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 3l4v_1_A DATA FIRST_RESID 7 DATA SEQUENCE VNELERINcI PDQPPTKATC DQRGcCWNPQ GAVSVPWCYY SKNHSYHVEG DATA SEQUENCE NLVNTNAGFT ARLKNLPSSP VFGSNVDNVL LTAEYQTSNR FHFKLTDQTN DATA SEQUENCE NRFEVPHEHV QSFSGNAAAS LTYQVEISRQ PFSIKVTRRS NNRVLFDSSI DATA SEQUENCE GPLLFADQFL QLSTRLPSTN VYGLGEHVHQ QYRHDMNWKT WPIFNRDTTP DATA SEQUENCE NGNGTNLYGA QTFFLCLEDA SGLSFGVFLM NSNAMEVVLQ PAPAITYRTI DATA SEQUENCE GGILDFYVFL GNTPEQVVQE YLELIGRPAL PSYWALGFHL SRYEYGTLDN DATA SEQUENCE MREVVERNRA AQLPYDVQHA DIDYMDERRD FTYDSVDFKG FPEFVNELHN DATA SEQUENCE NGQKLVIIVD PAISNNSSSS KPYGPYDRGS DMKIWVNSSD GVTPLIGEVW DATA SEQUENCE PGQTVFPDYT NPNCAVWWTK EFELFHNQVE FDGIWIDMNE VSNFVDGSVS DATA SEQUENCE GCSTNNLNNP PFTPRILDGY LFCKTLCMDA VQHWGKQYDI HNLYGYSMAV DATA SEQUENCE ATAEAAKTVF PNKRSFILTR STFAGSGKFA AHWLGDNTAT WDDLRWSIPG DATA SEQUENCE VLEFNLFGIP MVGPDIcGFA LDTPEELcRR WMQLGAFYPF SRNHNGQGYK DATA SEQUENCE DQDPASFGAD SLLLNSSRHY LNIRYTLLPY LYTLFFRAHS RGDTVARPLL DATA SEQUENCE HEFYEDNSTW DVHQQFLWGP GLLITPVLDE GAEKVMAYVP DAVWYDYETG DATA SEQUENCE SQVRWRKQKV EMELPGDKIG LHLRGGYIFP TQQPNTTTLA SRKNPLGLII DATA SEQUENCE ALDENKEAKG ELFWDDGETK DTVANKVYLL CEFSVTQNRL EVNISQSTYK DATA SEQUENCE DPNNLAFNEI KILGTEEPSN VTVKHNGVPS XTSPTVTYDS NLKVAIITDI DATA SEQUENCE DLLLGEAYTV EWAH 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 7 V HA 0.000 nan 4.120 nan 0.000 0.244 7 V C 0.000 176.059 176.094 -0.058 0.000 1.182 7 V CA 0.000 62.292 62.300 -0.014 0.000 1.235 7 V CB 0.000 31.769 31.823 -0.090 0.000 1.184 8 N N 3.546 122.223 118.700 -0.040 0.000 2.292 8 N HA -0.047 4.692 4.740 -0.001 0.000 0.258 8 N C 1.341 176.817 175.510 -0.058 0.000 1.261 8 N CA 0.673 53.701 53.050 -0.037 0.000 0.845 8 N CB 0.958 39.431 38.487 -0.024 0.000 1.064 8 N HN 0.991 nan 8.380 nan 0.000 0.471 9 E N 4.284 124.462 120.200 -0.036 0.000 2.204 9 E HA -0.207 4.143 4.350 -0.001 0.000 0.195 9 E C 1.340 178.019 176.600 0.131 0.000 0.990 9 E CA 1.033 57.423 56.400 -0.017 0.000 0.821 9 E CB -0.235 29.463 29.700 -0.004 0.000 0.750 9 E HN 0.702 nan 8.360 nan 0.000 0.477 10 L N 0.543 121.835 121.223 0.114 0.000 2.362 10 L HA -0.053 4.287 4.340 -0.001 0.000 0.219 10 L C 1.581 178.444 176.870 -0.012 0.000 1.134 10 L CA 1.072 55.964 54.840 0.088 0.000 0.807 10 L CB -0.268 41.769 42.059 -0.037 0.000 0.927 10 L HN 0.166 nan 8.230 nan 0.000 0.447 11 E N -0.293 119.906 120.200 -0.002 0.000 2.476 11 E HA 0.110 4.460 4.350 -0.001 0.000 0.196 11 E C 0.107 176.705 176.600 -0.004 0.000 1.029 11 E CA -0.257 56.126 56.400 -0.028 0.000 0.896 11 E CB 0.465 30.140 29.700 -0.041 0.000 1.012 11 E HN 0.377 nan 8.360 nan 0.000 0.475 12 R N 1.399 121.893 120.500 -0.010 0.000 2.442 12 R HA 0.179 4.518 4.340 -0.001 0.000 0.291 12 R C -0.166 176.228 176.300 0.156 0.000 1.069 12 R CA -0.006 56.036 56.100 -0.098 0.000 1.022 12 R CB 0.831 30.885 30.300 -0.410 0.000 0.976 12 R HN -0.019 nan 8.270 nan 0.000 0.443 13 I N 3.072 123.790 120.570 0.247 0.000 2.312 13 I HA 0.063 4.233 4.170 -0.001 0.000 0.290 13 I C 0.211 176.555 176.117 0.377 0.000 1.008 13 I CA -1.001 60.500 61.300 0.336 0.000 1.226 13 I CB 0.865 39.093 38.000 0.378 0.000 1.371 13 I HN 0.524 nan 8.210 nan 0.000 0.468 14 N N 4.743 123.618 118.700 0.291 0.000 2.452 14 N HA -0.060 4.680 4.740 -0.001 0.000 0.266 14 N C 0.782 176.326 175.510 0.058 0.000 1.209 14 N CA 0.255 53.409 53.050 0.173 0.000 0.929 14 N CB 0.631 39.212 38.487 0.157 0.000 1.063 14 N HN 0.740 nan 8.380 nan 0.000 0.472 15 c N 4.443 122.907 118.600 -0.227 0.000 2.696 15 c HA 0.391 4.961 4.570 -0.001 0.000 0.264 15 c C 0.665 174.668 174.090 -0.145 0.000 1.288 15 c CA -0.239 55.734 56.329 -0.593 0.000 1.717 15 c CB -1.113 40.906 42.510 -0.819 0.000 1.893 15 c HN 0.714 nan 8.230 nan 0.000 0.577 16 I N 2.379 122.951 120.570 0.004 0.000 2.833 16 I HA 0.256 4.426 4.170 -0.001 0.000 0.286 16 I C -1.685 174.514 176.117 0.136 0.000 1.287 16 I CA -1.064 60.288 61.300 0.087 0.000 1.046 16 I CB 1.053 39.104 38.000 0.085 0.000 1.612 16 I HN 0.089 nan 8.210 nan 0.000 0.585 17 P HA -0.054 nan 4.420 nan 0.000 0.241 17 P C 0.447 177.943 177.300 0.326 0.000 1.191 17 P CA 0.977 64.223 63.100 0.243 0.000 0.771 17 P CB 0.240 32.092 31.700 0.252 0.000 0.929 18 D N -0.828 119.778 120.400 0.343 0.000 2.389 18 D HA -0.000 4.639 4.640 -0.001 0.000 0.206 18 D C 0.753 177.136 176.300 0.138 0.000 1.055 18 D CA 0.337 54.527 54.000 0.316 0.000 0.856 18 D CB 0.274 41.366 40.800 0.487 0.000 0.957 18 D HN 0.359 nan 8.370 nan 0.000 0.509 19 Q N -0.329 119.534 119.800 0.104 0.000 2.575 19 Q HA 0.467 4.807 4.340 -0.001 0.000 0.290 19 Q C -3.191 172.819 176.000 0.017 0.000 0.963 19 Q CA -1.736 54.094 55.803 0.046 0.000 0.783 19 Q CB 1.124 29.894 28.738 0.055 0.000 1.467 19 Q HN -0.279 nan 8.270 nan 0.000 0.402 20 P HA 0.160 nan 4.420 nan 0.000 0.266 20 P C -2.403 174.912 177.300 0.025 0.000 1.195 20 P CA -0.669 62.406 63.100 -0.042 0.000 0.768 20 P CB -0.412 31.259 31.700 -0.049 0.000 0.838 21 P HA 0.122 nan 4.420 nan 0.000 0.276 21 P C -0.493 177.076 177.300 0.448 0.000 1.235 21 P CA 0.145 63.401 63.100 0.260 0.000 0.772 21 P CB 0.488 32.353 31.700 0.275 0.000 0.871 22 T N -1.131 113.589 114.554 0.276 0.000 2.900 22 T HA 0.313 4.662 4.350 -0.001 0.000 0.295 22 T C 0.948 175.297 174.700 -0.584 0.000 1.044 22 T CA -0.935 61.151 62.100 -0.023 0.000 0.995 22 T CB 2.271 71.103 68.868 -0.061 0.000 1.072 22 T HN 0.275 nan 8.240 nan 0.000 0.473 23 K N 0.902 120.560 120.400 -1.238 0.000 2.103 23 K HA -0.089 4.231 4.320 -0.001 0.000 0.207 23 K C 2.321 178.544 176.600 -0.627 0.000 1.048 23 K CA 1.456 56.876 56.287 -1.446 0.000 0.930 23 K CB -0.678 30.948 32.500 -1.456 0.000 0.716 23 K HN 0.754 nan 8.250 nan 0.000 0.444 24 A N 0.405 122.982 122.820 -0.406 0.000 1.902 24 A HA -0.138 4.181 4.320 -0.001 0.000 0.217 24 A C 2.170 179.640 177.584 -0.190 0.000 1.181 24 A CA 2.154 54.043 52.037 -0.246 0.000 0.623 24 A CB -0.949 17.946 19.000 -0.175 0.000 0.818 24 A HN 0.380 nan 8.150 nan 0.000 0.443 25 T N -1.063 113.393 114.554 -0.164 0.000 2.788 25 T HA -0.186 4.164 4.350 -0.001 0.000 0.268 25 T C 1.965 176.595 174.700 -0.117 0.000 1.044 25 T CA 1.377 63.408 62.100 -0.115 0.000 1.139 25 T CB -0.781 68.047 68.868 -0.066 0.000 0.867 25 T HN 0.644 nan 8.240 nan 0.000 0.454 26 C N 1.870 121.098 119.300 -0.119 0.000 2.413 26 C HA -0.143 4.317 4.460 -0.001 0.000 0.277 26 C C 2.408 177.330 174.990 -0.113 0.000 1.228 26 C CA 1.162 60.137 59.018 -0.072 0.000 1.731 26 C CB -1.161 26.600 27.740 0.035 0.000 2.042 26 C HN 0.504 nan 8.230 nan 0.000 0.468 27 D N -0.206 120.102 120.400 -0.154 0.000 2.104 27 D HA -0.197 4.442 4.640 -0.001 0.000 0.194 27 D C 2.198 178.426 176.300 -0.120 0.000 0.994 27 D CA 1.674 55.593 54.000 -0.135 0.000 0.830 27 D CB -0.854 39.854 40.800 -0.153 0.000 0.959 27 D HN 0.764 nan 8.370 nan 0.000 0.452 28 Q N 0.740 120.465 119.800 -0.125 0.000 2.181 28 Q HA -0.177 4.163 4.340 -0.001 0.000 0.205 28 Q C 1.654 177.579 176.000 -0.124 0.000 0.980 28 Q CA 1.252 56.986 55.803 -0.115 0.000 0.862 28 Q CB 0.051 28.722 28.738 -0.113 0.000 0.905 28 Q HN 0.231 nan 8.270 nan 0.000 0.429 29 R N -1.057 119.362 120.500 -0.135 0.000 2.297 29 R HA 0.097 4.437 4.340 -0.001 0.000 0.197 29 R C 0.993 177.206 176.300 -0.145 0.000 0.943 29 R CA 0.504 56.515 56.100 -0.148 0.000 1.038 29 R CB 0.346 30.548 30.300 -0.164 0.000 0.957 29 R HN 0.476 nan 8.270 nan 0.000 0.484 30 G N 0.926 109.649 108.800 -0.129 0.000 2.176 30 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.252 30 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.252 30 G C 0.223 175.057 174.900 -0.110 0.000 1.024 30 G CA 0.111 45.137 45.100 -0.123 0.000 0.755 30 G HN 0.333 nan 8.290 nan 0.000 0.507 31 c N -0.971 117.563 118.600 -0.109 0.000 2.534 31 c HA 0.782 5.352 4.570 -0.001 0.000 0.398 31 c C 1.374 175.378 174.090 -0.143 0.000 1.609 31 c CA -0.420 55.836 56.329 -0.122 0.000 1.916 31 c CB 1.120 43.513 42.510 -0.195 0.000 1.954 31 c HN 0.686 nan 8.230 nan 0.000 0.508 32 C N 1.021 120.141 119.300 -0.301 0.000 2.358 32 C HA 0.544 5.004 4.460 -0.001 0.000 0.342 32 C C -0.364 174.416 174.990 -0.350 0.000 1.234 32 C CA -0.611 58.162 59.018 -0.409 0.000 1.969 32 C CB 0.147 27.387 27.740 -0.834 0.000 2.346 32 C HN 0.859 nan 8.230 nan 0.000 0.525 33 W N 4.405 125.517 121.300 -0.312 0.000 2.532 33 W HA 0.430 5.090 4.660 -0.000 0.000 0.321 33 W C -0.765 175.698 176.519 -0.094 0.000 1.037 33 W CA -0.135 57.111 57.345 -0.164 0.000 1.220 33 W CB 1.097 30.487 29.460 -0.117 0.000 1.361 33 W HN 0.706 nan 8.180 nan 0.000 0.468 34 N N 8.028 126.350 118.700 -0.630 0.000 2.827 34 N HA 0.113 4.853 4.740 -0.001 0.000 0.240 34 N C -2.144 172.853 175.510 -0.855 0.000 1.352 34 N CA -1.126 51.611 53.050 -0.523 0.000 0.760 34 N CB 1.556 40.004 38.487 -0.066 0.000 1.426 34 N HN 0.146 nan 8.380 nan 0.000 0.561 35 P HA -0.015 nan 4.420 nan 0.000 0.244 35 P C -0.295 176.258 177.300 -1.244 0.000 1.211 35 P CA 0.503 62.431 63.100 -1.953 0.000 0.760 35 P CB 0.388 31.079 31.700 -1.682 0.000 0.961 36 Q N 0.332 119.757 119.800 -0.626 0.000 2.278 36 Q HA 0.649 4.989 4.340 -0.001 0.000 0.257 36 Q C 0.270 176.174 176.000 -0.160 0.000 0.928 36 Q CA 0.115 55.732 55.803 -0.310 0.000 0.932 36 Q CB 1.520 30.133 28.738 -0.208 0.000 1.221 36 Q HN 0.165 nan 8.270 nan 0.000 0.434 37 G N 0.674 109.441 108.800 -0.054 0.000 2.384 37 G HA2 0.484 4.444 3.960 -0.001 0.000 0.300 37 G HA3 0.484 4.444 3.960 -0.001 0.000 0.300 37 G C -1.302 173.602 174.900 0.007 0.000 1.582 37 G CA -0.411 44.679 45.100 -0.017 0.000 0.875 37 G HN 0.690 nan 8.290 nan 0.000 0.628 38 A N 0.112 122.921 122.820 -0.020 0.000 2.455 38 A HA 0.566 4.885 4.320 -0.001 0.000 0.244 38 A C 1.292 178.815 177.584 -0.101 0.000 1.099 38 A CA 0.496 52.517 52.037 -0.027 0.000 0.786 38 A CB 0.492 19.497 19.000 0.008 0.000 1.051 38 A HN 2.180 nan 8.150 nan 0.000 0.508 39 V N 1.440 121.298 119.914 -0.094 0.000 2.720 39 V HA 0.203 4.323 4.120 -0.001 0.000 0.307 39 V C 1.144 177.034 176.094 -0.339 0.000 1.071 39 V CA 2.027 64.229 62.300 -0.162 0.000 1.199 39 V CB 0.341 32.106 31.823 -0.097 0.000 0.900 39 V HN 1.621 nan 8.190 nan 0.000 0.494 40 S N 1.543 116.980 115.700 -0.438 0.000 2.524 40 S HA -0.171 4.299 4.470 -0.001 0.000 0.254 40 S C 0.169 174.072 174.600 -1.163 0.000 1.258 40 S CA 0.852 58.652 58.200 -0.668 0.000 1.448 40 S CB -1.407 61.459 63.200 -0.558 0.000 1.806 40 S HN 0.952 nan 8.310 nan 0.000 0.630 41 V N 4.476 123.752 119.914 -1.063 0.000 2.529 41 V HA 0.213 4.333 4.120 -0.001 0.000 0.292 41 V C -1.773 174.006 176.094 -0.525 0.000 1.028 41 V CA -0.995 60.708 62.300 -0.995 0.000 1.074 41 V CB 0.115 31.674 31.823 -0.441 0.000 0.958 41 V HN 0.159 nan 8.190 nan 0.000 0.481 42 P HA 0.029 nan 4.420 nan 0.000 0.267 42 P C 0.070 177.423 177.300 0.088 0.000 1.209 42 P CA -0.122 62.896 63.100 -0.137 0.000 0.763 42 P CB 0.447 32.144 31.700 -0.004 0.000 0.816 43 W N 2.337 123.505 121.300 -0.220 0.000 2.425 43 W HA -0.014 4.645 4.660 -0.001 0.000 0.277 43 W C 0.957 177.293 176.519 -0.306 0.000 1.231 43 W CA 0.018 57.112 57.345 -0.417 0.000 1.248 43 W CB -0.659 28.415 29.460 -0.643 0.000 1.117 43 W HN 0.266 nan 8.180 nan 0.000 0.568 44 C N 1.234 120.650 119.300 0.193 0.000 2.364 44 C HA 0.661 5.120 4.460 -0.001 0.000 0.324 44 C C -0.762 174.305 174.990 0.128 0.000 1.234 44 C CA -0.862 58.264 59.018 0.179 0.000 1.417 44 C CB -0.895 27.023 27.740 0.298 0.000 2.101 44 C HN 0.211 nan 8.230 nan 0.000 0.466 45 Y N 2.796 123.078 120.300 -0.030 0.000 2.588 45 Y HA 0.703 5.252 4.550 -0.000 0.000 0.343 45 Y C -1.301 174.569 175.900 -0.050 0.000 1.065 45 Y CA -1.511 56.554 58.100 -0.058 0.000 1.038 45 Y CB 0.321 38.811 38.460 0.049 0.000 1.297 45 Y HN 0.592 nan 8.280 nan 0.000 0.467 46 Y N 1.696 122.177 120.300 0.301 0.000 2.497 46 Y HA 0.301 4.851 4.550 -0.001 0.000 0.334 46 Y C 1.055 177.101 175.900 0.245 0.000 1.199 46 Y CA 0.169 58.414 58.100 0.242 0.000 1.425 46 Y CB 0.718 39.343 38.460 0.275 0.000 1.291 46 Y HN 0.761 nan 8.280 nan 0.000 0.562 47 S N 2.562 118.465 115.700 0.338 0.000 2.589 47 S HA 0.100 4.570 4.470 -0.001 0.000 0.265 47 S C 1.151 175.904 174.600 0.254 0.000 1.342 47 S CA -0.958 57.387 58.200 0.241 0.000 1.005 47 S CB 0.977 64.281 63.200 0.172 0.000 0.909 47 S HN 0.665 nan 8.310 nan 0.000 0.555 48 K N 1.215 121.732 120.400 0.195 0.000 2.032 48 K HA -0.152 4.168 4.320 -0.001 0.000 0.218 48 K C 0.817 177.493 176.600 0.126 0.000 1.054 48 K CA 1.566 57.939 56.287 0.143 0.000 0.941 48 K CB -0.522 32.042 32.500 0.107 0.000 0.720 48 K HN 0.616 nan 8.250 nan 0.000 0.449 49 N N -0.485 118.295 118.700 0.132 0.000 2.538 49 N HA 0.041 4.781 4.740 -0.001 0.000 0.292 49 N C -0.443 175.191 175.510 0.206 0.000 1.262 49 N CA -0.230 52.897 53.050 0.128 0.000 0.976 49 N CB 1.005 39.552 38.487 0.101 0.000 1.161 49 N HN 0.348 nan 8.380 nan 0.000 0.598 50 H N -0.617 118.506 119.070 0.087 0.000 4.850 50 H HA -0.235 4.320 4.556 -0.000 0.000 0.264 50 H C -0.639 174.749 175.328 0.100 0.000 0.536 50 H CA 0.829 56.926 56.048 0.082 0.000 0.699 50 H CB -0.867 28.946 29.762 0.085 0.000 0.876 50 H HN 0.780 nan 8.280 nan 0.000 0.309 51 S N 1.542 116.872 115.700 -0.616 0.000 4.156 51 S HA -0.032 4.438 4.470 -0.001 0.000 0.592 51 S C -1.754 172.751 174.600 -0.160 0.000 1.680 51 S CA 0.238 58.167 58.200 -0.452 0.000 3.534 51 S CB -0.945 62.142 63.200 -0.189 0.000 0.466 51 S HN 0.866 nan 8.310 nan 0.000 0.534 52 Y N 2.296 122.602 120.300 0.010 0.000 2.549 52 Y HA 0.747 5.297 4.550 -0.000 0.000 0.339 52 Y C 0.343 176.306 175.900 0.106 0.000 1.053 52 Y CA 0.224 58.328 58.100 0.007 0.000 1.105 52 Y CB 1.589 40.004 38.460 -0.076 0.000 1.258 52 Y HN 0.904 nan 8.280 nan 0.000 0.478 53 H N -1.996 117.199 119.070 0.208 0.000 2.731 53 H HA 0.758 5.314 4.556 -0.001 0.000 0.368 53 H C -1.504 173.916 175.328 0.154 0.000 1.168 53 H CA -1.341 54.810 56.048 0.172 0.000 1.181 53 H CB 0.616 30.436 29.762 0.097 0.000 1.743 53 H HN 0.343 nan 8.280 nan 0.000 0.547 54 V N 1.609 121.686 119.914 0.272 0.000 2.555 54 V HA 0.081 4.200 4.120 -0.001 0.000 0.286 54 V C 0.386 176.619 176.094 0.231 0.000 1.044 54 V CA -0.173 62.228 62.300 0.168 0.000 1.026 54 V CB 0.557 32.486 31.823 0.176 0.000 0.981 54 V HN 0.856 nan 8.190 nan 0.000 0.480 55 E N 4.021 124.279 120.200 0.096 0.000 2.134 55 E HA 0.554 4.904 4.350 -0.001 0.000 0.278 55 E C 0.529 177.179 176.600 0.083 0.000 0.959 55 E CA 0.796 57.276 56.400 0.133 0.000 0.783 55 E CB 0.907 30.646 29.700 0.064 0.000 1.095 55 E HN 1.018 nan 8.360 nan 0.000 0.399 56 G N 4.256 113.107 108.800 0.085 0.000 2.569 56 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.259 56 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.259 56 G C -0.378 174.547 174.900 0.043 0.000 1.263 56 G CA -0.104 45.027 45.100 0.052 0.000 0.928 56 G HN 0.652 nan 8.290 nan 0.000 0.572 57 N N -0.416 118.302 118.700 0.030 0.000 2.489 57 N HA 0.621 5.360 4.740 -0.001 0.000 0.284 57 N C 0.162 175.686 175.510 0.025 0.000 1.158 57 N CA -0.717 52.345 53.050 0.019 0.000 0.965 57 N CB 1.029 39.522 38.487 0.011 0.000 1.195 57 N HN 0.474 nan 8.380 nan 0.000 0.506 58 L N 0.514 121.741 121.223 0.007 0.000 2.439 58 L HA 0.203 4.543 4.340 -0.001 0.000 0.269 58 L C 0.028 176.928 176.870 0.050 0.000 1.179 58 L CA -0.009 54.846 54.840 0.025 0.000 0.828 58 L CB 0.415 42.418 42.059 -0.094 0.000 1.106 58 L HN 0.198 nan 8.230 nan 0.000 0.467 59 V N 3.144 123.123 119.914 0.109 0.000 2.378 59 V HA 0.314 4.434 4.120 -0.001 0.000 0.288 59 V C 0.131 176.323 176.094 0.164 0.000 1.016 59 V CA -1.046 61.317 62.300 0.105 0.000 0.840 59 V CB 1.252 33.126 31.823 0.086 0.000 0.994 59 V HN 0.682 nan 8.190 nan 0.000 0.431 60 N N 3.392 122.175 118.700 0.138 0.000 2.454 60 N HA 0.188 4.928 4.740 -0.001 0.000 0.260 60 N C 0.261 175.860 175.510 0.148 0.000 1.218 60 N CA 0.313 53.466 53.050 0.171 0.000 0.904 60 N CB 1.442 40.002 38.487 0.122 0.000 1.065 60 N HN 0.868 nan 8.380 nan 0.000 0.462 61 T N -1.256 113.402 114.554 0.174 0.000 2.910 61 T HA 0.288 4.638 4.350 -0.001 0.000 0.287 61 T C 0.995 175.785 174.700 0.151 0.000 1.050 61 T CA -0.846 61.334 62.100 0.134 0.000 1.011 61 T CB 1.186 70.123 68.868 0.115 0.000 1.195 61 T HN 0.362 nan 8.240 nan 0.000 0.540 62 N N 0.117 118.893 118.700 0.125 0.000 2.104 62 N HA -0.093 4.646 4.740 -0.001 0.000 0.190 62 N C 2.049 177.685 175.510 0.210 0.000 1.024 62 N CA 1.145 54.275 53.050 0.133 0.000 0.853 62 N CB -0.228 38.312 38.487 0.088 0.000 1.008 62 N HN 0.741 nan 8.380 nan 0.000 0.424 63 A N -0.319 122.654 122.820 0.256 0.000 2.021 63 A HA 0.339 4.658 4.320 -0.001 0.000 0.216 63 A C 1.438 179.237 177.584 0.359 0.000 1.163 63 A CA 1.496 53.772 52.037 0.398 0.000 0.676 63 A CB -0.015 19.263 19.000 0.463 0.000 0.818 63 A HN 0.451 nan 8.150 nan 0.000 0.453 64 G N -1.773 107.210 108.800 0.305 0.000 2.445 64 G HA2 0.397 4.356 3.960 -0.001 0.000 0.104 64 G HA3 0.397 4.356 3.960 -0.001 0.000 0.104 64 G C -0.398 174.729 174.900 0.378 0.000 0.958 64 G CA 0.130 45.468 45.100 0.396 0.000 1.324 64 G HN 1.097 nan 8.290 nan 0.000 0.549 65 F N 0.169 120.192 119.950 0.123 0.000 2.719 65 F HA 0.783 5.309 4.527 -0.001 0.000 0.309 65 F C -0.546 175.272 175.800 0.030 0.000 1.138 65 F CA -0.367 57.684 58.000 0.086 0.000 0.943 65 F CB 1.343 40.404 39.000 0.102 0.000 1.304 65 F HN 0.693 nan 8.300 nan 0.000 0.445 66 T N -0.183 114.524 114.554 0.256 0.000 2.924 66 T HA 0.955 5.305 4.350 -0.001 0.000 0.291 66 T C -0.879 173.953 174.700 0.219 0.000 1.045 66 T CA -0.412 61.766 62.100 0.129 0.000 1.015 66 T CB 1.676 70.566 68.868 0.037 0.000 1.103 66 T HN 1.685 nan 8.240 nan 0.000 0.496 67 A N 1.691 124.584 122.820 0.122 0.000 2.515 67 A HA 0.791 5.111 4.320 -0.001 0.000 0.298 67 A C -0.628 176.936 177.584 -0.033 0.000 1.059 67 A CA -1.185 50.898 52.037 0.076 0.000 0.698 67 A CB 1.391 20.464 19.000 0.123 0.000 1.289 67 A HN 0.851 nan 8.150 nan 0.000 0.404 68 R N 1.056 121.532 120.500 -0.040 0.000 2.265 68 R HA 0.602 4.942 4.340 -0.001 0.000 0.319 68 R C -1.009 175.218 176.300 -0.122 0.000 1.006 68 R CA -0.197 55.850 56.100 -0.088 0.000 0.880 68 R CB 1.013 31.282 30.300 -0.052 0.000 1.077 68 R HN 0.611 nan 8.270 nan 0.000 0.454 69 L N 2.566 123.666 121.223 -0.205 0.000 2.317 69 L HA 0.545 4.885 4.340 -0.001 0.000 0.281 69 L C -0.167 176.635 176.870 -0.114 0.000 1.024 69 L CA -0.861 53.848 54.840 -0.218 0.000 0.810 69 L CB 1.642 43.445 42.059 -0.428 0.000 1.240 69 L HN 0.456 nan 8.230 nan 0.000 0.427 70 K N 1.912 122.180 120.400 -0.219 0.000 2.345 70 K HA 0.286 4.606 4.320 -0.001 0.000 0.255 70 K C -0.556 175.893 176.600 -0.251 0.000 0.934 70 K CA -0.759 55.394 56.287 -0.223 0.000 0.801 70 K CB 1.598 33.894 32.500 -0.340 0.000 1.137 70 K HN 0.465 nan 8.250 nan 0.000 0.424 71 N N 4.024 122.577 118.700 -0.244 0.000 2.452 71 N HA 0.021 4.761 4.740 -0.001 0.000 0.266 71 N C -0.813 174.560 175.510 -0.229 0.000 1.209 71 N CA -0.186 52.519 53.050 -0.576 0.000 0.929 71 N CB 0.376 38.571 38.487 -0.487 0.000 1.063 71 N HN 0.424 nan 8.380 nan 0.000 0.472 72 L N 6.110 127.236 121.223 -0.163 0.000 2.407 72 L HA 0.319 4.659 4.340 -0.001 0.000 0.282 72 L C -1.759 175.128 176.870 0.029 0.000 1.110 72 L CA -1.541 53.321 54.840 0.037 0.000 0.863 72 L CB -0.103 42.027 42.059 0.119 0.000 1.207 72 L HN 0.537 nan 8.230 nan 0.000 0.454 73 P HA 0.195 nan 4.420 nan 0.000 0.267 73 P C -0.380 176.917 177.300 -0.004 0.000 1.200 73 P CA 0.221 63.319 63.100 -0.002 0.000 0.772 73 P CB 0.892 32.592 31.700 -0.001 0.000 0.855 74 S N 0.161 115.846 115.700 -0.025 0.000 2.611 74 S HA 0.408 4.878 4.470 -0.001 0.000 0.268 74 S C -0.974 173.593 174.600 -0.055 0.000 1.156 74 S CA -0.672 57.488 58.200 -0.067 0.000 0.817 74 S CB 1.158 64.270 63.200 -0.146 0.000 1.122 74 S HN 0.265 nan 8.310 nan 0.000 0.466 75 S N 2.517 118.171 115.700 -0.075 0.000 2.584 75 S HA 0.451 4.920 4.470 -0.001 0.000 0.273 75 S C -2.437 172.118 174.600 -0.074 0.000 1.311 75 S CA -0.772 57.388 58.200 -0.067 0.000 1.034 75 S CB 0.172 63.326 63.200 -0.077 0.000 0.939 75 S HN 0.378 nan 8.310 nan 0.000 0.513 76 P HA 0.060 nan 4.420 nan 0.000 0.264 76 P C 0.349 177.553 177.300 -0.160 0.000 1.193 76 P CA -0.076 62.985 63.100 -0.065 0.000 0.763 76 P CB 0.414 32.094 31.700 -0.033 0.000 0.810 77 V N 2.628 122.394 119.914 -0.247 0.000 2.365 77 V HA 0.053 4.172 4.120 -0.001 0.000 0.232 77 V C 0.718 176.373 176.094 -0.732 0.000 1.065 77 V CA 1.070 63.014 62.300 -0.593 0.000 1.054 77 V CB -0.848 30.531 31.823 -0.740 0.000 0.685 77 V HN 0.310 nan 8.190 nan 0.000 0.480 78 F N 1.484 121.340 119.950 -0.157 0.000 2.371 78 F HA 0.736 5.262 4.527 -0.001 0.000 0.343 78 F C 0.764 176.582 175.800 0.030 0.000 1.150 78 F CA -0.053 57.896 58.000 -0.084 0.000 1.220 78 F CB 0.430 39.314 39.000 -0.194 0.000 1.475 78 F HN 0.475 nan 8.300 nan 0.000 0.521 79 G N 1.148 110.027 108.800 0.131 0.000 2.781 79 G HA2 -0.028 3.931 3.960 -0.001 0.000 0.683 79 G HA3 -0.028 3.931 3.960 -0.001 0.000 0.683 79 G C -0.490 174.473 174.900 0.105 0.000 1.390 79 G CA -0.700 44.476 45.100 0.126 0.000 0.850 79 G HN 0.796 nan 8.290 nan 0.000 0.557 80 S N -0.152 115.608 115.700 0.101 0.000 2.508 80 S HA 0.579 5.048 4.470 -0.001 0.000 0.284 80 S C 0.287 174.977 174.600 0.151 0.000 1.192 80 S CA -0.469 57.788 58.200 0.095 0.000 1.070 80 S CB 1.402 64.637 63.200 0.059 0.000 1.004 80 S HN 0.868 nan 8.310 nan 0.000 0.493 81 N N 1.205 120.007 118.700 0.170 0.000 2.293 81 N HA 0.069 4.808 4.740 -0.001 0.000 0.253 81 N C -0.256 175.391 175.510 0.229 0.000 1.248 81 N CA -0.114 53.090 53.050 0.257 0.000 0.845 81 N CB 0.282 38.897 38.487 0.213 0.000 1.073 81 N HN 0.504 nan 8.380 nan 0.000 0.464 82 V N 2.828 122.935 119.914 0.321 0.000 2.681 82 V HA -0.155 3.965 4.120 -0.001 0.000 0.306 82 V C 1.014 177.222 176.094 0.191 0.000 1.077 82 V CA 0.617 63.061 