.950 0.213 0.000 2.126 236 F HA -0.138 4.397 4.527 0.013 0.000 0.299 236 F C 2.123 178.043 175.800 0.201 0.000 1.096 236 F CA 2.482 60.669 58.000 0.313 0.000 1.255 236 F CB -0.912 38.300 39.000 0.353 0.000 0.997 236 F HN 0.371 nan 8.300 nan 0.000 0.479 237 G N -0.896 108.149 108.800 0.408 0.000 2.422 237 G HA2 -0.349 3.619 3.960 0.014 0.000 0.218 237 G HA3 -0.349 3.619 3.960 0.014 0.000 0.218 237 G C 1.445 176.443 174.900 0.164 0.000 1.146 237 G CA 0.718 45.990 45.100 0.287 0.000 0.769 237 G HN 0.623 nan 8.290 nan 0.000 0.547 238 W N 1.202 122.546 121.300 0.073 0.000 2.409 238 W HA 0.002 4.670 4.660 0.013 0.000 0.299 238 W C 2.761 179.279 176.519 -0.002 0.000 1.203 238 W CA 1.467 58.833 57.345 0.034 0.000 1.298 238 W CB -0.050 29.395 29.460 -0.025 0.000 1.127 238 W HN 0.270 nan 8.180 nan 0.000 0.528 239 Q N 0.221 119.982 119.800 -0.066 0.000 2.170 239 Q HA -0.244 4.104 4.340 0.014 0.000 0.203 239 Q C 2.169 177.993 176.000 -0.294 0.000 0.976 239 Q CA 1.749 57.434 55.803 -0.196 0.000 0.858 239 Q CB -0.406 28.377 28.738 0.074 0.000 0.907 239 Q HN 0.330 nan 8.270 nan 0.000 0.433 240 K N 0.688 120.865 120.400 -0.372 0.000 2.097 240 K HA -0.130 4.198 4.320 0.014 0.000 0.205 240 K C 2.223 178.669 176.600 -0.256 0.000 1.050 240 K CA 1.496 57.562 56.287 -0.369 0.000 0.938 240 K CB 0.029 32.303 32.500 -0.377 0.000 0.718 240 K HN 0.191 nan 8.250 nan 0.000 0.442 241 S N -0.138 115.409 115.700 -0.256 0.000 2.428 241 S HA -0.125 4.353 4.470 0.014 0.000 0.230 241 S C 1.830 176.255 174.600 -0.291 0.000 1.014 241 S CA 0.433 58.499 58.200 -0.223 0.000 0.957 241 S CB -0.506 62.594 63.200 -0.166 0.000 0.784 241 S HN 0.407 nan 8.310 nan 0.000 0.499 242 F N 2.260 121.797 119.950 -0.688 0.000 2.146 242 F HA 0.135 4.669 4.527 0.013 0.000 0.298 242 F C 2.225 177.800 175.800 -0.376 0.000 1.096 242 F CA 1.184 58.792 58.000 -0.652 0.000 1.275 242 F CB -0.302 38.040 39.000 -1.097 0.000 1.008 242 F HN 0.082 nan 8.300 nan 0.000 0.480 243 M N 0.343 119.744 119.600 -0.331 0.000 2.229 243 M HA -0.061 4.427 4.480 0.014 0.000 0.264 243 M C 2.486 178.617 176.300 -0.282 0.000 1.063 243 M CA 1.431 56.529 55.300 -0.336 0.000 1.114 243 M CB -1.939 30.513 32.600 -0.247 0.000 1.387 243 M HN 0.313 nan 8.290 nan 0.000 0.420 244 A N -0.346 122.335 122.820 -0.230 0.000 1.969 244 A HA -0.113 4.215 4.320 0.014 0.000 0.218 244 A C 2.313 179.803 177.584 -0.158 0.000 1.169 244 A CA 2.028 53.968 52.037 -0.162 0.000 0.635 244 A CB -0.998 17.928 19.000 -0.123 0.000 0.810 244 A HN 0.456 nan 8.150 nan 0.000 0.445 245 T N 0.375 114.800 114.554 -0.214 0.000 2.708 245 T HA -0.106 4.253 4.350 0.014 0.000 0.266 245 T C 1.786 176.376 174.700 -0.183 0.000 1.037 245 T CA 1.610 63.593 62.100 -0.195 0.000 1.146 245 T CB -0.386 68.337 68.868 -0.242 0.000 0.865 245 T HN 0.439 nan 8.240 nan 0.000 0.435 246 I N 1.478 121.863 120.570 -0.308 0.000 2.163 246 I HA -0.163 4.015 4.170 0.014 0.000 0.240 246 I C 2.320 178.387 176.117 -0.082 0.000 1.081 246 I CA 1.003 62.174 61.300 -0.214 0.000 1.353 246 I CB -0.326 37.459 38.000 -0.359 0.000 1.054 246 I HN 0.140 nan 8.210 nan 0.000 0.407 247 N N 0.887 119.523 118.700 -0.107 0.000 2.309 247 N HA -0.119 4.629 4.740 0.014 0.000 0.182 247 N C 1.268 176.764 175.510 -0.022 0.000 1.018 247 N CA 0.960 53.977 53.050 -0.055 0.000 0.876 247 N CB -0.455 37.992 38.487 -0.067 0.000 0.972 247 N HN 0.334 nan 8.380 nan 0.000 0.434 248 N N -0.658 118.033 118.700 -0.014 0.000 2.398 248 N HA -0.014 4.734 4.740 0.014 0.000 0.188 248 N C 0.867 176.419 175.510 0.069 0.000 1.122 248 N CA 0.116 53.174 53.050 0.012 0.000 0.866 248 N CB 0.281 38.770 38.487 0.003 0.000 0.970 248 N HN 0.438 nan 8.380 nan 0.000 0.462 249 Y N 0.429 120.685 120.300 -0.072 0.000 2.624 249 Y HA 0.326 4.884 4.550 0.013 0.000 0.260 249 Y C -0.325 175.546 175.900 -0.048 0.000 1.090 249 Y CA 0.242 58.306 58.100 -0.061 0.000 1.347 249 Y CB 0.800 39.213 38.460 -0.079 0.000 1.349 249 Y HN -0.320 nan 8.280 nan 0.000 0.502 250 K N 2.415 122.706 120.400 -0.181 0.000 2.756 250 K HA 0.288 4.616 4.320 0.014 0.000 0.218 250 K C -2.941 173.624 176.600 -0.058 0.000 1.057 250 K CA -2.094 54.059 56.287 -0.223 0.000 1.056 250 K CB 1.713 34.044 32.500 -0.281 0.000 1.235 250 K HN 0.069 nan 8.250 nan 0.000 0.547 251 P HA 0.014 nan 4.420 nan 0.000 0.271 251 P C -0.310 177.014 177.300 0.040 0.000 1.226 251 P CA -0.212 62.888 63.100 -0.001 0.000 0.765 251 P CB 0.963 32.672 31.700 0.014 0.000 0.835 252 V N 1.258 121.204 119.914 0.053 0.000 3.040 252 V HA 0.497 4.625 4.120 0.014 0.000 0.312 252 V C -0.356 175.826 176.094 0.147 0.000 1.115 252 V CA -1.577 60.801 62.300 0.131 0.000 0.998 252 V CB 1.822 33.718 31.823 0.121 0.000 1.042 252 V HN 0.381 nan 8.190 nan 0.000 0.433 253 F N 2.187 122.159 119.950 0.037 0.000 2.571 253 F HA 0.450 4.984 4.527 0.013 0.000 0.390 253 F C 0.376 176.136 175.800 -0.067 0.000 1.043 253 F CA 0.936 58.899 58.000 -0.061 0.000 1.164 253 F CB 0.239 39.052 39.000 -0.311 0.000 1.049 253 F HN 0.771 nan 8.300 nan 0.000 0.552 254 T N 7.750 122.052 114.554 -0.419 0.000 2.861 254 T HA 0.582 4.940 4.350 0.014 0.000 0.287 254 T C -1.072 173.367 174.700 -0.435 0.000 1.003 254 T CA -0.388 61.473 62.100 -0.398 0.000 0.977 254 T CB 1.251 69.987 68.868 -0.221 0.000 0.996 254 T HN 0.474 nan 8.240 nan 0.000 0.448 255 F N -0.699 118.891 119.950 -0.599 0.000 2.613 255 F HA 0.888 5.422 4.527 0.012 0.000 0.310 255 F C -0.015 175.682 175.800 -0.172 0.000 1.085 255 F CA -1.269 56.478 58.000 -0.421 0.000 0.945 255 F CB 1.203 39.861 39.000 -0.569 0.000 1.298 255 F HN 0.754 nan 8.300 nan 0.000 0.455 256 G N 0.230 109.090 108.800 0.099 0.000 2.568 256 G HA2 0.526 4.495 3.960 0.014 0.000 0.313 256 G HA3 0.526 4.495 3.960 0.014 0.000 0.313 256 G C -2.055 172.984 174.900 0.230 0.000 1.227 256 G CA -0.896 44.270 45.100 0.111 0.000 0.979 256 G HN 0.918 nan 8.290 nan 0.000 0.486 257 E N 0.024 120.373 120.200 0.248 0.000 2.113 257 E HA 0.305 4.663 4.350 0.014 0.000 0.273 257 E C -1.462 175.362 176.600 0.373 0.000 0.924 257 E CA -0.921 55.722 56.400 0.406 0.000 0.764 257 E CB 1.201 31.155 29.700 0.424 0.000 1.104 257 E HN 0.439 nan 8.360 nan 0.000 0.406 258 W N 8.034 129.475 121.300 0.235 0.000 2.543 258 W HA 0.281 4.949 4.660 0.012 0.000 0.318 258 W C -1.875 174.699 176.519 0.092 0.000 1.002 258 W CA -1.522 55.901 57.345 0.131 0.000 1.302 258 W CB 0.520 30.052 29.460 0.120 0.000 1.299 258 W HN 0.515 nan 8.180 nan 0.000 0.424 259 F N 6.265 126.208 119.950 -0.012 0.000 2.529 259 F HA 0.359 4.893 4.527 0.012 0.000 0.365 259 F C -0.513 175.147 175.800 -0.234 0.000 1.102 259 F CA 0.653 58.334 58.000 -0.532 0.000 1.271 259 F CB 0.611 39.380 39.000 -0.386 0.000 1.120 259 F HN 0.175 nan 8.300 nan 0.000 0.579 260 L N 5.595 126.184 121.223 -1.055 0.000 2.381 260 L HA 0.563 4.912 4.340 0.014 0.000 0.268 260 L C 0.428 176.917 176.870 -0.635 0.000 0.997 260 L CA -0.936 53.609 54.840 -0.492 0.000 0.818 260 L CB 1.792 43.608 42.059 -0.406 0.000 1.310 260 L HN 0.755 nan 8.230 nan 0.000 0.416 261 G N 1.100 109.795 108.800 -0.174 0.000 2.557 261 G HA2 0.469 4.437 3.960 0.014 0.000 0.292 261 G HA3 0.469 4.437 3.960 0.014 0.000 0.292 261 G C -0.358 174.526 174.900 -0.026 0.000 1.237 261 G CA -0.548 44.557 45.100 0.009 0.000 0.978 261 G HN 0.276 nan 8.290 nan 0.000 0.498 262 V N 1.949 121.878 119.914 0.024 0.000 2.540 262 V HA 0.026 4.154 4.120 0.014 0.000 0.297 262 V C 0.711 176.801 176.094 -0.007 0.000 1.024 262 V CA 0.147 62.451 62.300 0.007 0.000 1.105 262 V CB 0.596 32.431 31.823 0.020 0.000 0.938 262 V HN 0.910 nan 8.190 nan 0.000 0.482 263 N N 2.175 120.863 118.700 -0.020 0.000 2.741 263 N HA -0.190 4.558 4.740 0.014 0.000 0.251 263 N C 0.290 175.785 175.510 -0.025 0.000 1.112 263 N CA 1.320 54.357 53.050 -0.021 0.000 0.750 263 N CB -0.509 37.970 38.487 -0.013 0.000 1.119 263 N HN 0.949 nan 8.380 nan 0.000 0.561 264 E N 0.661 120.834 120.200 -0.044 0.000 2.174 264 E HA 0.490 4.848 4.350 0.014 0.000 0.282 264 E C -0.488 176.047 176.600 -0.109 0.000 0.992 264 E CA -0.325 56.041 56.400 -0.057 0.000 0.803 264 E CB 0.710 30.377 29.700 -0.055 0.000 1.090 264 E HN 0.197 nan 8.360 nan 0.000 0.396 265 I N 3.285 123.810 120.570 -0.076 0.000 2.447 265 I HA 0.176 4.354 4.170 0.014 0.000 0.287 265 I C -0.474 175.611 176.117 -0.054 0.000 1.023 265 I CA -0.587 60.662 61.300 -0.085 0.000 1.083 265 I CB 2.086 40.093 38.000 0.011 0.000 1.245 265 I HN 0.326 nan 8.210 nan 0.000 0.434 266 S N 7.552 123.174 115.700 -0.130 0.000 2.478 266 S HA 0.518 4.996 4.470 0.014 0.000 0.312 266 S C -1.779 172.840 174.600 0.032 0.000 1.094 266 S CA -1.694 56.493 58.200 -0.022 0.000 1.081 266 S CB 1.564 64.760 63.200 -0.007 0.000 1.007 266 S HN 0.430 nan 8.310 nan 0.000 0.475 267 P HA -0.001 nan 4.420 nan 0.000 0.220 267 P C 0.589 177.946 177.300 0.096 0.000 1.152 267 P CA 0.885 64.065 63.100 0.134 0.000 0.812 267 P CB 0.270 32.033 31.700 0.106 0.000 0.792 268 E N -0.607 119.649 120.200 0.093 0.000 2.106 268 E HA -0.178 4.181 4.350 0.014 0.000 0.192 268 E C 2.113 178.557 176.600 -0.259 0.000 0.984 268 E CA 0.907 57.364 56.400 0.095 0.000 0.806 268 E CB -1.256 28.658 29.700 0.357 0.000 0.750 268 E HN 0.294 nan 8.360 nan 0.000 0.458 269 Y N 0.778 120.618 120.300 -0.767 0.000 2.081 269 Y HA -0.329 4.229 4.550 0.013 0.000 0.280 269 Y C 2.018 177.560 175.900 -0.597 0.000 1.163 269 Y CA 2.310 59.639 58.100 -1.286 0.000 1.135 269 Y CB -0.394 37.409 38.460 -1.095 0.000 0.970 269 Y HN 0.174 nan 8.280 nan 0.000 0.498 270 H N -0.832 118.209 119.070 -0.048 0.000 2.389 270 H HA -0.158 4.406 4.556 0.014 0.000 0.299 270 H C 2.341 177.648 175.328 -0.035 0.000 1.081 270 H CA 1.512 57.518 56.048 -0.070 0.000 1.345 270 H CB -0.130 29.601 29.762 -0.051 0.000 1.393 270 H HN 0.474 nan 8.280 nan 0.000 0.520 271 Q N 0.042 119.898 119.800 0.093 0.000 2.124 271 Q HA -0.192 4.156 4.340 0.014 0.000 0.202 271 Q C 1.831 177.935 176.000 0.173 0.000 0.977 271 Q CA 1.447 57.309 55.803 0.098 0.000 0.850 271 Q CB -0.114 28.664 28.738 0.066 0.000 0.901 271 Q HN 0.465 nan 8.270 nan 0.000 0.429 272 F N 0.543 120.515 119.950 0.036 0.000 2.075 272 F HA -0.135 4.400 4.527 0.014 0.000 0.297 272 F C 2.126 177.981 175.800 0.092 0.000 1.113 272 F CA 1.595 59.713 58.000 0.196 0.000 1.218 272 F CB -0.534 38.491 39.000 0.042 0.000 0.984 272 F HN 0.161 nan 8.300 nan 0.000 0.472 273 A N 0.211 123.087 122.820 0.094 0.000 1.978 273 A HA -0.226 4.102 4.320 0.014 0.000 0.220 273 A C 1.878 179.493 177.584 0.053 0.000 1.170 273 A CA 2.045 54.120 52.037 0.064 0.000 0.636 273 A CB -0.807 18.291 19.000 0.162 0.000 0.810 273 A HN 0.535 nan 8.150 nan 0.000 0.448 274 N N -0.608 118.143 118.700 0.085 0.000 2.416 274 N HA -0.002 4.746 4.740 0.014 0.000 0.177 274 N C 1.062 176.604 175.510 0.053 0.000 1.036 274 N CA 1.150 54.249 53.050 0.082 0.000 0.901 274 N CB 0.041 38.584 38.487 0.093 0.000 0.976 274 N HN 0.708 nan 8.380 nan 0.000 0.444 275 E N -0.982 119.260 120.200 0.070 0.000 2.606 275 E HA 0.104 4.462 4.350 0.014 0.000 0.224 275 E C 1.039 177.675 176.600 0.061 0.000 0.930 275 E CA 0.011 56.500 56.400 0.148 0.000 1.125 275 E CB 0.470 30.343 29.700 0.287 0.000 1.123 275 E HN 0.214 nan 8.360 nan 0.000 0.522 276 S N -0.450 115.055 115.700 -0.326 0.000 2.470 276 S HA 0.133 4.611 4.470 0.014 0.000 0.225 276 S C 1.748 176.046 174.600 -0.504 0.000 1.006 276 S CA 0.718 58.418 58.200 -0.833 0.000 0.934 276 S CB 0.412 62.646 63.200 -1.610 0.000 0.778 276 S HN 0.320 nan 8.310 nan 0.000 0.517 277 G N 1.289 109.902 108.800 -0.311 0.000 2.201 277 G HA2 -0.201 3.767 3.960 0.014 0.000 0.212 277 G HA3 -0.201 3.767 3.960 0.014 0.000 0.212 277 G C -0.045 174.746 174.900 -0.183 0.000 0.994 277 G CA 0.071 45.040 45.100 -0.218 0.000 0.644 277 G HN 0.854 nan 8.290 nan 0.000 0.508 278 M N 0.288 119.759 119.600 -0.216 0.000 2.644 278 M HA 0.846 5.335 4.480 0.014 0.000 0.304 278 M C 0.406 176.660 176.300 -0.077 0.000 1.215 278 M CA -0.280 54.941 55.300 -0.130 0.000 0.871 278 M CB 2.050 34.608 32.600 -0.070 0.000 1.740 278 M HN 0.506 nan 8.290 nan 0.000 0.464 279 S N 1.475 117.146 115.700 -0.049 0.000 2.647 279 S HA 0.863 5.341 4.470 0.014 0.000 0.284 279 S C -0.371 174.283 174.600 0.090 0.000 1.134 279 S CA -0.873 57.330 58.200 0.004 0.000 1.027 279 S CB 0.970 64.161 63.200 -0.015 0.000 1.180 279 S HN 0.760 nan 8.310 nan 0.000 0.521 280 L N -0.207 121.066 121.223 0.083 0.000 2.350 280 L HA 0.500 4.848 4.340 0.014 0.000 0.260 280 L C -0.889 176.119 176.870 0.230 0.000 1.015 280 L CA -1.049 53.904 54.840 0.189 0.000 0.821 280 L CB 1.721 43.829 42.059 0.082 0.000 1.370 280 L HN 0.572 nan 8.230 nan 0.000 0.416 281 L N 1.484 122.949 121.223 0.403 0.000 2.455 281 L HA 0.044 4.392 4.340 0.014 0.000 0.272 281 L C 0.039 177.239 176.870 0.551 0.000 1.174 281 L CA 0.159 55.269 54.840 0.450 0.000 0.869 281 L CB 0.229 42.561 42.059 0.454 0.000 1.130 281 L HN 0.498 nan 8.230 nan 0.000 0.474 282 D N 2.768 123.436 120.400 0.447 0.000 2.558 282 D HA 0.021 4.669 4.640 0.014 0.000 0.221 282 D C 0.694 177.149 176.300 0.259 0.000 1.143 282 D CA -0.010 54.217 54.000 0.378 0.000 1.010 282 D CB 0.247 41.112 40.800 0.108 0.000 1.068 282 D HN 0.317 nan 8.370 nan 0.000 0.511 283 Y N 1.417 121.959 120.300 0.404 0.000 2.293 283 Y HA -0.088 4.470 4.550 0.014 0.000 0.291 283 Y C 2.528 178.430 175.900 0.004 0.000 1.137 283 Y CA 0.940 59.120 58.100 0.134 0.000 1.202 283 Y CB 0.064 38.564 38.460 0.067 0.000 0.990 283 Y HN 0.290 nan 8.280 nan 0.000 0.537 284 R N -0.366 120.268 120.500 0.224 0.000 2.091 284 R HA -0.233 4.115 4.340 0.014 0.000 0.238 284 R C 2.182 178.592 176.300 0.183 0.000 1.136 284 R CA 1.877 58.059 56.100 0.137 0.000 0.959 284 R CB -0.696 29.721 30.300 0.195 0.000 0.856 284 R HN 0.384 nan 8.270 nan 0.000 0.437 285 F N 0.816 120.818 119.950 0.085 0.000 2.075 285 F HA -0.125 4.409 4.527 0.012 0.000 0.297 285 F C 2.193 177.961 175.800 -0.053 0.000 1.113 285 F CA 1.667 59.696 58.000 0.048 0.000 1.218 285 F CB -0.411 38.608 39.000 0.031 0.000 0.984 285 F HN 0.126 nan 8.300 nan 0.000 0.472 286 A N 0.109 122.933 122.820 0.006 0.000 1.883 286 A HA -0.228 4.100 4.320 0.014 0.000 0.217 286 A C 2.145 179.682 177.584 -0.079 0.000 1.186 286 A CA 1.792 53.677 52.037 -0.254 0.000 0.624 286 A CB -0.824 17.526 19.000 -1.084 0.000 0.822 286 A HN 0.530 nan 8.150 nan 0.000 0.444 287 Q N -0.594 119.182 119.800 -0.041 0.000 2.046 287 Q HA -0.166 4.182 4.340 0.014 0.000 0.200 287 Q C 2.117 178.105 176.000 -0.020 0.000 0.975 287 Q CA 1.864 57.670 55.803 0.005 0.000 0.836 287 Q CB -0.383 28.361 28.738 0.010 0.000 0.896 287 Q HN 0.628 nan 8.270 nan 0.000 0.428 288 K N 1.065 121.435 120.400 -0.050 0.000 2.057 288 K HA -0.021 4.307 4.320 0.014 0.000 0.206 288 K C 1.883 178.398 176.600 -0.141 0.000 1.050 288 K CA 1.350 57.580 56.287 -0.096 0.000 0.935 288 K CB -0.525 31.914 32.500 -0.102 0.000 0.715 288 K HN 0.130 nan 8.250 nan 0.000 0.439 289 A N 0.778 123.515 122.820 -0.138 0.000 1.940 289 A HA -0.170 4.158 4.320 0.014 0.000 0.219 289 A C 2.110 179.803 177.584 0.182 0.000 1.176 289 A CA 1.725 53.756 52.037 -0.009 0.000 0.631 289 A CB -0.453 18.612 19.000 0.108 0.000 0.814 289 A HN 0.358 nan 8.150 nan 0.000 0.446 290 R N -0.758 119.836 120.500 0.157 0.000 2.090 290 R HA -0.089 4.259 4.340 0.014 0.000 0.228 290 R C 2.436 178.719 176.300 -0.029 0.000 1.110 290 R CA 1.400 57.570 56.100 0.117 0.000 0.973 290 R CB -0.281 30.060 30.300 0.068 0.000 0.869 290 R HN 0.681 nan 8.270 nan 0.000 0.440 291 Q N -0.005 119.760 119.800 -0.058 0.000 2.084 291 Q HA -0.127 4.221 4.340 0.014 0.000 0.202 291 Q C 2.119 178.028 176.000 -0.151 0.000 0.978 291 Q CA 1.505 57.251 55.803 -0.096 0.000 0.844 291 Q CB 0.081 28.764 28.738 -0.092 0.000 0.898 291 Q HN 0.188 nan 8.270 nan 0.000 0.426 292 V N -0.656 119.106 119.914 -0.253 0.000 2.446 292 V HA -0.127 4.002 4.120 0.014 0.000 0.244 292 V C 1.485 177.305 176.094 -0.457 0.000 1.039 292 V CA 1.506 63.533 62.300 -0.455 0.000 1.045 292 V CB -0.265 31.105 31.823 -0.754 0.000 0.681 292 V HN 0.264 nan 8.190 nan 0.000 0.459 293 F N -0.940 119.017 119.950 0.011 0.000 2.714 293 F HA 0.241 4.777 4.527 0.014 0.000 0.294 293 F C 2.368 178.264 175.800 0.161 0.000 1.120 293 F CA 0.411 58.497 58.000 0.143 0.000 1.398 293 F CB 0.261 39.438 39.000 0.296 0.000 1.120 293 F HN -0.093 nan 8.300 nan 0.000 0.589 294 R N 0.103 120.633 120.500 0.050 0.000 2.125 294 R HA 0.036 4.385 4.340 0.014 0.000 0.195 294 R C 1.069 177.263 176.300 -0.176 0.000 1.138 294 R CA 0.792 56.705 56.100 -0.311 0.000 1.123 294 R CB 0.082 29.821 30.300 -0.936 0.000 1.049 294 R HN 0.006 nan 8.270 nan 0.000 0.503 295 D N 0.280 120.589 120.400 -0.151 0.000 2.346 295 D HA -0.034 4.614 4.640 0.014 0.000 0.206 295 D C -0.091 176.165 176.300 -0.074 0.000 1.001 295 D CA 0.333 54.268 54.000 -0.108 0.000 0.871 295 D CB -0.025 40.716 40.800 -0.098 0.000 0.943 295 D HN 0.187 nan 8.370 nan 0.000 0.518 296 N N 0.768 119.421 118.700 -0.077 0.000 2.738 296 N HA -0.163 4.585 4.740 0.014 0.000 0.249 296 N C 0.117 175.590 175.510 -0.062 0.000 1.047 296 N CA 1.085 54.094 53.050 -0.069 0.000 0.707 296 N CB -1.615 36.847 38.487 -0.043 0.000 0.937 296 N HN 0.241 nan 8.380 nan 0.000 0.545 297 T N -3.918 110.595 114.554 -0.069 0.000 3.134 297 T HA 0.352 4.710 4.350 0.014 0.000 0.260 297 T C 0.076 174.740 174.700 -0.060 0.000 1.027 297 T CA -0.106 61.961 62.100 -0.054 0.000 0.913 297 T CB 0.745 69.585 68.868 -0.046 0.000 1.046 297 T HN 0.265 nan 8.240 nan 0.000 0.553 298 D N 0.875 121.226 120.400 -0.082 0.000 2.671 298 D HA 0.355 5.003 4.640 0.014 0.000 0.273 298 D C -1.447 174.786 176.300 -0.111 0.000 1.264 298 D CA -0.462 53.488 54.000 -0.083 0.000 0.788 298 D CB 1.884 42.628 40.800 -0.094 0.000 1.324 298 D HN 0.287 nan 8.370 nan 0.000 0.424 299 N N -0.438 118.208 118.700 -0.090 0.000 3.002 299 N HA 0.265 5.013 4.740 0.014 0.000 0.331 299 N C 0.886 176.297 175.510 -0.165 0.000 1.384 299 N CA -0.471 52.513 53.050 -0.109 0.000 0.780 299 N CB 0.180 38.660 38.487 -0.011 0.000 1.492 299 N HN 0.199 nan 8.380 nan 0.000 0.608 300 M N -0.801 118.673 119.600 -0.210 0.000 2.279 300 M HA -0.043 4.446 4.480 0.014 0.000 0.264 300 M C 1.144 177.268 176.300 -0.293 0.000 1.062 300 M CA 1.423 56.549 55.300 -0.291 0.000 1.099 300 M CB -1.376 31.038 32.600 -0.310 0.000 1.394 300 M HN 0.538 nan 8.290 nan 0.000 0.426 301 Y N -0.047 120.202 120.300 -0.086 0.000 2.352 301 Y HA -0.058 4.500 4.550 0.014 0.000 0.292 301 Y C 2.553 178.412 175.900 -0.070 0.000 1.136 301 Y CA 1.165 59.225 58.100 -0.066 0.000 1.227 301 Y CB -0.821 37.602 38.460 -0.061 0.000 0.991 301 Y HN 0.314 nan 8.280 nan 0.000 0.545 302 G N -0.510 108.306 108.800 0.027 0.000 2.403 302 G HA2 -0.201 3.767 3.960 0.014 0.000 0.216 302 G HA3 -0.201 3.767 3.960 0.014 0.000 0.216 302 G C 1.554 176.413 174.900 -0.068 0.000 1.154 302 G CA 0.595 45.682 45.100 -0.021 0.000 0.784 302 G HN 0.297 nan 8.290 nan 0.000 0.538 303 L N 0.872 122.008 121.223 -0.144 0.000 2.017 303 L HA 0.050 4.398 4.340 0.014 0.000 0.208 303 L C 2.734 179.557 176.870 -0.077 0.000 1.073 303 L CA 2.354 57.085 54.840 -0.182 0.000 0.745 303 L CB -0.409 41.444 42.059 -0.344 0.000 0.894 303 L HN 0.242 nan 8.230 nan 0.000 0.432 304 K N -0.636 119.728 120.400 -0.060 0.000 2.032 304 K HA -0.227 4.101 4.320 0.014 0.000 0.209 304 K C 1.926 178.549 176.600 0.037 0.000 1.048 304 K CA 1.639 57.927 56.287 0.002 0.000 0.927 304 K CB -0.289 32.209 32.500 -0.004 0.000 0.712 304 K HN 0.419 nan 8.250 nan 0.000 0.441 305 A N 1.543 124.385 122.820 0.037 0.000 1.969 305 A HA -0.154 4.175 4.320 0.014 0.000 0.218 305 A C 2.125 179.732 177.584 0.040 0.000 1.169 305 A CA 1.444 53.505 52.037 0.041 0.000 0.635 305 A CB -0.504 18.517 19.000 0.035 0.000 0.810 305 A HN 0.483 nan 8.150 nan 0.000 0.445 306 M N -0.224 119.396 119.600 0.033 0.000 2.132 306 M HA -0.047 4.442 4.480 0.014 0.000 0.263 306 M C 1.919 178.287 176.300 0.113 0.000 1.065 306 M CA 1.633 56.970 55.300 0.061 0.000 1.122 306 M CB -0.799 31.822 32.600 0.034 0.000 1.365 306 M HN 0.423 nan 8.290 nan 0.000 0.411 307 L N -0.056 121.233 121.223 0.109 0.000 2.056 307 L HA -0.210 4.139 4.340 0.014 0.000 0.207 307 L C 2.302 179.247 176.870 0.125 0.000 1.078 307 L CA 1.395 56.322 54.840 0.145 0.000 0.749 307 L CB -0.601 41.526 42.059 0.113 0.000 0.901 307 L HN 0.336 nan 8.230 nan 0.000 0.433 308 E N -0.184 120.072 120.200 0.094 0.000 2.072 308 E HA -0.142 4.217 4.350 0.014 0.000 0.191 308 E C 2.217 178.853 176.600 0.060 0.000 0.985 308 E CA 0.975 57.423 56.400 0.080 0.000 0.801 308 E CB -0.276 29.467 29.700 0.071 0.000 0.750 308 E HN 0.527 nan 8.360 nan 0.000 0.452 309 G N 1.079 109.908 108.800 0.048 0.000 2.421 309 G HA2 -0.295 3.673 3.960 0.014 0.000 0.216 309 G HA3 -0.295 3.673 3.960 0.014 0.000 0.216 309 G C 1.738 176.636 174.900 -0.003 0.000 1.171 309 G CA 1.186 46.292 45.100 0.010 0.000 0.775 309 G HN 0.382 nan 8.290 nan 0.000 0.543 310 S N 0.065 115.810 115.700 0.075 0.000 2.453 310 S HA 0.015 4.494 4.470 0.014 0.000 0.231 310 S C 1.916 176.647 174.600 0.219 0.000 1.005 310 S CA 1.341 59.619 58.200 0.130 0.000 0.949 310 S CB -0.045 63.376 63.200 0.369 0.000 0.774 310 S HN 0.539 nan 8.310 nan 0.000 0.510 311 E N 0.608 120.906 120.200 0.163 0.000 2.204 311 E HA -0.077 4.281 4.350 0.014 0.000 0.195 311 E C 1.557 178.213 176.600 0.092 0.000 0.990 311 E CA 1.039 57.526 56.400 0.145 0.000 0.821 311 E CB 0.037 29.804 29.700 0.112 0.000 0.750 311 E HN 0.469 nan 8.360 nan 0.000 0.477 312 V N 0.847 120.784 119.914 0.038 0.000 2.575 312 V HA -0.118 4.010 4.120 0.014 0.000 0.242 312 V C 1.469 177.529 176.094 -0.057 0.000 1.045 312 V CA 1.367 63.663 62.300 -0.007 0.000 1.065 312 V CB -0.069 31.743 31.823 -0.019 0.000 0.717 312 V HN 0.175 nan 8.190 nan 0.000 0.467 313 D N -0.889 119.412 120.400 -0.165 0.000 2.178 313 D HA -0.084 4.564 4.640 0.014 0.000 0.202 313 D C 0.336 176.462 176.300 -0.290 0.000 0.974 313 D CA 1.000 54.776 54.000 -0.372 0.000 0.841 313 D CB -0.152 40.157 40.800 -0.818 0.000 0.953 313 D HN 0.413 nan 8.370 nan 0.000 0.478 314 Y N 0.134 120.412 120.300 -0.036 0.000 2.365 314 Y HA 0.385 4.943 4.550 0.013 0.000 0.340 314 Y C 1.268 177.180 175.900 0.020 0.000 1.016 314 Y CA -0.786 57.350 58.100 0.059 0.000 1.196 314 Y CB 1.373 39.894 38.460 0.103 0.000 1.167 314 Y HN -0.175 nan 8.280 nan 0.000 0.509 315 A N 2.932 125.860 122.820 0.181 0.000 1.933 315 A HA -0.149 4.179 4.320 0.014 0.000 0.218 315 A C 0.729 178.346 177.584 0.054 0.000 1.175 315 A CA 1.196 53.280 52.037 0.079 0.000 0.628 315 A CB -0.212 18.825 19.000 0.062 0.000 0.814 315 A HN 0.782 nan 8.150 nan 0.000 0.444 316 Q N -0.986 118.879 119.800 0.109 0.000 2.788 316 Q HA 0.409 4.757 4.340 0.014 0.000 0.261 316 Q C 0.354 176.401 176.000 0.079 0.000 1.029 316 Q CA -0.142 55.721 55.803 0.100 0.000 0.848 316 Q CB 1.308 30.149 28.738 0.172 0.000 1.185 316 Q HN 0.134 nan 8.270 nan 0.000 0.482 317 V N 1.563 121.524 119.914 0.077 0.000 2.720 317 V HA -0.216 3.912 4.120 0.014 0.000 0.256 317 V C 0.942 177.007 176.094 -0.049 0.000 1.082 317 V CA 1.700 63.996 62.300 -0.007 0.000 1.101 317 V CB 0.051 31.940 31.823 0.110 0.000 0.693 317 V HN 0.708 nan 8.190 nan 0.000 0.479 318 N N 0.423 119.149 118.700 0.043 0.000 2.550 318 N HA -0.054 4.695 4.740 0.014 0.000 0.186 318 N C 0.994 176.505 175.510 0.001 0.000 1.110 318 N CA 0.960 54.030 53.050 0.033 0.000 0.912 318 N CB -0.116 38.458 38.487 0.144 0.000 0.968 318 N HN 0.548 nan 8.380 nan 0.000 0.448 319 D N 0.039 120.456 120.400 0.029 0.000 2.369 319 D HA 0.037 4.685 4.640 0.014 0.000 0.211 319 D C 0.055 176.377 176.300 0.036 0.000 1.077 319 D CA 0.215 54.280 54.000 0.109 0.000 0.842 319 D CB 0.422 41.355 40.800 0.222 0.000 0.947 319 D HN 0.112 nan 8.370 nan 0.000 0.509 320 Q N 0.651 120.354 119.800 -0.162 0.000 2.261 320 Q HA 0.270 4.618 4.340 0.014 0.000 0.252 320 Q C -0.026 175.845 176.000 -0.214 0.000 0.915 320 Q CA -0.417 55.232 55.803 -0.257 0.000 0.915 320 Q CB 2.225 30.626 28.738 -0.560 0.000 1.204 320 Q HN -0.124 nan 8.270 nan 0.000 0.421 321 V N 3.199 123.003 119.914 -0.183 0.000 2.364 321 V HA 0.250 4.378 4.120 0.014 0.000 0.272 321 V C 0.571 176.668 176.094 0.005 0.000 1.036 321 V CA -0.416 61.772 62.300 -0.186 0.000 0.880 321 V CB 0.785 32.319 31.823 -0.482 0.000 0.991 321 V HN 0.892 nan 8.190 nan 0.000 0.460 322 T N 2.754 117.227 114.554 -0.135 0.000 2.927 322 T HA 0.899 5.257 4.350 0.014 0.000 0.281 322 T C -0.617 174.164 174.700 0.136 0.000 0.998 322 T CA -0.526 61.404 62.100 -0.283 0.000 1.019 322 T CB 1.732 69.967 68.868 -1.055 0.000 1.061 322 T HN 0.751 nan 8.240 nan 0.000 0.518 323 F N -1.484 118.487 119.950 0.035 0.000 2.878 323 F HA 0.461 4.994 4.527 0.011 0.000 0.322 323 F C -0.186 175.768 175.800 0.257 0.000 1.154 323 F CA -1.328 56.752 58.000 0.133 0.000 0.896 323 F CB 0.609 39.678 39.000 0.115 0.000 1.313 323 F HN 0.580 nan 8.300 nan 0.000 0.451 324 I N -1.640 119.133 120.570 0.338 0.000 4.227 324 I HA 0.478 4.657 4.170 0.014 0.000 0.334 324 I C -0.887 175.496 176.117 0.444 0.000 1.341 324 I CA 0.049 61.531 61.300 0.303 0.000 1.123 324 I CB 0.625 38.723 38.000 0.163 0.000 1.097 324 I HN 0.647 nan 8.210 nan 0.000 0.399 325 D N 0.859 121.571 120.400 0.521 0.000 2.725 325 D HA 0.355 5.004 4.640 0.014 0.000 0.292 325 D C -1.223 175.170 176.300 0.156 0.000 1.288 325 D CA -0.573 53.664 54.000 0.394 0.000 0.784 325 D CB 0.561 41.556 40.800 0.326 0.000 1.308 325 D HN 0.444 nan 8.370 nan 0.000 0.429 326 N N -2.845 115.696 118.700 -0.264 0.000 3.395 326 N HA 0.081 4.829 4.740 0.014 0.000 0.293 326 N C 0.758 175.694 175.510 -0.957 0.000 1.489 326 N CA -0.780 51.756 53.050 -0.857 0.000 0.871 326 N CB 0.574 38.811 38.487 -0.416 0.000 1.649 326 N HN 0.513 nan 8.380 nan 0.000 0.501 327 H N -0.943 117.664 119.070 -0.772 0.000 2.492 327 H HA -0.037 4.526 4.556 0.012 0.000 0.296 327 H C -0.376 174.942 175.328 -0.016 0.000 1.095 327 H CA 1.419 57.345 56.048 -0.204 0.000 1.281 327 H CB -0.430 29.509 29.762 0.295 0.000 1.374 327 H HN 0.521 nan 8.280 nan 0.000 0.545 328 D N 0.204 120.362 120.400 -0.403 0.000 2.501 328 D HA 0.299 4.947 4.640 0.014 0.000 0.226 328 D C 0.119 176.456 176.300 0.063 0.000 1.198 328 D CA 0.005 53.911 54.000 -0.157 0.000 0.830 328 D CB 0.434 41.156 40.800 -0.130 0.000 1.014 328 D HN 0.353 nan 8.370 nan 0.000 0.496 329 M N -0.010 119.621 119.600 0.052 0.000 2.575 329 M HA 0.266 4.755 4.480 0.014 0.000 0.284 329 M C -0.274 176.080 176.300 0.091 0.000 1.253 329 M CA -0.800 54.586 55.300 0.143 0.000 0.861 329 M CB 2.961 35.699 32.600 0.230 0.000 1.733 329 M HN -0.284 nan 8.290 nan 0.000 0.462 330 E N 1.867 122.125 120.200 0.097 0.000 2.415 330 E HA 0.096 4.455 4.350 0.014 0.000 0.262 330 E C -0.450 176.224 176.600 0.124 0.000 1.038 330 E CA -0.084 56.366 56.400 0.082 0.000 0.921 330 E CB 0.605 30.337 29.700 0.054 0.000 0.950 330 E HN 0.301 nan 8.360 nan 0.000 0.438 331 R N 1.917 122.500 120.500 0.139 0.000 2.640 331 R HA -0.070 4.278 4.340 0.014 0.000 0.270 331 R C 0.929 177.372 176.300 0.238 0.000 1.024 331 R CA 0.255 56.481 56.100 0.210 0.000 1.085 331 R CB 0.104 30.513 30.300 0.181 0.000 0.963 331 R HN 0.643 nan 8.270 nan 0.000 0.426 332 F N 2.307 122.353 119.950 0.160 0.000 2.102 332 F HA -0.163 4.365 4.527 0.002 0.000 0.298 332 F C 1.557 177.459 175.800 0.171 0.000 1.105 332 F CA 1.349 59.446 58.000 0.162 0.000 1.239 332 F CB -0.059 39.049 39.000 0.181 0.000 0.991 332 F HN 0.495 nan 8.300 nan 0.000 0.474 333 H N 1.265 120.605 119.070 0.450 0.000 2.803 333 H HA 0.141 4.688 4.556 -0.015 0.000 0.330 333 H C -0.437 174.994 175.328 0.172 0.000 1.057 333 H CA 0.327 56.574 56.048 0.331 0.000 1.458 333 H CB 0.688 30.649 29.762 0.332 0.000 1.470 333 H HN 0.199 nan 8.280 nan 0.000 0.560 334 T N 1.724 116.005 114.554 -0.454 0.000 2.943 334 T HA 0.279 4.637 4.350 0.014 0.000 0.284 334 T C 0.054 174.466 174.700 -0.480 0.000 1.015 334 T CA -1.069 60.836 62.100 -0.326 0.000 1.042 334 T CB 1.179 69.936 68.868 -0.185 0.000 1.055 334 T HN 0.571 nan 8.240 nan 0.000 0.500 335 S N 2.220 117.801 115.700 -0.199 0.000 2.516 335 S HA 0.194 4.672 4.470 0.014 0.000 0.282 335 S C 0.547 175.099 174.600 -0.081 0.000 1.286 335 S CA -0.801 57.342 58.200 -0.096 0.000 1.066 335 S CB -0.338 62.849 63.200 -0.022 0.000 0.884 335 S HN 0.824 nan 8.310 nan 0.000 0.491 336 N N 0.372 119.058 118.700 -0.023 0.000 2.741 336 N HA -0.121 4.627 4.740 0.014 0.000 0.250 336 N C 0.323 175.827 175.510 -0.009 0.000 1.115 336 N CA 1.165 54.219 53.050 0.006 0.000 0.724 336 N CB -1.401 37.086 38.487 0.001 0.000 1.090 336 N HN 0.963 nan 8.380 nan 0.000 0.558 337 G N -0.265 108.492 108.800 -0.071 0.000 2.451 337 G HA2 0.284 4.252 3.960 0.014 0.000 0.303 337 G HA3 0.284 4.252 3.960 0.014 0.000 0.303 337 G C -0.330 174.662 174.900 0.154 0.000 1.166 337 G CA -0.253 44.825 45.100 -0.036 0.000 0.884 337 G HN 0.103 nan 8.290 nan 0.000 0.514 338 D N 0.117 120.608 120.400 0.152 0.000 2.363 338 D HA 0.053 4.701 4.640 0.014 0.000 0.263 338 D C 1.604 178.066 176.300 0.270 0.000 1.258 338 D CA -0.050 54.054 54.000 0.174 0.000 0.907 338 D CB 0.747 41.625 40.800 0.130 0.000 1.107 338 D HN 0.344 nan 8.370 nan 0.000 0.495 339 R N 2.430 123.041 120.500 0.186 0.000 2.159 339 R HA -0.166 4.183 4.340 0.014 0.000 0.237 339 R C 1.847 178.253 176.300 0.175 0.000 1.131 339 R CA 0.819 56.973 56.100 0.089 0.000 0.982 339 R CB 0.052 30.151 30.300 -0.335 0.000 0.868 339 R HN 0.195 nan 8.270 nan 0.000 0.453 340 R N 1.607 122.188 120.500 0.134 0.000 2.193 340 R HA -0.075 4.273 4.340 0.014 0.000 0.229 340 R C 1.286 177.681 176.300 0.158 0.000 1.110 340 R CA 1.536 57.711 56.100 0.124 0.000 0.988 340 R CB -0.062 30.294 30.300 0.094 0.000 0.871 340 R HN 0.136 nan 8.270 nan 0.000 0.458 341 K N -0.355 120.191 120.400 0.243 0.000 2.057 341 K HA -0.129 4.199 4.320 0.014 0.000 0.206 341 K C 1.867 178.649 176.600 0.304 0.000 1.050 341 K CA 1.462 57.955 56.287 0.343 0.000 0.935 341 K CB -0.308 32.469 32.500 0.462 0.000 0.715 341 K HN 0.124 nan 8.250 nan 0.000 0.439 342 L N 1.961 123.363 121.223 0.298 0.000 2.056 342 L HA -0.149 4.199 4.340 0.014 0.000 0.207 342 L C 1.756 178.551 176.870 -0.124 0.000 1.078 342 L CA 1.782 56.603 54.840 -0.032 0.000 0.749 342 L CB -0.186 41.972 42.059 0.166 0.000 0.901 342 L HN 0.110 nan 8.230 nan 0.000 0.433 343 E N -0.881 119.331 120.200 0.020 0.000 2.072 343 E HA -0.239 4.119 4.350 0.014 0.000 0.191 343 E C 2.156 178.706 176.600 -0.083 0.000 0.985 343 E CA 1.444 57.838 56.400 -0.010 0.000 0.801 343 E CB -0.175 29.566 29.700 0.068 0.000 0.750 343 E HN 0.648 nan 8.360 nan 0.000 0.452 344 Q N 0.309 120.049 119.800 -0.101 0.000 2.079 344 Q HA -0.107 4.241 4.340 0.014 0.000 0.200 344 Q C 2.298 178.047 176.000 -0.418 0.000 0.974 344 Q CA 1.272 56.949 55.803 -0.210 0.000 0.840 344 Q CB -0.175 28.426 28.738 -0.228 0.000 0.898 344 Q HN 0.242 nan 8.270 nan 0.000 0.430 345 A N 0.892 123.396 122.820 -0.527 0.000 1.969 345 A HA -0.123 4.205 4.320 0.014 0.000 0.218 345 A C 2.070 179.507 177.584 -0.245 0.000 1.169 345 A CA 0.928 52.629 52.037 -0.560 0.000 0.635 345 A CB -0.539 18.096 19.000 -0.607 0.000 0.810 345 A HN 0.256 nan 8.150 nan 0.000 0.445 346 L N -0.888 120.196 121.223 -0.232 0.000 2.056 346 L HA -0.172 4.176 4.340 0.014 0.000 0.207 346 L C 3.111 179.937 176.870 -0.073 0.000 1.078 346 L CA 1.050 55.815 54.840 -0.125 0.000 0.749 346 L CB -0.508 41.477 42.059 -0.124 0.000 0.901 346 L HN 0.425 nan 8.230 nan 0.000 0.433 347 A N -0.222 122.550 122.820 -0.080 0.000 1.902 347 A HA -0.276 4.052 4.320 0.014 0.000 0.217 347 A C 2.162 179.764 177.584 0.031 0.000 1.181 347 A CA 1.577 53.588 52.037 -0.044 0.000 0.623 347 A CB -0.828 18.136 19.000 -0.060 0.000 0.818 347 A HN 0.403 nan 8.150 nan 0.000 0.443 348 F N 1.620 121.509 119.950 -0.101 0.000 2.069 348 F HA -0.174 4.360 4.527 0.011 0.000 0.298 348 F C 2.462 178.355 175.800 0.155 0.000 1.113 348 F CA 2.409 60.431 58.000 0.036 0.000 1.214 348 F CB -0.935 37.961 39.000 -0.172 0.000 0.978 348 F HN 0.216 nan 8.300 nan 0.000 0.474 349 T N 1.548 116.070 114.554 -0.052 0.000 2.746 349 T HA -0.172 4.186 4.350 0.014 0.000 0.267 349 T C 2.178 176.801 174.700 -0.128 0.000 1.039 349 T CA 1.750 63.820 62.100 -0.049 0.000 1.142 349 T CB -0.603 68.318 68.868 0.089 0.000 0.866 349 T HN 0.262 nan 8.240 nan 0.000 0.444 350 L N 1.313 122.487 121.223 -0.081 0.000 2.201 350 L HA -0.038 4.310 4.340 0.014 0.000 0.212 350 L C 2.597 179.413 176.870 -0.090 0.000 1.105 350 L CA 1.286 56.075 54.840 -0.086 0.000 0.775 350 L CB -0.649 41.368 42.059 -0.070 0.000 0.913 350 L HN 0.437 nan 8.230 nan 0.000 0.440 351 T N -5.672 108.846 114.554 -0.060 0.000 3.054 351 T HA 0.196 4.554 4.350 0.014 0.000 0.255 351 T C 0.727 175.448 174.700 0.035 0.000 1.035 351 T CA -0.306 61.793 62.100 -0.000 0.000 0.941 351 T CB 0.287 69.189 68.868 0.057 0.000 1.026 351 T HN -0.020 nan 8.240 nan 0.000 0.533 352 S N 2.407 118.035 115.700 -0.120 0.000 2.687 352 S HA 0.606 5.084 4.470 0.014 0.000 0.283 352 S C 0.384 174.878 174.600 -0.176 0.000 1.170 352 S CA -1.074 57.016 58.200 -0.183 0.000 1.008 352 S CB 0.948 63.934 63.200 -0.357 0.000 1.026 352 S HN 0.610 nan 8.310 nan 0.000 0.541 353 R N 0.810 121.231 120.500 -0.132 0.000 2.784 353 R HA 0.563 4.911 4.340 0.014 0.000 0.266 353 R C 0.622 176.790 176.300 -0.220 0.000 1.044 353 R CA 0.500 56.526 56.100 -0.124 0.000 1.151 353 R CB -1.409 28.872 30.300 -0.033 0.000 1.037 353 R HN 0.967 nan 8.270 nan 0.000 0.478 354 G N -0.266 108.420 108.800 -0.191 0.000 2.472 354 G HA2 -0.146 3.822 3.960 0.014 0.000 0.205 354 G HA3 -0.146 3.822 3.960 0.014 0.000 0.205 354 G C -1.500 173.264 174.900 -0.228 0.000 1.270 354 G CA -0.339 44.626 45.100 -0.226 0.000 0.974 354 G HN 0.704 nan 8.290 nan 0.000 0.542 355 V N 2.957 122.733 119.914 -0.230 0.000 2.349 355 V HA 0.538 4.666 4.120 0.014 0.000 0.284 355 V C -1.925 174.072 176.094 -0.161 0.000 1.014 355 V CA -0.899 61.283 62.300 -0.196 0.000 0.826 355 V CB 1.808 33.498 31.823 -0.221 0.000 1.009 355 V HN 0.700 nan 8.190 nan 0.000 0.431 356 P HA 0.377 nan 4.420 nan 0.000 0.276 356 P C -0.715 176.614 177.300 0.049 0.000 1.235 356 P CA -0.007 63.051 63.100 -0.070 0.000 0.772 356 P CB 1.597 33.247 31.700 -0.083 0.000 0.871 357 A N 4.748 127.655 122.820 0.145 0.000 2.331 357 A HA 0.667 4.996 4.320 0.014 0.000 0.320 357 A C -0.334 177.399 177.584 0.247 0.000 1.138 357 A CA -0.868 51.325 52.037 0.260 0.000 0.790 357 A CB 0.607 19.857 19.000 0.416 0.000 1.206 357 A HN 0.476 nan 8.150 nan 0.000 0.470 358 I N 2.348 123.042 120.570 0.207 0.000 2.354 358 I HA 0.215 4.393 4.170 0.014 0.000 0.292 358 I C -0.758 175.407 176.117 0.080 0.000 0.989 358 I CA -0.695 60.698 61.300 0.156 0.000 1.188 358 I CB 1.383 39.479 38.000 0.161 0.000 1.342 358 I HN 0.715 nan 8.210 nan 0.000 0.457 359 Y N 8.124 128.379 120.300 -0.075 0.000 2.377 359 Y HA 0.136 4.695 4.550 0.015 0.000 0.330 359 Y C -0.022 175.681 175.900 -0.329 0.000 1.108 359 Y CA -1.151 56.845 58.100 -0.173 0.000 1.308 359 Y CB 0.253 38.664 38.460 -0.082 0.000 1.216 359 Y HN 0.442 nan 8.280 nan 0.000 0.518 360 Y N 3.534 123.358 120.300 -0.794 0.000 2.805 360 Y HA 0.331 4.893 4.550 0.021 0.000 0.337 360 Y C 1.108 176.813 175.900 -0.325 0.000 1.252 360 Y CA -0.350 57.306 58.100 -0.741 0.000 1.515 360 Y CB 0.009 38.157 38.460 -0.521 0.000 1.305 360 Y HN 0.918 nan 8.280 nan 0.000 0.600 361 G N 1.590 110.350 108.800 -0.068 0.000 2.199 361 G HA2 -0.372 3.597 3.960 0.014 0.000 0.254 361 G HA3 -0.372 3.597 3.960 0.014 0.000 0.254 361 G C 1.129 175.936 174.900 -0.154 0.000 0.982 361 G CA 0.488 45.495 45.100 -0.156 0.000 0.632 361 G HN 0.782 nan 8.290 nan 0.000 0.529 362 S N 1.123 116.743 115.700 -0.134 0.000 2.383 362 S HA -0.110 4.368 4.470 0.014 0.000 0.229 362 S C 2.065 176.523 174.600 -0.237 0.000 1.030 362 S CA 1.762 59.895 58.200 -0.113 0.000 1.002 362 S CB -0.218 62.953 63.200 -0.047 0.000 0.829 362 S HN 0.874 nan 8.310 nan 0.000 0.467 363 E N 0.882 121.011 120.200 -0.119 0.000 2.478 363 E HA -0.094 4.264 4.350 0.014 0.000 0.198 363 E C 0.736 177.217 176.600 -0.199 0.000 1.046 363 E CA 0.668 56.974 56.400 -0.157 0.000 0.870 363 E CB -0.180 29.578 29.700 0.098 0.000 0.818 363 E HN 0.395 nan 8.360 nan 0.000 0.527 364 Q N -0.100 119.614 119.800 -0.143 0.000 2.179 364 Q HA 0.090 4.438 4.340 0.014 0.000 0.213 364 Q C -0.577 175.451 176.000 0.047 0.000 0.833 364 Q CA -0.468 55.322 55.803 -0.020 0.000 0.990 364 Q CB -0.244 28.502 28.738 0.013 0.000 1.132 364 Q HN 0.324 nan 8.270 nan 0.000 0.493 365 Y N -0.794 119.492 120.300 -0.023 0.000 3.168 365 Y HA -0.277 4.299 4.550 0.043 0.000 0.207 365 Y C 0.313 176.252 175.900 0.065 0.000 1.280 365 Y CA 0.177 58.228 58.100 -0.081 0.000 1.235 365 Y CB -2.402 35.889 38.460 -0.283 0.000 1.370 365 Y HN 0.212 nan 8.280 nan 0.000 0.537 366 M N 1.076 120.741 119.600 0.108 0.000 2.238 366 M HA 0.196 4.684 4.480 0.014 0.000 0.350 366 M C 0.661 177.060 176.300 0.166 0.000 1.321 366 M CA 0.703 56.052 55.300 0.081 0.000 1.097 366 M CB 0.562 33.118 32.600 -0.074 0.000 1.713 366 M HN 0.434 nan 8.290 nan 0.000 0.455 367 S N 1.780 117.570 115.700 0.150 0.000 2.648 367 S HA 1.015 5.493 4.470 0.014 0.000 0.305 367 S C -0.228 174.410 174.600 0.064 0.000 1.094 367 S CA -0.595 57.680 58.200 0.124 0.000 0.983 367 S CB 2.252 65.509 63.200 0.095 0.000 1.101 367 S HN 1.030 nan 8.310 nan 0.000 0.514 368 G N -0.840 107.991 108.800 0.052 0.000 2.386 368 G HA2 0.507 4.475 3.960 0.014 0.000 0.302 368 G HA3 0.507 4.475 3.960 0.014 0.000 0.302 368 G C -0.244 174.679 174.900 0.039 0.000 1.629 368 G CA -0.348 44.773 45.100 0.037 0.000 0.917 368 G HN 0.999 nan 8.290 nan 0.000 0.676 369 G N -0.084 108.730 108.800 0.024 0.000 2.546 369 G HA2 0.471 4.439 3.960 0.014 0.000 0.239 369 G HA3 0.471 4.439 3.960 0.014 0.000 0.239 369 G C 0.219 175.135 174.900 0.027 0.000 1.476 369 G CA -0.566 44.546 45.100 0.020 0.000 1.064 369 G HN 0.671 nan 8.290 nan 0.000 0.561 370 N N 0.493 119.201 118.700 0.014 0.000 2.424 370 N HA 0.103 4.851 4.740 0.014 0.000 0.257 370 N C -0.116 175.399 175.510 0.008 0.000 1.250 370 N CA -0.352 52.703 53.050 0.008 0.000 0.946 370 N CB 0.767 39.246 38.487 -0.013 0.000 1.175 370 N HN 0.472 nan 8.380 nan 0.000 0.477 371 D N 1.099 121.504 120.400 0.009 0.000 3.450 371 D HA -0.123 4.525 4.640 0.014 0.000 0.202 371 D C -1.472 174.847 176.300 0.032 0.000 1.070 371 D CA -0.247 53.772 54.000 0.032 0.000 0.743 371 D CB 0.546 41.360 40.800 0.024 0.000 1.157 371 D HN 0.342 nan 8.370 nan 0.000 0.557 372 P HA 0.084 nan 4.420 nan 0.000 0.257 372 P C 0.056 177.366 177.300 0.017 0.000 1.281 372 P CA -0.094 63.044 63.100 0.062 0.000 0.826 372 P CB 0.480 32.219 31.700 0.065 0.000 1.237 373 D N 1.252 121.659 120.400 0.013 0.000 2.312 373 D HA -0.089 4.559 4.640 0.014 0.000 0.211 373 D C 1.250 177.561 176.300 0.019 0.000 0.964 373 D CA 0.834 54.838 54.000 0.007 0.000 0.877 373 D CB -0.297 40.508 40.800 0.008 0.000 0.924 373 D HN 0.380 nan 8.370 nan 0.000 0.515 374 N N 0.084 118.806 118.700 0.038 0.000 2.336 374 N HA -0.035 4.714 4.740 0.014 0.000 0.189 374 N C 0.542 176.099 175.510 0.078 0.000 1.113 374 N CA 0.050 53.150 53.050 0.085 0.000 0.858 374 N CB -0.032 38.524 38.487 0.116 0.000 0.970 374 N HN -0.004 nan 8.380 nan 0.000 0.471 375 R N 0.083 120.587 120.500 0.006 0.000 2.767 375 R HA 0.451 4.799 4.340 0.014 0.000 0.377 375 R C -0.105 176.218 176.300 0.038 0.000 1.151 375 R CA -0.290 55.795 56.100 -0.025 0.000 1.046 375 R CB 0.779 30.991 30.300 -0.146 0.000 1.404 375 R HN 0.171 nan 8.270 nan 0.000 0.580 376 A N 1.182 124.016 122.820 0.024 0.000 2.386 376 A HA 0.194 4.522 4.320 0.014 0.000 0.246 376 A C 0.128 177.765 177.584 0.088 0.000 1.089 376 A CA -0.347 51.699 52.037 0.016 0.000 0.790 376 A CB 0.260 19.255 19.000 -0.009 0.000 1.042 376 A HN 0.452 nan 8.150 nan 0.000 0.497 377 R N 0.468 120.995 120.500 0.045 0.000 2.590 377 R HA 0.286 4.634 4.340 0.014 0.000 0.274 377 R C -0.007 176.333 176.300 0.066 0.000 1.061 377 R CA -0.251 55.891 56.100 0.070 0.000 1.081 377 R CB -0.009 30.294 30.300 0.005 0.000 0.984 377 R HN 0.733 nan 8.270 nan 0.000 0.448 378 L N 5.005 126.297 121.223 0.114 0.000 2.380 378 L HA 0.396 4.744 4.340 0.014 0.000 0.273 378 L C -1.879 174.846 176.870 -0.241 0.000 1.138 378 L CA -1.225 53.597 54.840 -0.030 0.000 0.832 378 L CB 1.235 43.326 42.059 0.054 0.000 1.124 378 L HN 0.627 nan 8.230 nan 0.000 0.454 379 P HA 0.098 nan 4.420 nan 0.000 0.251 379 P C -0.005 177.158 177.300 -0.229 0.000 1.223 379 P CA 0.146 63.142 63.100 -0.173 0.000 0.796 379 P CB 0.657 32.306 31.700 -0.085 0.000 1.068 380 S N -0.899 114.567 115.700 -0.390 0.000 2.558 380 S HA 0.518 4.997 4.470 0.014 0.000 0.277 380 S C -1.576 172.683 174.600 -0.567 0.000 1.143 380 S CA -0.478 57.533 58.200 -0.316 0.000 0.865 380 S CB 0.213 63.343 63.200 -0.117 0.000 1.102 380 S HN -0.180 nan 8.310 nan 0.000 0.454 381 F N 2.241 122.059 119.950 -0.220 0.000 2.881 381 F HA 0.409 4.953 4.527 0.029 0.000 0.343 381 F C 1.018 176.770 175.800 -0.079 0.000 1.233 381 F CA -0.363 57.368 58.000 -0.447 0.000 1.262 381 F CB 0.884 39.486 39.000 -0.664 0.000 0.980 381 F HN 0.484 nan 8.300 nan 0.000 0.506 382 S N 0.516 116.283 115.700 0.112 0.000 2.533 382 S HA 0.113 4.591 4.470 0.014 0.000 0.282 382 S C 1.310 175.888 174.600 -0.038 0.000 1.304 382 S CA 0.250 58.484 58.200 0.057 0.000 1.063 382 S CB 0.435 63.655 63.200 0.034 0.000 0.881 382 S HN 0.490 nan 8.310 nan 0.000 0.493 383 T N 0.452 114.840 114.554 -0.276 0.000 3.145 383 T HA 0.148 4.506 4.350 0.014 0.000 0.255 383 T C 0.934 175.253 174.700 -0.635 0.000 1.039 383 T CA 0.262 61.770 62.100 -0.985 0.000 0.928 383 T CB -0.317 68.095 68.868 -0.759 0.000 1.029 383 T HN 0.659 nan 8.240 nan 0.000 0.554 384 T N -0.662 113.753 114.554 -0.231 0.000 3.182 384 T HA 0.228 4.586 4.350 0.014 0.000 0.277 384 T C 0.765 175.485 174.700 0.032 0.000 1.013 384 T CA -0.150 61.907 62.100 -0.070 0.000 0.900 384 T CB -0.340 68.504 68.868 -0.039 0.000 1.098 384 T HN 0.501 nan 8.240 nan 0.000 0.543 385 T N -0.196 114.408 114.554 0.084 0.000 2.900 385 T HA 0.184 4.542 4.350 0.014 0.000 0.307 385 T C 1.432 176.257 174.700 0.209 0.000 1.065 385 T CA -0.082 62.138 62.100 0.201 0.000 1.105 385 T CB 0.944 69.987 68.868 0.293 0.000 0.979 385 T HN 0.086 nan 8.240 nan 0.000 0.544 386 T N 2.024 116.712 114.554 0.225 0.000 2.759 386 T HA -0.070 4.289 4.350 0.014 0.000 0.269 386 T C 2.376 177.174 174.700 0.164 0.000 1.042 386 T CA 1.324 63.529 62.100 0.174 0.000 1.140 386 T CB -0.714 68.248 68.868 0.157 0.000 0.864 386 T HN 0.831 nan 8.240 nan 0.000 0.455 387 A N 0.375 123.303 122.820 0.179 0.000 1.902 387 A HA -0.089 4.240 4.320 0.014 0.000 0.217 387 A C 2.065 179.663 177.584 0.024 0.000 1.181 387 A CA 1.383 53.416 52.037 -0.006 0.000 0.623 387 A CB -1.012 17.774 19.000 -0.357 0.000 0.818 387 A HN 0.607 nan 8.150 nan 0.000 0.443 388 Y N 0.383 120.657 120.300 -0.043 0.000 2.181 388 Y HA -0.260 4.296 4.550 0.009 0.000 0.288 388 Y C 2.604 178.481 175.900 -0.039 0.000 1.146 388 Y CA 2.327 60.402 58.100 -0.041 0.000 1.164 388 Y CB -0.185 38.268 38.460 -0.012 0.000 0.982 388 Y HN 0.416 nan 8.280 nan 0.000 0.515 389 Q N -0.990 118.950 119.800 0.232 0.000 2.167 389 Q HA -0.161 4.187 4.340 0.014 0.000 0.202 389 Q C 2.289 178.305 176.000 0.025 0.000 0.970 389 Q CA 1.611 57.492 55.803 0.130 0.000 0.855 389 Q CB -0.146 28.660 28.738 0.113 0.000 0.911 389 Q HN 0.377 nan 8.270 nan 0.000 0.438 390 V N 0.950 120.869 119.914 0.008 0.000 2.295 390 V HA -0.267 3.862 4.120 0.014 0.000 0.246 390 V C 2.067 178.118 176.094 -0.072 0.000 1.049 390 V CA 1.638 63.919 62.300 -0.032 0.000 1.024 390 V CB -0.379 31.427 31.823 -0.029 0.000 0.648 390 V HN 0.346 nan 8.190 nan 0.000 0.447 391 I N -0.334 120.170 120.570 -0.110 0.000 2.252 391 I HA -0.285 3.893 4.170 0.014 0.000 0.245 391 I C 2.624 178.638 176.117 -0.171 0.000 1.102 391 I CA 1.746 62.955 61.300 -0.152 0.000 1.385 391 I CB -0.438 37.436 38.000 -0.210 0.000 1.064 391 I HN 0.367 nan 8.210 nan 0.000 0.414 392 Q N 1.503 121.185 119.800 -0.197 0.000 2.135 392 Q HA -0.247 4.101 4.340 0.014 0.000 0.204 392 Q C 2.077 178.026 176.000 -0.086 0.000 0.981 392 Q CA 1.703 57.414 55.803 -0.153 0.000 0.856 392 Q CB 0.105 28.791 28.738 -0.087 0.000 0.902 392 Q HN 0.442 nan 8.270 nan 0.000 0.425 393 K N -0.393 119.968 120.400 -0.065 0.000 2.167 393 K HA 0.010 4.338 4.320 0.014 0.000 0.203 393 K C 1.935 178.495 176.600 -0.067 0.000 1.052 393 K CA 0.766 57.021 56.287 -0.053 0.000 0.956 393 K CB 0.240 32.715 32.500 -0.042 0.000 0.735 393 K HN 0.237 nan 8.250 nan 0.000 0.451 394 L N -0.406 120.769 121.223 -0.079 0.000 2.357 394 L HA 0.125 4.474 4.340 0.014 0.000 0.211 394 L C 2.390 179.207 176.870 -0.090 0.000 1.075 394 L CA 0.263 55.053 54.840 -0.083 0.000 0.830 394 L CB -0.291 41.719 42.059 -0.082 0.000 0.996 394 L HN 0.090 nan 8.230 nan 0.000 0.467 395 A N 1.404 124.166 122.820 -0.097 0.000 1.892 395 A HA -0.148 4.181 4.320 0.014 0.000 0.218 395 A C -0.167 177.356 177.584 -0.101 0.000 1.188 395 A CA 1.853 53.830 52.037 -0.101 0.000 0.631 395 A CB -1.812 17.122 19.000 -0.110 0.000 0.822 395 A HN 0.262 nan 8.150 nan 0.000 0.447 396 P HA -0.091 nan 4.420 nan 0.000 0.220 396 P C 1.058 178.303 177.300 -0.092 0.000 1.148 396 P CA 0.545 63.592 63.100 -0.088 0.000 0.803 396 P CB -0.046 31.610 31.700 -0.072 0.000 0.782 397 L N -0.787 120.382 121.223 -0.090 0.000 2.265 397 L HA -0.091 4.257 4.340 0.014 0.000 0.215 397 L C 2.222 179.020 176.870 -0.120 0.000 1.117 397 L CA 1.597 56.383 54.840 -0.090 0.000 0.782 397 L CB -1.012 40.999 42.059 -0.080 0.000 0.914 397 L HN -0.043 nan 8.230 nan 0.000 0.441 398 R N -1.022 119.392 120.500 -0.143 0.000 2.193 398 R HA -0.046 4.303 4.340 0.014 0.000 0.213 398 R C 1.822 177.989 176.300 -0.222 0.000 1.055 398 R CA 0.441 56.421 56.100 -0.199 0.000 0.995 398 R CB -0.028 30.152 30.300 -0.200 0.000 0.893 398 R HN 0.240 nan 8.270 nan 0.000 0.459 399 K N 0.256 120.557 120.400 -0.166 0.000 2.128 399 K HA 0.022 4.350 4.320 0.014 0.000 0.202 399 K C 2.157 178.685 176.600 -0.121 0.000 1.050 399 K CA 1.453 57.651 56.287 -0.148 0.000 0.966 399 K CB 0.043 32.471 32.500 -0.119 0.000 0.759 399 K HN 0.140 nan 8.250 nan 0.000 0.454 400 S N 0.476 116.115 115.700 -0.103 0.000 2.439 400 S HA 0.025 4.503 4.470 0.014 0.000 0.224 400 S C 0.864 175.419 174.600 -0.074 0.000 1.029 400 S CA 0.054 58.207 58.200 -0.078 0.000 0.946 400 S CB -0.101 63.060 63.200 -0.064 0.000 0.797 400 S HN 0.058 nan 8.310 nan 0.000 0.504 401 N N 2.654 121.302 118.700 -0.087 0.000 2.511 401 N HA 0.377 5.125 4.740 0.014 0.000 0.249 401 N C -2.258 173.193 175.510 -0.097 0.000 0.971 401 N CA -2.346 50.666 53.050 -0.065 0.000 0.938 401 N CB 1.890 40.349 38.487 -0.047 0.000 1.131 401 N HN 0.036 nan 8.380 nan 0.000 0.505 402 P HA -0.053 nan 4.420 nan 0.000 0.230 402 P C 0.804 178.024 177.300 -0.134 0.000 1.158 402 P CA 0.532 63.549 63.100 -0.138 0.000 0.769 402 P CB 0.350 32.101 31.700 0.085 0.000 0.807 403 A N 0.113 122.965 122.820 0.053 0.000 1.969 403 A HA -0.099 4.230 4.320 0.014 0.000 0.218 403 A C 2.275 179.863 177.584 0.006 0.000 1.169 403 A CA 1.036 53.148 52.037 0.126 0.000 0.635 403 A CB -1.275 17.817 19.000 0.153 0.000 0.810 403 A HN 0.136 nan 8.150 nan 0.000 0.445 404 I N -0.688 119.839 120.570 -0.073 0.000 2.333 404 I HA -0.155 4.023 4.170 0.014 0.000 0.246 404 I C 2.908 178.884 176.117 -0.236 0.000 1.106 404 I CA 0.887 62.123 61.300 -0.107 0.000 1.411 404 I CB -0.282 37.657 38.000 -0.101 0.000 1.082 404 I HN 0.333 nan 8.210 nan 0.000 0.420 405 A N 0.031 122.601 122.820 -0.417 0.000 1.930 405 A HA -0.165 4.163 4.320 0.014 0.000 0.217 405 A C 1.681 178.761 177.584 -0.839 0.000 1.175 405 A CA 1.616 53.218 52.037 -0.726 0.000 0.627 405 A CB -0.499 17.842 19.000 -1.098 0.000 0.815 405 A HN 0.561 nan 8.150 nan 0.000 0.443 406 Y N -1.635 118.450 120.300 -0.358 0.000 2.540 406 Y HA 0.329 4.888 4.550 0.015 0.000 0.257 406 Y C 1.540 177.356 175.900 -0.140 0.000 1.090 406 Y CA -0.554 57.307 58.100 -0.399 0.000 1.242 406 Y CB 0.134 37.998 38.460 -0.994 0.000 1.325 406 Y HN 0.294 nan 8.280 nan 0.000 0.544 407 G N 1.111 109.961 108.800 0.084 0.000 2.606 407 G HA2 0.312 4.281 3.960 0.014 0.000 0.252 407 G HA3 0.312 4.281 3.960 0.014 0.000 0.252 407 G C 0.144 175.170 174.900 0.210 0.000 1.206 407 G CA -0.242 45.014 45.100 0.259 0.000 0.861 407 G HN 0.201 nan 8.290 nan 0.000 0.561 408 S N -0.600 115.239 115.700 0.231 0.000 2.584 408 S HA 0.437 4.915 4.470 0.014 0.000 0.270 408 S C 0.136 174.852 174.600 0.194 0.000 1.346 408 S CA -0.317 57.991 58.200 0.181 0.000 1.018 408 S CB 1.187 64.478 63.200 0.152 0.000 0.899 408 S HN 0.554 nan 8.310 nan 0.000 0.542 409 T N 2.002 116.667 114.554 0.185 0.000 2.797 409 T HA 0.450 4.808 4.350 0.014 0.000 0.279 409 T C -0.961 173.908 174.700 0.282 0.000 0.991 409 T CA -0.322 61.913 62.100 0.225 0.000 0.979 409 T CB 0.745 69.702 68.868 0.147 0.000 0.943 409 T HN 0.795 nan 8.240 nan 0.000 0.444 410 H N 2.123 121.309 119.070 0.194 0.000 3.013 410 H HA 0.305 4.869 4.556 0.014 0.000 0.326 410 H C -0.557 174.897 175.328 0.210 0.000 0.973 410 H CA -0.879 55.271 56.048 0.171 0.000 1.369 410 H CB 1.078 30.931 29.762 0.152 0.000 1.598 410 H HN 0.539 nan 8.280 nan 0.000 0.518 411 E N 4.319 124.681 120.200 0.270 0.000 2.344 411 E HA 0.076 4.435 4.350 0.014 0.000 0.270 411 E C -0.021 176.586 176.600 0.013 0.000 1.021 411 E CA -0.137 56.364 56.400 0.168 0.000 0.887 411 E CB 0.531 30.320 29.700 0.149 0.000 0.997 411 E HN 0.665 nan 8.360 nan 0.000 0.429 412 R N 3.306 123.817 120.500 0.018 0.000 2.287 412 R HA 0.134 4.482 4.340 0.014 0.000 0.197 412 R C -0.186 176.227 176.300 0.190 0.000 0.900 412 R CA 0.180 56.279 56.100 -0.002 0.000 1.052 412 R CB 0.427 30.715 30.300 -0.020 0.000 1.117 412 R HN 0.579 nan 8.270 nan 0.000 0.568 413 W N 0.075 121.386 121.300 0.018 0.000 3.372 413 W HA 0.615 5.283 4.660 0.013 0.000 0.315 413 W C -1.613 174.906 176.519 -0.001 0.000 1.223 413 W CA -0.597 56.757 57.345 0.016 0.000 1.202 413 W CB 1.325 30.798 29.460 0.022 0.000 1.367 413 W HN -0.172 nan 8.180 nan 0.000 0.531 414 I N 5.295 125.641 120.570 -0.373 0.000 2.882 414 I HA 0.425 4.603 4.170 0.014 0.000 0.298 414 I C -1.334 174.411 176.117 -0.620 0.000 1.462 414 I CA -0.525 60.571 61.300 -0.340 0.000 1.000 414 I CB 1.843 39.620 38.000 -0.372 0.000 1.340 414 I HN 0.754 nan 8.210 nan 0.000 0.462 415 N N 2.655 121.121 118.700 -0.389 0.000 3.449 415 N HA 0.330 5.078 4.740 0.014 0.000 0.312 415 N C -0.635 174.771 175.510 -0.174 0.000 1.582 415 N CA -0.828 52.095 53.050 -0.213 0.000 0.850 415 N CB 0.530 38.964 38.487 -0.089 0.000 1.822 415 N HN 0.361 nan 8.380 nan 0.000 0.577 416 N N 0.005 118.727 118.700 0.038 0.000 2.149 416 N HA -0.089 4.659 4.740 0.014 0.000 0.188 416 N C -0.087 175.404 175.510 -0.031 0.000 1.019 416 N CA 1.479 54.553 53.050 0.041 0.000 0.857 416 N CB -0.348 38.187 38.487 0.080 0.000 0.997 416 N HN 0.455 nan 8.380 nan 0.000 0.426 417 D N -0.845 119.558 120.400 0.005 0.000 2.433 417 D HA 0.163 4.811 4.640 0.014 0.000 0.211 417 D C -0.370 175.964 176.300 0.056 0.000 1.114 417 D CA 0.139 54.149 54.000 0.017 0.000 0.837 417 D CB 1.346 42.175 40.800 0.049 0.000 0.984 417 D HN -0.097 nan 8.370 nan 0.000 0.505 418 V N 1.821 121.792 119.914 0.095 0.000 2.588 418 V HA 0.463 4.591 4.120 0.014 0.000 0.304 418 V C -0.440 175.758 176.094 0.175 0.000 1.042 418 V CA -0.865 61.548 62.300 0.189 0.000 0.877 418 V CB 2.991 35.018 31.823 0.340 0.000 0.996 418 V HN -0.065 nan 8.190 nan 0.000 0.425 419 I N 5.157 125.847 120.570 0.201 0.000 2.647 419 I HA 0.613 4.791 4.170 0.014 0.000 0.295 419 I C -1.364 174.941 176.117 0.314 0.000 1.078 419 I CA -0.761 60.675 61.300 0.226 0.000 1.048 419 I CB 1.928 40.037 38.000 0.181 0.000 1.239 419 I HN 0.557 nan 8.210 nan 0.000 0.421 420 I N 8.178 128.947 120.570 0.332 0.000 2.411 420 I HA 0.311 4.489 4.170 0.014 0.000 0.284 420 I C -1.266 175.007 176.117 0.261 0.000 1.012 420 I CA -0.651 60.800 61.300 0.252 0.000 1.119 420 I CB 1.271 39.446 38.000 0.291 0.000 1.261 420 I HN 0.456 nan 8.210 nan 0.000 0.448 421 Y N 3.220 123.621 120.300 0.168 0.000 2.549 421 Y HA 0.750 5.307 4.550 0.012 0.000 0.339 421 Y C -0.554 175.418 175.900 0.120 0.000 1.053 421 Y CA -1.375 56.807 58.100 0.137 0.000 1.105 421 Y CB 1.035 39.602 38.460 0.179 0.000 1.258 421 Y HN 0.473 nan 8.280 nan 0.000 0.478 422 E N 2.184 122.541 120.200 0.262 0.000 2.222 422 E HA 0.461 4.819 4.350 0.014 0.000 0.267 422 E C -1.151 175.620 176.600 0.286 0.000 0.884 422 E CA -1.147 55.365 56.400 0.187 0.000 0.764 422 E CB 1.030 30.793 29.700 0.104 0.000 1.169 422 E HN 0.618 nan 8.360 nan 0.000 0.413 423 R N 3.451 124.089 120.500 0.230 0.000 2.393 423 R HA 0.421 4.769 4.340 0.014 0.000 0.310 423 R C -0.687 175.733 176.300 0.201 0.000 0.968 423 R CA -0.578 55.654 56.100 0.220 0.000 0.867 423 R CB 1.358 31.762 30.300 0.173 0.000 1.124 423 R HN 0.498 nan 8.270 nan 0.000 0.450 424 K N 2.536 123.071 120.400 0.225 0.000 2.535 424 K HA 0.418 4.746 4.320 0.014 0.000 0.250 424 K C -1.818 174.959 176.600 0.295 0.000 0.948 424 K CA -0.575 55.847 56.287 0.225 0.000 0.796 424 K CB 1.318 33.937 32.500 0.199 0.000 1.216 424 K HN 0.392 nan 8.250 nan 0.000 0.432 425 F N 4.408 124.417 119.950 0.098 0.000 2.671 425 F HA 0.433 4.969 4.527 0.014 0.000 0.332 425 F C 0.389 176.229 175.800 0.067 0.000 1.189 425 F CA 0.669 58.724 58.000 0.092 0.000 0.988 425 F CB 1.293 40.367 39.000 0.122 0.000 1.258 425 F HN 0.857 nan 8.300 nan 0.000 0.471 426 G N 5.406 114.020 108.800 -0.310 0.000 2.596 426 G HA2 -0.370 3.599 3.960 0.014 0.000 0.304 426 G HA3 -0.370 3.599 3.960 0.014 0.000 0.304 426 G C 0.539 175.425 174.900 -0.024 0.000 1.189 426 G CA 0.504 45.472 45.100 -0.221 0.000 0.986 426 G HN 0.644 nan 8.290 nan 0.000 0.548 427 N N 2.487 121.209 118.700 0.037 0.000 2.238 427 N HA 0.109 4.858 4.740 0.014 0.000 0.222 427 N C -0.095 175.538 175.510 0.204 0.000 1.133 427 N CA -0.044 53.082 53.050 0.127 0.000 0.854 427 N CB 0.021 38.598 38.487 0.149 0.000 1.041 427 N HN 0.470 nan 8.380 nan 0.000 0.510 428 N N 0.811 119.610 118.700 0.165 0.000 2.498 428 N HA 0.295 5.044 4.740 0.014 0.000 0.287 428 N C -0.512 175.115 175.510 0.194 0.000 1.097 428 N CA -0.015 53.131 53.050 0.159 0.000 0.973 428 N CB 2.439 41.017 38.487 0.152 0.000 1.153 428 N HN -0.225 nan 8.380 nan 0.000 0.472 429 V N 0.382 120.411 119.914 0.191 0.000 2.925 429 V HA 0.758 4.887 4.120 0.014 0.000 0.311 429 V C -0.650 175.514 176.094 0.116 0.000 1.104 429 V CA -0.889 61.507 62.300 0.161 0.000 0.954 429 V CB 1.877 33.790 31.823 0.151 0.000 1.022 429 V HN 0.810 nan 8.190 nan 0.000 0.427 430 A N 2.969 125.843 122.820 0.089 0.000 2.422 430 A HA 0.934 5.262 4.320 0.014 0.000 0.302 430 A C -1.428 176.172 177.584 0.027 0.000 1.041 430 A CA -0.581 51.483 52.037 0.045 0.000 0.708 430 A CB 2.047 21.062 19.000 0.025 0.000 1.257 430 A HN 0.750 nan 8.150 nan 0.000 0.414 431 V N 2.134 122.051 119.914 0.006 0.000 2.588 431 V HA 0.591 4.719 4.120 0.014 0.000 0.304 431 V C -0.721 175.277 176.094 -0.159 0.000 1.042 431 V CA -0.513 61.792 62.300 0.007 0.000 0.877 431 V CB 1.803 33.735 31.823 0.181 0.000 0.996 431 V HN 0.732 nan 8.190 nan 0.000 0.425 432 V N 3.453 123.122 119.914 -0.410 0.000 2.531 432 V HA 0.838 4.966 4.120 0.014 0.000 0.301 432 V C 0.111 175.953 176.094 -0.419 0.000 1.034 432 V CA -0.571 61.385 62.300 -0.573 0.000 0.865 432 V CB 1.801 33.112 31.823 -0.853 0.000 0.995 432 V HN 0.993 nan 8.190 nan 0.000 0.424 433 A N 6.358 129.003 122.820 -0.293 0.000 2.303 433 A HA 0.933 5.261 4.320 0.014 0.000 0.320 433 A C -0.812 176.771 177.584 -0.000 0.000 1.192 433 A CA -0.456 51.572 52.037 -0.015 0.000 0.821 433 A CB 0.673 19.790 19.000 0.195 0.000 1.188 433 A HN 0.782 nan 8.150 nan 0.000 0.492 434 I N 2.378 123.018 120.570 0.118 0.000 2.499 434 I HA 0.275 4.454 4.170 0.014 0.000 0.288 434 I C -0.671 175.550 176.117 0.174 0.000 1.048 434 I CA -0.706 60.684 61.300 0.150 0.000 1.062 434 I CB 2.315 40.466 38.000 0.252 0.000 1.238 434 I HN 0.654 nan 8.210 nan 0.000 0.426 435 N N 5.473 124.261 118.700 0.148 0.000 2.558 435 N HA 0.247 4.995 4.740 0.014 0.000 0.242 435 N C 0.744 176.345 175.510 0.151 0.000 0.979 435 N CA -0.777 52.355 53.050 0.137 0.000 0.931 435 N CB 0.873 39.425 38.487 0.108 0.000 1.122 435 N HN 0.603 nan 8.380 nan 0.000 0.508 436 R N 1.978 122.580 120.500 0.170 0.000 2.276 436 R HA 0.077 4.425 4.340 0.014 0.000 0.203 436 R C 0.085 176.460 176.300 0.126 0.000 1.017 436 R CA 0.120 56.336 56.100 0.193 0.000 1.010 436 R CB -0.106 30.302 30.300 0.180 0.000 0.900 436 R HN 0.266 nan 8.270 nan 0.000 0.469 437 N N 1.347 120.104 118.700 0.095 0.000 2.411 437 N HA 0.015 4.763 4.740 0.014 0.000 0.259 437 N C 0.369 175.925 175.510 0.076 0.000 1.103 437 N CA -0.058 53.036 53.050 0.074 0.000 0.954 437 N CB 0.943 39.468 38.487 0.063 0.000 1.085 437 N HN 0.147 nan 8.380 nan 0.000 0.485 438 M N 2.880 122.523 119.600 0.072 0.000 2.595 438 M HA 0.017 4.505 4.480 0.014 0.000 0.248 438 M C 0.291 176.623 176.300 0.054 0.000 1.119 438 M CA 0.754 56.095 55.300 0.068 0.000 1.079 438 M CB -0.831 31.812 32.600 0.071 0.000 1.472 438 M HN 0.508 nan 8.290 nan 0.000 0.501 439 N N -0.756 117.973 118.700 0.048 0.000 2.239 439 N HA 0.047 4.795 4.740 0.014 0.000 0.208 439 N C -0.507 175.027 175.510 0.039 0.000 1.200 439 N CA 0.134 53.208 53.050 0.040 0.000 0.895 439 N CB 0.892 39.399 38.487 0.034 0.000 1.085 439 N HN 0.042 nan 8.380 nan 0.000 0.500 440 T N 2.522 117.102 114.554 0.044 0.000 2.809 440 T HA 0.369 4.728 4.350 0.014 0.000 0.284 440 T C -2.749 171.979 174.700 0.046 0.000 0.992 440 T CA -1.540 60.585 62.100 0.042 0.000 0.957 440 T CB 2.423 71.316 68.868 0.042 0.000 0.942 440 T HN -0.114 nan 8.240 nan 0.000 0.439 441 P HA 0.432 nan 4.420 nan 0.000 0.271 441 P C -1.193 176.123 177.300 0.027 0.000 1.244 441 P CA -0.534 62.588 63.100 0.037 0.000 0.793 441 P CB 0.568 32.287 31.700 0.032 0.000 0.984 442 A N 0.679 123.499 122.820 0.000 0.000 2.374 442 A HA 0.521 4.849 4.320 0.014 0.000 0.305 442 A C -0.370 177.125 177.584 -0.148 0.000 1.053 442 A CA -0.493 51.526 52.037 -0.030 0.000 0.726 442 A CB 0.820 19.811 19.000 -0.015 0.000 1.229 442 A HN 0.349 nan 8.150 nan 0.000 0.431 443 S N 2.719 118.334 115.700 -0.140 0.000 2.411 443 S HA 0.402 4.881 4.470 0.014 0.000 0.294 443 S C -0.077 174.272 174.600 -0.419 0.000 1.115 443 S CA -0.371 57.691 58.200 -0.231 0.000 1.071 443 S CB 0.033 63.171 63.200 -0.102 0.000 0.967 443 S HN 0.486 nan 8.310 nan 0.000 0.488 444 I N 4.654 124.746 120.570 -0.797 0.000 2.297 444 I HA 0.272 4.450 4.170 0.014 0.000 0.291 444 I C 0.713 176.400 176.117 -0.717 0.000 1.033 444 I CA -0.413 60.174 61.300 -1.188 0.000 1.253 444 I CB -0.054 36.861 38.000 -1.807 0.000 1.396 444 I HN 0.538 nan 8.210 nan 0.000 0.476 445 T N 0.719 115.059 114.554 -0.356 0.000 2.824 445 T HA 0.686 5.044 4.350 0.014 0.000 0.282 445 T C 0.657 175.402 174.700 0.075 0.000 0.993 445 T CA -0.182 61.857 62.100 -0.101 0.000 0.967 445 T CB 2.003 70.870 68.868 -0.001 0.000 0.960 445 T HN 1.003 nan 8.240 nan 0.000 0.441 446 G N 1.192 110.027 108.800 0.058 0.000 2.144 446 G HA2 -0.173 3.796 3.960 0.014 0.000 0.218 446 G HA3 -0.173 3.796 3.960 0.014 0.000 0.218 446 G C -0.173 174.837 174.900 0.184 0.000 0.988 446 G CA -0.165 45.025 45.100 0.151 0.000 0.659 446 G HN 1.071 nan 8.290 nan 0.000 0.522 447 L N 1.658 122.924 121.223 0.073 0.000 2.410 447 L HA 0.630 4.979 4.340 0.014 0.000 0.273 447 L C 0.277 177.196 176.870 0.082 0.000 1.144 447 L CA -0.297 54.604 54.840 0.102 0.000 0.863 447 L CB 1.266 43.335 42.059 0.017 0.000 1.140 447 L HN 0.103 nan 8.230 nan 0.000 0.463 448 V N 4.750 124.719 119.914 0.093 0.000 2.555 448 V HA 0.744 4.872 4.120 0.014 0.000 0.302 448 V C 0.259 176.374 176.094 0.034 0.000 1.038 448 V CA -0.059 62.274 62.300 0.054 0.000 0.887 448 V CB 1.822 33.685 31.823 0.067 0.000 0.991 448 V HN 0.983 nan 8.190 nan 0.000 0.434 449 T N 0.196 114.754 114.554 0.007 0.000 2.864 449 T HA 0.386 4.745 4.350 0.014 0.000 0.289 449 T C 0.345 175.046 174.700 0.000 0.000 1.082 449 T CA -0.464 61.632 62.100 -0.008 0.000 1.009 449 T CB 1.924 70.757 68.868 -0.059 0.000 1.234 449 T HN 0.335 nan 8.240 nan 0.000 0.526 450 S N 0.262 115.970 115.700 0.013 0.000 2.634 450 S HA 0.299 4.777 4.470 0.014 0.000 0.221 450 S C 0.573 175.146 174.600 -0.046 0.000 0.952 450 S CA -0.498 57.713 58.200 0.017 0.000 0.930 450 S CB -0.719 62.523 63.200 0.070 0.000 0.780 450 S HN 0.477 nan 8.310 nan 0.000 0.498 451 L N 2.455 123.607 121.223 -0.118 0.000 2.426 451 L HA 0.275 4.623 4.340 0.014 0.000 0.271 451 L C -2.287 174.486 176.870 -0.162 0.000 1.169 451 L CA -2.096 52.608 54.840 -0.228 0.000 0.836 451 L CB -0.048 41.700 42.059 -0.519 0.000 1.112 451 L HN -0.079 nan 8.230 nan 0.000 0.465 452 P HA -0.013 nan 4.420 nan 0.000 0.269 452 P C -0.597 176.709 177.300 0.011 0.000 1.217 452 P CA -0.295 62.702 63.100 -0.172 0.000 0.783 452 P CB 0.373 31.826 31.700 -0.412 0.000 0.898 453 R N 1.518 122.006 120.500 -0.020 0.000 2.585 453 R HA 0.381 4.730 4.340 0.014 0.000 0.275 453 R C 0.233 176.521 176.300 -0.020 0.000 1.018 453 R CA 1.053 57.153 56.100 -0.001 0.000 1.072 453 R CB -0.724 29.561 30.300 -0.024 0.000 0.953 453 R HN 0.785 nan 8.270 nan 0.000 0.419 454 G N 1.341 110.120 108.800 -0.036 0.000 2.359 454 G HA2 0.037 4.005 3.960 0.014 0.000 0.293 454 G HA3 0.037 4.005 3.960 0.014 0.000 0.293 454 G C -1.675 173.065 174.900 -0.266 0.000 1.300 454 G CA -0.762 44.225 45.100 -0.190 0.000 0.888 454 G HN 0.550 nan 8.290 nan 0.000 0.541 455 S N -0.685 114.777 115.700 -0.397 0.000 2.501 455 S HA 0.762 5.240 4.470 0.014 0.000 0.301 455 S C -1.508 172.781 174.600 -0.518 0.000 1.096 455 S CA -0.293 57.720 58.200 -0.312 0.000 1.063 455 S CB 1.170 64.264 63.200 -0.178 0.000 1.042 455 S HN 0.458 nan 8.310 nan 0.000 0.494 456 Y N 1.695 121.929 120.300 -0.109 0.000 2.331 456 Y HA 0.351 4.909 4.550 0.013 0.000 0.334 456 Y C 0.364 176.324 175.900 0.099 0.000 0.960 456 Y CA -0.890 57.212 58.100 0.003 0.000 1.130 456 Y CB 0.975 39.424 38.460 -0.019 0.000 1.164 456 Y HN 0.615 nan 8.280 nan 0.000 0.458 457 N N 1.541 120.376 118.700 0.226 0.000 2.508 457 N HA 0.041 4.790 4.740 0.014 0.000 0.264 457 N C -0.913 174.803 175.510 0.343 0.000 1.216 457 N CA -0.449 52.730 53.050 0.215 0.000 0.943 457 N CB 0.445 39.000 38.487 0.113 0.000 1.113 457 N HN 0.567 nan 8.380 nan 0.000 0.447 458 D N 0.760 121.314 120.400 0.257 0.000 2.434 458 D HA -0.051 4.597 4.640 0.014 0.000 0.252 458 D C 1.135 177.419 176.300 -0.027 0.000 1.185 458 D CA -0.399 53.602 54.000 0.001 0.000 0.886 458 D CB 0.815 41.592 40.800 -0.038 0.000 1.148 458 D HN 0.351 nan 8.370 nan 0.000 0.483 459 V N 2.648 122.517 119.914 -0.076 0.000 2.970 459 V HA -0.067 4.061 4.120 0.014 0.000 0.260 459 V C 1.796 177.856 176.094 -0.057 0.000 1.100 459 V CA 0.983 63.259 62.300 -0.040 0.000 1.122 459 V CB -0.784 31.015 31.823 -0.040 0.000 0.721 459 V HN 0.598 nan 8.190 nan 0.000 0.483 460 L N 1.551 122.719 121.223 -0.093 0.000 2.610 460 L HA 0.359 4.707 4.340 0.014 0.000 0.232 460 L C 1.988 178.836 176.870 -0.036 0.000 1.149 460 L CA 0.790 55.588 54.840 -0.070 0.000 0.872 460 L CB -0.889 41.113 42.059 -0.095 0.000 0.992 