62.300 0.240 0.000 1.224 82 V CB 0.521 32.512 31.823 0.279 0.000 0.879 82 V HN 0.744 nan 8.190 nan 0.000 0.494 83 D N 3.198 123.658 120.400 0.100 0.000 2.097 83 D HA -0.062 4.578 4.640 -0.001 0.000 0.195 83 D C 0.571 176.911 176.300 0.066 0.000 0.989 83 D CA 1.589 55.622 54.000 0.055 0.000 0.827 83 D CB 0.010 40.827 40.800 0.028 0.000 0.966 83 D HN 0.648 nan 8.370 nan 0.000 0.456 84 N N -0.523 118.193 118.700 0.027 0.000 2.448 84 N HA 0.338 5.078 4.740 -0.001 0.000 0.279 84 N C -1.337 174.085 175.510 -0.147 0.000 1.025 84 N CA -0.334 52.697 53.050 -0.032 0.000 0.898 84 N CB 2.849 41.309 38.487 -0.045 0.000 1.303 84 N HN -0.266 nan 8.380 nan 0.000 0.495 85 V N 2.519 122.282 119.914 -0.252 0.000 2.483 85 V HA 0.434 4.554 4.120 -0.001 0.000 0.295 85 V C -0.460 175.397 176.094 -0.394 0.000 1.035 85 V CA -0.819 61.171 62.300 -0.516 0.000 0.896 85 V CB 1.545 32.812 31.823 -0.926 0.000 0.986 85 V HN 0.468 nan 8.190 nan 0.000 0.447 86 L N 5.774 126.785 121.223 -0.352 0.000 2.282 86 L HA 0.601 4.941 4.340 -0.001 0.000 0.288 86 L C -0.684 176.031 176.870 -0.258 0.000 1.033 86 L CA -0.259 54.434 54.840 -0.244 0.000 0.807 86 L CB 1.354 43.314 42.059 -0.165 0.000 1.209 86 L HN 0.634 nan 8.230 nan 0.000 0.423 87 L N 5.222 126.311 121.223 -0.224 0.000 2.257 87 L HA 0.536 4.876 4.340 -0.001 0.000 0.290 87 L C -0.477 176.299 176.870 -0.156 0.000 1.044 87 L CA 0.471 55.203 54.840 -0.180 0.000 0.810 87 L CB 0.994 42.968 42.059 -0.142 0.000 1.193 87 L HN 0.710 nan 8.230 nan 0.000 0.425 88 T N 5.286 119.712 114.554 -0.214 0.000 2.758 88 T HA 0.773 5.122 4.350 -0.001 0.000 0.285 88 T C -0.272 174.163 174.700 -0.442 0.000 0.981 88 T CA -0.305 61.632 62.100 -0.272 0.000 0.965 88 T CB 1.176 69.913 68.868 -0.219 0.000 0.927 88 T HN 0.788 nan 8.240 nan 0.000 0.448 89 A N 3.856 126.310 122.820 -0.609 0.000 2.304 89 A HA 0.681 5.001 4.320 -0.001 0.000 0.314 89 A C -0.349 176.865 177.584 -0.618 0.000 1.187 89 A CA -0.876 50.672 52.037 -0.815 0.000 0.810 89 A CB 0.773 18.941 19.000 -1.388 0.000 1.183 89 A HN 0.814 nan 8.150 nan 0.000 0.487 90 E N 1.572 121.441 120.200 -0.551 0.000 2.199 90 E HA 0.349 4.698 4.350 -0.001 0.000 0.265 90 E C -1.771 174.680 176.600 -0.249 0.000 0.882 90 E CA -0.502 55.710 56.400 -0.314 0.000 0.759 90 E CB 1.650 31.197 29.700 -0.255 0.000 1.148 90 E HN 0.628 nan 8.360 nan 0.000 0.412 91 Y N 2.600 122.946 120.300 0.077 0.000 2.714 91 Y HA 0.056 4.606 4.550 -0.001 0.000 0.333 91 Y C 1.385 177.282 175.900 -0.005 0.000 1.220 91 Y CA -0.025 58.215 58.100 0.233 0.000 1.513 91 Y CB 0.099 38.702 38.460 0.237 0.000 1.435 91 Y HN 0.561 nan 8.280 nan 0.000 0.489 92 Q N 0.800 120.540 119.800 -0.101 0.000 2.079 92 Q HA -0.062 4.277 4.340 -0.001 0.000 0.200 92 Q C 0.891 176.917 176.000 0.043 0.000 0.974 92 Q CA 1.553 57.092 55.803 -0.439 0.000 0.840 92 Q CB 0.235 28.688 28.738 -0.475 0.000 0.898 92 Q HN 0.660 nan 8.270 nan 0.000 0.430 93 T N -4.966 109.697 114.554 0.182 0.000 2.812 93 T HA 0.280 4.630 4.350 -0.001 0.000 0.294 93 T C 0.625 175.493 174.700 0.280 0.000 1.159 93 T CA -0.464 61.766 62.100 0.217 0.000 1.008 93 T CB 1.476 70.458 68.868 0.191 0.000 1.289 93 T HN -0.106 nan 8.240 nan 0.000 0.514 94 S N 0.748 116.567 115.700 0.199 0.000 2.419 94 S HA -0.073 4.397 4.470 -0.001 0.000 0.235 94 S C 1.331 176.124 174.600 0.321 0.000 1.019 94 S CA 1.133 59.430 58.200 0.161 0.000 0.982 94 S CB -0.444 62.811 63.200 0.092 0.000 0.789 94 S HN 0.741 nan 8.310 nan 0.000 0.490 95 N N 0.072 118.989 118.700 0.362 0.000 2.159 95 N HA 0.142 4.881 4.740 -0.001 0.000 0.217 95 N C 0.078 175.794 175.510 0.345 0.000 1.223 95 N CA 0.007 53.281 53.050 0.372 0.000 0.896 95 N CB 0.906 39.546 38.487 0.254 0.000 1.064 95 N HN 0.238 nan 8.380 nan 0.000 0.518 96 R N 0.835 121.538 120.500 0.339 0.000 2.483 96 R HA 0.248 4.588 4.340 -0.001 0.000 0.303 96 R C -1.827 174.532 176.300 0.099 0.000 0.987 96 R CA -0.481 55.722 56.100 0.173 0.000 0.881 96 R CB 0.900 31.349 30.300 0.248 0.000 1.177 96 R HN -0.193 nan 8.270 nan 0.000 0.451 97 F N 3.828 123.553 119.950 -0.375 0.000 2.436 97 F HA 0.386 4.913 4.527 -0.001 0.000 0.340 97 F C -0.938 174.703 175.800 -0.265 0.000 1.113 97 F CA -0.815 56.950 58.000 -0.392 0.000 1.022 97 F CB 1.092 39.650 39.000 -0.737 0.000 1.128 97 F HN 0.618 nan 8.300 nan 0.000 0.466 98 H N 6.722 125.187 119.070 -1.008 0.000 2.505 98 H HA 0.508 5.064 4.556 -0.001 0.000 0.338 98 H C -1.632 172.921 175.328 -1.293 0.000 1.057 98 H CA -1.038 54.335 56.048 -1.125 0.000 1.202 98 H CB 0.878 30.146 29.762 -0.824 0.000 1.466 98 H HN 0.486 nan 8.280 nan 0.000 0.499 99 F N 3.108 122.149 119.950 -1.515 0.000 2.565 99 F HA 0.602 5.129 4.527 -0.001 0.000 0.313 99 F C -1.460 173.792 175.800 -0.914 0.000 1.091 99 F CA -1.086 56.203 58.000 -1.185 0.000 0.915 99 F CB 1.497 39.984 39.000 -0.854 0.000 1.208 99 F HN 0.510 nan 8.300 nan 0.000 0.453 100 K N 3.876 123.891 120.400 -0.641 0.000 2.371 100 K HA 0.789 5.108 4.320 -0.001 0.000 0.251 100 K C -2.043 174.445 176.600 -0.187 0.000 0.934 100 K CA -0.898 55.133 56.287 -0.427 0.000 0.798 100 K CB 2.651 34.904 32.500 -0.412 0.000 1.204 100 K HN 0.872 nan 8.250 nan 0.000 0.427 101 L N 2.619 123.795 121.223 -0.079 0.000 2.298 101 L HA 0.429 4.769 4.340 -0.001 0.000 0.284 101 L C -0.377 176.484 176.870 -0.016 0.000 1.013 101 L CA -0.433 54.367 54.840 -0.066 0.000 0.824 101 L CB 1.931 44.020 42.059 0.050 0.000 1.221 101 L HN 0.944 nan 8.230 nan 0.000 0.418 102 T N -2.423 112.012 114.554 -0.199 0.000 2.930 102 T HA 0.344 4.694 4.350 -0.001 0.000 0.290 102 T C -0.621 173.872 174.700 -0.344 0.000 1.052 102 T CA -0.917 61.115 62.100 -0.112 0.000 1.017 102 T CB 2.141 70.960 68.868 -0.082 0.000 1.137 102 T HN 0.348 nan 8.240 nan 0.000 0.511 103 D N 0.656 120.970 120.400 -0.144 0.000 2.358 103 D HA 0.041 4.680 4.640 -0.001 0.000 0.258 103 D C 1.059 177.290 176.300 -0.114 0.000 1.223 103 D CA -0.009 53.901 54.000 -0.151 0.000 0.886 103 D CB 1.444 42.279 40.800 0.058 0.000 1.120 103 D HN 0.737 nan 8.370 nan 0.000 0.482 104 Q N 2.335 122.047 119.800 -0.146 0.000 2.226 104 Q HA -0.140 4.199 4.340 -0.001 0.000 0.204 104 Q C 0.846 176.815 176.000 -0.052 0.000 0.975 104 Q CA 1.472 57.214 55.803 -0.102 0.000 0.866 104 Q CB 0.375 29.049 28.738 -0.106 0.000 0.915 104 Q HN 0.529 nan 8.270 nan 0.000 0.440 105 T N -0.177 114.357 114.554 -0.033 0.000 3.010 105 T HA 0.077 4.426 4.350 -0.001 0.000 0.252 105 T C 0.012 174.714 174.700 0.004 0.000 1.047 105 T CA 0.574 62.668 62.100 -0.009 0.000 1.140 105 T CB 0.043 68.912 68.868 0.002 0.000 0.885 105 T HN 0.287 nan 8.240 nan 0.000 0.464 106 N N 1.302 120.012 118.700 0.016 0.000 2.319 106 N HA 0.416 5.155 4.740 -0.001 0.000 0.305 106 N C -1.290 174.241 175.510 0.035 0.000 1.103 106 N CA -0.753 52.316 53.050 0.031 0.000 0.815 106 N CB 0.870 39.388 38.487 0.051 0.000 1.288 106 N HN 0.155 nan 8.380 nan 0.000 0.493 107 N N 0.636 119.355 118.700 0.031 0.000 2.518 107 N HA 0.228 4.968 4.740 -0.001 0.000 0.266 107 N C -0.459 175.087 175.510 0.059 0.000 1.196 107 N CA 0.002 53.070 53.050 0.029 0.000 0.947 107 N CB 0.929 39.426 38.487 0.017 0.000 1.098 107 N HN 0.291 nan 8.380 nan 0.000 0.450 108 R N 0.678 121.217 120.500 0.065 0.000 2.912 108 R HA 0.343 4.683 4.340 -0.001 0.000 0.262 108 R C -0.879 175.480 176.300 0.099 0.000 1.057 108 R CA -0.983 55.184 56.100 0.111 0.000 0.981 108 R CB 1.243 31.628 30.300 0.142 0.000 1.201 108 R HN 0.438 nan 8.270 nan 0.000 0.484 109 F N 1.769 121.738 119.950 0.032 0.000 2.578 109 F HA 0.026 4.553 4.527 -0.001 0.000 0.376 109 F C -0.275 175.517 175.800 -0.013 0.000 1.085 109 F CA 0.733 58.743 58.000 0.016 0.000 1.260 109 F CB 0.512 39.537 39.000 0.042 0.000 1.095 109 F HN 0.317 nan 8.300 nan 0.000 0.573 110 E N 4.510 124.072 120.200 -1.064 0.000 2.272 110 E HA 0.316 4.666 4.350 -0.001 0.000 0.269 110 E C -1.147 174.770 176.600 -1.139 0.000 0.877 110 E CA -1.212 54.692 56.400 -0.827 0.000 0.755 110 E CB 2.264 31.726 29.700 -0.398 0.000 1.192 110 E HN 0.386 nan 8.360 nan 0.000 0.422 111 V N 4.371 123.871 119.914 -0.690 0.000 2.509 111 V HA 0.006 4.126 4.120 -0.001 0.000 0.297 111 V C -1.713 174.141 176.094 -0.401 0.000 1.014 111 V CA -0.543 61.499 62.300 -0.430 0.000 1.127 111 V CB -0.322 31.429 31.823 -0.119 0.000 0.925 111 V HN 0.598 nan 8.190 nan 0.000 0.480 112 P HA 0.131 nan 4.420 nan 0.000 0.231 112 P C -0.005 177.019 177.300 -0.460 0.000 1.811 112 P CA -0.179 62.559 63.100 -0.604 0.000 1.051 112 P CB -0.098 30.959 31.700 -1.073 0.000 1.951 113 H N 2.336 121.276 119.070 -0.216 0.000 2.815 113 H HA 0.011 4.567 4.556 -0.001 0.000 0.350 113 H C 1.080 176.475 175.328 0.111 0.000 1.080 113 H CA 0.326 56.383 56.048 0.014 0.000 1.433 113 H CB 1.231 31.035 29.762 0.070 0.000 1.432 113 H HN 0.269 nan 8.280 nan 0.000 0.592 114 E N 3.556 123.745 120.200 -0.019 0.000 2.158 114 E HA -0.176 4.174 4.350 -0.001 0.000 0.191 114 E C 1.070 177.791 176.600 0.201 0.000 0.982 114 E CA 1.042 57.516 56.400 0.122 0.000 0.823 114 E CB 0.131 29.927 29.700 0.159 0.000 0.766 114 E HN 0.778 nan 8.360 nan 0.000 0.468 115 H N -0.720 118.467 119.070 0.196 0.000 2.439 115 H HA 0.204 4.759 4.556 -0.001 0.000 0.299 115 H C 0.251 175.693 175.328 0.190 0.000 1.033 115 H CA 0.533 56.709 56.048 0.213 0.000 1.348 115 H CB 0.349 30.226 29.762 0.191 0.000 1.449 115 H HN -0.168 nan 8.280 nan 0.000 0.544 116 V N 2.992 123.110 119.914 0.340 0.000 2.585 116 V HA 0.028 4.148 4.120 -0.001 0.000 0.296 116 V C 0.146 176.250 176.094 0.017 0.000 1.035 116 V CA 0.374 62.715 62.300 0.068 0.000 1.084 116 V CB 1.033 32.845 31.823 -0.018 0.000 0.953 116 V HN 0.463 nan 8.190 nan 0.000 0.483 117 Q N 2.214 121.993 119.800 -0.034 0.000 2.257 117 Q HA 0.431 4.771 4.340 -0.001 0.000 0.262 117 Q C 0.091 176.104 176.000 0.021 0.000 0.997 117 Q CA -0.527 55.266 55.803 -0.017 0.000 0.873 117 Q CB 2.070 30.782 28.738 -0.043 0.000 1.312 117 Q HN 0.920 nan 8.270 nan 0.000 0.450 118 S N 0.864 116.577 115.700 0.022 0.000 2.568 118 S HA 0.181 4.650 4.470 -0.001 0.000 0.282 118 S C -0.356 174.304 174.600 0.100 0.000 1.338 118 S CA -0.522 57.710 58.200 0.053 0.000 1.045 118 S CB 0.320 63.536 63.200 0.027 0.000 0.873 118 S HN 0.467 nan 8.310 nan 0.000 0.516 119 F N 2.936 122.880 119.950 -0.010 0.000 2.420 119 F HA 0.523 5.050 4.527 -0.001 0.000 0.352 119 F C 0.424 176.232 175.800 0.014 0.000 1.108 119 F CA -0.112 57.893 58.000 0.008 0.000 1.162 119 F CB 0.867 39.883 39.000 0.027 0.000 1.118 119 F HN 0.883 nan 8.300 nan 0.000 0.510 120 S N 3.885 119.191 115.700 -0.657 0.000 2.634 120 S HA 0.987 5.457 4.470 -0.001 0.000 0.296 120 S C -0.208 173.841 174.600 -0.917 0.000 1.104 120 S CA -0.330 57.538 58.200 -0.552 0.000 0.920 120 S CB 1.317 64.357 63.200 -0.266 0.000 1.111 120 S HN 1.746 nan 8.310 nan 0.000 0.493 121 G N 1.086 109.592 108.800 -0.491 0.000 2.631 121 G HA2 -0.005 3.955 3.960 -0.001 0.000 0.504 121 G HA3 -0.005 3.955 3.960 -0.001 0.000 0.504 121 G C -1.600 173.229 174.900 -0.117 0.000 1.306 121 G CA -0.876 44.017 45.100 -0.345 0.000 0.897 121 G HN 0.884 nan 8.290 nan 0.000 0.520 122 N N 0.168 118.914 118.700 0.077 0.000 2.443 122 N HA 0.681 5.421 4.740 -0.001 0.000 0.293 122 N C 0.690 176.405 175.510 0.341 0.000 1.159 122 N CA 0.249 53.418 53.050 0.199 0.000 0.904 122 N CB 1.521 40.077 38.487 0.115 0.000 1.214 122 N HN 1.463 nan 8.380 nan 0.000 0.513 123 A N 0.517 123.527 122.820 0.317 0.000 2.584 123 A HA 0.333 4.653 4.320 -0.001 0.000 0.239 123 A C 0.695 178.398 177.584 0.199 0.000 1.043 123 A CA -0.028 52.193 52.037 0.305 0.000 0.756 123 A CB -0.534 18.600 19.000 0.223 0.000 0.963 123 A HN 0.752 nan 8.150 nan 0.000 0.511 124 A N 2.214 125.158 122.820 0.206 0.000 2.466 124 A HA 0.537 4.857 4.320 -0.001 0.000 0.238 124 A C 0.922 178.523 177.584 0.027 0.000 1.074 124 A CA 0.312 52.429 52.037 0.132 0.000 0.774 124 A CB -0.137 18.954 19.000 0.151 0.000 1.015 124 A HN 2.248 nan 8.150 nan 0.000 0.498 125 A N 0.622 123.454 122.820 0.019 0.000 2.271 125 A HA 0.592 4.912 4.320 -0.001 0.000 0.288 125 A C 0.916 178.476 177.584 -0.041 0.000 1.094 125 A CA 0.290 52.313 52.037 -0.024 0.000 0.828 125 A CB -0.176 18.822 19.000 -0.004 0.000 1.091 125 A HN 2.074 nan 8.150 nan 0.000 0.493 126 S N -1.010 114.649 115.700 -0.068 0.000 3.631 126 S HA -0.127 4.343 4.470 -0.001 0.000 0.366 126 S C 0.091 174.631 174.600 -0.100 0.000 0.993 126 S CA 0.717 58.876 58.200 -0.068 0.000 1.167 126 S CB -2.045 61.139 63.200 -0.027 0.000 0.909 126 S HN 0.607 nan 8.310 nan 0.000 0.478 127 L N 1.046 122.150 121.223 -0.200 0.000 2.485 127 L HA 0.115 4.455 4.340 -0.001 0.000 0.275 127 L C 1.870 178.582 176.870 -0.264 0.000 1.207 127 L CA 0.548 55.174 54.840 -0.356 0.000 0.855 127 L CB 0.111 41.766 42.059 -0.674 0.000 1.114 127 L HN 0.536 nan 8.230 nan 0.000 0.485 128 T N -1.857 112.597 114.554 -0.167 0.000 3.107 128 T HA 0.112 4.462 4.350 -0.001 0.000 0.249 128 T C -0.024 174.697 174.700 0.034 0.000 1.096 128 T CA -0.036 62.058 62.100 -0.010 0.000 1.012 128 T CB -0.310 68.626 68.868 0.113 0.000 0.977 128 T HN 0.509 nan 8.240 nan 0.000 0.527 129 Y N -0.663 119.639 120.300 0.004 0.000 2.576 129 Y HA 0.780 5.329 4.550 -0.001 0.000 0.346 129 Y C -0.582 175.286 175.900 -0.054 0.000 1.018 129 Y CA -1.846 56.237 58.100 -0.029 0.000 1.050 129 Y CB 1.383 39.827 38.460 -0.028 0.000 1.280 129 Y HN 0.046 nan 8.280 nan 0.000 0.474 130 Q N 1.327 121.169 119.800 0.069 0.000 2.377 130 Q HA 0.767 5.106 4.340 -0.001 0.000 0.271 130 Q C -2.095 173.917 176.000 0.019 0.000 1.077 130 Q CA -1.113 54.694 55.803 0.006 0.000 0.820 130 Q CB 2.652 31.363 28.738 -0.045 0.000 1.347 130 Q HN 0.780 nan 8.270 nan 0.000 0.444 131 V N 2.857 122.776 119.914 0.008 0.000 2.448 131 V HA 0.433 4.553 4.120 -0.001 0.000 0.295 131 V C -1.084 174.968 176.094 -0.069 0.000 1.025 131 V CA -0.658 61.578 62.300 -0.106 0.000 0.859 131 V CB 1.716 33.391 31.823 -0.246 0.000 0.988 131 V HN 0.801 nan 8.190 nan 0.000 0.431 132 E N 4.554 124.692 120.200 -0.104 0.000 2.210 132 E HA 0.617 4.967 4.350 -0.001 0.000 0.266 132 E C -1.144 175.378 176.600 -0.130 0.000 0.883 132 E CA -0.431 55.902 56.400 -0.113 0.000 0.761 132 E CB 2.080 31.720 29.700 -0.100 0.000 1.156 132 E HN 0.401 nan 8.360 nan 0.000 0.412 133 I N 2.175 122.662 120.570 -0.138 0.000 2.406 133 I HA 0.352 4.522 4.170 -0.001 0.000 0.290 133 I C -0.236 175.817 176.117 -0.108 0.000 0.999 133 I CA -0.612 60.614 61.300 -0.122 0.000 1.124 133 I CB 1.532 39.490 38.000 -0.069 0.000 1.289 133 I HN 0.380 nan 8.210 nan 0.000 0.441 134 S N 5.641 121.257 115.700 -0.140 0.000 2.578 134 S HA 0.484 4.954 4.470 -0.001 0.000 0.283 134 S C 0.919 175.516 174.600 -0.006 0.000 1.195 134 S CA -0.587 57.562 58.200 -0.084 0.000 1.050 134 S CB 2.441 65.576 63.200 -0.108 0.000 1.012 134 S HN 0.470 nan 8.310 nan 0.000 0.511 135 R N 0.937 121.460 120.500 0.038 0.000 2.074 135 R HA 0.204 4.544 4.340 -0.001 0.000 0.218 135 R C -0.024 176.366 176.300 0.150 0.000 1.137 135 R CA 1.159 57.323 56.100 0.107 0.000 0.998 135 R CB 0.054 30.394 30.300 0.066 0.000 0.895 135 R HN 0.590 nan 8.270 nan 0.000 0.442 136 Q N 1.190 121.045 119.800 0.091 0.000 2.695 136 Q HA 0.365 4.704 4.340 -0.001 0.000 0.246 136 Q C -2.322 173.714 176.000 0.060 0.000 0.961 136 Q CA -1.608 54.250 55.803 0.091 0.000 0.708 136 Q CB 2.043 30.808 28.738 0.045 0.000 1.282 136 Q HN 0.183 nan 8.270 nan 0.000 0.482 137 P HA 0.331 nan 4.420 nan 0.000 0.281 137 P C -0.375 177.008 177.300 0.138 0.000 1.281 137 P CA -0.713 62.467 63.100 0.133 0.000 0.811 137 P CB 0.838 32.602 31.700 0.106 0.000 1.154 138 F N 1.497 121.497 119.950 0.084 0.000 2.608 138 F HA 0.254 4.781 4.527 -0.001 0.000 0.380 138 F C 0.169 175.985 175.800 0.027 0.000 1.083 138 F CA 0.786 58.818 58.000 0.053 0.000 1.266 138 F CB 0.251 39.285 39.000 0.056 0.000 1.076 138 F HN 0.434 nan 8.300 nan 0.000 0.574 139 S N 7.001 122.087 115.700 -1.024 0.000 2.556 139 S HA 0.662 5.131 4.470 -0.001 0.000 0.271 139 S C -1.258 172.758 174.600 -0.974 0.000 1.135 139 S CA -1.017 56.581 58.200 -1.002 0.000 0.858 139 S CB 1.664 64.625 63.200 -0.400 0.000 1.114 139 S HN 0.920 nan 8.310 nan 0.000 0.468 140 I N 1.201 121.372 120.570 -0.666 0.000 2.498 140 I HA 0.656 4.826 4.170 -0.001 0.000 0.290 140 I C -1.097 174.913 176.117 -0.179 0.000 1.032 140 I CA -0.533 60.528 61.300 -0.399 0.000 1.073 140 I CB 1.618 39.341 38.000 -0.463 0.000 1.251 140 I HN 0.873 nan 8.210 nan 0.000 0.426 141 K N 6.654 126.964 120.400 -0.150 0.000 2.443 141 K HA 0.650 4.969 4.320 -0.001 0.000 0.252 141 K C -2.034 174.506 176.600 -0.101 0.000 0.933 141 K CA -0.641 55.601 56.287 -0.074 0.000 0.792 141 K CB 2.217 34.660 32.500 -0.096 0.000 1.185 141 K HN 0.456 nan 8.250 nan 0.000 0.425 142 V N 3.398 123.277 119.914 -0.058 0.000 2.444 142 V HA 0.360 4.480 4.120 -0.001 0.000 0.294 142 V C -0.166 175.871 176.094 -0.096 0.000 1.022 142 V CA -0.651 61.581 62.300 -0.114 0.000 0.850 142 V CB 1.415 33.157 31.823 -0.135 0.000 0.992 142 V HN 0.971 nan 8.190 nan 0.000 0.426 143 T N 2.157 116.673 114.554 -0.063 0.000 2.908 143 T HA 0.602 4.952 4.350 -0.001 0.000 0.290 143 T C -0.338 174.354 174.700 -0.013 0.000 1.034 143 T CA -0.889 61.173 62.100 -0.063 0.000 1.010 143 T CB 1.818 70.651 68.868 -0.058 0.000 1.068 143 T HN 0.605 nan 8.240 nan 0.000 0.481 144 R N 1.610 122.094 120.500 -0.026 0.000 2.316 144 R HA 0.303 4.643 4.340 -0.001 0.000 0.314 144 R C 1.551 177.855 176.300 0.008 0.000 1.069 144 R CA -0.457 55.653 56.100 0.016 0.000 0.959 144 R CB 0.388 30.692 30.300 0.007 0.000 0.987 144 R HN 0.806 nan 8.270 nan 0.000 0.446 145 R N 1.277 121.783 120.500 0.011 0.000 2.091 145 R HA -0.162 4.178 4.340 -0.001 0.000 0.238 145 R C 2.032 178.326 176.300 -0.010 0.000 1.136 145 R CA 2.369 58.460 56.100 -0.016 0.000 0.959 145 R CB 0.006 30.282 30.300 -0.040 0.000 0.856 145 R HN 0.802 nan 8.270 nan 0.000 0.437 146 S N 0.851 116.553 115.700 0.002 0.000 2.387 146 S HA -0.101 4.368 4.470 -0.001 0.000 0.226 146 S C 1.237 175.841 174.600 0.007 0.000 1.026 146 S CA 1.241 59.444 58.200 0.006 0.000 0.972 146 S CB -0.166 63.044 63.200 0.017 0.000 0.814 146 S HN 0.478 nan 8.310 nan 0.000 0.477 147 N N 0.581 119.286 118.700 0.008 0.000 2.177 147 N HA 0.148 4.888 4.740 -0.001 0.000 0.218 147 N C -0.275 175.233 175.510 -0.003 0.000 1.182 147 N CA 0.092 53.146 53.050 0.007 0.000 0.882 147 N CB -1.326 37.172 38.487 0.017 0.000 1.052 147 N HN 0.573 nan 8.380 nan 0.000 0.519 148 N N -0.221 118.473 118.700 -0.011 0.000 2.693 148 N HA -0.277 4.463 4.740 -0.001 0.000 0.249 148 N C -0.727 174.766 175.510 -0.029 0.000 1.119 148 N CA 0.302 53.339 53.050 -0.022 0.000 0.717 148 N CB -0.741 37.733 38.487 -0.022 0.000 1.071 148 N HN 0.323 nan 8.380 nan 0.000 0.555 149 R N 1.160 121.643 120.500 -0.028 0.000 2.421 149 R HA 0.198 4.537 4.340 -0.001 0.000 0.305 149 R C -0.512 175.741 176.300 -0.079 0.000 1.039 149 R CA -0.020 56.056 56.100 -0.041 0.000 1.003 149 R CB 0.582 30.865 30.300 -0.029 0.000 0.959 149 R HN 0.030 nan 8.270 nan 0.000 0.427 150 V N 8.142 128.005 119.914 -0.084 0.000 2.446 150 V HA 0.014 4.134 4.120 -0.001 0.000 0.276 150 V C 1.283 177.265 176.094 -0.187 0.000 1.030 150 V CA 0.143 62.374 62.300 -0.114 0.000 1.033 150 V CB 0.515 32.285 31.823 -0.089 0.000 0.993 150 V HN 0.786 nan 8.190 nan 0.000 0.477 151 L N 4.157 125.200 121.223 -0.300 0.000 2.276 151 L HA 0.339 4.679 4.340 -0.001 0.000 0.194 151 L C 0.656 177.248 176.870 -0.462 0.000 1.099 151 L CA 0.712 55.139 54.840 -0.688 0.000 0.800 151 L CB 0.001 41.432 42.059 -1.047 0.000 0.994 151 L HN 0.466 nan 8.230 nan 0.000 0.475 152 F N 1.048 120.787 119.950 -0.351 0.000 2.420 152 F HA 0.363 4.890 4.527 -0.001 0.000 0.342 152 F C -0.678 175.040 175.800 -0.136 0.000 1.113 152 F CA -0.626 57.301 58.000 -0.121 0.000 1.059 152 F CB 1.132 40.100 39.000 -0.054 0.000 1.128 152 F HN -0.078 nan 8.300 nan 0.000 0.475 153 D N 2.863 123.138 120.400 -0.210 0.000 2.365 153 D HA 0.094 4.734 4.640 -0.001 0.000 0.235 153 D C 0.168 176.350 176.300 -0.197 0.000 1.368 153 D CA -0.141 53.787 54.000 -0.120 0.000 1.001 153 D CB 1.305 42.031 40.800 -0.122 0.000 1.364 153 D HN 0.433 nan 8.370 nan 0.000 0.577 154 S N 1.486 117.123 115.700 -0.105 0.000 2.555 154 S HA -0.113 4.357 4.470 -0.001 0.000 0.230 154 S C 1.699 176.235 174.600 -0.106 0.000 0.978 154 S CA 0.863 59.003 58.200 -0.100 0.000 0.934 154 S CB -0.289 62.930 63.200 0.033 0.000 0.766 154 S HN 0.351 nan 8.310 nan 0.000 0.533 155 S N 1.253 116.879 115.700 -0.122 0.000 2.507 155 S HA 0.057 4.527 4.470 -0.001 0.000 0.235 155 S C 1.538 176.107 174.600 -0.052 0.000 0.988 155 S CA 0.520 58.662 58.200 -0.097 0.000 0.944 155 S CB -0.849 62.292 63.200 -0.098 0.000 0.762 155 S HN 0.653 nan 8.310 nan 0.000 0.526 156 I N 1.145 121.681 120.570 -0.057 0.000 2.614 156 I HA 0.147 4.317 4.170 -0.001 0.000 0.258 156 I C 1.061 177.193 176.117 0.025 0.000 1.189 156 I CA 0.841 62.125 61.300 -0.026 0.000 1.462 156 I CB -0.343 37.624 38.000 -0.055 0.000 1.092 156 I HN 0.519 nan 8.210 nan 0.000 0.442 157 G N -0.104 108.707 108.800 0.020 0.000 2.727 157 G HA2 0.506 4.466 3.960 -0.001 0.000 0.289 157 G HA3 0.506 4.466 3.960 -0.001 0.000 0.289 157 G C -2.960 171.949 174.900 0.015 0.000 1.418 157 G CA -0.780 44.352 45.100 0.053 0.000 0.818 157 G HN -0.128 nan 8.290 nan 0.000 0.486 158 P HA 0.420 nan 4.420 nan 0.000 0.276 158 P C -0.807 176.518 177.300 0.041 0.000 1.261 158 P CA -0.587 62.467 63.100 -0.076 0.000 0.800 158 P CB 1.525 33.040 31.700 -0.308 0.000 1.066 159 L N 1.482 122.806 121.223 0.169 0.000 2.276 159 L HA 0.398 4.737 4.340 -0.001 0.000 0.286 159 L C -0.996 176.039 176.870 0.275 0.000 1.061 159 L CA -0.141 54.844 54.840 0.241 0.000 0.807 159 L CB -0.274 41.948 42.059 0.272 0.000 1.177 159 L HN 0.178 nan 8.230 nan 0.000 0.429 160 L N 5.966 127.338 121.223 0.248 0.000 