460 L HN 0.618 nan 8.230 nan 0.000 0.447 461 G N 0.011 108.798 108.800 -0.022 0.000 2.225 461 G HA2 -0.265 3.703 3.960 0.014 0.000 0.267 461 G HA3 -0.265 3.703 3.960 0.014 0.000 0.267 461 G C 0.994 175.896 174.900 0.005 0.000 1.024 461 G CA 0.343 45.443 45.100 0.000 0.000 0.784 461 G HN 0.692 nan 8.290 nan 0.000 0.507 462 G N -0.774 108.024 108.800 -0.003 0.000 2.184 462 G HA2 -0.294 3.674 3.960 0.014 0.000 0.264 462 G HA3 -0.294 3.674 3.960 0.014 0.000 0.264 462 G C 1.321 176.224 174.900 0.004 0.000 0.975 462 G CA 1.160 46.264 45.100 0.006 0.000 0.642 462 G HN 1.979 nan 8.290 nan 0.000 0.536 463 I N -2.119 118.450 120.570 -0.001 0.000 2.614 463 I HA 0.253 4.432 4.170 0.014 0.000 0.258 463 I C 1.628 177.751 176.117 0.010 0.000 1.189 463 I CA 1.046 62.352 61.300 0.010 0.000 1.462 463 I CB -0.159 37.850 38.000 0.015 0.000 1.092 463 I HN 0.180 nan 8.210 nan 0.000 0.442 464 L N 2.356 123.577 121.223 -0.004 0.000 3.034 464 L HA 0.326 4.674 4.340 0.014 0.000 0.245 464 L C -0.029 176.845 176.870 0.006 0.000 1.295 464 L CA -0.214 54.627 54.840 0.001 0.000 1.068 464 L CB -0.651 41.398 42.059 -0.017 0.000 1.426 464 L HN 0.301 nan 8.230 nan 0.000 0.531 465 N N 0.407 119.117 118.700 0.015 0.000 2.741 465 N HA -0.141 4.608 4.740 0.014 0.000 0.250 465 N C 0.607 176.138 175.510 0.036 0.000 1.115 465 N CA 0.949 54.017 53.050 0.030 0.000 0.724 465 N CB -0.961 37.551 38.487 0.042 0.000 1.090 465 N HN 0.602 nan 8.380 nan 0.000 0.558 466 G N 0.089 108.894 108.800 0.008 0.000 2.616 466 G HA2 0.479 4.448 3.960 0.014 0.000 0.268 466 G HA3 0.479 4.448 3.960 0.014 0.000 0.268 466 G C 0.352 175.293 174.900 0.068 0.000 1.213 466 G CA 0.062 45.165 45.100 0.005 0.000 0.926 466 G HN 0.556 nan 8.290 nan 0.000 0.523 467 N N -2.358 116.432 118.700 0.150 0.000 2.774 467 N HA 0.471 5.219 4.740 0.014 0.000 0.264 467 N C -0.886 174.779 175.510 0.258 0.000 1.415 467 N CA -0.826 52.314 53.050 0.151 0.000 0.815 467 N CB 1.285 39.838 38.487 0.111 0.000 1.514 467 N HN 0.335 nan 8.380 nan 0.000 0.523 468 T N 0.812 115.428 114.554 0.102 0.000 2.884 468 T HA 0.279 4.637 4.350 0.014 0.000 0.298 468 T C -0.465 174.082 174.700 -0.255 0.000 0.998 468 T CA -0.169 61.954 62.100 0.038 0.000 1.124 468 T CB 0.200 69.063 68.868 -0.008 0.000 0.931 468 T HN 0.400 nan 8.240 nan 0.000 0.531 469 L N 3.539 124.427 121.223 -0.559 0.000 2.295 469 L HA 0.462 4.810 4.340 0.014 0.000 0.285 469 L C 0.024 176.671 176.870 -0.372 0.000 1.035 469 L CA 0.005 54.315 54.840 -0.884 0.000 0.806 469 L CB 1.545 42.576 42.059 -1.713 0.000 1.214 469 L HN 0.582 nan 8.230 nan 0.000 0.426 470 T N 4.430 118.822 114.554 -0.271 0.000 2.756 470 T HA 0.502 4.861 4.350 0.014 0.000 0.290 470 T C -0.527 174.120 174.700 -0.089 0.000 0.985 470 T CA -0.331 61.694 62.100 -0.126 0.000 0.955 470 T CB 1.025 69.836 68.868 -0.095 0.000 0.930 470 T HN 0.303 nan 8.240 nan 0.000 0.451 471 V N 3.456 123.362 119.914 -0.014 0.000 2.435 471 V HA 0.705 4.833 4.120 0.014 0.000 0.290 471 V C 0.927 177.018 176.094 -0.004 0.000 1.030 471 V CA -0.417 61.880 62.300 -0.006 0.000 0.881 471 V CB 1.642 33.499 31.823 0.058 0.000 0.983 471 V HN 0.994 nan 8.190 nan 0.000 0.445 472 G N 2.692 111.484 108.800 -0.015 0.000 2.695 472 G HA2 0.663 4.631 3.960 0.014 0.000 0.213 472 G HA3 0.663 4.631 3.960 0.014 0.000 0.213 472 G C -0.019 174.875 174.900 -0.011 0.000 1.406 472 G CA -0.135 44.957 45.100 -0.013 0.000 1.049 472 G HN 1.018 nan 8.290 nan 0.000 0.573 473 A N -1.856 120.958 122.820 -0.009 0.000 2.407 473 A HA 0.537 4.865 4.320 0.014 0.000 0.248 473 A C 1.379 178.961 177.584 -0.003 0.000 1.082 473 A CA 0.958 52.990 52.037 -0.008 0.000 0.785 473 A CB -0.219 18.778 19.000 -0.005 0.000 1.020 473 A HN 2.486 nan 8.150 nan 0.000 0.489 474 G N 0.364 109.162 108.800 -0.003 0.000 2.160 474 G HA2 0.155 4.123 3.960 0.014 0.000 0.251 474 G HA3 0.155 4.123 3.960 0.014 0.000 0.251 474 G C 1.598 176.499 174.900 0.003 0.000 1.008 474 G CA 1.034 46.136 45.100 0.003 0.000 0.724 474 G HN 2.789 nan 8.290 nan 0.000 0.514 475 G N -1.560 107.235 108.800 -0.009 0.000 2.189 475 G HA2 0.134 4.102 3.960 0.014 0.000 0.267 475 G HA3 0.134 4.102 3.960 0.014 0.000 0.267 475 G C 0.847 175.738 174.900 -0.015 0.000 0.975 475 G CA 1.272 46.360 45.100 -0.019 0.000 0.644 475 G HN 2.358 nan 8.290 nan 0.000 0.537 476 A N 0.103 122.921 122.820 -0.003 0.000 2.454 476 A HA 0.778 5.106 4.320 0.014 0.000 0.260 476 A C 0.829 178.407 177.584 -0.011 0.000 1.106 476 A CA 1.001 53.040 52.037 0.004 0.000 0.780 476 A CB 0.468 19.476 19.000 0.012 0.000 1.044 476 A HN 2.035 nan 8.150 nan 0.000 0.498 477 A N 3.077 125.889 122.820 -0.012 0.000 2.327 477 A HA 0.601 4.929 4.320 0.014 0.000 0.283 477 A C 0.731 178.322 177.584 0.011 0.000 1.127 477 A CA -0.367 51.653 52.037 -0.027 0.000 0.810 477 A CB 0.154 19.134 19.000 -0.033 0.000 1.066 477 A HN 0.930 nan 8.150 nan 0.000 0.492 478 S N 1.955 117.657 115.700 0.004 0.000 2.568 478 S HA 0.070 4.548 4.470 0.014 0.000 0.282 478 S C 0.378 175.032 174.600 0.090 0.000 1.338 478 S CA -0.447 57.769 58.200 0.026 0.000 1.045 478 S CB 0.002 63.204 63.200 0.002 0.000 0.873 478 S HN 0.727 nan 8.310 nan 0.000 0.516 479 N N 2.200 120.920 118.700 0.033 0.000 2.356 479 N HA 0.293 5.041 4.740 0.014 0.000 0.252 479 N C -0.445 175.106 175.510 0.069 0.000 1.241 479 N CA 0.458 53.494 53.050 -0.023 0.000 0.861 479 N CB -0.379 38.081 38.487 -0.045 0.000 1.075 479 N HN 0.576 nan 8.380 nan 0.000 0.461 480 F N -2.308 117.571 119.950 -0.119 0.000 2.685 480 F HA 0.619 5.154 4.527 0.013 0.000 0.315 480 F C -0.536 175.212 175.800 -0.087 0.000 1.126 480 F CA -1.104 56.841 58.000 -0.092 0.000 0.950 480 F CB 1.048 39.988 39.000 -0.100 0.000 1.360 480 F HN 0.036 nan 8.300 nan 0.000 0.469 481 T N 3.040 117.676 114.554 0.136 0.000 2.779 481 T HA 0.505 4.863 4.350 0.014 0.000 0.280 481 T C -1.241 173.577 174.700 0.196 0.000 0.987 481 T CA -0.355 61.762 62.100 0.029 0.000 0.966 481 T CB 1.295 70.185 68.868 0.037 0.000 0.933 481 T HN 0.670 nan 8.240 nan 0.000 0.442 482 L N 4.455 125.736 121.223 0.096 0.000 2.260 482 L HA 0.693 5.042 4.340 0.014 0.000 0.289 482 L C 0.542 177.478 176.870 0.109 0.000 1.057 482 L CA -0.510 54.448 54.840 0.195 0.000 0.811 482 L CB -0.217 41.929 42.059 0.145 0.000 1.184 482 L HN 0.793 nan 8.230 nan 0.000 0.429 483 A N 6.973 129.862 122.820 0.116 0.000 2.475 483 A HA 0.401 4.729 4.320 0.014 0.000 0.239 483 A C -2.258 175.369 177.584 0.071 0.000 1.087 483 A CA -0.767 51.318 52.037 0.080 0.000 0.779 483 A CB -0.931 18.114 19.000 0.074 0.000 1.036 483 A HN 0.708 nan 8.150 nan 0.000 0.506 484 P HA 0.252 nan 4.420 nan 0.000 0.264 484 P C 0.927 178.267 177.300 0.066 0.000 1.193 484 P CA 1.748 64.884 63.100 0.062 0.000 0.763 484 P CB 0.518 32.249 31.700 0.052 0.000 0.810 485 G N 2.295 111.141 108.800 0.077 0.000 2.189 485 G HA2 -0.212 3.756 3.960 0.014 0.000 0.267 485 G HA3 -0.212 3.756 3.960 0.014 0.000 0.267 485 G C 0.656 175.598 174.900 0.070 0.000 0.975 485 G CA -0.104 45.044 45.100 0.081 0.000 0.644 485 G HN 0.892 nan 8.290 nan 0.000 0.537 486 G N -0.097 108.746 108.800 0.071 0.000 2.340 486 G HA2 0.506 4.475 3.960 0.014 0.000 0.245 486 G HA3 0.506 4.475 3.960 0.014 0.000 0.245 486 G C -0.013 174.911 174.900 0.039 0.000 1.294 486 G CA 1.085 46.221 45.100 0.060 0.000 0.896 486 G HN 0.727 nan 8.290 nan 0.000 0.522 487 T N 0.733 115.280 114.554 -0.013 0.000 2.879 487 T HA 0.676 5.035 4.350 0.014 0.000 0.290 487 T C -0.199 174.394 174.700 -0.177 0.000 0.993 487 T CA -0.063 61.993 62.100 -0.074 0.000 0.975 487 T CB 1.823 70.653 68.868 -0.063 0.000 0.981 487 T HN 1.040 nan 8.240 nan 0.000 0.439 488 A N 2.445 125.050 122.820 -0.360 0.000 2.449 488 A HA 0.872 5.201 4.320 0.014 0.000 0.302 488 A C -1.234 175.749 177.584 -1.002 0.000 1.048 488 A CA -0.697 50.933 52.037 -0.679 0.000 0.708 488 A CB 1.597 20.112 19.000 -0.808 0.000 1.274 488 A HN 0.659 nan 8.150 nan 0.000 0.410 489 V N 2.524 121.872 119.914 -0.943 0.000 2.577 489 V HA 0.565 4.693 4.120 0.014 0.000 0.303 489 V C -1.176 174.508 176.094 -0.684 0.000 1.042 489 V CA -0.480 61.412 62.300 -0.679 0.000 0.872 489 V CB 1.457 33.081 31.823 -0.332 0.000 0.998 489 V HN 0.835 nan 8.190 nan 0.000 0.423 490 W N 4.077 125.324 121.300 -0.089 0.000 2.819 490 W HA 0.735 5.405 4.660 0.017 0.000 0.337 490 W C -0.263 176.206 176.519 -0.084 0.000 1.077 490 W CA -0.627 56.676 57.345 -0.069 0.000 1.226 490 W CB 2.111 31.479 29.460 -0.153 0.000 1.419 490 W HN 0.710 nan 8.180 nan 0.000 0.502 491 Q N 1.224 121.148 119.800 0.206 0.000 2.553 491 Q HA 0.690 5.038 4.340 0.014 0.000 0.293 491 Q C -2.210 173.954 176.000 0.274 0.000 1.038 491 Q CA -1.125 54.766 55.803 0.146 0.000 0.777 491 Q CB 3.440 32.233 28.738 0.092 0.000 1.487 491 Q HN 0.360 nan 8.270 nan 0.000 0.426 492 Y N 0.835 121.188 120.300 0.087 0.000 2.362 492 Y HA 0.486 5.044 4.550 0.013 0.000 0.326 492 Y C -1.565 174.393 175.900 0.096 0.000 1.083 492 Y CA -0.194 57.992 58.100 0.142 0.000 1.073 492 Y CB 2.151 40.694 38.460 0.138 0.000 1.211 492 Y HN 0.914 nan 8.280 nan 0.000 0.433 493 T N 1.651 115.872 114.554 -0.555 0.000 2.940 493 T HA 0.824 5.183 4.350 0.014 0.000 0.288 493 T C -0.508 173.759 174.700 -0.723 0.000 1.033 493 T CA -0.772 61.070 62.100 -0.430 0.000 1.033 493 T CB 2.088 70.838 68.868 -0.197 0.000 1.079 493 T HN 0.699 nan 8.240 nan 0.000 0.496 494 T N 0.265 114.611 114.554 -0.348 0.000 2.830 494 T HA 0.388 4.746 4.350 0.014 0.000 0.322 494 T C -1.809 172.851 174.700 -0.066 0.000 1.501 494 T CA -0.653 61.325 62.100 -0.202 0.000 1.036 494 T CB 1.601 70.420 68.868 -0.082 0.000 1.379 494 T HN 0.700 nan 8.240 nan 0.000 0.493 495 D N 1.762 122.141 120.400 -0.035 0.000 2.372 495 D HA 0.541 5.189 4.640 0.014 0.000 0.243 495 D C 0.028 176.322 176.300 -0.010 0.000 1.121 495 D CA 0.142 54.131 54.000 -0.018 0.000 0.898 495 D CB 1.127 41.920 40.800 -0.012 0.000 1.202 495 D HN 0.706 nan 8.370 nan 0.000 0.428 496 A N 0.996 123.801 122.820 -0.025 0.000 2.301 496 A HA 0.410 4.738 4.320 0.014 0.000 0.298 496 A C 1.232 178.798 177.584 -0.031 0.000 1.185 496 A CA -0.398 51.612 52.037 -0.046 0.000 0.830 496 A CB 0.366 19.307 19.000 -0.098 0.000 1.112 496 A HN 0.605 nan 8.150 nan 0.000 0.508 497 T N 0.095 114.636 114.554 -0.022 0.000 2.852 497 T HA 0.069 4.427 4.350 0.014 0.000 0.256 497 T C 0.893 175.595 174.700 0.004 0.000 1.038 497 T CA 1.424 63.523 62.100 -0.002 0.000 1.141 497 T CB -0.278 68.593 68.868 0.004 0.000 0.869 497 T HN 0.505 nan 8.240 nan 0.000 0.439 498 T N 3.902 118.446 114.554 -0.017 0.000 2.895 498 T HA 0.477 4.835 4.350 0.014 0.000 0.283 498 T C -2.771 171.918 174.700 -0.019 0.000 1.014 498 T CA -1.563 60.536 62.100 -0.001 0.000 1.037 498 T CB 1.708 70.566 68.868 -0.017 0.000 1.006 498 T HN 0.126 nan 8.240 nan 0.000 0.468 499 P HA 0.294 nan 4.420 nan 0.000 0.267 499 P C -1.027 176.286 177.300 0.022 0.000 1.205 499 P CA 0.064 63.232 63.100 0.114 0.000 0.765 499 P CB 0.351 32.265 31.700 0.356 0.000 0.828 500 I N 3.970 124.474 120.570 -0.110 0.000 2.512 500 I HA 0.338 4.517 4.170 0.014 0.000 0.287 500 I C 0.310 176.454 176.117 0.044 0.000 1.069 500 I CA -0.888 60.326 61.300 -0.144 0.000 1.056 500 I CB 2.016 39.662 38.000 -0.591 0.000 1.229 500 I HN 0.140 nan 8.210 nan 0.000 0.429 501 I N 5.022 125.712 120.570 0.200 0.000 2.352 501 I HA 0.232 4.410 4.170 0.014 0.000 0.290 501 I C 1.271 177.519 176.117 0.219 0.000 1.036 501 I CA 0.306 61.736 61.300 0.216 0.000 1.336 501 I CB 1.360 39.443 38.000 0.139 0.000 1.407 501 I HN 0.844 nan 8.210 nan 0.000 0.497 502 G N 5.088 113.830 108.800 -0.097 0.000 2.656 502 G HA2 0.029 3.997 3.960 0.014 0.000 0.211 502 G HA3 0.029 3.997 3.960 0.014 0.000 0.211 502 G C 0.412 175.174 174.900 -0.230 0.000 1.137 502 G CA 0.257 45.125 45.100 -0.387 0.000 0.802 502 G HN 0.541 nan 8.290 nan 0.000 0.527 503 N N -1.187 117.274 118.700 -0.399 0.000 2.745 503 N HA 0.405 5.154 4.740 0.014 0.000 0.256 503 N C -1.977 173.223 175.510 -0.516 0.000 1.268 503 N CA -0.274 52.593 53.050 -0.305 0.000 0.887 503 N CB 2.112 40.598 38.487 -0.002 0.000 1.575 503 N HN -0.146 nan 8.380 nan 0.000 0.496 504 V N 0.381 119.979 119.914 -0.526 0.000 2.709 504 V HA 0.926 5.054 4.120 0.014 0.000 0.308 504 V C 0.130 176.206 176.094 -0.030 0.000 1.062 504 V CA -0.592 61.507 62.300 -0.335 0.000 0.901 504 V CB 1.748 33.319 31.823 -0.421 0.000 1.003 504 V HN 0.794 nan 8.190 nan 0.000 0.425 505 G N 4.640 113.458 108.800 0.031 0.000 2.753 505 G HA2 0.717 4.686 3.960 0.014 0.000 0.295 505 G HA3 0.717 4.686 3.960 0.014 0.000 0.295 505 G C -3.262 171.710 174.900 0.121 0.000 1.437 505 G CA -1.207 43.963 45.100 0.117 0.000 1.094 505 G HN 0.491 nan 8.290 nan 0.000 0.540 506 P HA 0.218 nan 4.420 nan 0.000 0.275 506 P C 0.206 177.650 177.300 0.240 0.000 1.266 506 P CA -0.366 62.825 63.100 0.150 0.000 0.793 506 P CB 1.360 33.112 31.700 0.086 0.000 1.074 507 M N -0.436 119.229 119.600 0.108 0.000 2.356 507 M HA 0.305 4.794 4.480 0.014 0.000 0.262 507 M C 0.452 176.474 176.300 -0.465 0.000 1.097 507 M CA 0.273 55.580 55.300 0.013 0.000 0.991 507 M CB -0.527 32.128 32.600 0.092 0.000 1.450 507 M HN 0.453 nan 8.290 nan 0.000 0.495 508 M N 0.886 120.264 119.600 -0.369 0.000 2.265 508 M HA 0.599 5.087 4.480 0.014 0.000 0.262 508 M C -2.143 174.031 176.300 -0.209 0.000 1.026 508 M CA -0.187 54.884 55.300 -0.383 0.000 0.987 508 M CB 2.031 34.491 32.600 -0.233 0.000 1.937 508 M HN 0.042 nan 8.290 nan 0.000 0.481 509 A N 3.731 126.454 122.820 -0.162 0.000 2.586 509 A HA 0.636 4.964 4.320 0.014 0.000 0.291 509 A C -1.848 175.734 177.584 -0.003 0.000 1.062 509 A CA -0.985 51.033 52.037 -0.031 0.000 0.666 509 A CB 1.622 20.661 19.000 0.066 0.000 1.281 509 A HN 0.863 nan 8.150 nan 0.000 0.421 510 K N 0.216 120.614 120.400 -0.003 0.000 2.090 510 K HA 0.659 4.987 4.320 0.014 0.000 0.250 510 K C -2.711 173.878 176.600 -0.019 0.000 1.004 510 K CA -1.663 54.620 56.287 -0.008 0.000 0.919 510 K CB 0.170 32.663 32.500 -0.013 0.000 1.045 510 K HN 0.254 nan 8.250 nan 0.000 0.471 511 P HA -0.097 nan 4.420 nan 0.000 0.263 511 P C 0.503 177.754 177.300 -0.082 0.000 1.175 511 P CA 1.664 64.705 63.100 -0.098 0.000 0.761 511 P CB 0.403 32.044 31.700 -0.097 0.000 0.794 512 G N 0.955 109.691 108.800 -0.107 0.000 2.258 512 G HA2 -0.222 3.746 3.960 0.014 0.000 0.233 512 G HA3 -0.222 3.746 3.960 0.014 0.000 0.233 512 G C 0.161 175.025 174.900 -0.060 0.000 1.006 512 G CA -0.138 44.915 45.100 -0.079 0.000 0.620 512 G HN 0.549 nan 8.290 nan 0.000 0.511 513 V N 2.223 122.112 119.914 -0.041 0.000 2.715 513 V HA 0.455 4.584 4.120 0.014 0.000 0.299 513 V C 1.022 177.105 176.094 -0.019 0.000 1.054 513 V CA 0.668 62.956 62.300 -0.019 0.000 1.077 513 V CB 1.456 33.286 31.823 0.013 0.000 0.972 513 V HN 0.316 nan 8.190 nan 0.000 0.484 514 T N 6.602 121.144 114.554 -0.020 0.000 2.749 514 T HA 0.490 4.848 4.350 0.014 0.000 0.295 514 T C -0.030 174.674 174.700 0.008 0.000 0.936 514 T CA 0.036 62.124 62.100 -0.019 0.000 1.060 514 T CB 0.012 68.860 68.868 -0.034 0.000 0.904 514 T HN 0.573 nan 8.240 nan 0.000 0.500 515 I N 0.320 120.901 120.570 0.018 0.000 2.707 515 I HA 0.674 4.852 4.170 0.014 0.000 0.309 515 I C -0.154 175.940 176.117 -0.038 0.000 1.001 515 I CA -0.802 60.517 61.300 0.031 0.000 1.129 515 I CB 1.741 39.785 38.000 0.074 0.000 1.308 515 I HN 0.274 nan 8.210 nan 0.000 0.466 516 T N 5.852 120.379 114.554 -0.045 0.000 2.758 516 T HA 0.581 4.940 4.350 0.014 0.000 0.285 516 T C -0.154 174.456 174.700 -0.149 0.000 0.981 516 T CA -0.158 61.888 62.100 -0.091 0.000 0.965 516 T CB 0.619 69.456 68.868 -0.051 0.000 0.927 516 T HN 0.363 nan 8.240 nan 0.000 0.448 517 I N 3.613 124.045 120.570 -0.230 0.000 2.362 517 I HA 0.389 4.568 4.170 0.014 0.000 0.289 517 I C -0.405 175.600 176.117 -0.186 0.000 0.994 517 I CA -0.772 60.347 61.300 -0.301 