2.346 160 L HA 0.514 4.854 4.340 -0.001 0.000 0.276 160 L C -1.024 176.063 176.870 0.362 0.000 1.006 160 L CA -0.370 54.677 54.840 0.344 0.000 0.817 160 L CB 1.754 44.008 42.059 0.325 0.000 1.272 160 L HN 0.647 nan 8.230 nan 0.000 0.421 161 F N 2.692 122.821 119.950 0.298 0.000 2.946 161 F HA 0.593 5.120 4.527 -0.001 0.000 0.375 161 F C 0.007 175.953 175.800 0.243 0.000 1.320 161 F CA -0.352 57.766 58.000 0.196 0.000 1.181 161 F CB 0.738 39.773 39.000 0.058 0.000 2.051 161 F HN 0.509 nan 8.300 nan 0.000 0.622 162 A N 1.394 124.405 122.820 0.318 0.000 2.269 162 A HA 0.343 4.662 4.320 -0.001 0.000 0.327 162 A C 0.899 178.600 177.584 0.195 0.000 1.112 162 A CA -0.216 51.996 52.037 0.292 0.000 0.865 162 A CB 0.694 19.877 19.000 0.306 0.000 1.227 162 A HN 0.577 nan 8.150 nan 0.000 0.498 163 D N -0.717 119.797 120.400 0.190 0.000 2.190 163 D HA -0.143 4.496 4.640 -0.001 0.000 0.200 163 D C 1.026 177.410 176.300 0.141 0.000 0.992 163 D CA 1.964 56.052 54.000 0.147 0.000 0.854 163 D CB 0.197 41.073 40.800 0.128 0.000 0.936 163 D HN 0.564 nan 8.370 nan 0.000 0.462 164 Q N -1.523 118.395 119.800 0.197 0.000 2.089 164 Q HA 0.214 4.553 4.340 -0.001 0.000 0.248 164 Q C -1.069 175.127 176.000 0.326 0.000 0.828 164 Q CA -0.319 55.633 55.803 0.248 0.000 1.102 164 Q CB 1.170 30.058 28.738 0.250 0.000 1.221 164 Q HN 0.174 nan 8.270 nan 0.000 0.455 165 F N 1.076 121.075 119.950 0.081 0.000 3.055 165 F HA 0.353 4.879 4.527 -0.000 0.000 0.358 165 F C -2.308 173.492 175.800 0.000 0.000 1.262 165 F CA -0.730 57.300 58.000 0.050 0.000 1.172 165 F CB 0.983 40.065 39.000 0.138 0.000 1.503 165 F HN -0.148 nan 8.300 nan 0.000 0.621 166 L N 5.289 126.262 121.223 -0.418 0.000 2.385 166 L HA 0.679 5.018 4.340 -0.001 0.000 0.273 166 L C -0.818 175.835 176.870 -0.362 0.000 0.990 166 L CA -0.407 54.232 54.840 -0.335 0.000 0.821 166 L CB 2.193 43.986 42.059 -0.443 0.000 1.279 166 L HN 0.627 nan 8.230 nan 0.000 0.412 167 Q N 2.620 122.334 119.800 -0.142 0.000 2.340 167 Q HA 0.796 5.135 4.340 -0.001 0.000 0.276 167 Q C -2.145 173.924 176.000 0.115 0.000 1.048 167 Q CA -0.737 55.031 55.803 -0.060 0.000 0.832 167 Q CB 2.892 31.575 28.738 -0.092 0.000 1.373 167 Q HN 0.576 nan 8.270 nan 0.000 0.409 168 L N 1.512 122.858 121.223 0.206 0.000 2.482 168 L HA 0.610 4.950 4.340 -0.001 0.000 0.263 168 L C -1.499 175.497 176.870 0.210 0.000 0.957 168 L CA 0.005 54.994 54.840 0.249 0.000 0.836 168 L CB 2.661 44.948 42.059 0.380 0.000 1.324 168 L HN 0.690 nan 8.230 nan 0.000 0.406 169 S N 1.227 116.982 115.700 0.093 0.000 2.681 169 S HA 0.867 5.337 4.470 -0.001 0.000 0.299 169 S C -0.699 173.787 174.600 -0.190 0.000 1.113 169 S CA -0.595 57.597 58.200 -0.014 0.000 1.013 169 S CB 1.865 65.052 63.200 -0.022 0.000 1.076 169 S HN 0.714 nan 8.310 nan 0.000 0.534 170 T N 0.669 115.032 114.554 -0.320 0.000 2.993 170 T HA 0.427 4.777 4.350 -0.001 0.000 0.312 170 T C -0.771 173.733 174.700 -0.327 0.000 1.115 170 T CA -0.758 61.018 62.100 -0.540 0.000 1.027 170 T CB 0.745 68.861 68.868 -1.253 0.000 1.116 170 T HN 0.539 nan 8.240 nan 0.000 0.464 171 R N 2.350 122.694 120.500 -0.260 0.000 2.774 171 R HA 0.588 4.928 4.340 -0.001 0.000 0.269 171 R C -0.369 175.845 176.300 -0.143 0.000 1.068 171 R CA -0.367 55.626 56.100 -0.179 0.000 1.180 171 R CB 0.429 30.646 30.300 -0.137 0.000 1.077 171 R HN 0.507 nan 8.270 nan 0.000 0.513 172 L N 1.876 123.042 121.223 -0.096 0.000 2.370 172 L HA 0.355 4.695 4.340 -0.001 0.000 0.266 172 L C -1.558 175.309 176.870 -0.004 0.000 1.002 172 L CA -1.925 52.916 54.840 0.002 0.000 0.818 172 L CB 2.590 44.616 42.059 -0.056 0.000 1.325 172 L HN 0.513 nan 8.230 nan 0.000 0.418 173 P HA 0.005 nan 4.420 nan 0.000 0.240 173 P C 0.038 177.346 177.300 0.014 0.000 1.190 173 P CA 0.488 63.602 63.100 0.024 0.000 0.781 173 P CB 0.571 32.296 31.700 0.043 0.000 0.931 174 S N -1.807 113.893 115.700 0.000 0.000 2.688 174 S HA 0.376 4.846 4.470 -0.001 0.000 0.275 174 S C 0.391 174.930 174.600 -0.101 0.000 1.175 174 S CA -0.057 58.116 58.200 -0.045 0.000 0.818 174 S CB 0.766 63.922 63.200 -0.074 0.000 1.157 174 S HN -0.028 nan 8.310 nan 0.000 0.482 175 T N -1.295 113.193 114.554 -0.109 0.000 3.145 175 T HA 0.289 4.638 4.350 -0.001 0.000 0.255 175 T C -0.253 174.308 174.700 -0.231 0.000 1.039 175 T CA -0.467 61.538 62.100 -0.160 0.000 0.928 175 T CB -0.907 67.899 68.868 -0.104 0.000 1.029 175 T HN 0.503 nan 8.240 nan 0.000 0.554 176 N N 2.293 120.832 118.700 -0.269 0.000 2.807 176 N HA 0.321 5.061 4.740 -0.001 0.000 0.259 176 N C -1.060 174.049 175.510 -0.668 0.000 1.149 176 N CA -0.055 52.743 53.050 -0.418 0.000 1.042 176 N CB 1.177 39.471 38.487 -0.322 0.000 1.367 176 N HN 0.242 nan 8.380 nan 0.000 0.516 177 V N 2.630 121.979 119.914 -0.942 0.000 2.540 177 V HA 0.472 4.592 4.120 -0.001 0.000 0.302 177 V C -1.012 174.515 176.094 -0.945 0.000 1.035 177 V CA -0.692 61.154 62.300 -0.757 0.000 0.873 177 V CB 1.007 32.473 31.823 -0.596 0.000 0.992 177 V HN 0.347 nan 8.190 nan 0.000 0.428 178 Y N 2.212 122.403 120.300 -0.181 0.000 2.470 178 Y HA 0.872 5.422 4.550 -0.001 0.000 0.341 178 Y C 0.582 176.409 175.900 -0.122 0.000 1.021 178 Y CA 0.096 58.030 58.100 -0.276 0.000 1.025 178 Y CB 2.390 40.563 38.460 -0.478 0.000 1.266 178 Y HN 0.997 nan 8.280 nan 0.000 0.448 179 G N 1.049 109.932 108.800 0.139 0.000 2.265 179 G HA2 0.235 4.195 3.960 -0.001 0.000 0.246 179 G HA3 0.235 4.195 3.960 -0.001 0.000 0.246 179 G C -1.486 173.642 174.900 0.381 0.000 1.299 179 G CA -0.613 44.649 45.100 0.269 0.000 1.117 179 G HN 1.047 nan 8.290 nan 0.000 0.485 180 L N -1.722 119.773 121.223 0.453 0.000 0.588 180 L HA 0.237 4.577 4.340 -0.001 0.000 0.356 180 L C 0.639 177.733 176.870 0.374 0.000 1.005 180 L CA 0.713 55.735 54.840 0.303 0.000 1.223 180 L CB -1.049 41.077 42.059 0.112 0.000 0.021 180 L HN 2.633 nan 8.230 nan 0.000 0.093 181 G N 1.032 109.813 108.800 -0.032 0.000 2.451 181 G HA2 0.483 4.442 3.960 -0.001 0.000 0.292 181 G HA3 0.483 4.442 3.960 -0.001 0.000 0.292 181 G C -2.003 172.569 174.900 -0.547 0.000 1.427 181 G CA -0.312 44.560 45.100 -0.381 0.000 0.792 181 G HN 0.806 nan 8.290 nan 0.000 0.498 182 E N 0.167 120.066 120.200 -0.503 0.000 2.174 182 E HA 0.585 4.935 4.350 -0.001 0.000 0.282 182 E C -0.683 175.594 176.600 -0.539 0.000 0.992 182 E CA -0.681 55.528 56.400 -0.318 0.000 0.803 182 E CB 0.506 30.265 29.700 0.099 0.000 1.090 182 E HN 0.546 nan 8.360 nan 0.000 0.396 183 H N 1.622 120.609 119.070 -0.138 0.000 2.977 183 H HA 0.289 4.845 4.556 -0.001 0.000 0.350 183 H C -0.986 174.121 175.328 -0.369 0.000 1.238 183 H CA -0.848 55.038 56.048 -0.271 0.000 1.124 183 H CB 1.388 30.865 29.762 -0.475 0.000 1.866 183 H HN 0.211 nan 8.280 nan 0.000 0.550 184 V N 2.110 121.954 119.914 -0.117 0.000 2.320 184 V HA 0.063 4.183 4.120 -0.001 0.000 0.265 184 V C 0.688 176.632 176.094 -0.250 0.000 1.048 184 V CA 0.020 62.191 62.300 -0.214 0.000 0.865 184 V CB -0.178 31.496 31.823 -0.248 0.000 1.043 184 V HN 0.747 nan 8.190 nan 0.000 0.474 185 H N 2.646 121.588 119.070 -0.215 0.000 2.512 185 H HA 0.010 4.565 4.556 -0.001 0.000 0.279 185 H C 1.466 176.675 175.328 -0.199 0.000 0.999 185 H CA 0.695 56.563 56.048 -0.300 0.000 1.283 185 H CB 0.319 29.783 29.762 -0.497 0.000 1.421 185 H HN 0.766 nan 8.280 nan 0.000 0.554 186 Q N -1.526 118.179 119.800 -0.159 0.000 3.582 186 Q HA -0.249 4.091 4.340 -0.001 0.000 0.212 186 Q C -0.089 175.867 176.000 -0.074 0.000 2.682 186 Q CA 1.498 57.209 55.803 -0.153 0.000 0.372 186 Q CB -0.859 27.779 28.738 -0.167 0.000 0.312 186 Q HN 0.367 nan 8.270 nan 0.000 0.562 187 Q N -0.938 118.757 119.800 -0.176 0.000 2.248 187 Q HA 0.414 4.754 4.340 -0.001 0.000 0.263 187 Q C 0.028 175.908 176.000 -0.200 0.000 1.007 187 Q CA -0.216 55.338 55.803 -0.414 0.000 0.877 187 Q CB 0.702 29.303 28.738 -0.227 0.000 1.315 187 Q HN 0.259 nan 8.270 nan 0.000 0.454 188 Y N 0.758 120.920 120.300 -0.230 0.000 2.262 188 Y HA 0.185 4.735 4.550 -0.001 0.000 0.295 188 Y C 0.362 176.284 175.900 0.036 0.000 1.121 188 Y CA 0.837 58.942 58.100 0.009 0.000 1.144 188 Y CB 0.525 39.098 38.460 0.188 0.000 1.043 188 Y HN 0.442 nan 8.280 nan 0.000 0.528 189 R N 1.419 121.927 120.500 0.014 0.000 2.347 189 R HA 0.053 4.393 4.340 -0.001 0.000 0.304 189 R C -1.139 174.964 176.300 -0.328 0.000 1.072 189 R CA -0.242 55.721 56.100 -0.228 0.000 0.980 189 R CB -0.033 30.270 30.300 0.004 0.000 0.986 189 R HN 0.313 nan 8.270 nan 0.000 0.448 190 H N 3.292 122.113 119.070 -0.416 0.000 3.026 190 H HA -0.063 4.493 4.556 -0.001 0.000 0.289 190 H C 0.733 175.921 175.328 -0.234 0.000 1.022 190 H CA 0.273 56.132 56.048 -0.314 0.000 1.477 190 H CB 0.828 30.350 29.762 -0.400 0.000 1.510 190 H HN 0.677 nan 8.280 nan 0.000 0.535 191 D N 3.777 124.145 120.400 -0.053 0.000 2.203 191 D HA -0.273 4.367 4.640 -0.001 0.000 0.199 191 D C 0.734 176.980 176.300 -0.089 0.000 0.997 191 D CA 0.974 54.945 54.000 -0.048 0.000 0.863 191 D CB 0.014 40.805 40.800 -0.016 0.000 0.928 191 D HN 0.535 nan 8.370 nan 0.000 0.458 192 M N -0.924 118.609 119.600 -0.112 0.000 3.000 192 M HA -0.198 4.282 4.480 -0.001 0.000 0.210 192 M C 0.199 176.342 176.300 -0.263 0.000 0.585 192 M CA 0.093 55.271 55.300 -0.203 0.000 0.798 192 M CB -2.951 29.510 32.600 -0.231 0.000 2.852 192 M HN 0.330 nan 8.290 nan 0.000 0.310 193 N N -1.037 117.559 118.700 -0.173 0.000 2.257 193 N HA -0.019 4.721 4.740 -0.001 0.000 0.239 193 N C -0.514 174.817 175.510 -0.298 0.000 1.299 193 N CA 0.325 53.267 53.050 -0.180 0.000 0.848 193 N CB 0.312 38.794 38.487 -0.009 0.000 0.992 193 N HN 0.316 nan 8.380 nan 0.000 0.437 194 W N 0.819 122.071 121.300 -0.080 0.000 2.357 194 W HA 0.367 5.026 4.660 -0.000 0.000 0.317 194 W C -0.177 176.260 176.519 -0.137 0.000 1.101 194 W CA -0.289 56.996 57.345 -0.100 0.000 1.380 194 W CB 0.499 29.904 29.460 -0.092 0.000 1.266 194 W HN 0.140 nan 8.180 nan 0.000 0.419 195 K N 1.961 122.353 120.400 -0.013 0.000 2.535 195 K HA 0.499 4.819 4.320 -0.001 0.000 0.251 195 K C -0.974 175.460 176.600 -0.277 0.000 0.942 195 K CA -0.680 55.489 56.287 -0.197 0.000 0.798 195 K CB 1.671 34.084 32.500 -0.145 0.000 1.267 195 K HN 0.167 nan 8.250 nan 0.000 0.434 196 T N 3.221 117.518 114.554 -0.430 0.000 2.792 196 T HA 0.470 4.820 4.350 -0.001 0.000 0.280 196 T C -1.079 173.286 174.700 -0.558 0.000 0.990 196 T CA -0.360 61.544 62.100 -0.326 0.000 0.960 196 T CB 0.362 69.135 68.868 -0.158 0.000 0.939 196 T HN 0.366 nan 8.240 nan 0.000 0.439 197 W N 5.902 127.126 121.300 -0.127 0.000 2.296 197 W HA 0.378 5.038 4.660 -0.000 0.000 0.316 197 W C -2.315 174.172 176.519 -0.053 0.000 1.022 197 W CA -2.361 54.850 57.345 -0.224 0.000 1.324 197 W CB 1.082 30.324 29.460 -0.364 0.000 1.227 197 W HN 0.375 nan 8.180 nan 0.000 0.409 198 P HA 0.305 nan 4.420 nan 0.000 0.278 198 P C -0.503 177.046 177.300 0.415 0.000 1.238 198 P CA 0.040 63.276 63.100 0.227 0.000 0.794 198 P CB 1.740 33.514 31.700 0.123 0.000 0.955 199 I N 3.477 124.245 120.570 0.330 0.000 2.439 199 I HA 0.439 4.609 4.170 -0.001 0.000 0.283 199 I C -0.865 175.469 176.117 0.361 0.000 1.023 199 I CA -0.519 60.975 61.300 0.324 0.000 1.100 199 I CB 0.985 39.144 38.000 0.264 0.000 1.238 199 I HN 0.244 nan 8.210 nan 0.000 0.445 200 F N 5.881 125.903 119.950 0.119 0.000 2.775 200 F HA 0.328 4.854 4.527 -0.000 0.000 0.339 200 F C -0.903 174.997 175.800 0.166 0.000 1.159 200 F CA -0.835 57.236 58.000 0.119 0.000 1.145 200 F CB 0.922 39.932 39.000 0.017 0.000 1.408 200 F HN 0.316 nan 8.300 nan 0.000 0.597 201 N N 4.541 123.173 118.700 -0.114 0.000 2.365 201 N HA 0.218 4.958 4.740 -0.001 0.000 0.265 201 N C -0.559 174.935 175.510 -0.027 0.000 1.288 201 N CA 0.408 53.426 53.050 -0.054 0.000 0.869 201 N CB 0.431 38.846 38.487 -0.120 0.000 1.071 201 N HN 0.627 nan 8.380 nan 0.000 0.480 202 R N 1.219 121.727 120.500 0.013 0.000 2.535 202 R HA 0.176 4.516 4.340 -0.001 0.000 0.274 202 R C -1.809 174.500 176.300 0.014 0.000 1.090 202 R CA -0.729 55.394 56.100 0.037 0.000 0.930 202 R CB 0.815 31.158 30.300 0.071 0.000 1.223 202 R HN 0.318 nan 8.270 nan 0.000 0.441 203 D N 2.999 123.467 120.400 0.114 0.000 2.367 203 D HA 0.182 4.822 4.640 -0.001 0.000 0.255 203 D C -1.039 175.319 176.300 0.096 0.000 1.300 203 D CA 0.686 54.806 54.000 0.200 0.000 0.959 203 D CB 0.336 41.275 40.800 0.231 0.000 1.064 203 D HN 0.610 nan 8.370 nan 0.000 0.509 204 T N -0.411 114.112 114.554 -0.052 0.000 2.868 204 T HA 0.379 4.729 4.350 -0.001 0.000 0.306 204 T C -0.112 174.571 174.700 -0.028 0.000 1.224 204 T CA -0.971 61.121 62.100 -0.013 0.000 1.012 204 T CB 1.067 69.912 68.868 -0.039 0.000 1.221 204 T HN 0.076 nan 8.240 nan 0.000 0.499 205 T N 4.272 118.880 114.554 0.089 0.000 2.867 205 T HA 0.304 4.653 4.350 -0.001 0.000 0.297 205 T C -2.270 172.495 174.700 0.108 0.000 0.989 205 T CA -0.487 61.706 62.100 0.155 0.000 1.159 205 T CB 0.052 69.031 68.868 0.185 0.000 0.928 205 T HN 0.506 nan 8.240 nan 0.000 0.538 206 P HA 0.162 nan 4.420 nan 0.000 0.268 206 P C -0.605 176.826 177.300 0.218 0.000 1.485 206 P CA -0.397 62.794 63.100 0.150 0.000 1.102 206 P CB -0.004 31.826 31.700 0.217 0.000 1.501 207 N N 1.176 119.962 118.700 0.143 0.000 3.100 207 N HA 0.358 5.098 4.740 -0.001 0.000 0.344 207 N C 1.171 176.637 175.510 -0.074 0.000 1.413 207 N CA -0.815 52.355 53.050 0.201 0.000 0.752 207 N CB -0.422 38.193 38.487 0.214 0.000 1.519 207 N HN 0.021 nan 8.380 nan 0.000 0.620 208 G N -1.398 107.403 108.800 0.001 0.000 2.920 208 G HA2 -0.082 3.878 3.960 -0.001 0.000 0.208 208 G HA3 -0.082 3.878 3.960 -0.001 0.000 0.208 208 G C 0.287 175.152 174.900 -0.059 0.000 1.159 208 G CA -0.060 44.947 45.100 -0.155 0.000 0.784 208 G HN 0.539 nan 8.290 nan 0.000 0.535 209 N N 0.824 119.517 118.700 -0.012 0.000 2.398 209 N HA 0.054 4.794 4.740 -0.001 0.000 0.188 209 N C 1.693 177.191 175.510 -0.020 0.000 1.122 209 N CA 0.752 53.799 53.050 -0.005 0.000 0.866 209 N CB 0.308 38.806 38.487 0.018 0.000 0.970 209 N HN 0.331 nan 8.380 nan 0.000 0.462 210 G N 1.535 110.350 108.800 0.025 0.000 2.221 210 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.265 210 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.265 210 G C 0.419 175.406 174.900 0.145 0.000 1.041 210 G CA 0.987 46.173 45.100 0.144 0.000 0.807 210 G HN 0.504 nan 8.290 nan 0.000 0.502 211 T N -1.295 113.339 114.554 0.134 0.000 2.816 211 T HA 0.515 4.865 4.350 -0.001 0.000 0.282 211 T C 0.829 175.692 174.700 0.271 0.000 0.993 211 T CA -0.072 62.106 62.100 0.131 0.000 0.994 211 T CB 0.992 69.901 68.868 0.067 0.000 1.025 211 T HN 0.764 nan 8.240 nan 0.000 0.529 212 N N 1.695 120.544 118.700 0.249 0.000 2.412 212 N HA 0.083 4.822 4.740 -0.001 0.000 0.258 212 N C -0.249 175.307 175.510 0.076 0.000 1.236 212 N CA -0.041 53.163 53.050 0.256 0.000 0.882 212 N CB 0.209 38.838 38.487 0.237 0.000 1.066 212 N HN 0.699 nan 8.380 nan 0.000 0.465 213 L N 0.585 121.795 121.223 -0.022 0.000 2.777 213 L HA 0.308 4.647 4.340 -0.001 0.000 0.241 213 L C 1.211 177.937 176.870 -0.241 0.000 1.854 213 L CA -0.953 53.718 54.840 -0.281 0.000 2.070 213 L CB -0.283 41.570 42.059 -0.344 0.000 2.441 213 L HN 0.348 nan 8.230 nan 0.000 0.587 214 Y N -0.055 120.265 120.300 0.033 0.000 2.373 214 Y HA 0.130 4.680 4.550 -0.001 0.000 0.293 214 Y C 1.233 177.140 175.900 0.011 0.000 1.129 214 Y CA 0.463 58.570 58.100 0.012 0.000 1.226 214 Y CB -0.596 37.853 38.460 -0.018 0.000 1.000 214 Y HN 0.395 nan 8.280 nan 0.000 0.549 215 G N -0.962 107.926 108.800 0.147 0.000 2.630 215 G HA2 0.700 4.660 3.960 -0.001 0.000 0.296 215 G HA3 0.700 4.660 3.960 -0.001 0.000 0.296 215 G C -1.568 173.349 174.900 0.029 0.000 1.285 215 G CA -0.625 44.535 45.100 0.100 0.000 0.958 215 G HN 0.167 nan 8.290 nan 0.000 0.479 216 A N 0.682 123.524 122.820 0.036 0.000 2.310 216 A HA 0.729 5.048 4.320 -0.001 0.000 0.304 216 A C -0.656 176.787 177.584 -0.234 0.000 1.231 216 A CA -0.542 51.495 52.037 0.000 0.000 0.799 216 A CB 1.222 20.359 19.000 0.229 0.000 1.162 216 A HN 0.375 nan 8.150 nan 0.000 0.486 217 Q N 1.946 121.549 119.800 -0.329 0.000 2.337 217 Q HA 0.264 4.603 4.340 -0.001 0.000 0.260 217 Q C 0.439 176.267 176.000 -0.287 0.000 0.982 217 Q CA -0.073 55.383 55.803 -0.578 0.000 0.734 217 Q CB 1.614 29.519 28.738 -1.388 0.000 1.272 217 Q HN 0.887 nan 8.270 nan 0.000 0.461 218 T N -1.394 113.127 114.554 -0.054 0.000 3.081 218 T HA 0.160 4.510 4.350 -0.001 0.000 0.250 218 T C 0.557 175.453 174.700 0.326 0.000 1.100 218 T CA -0.160 62.037 62.100 0.162 0.000 1.038 218 T CB -0.049 68.841 68.868 0.037 0.000 0.962 218 T HN 0.292 nan 8.240 nan 0.000 0.516 219 F N 3.683 123.690 119.950 0.094 0.000 2.529 219 F HA 0.475 5.002 4.527 -0.001 0.000 0.365 219 F C -0.535 175.378 175.800 0.188 0.000 1.102 219 F CA -2.065 55.943 58.000 0.013 0.000 1.271 219 F CB 0.256 38.958 39.000 -0.497 0.000 1.120 219 F HN 0.262 nan 8.300 nan 0.000 0.579 220 F N 6.121 125.587 119.950 -0.807 0.000 2.588 220 F HA 0.687 5.214 4.527 -0.001 0.000 0.310 220 F C -2.101 172.996 175.800 -1.171 0.000 1.082 220 F CA -1.566 55.944 58.000 -0.818 0.000 0.929 220 F CB 0.954 39.697 39.000 -0.429 0.000 1.254 220 F HN 0.532 nan 8.300 nan 0.000 0.455 221 L N 3.537 124.424 121.223 -0.560 0.000 2.334 221 L HA 0.760 5.100 4.340 -0.001 0.000 0.276 221 L C -1.332 175.466 176.870 -0.120 0.000 1.014 221 L CA -0.602 54.008 54.840 -0.383 0.000 0.815 221 L CB 1.608 43.626 42.059 -0.070 0.000 1.268 221 L HN 1.101 nan 8.230 nan 0.000 0.428 222 C N 5.826 124.945 119.300 -0.301 0.000 2.396 222 C HA 0.538 4.997 4.460 -0.001 0.000 0.321 222 C C -0.520 174.412 174.990 -0.098 0.000 1.233 222 C CA -0.970 57.920 59.018 -0.213 0.000 1.440 222 C CB 0.853 28.382 27.740 -0.351 0.000 2.110 222 C HN 0.784 nan 8.230 nan 0.000 0.473 223 L N 6.266 127.469 121.223 -0.033 0.000 2.278 223 L HA 0.432 4.771 4.340 -0.001 0.000 0.287 223 L C 1.021 177.801 176.870 -0.150 0.000 1.072 223 L CA 0.833 55.610 54.840 -0.105 0.000 0.819 223 L CB 0.429 42.381 42.059 -0.178 0.000 1.176 223 L HN 0.855 nan 8.230 nan 0.000 0.435 224 E N 2.140 122.313 120.200 -0.045 0.000 2.072 224 E HA -0.029 4.321 4.350 -0.001 0.000 0.190 224 E C -0.465 176.107 176.600 -0.046 0.000 0.982 224 E CA 1.385 57.789 56.400 0.008 0.000 0.803 224 E CB 0.156 29.907 29.700 0.085 0.000 0.755 224 E HN 0.918 nan 8.360 nan 0.000 0.453 225 D N -2.907 117.465 120.400 -0.047 0.000 2.713 225 D HA 0.263 4.903 4.640 -0.001 0.000 0.306 225 D C 0.009 176.432 176.300 0.205 0.000 1.299 225 D CA -0.160 53.883 54.000 0.073 0.000 0.823 225 D CB 0.218 41.093 40.800 0.126 0.000 1.353 225 D HN -0.105 nan 8.370 nan 0.000 0.447 226 A N -0.026 123.064 122.820 0.451 0.000 2.076 226 A HA -0.073 4.247 4.320 -0.001 0.000 0.220 226 A C 1.910 179.754 177.584 0.433 0.000 1.160 226 A CA 2.281 54.654 52.037 0.560 0.000 0.653 226 A CB -1.171 18.096 19.000 0.444 0.000 0.801 226 A HN 0.794 nan 8.150 nan 0.000 0.455 227 S N -1.898 113.969 115.700 0.278 0.000 2.474 227 S HA 0.265 4.735 4.470 -0.001 0.000 0.235 227 S C 1.582 176.272 174.600 0.150 0.000 0.997 227 S CA 1.368 59.706 58.200 0.229 0.000 0.949 227 S CB -0.398 62.886 63.200 0.140 0.000 0.766 227 S HN 1.909 nan 8.310 nan 0.000 0.517 228 G N 0.483 109.282 108.800 -0.002 0.000 2.232 228 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.226 228 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.226 228 G C -0.003 174.696 174.900 -0.336 0.000 0.996 228 G CA -0.074 44.665 45.100 -0.602 0.000 0.626 228 G HN 0.523 nan 8.290 nan 0.000 0.509 229 L N 1.807 122.958 121.223 -0.120 0.000 2.540 229 L HA 0.480 4.820 4.340 -0.001 0.000 0.276 229 L C 0.514 177.375 176.870 -0.015 0.000 1.212 229 L CA 0.519 55.333 54.840 -0.043 0.000 0.893 229 L CB 0.907 42.978 42.059 0.019 0.000 1.138 229 L HN 0.230 nan 8.230 nan 0.000 0.491 230 S N 2.249 117.968 115.700 0.032 0.000 2.607 230 S HA 0.792 5.261 4.470 -0.001 0.000 0.273 230 S C -0.933 173.799 174.600 0.220 0.000 1.148 230 S CA -0.635 57.605 58.200 0.066 0.000 0.833 230 S CB 2.248 65.410 63.200 -0.064 0.000 1.130 230 S HN 0.486 nan 8.310 nan 0.000 0.470 231 F N -1.082 118.892 119.950 0.039 0.000 2.662 231 F HA 0.970 5.497 4.527 -0.001 0.000 0.312 231 F C -0.216 175.621 175.800 0.062 0.000 1.113 231 F CA -0.776 57.275 58.000 0.084 0.000 0.951 231 F CB 0.995 40.046 39.000 0.084 0.000 1.344 231 F HN 0.760 nan 8.300 nan 0.000 0.462 232 G N 0.452 109.261 108.800 0.015 0.000 2.605 232 G HA2 0.663 4.623 3.960 -0.001 0.000 0.296 232 G HA3 0.663 4.623 3.960 -0.001 0.000 0.296 232 G C -2.364 172.501 174.900 -0.058 0.000 1.304 232 G CA -1.199 43.755 45.100 -0.242 0.000 0.941 232 G HN 0.758 nan 8.290 nan 0.000 0.475 233 V N 0.430 120.039 119.914 -0.508 0.000 2.709 233 V HA 0.664 4.783 4.120 -0.001 0.000 0.308 233 V C -1.470 174.712 176.094 0.147 0.000 1.062 233 V CA -0.681 61.526 62.300 -0.155 0.000 0.901 233 V CB 1.755 33.449 31.823 -0.215 0.000 1.003 233 V HN 0.722 nan 8.190 nan 0.000 0.425 234 F N 5.577 125.674 119.950 0.247 0.000 2.529 234 F HA 0.781 5.308 4.527 -0.000 0.000 0.320 234 F C -1.183 174.642 175.800 0.041 0.000 1.118 234 F CA -1.150 57.002 58.000 0.253 0.000 0.915 234 F CB 1.820 41.123 39.000 0.505 0.000 1.161 234 F HN 0.406 nan 8.300 nan 0.000 0.445 235 L N 7.642 128.248 121.223 -1.028 0.000 2.265 235 L HA 0.517 4.857 4.340 -0.001 0.000 0.289 235 L C -0.649 175.354 176.870 -1.446 0.000 1.033 235 L CA -0.650 53.398 54.840 -1.321 0.000 0.814 235 L CB 1.141 42.404 42.059 -1.328 0.000 1.203 235 L HN 0.755 nan 8.230 nan 0.000 0.423 236 M N 6.414 125.386 119.600 -1.046 0.000 2.725 236 M HA 0.367 4.847 4.480 -0.001 0.000 0.322 236 M C -1.011 175.137 176.300 -0.254 0.000 1.393 236 M CA 0.544 55.553 55.300 -0.486 0.000 1.452 236 M CB -0.944 31.608 32.600 -0.080 0.000 1.242 236 M HN 0.641 nan 8.290 nan 0.000 0.487 237 N N 1.388 120.028 118.700 -0.101 0.000 2.493 237 N HA 0.184 4.924 4.740 -0.001 0.000 0.279 237 N C -0.775 174.857 175.510 0.203 0.000 1.082 237 N CA 0.089 53.136 53.050 -0.006 0.000 0.963 237 N CB 1.507 39.893 38.487 -0.169 0.000 1.627 237 N HN 0.527 nan 8.380 nan 0.000 0.499 238 S N 1.345 117.171 115.700 0.211 0.000 2.557 238 S HA 0.220 4.690 4.470 -0.001 0.000 0.223 238 S C 0.371 175.054 174.600 0.138 0.000 0.969 238 S CA -0.540 57.762 58.200 0.169 0.000 0.927 238 S CB -0.164 62.979 63.200 -0.095 0.000 0.806 238 S HN 0.487 nan 8.310 nan 0.000 0.489 239 N N 2.291 121.045 118.700 0.090 0.000 2.467 239 N HA 0.408 5.148 4.740 -0.001 0.000 0.262 239 N C 0.131 175.679 175.510 0.064 0.000 1.234 239 N CA 0.137 53.180 53.050 -0.012 0.000 0.952 239 N CB 0.860 39.292 38.487 -0.092 0.000 1.158 239 N HN 0.428 nan 8.380 nan 0.000 0.463 240 A N 1.565 124.385 122.820 0.000 0.000 2.587 240 A HA 0.201 4.521 4.320 -0.001 0.000 0.235 240 A C 0.417 177.990 177.584 -0.017 0.000 1.044 240 A CA 0.593 52.617 52.037 -0.023 0.000 0.754 240 A CB -0.339 18.328 19.000 -0.554 0.000 0.968 240 A HN 0.780 nan 8.150 nan 0.000 0.509 241 M N 1.241 120.882 119.600 0.068 0.000 2.773 241 M HA 0.757 5.237 4.480 -0.001 0.000 0.270 241 M C -1.112 175.264 176.300 0.126 0.000 1.238 241 M CA -0.708 54.643 55.300 0.085 0.000 0.832 241 M CB 1.932 34.596 32.600 0.107 0.000 1.672 241 M HN 0.756 nan 8.290 nan 0.000 0.480 242 E N 0.784 121.062 120.200 0.131 0.000 2.393 242 E HA 0.737 5.086 4.350 -0.001 0.000 0.273 242 E C -1.729 174.930 176.600 0.098 0.000 0.918 242 E CA -1.123 55.359 56.400 0.137 0.000 0.773 242 E CB 2.844 32.613 29.700 0.115 0.000 1.275 242 E HN 0.559 nan 8.360 nan 0.000 0.451 243 V N 1.470 121.427 119.914 0.073 0.000 2.409 243 V HA 0.315 4.435 4.120 -0.001 0.000 0.291 243 V C -0.459 175.598 176.094 -0.061 0.000 1.020 243 V CA -0.836 61.420 62.300 -0.075 0.000 0.848 243 V CB 1.522 33.266 31.823 -0.132 0.000 0.990 243 V HN 0.552 nan 8.190 nan 0.000 0.430 244 V N 6.467 126.314 119.914 -0.111 0.000 2.398 244 V HA 0.516 4.636 4.120 -0.001 0.000 0.286 244 V C -0.181 175.821 176.094 -0.153 0.000 1.026 244 V CA -0.472 61.781 62.300 -0.078 0.000 0.868 244 V CB 1.584 33.406 31.823 -0.001 0.000 0.982 244 V HN 0.631 nan 8.190 nan 0.000 0.443 245 L N 5.865 126.994 121.223 -0.157 0.000 2.329 245 L HA 0.736 5.076 4.340 -0.001 0.000 0.279 245 L C -0.196 176.491 176.870 -0.306 0.000 1.014 245 L CA -0.443 54.247 54.840 -0.250 0.000 0.814 245 L CB 1.794 43.718 42.059 -0.225 0.000 1.257 245 L HN 0.819 nan 8.230 nan 0.000 0.424 246 Q N 2.313 121.844 119.800 -0.449 0.000 2.501 246 Q HA 0.469 4.809 4.340 -0.001 0.000 0.288 246 Q C -2.688 172.872 176.000 -0.734 0.000 1.051 246 Q CA -1.970 53.326 55.803 -0.845 0.000 0.788 246 Q CB 2.656 30.770 28.738 -1.040 0.000 1.469 246 Q HN 0.194 nan 8.270 nan 0.000 0.416 247 P HA 0.035 nan 4.420 nan 0.000 0.253 247 P C 0.764 177.871 177.300 -0.322 0.000 1.281 247 P CA 0.849 63.658 63.100 -0.486 0.000 0.792 247 P CB -0.076 31.380 31.700 -0.408 0.000 1.193 248 A N 1.066 123.688 122.820 -0.331 0.000 1.927 248 A HA -0.098 4.222 4.320 -0.001 0.000 0.220 248 A C -0.739 176.752 177.584 -0.155 0.000 1.185 248 A CA 1.229 53.143 52.037 -0.205 0.000 0.639 248 A CB -2.426 16.462 19.000 -0.188 0.000 0.820 248 A HN 0.300 nan 8.150 nan 0.000 0.451 249 P HA 0.554 nan 4.420 nan 0.000 0.277 249 P C -0.669 176.496 177.300 -0.225 0.000 1.240 249 P CA 0.261 63.227 63.100 -0.224 0.000 0.798 249 P CB 1.470 33.049 31.700 -0.200 0.000 0.979 250 A N 1.858 124.512 122.820 -0.277 0.000 2.608 250 A HA 0.706 5.026 4.320 -0.001 0.000 0.292 250 A C -1.695 175.705 177.584 -0.307 0.000 1.066 250 A CA -0.627 51.255 52.037 -0.258 0.000 0.676 250 A CB 1.154 20.028 19.000 -0.210 0.000 1.277 250 A HN 0.575 nan 8.150 nan 0.000 0.413 251 I N 0.664 121.052 120.570 -0.304 0.000 2.533 251 I HA 0.669 4.839 4.170 -0.001 0.000 0.290 251 I C -0.939 175.032 176.117 -0.243 0.000 1.056 251 I CA -0.015 61.073 61.300 -0.354 0.000 1.057 251 I CB 2.260 39.928 38.000 -0.554 0.000 1.240 251 I HN 0.607 nan 8.210 nan 0.000 0.423 252 T N 6.343 120.775 114.554 -0.204 0.000 2.797 252 T HA 0.465 4.815 4.350 -0.001 0.000 0.279 252 T C -1.114 173.519 174.700 -0.112 0.000 0.991 252 T CA -0.116 61.941 62.100 -0.072 0.000 0.979 252 T CB 0.697 69.567 68.868 0.004 0.000 0.943 252 T HN 0.292 nan 8.240 nan 0.000 0.444 253 Y N 2.186 122.545 120.300 0.098 0.000 2.326 253 Y HA 0.492 5.042 4.550 -0.001 0.000 0.337 253 Y C 0.834 176.739 175.900 0.007 0.000 1.023 253 Y CA -0.733 57.428 58.100 0.102 0.000 1.143 253 Y CB 0.999 39.591 38.460 0.221 0.000 1.183 253 Y HN 0.347 nan 8.280 nan 0.000 0.485 254 R N 2.618 123.162 120.500 0.073 0.000 2.422 254 R HA 0.421 4.761 4.340 -0.001 0.000 0.307 254 R C -1.072 175.138 176.300 -0.150 0.000 1.004 254 R CA -0.176 55.834 56.100 -0.152 0.000 0.882 254 R CB 1.157 31.360 30.300 -0.162 0.000 1.164 254 R HN 0.748 nan 8.270 nan 0.000 0.489 255 T N 2.950 117.365 114.554 -0.232 0.000 2.930 255 T HA 0.420 4.770 4.350 -0.001 0.000 0.290 255 T C 0.800 175.399 174.700 -0.169 0.000 1.052 255 T CA -0.833 61.184 62.100 -0.139 0.000 1.017 255 T CB 1.011 69.820 68.868 -0.099 0.000 1.137 255 T HN 0.659 nan 8.240 nan 0.000 0.511 256 I N -0.265 120.266 120.570 -0.066 0.000 3.974 256 I HA 0.697 4.867 4.170 -0.001 0.000 0.334 256 I C 0.486 176.669 176.117 0.111 0.000 1.437 256 I CA -0.521 60.805 61.300 0.044 0.000 1.113 256 I CB 0.036 38.101 38.000 0.108 0.000 1.063 256 I HN 0.636 nan 8.210 nan 0.000 0.400 257 G N -0.337 108.481 108.800 0.030 0.000 2.490 257 G HA2 0.530 4.490 3.960 -0.001 0.000 0.308 257 G HA3 0.530 4.490 3.960 -0.001 0.000 0.308 257 G C -0.146 174.778 174.900 0.039 0.000 1.286 257 G CA -0.053 45.112 45.100 0.109 0.000 0.825 257 G HN 0.655 nan 8.290 nan 0.000 0.479 258 G N -0.796 108.086 108.800 0.136 0.000 2.547 258 G HA2 0.237 4.197 3.960 -0.001 0.000 0.271 258 G HA3 0.237 4.197 3.960 -0.001 0.000 0.271 258 G C 0.196 175.090 174.900 -0.010 0.000 1.209 258 G CA 1.094 46.293 45.100 0.164 0.000 0.959 258 G HN 2.210 nan 8.290 nan 0.000 0.563 259 I N -3.113 117.419 120.570 -0.064 0.000 3.074 259 I HA 0.765 4.935 4.170 -0.001 0.000 0.310 259 I C -0.280 175.724 176.117 -0.189 0.000 1.153 259 I CA -1.486 59.759 61.300 -0.093 0.000 0.993 259 I CB 2.093 40.103 38.000 0.016 0.000 1.237 259 I HN 0.549 nan 8.210 nan 0.000 0.443 260 L N 2.859 123.997 121.223 -0.142 0.000 2.282 260 L HA 0.378 4.717 4.340 -0.001 0.000 0.287 260 L C -0.922 175.714 176.870 -0.390 0.000 1.075 260 L CA 0.102 54.776 54.840 -0.275 0.000 0.839 260 L CB 0.161 42.239 42.059 0.031 0.000 1.219 260 L HN 0.556 nan 8.230 nan 0.000 0.434 261 D N 3.937 123.952 120.400 -0.641 0.000 2.454 261 D HA 0.321 4.961 4.640 -0.001 0.000 0.247 261 D C -1.051 174.753 176.300 -0.828 0.000 1.129 261 D CA -0.225 53.423 54.000 -0.587 0.000 0.877 261 D CB 0.640 41.240 40.800 -0.333 0.000 1.082 261 D HN -0.006 nan 8.370 nan 0.000 0.537 262 F N 2.605 121.963 119.950 -0.986 0.000 2.480 262 F HA 0.486 5.013 4.527 -0.001 0.000 0.329 262 F C -0.388 174.807 175.800 -1.009 0.000 1.091 262 F CA -0.587 56.788 58.000 -1.042 0.000 0.972 262 F CB 1.406 39.441 39.000 -1.607 0.000 1.150 262 F HN 0.186 nan 8.300 nan 0.000 0.467 263 Y N 1.236 121.376 120.300 -0.267 0.000 2.409 263 Y HA 0.680 5.230 4.550 -0.001 0.000 0.343 263 Y C -0.726 174.855 175.900 -0.531 0.000 0.973 263 Y CA -1.133 56.713 58.100 -0.422 0.000 1.064 263 Y CB 2.011 40.226 38.460 -0.409 0.000 1.207 263 Y HN 0.175 nan 8.280 nan 0.000 0.452 264 V N 4.323 123.978 119.914 -0.431 0.000 2.487 264 V HA 0.471 4.591 4.120 -0.001 0.000 0.298 264 V C -1.065 174.816 176.094 -0.355 0.000 1.028 264 V CA -1.090 61.064 62.300 -0.243 0.000 0.860 264 V CB 1.226 33.048 31.823 -0.002 0.000 0.991 264 V HN 0.489 nan 8.190 nan 0.000 0.427 265 F N 4.825 124.911 119.950 0.226 0.000 2.495 265 F HA 0.776 5.302 4.527 -0.001 0.000 0.327 265 F C -0.361 175.570 175.800 0.220 0.000 1.103 265 F CA -0.827 57.290 58.000 0.196 0.000 0.949 265 F CB 1.667 40.794 39.000 0.212 0.000 1.142 265 F HN 0.184 nan 8.300 nan 0.000 0.457 266 L N 1.861 123.293 121.223 0.349 0.000 2.342 266 L HA 0.947 5.286 4.340 -0.001 0.000 0.271 266 L C 0.156 177.160 176.870 0.223 0.000 1.008 266 L CA -0.362 54.651 54.840 0.288 0.000 0.818 266 L CB 2.105 44.315 42.059 0.251 0.000 1.296 266 L HN 0.777 nan 8.230 nan 0.000 0.427 267 G N 0.165 109.063 108.800 0.163 0.000 2.704 267 G HA2 0.287 4.247 3.960 -0.001 0.000 0.293 267 G HA3 0.287 4.247 3.960 -0.001 0.000 0.293 267 G C -0.205 174.719 174.900 0.038 0.000 1.421 267 G CA -0.492 44.662 45.100 0.090 0.000 0.870 267 G HN 0.421 nan 8.290 nan 0.000 0.492 268 N N -0.526 118.179 118.700 0.009 0.000 2.457 268 N HA 0.050 4.790 4.740 -0.001 0.000 0.180 268 N C 0.902 176.331 175.510 -0.135 0.000 1.050 268 N CA 1.311 54.344 53.050 -0.029 0.000 0.906 268 N CB 0.346 38.834 38.487 0.002 0.000 0.968 268 N HN 0.803 nan 8.380 nan 0.000 0.445 269 T N -4.300 110.156 114.554 -0.163 0.000 2.868 269 T HA 0.367 4.717 4.350 -0.001 0.000 0.306 269 T C -2.493 172.053 174.700 -0.257 0.000 1.224 269 T CA -1.632 60.275 62.100 -0.321 0.000 1.012 269 T CB 2.526 71.268 68.868 -0.210 0.000 1.221 269 T HN -0.362 nan 8.240 nan 0.000 0.499 270 P HA -0.105 nan 4.420 nan 0.000 0.216 270 P C 1.542 178.624 177.300 -0.364 0.000 1.153 270 P CA 1.060 63.882 63.100 -0.462 0.000 0.858 270 P CB 0.130 31.250 31.700 -0.967 0.000 0.789 271 E N -0.256 119.792 120.200 -0.253 0.000 2.118 271 E HA -0.212 4.138 4.350 -0.001 0.000 0.195 271 E C 2.051 178.626 176.600 -0.041 0.000 0.992 271 E CA 1.237 57.604 56.400 -0.054 0.000 0.804 271 E CB -0.490 29.227 29.700 0.028 0.000 0.741 271 E HN 0.483 nan 8.360 nan 0.000 0.458 272 Q N 0.157 119.929 119.800 -0.047 0.000 2.167 272 Q HA -0.078 4.262 4.340 -0.001 0.000 0.202 272 Q C 2.358 178.357 176.000 -0.001 0.000 0.970 272 Q CA 0.912 56.703 55.803 -0.019 0.000 0.855 272 Q CB 0.046 28.783 28.738 -0.002 0.000 0.911 272 Q HN 0.104 nan 8.270 nan 0.000 0.438 273 V N 0.274 120.193 119.914 0.008 0.000 2.343 273 V HA -0.229 3.890 4.120 -0.001 0.000 0.247 273 V C 2.212 178.321 176.094 0.025 0.000 1.051 273 V CA 1.426 63.770 62.300 0.072 0.000 1.036 273 V CB -0.413 31.473 31.823 0.104 0.000 0.654 273 V HN 0.184 nan 8.190 nan 0.000 0.451 274 V N -0.415 119.508 119.914 0.015 0.000 2.358 274 V HA -0.315 3.804 4.120 -0.001 0.000 0.246 274 V C 2.437 178.436 176.094 -0.159 0.000 1.047 274 V CA 2.026 64.297 62.300 -0.049 0.000 1.035 274 V CB -0.794 31.048 31.823 0.033 0.000 0.658 274 V HN 0.573 nan 8.190 nan 0.000 0.452 275 Q N -0.444 119.284 119.800 -0.120 0.000 2.061 275 Q HA -0.224 4.116 4.340 -0.001 0.000 0.204 275 Q C 2.389 178.275 176.000 -0.191 0.000 0.984 275 Q CA 1.652 57.364 55.803 -0.151 0.000 0.846 275 Q CB -0.221 28.458 28.738 -0.098 0.000 0.902 275 Q HN 0.594 nan 8.270 nan 0.000 0.421 276 E N 0.078 120.187 120.200 -0.151 0.000 2.077 276 E HA -0.197 4.153 4.350 -0.001 0.000 0.193 276 E C 1.796 178.094 176.600 -0.502 0.000 0.989 276 E CA 0.985 57.297 56.400 -0.148 0.000 0.800 276 E CB -0.389 29.352 29.700 0.068 0.000 0.746 276 E HN 0.411 nan 8.360 nan 0.000 0.452 277 Y N 1.660 121.338 120.300 -1.036 0.000 2.128 277 Y HA -0.180 4.370 4.550 -0.001 0.000 0.284 277 Y C 2.182 177.543 175.900 -0.898 0.000 1.154 277 Y CA 1.443 58.640 58.100 -1.504 0.000 1.149 277 Y CB -0.512 37.005 38.460 -1.572 0.000 0.976 277 Y HN -0.064 nan 8.280 nan 0.000 0.505 278 L N 0.086 120.825 121.223 -0.807 0.000 2.201 278 L HA -0.124 4.216 4.340 -0.001 0.000 0.212 278 L C 2.339 178.899 176.870 -0.517 0.000 1.105 278 L CA 1.488 55.896 54.840 -0.720 0.000 0.775 278 L CB -0.600 41.171 42.059 -0.480 0.000 0.913 278 L HN 0.204 nan 8.230 nan 0.000 0.440 279 E N 1.137 121.106 120.200 -0.385 0.000 2.106 279 E HA -0.229 4.121 4.350 -0.001 0.000 0.192 279 E C 1.988 178.476 176.600 -0.187 0.000 0.984 279 E CA 1.210 57.476 56.400 -0.223 0.000 0.806 279 E CB -0.140 29.481 29.700 -0.132 0.000 0.750 279 E HN 0.321 nan 8.360 nan 0.000 0.458 280 L N 0.165 121.214 121.223 -0.290 0.000 1.993 280 L HA -0.014 4.325 4.340 -0.001 0.000 0.206 280 L C 2.085 178.773 176.870 -0.304 0.000 1.074 280 L CA 1.888 56.566 54.840 -0.271 0.000 0.746 280 L CB -0.471 41.419 42.059 -0.280 0.000 0.896 280 L HN 0.360 nan 8.230 nan 0.000 0.435 281 I N -1.071 119.123 120.570 -0.627 0.000 3.419 281 I HA 0.458 4.627 4.170 -0.001 0.000 0.286 281 I C 0.779 176.653 176.117 -0.405 0.000 1.268 281 I CA 0.268 61.238 61.300 -0.549 0.000 1.414 281 I CB -0.861 36.585 38.000 -0.924 0.000 1.074 281 I HN 0.279 nan 8.210 nan 0.000 0.457 282 G N 1.283 109.710 108.800 -0.622 0.000 3.187 282 G HA2 -0.057 3.902 3.960 -0.001 0.000 0.682 282 G HA3 -0.057 3.902 3.960 -0.001 0.000 0.682 282 G C -0.595 173.954 174.900 -0.584 0.000 1.266 282 G CA -1.088 43.471 45.100 -0.902 0.000 0.902 282 G HN 0.283 nan 8.290 nan 0.000 0.589 283 R N 3.193 123.398 120.500 -0.491 0.000 2.582 283 R HA 0.462 4.801 4.340 -0.001 0.000 0.271 283 R C -1.730 174.406 176.300 -0.274 0.000 1.078 283 R CA -1.158 54.727 56.100 -0.359 0.000 1.127 283 R CB 0.799 30.892 30.300 -0.344 0.000 1.038 283 R HN 0.440 nan 8.270 nan 0.000 0.500 284 P HA 0.025 nan 4.420 nan 0.000 0.272 284 P C -0.883 176.421 177.300 0.007 0.000 1.223 284 P CA -0.150 62.896 63.100 -0.090 0.000 0.784 284 P CB 0.662 32.351 31.700 -0.018 0.000 0.923 285 A N 2.467 125.247 122.820 -0.068 0.000 2.425 285 A HA 0.209 4.529 4.320 -0.001 0.000 0.242 285 A C 0.001 177.453 177.584 -0.221 0.000 1.077 285 A CA -0.292 51.678 52.037 -0.112 0.000 0.781 285 A CB -0.382 18.520 19.000 -0.163 0.000 1.020 285 A HN 0.575 nan 8.150 nan 0.000 0.494 286 L N 3.171 124.058 121.223 -0.560 0.000 2.313 286 L HA 0.427 4.767 4.340 -0.001 0.000 0.282 286 L C -2.085 174.585 176.870 -0.332 0.000 1.092 286 L CA -1.575 52.958 54.840 -0.512 0.000 0.831 286 L CB 0.408 42.029 42.059 -0.729 0.000 1.159 286 L HN 0.408 nan 8.230 nan 0.000 0.442 287 P HA 0.194 nan 4.420 nan 0.000 0.272 287 P C -0.759 176.372 177.300 -0.282 0.000 1.230 287 P CA -0.351 62.535 63.100 -0.357 0.000 0.788 287 P CB 0.533 31.883 31.700 -0.583 0.000 0.949 288 S N 0.635 116.087 115.700 -0.414 0.000 2.562 288 S HA -0.008 4.462 4.470 -0.001 0.000 0.281 288 S C 0.880 175.194 174.600 -0.478 0.000 1.333 288 S CA -0.129 57.777 58.200 -0.491 0.000 1.052 288 S CB -0.225 62.382 63.200 -0.989 0.000 0.884 288 S HN 0.453 nan 8.310 nan 0.000 0.506 289 Y N 3.056 123.093 120.300 -0.437 0.000 2.207 289 Y HA -0.195 4.355 4.550 -0.001 0.000 0.287 289 Y C 2.065 177.764 175.900 -0.336 0.000 1.156 289 Y CA 2.000 59.813 58.100 -0.477 0.000 1.182 289 Y CB -0.113 37.962 38.460 -0.643 0.000 0.979 289 Y HN 0.920 nan 8.280 nan 0.000 0.521 290 W N -0.522 120.741 121.300 -0.060 0.000 2.392 290 W HA -0.078 4.582 4.660 -0.001 0.000 0.279 290 W C 1.812 178.196 176.519 -0.225 0.000 1.225 290 W CA 0.877 58.144 57.345 -0.130 0.000 1.233 290 W CB -1.163 28.221 29.460 -0.126 0.000 1.122 290 W HN 0.201 nan 8.180 nan 0.000 0.561 291 A N 1.655 124.040 122.820 -0.724 0.000 2.168 291 A HA 0.015 4.335 4.320 -0.001 0.000 0.215 291 A C 2.134 179.625 177.584 -0.155 0.000 1.152 291 A CA 0.918 52.589 52.037 -0.610 0.000 0.716 291 A CB -0.796 17.703 19.000 -0.836 0.000 0.794 291 A HN 0.379 nan 8.150 nan 0.000 0.465 292 L N -0.788 120.274 121.223 -0.269 0.000 2.492 292 L HA 0.088 4.427 4.340 -0.001 0.000 0.223 292 L C 1.714 178.503 176.870 -0.135 0.000 1.132 292 L CA 0.105 54.822 54.840 -0.206 0.000 0.850 292 L CB -0.846 40.978 42.059 -0.392 0.000 0.966 292 L HN 0.437 nan 8.230 nan 0.000 0.454 293 G N -0.437 108.282 108.800 -0.136 0.000 2.553 293 G HA2 0.121 4.081 3.960 -0.001 0.000 0.278 293 G HA3 0.121 4.081 3.960 -0.001 0.000 0.278 293 G C -0.849 174.225 174.900 0.290 0.000 1.349 293 G CA -0.455 44.636 45.100 -0.015 0.000 1.037 293 G HN -0.074 nan 8.290 nan 0.000 0.508 294 F N 0.221 120.368 119.950 0.329 0.000 2.412 294 F HA 0.454 4.980 4.527 -0.001 0.000 0.348 294 F C 0.010 175.917 175.800 0.178 0.000 1.102 294 F CA -0.704 57.447 58.000 0.251 0.000 1.196 294 F CB 0.629 39.767 39.000 0.232 0.000 1.144 294 F HN 0.324 nan 8.300 nan 0.000 0.541 295 H N 5.457 124.160 119.070 -0.612 0.000 2.469 295 H HA 0.595 5.151 4.556 -0.001 0.000 0.342 295 H C -1.096 173.710 175.328 -0.870 0.000 1.115 295 H CA -0.723 55.036 56.048 -0.482 0.000 1.204 295 H CB 1.645 31.133 29.762 -0.456 0.000 1.492 295 H HN 0.621 nan 8.280 nan 0.000 0.499 296 L N 1.625 122.689 121.223 -0.266 0.000 2.354 296 L HA 0.749 5.088 4.340 -0.001 0.000 0.269 296 L C -0.510 176.397 176.870 0.061 0.000 1.005 296 L CA -0.165 54.543 54.840 -0.220 0.000 0.819 296 L CB 1.927 43.889 42.059 -0.162 0.000 1.311 296 L HN 0.659 nan 8.230 nan 0.000 0.423 297 S N 3.084 118.862 115.700 0.130 0.000 2.565 297 S HA 0.867 5.336 4.470 -0.001 0.000 0.274 297 S C -1.682 173.120 174.600 0.336 0.000 1.144 297 S CA -0.644 57.738 58.200 0.304 0.000 0.849 297 S CB 1.146 64.325 63.200 -0.036 0.000 1.103 297 S HN 0.983 nan 8.310 nan 0.000 0.455 298 R N 2.010 122.651 120.500 0.236 0.000 2.663 298 R HA 0.370 4.710 4.340 -0.001 0.000 0.267 298 R C -1.872 174.505 176.300 0.129 0.000 1.038 298 R CA -1.012 55.079 56.100 -0.016 0.000 0.886 298 R CB 0.483 30.511 30.300 -0.453 0.000 1.249 298 R HN 0.679 nan 8.270 nan 0.000 0.463 299 Y N 3.055 123.376 120.300 0.035 0.000 2.480 299 Y HA 0.074 4.624 4.550 -0.001 0.000 0.341 299 Y C -0.371 175.445 175.900 -0.140 0.000 1.031 299 Y CA -0.003 58.124 58.100 0.046 0.000 1.295 299 Y CB 0.570 39.106 38.460 0.127 0.000 1.162 299 Y HN 0.817 nan 8.280 nan 0.000 0.523 300 E N 4.808 125.085 120.200 0.129 0.000 2.379 300 E HA -0.276 4.074 4.350 -0.001 0.000 0.206 300 E C -0.402 176.149 176.600 -0.083 0.000 1.297 300 E CA 0.509 56.883 56.400 -0.044 0.000 0.676 300 E CB -1.731 27.798 29.700 -0.285 0.000 1.164 300 E HN 0.930 nan 8.360 nan 0.000 0.402 301 Y N 0.009 120.387 120.300 0.130 0.000 2.224 301 Y HA -0.177 4.373 4.550 -0.001 0.000 0.289 301 Y C 2.421 178.341 175.900 0.033 0.000 1.146 301 Y CA 2.173 60.322 58.100 0.082 0.000 1.182 301 Y CB -0.068 38.466 38.460 0.123 0.000 0.983 301 Y HN 0.654 nan 8.280 nan 0.000 0.524 302 G N -1.035 107.909 108.800 0.240 0.000 2.729 302 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.216 302 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.216 302 G C 0.439 175.422 174.900 0.137 0.000 1.252 302 G CA 0.430 45.612 45.100 0.136 0.000 0.751 302 G HN 0.626 nan 8.290 nan 0.000 0.527 303 T N -2.075 112.440 114.554 -0.065 0.000 2.883 303 T HA 0.656 5.006 4.350 -0.001 0.000 0.301 303 T C 0.945 175.086 174.700 -0.932 0.000 1.158 303 T CA 0.231 62.053 62.100 -0.462 0.000 1.007 303 T CB 2.065 70.765 68.868 -0.280 0.000 1.186 303 T HN 1.107 nan 8.240 nan 0.000 0.499 304 L N 1.002 121.299 121.223 -1.544 0.000 2.079 304 L HA -0.001 4.339 4.340 -0.001 0.000 0.210 304 L C 1.884 178.381 176.870 -0.621 0.000 1.081 304 L CA 2.116 56.240 54.840 -1.194 0.000 0.752 304 L CB -0.981 40.489 42.059 -0.981 0.000 0.896 304 L HN 0.780 nan 8.230 nan 0.000 0.433 305 D N -0.266 119.883 120.400 -0.418 0.000 2.116 305 D HA -0.203 4.436 4.640 -0.001 0.000 0.193 305 D C 1.917 178.095 176.300 -0.203 0.000 0.998 305 D CA 1.452 55.307 54.000 -0.242 0.000 0.836 305 D CB -0.290 40.412 40.800 -0.164 0.000 0.951 305 D HN 0.398 nan 8.370 nan 0.000 0.449 306 N N -0.032 118.552 118.700 -0.194 0.000 2.188 306 N HA -0.098 4.641 4.740 -0.001 0.000 0.184 306 N C 1.813 177.238 175.510 -0.142 0.000 1.018 306 N CA 0.420 53.415 53.050 -0.091 0.000 0.858 306 N CB -0.337 38.151 38.487 0.002 0.000 0.989 306 N HN 0.279 nan 8.380 nan 0.000 0.426 307 M N 0.701 120.092 119.600 -0.349 0.000 2.067 307 M HA -0.131 4.349 4.480 -0.001 0.000 0.260 307 M C 2.235 178.291 176.300 -0.406 0.000 1.069 307 M CA 1.438 56.323 55.300 -0.691 0.000 1.117 307 M CB -0.005 32.144 32.600 -0.753 0.000 1.334 307 M HN -0.015 nan 8.290 nan 0.000 0.407 308 R N 0.125 120.423 120.500 -0.336 0.000 2.117 308 R HA -0.241 4.098 4.340 -0.001 0.000 0.243 308 R C 2.080 178.380 176.300 0.000 0.000 1.143 308 R CA 2.242 58.305 56.100 -0.062 0.000 0.968 308 R CB -0.389 29.887 30.300 -0.040 0.000 0.863 308 R HN 0.586 nan 8.270 nan 0.000 0.444 309 E N -0.321 119.851 120.200 -0.047 0.000 2.058 309 E HA -0.175 4.175 4.350 -0.001 0.000 0.194 309 E C 1.849 178.467 176.600 0.029 0.000 0.997 309 E CA 1.717 58.114 56.400 -0.005 0.000 0.801 309 E CB 0.094 29.784 29.700 -0.017 0.000 0.746 309 E HN 0.194 nan 8.360 nan 0.000 0.450 310 V N 0.605 120.533 119.914 0.023 0.000 2.295 310 V HA -0.257 3.863 4.120 -0.001 0.000 0.246 310 V C 2.488 178.650 176.094 0.113 0.000 1.049 310 V CA 1.545 63.891 62.300 0.076 0.000 1.024 310 V CB -0.487 31.419 31.823 0.138 0.000 0.648 310 V HN 0.209 nan 8.190 nan 0.000 0.447 311 V N -0.072 119.930 119.914 0.147 0.000 2.287 311 V HA -0.315 3.805 4.120 -0.001 0.000 0.248 311 V C 2.453 178.706 176.094 0.264 0.000 1.053 311 V CA 2.333 64.821 62.300 0.314 0.000 1.027 311 V CB -0.683 31.337 31.823 0.328 0.000 0.646 311 V HN 0.613 nan 8.190 nan 0.000 0.447 312 E N 0.079 120.375 120.200 0.159 0.000 2.072 312 E HA -0.231 4.118 4.350 -0.001 0.000 0.191 312 E C 2.367 179.028 176.600 0.102 0.000 0.985 312 E CA 1.352 57.821 56.400 0.115 0.000 0.801 312 E CB -0.176 29.570 29.700 0.077 0.000 0.750 312 E HN 0.709 nan 8.360 nan 0.000 0.452 313 R N 0.760 121.313 120.500 0.088 0.000 2.148 313 R HA 0.005 4.345 4.340 -0.001 0.000 0.227 313 R C 1.708 178.055 176.300 0.078 0.000 1.103 313 R CA 1.243 57.385 56.100 0.069 0.000 0.983 313 R CB -0.208 30.123 30.300 0.051 0.000 0.874 313 R HN 0.065 nan 8.270 nan 0.000 0.451 314 N N 0.985 119.746 118.700 0.101 0.000 2.290 314 N HA -0.017 4.723 4.740 -0.001 0.000 0.179 314 N C 1.669 177.280 175.510 0.168 0.000 1.016 314 N CA 0.769 53.867 53.050 0.080 0.000 0.871 314 N CB -0.034 38.406 38.487 -0.078 0.000 0.987 314 N HN 0.327 nan 8.380 nan 0.000 0.431 315 R N 1.119 121.766 120.500 0.246 0.000 2.081 315 R HA 0.003 4.343 4.340 -0.001 0.000 0.235 315 R C 2.216 178.574 176.300 0.097 0.000 1.131 315 R CA 1.265 57.476 56.100 0.185 0.000 0.960 315 R CB -0.272 30.110 30.300 0.137 0.000 0.856 315 R HN 0.144 nan 8.270 nan 0.000 0.436 316 A N 1.167 124.034 122.820 0.078 0.000 1.972 316 A HA -0.038 4.282 4.320 -0.001 0.000 0.219 316 A C 2.151 179.759 177.584 0.039 0.000 1.169 316 A CA 1.514 53.580 52.037 0.049 0.000 0.635 316 A CB -0.338 18.688 19.000 0.043 0.000 0.810 316 A HN 0.378 nan 8.150 nan 0.000 0.446 317 A N -1.536 121.311 122.820 0.045 0.000 2.238 317 A HA 0.220 4.540 4.320 -0.001 0.000 0.208 317 A C 0.804 178.397 177.584 0.016 0.000 1.177 317 A CA 0.738 52.792 52.037 0.028 0.000 0.804 317 A CB -0.213 18.804 19.000 0.028 0.000 0.823 317 A HN 0.458 nan 8.150 nan 0.000 0.482 318 Q N -2.125 117.691 119.800 0.026 0.000 2.475 318 Q HA -0.214 4.125 4.340 -0.001 0.000 0.280 318 Q C -0.264 175.728 176.000 -0.014 0.000 1.234 318 Q CA 0.711 56.520 55.803 0.010 0.000 0.873 318 Q CB -2.434 26.301 28.738 -0.005 0.000 1.256 318 Q HN 0.577 nan 8.270 nan 0.000 0.475 319 L N 1.470 122.699 121.223 0.010 0.000 2.367 319 L HA 0.284 4.624 4.340 -0.001 0.000 0.275 319 L C -1.927 174.929 176.870 -0.024 0.000 1.129 319 L CA -1.169 53.646 54.840 -0.042 0.000 0.839 319 L CB 0.598 42.631 42.059 -0.043 0.000 1.133 319 L HN -0.157 nan 8.230 nan 0.000 0.453 320 P HA 0.080 nan 4.420 nan 0.000 0.266 320 P C -1.784 175.539 177.300 0.037 0.000 1.215 320 P CA 0.439 63.299 63.100 -0.400 0.000 0.763 320 P CB 0.108 31.147 31.700 -1.102 0.000 0.806 321 Y N 2.964 123.311 120.300 0.078 0.000 2.283 321 Y HA 0.222 4.771 4.550 -0.001 0.000 0.329 321 Y C -0.468 175.535 175.900 0.172 0.000 1.181 321 Y CA -0.963 57.286 58.100 0.248 0.000 1.283 321 Y CB 0.400 38.980 38.460 0.200 0.000 1.186 321 Y HN 0.215 nan 8.280 nan 0.000 0.436 322 D N 2.639 123.198 120.400 0.266 0.000 2.324 322 D HA 0.244 4.883 4.640 -0.001 0.000 0.212 322 D C -0.366 175.845 176.300 -0.149 0.000 0.984 322 D CA 1.249 55.269 54.000 0.033 0.000 0.885 322 D CB 0.826 41.699 40.800 0.120 0.000 0.996 322 D HN 0.164 nan 8.370 nan 0.000 0.505 323 V N 0.893 120.745 119.914 -0.104 0.000 2.638 323 V HA 0.436 4.556 4.120 -0.001 0.000 0.306 323 V C -0.785 175.401 176.094 0.154 0.000 1.052 323 V CA -1.000 61.235 62.300 -0.108 0.000 0.885 323 V CB 1.927 33.587 31.823 -0.272 0.000 0.999 323 V HN -0.160 nan 8.190 nan 0.000 0.424 324 Q N 2.852 122.755 119.800 0.171 0.000 2.316 324 Q HA 0.451 4.791 4.340 -0.001 0.000 0.264 324 Q C -0.848 175.404 176.000 0.419 0.000 0.987 324 Q CA -0.198 55.820 55.803 0.357 0.000 0.852 324 Q CB 1.120 30.040 28.738 0.304 0.000 1.287 324 Q HN 0.833 nan 8.270 nan 0.000 0.448 325 H N 1.469 120.715 119.070 0.293 0.000 2.483 325 H HA 0.778 5.333 4.556 -0.001 0.000 0.338 325 H C -1.054 174.560 175.328 0.477 0.000 1.152 325 H CA -0.855 55.404 56.048 0.352 0.000 1.264 325 H CB 1.829 31.728 29.762 0.228 0.000 1.510 325 H HN 0.720 nan 8.280 nan 0.000 0.530 326 A N 2.887 126.064 122.820 0.594 0.000 2.335 326 A HA 0.199 4.518 4.320 -0.001 0.000 0.304 326 A C -0.456 177.494 177.584 0.610 0.000 1.118 326 A CA -0.731 51.660 52.037 0.590 0.000 0.757 326 A CB 1.186 20.467 19.000 0.468 0.000 1.188 326 A HN 0.711 nan 8.150 nan 0.000 0.460 327 D N 1.256 121.959 120.400 0.505 0.000 2.511 327 D HA 0.261 4.901 4.640 -0.001 0.000 0.276 327 D C 1.827 178.091 176.300 -0.059 0.000 1.220 327 D CA -0.174 53.938 54.000 0.186 0.000 1.077 327 D CB 0.767 41.718 40.800 0.252 0.000 1.126 327 D HN 0.505 nan 8.370 nan 0.000 0.583 328 I N -1.112 119.239 120.570 -0.365 0.000 2.530 328 I HA -0.186 3.984 4.170 -0.001 0.000 0.257 328 I C 1.362 177.207 176.117 -0.453 0.000 1.179 328 I CA 1.053 62.020 61.300 -0.555 0.000 1.440 328 I CB -0.487 37.094 38.000 -0.700 0.000 1.087 328 I HN 0.217 nan 8.210 nan 0.000 0.440 329 D N 2.220 122.501 120.400 -0.199 0.000 2.221 329 D HA -0.319 4.321 4.640 -0.001 0.000 0.204 329 D C 2.089 178.142 176.300 -0.413 0.000 0.982 329 D CA 1.869 55.800 54.000 -0.115 0.000 0.857 329 D CB -0.988 39.894 40.800 0.136 0.000 0.934 329 D HN 0.753 nan 8.370 nan 0.000 0.475 330 Y N 0.904 120.739 120.300 -0.775 0.000 2.274 330 Y HA 0.046 4.595 4.550 -0.001 0.000 0.290 330 Y C 1.447 176.992 175.900 -0.592 0.000 1.145 330 Y CA -0.274 56.954 58.100 -1.453 0.000 1.203 330 Y CB -0.785 37.064 38.460 -1.019 0.000 0.984 330 Y HN -0.183 nan 8.280 nan 0.000 0.533 331 M N 1.711 120.851 119.600 -0.767 0.000 2.232 331 M HA -0.006 4.474 4.480 -0.001 0.000 0.321 331 M C -0.261 175.929 176.300 -0.183 0.000 1.101 331 M CA 0.101 55.134 55.300 -0.446 0.000 1.181 331 M CB 0.145 32.387 32.600 -0.597 0.000 1.432 331 M HN 0.116 nan 8.290 nan 0.000 0.457 332 D N 2.773 123.121 120.400 -0.086 0.000 2.359 332 D HA 0.016 4.655 4.640 -0.001 0.000 0.250 332 D C -0.255 175.982 176.300 -0.106 0.000 1.264 332 D CA 0.431 54.392 54.000 -0.065 0.000 0.911 332 D CB 0.185 40.962 40.800 -0.038 0.000 1.056 332 D HN 0.540 nan 8.370 nan 0.000 0.499 333 E N 3.450 123.593 120.200 -0.095 0.000 2.389 333 E HA -0.300 4.049 4.350 -0.001 0.000 0.243 333 E C 0.007 176.536 176.600 -0.119 0.000 1.154 333 E CA 0.512 56.856 56.400 -0.094 0.000 0.723 333 E CB -1.399 28.243 29.700 -0.096 0.000 1.261 333 E HN 0.801 nan 8.360 nan 0.000 0.390 334 R N -1.592 118.810 120.500 -0.162 0.000 3.770 334 R HA -0.221 4.118 4.340 -0.001 0.000 0.305 334 R C 0.070 176.258 176.300 -0.186 0.000 1.184 334 R CA 1.356 57.341 56.100 -0.191 0.000 0.823 334 R CB -1.334 28.924 30.300 -0.070 0.000 1.285 334 R HN 0.278 nan 8.270 nan 0.000 0.499 335 R N 1.022 121.392 120.500 -0.216 0.000 2.393 335 R HA 0.179 4.519 4.340 -0.001 0.000 0.310 335 R C -0.289 175.903 176.300 -0.180 0.000 0.968 335 R CA -1.061 54.926 56.100 -0.188 0.000 0.867 335 R CB 1.017 31.137 30.300 -0.301 0.000 1.124 335 R HN -0.026 nan 8.270 nan 0.000 0.450 336 D N 2.057 122.349 120.400 -0.180 0.000 2.478 336 D HA -0.079 4.561 4.640 -0.001 0.000 0.234 336 D C 0.255 176.276 176.300 -0.465 0.000 1.154 336 D CA 0.965 54.639 54.000 -0.543 0.000 0.874 336 D CB 0.182 40.550 40.800 -0.721 0.000 1.198 336 D HN 0.420 nan 8.370 nan 0.000 0.455 337 F N -1.806 117.764 119.950 -0.634 0.000 2.965 337 F HA -0.246 4.281 4.527 -0.001 0.000 0.287 337 F C 0.772 176.175 175.800 -0.662 0.000 0.790 337 F CA 0.745 58.093 58.000 -1.087 0.000 1.279 337 F CB -2.645 36.004 39.000 -0.586 0.000 1.409 337 F HN 0.327 nan 8.300 nan 0.000 0.446 338 T N -2.271 112.104 114.554 -0.299 0.000 2.883 338 T HA 0.784 5.134 4.350 -0.001 0.000 0.301 338 T C -0.846 174.123 174.700 0.448 0.000 1.158 338 T CA -0.526 61.674 62.100 0.167 0.000 1.007 338 T CB 3.147 72.077 68.868 0.103 0.000 1.186 338 T HN 0.613 nan 8.240 nan 0.000 0.499 339 Y N -0.725 119.827 120.300 0.420 0.000 2.576 339 Y HA 0.729 5.279 4.550 -0.001 0.000 0.346 339 Y C -0.735 175.292 175.900 0.212 0.000 1.018 339 Y CA -1.374 56.950 58.100 0.374 0.000 1.050 339 Y CB 1.221 40.037 38.460 0.593 0.000 1.280 339 Y HN 0.610 nan 8.280 nan 0.000 0.474 340 D N 1.728 122.252 120.400 0.207 0.000 2.344 340 D HA 0.047 4.686 4.640 -0.001 0.000 0.253 340 D C 1.044 177.439 176.300 0.158 0.000 1.255 340 D CA 0.591 54.666 54.000 0.125 0.000 0.894 340 D CB 1.157 42.062 40.800 0.175 0.000 1.067 340 D HN 0.744 nan 8.370 nan 0.000 0.492 341 S N 2.146 117.832 115.700 -0.024 0.000 2.469 341 S HA -0.102 4.368 4.470 -0.001 0.000 0.238 341 S C 1.583 176.237 174.600 0.090 0.000 0.998 341 S CA 0.605 58.803 58.200 -0.004 0.000 0.957 341 S CB 0.090 63.248 63.200 -0.071 0.000 0.764 341 S HN 0.321 nan 8.310 nan 0.000 0.514 342 V N 1.694 121.659 119.914 0.085 0.000 2.502 342 V HA 0.051 4.170 4.120 -0.001 0.000 0.234 342 V C 2.158 178.296 176.094 0.073 0.000 1.072 342 V CA 1.300 63.640 62.300 0.066 0.000 1.094 342 V CB -0.699 31.148 31.823 0.039 0.000 0.761 342 V HN 0.307 nan 8.190 nan 0.000 0.489 343 D N -0.188 120.272 120.400 0.101 0.000 2.219 343 D HA -0.066 4.573 4.640 -0.001 0.000 0.205 343 D C 1.004 177.279 176.300 -0.042 0.000 0.970 343 D CA 1.358 55.393 54.000 0.059 0.000 0.851 343 D CB -0.044 40.837 40.800 0.135 0.000 0.943 343 D HN 0.435 nan 8.370 nan 0.000 0.488 344 F N 0.444 120.407 119.950 0.021 0.000 2.855 344 F HA 0.205 4.731 4.527 -0.001 0.000 0.317 344 F C 0.676 176.591 175.800 0.192 0.000 1.169 344 F CA -0.773 57.225 58.000 -0.003 0.000 1.299 344 F CB 0.157 39.087 39.000 -0.116 0.000 0.962 344 F HN -0.365 nan 8.300 nan 0.000 0.506 345 K N 0.554 121.095 120.400 0.236 0.000 2.472 345 K HA 0.318 4.638 4.320 -0.001 0.000 0.280 345 K C 1.236 177.949 176.600 0.188 0.000 1.028 345 K CA 1.251 57.679 56.287 0.235 0.000 1.045 345 K CB 0.078 32.650 32.500 0.120 0.000 0.902 345 K HN 0.539 nan 8.250 nan 0.000 0.478 346 G N 4.152 113.099 108.800 0.246 0.000 2.176 346 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.232 346 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.232 346 G C 0.387 175.424 174.900 0.229 0.000 0.986 346 G CA 0.038 45.244 45.100 0.176 0.000 0.643 346 G HN 0.650 nan 8.290 nan 0.000 0.522 347 F N 2.233 122.197 119.950 0.024 0.000 2.063 347 F HA -0.002 4.524 4.527 -0.001 0.000 0.298 347 F C 0.467 176.209 175.800 -0.095 0.000 1.109 347 F CA 1.929 59.883 58.000 -0.076 0.000 1.212 347 F CB -1.358 37.416 39.000 -0.376 0.000 0.973 347 F HN 0.269 nan 8.300 nan 0.000 0.480 348 P HA -0.168 nan 4.420 nan 0.000 0.216 348 P C 1.616 178.836 177.300 -0.133 0.000 1.150 348 P CA 1.743 64.711 63.100 -0.219 0.000 0.837 348 P CB -0.013 31.600 31.700 -0.145 0.000 0.786 349 E N -0.826 119.362 120.200 -0.020 0.000 2.106 349 E HA -0.168 4.181 4.350 -0.001 0.000 0.192 349 E C 1.717 178.314 176.600 -0.005 0.000 0.984 349 E CA 0.973 57.365 56.400 -0.012 0.000 0.806 349 E CB -1.237 28.482 29.700 0.031 0.000 0.750 349 E HN 0.180 nan 8.360 nan 0.000 0.458 350 F N 0.092 120.003 119.950 -0.065 0.000 2.171 350 F HA -0.157 4.370 4.527 -0.001 0.000 0.300 350 F C 1.909 177.601 175.800 -0.179 0.000 1.090 350 F CA 1.251 59.216 58.000 -0.059 0.000 1.293 350 F CB -0.270 38.777 39.000 0.077 0.000 1.013 350 F HN -0.075 nan 8.300 nan 0.000 0.486 351 V N 1.035 120.729 119.914 -0.366 0.000 2.407 351 V HA -0.316 3.804 4.120 -0.001 0.000 0.248 351 V C 2.193 177.850 176.094 -0.728 0.000 1.055 351 V CA 2.052 63.937 62.300 -0.691 0.000 1.049 351 V CB -0.937 30.480 31.823 -0.677 0.000 0.662 351 V HN 0.354 nan 8.190 nan 0.000 0.455 352 N N 0.284 118.734 118.700 -0.417 0.000 2.069 352 N HA -0.211 4.528 4.740 -0.001 0.000 0.191 352 N C 1.905 177.257 175.510 -0.263 0.000 1.031 352 N CA 1.792 54.685 53.050 -0.262 0.000 0.852 352 N CB -0.367 38.027 38.487 -0.154 0.000 1.018 352 N HN 0.682 nan 8.380 nan 0.000 0.423 353 E N 0.752 120.775 120.200 -0.295 0.000 2.058 353 E HA -0.137 4.212 4.350 -0.001 0.000 0.194 353 E C 2.052 178.436 176.600 -0.359 0.000 0.997 353 E CA 0.712 56.947 56.400 -0.274 0.000 0.801 353 E CB -0.138 29.424 29.700 -0.230 0.000 0.746 353 E HN 0.257 nan 8.360 nan 0.000 0.450 354 L N 0.040 120.910 121.223 -0.589 0.000 1.989 354 L HA -0.254 4.086 4.340 -0.001 0.000 0.211 354 L C 2.489 179.165 176.870 -0.323 0.000 1.071 354 L CA 1.976 56.479 54.840 -0.563 0.000 0.749 354 L CB -0.559 41.047 42.059 -0.755 0.000 0.890 354 L HN 0.388 nan 8.230 nan 0.000 0.431 355 H N -0.992 117.879 119.070 -0.332 0.000 2.353 355 H HA -0.144 4.411 4.556 -0.001 0.000 0.300 355 H C 1.988 177.185 175.328 -0.217 0.000 1.090 355 H CA 1.154 57.038 56.048 -0.273 0.000 1.327 355 H CB 0.134 29.745 29.762 -0.251 0.000 1.383 355 H HN 0.353 nan 8.280 nan 0.000 0.508 356 N N 0.781 119.439 118.700 -0.069 0.000 2.289 356 N HA -0.109 4.630 4.740 -0.001 0.000 0.184 356 N C 0.735 176.188 175.510 -0.094 0.000 1.016 356 N CA 0.888 53.889 53.050 -0.083 0.000 0.872 356 N CB -0.279 38.156 38.487 -0.086 0.000 0.973 356 N HN 0.471 nan 8.380 nan 0.000 0.433 357 N N -0.229 118.396 118.700 -0.125 0.000 2.434 357 N HA 0.114 4.854 4.740 -0.001 0.000 0.196 357 N C 0.748 176.184 175.510 -0.123 0.000 1.183 357 N CA 0.305 53.282 53.050 -0.122 0.000 0.849 357 N CB 0.301 38.697 38.487 -0.152 0.000 0.992 357 N HN 0.175 nan 8.380 nan 0.000 0.460 358 G N 0.540 109.269 108.800 -0.120 0.000 2.155 358 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.257 358 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.257 358 G C 0.026 174.827 174.900 -0.165 0.000 0.983 358 G CA 0.186 45.214 45.100 -0.121 0.000 0.676 358 G HN 0.371 nan 8.290 nan 0.000 0.528 359 Q N -0.736 118.938 119.800 -0.209 0.000 2.169 359 Q HA 0.721 5.061 4.340 -0.001 0.000 0.234 359 Q C 0.050 175.880 176.000 -0.283 0.000 0.980 359 Q CA -0.661 54.976 55.803 -0.277 0.000 0.941 359 Q CB 1.010 29.527 28.738 -0.369 0.000 1.199 359 Q HN 0.124 nan 8.270 nan 0.000 0.496 360 K N 0.773 120.958 120.400 -0.359 0.000 2.395 360 K HA 0.512 4.832 4.320 -0.001 0.000 0.247 360 K C -1.442 175.006 176.600 -0.254 0.000 0.973 360 K CA -0.948 55.082 56.287 -0.430 0.000 0.828 360 K CB 1.833 33.707 32.500 -1.043 0.000 1.272 360 K HN 0.353 nan 8.250 nan 0.000 0.439 361 L N 1.405 122.536 121.223 -0.154 0.000 2.333 361 L HA 0.425 4.764 4.340 -0.001 0.000 0.280 361 L C -1.307 175.598 176.870 0.059 0.000 1.004 361 L CA -0.641 54.182 54.840 -0.029 0.000 0.820 361 L CB 1.750 43.775 42.059 -0.056 0.000 1.247 361 L HN 0.297 nan 8.230 nan 0.000 0.416 362 V N 6.318 126.261 119.914 0.048 0.000 2.417 362 V HA 0.501 4.621 4.120 -0.001 0.000 0.291 362 V C 0.033 176.216 176.094 0.148 0.000 1.024 362 V CA -0.544 61.798 62.300 0.070 0.000 0.861 362 V CB 1.546 33.241 31.823 -0.214 0.000 0.985 362 V HN 0.732 nan 8.190 nan 0.000 0.436 363 I N 2.728 123.406 120.570 0.181 0.000 2.460 363 I HA 0.634 4.803 4.170 -0.001 0.000 0.298 363 I C -0.153 176.120 176.117 0.260 0.000 0.989 363 I CA -0.606 60.800 61.300 0.176 0.000 1.173 363 I CB 1.617 39.582 38.000 -0.059 0.000 1.338 363 I HN 0.513 nan 8.210 nan 0.000 0.456 364 I N 5.667 126.404 120.570 0.279 0.000 2.575 364 I HA 0.365 4.535 4.170 -0.001 0.000 0.285 364 I C -0.771 175.330 176.117 -0.027 0.000 1.085 364 I CA -0.175 61.072 61.300 -0.089 0.000 1.403 364 I CB 1.013 38.639 38.000 -0.624 0.000 1.409 364 I HN 0.456 nan 8.210 nan 0.000 0.557 365 V N 6.558 126.432 119.914 -0.065 0.000 2.668 365 V HA 0.362 4.482 4.120 -0.001 0.000 0.304 365 V C -0.829 175.305 176.094 0.066 0.000 1.071 365 V CA -0.923 61.353 62.300 -0.041 0.000 0.894 365 V CB 1.785 33.650 31.823 0.071 0.000 1.008 365 V HN 0.625 nan 8.190 nan 0.000 0.425 366 D N 6.052 126.481 120.400 0.048 0.000 2.229 366 D HA 0.385 5.025 4.640 -0.001 0.000 0.249 366 D C -1.588 174.889 176.300 0.296 0.000 1.027 366 D CA -1.470 52.618 54.000 0.146 0.000 0.923 366 D CB 2.495 43.370 40.800 0.125 0.000 1.174 366 D HN 0.250 nan 8.370 nan 0.000 0.443 367 P HA -0.016 nan 4.420 nan 0.000 0.220 367 P C 0.108 177.610 177.300 0.336 0.000 1.152 367 P CA 0.572 63.937 63.100 0.441 0.000 0.812 367 P CB 0.303 32.349 31.700 0.577 0.000 0.792 368 A N 1.085 123.985 122.820 0.134 0.000 2.409 368 A HA 0.409 4.729 4.320 -0.001 0.000 0.262 368 A C 0.188 177.718 177.584 -0.089 0.000 1.113 368 A CA -0.118 51.817 52.037 -0.170 0.000 0.790 368 A CB -0.346 18.396 19.000 -0.430 0.000 1.046 368 A HN -0.030 nan 8.150 nan 0.000 0.496 369 I N 2.416 122.906 120.570 -0.133 0.000 2.339 369 I HA 0.178 4.348 4.170 -0.001 0.000 0.290 369 I C 0.957 176.983 176.117 -0.151 0.000 0.994 369 I CA -0.117 61.220 61.300 0.061 0.000 1.191 369 I CB 1.099 39.290 38.000 0.318 0.000 1.343 369 I HN 0.672 nan 8.210 nan 0.000 0.458 370 S N 5.383 121.030 115.700 -0.089 0.000 2.626 370 S HA -0.075 4.395 4.470 -0.001 0.000 0.303 370 S C 1.217 175.576 174.600 -0.403 0.000 1.256 370 S CA -0.138 57.892 58.200 -0.284 0.000 1.069 370 S CB -0.076 62.856 63.200 -0.446 0.000 0.807 370 S HN 0.694 nan 8.310 nan 0.000 0.500 371 N N 4.224 122.525 118.700 -0.664 0.000 2.313 371 N HA -0.026 4.714 4.740 -0.001 0.000 0.207 371 N C -0.247 174.762 175.510 -0.835 0.000 1.141 371 N CA -0.140 52.142 53.050 -1.279 0.000 0.830 371 N CB -0.329 37.604 38.487 -0.923 0.000 1.008 371 N HN 0.455 nan 8.380 nan 0.000 0.481 372 N N 0.708 119.122 118.700 -0.476 0.000 2.555 372 N HA 0.073 4.813 4.740 -0.001 0.000 0.244 372 N C -1.430 174.005 175.510 -0.125 0.000 1.114 372 N CA 0.184 53.074 53.050 -0.266 0.000 0.963 372 N CB 0.327 38.676 38.487 -0.229 0.000 1.276 372 N HN 0.159 nan 8.380 nan 0.000 0.510 373 S N 1.157 116.832 115.700 -0.042 0.000 2.572 373 S HA 0.564 5.034 4.470 -0.001 0.000 0.274 373 S C -0.999 173.662 174.600 0.103 0.000 1.150 373 S CA -0.572 57.700 58.200 0.120 0.000 0.944 373 S CB 0.772 64.169 63.200 0.327 0.000 1.071 373 S HN 0.507 nan 8.310 nan 0.000 0.479 374 S N 2.683 118.437 115.700 0.088 0.000 2.667 374 S HA 0.559 5.028 4.470 -0.001 0.000 0.292 374 S C 0.830 175.474 174.600 0.073 0.000 1.126 374 S CA -0.680 57.562 58.200 0.069 0.000 0.881 374 S CB 1.295 64.519 63.200 0.039 0.000 1.132 374 S HN 0.530 nan 8.310 nan 0.000 0.492 375 S N 1.367 117.103 115.700 0.059 0.000 2.399 375 S HA -0.099 4.371 4.470 -0.001 0.000 0.231 375 S C 1.936 176.563 174.600 0.045 0.000 1.022 375 S CA 1.526 59.757 58.200 0.052 0.000 0.983 375 S CB -0.668 62.556 63.200 0.041 0.000 0.803 375 S HN 0.739 nan 8.310 nan 0.000 0.480 376 S N 2.102 117.825 115.700 0.038 0.000 2.343 376 S HA -0.054 4.416 4.470 -0.001 0.000 0.219 376 S C 0.770 175.393 174.600 0.039 0.000 1.033 376 S CA 0.994 59.214 58.200 0.032 0.000 1.014 376 S CB -0.229 62.986 63.200 0.024 0.000 0.915 376 S HN 0.492 nan 8.310 nan 0.000 0.435 377 K N 2.429 122.856 120.400 0.044 0.000 2.478 377 K HA 0.401 4.721 4.320 -0.001 0.000 0.236 377 K C -3.186 173.466 176.600 0.087 0.000 1.021 377 K CA -1.864 54.455 56.287 0.053 0.000 1.010 377 K CB 1.312 33.833 32.500 0.034 0.000 1.331 377 K HN 0.167 nan 8.250 nan 0.000 0.470 378 P HA 0.017 nan 4.420 nan 0.000 0.275 378 P C -1.208 176.226 177.300 0.224 0.000 1.227 378 P CA -0.276 62.910 63.100 0.144 0.000 0.781 378 P CB 0.297 32.061 31.700 0.107 0.000 0.906 379 Y N 2.303 122.671 120.300 0.114 0.000 2.575 379 Y HA 0.467 5.016 4.550 -0.001 0.000 0.326 379 Y C 1.378 177.397 175.900 0.197 0.000 0.979 379 Y CA -0.468 57.712 58.100 0.134 0.000 1.286 379 Y CB 0.393 38.919 38.460 0.111 0.000 1.093 379 Y HN 0.542 nan 8.280 nan 0.000 0.501 380 G N 5.550 114.284 108.800 -0.110 0.000 2.476 380 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.218 380 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.218 380 G C -0.862 173.965 174.900 -0.121 0.000 1.164 380 G CA 0.865 45.910 45.100 -0.092 0.000 0.768 380 G HN 0.556 nan 8.290 nan 0.000 0.560 381 P HA -0.140 nan 4.420 nan 0.000 0.216 381 P C 1.394 178.931 177.300 0.395 0.000 1.150 381 P CA 0.926 64.062 63.100 0.059 0.000 0.837 381 P CB -0.112 31.611 31.700 0.037 0.000 0.786 382 Y N 0.937 121.274 120.300 0.062 0.000 2.200 382 Y HA -0.169 4.381 4.550 -0.001 0.000 0.290 382 Y C 1.782 177.861 175.900 0.298 0.000 1.137 382 Y CA 1.650 59.941 58.100 0.318 0.000 1.163 382 Y CB -0.790 37.835 38.460 0.274 0.000 0.988 382 Y HN -0.124 nan 8.280 nan 0.000 0.518 383 D N -0.082 120.386 120.400 0.113 0.000 2.097 383 D HA -0.153 4.487 4.640 -0.001 0.000 0.195 383 D C 2.240 178.520 176.300 -0.033 0.000 0.989 383 D CA 1.473 55.472 54.000 -0.002 0.000 0.827 383 D CB -0.320 40.522 40.800 0.069 0.000 0.966 383 D HN 0.383 nan 8.370 nan 0.000 0.456 384 R N 0.338 120.870 120.500 0.052 0.000 2.092 384 R HA -0.020 4.320 4.340 -0.001 0.000 0.231 384 R C 2.411 178.686 176.300 -0.042 0.000 1.119 384 R CA 1.161 57.304 56.100 0.072 0.000 0.970 384 R CB -0.468 29.933 30.300 0.168 0.000 0.864 384 R HN 0.169 nan 8.270 nan 0.000 0.440 385 G N 0.111 108.814 108.800 -0.162 0.000 2.418 385 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.217 385 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.217 385 G C 1.403 175.714 174.900 -0.980 0.000 1.158 385 G CA 0.738 45.170 45.100 -1.115 0.000 0.771 385 G HN 0.229 nan 8.290 nan 0.000 0.545 386 S N 0.902 116.371 115.700 -0.384 0.000 2.402 386 S HA -0.066 4.403 4.470 -0.001 0.000 0.229 386 S C 1.914 176.367 174.600 -0.245 0.000 1.021 386 S CA 1.181 59.245 58.200 -0.226 0.000 0.974 386 S CB -0.188 62.870 63.200 -0.237 0.000 0.800 386 S HN 0.332 nan 8.310 nan 0.000 0.484 387 D N 1.618 121.888 120.400 -0.217 0.000 2.144 387 D HA -0.011 4.629 4.640 -0.001 0.000 0.199 387 D C 1.614 177.803 176.300 -0.187 0.000 0.984 387 D CA 1.024 54.933 54.000 -0.151 0.000 0.834 387 D CB -0.203 40.539 40.800 -0.096 0.000 0.955 387 D HN 0.404 nan 8.370 nan 0.000 0.465 388 M N -0.410 119.020 119.600 -0.284 0.000 2.558 388 M HA 0.037 4.517 4.480 -0.001 0.000 0.255 388 M C 0.070 176.157 176.300 -0.355 0.000 1.113 388 M CA 0.331 55.457 55.300 -0.290 0.000 1.097 388 M CB 0.154 32.584 32.600 -0.283 0.000 1.426 388 M HN -0.184 nan 8.290 nan 0.000 0.488 389 K N 0.886 121.025 120.400 -0.435 0.000 3.117 389 K HA -0.174 4.146 4.320 -0.001 0.000 0.269 389 K C 0.050 176.361 176.600 -0.482 0.000 1.098 389 K CA 0.304 56.363 56.287 -0.381 0.000 0.785 389 K CB -1.842 30.542 32.500 -0.194 0.000 1.242 389 K HN 0.431 nan 8.250 nan 0.000 0.491 390 I N -3.449 116.608 120.570 -0.855 0.000 3.891 390 I HA 0.209 4.379 4.170 -0.001 0.000 0.331 390 I C 0.231 175.908 176.117 -0.732 0.000 1.406 390 I CA -0.522 60.310 61.300 -0.780 0.000 1.139 390 I CB -0.229 37.297 38.000 -0.789 0.000 1.056 390 I HN 0.141 nan 8.210 nan 0.000 0.399 391 W N 0.115 121.246 121.300 -0.281 0.000 2.283 391 W HA 0.614 5.273 4.660 -0.001 0.000 0.341 391 W C 0.159 176.616 176.519 -0.104 0.000 1.206 391 W CA -1.457 55.768 57.345 -0.201 0.000 1.294 391 W CB 0.643 30.024 29.460 -0.132 0.000 1.154 391 W HN -0.308 nan 8.180 nan 0.000 0.613 392 V N 3.532 123.593 119.914 0.246 