0.000 1.158 517 I CB 1.432 39.154 38.000 -0.463 0.000 1.315 517 I HN 0.455 nan 8.210 nan 0.000 0.451 518 D N 4.304 124.624 120.400 -0.133 0.000 2.340 518 D HA 0.809 5.457 4.640 0.014 0.000 0.240 518 D C 0.180 176.368 176.300 -0.187 0.000 1.001 518 D CA -0.095 53.862 54.000 -0.072 0.000 0.888 518 D CB 2.493 43.212 40.800 -0.136 0.000 1.310 518 D HN 0.774 nan 8.370 nan 0.000 0.474 519 G N 0.320 108.952 108.800 -0.280 0.000 2.512 519 G HA2 0.290 4.258 3.960 0.014 0.000 0.181 519 G HA3 0.290 4.258 3.960 0.014 0.000 0.181 519 G C -1.328 173.289 174.900 -0.472 0.000 1.173 519 G CA -0.594 44.239 45.100 -0.444 0.000 0.988 519 G HN 0.295 nan 8.290 nan 0.000 0.485 520 R N -0.919 119.252 120.500 -0.548 0.000 2.799 520 R HA 0.643 4.991 4.340 0.014 0.000 0.270 520 R C 0.610 176.534 176.300 -0.628 0.000 1.010 520 R CA -0.013 55.831 56.100 -0.427 0.000 0.916 520 R CB 1.130 31.421 30.300 -0.014 0.000 1.228 520 R HN 2.226 nan 8.270 nan 0.000 0.469 521 G N 0.694 109.281 108.800 -0.356 0.000 2.153 521 G HA2 -0.294 3.674 3.960 0.014 0.000 0.252 521 G HA3 -0.294 3.674 3.960 0.014 0.000 0.252 521 G C 0.627 175.510 174.900 -0.027 0.000 0.994 521 G CA 0.595 45.594 45.100 -0.168 0.000 0.698 521 G HN 0.573 nan 8.290 nan 0.000 0.521 522 F N 1.029 120.999 119.950 0.032 0.000 2.502 522 F HA 0.298 4.833 4.527 0.014 0.000 0.298 522 F C 2.058 178.090 175.800 0.386 0.000 1.111 522 F CA 0.692 58.754 58.000 0.103 0.000 1.445 522 F CB 0.086 38.926 39.000 -0.267 0.000 1.081 522 F HN 0.810 nan 8.300 nan 0.000 0.558 523 G N 0.261 109.298 108.800 0.396 0.000 2.814 523 G HA2 -0.241 3.727 3.960 0.014 0.000 0.677 523 G HA3 -0.241 3.727 3.960 0.014 0.000 0.677 523 G C 0.423 175.563 174.900 0.400 0.000 1.429 523 G CA -0.280 45.011 45.100 0.318 0.000 0.868 523 G HN 0.112 nan 8.290 nan 0.000 0.553 524 S N 0.070 115.905 115.700 0.225 0.000 2.496 524 S HA 0.329 4.808 4.470 0.014 0.000 0.224 524 S C 1.356 176.021 174.600 0.109 0.000 0.996 524 S CA 1.036 59.355 58.200 0.200 0.000 0.927 524 S CB 0.296 63.557 63.200 0.102 0.000 0.774 524 S HN 1.503 nan 8.310 nan 0.000 0.524 525 G N 1.421 110.199 108.800 -0.037 0.000 2.356 525 G HA2 0.422 4.390 3.960 0.014 0.000 0.322 525 G HA3 0.422 4.390 3.960 0.014 0.000 0.322 525 G C -0.647 173.804 174.900 -0.749 0.000 1.125 525 G CA -0.700 44.252 45.100 -0.247 0.000 0.885 525 G HN 0.142 nan 8.290 nan 0.000 0.467 526 K N 1.047 120.948 120.400 -0.832 0.000 2.530 526 K HA 0.142 4.470 4.320 0.014 0.000 0.280 526 K C 0.943 176.784 176.600 -1.265 0.000 1.004 526 K CA 0.729 56.242 56.287 -1.291 0.000 1.071 526 K CB 0.765 32.934 32.500 -0.551 0.000 0.876 526 K HN 0.571 nan 8.250 nan 0.000 0.487 527 G N 1.779 109.394 108.800 -1.975 0.000 3.341 527 G HA2 0.343 4.311 3.960 0.014 0.000 0.177 527 G HA3 0.343 4.311 3.960 0.014 0.000 0.177 527 G C -0.856 173.779 174.900 -0.443 0.000 1.236 527 G CA -0.256 44.326 45.100 -0.863 0.000 0.888 527 G HN 0.493 nan 8.290 nan 0.000 0.644 528 T N -0.277 114.231 114.554 -0.077 0.000 2.876 528 T HA 0.551 4.910 4.350 0.014 0.000 0.289 528 T C -1.009 173.685 174.700 -0.009 0.000 1.014 528 T CA -0.340 61.697 62.100 -0.105 0.000 0.986 528 T CB 1.791 70.488 68.868 -0.285 0.000 1.021 528 T HN 0.980 nan 8.240 nan 0.000 0.458 529 V N 2.736 122.588 119.914 -0.103 0.000 2.604 529 V HA 0.738 4.866 4.120 0.014 0.000 0.305 529 V C -1.938 174.028 176.094 -0.213 0.000 1.043 529 V CA -0.767 61.466 62.300 -0.111 0.000 0.888 529 V CB 1.184 32.937 31.823 -0.117 0.000 0.995 529 V HN 0.844 nan 8.190 nan 0.000 0.429 530 Y N 5.056 125.322 120.300 -0.056 0.000 2.341 530 Y HA 0.657 5.215 4.550 0.014 0.000 0.337 530 Y C -0.432 175.395 175.900 -0.121 0.000 1.014 530 Y CA -0.574 57.532 58.100 0.010 0.000 1.111 530 Y CB 1.948 40.417 38.460 0.014 0.000 1.194 530 Y HN 0.656 nan 8.280 nan 0.000 0.462 531 F N 2.604 122.619 119.950 0.109 0.000 2.325 531 F HA 0.513 5.048 4.527 0.014 0.000 0.369 531 F C 0.933 176.906 175.800 0.289 0.000 1.095 531 F CA -0.249 57.798 58.000 0.079 0.000 1.082 531 F CB 0.780 39.681 39.000 -0.166 0.000 1.289 531 F HN 0.803 nan 8.300 nan 0.000 0.462 532 G N 2.466 111.526 108.800 0.433 0.000 2.561 532 G HA2 -0.380 3.588 3.960 0.014 0.000 0.289 532 G HA3 -0.380 3.588 3.960 0.014 0.000 0.289 532 G C 1.040 176.105 174.900 0.276 0.000 1.169 532 G CA 0.462 45.776 45.100 0.358 0.000 0.980 532 G HN 0.790 nan 8.290 nan 0.000 0.550 533 T N -1.917 112.792 114.554 0.258 0.000 3.086 533 T HA 0.437 4.795 4.350 0.014 0.000 0.250 533 T C 0.881 175.781 174.700 0.332 0.000 1.074 533 T CA 1.329 63.571 62.100 0.236 0.000 0.988 533 T CB 0.139 69.090 68.868 0.139 0.000 0.988 533 T HN 0.744 nan 8.240 nan 0.000 0.530 534 T N 3.428 118.174 114.554 0.321 0.000 2.723 534 T HA 0.612 4.970 4.350 0.014 0.000 0.297 534 T C 0.314 175.122 174.700 0.181 0.000 0.925 534 T CA -0.501 61.732 62.100 0.222 0.000 1.030 534 T CB 0.591 69.556 68.868 0.161 0.000 0.905 534 T HN 0.514 nan 8.240 nan 0.000 0.502 535 A N 3.998 126.847 122.820 0.048 0.000 2.362 535 A HA 0.564 4.893 4.320 0.014 0.000 0.276 535 A C 0.034 177.524 177.584 -0.156 0.000 1.153 535 A CA -0.516 51.353 52.037 -0.280 0.000 0.813 535 A CB 0.284 19.130 19.000 -0.257 0.000 1.081 535 A HN 0.677 nan 8.150 nan 0.000 0.507 536 V N 3.592 123.408 119.914 -0.163 0.000 2.417 536 V HA 0.667 4.795 4.120 0.014 0.000 0.291 536 V C 0.310 176.345 176.094 -0.098 0.000 1.024 536 V CA -0.030 62.224 62.300 -0.077 0.000 0.861 536 V CB 1.293 33.123 31.823 0.011 0.000 0.985 536 V HN 1.136 nan 8.190 nan 0.000 0.436 537 T N 0.943 115.445 114.554 -0.086 0.000 2.696 537 T HA 0.868 5.226 4.350 0.014 0.000 0.291 537 T C 0.534 175.192 174.700 -0.069 0.000 1.095 537 T CA -0.051 61.995 62.100 -0.091 0.000 1.026 537 T CB 1.396 70.194 68.868 -0.117 0.000 1.390 537 T HN 1.469 nan 8.240 nan 0.000 0.513 538 G N 0.960 109.711 108.800 -0.081 0.000 2.583 538 G HA2 -0.054 3.914 3.960 0.014 0.000 0.292 538 G HA3 -0.054 3.914 3.960 0.014 0.000 0.292 538 G C 1.250 176.123 174.900 -0.044 0.000 1.203 538 G CA 0.858 45.918 45.100 -0.066 0.000 0.987 538 G HN 1.797 nan 8.290 nan 0.000 0.554 539 A N -0.707 122.089 122.820 -0.040 0.000 2.178 539 A HA 0.137 4.465 4.320 0.014 0.000 0.218 539 A C 1.832 179.399 177.584 -0.028 0.000 1.157 539 A CA 2.285 54.304 52.037 -0.031 0.000 0.689 539 A CB -0.309 18.672 19.000 -0.032 0.000 0.787 539 A HN 0.589 nan 8.150 nan 0.000 0.465 540 D N -0.577 119.803 120.400 -0.033 0.000 2.349 540 D HA 0.113 4.761 4.640 0.014 0.000 0.215 540 D C 0.195 176.485 176.300 -0.016 0.000 1.016 540 D CA 0.359 54.337 54.000 -0.037 0.000 0.870 540 D CB 0.151 40.917 40.800 -0.057 0.000 0.917 540 D HN 0.424 nan 8.370 nan 0.000 0.524 541 I N 1.535 122.112 120.570 0.011 0.000 2.291 541 I HA -0.011 4.167 4.170 0.014 0.000 0.292 541 I C 1.487 177.629 176.117 0.042 0.000 1.064 541 I CA -0.394 60.941 61.300 0.059 0.000 1.269 541 I CB 1.875 39.967 38.000 0.152 0.000 1.418 541 I HN -0.286 nan 8.210 nan 0.000 0.485 542 V N 6.146 126.070 119.914 0.018 0.000 2.427 542 V HA -0.039 4.089 4.120 0.014 0.000 0.248 542 V C 0.965 177.072 176.094 0.023 0.000 1.051 542 V CA 1.442 63.745 62.300 0.005 0.000 1.048 542 V CB -0.326 31.488 31.823 -0.015 0.000 0.666 542 V HN 0.829 nan 8.190 nan 0.000 0.456 543 A N -1.610 121.234 122.820 0.040 0.000 2.547 543 A HA 0.638 4.966 4.320 0.014 0.000 0.297 543 A C -2.008 175.650 177.584 0.124 0.000 1.056 543 A CA -0.391 51.682 52.037 0.062 0.000 0.688 543 A CB 1.714 20.722 19.000 0.013 0.000 1.282 543 A HN 0.234 nan 8.150 nan 0.000 0.400 544 W N 2.968 124.247 121.300 -0.035 0.000 3.211 544 W HA 0.542 5.211 4.660 0.014 0.000 0.335 544 W C -1.096 175.430 176.519 0.012 0.000 1.113 544 W CA -0.259 57.069 57.345 -0.028 0.000 1.235 544 W CB 1.710 31.144 29.460 -0.044 0.000 1.365 544 W HN 1.061 nan 8.180 nan 0.000 0.476 545 E N 1.449 121.725 120.200 0.127 0.000 2.456 545 E HA 0.219 4.577 4.350 0.014 0.000 0.278 545 E C -0.500 176.191 176.600 0.152 0.000 1.034 545 E CA -0.584 55.945 56.400 0.215 0.000 0.846 545 E CB 1.538 31.306 29.700 0.114 0.000 1.460 545 E HN 0.147 nan 8.360 nan 0.000 0.463 546 D N -0.229 120.264 120.400 0.155 0.000 2.182 546 D HA -0.139 4.509 4.640 0.014 0.000 0.201 546 D C 1.580 177.854 176.300 -0.044 0.000 0.986 546 D CA 2.504 56.564 54.000 0.099 0.000 0.847 546 D CB 0.190 41.016 40.800 0.044 0.000 0.942 546 D HN 0.548 nan 8.370 nan 0.000 0.467 547 T N -3.577 110.972 114.554 -0.009 0.000 3.023 547 T HA 0.152 4.510 4.350 0.014 0.000 0.253 547 T C 0.503 175.256 174.700 0.089 0.000 1.038 547 T CA -0.519 61.535 62.100 -0.076 0.000 0.962 547 T CB 0.462 69.303 68.868 -0.046 0.000 1.018 547 T HN 0.102 nan 8.240 nan 0.000 0.521 548 Q N 0.110 119.998 119.800 0.147 0.000 2.320 548 Q HA 0.635 4.983 4.340 0.014 0.000 0.272 548 Q C -2.178 173.710 176.000 -0.187 0.000 1.023 548 Q CA -0.838 54.979 55.803 0.023 0.000 0.855 548 Q CB 1.998 30.720 28.738 -0.027 0.000 1.367 548 Q HN 0.433 nan 8.270 nan 0.000 0.406 549 I N 2.455 122.796 120.570 -0.382 0.000 2.545 549 I HA 0.383 4.561 4.170 0.014 0.000 0.292 549 I C -0.757 175.194 176.117 -0.278 0.000 1.040 549 I CA -0.663 60.332 61.300 -0.509 0.000 1.068 549 I CB 2.310 39.725 38.000 -0.975 0.000 1.251 549 I HN 0.527 nan 8.210 nan 0.000 0.424 550 Q N 4.681 124.388 119.800 -0.155 0.000 2.333 550 Q HA 0.720 5.068 4.340 0.014 0.000 0.267 550 Q C -1.407 174.556 176.000 -0.062 0.000 1.012 550 Q CA -0.624 55.120 55.803 -0.098 0.000 0.824 550 Q CB 3.454 32.155 28.738 -0.062 0.000 1.290 550 Q HN 0.487 nan 8.270 nan 0.000 0.449 551 V N 2.219 122.103 119.914 -0.051 0.000 2.971 551 V HA 0.431 4.559 4.120 0.014 0.000 0.309 551 V C -1.563 174.518 176.094 -0.022 0.000 1.130 551 V CA -0.755 61.535 62.300 -0.016 0.000 0.964 551 V CB 2.397 34.228 31.823 0.013 0.000 1.029 551 V HN 0.656 nan 8.190 nan 0.000 0.427 552 K N 5.206 125.574 120.400 -0.053 0.000 2.205 552 K HA 0.524 4.852 4.320 0.014 0.000 0.279 552 K C -0.420 176.041 176.600 -0.231 0.000 1.027 552 K CA -0.345 55.880 56.287 -0.103 0.000 0.932 552 K CB 1.307 33.749 32.500 -0.097 0.000 1.032 552 K HN 0.600 nan 8.250 nan 0.000 0.466 553 I N 6.285 126.676 120.570 -0.298 0.000 2.598 553 I HA -0.002 4.176 4.170 0.014 0.000 0.284 553 I C -1.538 174.245 176.117 -0.556 0.000 1.140 553 I CA -1.537 59.377 61.300 -0.645 0.000 1.420 553 I CB 0.179 37.983 38.000 -0.327 0.000 1.387 553 I HN 0.390 nan 8.210 nan 0.000 0.553 554 P HA 0.026 nan 4.420 nan 0.000 0.272 554 P C -0.647 176.471 177.300 -0.302 0.000 1.240 554 P CA -0.513 62.343 63.100 -0.406 0.000 0.791 554 P CB 0.693 32.169 31.700 -0.374 0.000 0.978 555 A N 1.878 124.590 122.820 -0.179 0.000 2.981 555 A HA 0.388 4.716 4.320 0.014 0.000 0.280 555 A C 0.634 178.164 177.584 -0.090 0.000 1.743 555 A CA -0.340 51.627 52.037 -0.116 0.000 1.430 555 A CB -1.493 17.463 19.000 -0.073 0.000 1.085 555 A HN 0.396 nan 8.150 nan 0.000 0.597 556 V N -0.725 119.115 119.914 -0.123 0.000 2.881 556 V HA 0.715 4.843 4.120 0.014 0.000 0.316 556 V C -2.630 173.484 176.094 0.034 0.000 1.070 556 V CA -2.694 59.576 62.300 -0.050 0.000 0.976 556 V CB 0.843 32.563 31.823 -0.173 0.000 1.038 556 V HN 0.443 nan 8.190 nan 0.000 0.446 557 P HA 0.240 nan 4.420 nan 0.000 0.269 557 P C 0.360 177.795 177.300 0.225 0.000 1.211 557 P CA 0.533 63.729 63.100 0.160 0.000 0.781 557 P CB 0.130 31.931 31.700 0.169 0.000 0.877 558 G N 0.418 109.311 108.800 0.155 0.000 2.441 558 G HA2 0.480 4.448 3.960 0.014 0.000 0.243 558 G HA3 0.480 4.448 3.960 0.014 0.000 0.243 558 G C 0.120 175.152 174.900 0.220 0.000 1.281 558 G CA 0.419 45.617 45.100 0.164 0.000 0.854 558 G HN 0.786 nan 8.290 nan 0.000 0.560 559 G N 0.135 109.098 108.800 0.272 0.000 2.343 559 G HA2 0.333 4.302 3.960 0.014 0.000 0.289 559 G HA3 0.333 4.302 3.960 0.014 0.000 0.289 559 G C -1.413 173.605 174.900 0.195 0.000 1.295 559 G CA -0.962 44.229 45.100 0.152 0.000 0.869 559 G HN 0.602 nan 8.290 nan 0.000 0.522 560 I N 0.780 121.350 120.570 -0.000 0.000 2.354 560 I HA 0.513 4.691 4.170 0.014 0.000 0.292 560 I C -0.861 175.210 176.117 -0.076 0.000 0.989 560 I CA -0.686 60.660 61.300 0.077 0.000 1.188 560 I CB 0.855 38.872 38.000 0.029 0.000 1.342 560 I HN 0.431 nan 8.210 nan 0.000 0.457 561 Y N 3.283 123.728 120.300 0.242 0.000 2.485 561 Y HA 0.373 4.931 4.550 0.014 0.000 0.345 561 Y C 0.289 176.309 175.900 0.200 0.000 0.998 561 Y CA -0.887 57.362 58.100 0.248 0.000 1.059 561 Y CB 1.461 40.147 38.460 0.377 0.000 1.234 561 Y HN 0.442 nan 8.280 nan 0.000 0.461 562 D N 2.821 123.370 120.400 0.249 0.000 2.210 562 D HA 0.368 5.016 4.640 0.014 0.000 0.249 562 D C -0.372 175.974 176.300 0.076 0.000 1.078 562 D CA 0.070 54.158 54.000 0.148 0.000 0.875 562 D CB 1.668 42.517 40.800 0.083 0.000 1.175 562 D HN 0.373 nan 8.370 nan 0.000 0.440 563 I N 1.742 122.312 120.570 0.000 0.000 2.460 563 I HA 0.394 4.573 4.170 0.014 0.000 0.298 563 I C 0.399 176.472 176.117 -0.072 0.000 0.989 563 I CA -0.607 60.566 61.300 -0.212 0.000 1.173 563 I CB 1.671 39.444 38.000 -0.378 0.000 1.338 563 I HN 0.052 nan 8.210 nan 0.000 0.456 564 R N 4.000 124.461 120.500 -0.066 0.000 2.698 564 R HA 0.715 5.063 4.340 0.014 0.000 0.275 564 R C -2.003 174.339 176.300 0.069 0.000 1.001 564 R CA -0.573 55.548 56.100 0.034 0.000 0.896 564 R CB 2.527 32.862 30.300 0.059 0.000 1.218 564 R HN 0.394 nan 8.270 nan 0.000 0.462 565 V N 2.137 122.092 119.914 0.068 0.000 2.555 565 V HA 0.754 4.882 4.120 0.014 0.000 0.302 565 V C -0.647 175.577 176.094 0.216 0.000 1.038 565 V CA -0.618 61.721 62.300 0.065 0.000 0.887 565 V CB 1.703 33.419 31.823 -0.178 0.000 0.991 565 V HN 0.896 nan 8.190 nan 0.000 0.434 566 A N 4.060 127.060 122.820 0.300 0.000 2.330 566 A HA 0.759 5.088 4.320 0.014 0.000 0.313 566 A C -0.092 177.671 177.584 0.299 0.000 1.124 566 A CA -0.772 51.432 52.037 0.279 0.000 0.774 566 A CB 0.783 19.972 19.000 0.316 0.000 1.198 566 A HN 0.943 nan 8.150 nan 0.000 0.465 567 N N 1.873 120.742 118.700 0.282 0.000 2.285 567 N HA 0.348 5.097 4.740 0.014 0.000 0.262 567 N C 1.124 176.666 175.510 0.054 0.000 1.299 567 N CA 0.139 53.362 53.050 0.288 0.000 0.930 567 N CB 0.266 38.928 38.487 0.290 0.000 1.157 567 N HN 0.565 nan 8.380 nan 0.000 0.532 568 A N -1.037 121.745 122.820 -0.063 0.000 2.076 568 A HA 0.026 4.354 4.320 0.014 0.000 0.220 568 A C 1.942 179.498 177.584 -0.046 0.000 1.160 568 A CA 1.847 53.809 52.037 -0.126 0.000 0.653 568 A CB -1.311 17.591 19.000 -0.162 0.000 0.801 568 A HN 0.868 nan 8.150 nan 0.000 0.455 569 A N -2.207 120.615 122.820 0.002 0.000 2.251 569 A HA 0.430 4.758 4.320 0.014 0.000 0.209 569 A C 1.774 179.375 177.584 0.029 0.000 1.187 569 A CA 1.139 53.184 52.037 0.014 0.000 0.823 569 A CB -0.684 18.332 19.000 0.025 0.000 0.846 569 A HN 1.809 nan 8.150 nan 0.000 0.486 570 G N -1.889 106.938 108.800 0.046 0.000 2.175 570 G HA2 0.075 4.044 3.960 0.014 0.000 0.244 570 G HA3 0.075 4.044 3.960 0.014 0.000 0.244 570 G C 0.434 175.380 174.900 0.077 0.000 0.982 570 G CA 0.171 45.310 45.100 0.064 0.000 0.641 570 G HN 1.592 nan 8.290 nan 0.000 0.527 571 A N 0.267 123.135 122.820 0.079 0.000 2.409 571 A HA 0.827 5.155 4.320 0.014 0.000 0.267 571 A C 0.802 178.449 177.584 0.105 0.000 1.127 571 A CA 1.097 53.179 52.037 0.075 0.000 0.795 571 A CB 0.518 19.558 19.000 0.067 0.000 1.061 571 A HN 2.036 nan 8.150 nan 0.000 0.502 572 A N 2.642 125.511 122.820 0.082 0.000 2.295 572 A HA 0.707 5.035 4.320 0.014 0.000 0.318 572 A C 0.819 178.449 177.584 0.078 0.000 1.134 572 A CA 0.124 52.216 52.037 0.092 0.000 0.827 572 A CB 0.364 19.387 19.000 0.038 0.000 1.136 572 A HN 1.687 nan 8.150 nan 0.000 0.493 573 S N 1.421 117.178 115.700 0.095 0.000 2.694 573 S HA 0.383 4.861 4.470 0.014 0.000 0.278 573 S C 0.253 174.884 174.600 0.052 0.000 1.152 573 S CA -0.620 57.631 58.200 0.085 0.000 1.010 573 S CB 0.189 63.473 63.200 0.141 0.000 1.104 573 S HN 0.921 nan 8.310 nan 0.000 0.547 574 N N 0.021 118.751 118.700 0.049 0.000 2.381 574 N HA 0.090 4.839 4.740 0.014 0.000 0.241 574 N C -0.446 175.109 175.510 0.074 0.000 1.279 574 N CA -0.249 52.831 53.050 0.049 0.000 0.896 574 N CB -0.109 38.412 38.487 0.057 0.000 1.118 574 N HN 0.695 nan 8.380 nan 0.000 0.438 575 I N 0.635 121.238 120.570 0.056 0.000 2.474 575 I HA 0.026 4.204 4.170 0.014 0.000 0.287 575 I C -0.514 175.667 176.117 0.106 0.000 1.048 575 I CA -0.500 60.838 61.300 0.063 0.000 1.383 575 I CB 0.337 38.352 38.000 0.026 0.000 1.412 575 I HN 0.493 nan 8.210 nan 0.000 0.531 576 Y N 7.108 127.410 120.300 0.005 0.000 2.478 576 Y HA 0.184 4.742 4.550 0.013 0.000 0.329 576 Y C 0.136 176.065 175.900 0.048 0.000 0.967 576 Y CA -0.921 57.196 58.100 0.027 0.000 1.255 576 Y CB 0.322 38.786 38.460 0.006 0.000 1.103 576 Y HN 0.611 nan 8.280 nan 0.000 0.497 577 D N 2.258 122.630 120.400 -0.046 0.000 2.478 577 D HA 0.127 4.776 4.640 0.014 0.000 0.269 577 D C 0.007 176.372 176.300 0.108 0.000 1.232 577 D CA -0.451 53.580 54.000 0.053 0.000 1.059 577 D CB 0.614 41.414 40.800 0.000 0.000 1.104 577 D HN 0.556 nan 8.370 nan 0.000 0.566 578 N N -2.404 116.375 118.700 0.130 0.000 2.776 578 N HA -0.227 4.521 4.740 0.014 0.000 0.249 578 N C -1.296 174.335 175.510 0.201 0.000 1.111 578 N CA 0.168 53.296 53.050 0.129 0.000 0.711 578 N CB -1.966 36.562 38.487 0.068 0.000 1.065 578 N HN 0.421 nan 8.380 nan 0.000 0.556 579 F N 1.528 121.584 119.950 0.176 0.000 2.420 579 F HA 0.374 4.909 4.527 0.013 0.000 0.352 579 F C 0.680 176.625 175.800 0.242 0.000 1.108 579 F CA -0.500 57.627 58.000 0.212 0.000 1.162 579 F CB 0.750 39.890 39.000 0.234 0.000 1.118 579 F HN 0.131 nan 8.300 nan 0.000 0.510 580 E N 5.649 125.496 120.200 -0.588 0.000 2.109 580 E HA 0.373 4.731 4.350 0.014 0.000 0.278 580 E C -1.456 174.970 176.600 -0.290 0.000 0.954 580 E CA -0.729 55.527 56.400 -0.240 0.000 0.779 580 E CB 1.256 30.852 29.700 -0.172 0.000 1.093 580 E HN 0.506 nan 8.360 nan 0.000 0.401 581 V N 6.559 126.544 119.914 0.118 0.000 2.432 581 V HA 0.160 4.289 4.120 0.014 0.000 0.271 581 V C 0.452 176.587 176.094 0.068 0.000 1.046 581 V CA -0.328 62.045 62.300 0.122 0.000 0.945 581 V CB 0.687 32.596 31.823 0.143 0.000 0.992 581 V HN 0.683 nan 8.190 nan 0.000 0.471 582 L N 4.160 125.389 121.223 0.009 0.000 2.418 582 L HA 0.238 4.586 4.340 0.014 0.000 0.265 582 L C 1.707 178.591 176.870 0.023 0.000 1.143 582 L CA -0.182 54.662 54.840 0.008 0.000 0.809 582 L CB 0.805 42.852 42.059 -0.019 0.000 1.124 582 L HN 0.637 nan 8.230 nan 0.000 0.456 583 T N 0.577 115.148 114.554 0.027 0.000 2.962 583 T HA 0.095 4.453 4.350 0.014 0.000 0.270 583 T C 0.639 175.347 174.700 0.014 0.000 1.088 583 T CA 0.979 63.094 62.100 0.026 0.000 1.127 583 T CB -0.008 68.876 68.868 0.027 0.000 0.883 583 T HN 0.912 nan 8.240 nan 0.000 0.493 584 G N -0.091 108.714 108.800 0.008 0.000 2.336 584 G HA2 0.263 4.232 3.960 0.014 0.000 0.286 584 G HA3 0.263 4.232 3.960 0.014 0.000 0.286 584 G C -2.126 172.773 174.900 -0.001 0.000 1.269 584 G CA -0.902 44.199 45.100 0.002 0.000 0.873 584 G HN 0.017 nan 8.290 nan 0.000 0.494 585 D N 0.665 121.065 120.400 -0.001 0.000 2.378 585 D HA 0.325 4.973 4.640 0.014 0.000 0.238 585 D C -0.053 176.249 176.300 0.002 0.000 1.180 585 D CA 0.505 54.502 54.000 -0.005 0.000 0.895 585 D CB 0.837 41.636 40.800 -0.002 0.000 1.192 585 D HN 0.196 nan 8.370 nan 0.000 0.438 586 Q N 0.314 120.110 119.800 -0.006 0.000 2.306 586 Q HA 0.544 4.893 4.340 0.014 0.000 0.265 586 Q C -0.342 175.672 176.000 0.025 0.000 1.022 586 Q CA -0.947 54.861 55.803 0.007 0.000 0.853 586 Q CB 2.270 30.995 28.738 -0.022 0.000 1.327 586 Q HN 0.320 nan 8.270 nan 0.000 0.449 587 V N -1.849 118.102 119.914 0.061 0.000 2.962 587 V HA 0.695 4.823 4.120 0.014 0.000 0.313 587 V C -0.291 175.884 176.094 0.135 0.000 1.099 587 V CA -0.875 61.483 62.300 0.096 0.000 0.971 587 V CB 1.969 33.855 31.823 0.104 0.000 1.028 587 V HN 0.662 nan 8.190 nan 0.000 0.430 588 T N 2.793 117.458 114.554 0.184 0.000 2.744 588 T HA 0.604 4.963 4.350 0.014 0.000 0.291 588 T C -0.200 174.623 174.700 0.204 0.000 0.957 588 T CA -0.201 62.038 62.100 0.231 0.000 1.002 588 T CB 1.126 70.203 68.868 0.349 0.000 0.919 588 T HN 0.667 nan 8.240 nan 0.000 0.468 589 V N 4.195 124.211 119.914 0.170 0.000 2.483 589 V HA 0.469 4.597 4.120 0.014 0.000 0.295 589 V C 0.412 176.486 176.094 -0.034 0.000 1.035 589 V CA -1.032 61.262 62.300 -0.011 0.000 0.896 589 V CB 1.660 33.376 31.823 -0.179 0.000 0.986 589 V HN 0.727 nan 8.190 nan 0.000 0.447 590 R N 3.697 124.154 120.500 -0.072 0.000 2.221 590 R HA 0.446 4.794 4.340 0.014 0.000 0.327 590 R C -1.466 174.751 176.300 -0.138 0.000 1.033 590 R CA -0.291 55.855 56.100 0.077 0.000 0.887 590 R CB 0.452 30.855 30.300 0.170 0.000 1.057 590 R HN 0.520 nan 8.270 nan 0.000 0.455 591 F N 3.988 124.030 119.950 0.153 0.000 2.420 591 F HA 0.376 4.911 4.527 0.014 0.000 0.342 591 F C -0.208 175.713 175.800 0.202 0.000 1.113 591 F CA -0.633 57.465 58.000 0.163 0.000 1.059 591 F CB 1.958 41.106 39.000 0.247 0.000 1.128 591 F HN 0.112 nan 8.300 nan 0.000 0.475 592 V N 5.251 125.288 119.914 0.204 0.000 2.531 592 V HA 0.458 4.586 4.120 0.014 0.000 0.301 592 V C -0.908 175.117 176.094 -0.115 0.000 1.034 592 V CA -0.745 61.529 62.300 -0.042 0.000 0.865 592 V CB 2.014 33.611 31.823 -0.376 0.000 0.995 592 V HN 0.572 nan 8.190 nan 0.000 0.424 593 I N 5.168 125.615 120.570 -0.205 0.000 2.418 593 I HA 0.539 4.717 4.170 0.014 0.000 0.287 593 I C -0.268 175.791 176.117 -0.097 0.000 1.008 593 I CA 0.080 61.174 61.300 -0.344 0.000 1.104 593 I CB 1.401 38.866 38.000 -0.891 0.000 1.264 593 I HN 0.583 nan 8.210 nan 0.000 0.438 594 N N 5.271 123.933 118.700 -0.062 0.000 2.489 594 N HA 0.316 5.064 4.740 0.014 0.000 0.284 594 N C -0.248 175.284 175.510 0.036 0.000 1.158 594 N CA -0.419 52.625 53.050 -0.010 0.000 0.965 594 N CB 0.928 39.404 38.487 -0.019 0.000 1.195 594 N HN 0.649 nan 8.380 nan 0.000 0.506 595 N N -0.960 117.740 118.700 0.001 0.000 2.721 595 N HA -0.214 4.535 4.740 0.014 0.000 0.249 595 N C -0.999 174.484 175.510 -0.045 0.000 1.072 595 N CA 0.512 53.547 53.050 -0.024 0.000 0.710 595 N CB -0.809 37.694 38.487 0.027 0.000 0.993 595 N HN 0.596 nan 8.380 nan 0.000 0.547 596 A N 0.497 123.284 122.820 -0.056 0.000 2.774 596 A HA 0.396 4.725 4.320 0.014 0.000 0.326 596 A C 0.463 177.946 177.584 -0.169 0.000 1.478 596 A CA -0.219 51.687 52.037 -0.219 0.000 1.099 596 A CB 0.303 19.183 19.000 -0.201 0.000 1.148 596 A HN 0.200 nan 8.150 nan 0.000 0.519 597 T N 2.635 117.033 114.554 -0.260 0.000 2.851 597 T HA 0.457 4.815 4.350 0.014 0.000 0.298 597 T C 0.810 175.527 174.700 0.028 0.000 0.977 597 T CA 0.589 62.631 62.100 -0.097 0.000 1.126 597 T CB 0.560 69.374 68.868 -0.090 0.000 0.916 597 T HN 0.809 nan 8.240 nan 0.000 0.529 598 T N 0.018 114.783 114.554 0.351 0.000 2.926 598 T HA 0.840 5.199 4.350 0.014 0.000 0.289 598 T C 0.155 174.940 174.700 0.143 0.000 1.054 598 T CA -0.978 61.226 62.100 0.173 0.000 1.015 598 T CB 1.600 70.611 68.868 0.238 0.000 1.167 598 T HN 0.608 nan 8.240 nan 0.000 0.526 599 A N 1.204 124.061 122.820 0.061 0.000 2.301 599 A HA 0.677 5.006 4.320 0.014 0.000 0.287 599 A C 0.843 178.446 177.584 0.032 0.000 1.274 599 A CA -0.991 51.069 52.037 0.038 0.000 0.865 599 A CB -0.429 18.582 19.000 0.018 0.000 1.324 599 A HN 1.396 nan 8.150 nan 0.000 0.508 600 L N -1.575 119.658 121.223 0.016 0.000 2.838 600 L HA 0.419 4.768 4.340 0.014 0.000 0.287 600 L C 0.810 177.691 176.870 0.019 0.000 1.124 600 L CA 0.378 55.222 54.840 0.007 0.000 1.091 600 L CB -1.602 40.460 42.059 0.005 0.000 1.448 600 L HN 1.477 nan 8.230 nan 0.000 0.455 601 G N 1.770 110.586 108.800 0.027 0.000 2.221 601 G HA2 -0.312 3.656 3.960 0.014 0.000 0.265 601 G HA3 -0.312 3.656 3.960 0.014 0.000 0.265 601 G C 0.022 174.963 174.900 0.067 0.000 1.041 601 G CA 0.515 45.644 45.100 0.049 0.000 0.807 601 G HN 0.900 nan 8.290 nan 0.000 0.502 602 Q N -0.138 119.704 119.800 0.071 0.000 2.256 602 Q HA 0.524 4.872 4.340 0.014 0.000 0.257 602 Q C -0.290 175.754 176.000 0.074 0.000 0.936 602 Q CA -0.810 55.028 55.803 0.058 0.000 0.903 602 Q CB 0.666 29.417 28.738 0.022 0.000 1.263 602 Q HN 0.392 nan 8.270 nan 0.000 0.440 603 N N 1.685 120.406 118.700 0.034 0.000 2.312 603 N HA 0.397 5.145 4.740 0.014 0.000 0.296 603 N C -1.244 173.957 175.510 -0.515 0.000 1.193 603 N CA -0.473 52.459 53.050 -0.198 0.000 0.773 603 N CB 2.141 40.550 38.487 -0.131 0.000 1.435 603 N HN 0.303 nan 8.380 nan 0.000 0.484 604 V N 1.768 120.926 119.914 -1.259 0.000 2.567 604 V HA 0.505 4.634 4.120 0.014 0.000 0.289 604 V C -0.626 175.031 176.094 -0.730 0.000 1.049 604 V CA -0.035 61.746 62.300 -0.865 0.000 0.969 604 V CB 0.285 31.311 31.823 -1.329 0.000 0.995 604 V HN 0.473 nan 8.190 nan 0.000 0.471 605 F N 3.362 123.198 119.950 -0.189 0.000 2.650 605 F HA 0.739 5.274 4.527 0.014 0.000 0.320 605 F C -0.457 175.313 175.800 -0.051 0.000 1.091 605 F CA -0.891 57.009 58.000 -0.166 0.000 0.962 605 F CB 1.900 40.773 39.000 -0.211 0.000 1.363 605 F HN 0.324 nan 8.300 nan 0.000 0.482 606 L N 0.861 122.108 121.223 0.039 0.000 2.365 606 L HA 0.865 5.213 4.340 0.014 0.000 0.273 606 L C -0.591 176.157 176.870 -0.203 0.000 1.000 606 L CA 0.183 54.894 54.840 -0.214 0.000 0.819 606 L CB 1.973 43.793 42.059 -0.399 0.000 1.284 606 L HN 0.664 nan 8.230 nan 0.000 0.418 607 T N 2.314 116.750 114.554 -0.198 0.000 2.812 607 T HA 0.953 5.312 4.350 0.014 0.000 0.294 607 T C -0.712 173.793 174.700 -0.325 0.000 1.159 607 T CA -0.039 61.961 62.100 -0.167 0.000 1.008 607 T CB 1.535 70.415 68.868 0.019 0.000 1.289 607 T HN 1.161 nan 8.240 nan 0.000 0.514 608 G N 0.427 108.821 108.800 -0.677 0.000 2.428 608 G HA2 0.266 4.235 3.960 0.014 0.000 0.304 608 G HA3 0.266 4.235 3.960 0.014 0.000 0.304 608 G C -0.331 173.733 174.900 -1.392 0.000 1.303 608 G CA -0.053 44.289 45.100 -1.263 0.000 0.825 608 G HN 0.917 nan 8.290 nan 0.000 0.484 609 N N -1.508 116.559 118.700 -1.056 0.000 2.370 609 N HA 0.217 4.966 4.740 0.014 0.000 0.198 609 N C 0.517 175.892 175.510 -0.226 0.000 1.156 609 N CA 0.173 52.871 53.050 -0.586 0.000 0.839 609 N CB 0.439 38.872 38.487 -0.090 0.000 0.989 609 N HN 0.550 nan 8.380 nan 0.000 0.468 610 V N -2.914 116.877 119.914 -0.204 0.000 2.919 610 V HA 0.406 4.534 4.120 0.014 0.000 0.316 610 V C 1.367 177.412 176.094 -0.082 0.000 1.077 610 V CA -0.685 61.564 62.300 -0.084 0.000 0.977 610 V CB 1.423 33.222 31.823 -0.040 0.000 1.039 610 V HN 0.172 nan 8.190 nan 0.000 0.441 611 S N 0.143 115.829 115.700 -0.023 0.000 2.419 611 S HA -0.172 4.306 4.470 0.014 0.000 0.233 611 S C 1.316 175.909 174.600 -0.013 0.000 1.016 611 S CA 1.470 59.664 58.200 -0.009 0.000 0.974 611 S CB -0.602 62.618 63.200 0.033 0.000 0.786 611 S HN 0.886 nan 8.310 nan 0.000 0.492 612 E N 1.314 121.509 120.200 -0.008 0.000 2.265 612 E HA 0.083 4.442 4.350 0.014 0.000 0.196 612 E C 1.390 177.975 176.600 -0.024 0.000 0.996 612 E CA 0.810 57.214 56.400 0.007 0.000 0.832 612 E CB -0.312 29.403 29.700 0.024 0.000 0.756 612 E HN 0.574 nan 8.360 nan 0.000 0.491 613 L N -1.402 119.767 121.223 -0.090 0.000 2.769 613 L HA 0.314 4.662 4.340 0.014 0.000 0.240 613 L C 1.090 177.871 176.870 -0.149 0.000 1.163 613 L CA 0.220 54.965 54.840 -0.158 0.000 0.962 613 L CB 0.367 42.266 42.059 -0.267 0.000 1.258 613 L HN 0.311 nan 8.230 nan 0.000 0.513 614 G N 0.249 108.993 108.800 -0.093 0.000 2.175 614 G HA2 -0.330 3.638 3.960 0.014 0.000 0.244 614 G HA3 -0.330 3.638 3.960 0.014 0.000 0.244 614 G C 0.412 175.286 174.900 -0.043 0.000 0.982 614 G CA 0.116 45.182 45.100 -0.057 0.000 0.641 614 G HN 0.540 nan 8.290 nan 0.000 0.527 615 N N -1.488 117.145 118.700 -0.113 0.000 2.714 615 N HA -0.259 4.489 4.740 0.014 0.000 0.252 615 N C 0.970 176.545 175.510 0.108 0.000 1.014 615 N CA 1.294 54.291 53.050 -0.088 0.000 0.735 615 N CB -1.151 37.344 38.487 0.014 0.000 0.924 615 N HN 1.032 nan 8.380 nan 0.000 0.540 616 W N -3.439 117.915 121.300 0.089 0.000 2.323 616 W HA -0.289 4.380 4.660 0.014 0.000 0.261 616 W C 0.531 177.178 176.519 0.212 0.000 1.029 616 W CA 0.454 57.904 57.345 0.177 0.000 0.499 616 W CB -1.239 28.291 29.460 0.117 0.000 2.045 616 W HN 0.360 nan 8.180 nan 0.000 1.374 617 D N 0.682 121.255 120.400 0.288 0.000 2.358 617 D HA 0.129 4.777 4.640 0.014 0.000 0.258 617 D C -0.935 175.427 176.300 0.103 0.000 1.223 617 D CA -1.633 52.480 54.000 0.188 0.000 0.886 617 D CB 1.164 42.020 40.800 0.093 0.000 1.120 617 D HN -0.168 nan 8.370 nan 0.000 0.482 618 P HA -0.091 nan 4.420 nan 0.000 0.219 618 P C 0.685 177.852 177.300 -0.220 0.000 1.146 618 P CA 0.915 63.920 63.100 -0.158 0.000 0.808 618 P CB 0.235 31.826 31.700 -0.182 0.000 0.779 619 N N -1.218 117.407 118.700 -0.124 0.000 2.453 619 N HA -0.075 4.673 4.740 0.014 0.000 0.183 619 N C 0.697 176.138 175.510 -0.116 0.000 1.041 619 N CA 0.802 53.773 53.050 -0.132 0.000 0.900 619 N CB -0.444 38.000 38.487 -0.071 0.000 0.961 619 N HN 0.113 nan 8.380 nan 0.000 0.443 620 N N -0.664 117.984 118.700 -0.085 0.000 2.234 620 N HA 0.293 5.041 4.740 0.014 0.000 0.227 620 N C -0.885 174.586 175.510 -0.066 0.000 1.151 620 N CA -0.233 52.781 53.050 -0.060 0.000 0.865 620 N CB 0.830 39.301 38.487 -0.027 0.000 1.066 620 N HN 0.097 nan 8.380 nan 0.000 0.515 621 A N 0.547 123.302 122.820 -0.108 0.000 2.386 621 A HA 0.282 4.610 4.320 0.014 0.000 0.248 621 A C 0.081 177.678 177.584 0.022 0.000 1.082 621 A CA -0.144 51.849 52.037 -0.074 0.000 0.789 621 A CB 0.233 19.148 19.000 -0.142 0.000 1.025 621 A HN 0.113 nan 8.150 nan 0.000 0.490 622 I N 1.537 122.101 120.570 -0.010 0.000 2.416 622 I HA 0.541 4.720 4.170 0.014 0.000 0.288 622 I C 0.980 176.994 176.117 -0.172 0.000 1.051 622 I CA 1.180 62.437 61.300 -0.073 0.000 1.375 622 I CB -0.414 37.529 38.000 -0.095 0.000 1.407 622 I HN 0.976 nan 8.210 nan 0.000 0.516 623 G N 7.967 116.534 108.800 -0.388 0.000 2.350 623 G HA2 0.184 4.153 3.960 0.014 0.000 0.282 623 G HA3 0.184 4.153 3.960 0.014 0.000 0.282 623 G C -3.259 171.326 174.900 -0.526 0.000 1.314 623 G CA -0.886 43.727 45.100 -0.812 0.000 0.915 623 G HN 0.341 nan 8.290 nan 0.000 0.499 624 P HA 0.390 nan 4.420 nan 0.000 0.267 624 P C 0.490 177.394 177.300 -0.660 0.000 1.205 624 P CA 0.054 62.599 63.100 -0.926 0.000 0.765 624 P CB 0.387 31.832 31.700 -0.425 0.000 0.828 625 M N 2.088 121.344 119.600 -0.574 0.000 2.167 625 M HA 0.107 4.595 4.480 0.014 0.000 0.300 625 M C 0.165 176.552 176.300 0.144 0.000 1.171 625 M CA 0.543 55.664 55.300 -0.297 0.000 1.171 625 M CB 0.053 32.661 32.600 0.013 0.000 1.396 625 M HN 0.277 nan 8.290 nan 0.000 0.466 626 Y N 1.129 121.454 120.300 0.042 0.000 2.354 626 Y HA 0.259 4.818 4.550 0.014 0.000 0.322 626 Y C 0.571 176.311 175.900 -0.267 0.000 1.253 626 Y CA -1.378 56.579 58.100 -0.237 0.000 1.272 626 Y CB 0.563 38.625 38.460 -0.664 0.000 1.255 626 Y HN 0.690 nan 8.280 nan 0.000 0.500 627 N N -1.393 117.265 118.700 -0.069 0.000 2.423 627 N HA 0.102 4.850 4.740 0.014 0.000 0.262 627 N C -0.446 175.028 175.510 -0.060 0.000 1.467 627 N CA -0.119 52.838 53.050 -0.156 0.000 0.847 627 N CB -0.109 37.869 38.487 -0.850 0.000 1.394 627 N HN 0.632 nan 8.380 nan 0.000 0.495 628 Q N -0.515 119.305 119.800 0.033 0.000 2.652 628 Q HA 0.327 4.676 4.340 0.014 0.000 0.211 628 Q C 1.149 177.099 176.000 -0.082 0.000 0.858 628 Q CA 0.452 56.227 55.803 -0.046 0.000 0.895 628 Q CB 0.622 29.306 28.738 -0.090 0.000 1.194 628 Q HN 0.085 nan 8.270 nan 0.000 0.645 629 V N 0.388 120.227 119.914 -0.125 0.000 2.278 629 V HA -0.132 3.997 4.120 0.014 0.000 0.238 629 V C 2.116 177.770 176.094 -0.733 0.000 1.039 629 V CA 1.329 63.387 62.300 -0.403 0.000 1.017 629 V CB -0.442 31.120 31.823 -0.435 0.000 0.657 629 V HN 0.126 nan 8.190 nan 