0.000 2.585 392 V HA -0.048 4.071 4.120 -0.001 0.000 0.296 392 V C 0.172 176.362 176.094 0.161 0.000 1.035 392 V CA -0.229 62.170 62.300 0.165 0.000 1.084 392 V CB -0.470 31.459 31.823 0.177 0.000 0.953 392 V HN 0.448 nan 8.190 nan 0.000 0.483 393 N N 2.624 121.387 118.700 0.105 0.000 2.492 393 N HA 0.400 5.140 4.740 -0.001 0.000 0.289 393 N C 0.090 175.635 175.510 0.058 0.000 1.133 393 N CA -0.396 52.705 53.050 0.085 0.000 0.961 393 N CB 1.468 39.994 38.487 0.065 0.000 1.186 393 N HN 0.640 nan 8.380 nan 0.000 0.493 394 S N -0.248 115.478 115.700 0.044 0.000 2.617 394 S HA 0.006 4.475 4.470 -0.001 0.000 0.255 394 S C 1.497 176.108 174.600 0.018 0.000 1.318 394 S CA -0.354 57.859 58.200 0.022 0.000 0.978 394 S CB 0.286 63.491 63.200 0.010 0.000 0.961 394 S HN 0.679 nan 8.310 nan 0.000 0.582 395 S N 1.102 116.805 115.700 0.006 0.000 2.440 395 S HA -0.181 4.288 4.470 -0.001 0.000 0.238 395 S C 1.214 175.818 174.600 0.008 0.000 1.010 395 S CA 1.409 59.612 58.200 0.005 0.000 0.972 395 S CB -0.700 62.496 63.200 -0.007 0.000 0.774 395 S HN 0.832 nan 8.310 nan 0.000 0.501 396 D N 1.301 121.706 120.400 0.008 0.000 2.351 396 D HA 0.087 4.727 4.640 -0.001 0.000 0.216 396 D C 1.580 177.889 176.300 0.015 0.000 0.968 396 D CA 0.864 54.870 54.000 0.009 0.000 0.899 396 D CB -1.226 39.578 40.800 0.007 0.000 0.907 396 D HN 0.641 nan 8.370 nan 0.000 0.514 397 G N -0.386 108.427 108.800 0.021 0.000 2.184 397 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.264 397 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.264 397 G C 0.994 175.910 174.900 0.027 0.000 0.975 397 G CA 1.426 46.541 45.100 0.026 0.000 0.642 397 G HN 1.046 nan 8.290 nan 0.000 0.536 398 V N -4.076 115.855 119.914 0.027 0.000 3.480 398 V HA 0.457 4.577 4.120 -0.001 0.000 0.263 398 V C 0.803 176.921 176.094 0.040 0.000 1.442 398 V CA 1.153 63.470 62.300 0.028 0.000 1.053 398 V CB 0.486 32.322 31.823 0.020 0.000 0.846 398 V HN 0.373 nan 8.190 nan 0.000 0.440 399 T N 3.703 118.281 114.554 0.040 0.000 2.744 399 T HA 0.523 4.873 4.350 -0.001 0.000 0.291 399 T C -2.760 171.979 174.700 0.065 0.000 0.957 399 T CA -1.213 60.916 62.100 0.048 0.000 1.002 399 T CB 1.220 70.106 68.868 0.030 0.000 0.919 399 T HN 0.217 nan 8.240 nan 0.000 0.468 400 P HA 0.035 nan 4.420 nan 0.000 0.262 400 P C -0.012 177.325 177.300 0.062 0.000 1.182 400 P CA -0.326 62.840 63.100 0.111 0.000 0.761 400 P CB 0.391 32.156 31.700 0.109 0.000 0.795 401 L N 4.837 126.116 121.223 0.093 0.000 2.455 401 L HA 0.171 4.510 4.340 -0.001 0.000 0.272 401 L C -0.191 176.747 176.870 0.113 0.000 1.174 401 L CA 0.006 54.900 54.840 0.091 0.000 0.869 401 L CB 0.026 42.138 42.059 0.089 0.000 1.130 401 L HN 0.212 nan 8.230 nan 0.000 0.474 402 I N 5.281 125.888 120.570 0.061 0.000 2.359 402 I HA 0.509 4.678 4.170 -0.001 0.000 0.294 402 I C 0.677 176.859 176.117 0.109 0.000 0.987 402 I CA -0.158 61.158 61.300 0.026 0.000 1.225 402 I CB 0.659 38.629 38.000 -0.050 0.000 1.366 402 I HN 0.717 nan 8.210 nan 0.000 0.466 403 G N 4.856 113.756 108.800 0.167 0.000 3.247 403 G HA2 0.575 4.535 3.960 -0.001 0.000 0.226 403 G HA3 0.575 4.535 3.960 -0.001 0.000 0.226 403 G C -1.318 173.584 174.900 0.003 0.000 1.220 403 G CA -0.290 44.926 45.100 0.194 0.000 0.875 403 G HN 0.544 nan 8.290 nan 0.000 0.606 404 E N -0.884 119.308 120.200 -0.013 0.000 2.291 404 E HA 0.527 4.877 4.350 -0.001 0.000 0.276 404 E C -1.136 175.209 176.600 -0.424 0.000 0.896 404 E CA -0.496 55.818 56.400 -0.142 0.000 0.774 404 E CB 2.272 31.970 29.700 -0.004 0.000 1.227 404 E HN 0.296 nan 8.360 nan 0.000 0.413 405 V N 2.637 122.154 119.914 -0.661 0.000 4.504 405 V HA 0.319 4.439 4.120 -0.001 0.000 0.298 405 V C 0.712 176.325 176.094 -0.802 0.000 1.446 405 V CA -0.823 60.622 62.300 -1.424 0.000 0.890 405 V CB 0.002 31.197 31.823 -1.047 0.000 1.281 405 V HN 0.882 nan 8.190 nan 0.000 0.461 406 W N 0.986 122.060 121.300 -0.376 0.000 2.338 406 W HA -0.040 4.620 4.660 -0.000 0.000 0.304 406 W C -0.468 176.014 176.519 -0.061 0.000 1.212 406 W CA 1.786 59.110 57.345 -0.036 0.000 1.264 406 W CB -1.427 28.004 29.460 -0.049 0.000 1.142 406 W HN 0.485 nan 8.180 nan 0.000 0.512 407 P HA 0.201 nan 4.420 nan 0.000 0.241 407 P C 0.746 178.001 177.300 -0.074 0.000 1.191 407 P CA 1.926 65.001 63.100 -0.041 0.000 0.771 407 P CB 0.509 32.120 31.700 -0.149 0.000 0.929 408 G N -0.438 108.318 108.800 -0.074 0.000 2.337 408 G HA2 -0.121 3.839 3.960 -0.001 0.000 0.197 408 G HA3 -0.121 3.839 3.960 -0.001 0.000 0.197 408 G C -1.298 173.509 174.900 -0.155 0.000 1.238 408 G CA -0.840 44.208 45.100 -0.086 0.000 1.119 408 G HN 0.165 nan 8.290 nan 0.000 0.514 409 Q N 0.872 120.577 119.800 -0.159 0.000 2.330 409 Q HA 0.458 4.798 4.340 -0.001 0.000 0.279 409 Q C 0.355 176.174 176.000 -0.302 0.000 1.024 409 Q CA 1.137 56.821 55.803 -0.198 0.000 0.900 409 Q CB 0.791 29.430 28.738 -0.164 0.000 1.221 409 Q HN 0.999 nan 8.270 nan 0.000 0.396 410 T N -2.281 112.052 114.554 -0.369 0.000 2.868 410 T HA 0.635 4.985 4.350 -0.001 0.000 0.306 410 T C -0.203 174.097 174.700 -0.668 0.000 1.224 410 T CA -0.940 60.831 62.100 -0.548 0.000 1.012 410 T CB 1.233 69.693 68.868 -0.680 0.000 1.221 410 T HN 0.423 nan 8.240 nan 0.000 0.499 411 V N -0.924 118.525 119.914 -0.774 0.000 3.093 411 V HA 0.921 5.040 4.120 -0.001 0.000 0.320 411 V C -1.135 174.450 176.094 -0.848 0.000 1.093 411 V CA -1.306 60.535 62.300 -0.765 0.000 1.016 411 V CB 0.994 32.182 31.823 -1.057 0.000 1.096 411 V HN 0.864 nan 8.190 nan 0.000 0.452 412 F N 0.629 120.517 119.950 -0.104 0.000 2.518 412 F HA 0.678 5.205 4.527 -0.001 0.000 0.323 412 F C -2.513 173.416 175.800 0.214 0.000 1.129 412 F CA -2.466 55.580 58.000 0.077 0.000 0.920 412 F CB 2.060 41.084 39.000 0.040 0.000 1.160 412 F HN 0.319 nan 8.300 nan 0.000 0.440 413 P HA 0.012 nan 4.420 nan 0.000 0.268 413 P C -0.685 176.395 177.300 -0.366 0.000 1.205 413 P CA -0.062 62.897 63.100 -0.235 0.000 0.771 413 P CB 0.726 31.979 31.700 -0.744 0.000 0.858 414 D N 1.823 121.989 120.400 -0.390 0.000 2.500 414 D HA 0.087 4.727 4.640 -0.001 0.000 0.219 414 D C 0.047 176.055 176.300 -0.487 0.000 1.137 414 D CA -0.409 53.396 54.000 -0.325 0.000 0.946 414 D CB -0.386 40.302 40.800 -0.187 0.000 1.022 414 D HN 0.221 nan 8.370 nan 0.000 0.518 415 Y N 1.097 121.117 120.300 -0.467 0.000 2.616 415 Y HA -0.078 4.472 4.550 -0.001 0.000 0.296 415 Y C 2.597 178.131 175.900 -0.610 0.000 1.154 415 Y CA 1.095 58.882 58.100 -0.523 0.000 1.325 415 Y CB -0.300 37.780 38.460 -0.634 0.000 1.007 415 Y HN 0.433 nan 8.280 nan 0.000 0.542 416 T N -2.665 111.519 114.554 -0.617 0.000 3.023 416 T HA -0.087 4.262 4.350 -0.001 0.000 0.266 416 T C 0.855 175.153 174.700 -0.670 0.000 1.093 416 T CA 0.240 61.704 62.100 -1.061 0.000 1.129 416 T CB -0.331 67.645 68.868 -1.486 0.000 0.899 416 T HN 0.084 nan 8.240 nan 0.000 0.491 417 N N 3.062 121.480 118.700 -0.469 0.000 2.411 417 N HA 0.175 4.915 4.740 -0.001 0.000 0.259 417 N C -1.559 173.733 175.510 -0.362 0.000 1.103 417 N CA -2.270 50.478 53.050 -0.504 0.000 0.954 417 N CB 1.776 40.039 38.487 -0.373 0.000 1.085 417 N HN 0.091 nan 8.380 nan 0.000 0.485 418 P HA -0.136 nan 4.420 nan 0.000 0.222 418 P C 0.799 178.030 177.300 -0.114 0.000 1.147 418 P CA 1.004 64.006 63.100 -0.163 0.000 0.790 418 P CB 0.337 31.970 31.700 -0.112 0.000 0.780 419 N N -0.684 117.924 118.700 -0.153 0.000 2.453 419 N HA -0.109 4.631 4.740 -0.001 0.000 0.183 419 N C 1.756 177.227 175.510 -0.066 0.000 1.041 419 N CA 0.366 53.353 53.050 -0.104 0.000 0.900 419 N CB -0.139 38.267 38.487 -0.135 0.000 0.961 419 N HN 0.128 nan 8.380 nan 0.000 0.443 420 C N 0.530 119.767 119.300 -0.106 0.000 2.466 420 C HA 0.110 4.570 4.460 -0.001 0.000 0.278 420 C C 2.888 178.003 174.990 0.208 0.000 1.288 420 C CA 1.036 60.038 59.018 -0.027 0.000 1.722 420 C CB -1.156 26.455 27.740 -0.215 0.000 2.017 420 C HN 0.518 nan 8.230 nan 0.000 0.488 421 A N 0.144 123.045 122.820 0.135 0.000 1.940 421 A HA -0.103 4.216 4.320 -0.001 0.000 0.219 421 A C 2.289 180.002 177.584 0.215 0.000 1.176 421 A CA 2.377 54.548 52.037 0.223 0.000 0.631 421 A CB -0.879 18.183 19.000 0.104 0.000 0.814 421 A HN 0.473 nan 8.150 nan 0.000 0.446 422 V N -1.750 118.240 119.914 0.127 0.000 2.233 422 V HA -0.306 3.814 4.120 -0.001 0.000 0.247 422 V C 2.205 178.371 176.094 0.119 0.000 1.050 422 V CA 2.168 64.521 62.300 0.090 0.000 1.010 422 V CB -1.205 30.644 31.823 0.043 0.000 0.637 422 V HN 0.908 nan 8.190 nan 0.000 0.444 423 W N -0.235 121.056 121.300 -0.016 0.000 2.317 423 W HA -0.265 4.395 4.660 -0.000 0.000 0.318 423 W C 2.572 179.143 176.519 0.086 0.000 1.227 423 W CA 2.064 59.391 57.345 -0.029 0.000 1.269 423 W CB -0.557 28.827 29.460 -0.127 0.000 1.155 423 W HN 0.411 nan 8.180 nan 0.000 0.484 424 W N 1.031 122.178 121.300 -0.255 0.000 2.355 424 W HA -0.241 4.419 4.660 -0.000 0.000 0.309 424 W C 2.067 178.463 176.519 -0.205 0.000 1.206 424 W CA 2.197 59.287 57.345 -0.425 0.000 1.284 424 W CB -0.654 28.914 29.460 0.179 0.000 1.145 424 W HN -0.202 nan 8.180 nan 0.000 0.502 425 T N 0.894 115.488 114.554 0.066 0.000 2.665 425 T HA -0.298 4.051 4.350 -0.001 0.000 0.268 425 T C 1.602 176.217 174.700 -0.142 0.000 1.035 425 T CA 2.235 64.328 62.100 -0.013 0.000 1.151 425 T CB -0.433 68.448 68.868 0.021 0.000 0.862 425 T HN -0.058 nan 8.240 nan 0.000 0.438 426 K N 1.076 121.350 120.400 -0.209 0.000 2.097 426 K HA -0.075 4.244 4.320 -0.001 0.000 0.206 426 K C 2.258 178.610 176.600 -0.412 0.000 1.049 426 K CA 1.090 57.231 56.287 -0.243 0.000 0.933 426 K CB -0.165 32.218 32.500 -0.194 0.000 0.717 426 K HN 0.175 nan 8.250 nan 0.000 0.442 427 E N -0.371 119.375 120.200 -0.757 0.000 2.077 427 E HA -0.161 4.189 4.350 -0.001 0.000 0.193 427 E C 1.972 177.913 176.600 -1.098 0.000 0.989 427 E CA 1.100 56.750 56.400 -1.251 0.000 0.800 427 E CB -0.324 28.066 29.700 -2.183 0.000 0.746 427 E HN 0.306 nan 8.360 nan 0.000 0.452 428 F N 1.689 121.224 119.950 -0.692 0.000 2.146 428 F HA -0.098 4.429 4.527 -0.001 0.000 0.298 428 F C 2.447 178.235 175.800 -0.020 0.000 1.096 428 F CA 1.051 58.936 58.000 -0.192 0.000 1.275 428 F CB -0.314 38.577 39.000 -0.181 0.000 1.008 428 F HN 0.031 nan 8.300 nan 0.000 0.480 429 E N 0.356 120.564 120.200 0.013 0.000 2.033 429 E HA -0.245 4.104 4.350 -0.001 0.000 0.199 429 E C 2.329 178.935 176.600 0.009 0.000 1.011 429 E CA 1.680 58.058 56.400 -0.037 0.000 0.815 429 E CB -0.516 29.130 29.700 -0.091 0.000 0.755 429 E HN 0.366 nan 8.360 nan 0.000 0.451 430 L N -0.093 121.105 121.223 -0.041 0.000 2.012 430 L HA -0.207 4.133 4.340 -0.001 0.000 0.210 430 L C 2.527 179.490 176.870 0.155 0.000 1.073 430 L CA 1.031 55.875 54.840 0.007 0.000 0.748 430 L CB -0.456 41.565 42.059 -0.063 0.000 0.891 430 L HN 0.136 nan 8.230 nan 0.000 0.431 431 F N -0.249 119.725 119.950 0.039 0.000 2.234 431 F HA -0.196 4.331 4.527 -0.000 0.000 0.299 431 F C 2.699 178.680 175.800 0.302 0.000 1.087 431 F CA 1.406 59.542 58.000 0.227 0.000 1.340 431 F CB -0.530 38.688 39.000 0.364 0.000 1.031 431 F HN 0.140 nan 8.300 nan 0.000 0.500 432 H N 0.118 119.273 119.070 0.140 0.000 2.423 432 H HA -0.116 4.440 4.556 -0.001 0.000 0.297 432 H C 1.572 176.748 175.328 -0.254 0.000 1.075 432 H CA 1.339 57.239 56.048 -0.246 0.000 1.342 432 H CB -0.046 29.432 29.762 -0.473 0.000 1.395 432 H HN 0.214 nan 8.280 nan 0.000 0.530 433 N N 0.775 119.423 118.700 -0.086 0.000 2.272 433 N HA -0.135 4.605 4.740 -0.001 0.000 0.185 433 N C 1.837 177.264 175.510 -0.139 0.000 1.014 433 N CA 1.027 54.015 53.050 -0.103 0.000 0.870 433 N CB -0.136 38.337 38.487 -0.023 0.000 0.975 433 N HN 0.650 nan 8.380 nan 0.000 0.433 434 Q N -0.372 119.338 119.800 -0.150 0.000 2.178 434 Q HA 0.167 4.506 4.340 -0.001 0.000 0.195 434 Q C -0.104 175.695 176.000 -0.336 0.000 0.960 434 Q CA 0.611 56.340 55.803 -0.124 0.000 0.843 434 Q CB 0.766 29.550 28.738 0.076 0.000 0.927 434 Q HN 0.015 nan 8.270 nan 0.000 0.487 435 V N 2.185 121.749 119.914 -0.583 0.000 2.376 435 V HA 0.159 4.279 4.120 -0.001 0.000 0.287 435 V C -0.712 174.982 176.094 -0.666 0.000 1.015 435 V CA -0.441 61.437 62.300 -0.703 0.000 0.834 435 V CB 1.530 32.811 31.823 -0.903 0.000 1.001 435 V HN 0.192 nan 8.190 nan 0.000 0.428 436 E N 5.101 124.894 120.200 -0.679 0.000 1.972 436 E HA 0.197 4.546 4.350 -0.001 0.000 0.292 436 E C -0.178 176.192 176.600 -0.384 0.000 1.193 436 E CA -0.256 55.636 56.400 -0.845 0.000 1.228 436 E CB 0.034 29.421 29.700 -0.522 0.000 1.167 436 E HN 0.672 nan 8.360 nan 0.000 0.479 437 F N -0.705 119.175 119.950 -0.116 0.000 2.485 437 F HA 0.178 4.705 4.527 -0.000 0.000 0.327 437 F C 0.825 176.849 175.800 0.374 0.000 1.203 437 F CA -0.399 57.659 58.000 0.097 0.000 1.295 437 F CB 0.670 39.752 39.000 0.136 0.000 1.191 437 F HN -0.010 nan 8.300 nan 0.000 0.588 438 D N 0.011 120.634 120.400 0.372 0.000 2.454 438 D HA 0.257 4.897 4.640 -0.001 0.000 0.219 438 D C 0.669 176.950 176.300 -0.033 0.000 1.081 438 D CA 0.572 54.609 54.000 0.062 0.000 0.867 438 D CB 1.195 41.842 40.800 -0.254 0.000 1.054 438 D HN 0.759 nan 8.370 nan 0.000 0.500 439 G N 0.267 109.273 108.800 0.344 0.000 2.682 439 G HA2 0.642 4.601 3.960 -0.001 0.000 0.290 439 G HA3 0.642 4.601 3.960 -0.001 0.000 0.290 439 G C -1.686 173.453 174.900 0.397 0.000 1.425 439 G CA -0.602 44.726 45.100 0.379 0.000 0.807 439 G HN -0.019 nan 8.290 nan 0.000 0.482 440 I N -0.116 120.628 120.570 0.291 0.000 2.534 440 I HA 0.348 4.517 4.170 -0.001 0.000 0.288 440 I C -1.518 174.739 176.117 0.233 0.000 1.077 440 I CA -0.532 60.891 61.300 0.205 0.000 1.051 440 I CB 2.661 40.705 38.000 0.074 0.000 1.234 440 I HN 0.545 nan 8.210 nan 0.000 0.425 441 W N 9.471 130.804 121.300 0.056 0.000 2.278 441 W HA 0.611 5.270 4.660 -0.001 0.000 0.317 441 W C -0.944 175.630 176.519 0.091 0.000 1.030 441 W CA -1.865 55.493 57.345 0.022 0.000 1.334 441 W CB 0.719 30.184 29.460 0.008 0.000 1.215 441 W HN 0.330 nan 8.180 nan 0.000 0.405 442 I N 3.782 124.551 120.570 0.331 0.000 2.315 442 I HA 0.531 4.700 4.170 -0.001 0.000 0.291 442 I C -0.478 175.802 176.117 0.271 0.000 1.006 442 I CA -0.308 61.135 61.300 0.238 0.000 1.265 442 I CB 1.399 39.544 38.000 0.243 0.000 1.387 442 I HN 0.230 nan 8.210 nan 0.000 0.475 443 D N 5.425 125.911 120.400 0.143 0.000 2.566 443 D HA 0.514 5.154 4.640 -0.001 0.000 0.254 443 D C 0.331 176.741 176.300 0.182 0.000 1.090 443 D CA -0.308 53.812 54.000 0.201 0.000 1.034 443 D CB 1.410 42.201 40.800 -0.015 0.000 1.434 443 D HN 0.648 nan 8.370 nan 0.000 0.509 444 M N 0.576 120.291 119.600 0.192 0.000 2.682 444 M HA -0.221 4.258 4.480 -0.001 0.000 0.196 444 M C -0.216 176.149 176.300 0.107 0.000 0.542 444 M CA 0.511 55.902 55.300 0.152 0.000 0.593 444 M CB -2.785 29.897 32.600 0.137 0.000 2.183 444 M HN 0.560 nan 8.290 nan 0.000 0.663 445 N N -0.480 118.299 118.700 0.132 0.000 2.380 445 N HA 0.271 5.010 4.740 -0.001 0.000 0.255 445 N C 0.644 176.200 175.510 0.076 0.000 1.158 445 N CA -0.095 53.046 53.050 0.151 0.000 0.878 445 N CB 0.220 38.864 38.487 0.261 0.000 1.138 445 N HN 0.252 nan 8.380 nan 0.000 0.509 446 E N -0.167 120.023 120.200 -0.017 0.000 2.106 446 E HA -0.023 4.326 4.350 -0.001 0.000 0.192 446 E C 0.368 176.725 176.600 -0.404 0.000 0.984 446 E CA 0.514 56.844 56.400 -0.116 0.000 0.806 446 E CB 0.140 29.830 29.700 -0.016 0.000 0.750 446 E HN 0.266 nan 8.360 nan 0.000 0.458 447 V N 0.184 119.792 119.914 -0.509 0.000 2.686 447 V HA 0.230 4.350 4.120 -0.001 0.000 0.295 447 V C -0.126 175.840 176.094 -0.213 0.000 1.057 447 V CA -0.420 61.596 62.300 -0.474 0.000 1.012 447 V CB 1.782 32.986 31.823 -1.032 0.000 1.006 447 V HN 0.107 nan 8.190 nan 0.000 0.477 448 S N 5.374 121.019 115.700 -0.090 0.000 2.475 448 S HA 0.406 4.876 4.470 -0.001 0.000 0.281 448 S C -0.395 174.183 174.600 -0.036 0.000 1.198 448 S CA -0.531 57.666 58.200 -0.004 0.000 1.063 448 S CB 0.146 63.385 63.200 0.065 0.000 0.972 448 S HN 0.843 nan 8.310 nan 0.000 0.486 449 N N 3.761 122.471 118.700 0.017 0.000 2.284 449 N HA 0.407 5.146 4.740 -0.001 0.000 0.300 449 N C -0.014 175.615 175.510 0.199 0.000 1.047 449 N CA -0.833 52.237 53.050 0.033 0.000 0.821 449 N CB 0.674 39.158 38.487 -0.005 0.000 1.337 449 N HN 0.465 nan 8.380 nan 0.000 0.482 450 F N 0.684 120.602 119.950 -0.052 0.000 2.456 450 F HA 0.042 4.569 4.527 -0.001 0.000 0.298 450 F C 1.136 176.922 175.800 -0.024 0.000 1.104 450 F CA 0.136 58.093 58.000 -0.071 0.000 1.435 450 F CB -0.653 38.275 39.000 -0.121 0.000 1.078 450 F HN 0.258 nan 8.300 nan 0.000 0.546 451 V N -2.232 117.788 119.914 0.178 0.000 2.966 451 V HA 0.445 4.565 4.120 -0.001 0.000 0.317 451 V C -0.257 175.902 176.094 0.108 0.000 1.070 451 V CA -1.188 61.178 62.300 0.111 0.000 1.008 451 V CB 1.504 33.372 31.823 0.075 0.000 1.070 451 V HN -0.190 nan 8.190 nan 0.000 0.457 452 D N 1.901 122.369 120.400 0.113 0.000 2.352 452 D HA 0.501 5.141 4.640 -0.001 0.000 0.245 452 D C 1.107 177.506 176.300 0.165 0.000 1.224 452 D CA 1.449 55.566 54.000 0.196 0.000 0.879 452 D CB 0.746 41.700 40.800 0.256 0.000 1.057 452 D HN 1.231 nan 8.370 nan 0.000 0.491 453 G N 2.788 111.679 108.800 0.152 0.000 4.526 453 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.217 453 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.217 453 G C 0.423 175.306 174.900 -0.028 0.000 1.428 453 G CA 0.658 45.778 45.100 0.033 0.000 0.928 453 G HN 1.148 nan 8.290 nan 0.000 0.639 454 S N -1.998 113.685 115.700 -0.027 0.000 2.661 454 S HA 0.596 5.066 4.470 -0.001 0.000 0.268 454 S C 1.101 175.698 174.600 -0.005 0.000 1.162 454 S CA 0.531 58.726 58.200 -0.008 0.000 0.817 454 S CB 1.065 64.250 63.200 -0.025 0.000 1.141 454 S HN 1.876 nan 8.310 nan 0.000 0.477 455 V N 0.060 119.974 119.914 0.000 0.000 2.759 455 V HA 0.093 4.212 4.120 -0.001 0.000 0.256 455 V C 1.456 177.537 176.094 -0.022 0.000 1.080 455 V CA 1.890 64.185 62.300 -0.008 0.000 1.101 455 V CB -1.302 30.512 31.823 -0.015 0.000 0.698 455 V HN 1.142 nan 8.190 nan 0.000 0.477 456 S N -0.552 115.127 115.700 -0.035 0.000 2.583 456 S HA 0.590 5.060 4.470 -0.001 0.000 0.239 456 S C 1.130 175.685 174.600 -0.075 0.000 0.966 456 S CA 0.237 58.409 58.200 -0.047 0.000 0.973 456 S CB -0.243 62.932 63.200 -0.043 0.000 0.794 456 S HN 1.625 nan 8.310 nan 0.000 0.463 457 G N 0.810 109.559 108.800 -0.086 0.000 2.575 457 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.267 457 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.267 457 G C -0.305 174.449 174.900 -0.244 0.000 1.264 457 G CA -0.207 44.799 45.100 -0.157 0.000 0.935 457 G HN 0.922 nan 8.290 nan 0.000 0.568 458 C N -0.214 118.844 119.300 -0.403 0.000 2.482 458 C HA 0.707 5.166 4.460 -0.001 0.000 0.317 458 C C 0.654 175.454 174.990 -0.316 0.000 1.197 458 C CA -0.088 58.667 59.018 -0.438 0.000 1.432 458 C CB 1.098 28.328 27.740 -0.849 0.000 2.062 458 C HN 0.986 nan 8.230 nan 0.000 0.471 459 S N 1.897 117.482 115.700 -0.191 0.000 2.558 459 S HA 0.100 4.569 4.470 -0.001 0.000 0.288 459 S C 0.407 174.944 174.600 -0.105 0.000 1.318 459 S CA 0.115 58.242 58.200 -0.121 0.000 1.056 459 S CB 0.151 63.304 63.200 -0.079 0.000 0.853 459 S HN 0.807 nan 8.310 nan 0.000 0.505 460 T N 4.960 119.478 114.554 -0.059 0.000 2.799 460 T HA 0.369 4.719 4.350 -0.001 0.000 0.296 460 T C 0.289 174.986 174.700 -0.005 0.000 0.947 460 T CA -0.231 61.862 62.100 -0.011 0.000 1.141 460 T CB -0.554 68.319 68.868 0.009 0.000 0.891 460 T HN 0.858 nan 8.240 nan 0.000 0.533 461 N N 1.618 120.324 118.700 0.011 0.000 3.356 461 N HA 0.115 4.855 4.740 -0.001 0.000 0.246 461 N C 0.267 175.782 175.510 0.008 0.000 1.480 461 N CA -0.926 52.125 53.050 0.001 0.000 0.877 461 N CB 0.177 38.651 38.487 -0.021 0.000 1.431 461 N HN 0.267 nan 8.380 nan 0.000 0.500 462 N N -0.169 118.519 118.700 -0.020 0.000 2.512 462 N HA -0.035 4.704 4.740 -0.001 0.000 0.183 462 N C 0.651 176.101 175.510 -0.100 0.000 1.073 462 N CA 0.773 53.804 53.050 -0.031 0.000 0.911 462 N CB -0.100 38.362 38.487 -0.040 0.000 0.964 462 N HN 0.613 nan 8.380 nan 0.000 0.447 463 L N 0.317 121.458 121.223 -0.137 0.000 2.130 463 L HA 0.063 4.403 4.340 -0.001 0.000 0.200 463 L C 1.746 178.690 176.870 0.124 0.000 1.075 463 L CA 0.956 55.678 54.840 -0.196 0.000 0.768 463 L CB -0.626 41.315 42.059 -0.197 0.000 0.933 463 L HN 0.082 nan 8.230 nan 0.000 0.451 464 N N -0.021 118.753 118.700 0.123 0.000 2.309 464 N HA -0.078 4.662 4.740 -0.001 0.000 0.182 464 N C 0.111 175.825 175.510 0.341 0.000 1.018 464 N CA 0.687 53.888 53.050 0.253 0.000 0.876 464 N CB 0.141 38.667 38.487 0.065 0.000 0.972 464 N HN 0.306 nan 8.380 nan 0.000 0.434 465 N N 0.764 119.588 118.700 0.207 0.000 2.790 465 N HA 0.198 4.937 4.740 -0.001 0.000 0.256 465 N C -2.872 172.705 175.510 0.111 0.000 1.409 465 N CA -0.737 52.423 53.050 0.183 0.000 0.799 465 N CB 1.817 40.413 38.487 0.182 0.000 1.170 465 N HN 0.144 nan 8.380 nan 0.000 0.507 466 P HA 0.315 nan 4.420 nan 0.000 0.276 466 P C -1.905 175.463 177.300 0.113 0.000 1.252 466 P CA -0.897 62.275 63.100 0.120 0.000 0.802 466 P CB 1.148 32.967 31.700 0.198 0.000 1.035 467 P HA -0.046 nan 4.420 nan 0.000 0.216 467 P C 0.005 177.440 177.300 0.225 0.000 1.150 467 P CA 1.444 64.683 63.100 0.231 0.000 0.843 467 P CB -0.028 31.865 31.700 0.322 0.000 0.787 468 F N -0.734 119.181 119.950 -0.058 0.000 2.557 468 F HA 0.446 4.972 4.527 -0.001 0.000 0.316 468 F C -1.077 174.637 175.800 -0.143 0.000 1.141 468 F CA -0.603 57.233 58.000 -0.274 0.000 0.922 468 F CB 1.525 40.111 39.000 -0.688 0.000 1.194 468 F HN -0.437 nan 8.300 nan 0.000 0.443 469 T N 7.239 121.226 114.554 -0.944 0.000 2.786 469 T HA 0.445 4.795 4.350 -0.001 0.000 0.283 469 T C -2.634 171.401 174.700 -1.108 0.000 0.992 469 T CA -1.342 60.303 62.100 -0.757 0.000 0.954 469 T CB 1.514 70.066 68.868 -0.527 0.000 0.934 469 T HN 0.296 nan 8.240 nan 0.000 