0.000 0.462 630 V N -1.738 117.567 119.914 -1.015 0.000 2.358 630 V HA -0.095 4.033 4.120 0.014 0.000 0.246 630 V C 0.652 176.047 176.094 -1.164 0.000 1.047 630 V CA 1.460 62.970 62.300 -1.316 0.000 1.035 630 V CB -0.545 30.238 31.823 -1.733 0.000 0.658 630 V HN 0.496 nan 8.190 nan 0.000 0.452 631 Y N -1.428 118.491 120.300 -0.636 0.000 2.545 631 Y HA 0.683 5.242 4.550 0.014 0.000 0.348 631 Y C -0.187 175.661 175.900 -0.088 0.000 1.002 631 Y CA -1.314 56.633 58.100 -0.255 0.000 1.039 631 Y CB 1.666 40.041 38.460 -0.141 0.000 1.271 631 Y HN 0.004 nan 8.280 nan 0.000 0.467 632 Q N 0.630 120.487 119.800 0.095 0.000 2.306 632 Q HA 0.321 4.669 4.340 0.014 0.000 0.265 632 Q C -1.379 174.630 176.000 0.015 0.000 1.022 632 Q CA -1.019 54.804 55.803 0.034 0.000 0.853 632 Q CB 1.516 30.259 28.738 0.007 0.000 1.327 632 Q HN 0.596 nan 8.270 nan 0.000 0.449 633 Y N 4.048 124.228 120.300 -0.200 0.000 2.811 633 Y HA 0.011 4.569 4.550 0.014 0.000 0.334 633 Y C -1.266 174.581 175.900 -0.088 0.000 1.247 633 Y CA -0.615 57.325 58.100 -0.267 0.000 1.526 633 Y CB 0.749 39.004 38.460 -0.342 0.000 1.284 633 Y HN 0.557 nan 8.280 nan 0.000 0.586 634 P HA 0.060 nan 4.420 nan 0.000 0.253 634 P C -0.743 176.447 177.300 -0.184 0.000 1.459 634 P CA 0.051 62.636 63.100 -0.859 0.000 0.908 634 P CB -0.059 31.142 31.700 -0.831 0.000 1.470 635 T N 0.774 115.272 114.554 -0.093 0.000 2.771 635 T HA 0.292 4.650 4.350 0.014 0.000 0.291 635 T C -0.633 174.136 174.700 0.114 0.000 0.954 635 T CA 0.070 62.201 62.100 0.052 0.000 1.045 635 T CB 0.593 69.480 68.868 0.031 0.000 0.917 635 T HN 0.049 nan 8.240 nan 0.000 0.484 636 W N 2.949 124.265 121.300 0.027 0.000 2.706 636 W HA 0.637 5.305 4.660 0.014 0.000 0.346 636 W C -0.654 175.974 176.519 0.182 0.000 1.071 636 W CA -0.964 56.454 57.345 0.120 0.000 1.206 636 W CB 0.962 30.436 29.460 0.023 0.000 1.413 636 W HN 0.706 nan 8.180 nan 0.000 0.542 637 Y N -0.316 120.193 120.300 0.348 0.000 2.597 637 Y HA 0.794 5.352 4.550 0.014 0.000 0.340 637 Y C -1.980 174.191 175.900 0.453 0.000 1.097 637 Y CA -2.772 55.518 58.100 0.316 0.000 1.037 637 Y CB 1.549 40.211 38.460 0.335 0.000 1.305 637 Y HN 0.535 nan 8.280 nan 0.000 0.463 638 Y N 0.681 121.141 120.300 0.267 0.000 2.521 638 Y HA 0.344 4.902 4.550 0.014 0.000 0.328 638 Y C -1.742 174.362 175.900 0.339 0.000 1.151 638 Y CA -1.083 57.092 58.100 0.125 0.000 1.054 638 Y CB 1.826 40.292 38.460 0.010 0.000 1.338 638 Y HN 0.773 nan 8.280 nan 0.000 0.453 639 D N 4.339 124.756 120.400 0.028 0.000 2.317 639 D HA 0.451 5.099 4.640 0.014 0.000 0.234 639 D C -1.017 175.409 176.300 0.209 0.000 1.112 639 D CA 0.061 54.194 54.000 0.221 0.000 0.840 639 D CB 1.976 42.949 40.800 0.289 0.000 1.078 639 D HN 0.179 nan 8.370 nan 0.000 0.486 640 V N 1.378 121.506 119.914 0.357 0.000 2.540 640 V HA 0.270 4.398 4.120 0.014 0.000 0.302 640 V C 0.398 176.672 176.094 0.299 0.000 1.035 640 V CA -0.878 61.638 62.300 0.360 0.000 0.873 640 V CB 2.042 34.099 31.823 0.392 0.000 0.992 640 V HN 0.459 nan 8.190 nan 0.000 0.428 641 S N 3.759 119.597 115.700 0.230 0.000 2.481 641 S HA 0.589 5.067 4.470 0.014 0.000 0.276 641 S C -0.406 174.281 174.600 0.146 0.000 1.247 641 S CA -0.398 57.894 58.200 0.153 0.000 1.053 641 S CB 0.329 63.578 63.200 0.082 0.000 0.925 641 S HN 0.946 nan 8.310 nan 0.000 0.491 642 V N 3.270 123.270 119.914 0.143 0.000 3.040 642 V HA 0.784 4.913 4.120 0.014 0.000 0.312 642 V C -2.774 173.373 176.094 0.088 0.000 1.115 642 V CA -2.809 59.566 62.300 0.126 0.000 0.998 642 V CB 1.667 33.607 31.823 0.196 0.000 1.042 642 V HN 0.676 nan 8.190 nan 0.000 0.433 643 P HA 0.250 nan 4.420 nan 0.000 0.268 643 P C -0.250 177.076 177.300 0.044 0.000 1.204 643 P CA 0.511 63.636 63.100 0.042 0.000 0.768 643 P CB 0.956 32.675 31.700 0.032 0.000 0.842 644 A N 2.818 125.657 122.820 0.031 0.000 2.354 644 A HA 0.560 4.888 4.320 0.014 0.000 0.269 644 A C 1.322 178.909 177.584 0.005 0.000 1.109 644 A CA 0.211 52.263 52.037 0.024 0.000 0.800 644 A CB -0.640 18.373 19.000 0.023 0.000 1.045 644 A HN 0.823 nan 8.150 nan 0.000 0.489 645 G N 0.606 109.397 108.800 -0.015 0.000 2.147 645 G HA2 -0.166 3.802 3.960 0.014 0.000 0.244 645 G HA3 -0.166 3.802 3.960 0.014 0.000 0.244 645 G C -0.049 174.832 174.900 -0.032 0.000 1.005 645 G CA 0.633 45.716 45.100 -0.028 0.000 0.713 645 G HN 1.599 nan 8.290 nan 0.000 0.515 646 Q N -1.335 118.444 119.800 -0.034 0.000 2.553 646 Q HA 0.713 5.061 4.340 0.014 0.000 0.293 646 Q C -0.816 175.168 176.000 -0.027 0.000 1.038 646 Q CA -0.838 54.952 55.803 -0.021 0.000 0.777 646 Q CB 1.033 29.775 28.738 0.007 0.000 1.487 646 Q HN 0.087 nan 8.270 nan 0.000 0.426 647 T N 2.558 117.114 114.554 0.003 0.000 2.737 647 T HA 0.414 4.773 4.350 0.014 0.000 0.296 647 T C 0.191 174.953 174.700 0.104 0.000 0.922 647 T CA -0.436 61.689 62.100 0.041 0.000 1.079 647 T CB -0.430 68.467 68.868 0.049 0.000 0.892 647 T HN 0.456 nan 8.240 nan 0.000 0.514 648 I N 0.522 121.202 120.570 0.184 0.000 2.437 648 I HA 0.644 4.823 4.170 0.014 0.000 0.298 648 I C -0.045 176.285 176.117 0.354 0.000 0.984 648 I CA -0.974 60.458 61.300 0.221 0.000 1.214 648 I CB 1.417 39.549 38.000 0.219 0.000 1.365 648 I HN 0.371 nan 8.210 nan 0.000 0.469 649 E N 5.265 125.621 120.200 0.259 0.000 2.204 649 E HA 0.647 5.005 4.350 0.014 0.000 0.276 649 E C -1.280 175.474 176.600 0.256 0.000 0.974 649 E CA -0.536 56.043 56.400 0.299 0.000 0.815 649 E CB 1.906 31.817 29.700 0.351 0.000 1.119 649 E HN 0.600 nan 8.360 nan 0.000 0.393 650 F N -0.014 119.997 119.950 0.102 0.000 2.711 650 F HA 0.737 5.272 4.527 0.014 0.000 0.313 650 F C -1.100 174.791 175.800 0.152 0.000 1.141 650 F CA -1.197 56.753 58.000 -0.082 0.000 0.941 650 F CB 1.519 40.367 39.000 -0.252 0.000 1.349 650 F HN 0.171 nan 8.300 nan 0.000 0.464 651 K N 0.683 121.230 120.400 0.246 0.000 2.551 651 K HA 0.650 4.978 4.320 0.014 0.000 0.269 651 K C -2.135 174.463 176.600 -0.003 0.000 0.949 651 K CA -0.533 55.867 56.287 0.189 0.000 0.849 651 K CB 2.085 34.896 32.500 0.519 0.000 1.411 651 K HN 0.604 nan 8.250 nan 0.000 0.432 652 F N 2.789 122.809 119.950 0.117 0.000 2.440 652 F HA 0.622 5.157 4.527 0.014 0.000 0.328 652 F C -0.158 175.666 175.800 0.041 0.000 1.070 652 F CA -0.680 57.366 58.000 0.077 0.000 1.011 652 F CB 1.208 40.264 39.000 0.094 0.000 1.226 652 F HN 0.314 nan 8.300 nan 0.000 0.491 653 L N -0.642 120.745 121.223 0.273 0.000 2.465 653 L HA 0.711 5.059 4.340 0.014 0.000 0.257 653 L C -1.686 175.312 176.870 0.214 0.000 0.988 653 L CA -1.211 53.698 54.840 0.114 0.000 0.827 653 L CB 2.314 44.046 42.059 -0.544 0.000 1.397 653 L HN 0.451 nan 8.230 nan 0.000 0.410 654 K N 1.707 122.191 120.400 0.140 0.000 2.164 654 K HA 0.643 4.971 4.320 0.014 0.000 0.258 654 K C -1.193 175.408 176.600 0.002 0.000 0.951 654 K CA -0.824 55.472 56.287 0.014 0.000 0.844 654 K CB 2.165 34.575 32.500 -0.150 0.000 1.099 654 K HN 0.500 nan 8.250 nan 0.000 0.435 655 K N 2.131 122.578 120.400 0.078 0.000 2.378 655 K HA 0.242 4.570 4.320 0.014 0.000 0.252 655 K C -1.130 175.486 176.600 0.028 0.000 0.931 655 K CA -0.767 55.483 56.287 -0.062 0.000 0.794 655 K CB 2.320 34.613 32.500 -0.345 0.000 1.181 655 K HN 0.488 nan 8.250 nan 0.000 0.425 656 Q N 1.711 121.502 119.800 -0.015 0.000 2.444 656 Q HA 0.315 4.663 4.340 0.014 0.000 0.251 656 Q C 0.049 176.042 176.000 -0.011 0.000 0.939 656 Q CA 0.025 55.833 55.803 0.007 0.000 0.740 656 Q CB 1.277 30.021 28.738 0.009 0.000 1.308 656 Q HN 0.894 nan 8.270 nan 0.000 0.461 657 G N 2.048 110.842 108.800 -0.010 0.000 2.543 657 G HA2 -0.326 3.642 3.960 0.014 0.000 0.286 657 G HA3 -0.326 3.642 3.960 0.014 0.000 0.286 657 G C 0.337 175.210 174.900 -0.045 0.000 1.153 657 G CA 0.371 45.460 45.100 -0.018 0.000 0.968 657 G HN 0.590 nan 8.290 nan 0.000 0.544 658 S N 1.070 116.747 115.700 -0.039 0.000 2.593 658 S HA 0.384 4.862 4.470 0.014 0.000 0.236 658 S C 0.460 175.033 174.600 -0.044 0.000 0.991 658 S CA 0.814 58.984 58.200 -0.051 0.000 0.963 658 S CB 0.689 63.869 63.200 -0.033 0.000 0.865 658 S HN 0.839 nan 8.310 nan 0.000 0.488 659 T N 2.738 117.270 114.554 -0.036 0.000 2.727 659 T HA 0.337 4.696 4.350 0.014 0.000 0.295 659 T C -0.067 174.599 174.700 -0.056 0.000 0.915 659 T CA -0.086 62.001 62.100 -0.022 0.000 1.066 659 T CB 0.896 69.760 68.868 -0.006 0.000 0.891 659 T HN -0.071 nan 8.240 nan 0.000 0.516 660 V N 4.519 124.397 119.914 -0.061 0.000 2.394 660 V HA 0.407 4.535 4.120 0.014 0.000 0.282 660 V C 0.388 176.450 176.094 -0.055 0.000 1.031 660 V CA -0.622 61.588 62.300 -0.150 0.000 0.881 660 V CB 1.693 33.391 31.823 -0.209 0.000 0.982 660 V HN 0.929 nan 8.190 nan 0.000 0.451 661 T N 4.586 119.114 114.554 -0.043 0.000 2.864 661 T HA 0.374 4.733 4.350 0.014 0.000 0.310 661 T C -0.624 174.211 174.700 0.225 0.000 1.040 661 T CA -0.304 61.874 62.100 0.130 0.000 0.977 661 T CB 0.338 69.276 68.868 0.117 0.000 0.976 661 T HN 0.548 nan 8.240 nan 0.000 0.459 662 W N 1.863 123.276 121.300 0.189 0.000 2.283 662 W HA 0.366 5.034 4.660 0.014 0.000 0.341 662 W C 0.886 177.461 176.519 0.092 0.000 1.206 662 W CA -0.883 56.543 57.345 0.134 0.000 1.294 662 W CB 0.440 29.913 29.460 0.022 0.000 1.154 662 W HN 0.532 nan 8.180 nan 0.000 0.613 663 E N 0.683 120.906 120.200 0.038 0.000 2.398 663 E HA 0.227 4.586 4.350 0.014 0.000 0.263 663 E C 0.596 177.138 176.600 -0.098 0.000 1.046 663 E CA -0.031 56.106 56.400 -0.438 0.000 0.908 663 E CB 0.591 29.924 29.700 -0.612 0.000 0.963 663 E HN 0.591 nan 8.360 nan 0.000 0.431 664 G N 0.574 109.307 108.800 -0.112 0.000 2.543 664 G HA2 0.546 4.514 3.960 0.014 0.000 0.290 664 G HA3 0.546 4.514 3.960 0.014 0.000 0.290 664 G C 0.201 175.038 174.900 -0.105 0.000 1.310 664 G CA 0.060 45.125 45.100 -0.058 0.000 1.025 664 G HN 0.753 nan 8.290 nan 0.000 0.502 665 G N -1.824 106.925 108.800 -0.086 0.000 2.760 665 G HA2 0.399 4.367 3.960 0.014 0.000 0.246 665 G HA3 0.399 4.367 3.960 0.014 0.000 0.246 665 G C 0.239 175.071 174.900 -0.112 0.000 1.359 665 G CA 0.032 45.079 45.100 -0.089 0.000 0.861 665 G HN 1.971 nan 8.290 nan 0.000 0.541 666 A N -0.070 122.690 122.820 -0.100 0.000 2.287 666 A HA 0.657 4.985 4.320 0.014 0.000 0.273 666 A C 0.698 178.212 177.584 -0.116 0.000 1.091 666 A CA -0.049 51.923 52.037 -0.108 0.000 0.817 666 A CB 0.195 19.148 19.000 -0.078 0.000 1.069 666 A HN 0.989 nan 8.150 nan 0.000 0.492 667 N N 1.078 119.712 118.700 -0.110 0.000 2.492 667 N HA 0.121 4.869 4.740 0.014 0.000 0.262 667 N C -0.154 175.277 175.510 -0.131 0.000 1.202 667 N CA 0.283 53.290 53.050 -0.071 0.000 0.926 667 N CB 0.416 38.941 38.487 0.062 0.000 1.078 667 N HN 0.532 nan 8.380 nan 0.000 0.454 668 R N 0.351 120.650 120.500 -0.335 0.000 2.539 668 R HA 0.309 4.657 4.340 0.014 0.000 0.275 668 R C 0.363 176.412 176.300 -0.418 0.000 1.077 668 R CA -0.277 55.495 56.100 -0.546 0.000 1.097 668 R CB 0.259 29.860 30.300 -1.165 0.000 1.018 668 R HN 0.579 nan 8.270 nan 0.000 0.483 669 T N -1.040 113.481 114.554 -0.055 0.000 2.924 669 T HA 0.683 5.041 4.350 0.014 0.000 0.291 669 T C -0.875 174.139 174.700 0.524 0.000 1.045 669 T CA -0.796 61.444 62.100 0.233 0.000 1.015 669 T CB 1.536 70.496 68.868 0.155 0.000 1.103 669 T HN 0.485 nan 8.240 nan 0.000 0.496 670 F N 0.654 120.833 119.950 0.382 0.000 2.622 670 F HA 0.514 5.049 4.527 0.014 0.000 0.318 670 F C -1.148 174.765 175.800 0.189 0.000 1.135 670 F CA -0.641 57.549 58.000 0.317 0.000 1.015 670 F CB 1.877 41.124 39.000 0.412 0.000 1.275 670 F HN 0.727 nan 8.300 nan 0.000 0.457 671 T N 4.083 118.288 114.554 -0.582 0.000 2.738 671 T HA 0.360 4.718 4.350 0.014 0.000 0.298 671 T C 0.081 174.207 174.700 -0.957 0.000 0.962 671 T CA -0.336 61.456 62.100 -0.513 0.000 0.972 671 T CB 0.343 69.055 68.868 -0.259 0.000 0.928 671 T HN 0.751 nan 8.240 nan 0.000 0.474 672 T N 3.428 117.614 114.554 -0.614 0.000 2.932 672 T HA 0.233 4.591 4.350 0.014 0.000 0.312 672 T C -2.129 172.452 174.700 -0.198 0.000 1.071 672 T CA -1.453 60.435 62.100 -0.353 0.000 1.128 672 T CB 0.128 68.986 68.868 -0.018 0.000 0.984 672 T HN 0.254 nan 8.240 nan 0.000 0.549 673 P HA 0.082 nan 4.420 nan 0.000 0.271 673 P C 1.124 178.424 177.300 -0.000 0.000 1.233 673 P CA -0.266 62.823 63.100 -0.018 0.000 0.789 673 P CB 0.498 32.226 31.700 0.045 0.000 0.951 674 T N -2.619 111.937 114.554 0.004 0.000 3.043 674 T HA 0.081 4.439 4.350 0.014 0.000 0.263 674 T C 0.852 175.567 174.700 0.024 0.000 1.094 674 T CA 0.545 62.651 62.100 0.009 0.000 1.127 674 T CB -0.402 68.469 68.868 0.005 0.000 0.905 674 T HN 0.681 nan 8.240 nan 0.000 0.490 675 S N -1.162 114.561 115.700 0.038 0.000 2.615 675 S HA 0.679 5.157 4.470 0.014 0.000 0.269 675 S C 0.147 174.793 174.600 0.075 0.000 1.161 675 S CA -0.438 57.794 58.200 0.054 0.000 0.817 675 S CB 1.311 64.537 63.200 0.044 0.000 1.131 675 S HN 1.441 nan 8.310 nan 0.000 0.467 676 G N 0.734 109.595 108.800 0.102 0.000 2.693 676 G HA2 0.212 4.180 3.960 0.014 0.000 0.226 676 G HA3 0.212 4.180 3.960 0.014 0.000 0.226 676 G C -0.084 174.901 174.900 0.140 0.000 1.354 676 G CA 0.200 45.373 45.100 0.121 0.000 0.873 676 G HN 2.200 nan 8.290 nan 0.000 0.562 677 T N -2.207 112.431 114.554 0.141 0.000 2.919 677 T HA 1.032 5.390 4.350 0.014 0.000 0.282 677 T C 0.182 174.961 174.700 0.131 0.000 1.020 677 T CA 0.544 62.735 62.100 0.152 0.000 0.994 677 T CB 1.909 70.876 68.868 0.165 0.000 1.180 677 T HN 2.590 nan 8.240 nan 0.000 0.566 678 A N 0.156 123.049 122.820 0.122 0.000 2.606 678 A HA 0.742 5.071 4.320 0.014 0.000 0.293 678 A C -0.639 176.939 177.584 -0.010 0.000 1.082 678 A CA -0.932 51.178 52.037 0.120 0.000 0.685 678 A CB 1.441 20.628 19.000 0.311 0.000 1.284 678 A HN 0.885 nan 8.150 nan 0.000 0.408 679 T N 0.868 115.385 114.554 -0.062 0.000 2.824 679 T HA 0.569 4.927 4.350 0.014 0.000 0.282 679 T C -0.992 173.530 174.700 -0.296 0.000 0.993 679 T CA -0.358 61.656 62.100 -0.143 0.000 0.967 679 T CB 1.415 70.280 68.868 -0.004 0.000 0.960 679 T HN 0.653 nan 8.240 nan 0.000 0.441 680 V N 4.403 124.033 119.914 -0.473 0.000 2.357 680 V HA 0.460 4.589 4.120 0.014 0.000 0.284 680 V C -0.092 175.925 176.094 -0.128 0.000 1.018 680 V CA -0.909 61.127 62.300 -0.439 0.000 0.841 680 V CB 1.279 32.651 31.823 -0.752 0.000 0.991 680 V HN 0.759 nan 8.190 nan 0.000 0.437 681 N N 4.451 123.121 118.700 -0.049 0.000 2.446 681 N HA 0.632 5.381 4.740 0.014 0.000 0.265 681 N C -0.782 174.745 175.510 0.028 0.000 0.975 681 N CA -0.081 52.950 53.050 -0.032 0.000 0.928 681 N CB 2.072 40.533 38.487 -0.042 0.000 1.160 681 N HN 0.568 nan 8.380 nan 0.000 0.495 682 V N 1.184 121.123 119.914 0.041 0.000 3.167 682 V HA 0.694 4.822 4.120 0.014 0.000 0.310 682 V C -0.451 175.650 176.094 0.011 0.000 1.207 682 V CA -1.086 61.255 62.300 0.070 0.000 1.059 682 V CB 1.830 33.773 31.823 0.199 0.000 1.079 682 V HN 0.467 nan 8.190 nan 0.000 0.446 683 N N 0.695 119.414 118.700 0.031 0.000 2.370 683 N HA 0.376 5.124 4.740 0.014 0.000 0.303 683 N C -1.000 174.550 175.510 0.067 0.000 1.103 683 N CA -0.519 52.558 53.050 0.045 0.000 0.848 683 N CB 1.565 40.085 38.487 0.055 0.000 1.235 683 N HN 0.958 nan 8.380 nan 0.000 0.496 684 W N 2.527 123.797 121.300 -0.050 0.000 2.322 684 W HA 0.037 4.705 4.660 0.014 0.000 0.328 684 W C -0.786 175.745 176.519 0.020 0.000 1.395 684 W CA 0.170 57.503 57.345 -0.020 0.000 1.267 684 W CB 0.281 29.716 29.460 -0.041 0.000 1.259 684 W HN 0.440 nan 8.180 nan 0.000 0.560 685 Q N 7.503 127.043 119.800 -0.434 0.000 2.331 685 Q HA 0.227 4.576 4.340 0.014 0.000 0.257 685 Q C -1.948 173.879 176.000 -0.288 0.000 0.957 685 Q CA -1.703 53.958 55.803 -0.237 0.000 0.923 685 Q CB 1.212 29.821 28.738 -0.215 0.000 1.212 685 Q HN 0.183 nan 8.270 nan 0.000 0.443 686 P HA 0.000 nan 4.420 nan 0.000 0.216 686 P CA 0.000 63.245 63.100 0.242 0.000 0.800 686 P CB 0.000 31.838 31.700 0.230 0.000 0.726