0.440 470 P HA 0.128 nan 4.420 nan 0.000 0.271 470 P C 0.219 177.319 177.300 -0.333 0.000 1.238 470 P CA -0.605 62.269 63.100 -0.375 0.000 0.794 470 P CB 0.436 32.073 31.700 -0.105 0.000 0.959 471 R N 1.594 121.980 120.500 -0.190 0.000 4.779 471 R HA 0.201 4.541 4.340 -0.001 0.000 0.217 471 R C 0.428 176.657 176.300 -0.118 0.000 1.934 471 R CA -0.222 55.776 56.100 -0.169 0.000 1.623 471 R CB -1.391 28.833 30.300 -0.126 0.000 1.364 471 R HN 0.430 nan 8.270 nan 0.000 0.799 472 I N -1.796 118.693 120.570 -0.135 0.000 2.754 472 I HA 0.090 4.260 4.170 -0.001 0.000 0.285 472 I C 0.324 176.403 176.117 -0.063 0.000 1.166 472 I CA -0.969 60.294 61.300 -0.062 0.000 1.417 472 I CB 0.378 38.323 38.000 -0.092 0.000 1.382 472 I HN 0.091 nan 8.210 nan 0.000 0.588 473 L N 6.833 128.054 121.223 -0.004 0.000 2.640 473 L HA -0.063 4.276 4.340 -0.001 0.000 0.280 473 L C 0.413 177.270 176.870 -0.023 0.000 1.229 473 L CA 1.319 56.155 54.840 -0.006 0.000 0.919 473 L CB -0.861 41.213 42.059 0.025 0.000 1.168 473 L HN 0.894 nan 8.230 nan 0.000 0.496 474 D N 2.737 123.117 120.400 -0.033 0.000 2.792 474 D HA -0.224 4.416 4.640 -0.001 0.000 0.192 474 D C 1.119 177.377 176.300 -0.069 0.000 1.007 474 D CA 1.363 55.354 54.000 -0.015 0.000 1.020 474 D CB -1.371 39.446 40.800 0.028 0.000 1.089 474 D HN 1.255 nan 8.370 nan 0.000 0.438 475 G N -0.279 108.410 108.800 -0.185 0.000 2.184 475 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.264 475 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.264 475 G C -0.047 174.469 174.900 -0.640 0.000 0.975 475 G CA 0.841 45.708 45.100 -0.390 0.000 0.642 475 G HN 0.480 nan 8.290 nan 0.000 0.536 476 Y N -1.011 119.082 120.300 -0.345 0.000 2.425 476 Y HA 0.579 5.129 4.550 -0.001 0.000 0.344 476 Y C 1.519 177.097 175.900 -0.537 0.000 0.969 476 Y CA -1.072 56.709 58.100 -0.532 0.000 1.052 476 Y CB 1.400 39.294 38.460 -0.943 0.000 1.215 476 Y HN -0.072 nan 8.280 nan 0.000 0.451 477 L N 1.718 122.750 121.223 -0.320 0.000 2.079 477 L HA -0.247 4.092 4.340 -0.001 0.000 0.210 477 L C 1.707 178.564 176.870 -0.021 0.000 1.081 477 L CA 1.828 56.498 54.840 -0.283 0.000 0.752 477 L CB -0.422 41.474 42.059 -0.272 0.000 0.896 477 L HN 0.749 nan 8.230 nan 0.000 0.433 478 F N -2.462 117.540 119.950 0.087 0.000 2.797 478 F HA 0.212 4.739 4.527 -0.001 0.000 0.302 478 F C 1.126 176.964 175.800 0.064 0.000 1.130 478 F CA -1.572 56.471 58.000 0.071 0.000 1.387 478 F CB -1.770 37.252 39.000 0.036 0.000 1.107 478 F HN -0.152 nan 8.300 nan 0.000 0.577 479 C N 4.559 123.764 119.300 -0.159 0.000 2.592 479 C HA 0.024 4.483 4.460 -0.001 0.000 0.408 479 C C 1.131 176.164 174.990 0.072 0.000 1.436 479 C CA -0.491 58.502 59.018 -0.042 0.000 1.595 479 C CB -1.043 26.659 27.740 -0.063 0.000 2.487 479 C HN 0.526 nan 8.230 nan 0.000 0.610 480 K N 1.539 121.997 120.400 0.098 0.000 3.035 480 K HA -0.195 4.124 4.320 -0.001 0.000 0.262 480 K C 0.114 176.771 176.600 0.094 0.000 1.024 480 K CA 1.392 57.743 56.287 0.107 0.000 0.748 480 K CB -1.811 30.751 32.500 0.103 0.000 1.247 480 K HN 0.961 nan 8.250 nan 0.000 0.482 481 T N -1.923 112.685 114.554 0.091 0.000 2.606 481 T HA 0.637 4.987 4.350 -0.001 0.000 0.289 481 T C -0.814 173.877 174.700 -0.015 0.000 1.113 481 T CA -0.765 61.353 62.100 0.029 0.000 1.106 481 T CB 0.866 69.811 68.868 0.127 0.000 1.611 481 T HN 0.088 nan 8.240 nan 0.000 0.471 482 L N 1.221 122.404 121.223 -0.066 0.000 2.416 482 L HA 0.476 4.816 4.340 -0.001 0.000 0.262 482 L C 0.471 177.366 176.870 0.041 0.000 1.093 482 L CA -1.074 53.696 54.840 -0.117 0.000 0.801 482 L CB 0.784 42.699 42.059 -0.239 0.000 1.191 482 L HN 0.702 nan 8.230 nan 0.000 0.459 483 C N 1.877 121.177 119.300 -0.001 0.000 2.634 483 C HA -0.025 4.435 4.460 -0.001 0.000 0.417 483 C C 2.030 177.069 174.990 0.082 0.000 1.334 483 C CA -0.470 58.554 59.018 0.011 0.000 1.829 483 C CB 0.239 27.944 27.740 -0.059 0.000 2.665 483 C HN 0.735 nan 8.230 nan 0.000 0.614 484 M N 2.471 122.156 119.600 0.142 0.000 2.460 484 M HA -0.044 4.436 4.480 -0.001 0.000 0.263 484 M C 1.422 177.807 176.300 0.142 0.000 1.071 484 M CA 1.380 56.802 55.300 0.204 0.000 1.096 484 M CB -0.949 31.842 32.600 0.318 0.000 1.408 484 M HN 0.804 nan 8.290 nan 0.000 0.463 485 D N -0.289 120.149 120.400 0.064 0.000 2.342 485 D HA 0.254 4.894 4.640 -0.001 0.000 0.221 485 D C 0.494 176.811 176.300 0.029 0.000 1.101 485 D CA -0.096 53.922 54.000 0.031 0.000 0.837 485 D CB -0.439 40.358 40.800 -0.005 0.000 0.938 485 D HN 0.069 nan 8.370 nan 0.000 0.508 486 A N 0.035 122.878 122.820 0.038 0.000 2.425 486 A HA 0.443 4.763 4.320 -0.001 0.000 0.242 486 A C -0.118 177.498 177.584 0.054 0.000 1.077 486 A CA -0.335 51.724 52.037 0.035 0.000 0.781 486 A CB 0.749 19.761 19.000 0.020 0.000 1.020 486 A HN 0.146 nan 8.150 nan 0.000 0.494 487 V N 2.417 122.364 119.914 0.054 0.000 2.531 487 V HA 0.410 4.529 4.120 -0.001 0.000 0.301 487 V C -0.135 175.999 176.094 0.068 0.000 1.034 487 V CA -0.306 62.030 62.300 0.060 0.000 0.865 487 V CB 1.531 33.382 31.823 0.047 0.000 0.995 487 V HN 1.090 nan 8.190 nan 0.000 0.424 488 Q N 1.746 121.593 119.800 0.079 0.000 2.552 488 Q HA 0.421 4.761 4.340 -0.001 0.000 0.289 488 Q C 0.718 176.783 176.000 0.110 0.000 1.097 488 Q CA -0.839 55.009 55.803 0.075 0.000 0.812 488 Q CB 1.817 30.592 28.738 0.063 0.000 1.460 488 Q HN 0.822 nan 8.270 nan 0.000 0.452 489 H N 0.198 119.257 119.070 -0.017 0.000 2.352 489 H HA -0.134 4.422 4.556 -0.001 0.000 0.299 489 H C 0.769 176.224 175.328 0.212 0.000 1.097 489 H CA 1.927 57.992 56.048 0.029 0.000 1.311 489 H CB 0.361 30.080 29.762 -0.072 0.000 1.377 489 H HN 0.639 nan 8.280 nan 0.000 0.504 490 W N 1.027 122.383 121.300 0.093 0.000 2.699 490 W HA 0.234 4.894 4.660 -0.001 0.000 0.249 490 W C 1.289 177.884 176.519 0.127 0.000 1.280 490 W CA 1.355 58.758 57.345 0.096 0.000 1.345 490 W CB -0.407 29.155 29.460 0.170 0.000 1.128 490 W HN 0.473 nan 8.180 nan 0.000 0.642 491 G N -0.582 108.382 108.800 0.274 0.000 2.302 491 G HA2 -0.042 3.918 3.960 -0.001 0.000 0.264 491 G HA3 -0.042 3.918 3.960 -0.001 0.000 0.264 491 G C -0.825 174.135 174.900 0.100 0.000 1.335 491 G CA -1.145 44.055 45.100 0.167 0.000 0.982 491 G HN -0.163 nan 8.290 nan 0.000 0.473 492 K N 0.210 120.639 120.400 0.048 0.000 2.185 492 K HA 0.295 4.615 4.320 -0.001 0.000 0.271 492 K C 1.188 177.825 176.600 0.063 0.000 1.013 492 K CA -0.332 55.988 56.287 0.056 0.000 0.943 492 K CB 1.704 34.237 32.500 0.055 0.000 0.998 492 K HN 0.528 nan 8.250 nan 0.000 0.468 493 Q N 1.802 121.666 119.800 0.107 0.000 2.152 493 Q HA -0.263 4.077 4.340 -0.001 0.000 0.206 493 Q C 1.603 177.714 176.000 0.186 0.000 0.985 493 Q CA 1.806 57.698 55.803 0.148 0.000 0.863 493 Q CB -0.415 28.411 28.738 0.146 0.000 0.904 493 Q HN 0.677 nan 8.270 nan 0.000 0.422 494 Y N 0.516 120.842 120.300 0.044 0.000 2.139 494 Y HA -0.303 4.246 4.550 -0.001 0.000 0.282 494 Y C 1.426 177.308 175.900 -0.031 0.000 1.179 494 Y CA 2.370 60.487 58.100 0.029 0.000 1.161 494 Y CB -0.055 38.401 38.460 -0.007 0.000 0.970 494 Y HN 0.262 nan 8.280 nan 0.000 0.511 495 D N -0.695 119.657 120.400 -0.080 0.000 2.277 495 D HA 0.017 4.657 4.640 -0.001 0.000 0.209 495 D C 1.719 177.730 176.300 -0.481 0.000 0.970 495 D CA 1.520 55.215 54.000 -0.509 0.000 0.874 495 D CB 0.038 40.156 40.800 -1.137 0.000 0.982 495 D HN 0.632 nan 8.370 nan 0.000 0.504 496 I N -2.097 118.357 120.570 -0.193 0.000 4.081 496 I HA 0.158 4.327 4.170 -0.001 0.000 0.333 496 I C 1.779 177.956 176.117 0.101 0.000 1.413 496 I CA -0.231 61.072 61.300 0.005 0.000 1.110 496 I CB 0.006 38.107 38.000 0.168 0.000 1.082 496 I HN -0.123 nan 8.210 nan 0.000 0.402 497 H N 2.955 122.033 119.070 0.014 0.000 2.353 497 H HA -0.214 4.342 4.556 -0.000 0.000 0.298 497 H C 1.043 176.348 175.328 -0.037 0.000 1.103 497 H CA 2.481 58.526 56.048 -0.005 0.000 1.293 497 H CB -0.124 29.616 29.762 -0.036 0.000 1.372 497 H HN 0.575 nan 8.280 nan 0.000 0.501 498 N N 0.020 118.726 118.700 0.010 0.000 2.550 498 N HA -0.029 4.711 4.740 -0.001 0.000 0.186 498 N C 1.276 176.785 175.510 -0.001 0.000 1.110 498 N CA 0.031 53.083 53.050 0.004 0.000 0.912 498 N CB 0.214 38.811 38.487 0.183 0.000 0.968 498 N HN 0.352 nan 8.380 nan 0.000 0.448 499 L N -0.661 120.549 121.223 -0.022 0.000 2.640 499 L HA 0.068 4.408 4.340 -0.001 0.000 0.230 499 L C 1.436 178.425 176.870 0.198 0.000 1.123 499 L CA -0.113 54.777 54.840 0.083 0.000 0.900 499 L CB -0.149 42.007 42.059 0.162 0.000 1.146 499 L HN 0.217 nan 8.230 nan 0.000 0.484 500 Y N 1.408 121.704 120.300 -0.006 0.000 2.089 500 Y HA -0.175 4.375 4.550 -0.001 0.000 0.282 500 Y C 2.381 178.283 175.900 0.004 0.000 1.139 500 Y CA 1.975 60.064 58.100 -0.019 0.000 1.123 500 Y CB -0.156 38.241 38.460 -0.105 0.000 0.980 500 Y HN 0.124 nan 8.280 nan 0.000 0.493 501 G N -1.401 107.544 108.800 0.241 0.000 2.432 501 G HA2 -0.351 3.609 3.960 -0.001 0.000 0.219 501 G HA3 -0.351 3.609 3.960 -0.001 0.000 0.219 501 G C 1.498 176.456 174.900 0.097 0.000 1.135 501 G CA 0.955 46.153 45.100 0.163 0.000 0.767 501 G HN 0.588 nan 8.290 nan 0.000 0.550 502 Y N 2.779 123.106 120.300 0.044 0.000 2.145 502 Y HA -0.207 4.342 4.550 -0.001 0.000 0.286 502 Y C 3.103 178.944 175.900 -0.098 0.000 1.145 502 Y CA 1.995 60.125 58.100 0.050 0.000 1.148 502 Y CB -0.379 38.192 38.460 0.185 0.000 0.981 502 Y HN 0.297 nan 8.280 nan 0.000 0.507 503 S N -0.075 115.526 115.700 -0.166 0.000 2.383 503 S HA -0.265 4.205 4.470 -0.001 0.000 0.227 503 S C 2.177 176.464 174.600 -0.522 0.000 1.026 503 S CA 1.370 59.330 58.200 -0.401 0.000 0.981 503 S CB -0.770 62.154 63.200 -0.459 0.000 0.818 503 S HN 0.665 nan 8.310 nan 0.000 0.472 504 M N 1.426 120.675 119.600 -0.585 0.000 2.175 504 M HA 0.050 4.530 4.480 -0.001 0.000 0.264 504 M C 2.358 178.342 176.300 -0.527 0.000 1.063 504 M CA 1.499 56.256 55.300 -0.906 0.000 1.119 504 M CB -0.521 31.542 32.600 -0.895 0.000 1.377 504 M HN 0.517 nan 8.290 nan 0.000 0.415 505 A N -0.346 122.270 122.820 -0.340 0.000 1.933 505 A HA -0.101 4.219 4.320 -0.001 0.000 0.218 505 A C 2.010 179.331 177.584 -0.439 0.000 1.175 505 A CA 1.652 53.543 52.037 -0.244 0.000 0.628 505 A CB -1.013 17.925 19.000 -0.102 0.000 0.814 505 A HN 0.401 nan 8.150 nan 0.000 0.444 506 V N -0.053 119.398 119.914 -0.771 0.000 2.255 506 V HA -0.283 3.837 4.120 -0.001 0.000 0.247 506 V C 3.077 178.899 176.094 -0.454 0.000 1.051 506 V CA 2.086 63.782 62.300 -1.006 0.000 1.018 506 V CB -1.313 29.910 31.823 -1.000 0.000 0.641 506 V HN 0.611 nan 8.190 nan 0.000 0.445 507 A N -0.430 122.201 122.820 -0.316 0.000 1.940 507 A HA -0.230 4.090 4.320 -0.001 0.000 0.219 507 A C 2.371 180.047 177.584 0.153 0.000 1.176 507 A CA 2.546 54.544 52.037 -0.065 0.000 0.631 507 A CB -0.904 18.054 19.000 -0.070 0.000 0.814 507 A HN 0.537 nan 8.150 nan 0.000 0.446 508 T N 0.044 114.666 114.554 0.113 0.000 2.812 508 T HA 0.087 4.436 4.350 -0.001 0.000 0.264 508 T C 2.241 176.962 174.700 0.036 0.000 1.042 508 T CA 1.277 63.501 62.100 0.207 0.000 1.140 508 T CB -0.388 68.594 68.868 0.189 0.000 0.870 508 T HN 0.582 nan 8.240 nan 0.000 0.445 509 A N 1.491 124.314 122.820 0.006 0.000 1.933 509 A HA -0.135 4.184 4.320 -0.001 0.000 0.218 509 A C 2.194 179.813 177.584 0.058 0.000 1.175 509 A CA 1.914 53.986 52.037 0.058 0.000 0.628 509 A CB -0.578 18.529 19.000 0.177 0.000 0.814 509 A HN 0.435 nan 8.150 nan 0.000 0.444 510 E N 0.277 120.497 120.200 0.034 0.000 2.058 510 E HA -0.112 4.237 4.350 -0.001 0.000 0.194 510 E C 2.102 178.729 176.600 0.045 0.000 0.997 510 E CA 1.696 58.124 56.400 0.047 0.000 0.801 510 E CB -0.522 29.203 29.700 0.042 0.000 0.746 510 E HN 0.483 nan 8.360 nan 0.000 0.450 511 A N 0.809 123.661 122.820 0.052 0.000 1.908 511 A HA -0.153 4.167 4.320 -0.001 0.000 0.218 511 A C 2.463 180.003 177.584 -0.074 0.000 1.181 511 A CA 2.393 54.415 52.037 -0.025 0.000 0.627 511 A CB -1.170 17.757 19.000 -0.121 0.000 0.818 511 A HN 0.392 nan 8.150 nan 0.000 0.445 512 A N 0.043 122.855 122.820 -0.014 0.000 1.948 512 A HA -0.236 4.084 4.320 -0.001 0.000 0.220 512 A C 2.035 179.672 177.584 0.088 0.000 1.177 512 A CA 1.958 54.076 52.037 0.135 0.000 0.636 512 A CB -0.537 18.588 19.000 0.209 0.000 0.815 512 A HN 0.613 nan 8.150 nan 0.000 0.449 513 K N -1.098 119.330 120.400 0.046 0.000 2.160 513 K HA -0.128 4.191 4.320 -0.001 0.000 0.206 513 K C 1.822 178.409 176.600 -0.022 0.000 1.047 513 K CA 1.780 58.083 56.287 0.026 0.000 0.930 513 K CB -0.312 32.205 32.500 0.029 0.000 0.720 513 K HN 0.515 nan 8.250 nan 0.000 0.450 514 T N 0.171 114.686 114.554 -0.065 0.000 2.983 514 T HA 0.005 4.355 4.350 -0.001 0.000 0.250 514 T C 1.999 176.570 174.700 -0.214 0.000 1.037 514 T CA 0.459 62.494 62.100 -0.108 0.000 1.142 514 T CB 0.168 68.980 68.868 -0.094 0.000 0.876 514 T HN -0.083 nan 8.240 nan 0.000 0.455 515 V N 0.565 120.272 119.914 -0.345 0.000 2.488 515 V HA 0.103 4.223 4.120 -0.001 0.000 0.246 515 V C 0.384 175.890 176.094 -0.980 0.000 1.046 515 V CA 1.155 63.010 62.300 -0.742 0.000 1.053 515 V CB -0.433 30.815 31.823 -0.959 0.000 0.679 515 V HN 0.403 nan 8.190 nan 0.000 0.458 516 F N 0.500 120.333 119.950 -0.195 0.000 2.523 516 F HA 0.462 4.989 4.527 -0.001 0.000 0.322 516 F C -2.601 173.148 175.800 -0.086 0.000 1.361 516 F CA -3.154 54.756 58.000 -0.149 0.000 1.151 516 F CB 0.004 38.945 39.000 -0.097 0.000 1.391 516 F HN 0.040 nan 8.300 nan 0.000 0.566 517 P HA 0.075 nan 4.420 nan 0.000 0.264 517 P C 0.263 177.587 177.300 0.039 0.000 1.193 517 P CA 0.534 63.641 63.100 0.012 0.000 0.763 517 P CB 0.447 32.134 31.700 -0.022 0.000 0.810 518 N N -0.567 118.157 118.700 0.040 0.000 2.815 518 N HA -0.164 4.575 4.740 -0.001 0.000 0.247 518 N C -0.244 175.290 175.510 0.040 0.000 1.030 518 N CA 1.345 54.417 53.050 0.037 0.000 0.881 518 N CB -0.900 37.603 38.487 0.026 0.000 1.134 518 N HN 0.487 nan 8.380 nan 0.000 0.582 519 K N 0.615 121.054 120.400 0.064 0.000 2.221 519 K HA 0.384 4.703 4.320 -0.001 0.000 0.243 519 K C 1.316 177.934 176.600 0.030 0.000 0.968 519 K CA -0.637 55.680 56.287 0.050 0.000 0.846 519 K CB 1.330 33.875 32.500 0.076 0.000 1.141 519 K HN 0.035 nan 8.250 nan 0.000 0.434 520 R N 0.487 120.978 120.500 -0.016 0.000 2.090 520 R HA -0.066 4.274 4.340 -0.001 0.000 0.228 520 R C 1.036 177.295 176.300 -0.069 0.000 1.110 520 R CA 0.907 56.975 56.100 -0.054 0.000 0.973 520 R CB -0.096 30.137 30.300 -0.111 0.000 0.869 520 R HN 0.883 nan 8.270 nan 0.000 0.440 521 S N -0.650 114.995 115.700 -0.093 0.000 3.469 521 S HA -0.314 4.155 4.470 -0.001 0.000 0.628 521 S C -0.549 174.040 174.600 -0.018 0.000 2.687 521 S CA 1.188 59.297 58.200 -0.152 0.000 3.829 521 S CB -0.736 62.201 63.200 -0.439 0.000 0.258 521 S HN 0.323 nan 8.310 nan 0.000 1.222 522 F N 0.641 120.498 119.950 -0.154 0.000 2.623 522 F HA 0.718 5.245 4.527 -0.001 0.000 0.323 522 F C -1.194 174.578 175.800 -0.046 0.000 1.158 522 F CA -0.669 57.237 58.000 -0.156 0.000 1.030 522 F CB 0.852 39.762 39.000 -0.151 0.000 1.280 522 F HN 0.548 nan 8.300 nan 0.000 0.474 523 I N 7.006 127.207 120.570 -0.615 0.000 2.418 523 I HA 0.413 4.583 4.170 -0.001 0.000 0.287 523 I C -1.502 174.149 176.117 -0.777 0.000 1.008 523 I CA -0.980 60.026 61.300 -0.490 0.000 1.104 523 I CB 1.884 39.772 38.000 -0.186 0.000 1.264 523 I HN 0.492 nan 8.210 nan 0.000 0.438 524 L N 6.538 127.399 121.223 -0.603 0.000 2.298 524 L HA 0.601 4.941 4.340 -0.001 0.000 0.284 524 L C -0.244 176.678 176.870 0.087 0.000 1.013 524 L CA 0.322 54.906 54.840 -0.427 0.000 0.824 524 L CB 1.583 43.364 42.059 -0.463 0.000 1.221 524 L HN 0.582 nan 8.230 nan 0.000 0.418 525 T N 3.741 118.389 114.554 0.156 0.000 2.885 525 T HA 0.436 4.785 4.350 -0.001 0.000 0.285 525 T C 0.736 175.662 174.700 0.378 0.000 1.019 525 T CA -0.427 61.853 62.100 0.301 0.000 1.010 525 T CB 1.613 70.580 68.868 0.164 0.000 1.022 525 T HN 0.824 nan 8.240 nan 0.000 0.466 526 R N 1.922 122.580 120.500 0.264 0.000 2.041 526 R HA 0.247 4.586 4.340 -0.001 0.000 0.221 526 R C 0.929 177.238 176.300 0.014 0.000 1.196 526 R CA 0.413 56.403 56.100 -0.184 0.000 0.969 526 R CB -0.406 29.684 30.300 -0.349 0.000 0.858 526 R HN 0.570 nan 8.270 nan 0.000 0.444 527 S N 0.253 116.001 115.700 0.081 0.000 2.565 527 S HA 0.185 4.655 4.470 -0.001 0.000 0.276 527 S C -0.515 174.159 174.600 0.123 0.000 1.326 527 S CA -0.165 58.108 58.200 0.122 0.000 1.045 527 S CB 0.870 64.147 63.200 0.128 0.000 0.918 527 S HN 0.449 nan 8.310 nan 0.000 0.505 528 T N 2.105 116.733 114.554 0.124 0.000 2.883 528 T HA 0.701 5.051 4.350 -0.001 0.000 0.301 528 T C -1.016 173.834 174.700 0.251 0.000 1.158 528 T CA -0.700 61.506 62.100 0.177 0.000 1.007 528 T CB 1.188 70.113 68.868 0.095 0.000 1.186 528 T HN 0.520 nan 8.240 nan 0.000 0.499 529 F N 0.971 120.993 119.950 0.121 0.000 2.661 529 F HA 0.795 5.322 4.527 -0.001 0.000 0.347 529 F C -0.037 175.774 175.800 0.019 0.000 1.086 529 F CA -1.111 56.899 58.000 0.016 0.000 1.016 529 F CB 1.305 40.228 39.000 -0.128 0.000 1.368 529 F HN 1.001 nan 8.300 nan 0.000 0.505 530 A N 1.079 123.450 122.820 -0.748 0.000 2.520 530 A HA 0.446 4.766 4.320 -0.001 0.000 0.245 530 A C 0.925 178.500 177.584 -0.015 0.000 1.072 530 A CA 0.759 52.565 52.037 -0.385 0.000 0.761 530 A CB -1.046 17.651 19.000 -0.505 0.000 1.004 530 A HN 1.949 nan 8.150 nan 0.000 0.499 531 G N 1.544 110.335 108.800 -0.015 0.000 2.194 531 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.236 531 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.236 531 G C 1.292 176.376 174.900 0.306 0.000 0.987 531 G CA 0.725 45.912 45.100 0.145 0.000 0.635 531 G HN 0.986 nan 8.290 nan 0.000 0.520 532 S N 0.344 116.268 115.700 0.373 0.000 2.419 532 S HA 0.021 4.491 4.470 -0.001 0.000 0.235 532 S C 2.443 177.184 174.600 0.235 0.000 1.019 532 S CA 1.835 60.288 58.200 0.422 0.000 0.982 532 S CB -0.416 62.995 63.200 0.352 0.000 0.789 532 S HN 1.289 nan 8.310 nan 0.000 0.490 533 G N 1.150 110.016 108.800 0.110 0.000 2.509 533 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.218 533 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.218 533 G C 1.192 176.030 174.900 -0.102 0.000 1.124 533 G CA 0.599 45.715 45.100 0.027 0.000 0.776 533 G HN 0.490 nan 8.290 nan 0.000 0.547 534 K N -0.698 119.557 120.400 -0.242 0.000 2.360 534 K HA -0.010 4.309 4.320 -0.001 0.000 0.201 534 K C 1.141 177.327 176.600 -0.691 0.000 1.046 534 K CA 0.966 56.914 56.287 -0.566 0.000 0.945 534 K CB -0.123 31.842 32.500 -0.890 0.000 0.750 534 K HN 0.406 nan 8.250 nan 0.000 0.464 535 F N -1.186 118.738 119.950 -0.044 0.000 2.819 535 F HA 0.391 4.918 4.527 -0.001 0.000 0.325 535 F C 0.261 176.004 175.800 -0.096 0.000 1.041 535 F CA -0.289 57.671 58.000 -0.067 0.000 1.184 535 F CB 0.993 39.946 39.000 -0.079 0.000 1.019 535 F HN -0.083 nan 8.300 nan 0.000 0.590 536 A N 0.060 122.915 122.820 0.057 0.000 2.594 536 A HA 0.839 5.159 4.320 -0.001 0.000 0.295 536 A C -0.957 176.570 177.584 -0.095 0.000 1.071 536 A CA -0.363 51.643 52.037 -0.052 0.000 0.685 536 A CB 0.507 19.510 19.000 0.006 0.000 1.285 536 A HN 0.125 nan 8.150 nan 0.000 0.405 537 A N 0.218 122.886 122.820 -0.253 0.000 2.257 537 A HA 0.739 5.059 4.320 -0.001 0.000 0.289 537 A C -0.231 177.262 177.584 -0.152 0.000 1.095 537 A CA 0.070 51.964 52.037 -0.239 0.000 0.836 537 A CB 0.334 19.059 19.000 -0.457 0.000 1.111 537 A HN 1.683 nan 8.150 nan 0.000 0.497 538 H N -1.528 117.387 119.070 -0.258 0.000 2.851 538 H HA 0.569 5.125 4.556 -0.001 0.000 0.372 538 H C -1.284 173.944 175.328 -0.166 0.000 1.158 538 H CA -0.788 55.130 56.048 -0.218 0.000 1.159 538 H CB 1.115 30.670 29.762 -0.345 0.000 1.757 538 H HN 0.874 nan 8.280 nan 0.000 0.546 539 W N 5.341 126.021 121.300 -1.033 0.000 2.799 539 W HA 0.450 5.110 4.660 -0.001 0.000 0.349 539 W C -0.967 174.955 176.519 -0.995 0.000 1.100 539 W CA -1.180 55.708 57.345 -0.761 0.000 1.174 539 W CB 0.959 30.214 29.460 -0.341 0.000 1.427 539 W HN 0.504 nan 8.180 nan 0.000 0.547 540 L N 3.934 124.813 121.223 -0.573 0.000 2.610 540 L HA 0.316 4.656 4.340 -0.001 0.000 0.232 540 L C 1.223 177.883 176.870 -0.350 0.000 1.149 540 L CA 0.786 55.392 54.840 -0.391 0.000 0.872 540 L CB -1.357 40.674 42.059 -0.046 0.000 0.992 540 L HN 1.027 nan 8.230 nan 0.000 0.447 541 G N 0.364 108.630 108.800 -0.889 0.000 2.545 541 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.216 541 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.216 541 G C -0.807 174.079 174.900 -0.024 0.000 1.314 541 G CA -0.516 44.141 45.100 -0.737 0.000 0.906 541 G HN 0.186 nan 8.290 nan 0.000 0.563 542 D N 2.546 122.975 120.400 0.048 0.000 2.551 542 D HA 0.292 4.932 4.640 -0.001 0.000 0.223 542 D C 1.231 177.710 176.300 0.297 0.000 1.144 542 D CA 0.123 54.141 54.000 0.030 0.000 1.025 542 D CB -0.374 40.444 40.800 0.030 0.000 1.085 542 D HN 0.629 nan 8.370 nan 0.000 0.506 543 N N 0.099 118.997 118.700 0.330 0.000 2.381 543 N HA 0.258 4.998 4.740 -0.001 0.000 0.289 543 N C -0.153 175.574 175.510 0.362 0.000 1.288 543 N CA -0.273 52.996 53.050 0.365 0.000 0.960 543 N CB 0.257 38.979 38.487 0.391 0.000 1.116 543 N HN -0.077 nan 8.380 nan 0.000 0.557 544 T N -1.554 113.189 114.554 0.315 0.000 2.909 544 T HA 0.650 5.000 4.350 -0.001 0.000 0.299 544 T C -0.649 174.174 174.700 0.205 0.000 1.073 544 T CA -0.579 61.644 62.100 0.205 0.000 0.999 544 T CB 1.554 70.536 68.868 0.190 0.000 1.098 544 T HN 0.703 nan 8.240 nan 0.000 0.477 545 A N 2.804 125.675 122.820 0.085 0.000 3.026 545 A HA 0.507 4.827 4.320 -0.001 0.000 0.272 545 A C 0.834 178.471 177.584 0.087 0.000 1.782 545 A CA -0.318 51.793 52.037 0.124 0.000 1.451 545 A CB -1.220 17.780 19.000 0.000 0.000 1.081 545 A HN 0.805 nan 8.150 nan 0.000 0.611 546 T N -4.218 110.392 114.554 0.093 0.000 2.924 546 T HA 0.437 4.787 4.350 -0.001 0.000 0.291 546 T C 0.487 175.060 174.700 -0.212 0.000 1.045 546 T CA -0.721 61.366 62.100 -0.022 0.000 1.015 546 T CB 0.777 69.647 68.868 0.004 0.000 1.103 546 T HN 0.448 nan 8.240 nan 0.000 0.496 547 W N 0.540 121.751 121.300 -0.149 0.000 2.374 547 W HA 0.004 4.664 4.660 -0.001 0.000 0.288 547 W C 1.821 178.095 176.519 -0.409 0.000 1.218 547 W CA 0.973 58.167 57.345 -0.251 0.000 1.245 547 W CB -0.385 28.974 29.460 -0.168 0.000 1.126 547 W HN 0.740 nan 8.180 nan 0.000 0.545 548 D N 0.308 120.517 120.400 -0.319 0.000 2.084 548 D HA -0.175 4.465 4.640 -0.001 0.000 0.194 548 D C 1.381 176.944 176.300 -1.229 0.000 0.990 548 D CA 1.828 55.273 54.000 -0.925 0.000 0.826 548 D CB -0.638 39.498 40.800 -1.106 0.000 0.971 548 D HN 0.150 nan 8.370 nan 0.000 0.453 549 D N -0.006 120.002 120.400 -0.653 0.000 2.149 549 D HA -0.138 4.501 4.640 -0.001 0.000 0.198 549 D C 1.967 178.104 176.300 -0.272 0.000 0.990 549 D CA 0.360 54.260 54.000 -0.167 0.000 0.839 549 D CB -0.164 40.783 40.800 0.245 0.000 0.948 549 D HN 0.070 nan 8.370 nan 0.000 0.460 550 L N 0.994 121.743 121.223 -0.789 0.000 1.989 550 L HA -0.179 4.160 4.340 -0.001 0.000 0.211 550 L C 1.962 178.589 176.870 -0.404 0.000 1.071 550 L CA 1.807 55.991 54.840 -1.094 0.000 0.749 550 L CB -0.315 40.975 42.059 -1.281 0.000 0.890 550 L HN -0.103 nan 8.230 nan 0.000 0.431 551 R N -1.452 118.878 120.500 -0.285 0.000 2.091 551 R HA -0.211 4.129 4.340 -0.001 0.000 0.238 551 R C 2.047 178.451 176.300 0.174 0.000 1.136 551 R CA 1.880 57.951 56.100 -0.048 0.000 0.959 551 R CB -0.629 29.645 30.300 -0.043 0.000 0.856 551 R HN 0.468 nan 8.270 nan 0.000 0.437 552 W N 0.953 122.304 121.300 0.085 0.000 2.525 552 W HA -0.047 4.613 4.660 -0.001 0.000 0.259 552 W C 2.417 179.009 176.519 0.122 0.000 1.253 552 W CA 0.991 58.404 57.345 0.113 0.000 1.262 552 W CB -0.974 28.556 29.460 0.118 0.000 1.122 552 W HN 0.208 nan 8.180 nan 0.000 0.607 553 S N 0.114 116.010 115.700 0.326 0.000 2.382 553 S HA -0.194 4.276 4.470 -0.001 0.000 0.228 553 S C 1.793 176.518 174.600 0.209 0.000 1.027 553 S CA 1.285 59.648 58.200 0.271 0.000 0.991 553 S CB -0.821 62.574 63.200 0.325 0.000 0.823 553 S HN 0.233 nan 8.310 nan 0.000 0.469 554 I N 2.460 123.156 120.570 0.210 0.000 2.133 554 I HA -0.041 4.129 4.170 -0.001 0.000 0.238 554 I C -0.685 175.452 176.117 0.033 0.000 1.074 554 I CA 0.871 62.229 61.300 0.096 0.000 1.342 554 I CB -1.438 36.639 38.000 0.127 0.000 1.053 554 I HN 0.235 nan 8.210 nan 0.000 0.404 555 P HA -0.167 nan 4.420 nan 0.000 0.216 555 P C 1.611 179.000 177.300 0.147 0.000 1.153 555 P CA 1.905 65.090 63.100 0.141 0.000 0.858 555 P CB -0.289 31.547 31.700 0.226 0.000 0.789 556 G N -0.448 108.454 108.800 0.169 0.000 2.418 556 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.217 556 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.217 556 G C 1.648 176.702 174.900 0.258 0.000 1.158 556 G CA 0.738 45.977 45.100 0.232 0.000 0.771 556 G HN 0.161 nan 8.290 nan 0.000 0.545 557 V N 0.927 120.910 119.914 0.116 0.000 2.343 557 V HA -0.127 3.992 4.120 -0.001 0.000 0.247 557 V C 2.920 179.017 176.094 0.005 0.000 1.051 557 V CA 1.477 63.814 62.300 0.061 0.000 1.036 557 V CB -0.399 31.397 31.823 -0.044 0.000 0.654 557 V HN 0.345 nan 8.190 nan 0.000 0.451 558 L N -0.447 120.702 121.223 -0.123 0.000 2.056 558 L HA -0.183 4.156 4.340 -0.001 0.000 0.207 558 L C 2.561 179.353 176.870 -0.130 0.000 1.078 558 L CA 1.655 56.352 54.840 -0.238 0.000 0.749 558 L CB -0.650 41.013 42.059 -0.660 0.000 0.901 558 L HN 0.372 nan 8.230 nan 0.000 0.433 559 E N -0.203 119.969 120.200 -0.046 0.000 2.077 559 E HA -0.217 4.132 4.350 -0.001 0.000 0.193 559 E C 2.050 178.134 176.600 -0.859 0.000 0.989 559 E CA 1.352 57.537 56.400 -0.358 0.000 0.800 559 E CB -0.139 29.447 29.700 -0.191 0.000 0.746 559 E HN 0.341 nan 8.360 nan 0.000 0.452 560 F N 1.246 121.048 119.950 -0.246 0.000 2.407 560 F HA -0.071 4.455 4.527 -0.001 0.000 0.299 560 F C 2.033 177.806 175.800 -0.045 0.000 1.097 560 F CA 0.715 58.696 58.000 -0.032 0.000 1.422 560 F CB -0.043 39.064 39.000 0.178 0.000 1.067 560 F HN 0.031 nan 8.300 nan 0.000 0.539 561 N N 0.391 119.106 118.700 0.026 0.000 2.188 561 N HA -0.117 4.623 4.740 -0.001 0.000 0.184 561 N C 1.972 177.450 175.510 -0.054 0.000 1.018 561 N CA 1.054 54.096 53.050 -0.013 0.000 0.858 561 N CB -0.242 38.218 38.487 -0.046 0.000 0.989 561 N HN 0.299 nan 8.380 nan 0.000 0.426 562 L N 0.092 121.233 121.223 -0.138 0.000 2.079 562 L HA -0.130 4.209 4.340 -0.001 0.000 0.210 562 L C 1.546 178.416 176.870 -0.001 0.000 1.081 562 L CA 1.013 55.824 54.840 -0.050 0.000 0.752 562 L CB -0.538 41.511 42.059 -0.016 0.000 0.896 562 L HN 0.070 nan 8.230 nan 0.000 0.433 563 F N 0.411 120.375 119.950 0.023 0.000 2.802 563 F HA 0.181 4.708 4.527 -0.001 0.000 0.300 563 F C 1.879 177.668 175.800 -0.019 0.000 1.168 563 F CA 0.241 58.241 58.000 -0.001 0.000 1.433 563 F CB -1.285 37.632 39.000 -0.138 0.000 1.115 563 F HN 0.204 nan 8.300 nan 0.000 0.582 564 G N 1.133 109.990 108.800 0.096 0.000 2.176 564 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.252 564 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.252 564 G C 0.231 175.169 174.900 0.064 0.000 1.024 564 G CA 0.125 45.220 45.100 -0.008 0.000 0.755 564 G HN 0.417 nan 8.290 nan 0.000 0.507 565 I N 0.902 121.584 120.570 0.187 0.000 2.779 565 I HA 0.197 4.367 4.170 -0.001 0.000 0.294 565 I C -0.916 175.335 176.117 0.224 0.000 1.241 565 I CA -2.139 59.297 61.300 0.227 0.000 1.069 565 I CB 1.175 39.398 38.000 0.373 0.000 1.772 565 I HN -0.067 nan 8.210 nan 0.000 0.582 566 P HA -0.140 nan 4.420 nan 0.000 0.219 566 P C 0.854 178.326 177.300 0.287 0.000 1.150 566 P CA 0.881 64.062 63.100 0.135 0.000 0.814 566 P CB 0.253 31.932 31.700 -0.035 0.000 0.787 567 M N 1.397 121.239 119.600 0.403 0.000 2.821 567 M HA 0.256 4.736 4.480 -0.001 0.000 0.305 567 M C -0.809 175.609 176.300 0.198 0.000 1.466 567 M CA -0.448 55.065 55.300 0.355 0.000 1.526 567 M CB -1.103 31.590 32.600 0.154 0.000 1.321 567 M HN -0.273 nan 8.290 nan 0.000 0.492 568 V N 3.714 123.783 119.914 0.258 0.000 2.932 568 V HA 1.014 5.134 4.120 -0.001 0.000 0.307 568 V C -0.572 175.654 176.094 0.220 0.000 1.147 568 V CA 0.254 62.649 62.300 0.160 0.000 0.951 568 V CB 2.089 33.990 31.823 0.131 0.000 1.031 568 V HN 0.797 nan 8.190 nan 0.000 0.426 569 G N 5.412 114.317 108.800 0.174 0.000 2.559 569 G HA2 0.716 4.675 3.960 -0.001 0.000 0.291 569 G HA3 0.716 4.675 3.960 -0.001 0.000 0.291 569 G C -3.551 171.314 174.900 -0.060 0.000 1.424 569 G CA -0.594 44.448 45.100 -0.096 0.000 0.786 569 G HN 0.672 nan 8.290 nan 0.000 0.485 570 P HA 0.359 nan 4.420 nan 0.000 0.310 570 P C -1.094 176.246 177.300 0.067 0.000 1.309 570 P CA -0.469 62.650 63.100 0.032 0.000 0.769 570 P CB 1.253 33.029 31.700 0.125 0.000 1.327 571 D N 0.347 120.824 120.400 0.129 0.000 2.344 571 D HA 0.237 4.877 4.640 -0.001 0.000 0.253 571 D C 0.468 176.561 176.300 -0.344 0.000 1.255 571 D CA 0.206 54.208 54.000 0.003 0.000 0.894 571 D CB -0.421 40.487 40.800 0.181 0.000 1.067 571 D HN 0.222 nan 8.370 nan 0.000 0.492 572 I N 1.658 122.005 120.570 -0.372 0.000 2.683 572 I HA -0.142 4.028 4.170 -0.001 0.000 0.286 572 I C 1.032 176.622 176.117 -0.879 0.000 1.175 572 I CA -0.042 60.809 61.300 -0.748 0.000 1.429 572 I CB 0.356 38.245 38.000 -0.186 0.000 1.371 572 I HN 0.612 nan 8.210 nan 0.000 0.569 573 c N 3.802 121.489 118.600 -1.521 0.000 5.189 573 c HA -0.121 4.449 4.570 -0.001 0.000 0.253 573 c C 0.844 174.546 174.090 -0.646 0.000 1.601 573 c CA 0.230 56.132 56.329 -0.711 0.000 1.533 573 c CB -2.569 39.816 42.510 -0.208 0.000 2.164 573 c HN 1.521 nan 8.230 nan 0.000 0.604 574 G N -1.172 107.117 108.800 -0.853 0.000 3.209 574 G HA2 0.103 4.063 3.960 -0.001 0.000 0.686 574 G HA3 0.103 4.063 3.960 -0.001 0.000 0.686 574 G C -0.300 174.546 174.900 -0.090 0.000 1.065 574 G CA 0.064 44.975 45.100 -0.315 0.000 0.812 574 G HN 1.070 nan 8.290 nan 0.000 0.573 575 F N 2.799 122.697 119.950 -0.087 0.000 2.022 575 F HA 0.425 4.952 4.527 -0.001 0.000 0.293 575 F C 2.037 177.788 175.800 -0.083 0.000 1.142 575 F CA 2.443 60.421 58.000 -0.037 0.000 1.177 575 F CB -0.352 38.722 39.000 0.124 0.000 0.982 575 F HN 1.148 nan 8.300 nan 0.000 0.473 576 A N 0.868 123.655 122.820 -0.055 0.000 2.388 576 A HA 0.531 4.850 4.320 -0.001 0.000 0.257 576 A C -0.774 176.384 177.584 -0.710 0.000 1.095 576 A CA -0.285 51.506 52.037 -0.409 0.000 0.791 576 A CB 0.054 19.081 19.000 0.046 0.000 1.029 576 A HN 0.608 nan 8.150 nan 0.000 0.489 577 L N 0.522 120.764 121.223 -1.634 0.000 0.584 577 L HA -0.130 4.210 4.340 -0.001 0.000 0.356 577 L C -0.710 175.765 176.870 -0.659 0.000 0.985 577 L CA 0.078 54.335 54.840 -0.972 0.000 1.223 577 L CB -0.922 40.940 42.059 -0.327 0.000 0.010 577 L HN 0.877 nan 8.230 nan 0.000 0.091 578 D N 0.771 121.043 120.400 -0.213 0.000 2.417 578 D HA 0.276 4.916 4.640 -0.001 0.000 0.250 578 D C 0.379 176.665 176.300 -0.024 0.000 1.166 578 D CA 0.314 54.292 54.000 -0.036 0.000 0.881 578 D CB 0.755 41.578 40.800 0.039 0.000 1.164 578 D HN 0.559 nan 8.370 nan 0.000 0.467 579 T N 2.767 117.333 114.554 0.021 0.000 2.832 579 T HA 0.349 4.699 4.350 -0.001 0.000 0.296 579 T C -2.334 172.448 174.700 0.138 0.000 0.968 579 T CA -1.691 60.451 62.100 0.069 0.000 1.107 579 T CB 0.585 69.507 68.868 0.089 0.000 0.916 579 T HN 0.068 nan 8.240 nan 0.000 0.517 580 P HA 0.158 nan 4.420 nan 0.000 0.272 580 P C 0.877 178.288 177.300 0.184 0.000 1.223 580 P CA -0.379 62.817 63.100 0.159 0.000 0.784 580 P CB 0.563 32.366 31.700 0.173 0.000 0.923 581 E N 2.216 122.551 120.200 0.225 0.000 2.085 581 E HA -0.260 4.089 4.350 -0.001 0.000 0.194 581 E C 1.481 178.102 176.600 0.035 0.000 0.994 581 E CA 1.626 58.121 56.400 0.160 0.000 0.801 581 E CB -0.020 29.806 29.700 0.209 0.000 0.743 581 E HN 0.561 nan 8.360 nan 0.000 0.453 582 E N 0.039 120.319 120.200 0.134 0.000 2.051 582 E HA -0.195 4.154 4.350 -0.001 0.000 0.192 582 E C 2.410 179.116 176.600 0.177 0.000 0.991 582 E CA 0.999 57.517 56.400 0.197 0.000 0.799 582 E CB -0.147 29.743 29.700 0.316 0.000 0.748 582 E HN 0.184 nan 8.360 nan 0.000 0.449 583 L N 1.069 122.329 121.223 0.061 0.000 1.989 583 L HA -0.205 4.135 4.340 -0.001 0.000 0.211 583 L C 2.600 179.358 176.870 -0.187 0.000 1.071 583 L CA 2.076 56.616 54.840 -0.500 0.000 0.749 583 L CB -1.107 40.580 42.059 -0.620 0.000 0.890 583 L HN 0.355 nan 8.230 nan 0.000 0.431 584 c N -0.026 118.538 118.600 -0.061 0.000 2.413 584 c HA -0.185 4.385 4.570 -0.001 0.000 0.277 584 c C 3.106 177.137 174.090 -0.099 0.000 1.265 584 c CA 1.268 57.567 56.329 -0.050 0.000 1.752 584 c CB -0.983 41.446 42.510 -0.135 0.000 1.998 584 c HN 0.696 nan 8.230 nan 0.000 0.489 585 R N -0.120 120.291 120.500 -0.148 0.000 2.075 585 R HA -0.065 4.275 4.340 -0.001 0.000 0.232 585 R C 2.398 178.696 176.300 -0.003 0.000 1.126 585 R CA 1.312 57.352 56.100 -0.102 0.000 0.963 585 R CB -0.286 29.966 30.300 -0.080 0.000 0.858 585 R HN 0.368 nan 8.270 nan 0.000 0.435 586 R N -0.263 120.250 120.500 0.021 0.000 2.115 586 R HA -0.138 4.202 4.340 -0.001 0.000 0.230 586 R C 1.822 178.145 176.300 0.038 0.000 1.111 586 R CA 0.850 56.969 56.100 0.032 0.000 0.976 586 R CB -0.764 29.591 30.300 0.092 0.000 0.870 586 R HN 0.439 nan 8.270 nan 0.000 0.445 587 W N 0.731 121.952 121.300 -0.131 0.000 2.418 587 W HA -0.004 4.656 4.660 -0.001 0.000 0.292 587 W C 1.701 178.197 176.519 -0.038 0.000 1.213 587 W CA 0.654 57.952 57.345 -0.078 0.000 1.283 587 W CB -0.144 29.262 29.460 -0.089 0.000 1.119 587 W HN -0.022 nan 8.180 nan 0.000 0.542 588 M N 0.271 119.987 119.600 0.192 0.000 2.175 588 M HA -0.192 4.288 4.480 -0.001 0.000 0.264 588 M C 1.894 178.222 176.300 0.046 0.000 1.063 588 M CA 1.526 56.872 55.300 0.078 0.000 1.119 588 M CB -1.385 31.203 32.600 -0.020 0.000 1.377 588 M HN 0.128 nan 8.290 nan 0.000 0.415 589 Q N -0.154 119.667 119.800 0.034 0.000 2.020 589 Q HA -0.197 4.142 4.340 -0.001 0.000 0.202 589 Q C 2.090 178.077 176.000 -0.021 0.000 0.982 589 Q CA 1.303 57.076 55.803 -0.049 0.000 0.838 589 Q CB -0.387 28.267 28.738 -0.141 0.000 0.899 589 Q HN 0.308 nan 8.270 nan 0.000 0.423 590 L N 0.545 121.761 121.223 -0.012 0.000 2.046 590 L HA -0.058 4.282 4.340 -0.001 0.000 0.208 590 L C 2.097 178.878 176.870 -0.149 0.000 1.077 590 L CA 2.293 57.114 54.840 -0.031 0.000 0.747 590 L CB -1.043 40.969 42.059 -0.078 0.000 0.896 590 L HN 0.219 nan 8.230 nan 0.000 0.432 591 G N -1.156 107.594 108.800 -0.082 0.000 2.448 591 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.219 591 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.219 591 G C 1.551 176.473 174.900 0.035 0.000 1.127 591 G CA 0.647 45.728 45.100 -0.033 0.000 0.766 591 G HN 0.642 nan 8.290 nan 0.000 0.552 592 A N -0.154 122.610 122.820 -0.094 0.000 2.178 592 A HA 0.238 4.558 4.320 -0.001 0.000 0.218 592 A C 1.543 178.760 177.584 -0.612 0.000 1.157 592 A CA 0.793 52.626 52.037 -0.340 0.000 0.689 592 A CB -0.350 18.344 19.000 -0.509 0.000 0.787 592 A HN 0.354 nan 8.150 nan 0.000 0.465 593 F N -2.915 117.119 119.950 0.140 0.000 2.688 593 F HA 0.314 4.841 4.527 -0.001 0.000 0.310 593 F C -0.146 176.086 175.800 0.720 0.000 1.098 593 F CA -1.075 57.130 58.000 0.342 0.000 1.228 593 F CB -0.022 38.894 39.000 -0.140 0.000 1.042 593 F HN 0.034 nan 8.300 nan 0.000 0.557 594 Y N 2.055 122.728 120.300 0.622 0.000 2.497 594 Y HA 0.156 4.706 4.550 -0.001 0.000 0.334 594 Y C -1.202 174.976 175.900 0.463 0.000 1.199 594 Y CA -2.738 55.657 58.100 0.492 0.000 1.425 594 Y CB -0.154 38.495 38.460 0.315 0.000 1.291 594 Y HN -0.132 nan 8.280 nan 0.000 0.562 595 P HA -0.181 nan 4.420 nan 0.000 0.215 595 P C -0.155 177.424 177.300 0.465 0.000 1.153 595 P CA 1.358 64.712 63.100 0.424 0.000 0.853 595 P CB 0.160 32.067 31.700 0.346 0.000 0.788 596 F N 0.186 120.291 119.950 0.258 0.000 2.385 596 F HA 0.510 5.037 4.527 -0.001 0.000 0.360 596 F C -0.080 175.822 175.800 0.171 0.000 1.122 596 F CA -1.193 56.885 58.000 0.131 0.000 1.090 596 F CB 0.788 39.812 39.000 0.039 0.000 1.150 596 F HN -0.323 nan 8.300 nan 0.000 0.472 597 S N 7.801 123.280 115.700 -0.368 0.000 2.532 597 S HA 0.519 4.989 4.470 -0.001 0.000 0.318 597 S C -0.717 173.596 174.600 -0.479 0.000 1.083 597 S CA -0.608 57.514 58.200 -0.131 0.000 1.131 597 S CB -0.030 63.325 63.200 0.258 0.000 0.973 597 S HN 0.857 nan 8.310 nan 0.000 0.468 598 R N 3.923 124.036 120.500 -0.645 0.000 2.538 598 R HA 0.352 4.692 4.340 -0.001 0.000 0.292 598 R C -1.456 174.614 176.300 -0.382 0.000 1.008 598 R CA -0.632 55.029 56.100 -0.732 0.000 0.896 598 R CB 0.881 30.558 30.300 -1.038 0.000 1.187 598 R HN 0.564 nan 8.270 nan 0.000 0.440 599 N N 3.106 121.598 118.700 -0.347 0.000 2.426 599 N HA 0.131 4.871 4.740 -0.001 0.000 0.257 599 N C -1.643 173.814 175.510 -0.089 0.000 1.002 599 N CA -0.050 52.928 53.050 -0.119 0.000 0.942 599 N CB 0.939 39.482 38.487 0.093 0.000 1.112 599 N HN 0.677 nan 8.380 nan 0.000 0.499 600 H N 2.285 121.261 119.070 -0.158 0.000 2.821 600 H HA 0.577 5.133 4.556 -0.001 0.000 0.373 600 H C -1.436 173.933 175.328 0.067 0.000 1.165 600 H CA -0.686 55.322 56.048 -0.066 0.000 1.154 600 H CB 1.241 30.918 29.762 -0.141 0.000 1.765 600 H HN 0.573 nan 8.280 nan 0.000 0.549 601 N N 1.467 119.901 118.700 -0.443 0.000 2.277 601 N HA 0.429 5.168 4.740 -0.001 0.000 0.286 601 N C -0.480 174.739 175.510 -0.486 0.000 1.140 601 N CA 0.007 52.864 53.050 -0.321 0.000 0.799 601 N CB 2.253 40.643 38.487 -0.162 0.000 1.596 601 N HN 0.884 nan 8.380 nan 0.000 0.473 602 G N 0.342 108.733 108.800 -0.682 0.000 2.616 602 G HA2 0.197 4.157 3.960 -0.001 0.000 0.268 602 G HA3 0.197 4.157 3.960 -0.001 0.000 0.268 602 G C -0.529 174.128 174.900 -0.405 0.000 1.213 602 G CA -0.343 44.231 45.100 -0.877 0.000 0.926 602 G HN 0.664 nan 8.290 nan 0.000 0.523 603 Q N -0.580 118.868 119.800 -0.586 0.000 2.311 603 Q HA 0.376 4.715 4.340 -0.001 0.000 0.272 603 Q C 1.381 176.860 176.000 -0.868 0.000 1.012 603 Q CA 1.053 56.374 55.803 -0.803 0.000 0.891 603 Q CB 0.289 28.352 28.738 -1.125 0.000 1.201 603 Q HN 1.198 nan 8.270 nan 0.000 0.391 604 G N 2.676 111.103 108.800 -0.621 0.000 2.320 604 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.242 604 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.242 604 G C -0.513 174.107 174.900 -0.467 0.000 1.033 604 G CA 0.296 45.071 45.100 -0.542 0.000 0.620 604 G HN 0.644 nan 8.290 nan 0.000 0.517 605 Y N 2.020 122.205 120.300 -0.192 0.000 2.426 605 Y HA 0.423 4.973 4.550 -0.001 0.000 0.344 605 Y C 1.300 177.119 175.900 -0.135 0.000 1.256 605 Y CA -0.180 57.829 58.100 -0.151 0.000 1.451 605 Y CB 0.427 38.785 38.460 -0.171 0.000 1.342 605 Y HN 0.516 nan 8.280 nan 0.000 0.600 606 K N 1.447 121.886 120.400 0.067 0.000 2.469 606 K HA -0.049 4.271 4.320 -0.001 0.000 0.274 606 K C -0.811 175.757 176.600 -0.052 0.000 0.983 606 K CA -0.562 55.711 56.287 -0.022 0.000 0.974 606 K CB 0.324 32.802 32.500 -0.036 0.000 0.913 606 K HN 0.488 nan 8.250 nan 0.000 0.493 607 D N 2.437 122.779 120.400 -0.097 0.000 2.525 607 D HA -0.114 4.526 4.640 -0.001 0.000 0.235 607 D C 0.493 176.709 176.300 -0.140 0.000 1.137 607 D CA 0.700 54.640 54.000 -0.100 0.000 0.868 607 D CB 0.782 41.515 40.800 -0.112 0.000 1.180 607 D HN 0.712 nan 8.370 nan 0.000 0.465 608 Q N 0.510 120.297 119.800 -0.021 0.000 2.093 608 Q HA 0.051 4.391 4.340 -0.001 0.000 0.217 608 Q C -0.513 175.660 176.000 0.288 0.000 0.785 608 Q CA -0.594 55.298 55.803 0.148 0.000 1.038 608 Q CB 0.323 29.159 28.738 0.164 0.000 1.190 608 Q HN 0.477 nan 8.270 nan 0.000 0.468 609 D N 1.144 121.647 120.400 0.171 0.000 2.423 609 D HA 0.029 4.669 4.640 -0.001 0.000 0.238 609 D C -1.801 174.668 176.300 0.282 0.000 1.142 609 D CA -1.180 52.935 54.000 0.191 0.000 0.884 609 D CB 1.479 42.357 40.800 0.130 0.000 1.199 609 D HN -0.127 nan 8.370 nan 0.000 0.438 610 P HA -0.165 nan 4.420 nan 0.000 0.216 610 P C 1.330 178.780 177.300 0.250 0.000 1.153 610 P CA 2.131 65.360 63.100 0.215 0.000 0.858 610 P CB -0.021 31.693 31.700 0.023 0.000 0.789 611 A N -0.106 122.797 122.820 0.138 0.000 2.121 611 A HA -0.130 4.190 4.320 -0.001 0.000 0.218 611 A C 2.274 179.919 177.584 0.103 0.000 1.154 611 A CA 1.718 53.818 52.037 0.105 0.000 0.679 611 A CB -1.560 17.477 19.000 0.061 0.000 0.795 611 A HN 0.328 nan 8.150 nan 0.000 0.458 612 S N -1.079 114.671 115.700 0.084 0.000 2.469 612 S HA -0.081 4.389 4.470 -0.001 0.000 0.238 612 S C 1.321 175.829 174.600 -0.154 0.000 0.998 612 S CA 1.007 59.168 58.200 -0.065 0.000 0.957 612 S CB -0.761 62.343 63.200 -0.160 0.000 0.764 612 S HN 0.424 nan 8.310 nan 0.000 0.514 613 F N 2.306 122.266 119.950 0.018 0.000 2.789 613 F HA 0.419 4.946 4.527 -0.001 0.000 0.300 613 F C 1.522 177.332 175.800 0.016 0.000 1.132 613 F CA 0.520 58.531 58.000 0.019 0.000 1.404 613 F CB 0.029 39.041 39.000 0.020 0.000 1.114 613 F HN 0.511 nan 8.300 nan 0.000 0.584 614 G N -0.390 108.495 108.800 0.141 0.000 2.764 614 G HA2 0.192 4.152 3.960 -0.001 0.000 0.678 614 G HA3 0.192 4.152 3.960 -0.001 0.000 0.678 614 G C 0.330 175.276 174.900 0.076 0.000 1.341 614 G CA -0.700 44.451 45.100 0.085 0.000 0.836 614 G HN 0.226 nan 8.290 nan 0.000 0.632 615 A N 0.363 123.213 122.820 0.049 0.000 2.121 615 A HA 0.209 4.529 4.320 -0.001 0.000 0.218 615 A C 1.390 178.994 177.584 0.032 0.000 1.154 615 A CA 2.144 54.204 52.037 0.039 0.000 0.679 615 A CB 0.000 19.017 19.000 0.029 0.000 0.795 615 A HN 0.604 nan 8.150 nan 0.000 0.458 616 D N -0.387 120.034 120.400 0.035 0.000 2.535 616 D HA 0.106 4.746 4.640 -0.001 0.000 0.229 616 D C 0.214 176.532 176.300 0.031 0.000 1.238 616 D CA 0.388 54.404 54.000 0.025 0.000 0.824 616 D CB 0.271 41.082 40.800 0.018 0.000 1.045 616 D HN 0.450 nan 8.370 nan 0.000 0.500 617 S N 0.181 115.910 115.700 0.049 0.000 2.592 617 S HA 0.117 4.587 4.470 -0.001 0.000 0.271 617 S C 1.330 175.949 174.600 0.031 0.000 1.326 617 S CA -0.646 57.589 58.200 0.058 0.000 1.024 617 S CB 1.981 65.249 63.200 0.112 0.000 0.921 617 S HN 0.025 nan 8.310 nan 0.000 0.527 618 L N 2.461 123.697 121.223 0.022 0.000 2.079 618 L HA -0.038 4.301 4.340 -0.001 0.000 0.210 618 L C 2.201 179.063 176.870 -0.013 0.000 1.081 618 L CA 1.706 56.548 54.840 0.003 0.000 0.752 618 L CB -0.756 41.307 42.059 0.007 0.000 0.896 618 L HN 0.923 nan 8.230 nan 0.000 0.433 619 L N -1.644 119.556 121.223 -0.039 0.000 2.017 619 L HA -0.196 4.143 4.340 -0.001 0.000 0.208 619 L C 2.384 179.209 176.870 -0.075 0.000 1.073 619 L CA 1.524 56.292 54.840 -0.120 0.000 0.745 619 L CB -0.294 41.551 42.059 -0.357 0.000 0.894 619 L HN 0.382 nan 8.230 nan 0.000 0.432 620 L N 0.428 121.640 121.223 -0.018 0.000 2.056 620 L HA -0.193 4.147 4.340 -0.001 0.000 0.207 620 L C 2.215 179.074 176.870 -0.018 0.000 1.078 620 L CA 1.740 56.578 54.840 -0.004 0.000 0.749 620 L CB -0.972 41.110 42.059 0.039 0.000 0.901 620 L HN 0.318 nan 8.230 nan 0.000 0.433 621 N N -0.782 117.912 118.700 -0.010 0.000 2.084 621 N HA -0.190 4.549 4.740 -0.001 0.000 0.190 621 N C 2.077 177.580 175.510 -0.011 0.000 1.030 621 N CA 1.566 54.606 53.050 -0.017 0.000 0.849 621 N CB -0.638 37.834 38.487 -0.025 0.000 1.012 621 N HN 0.418 nan 8.380 nan 0.000 0.423 622 S N 0.285 115.987 115.700 0.003 0.000 2.356 622 S HA -0.066 4.404 4.470 -0.001 0.000 0.223 622 S C 2.040 176.715 174.600 0.125 0.000 1.032 622 S CA 1.441 59.686 58.200 0.074 0.000 1.005 622 S CB -0.260 63.004 63.200 0.107 0.000 0.867 622 S HN 0.306 nan 8.310 nan 0.000 0.449 623 S N 1.130 116.847 115.700 0.028 0.000 2.359 623 S HA -0.128 4.342 4.470 -0.001 0.000 0.224 623 S C 1.936 176.478 174.600 -0.097 0.000 1.035 623 S CA 1.370 59.542 58.200 -0.047 0.000 1.018 623 S CB -0.450 62.669 63.200 -0.136 0.000 0.876 623 S HN 0.550 nan 8.310 nan 0.000 0.448 624 R N 0.396 120.844 120.500 -0.086 0.000 2.081 624 R HA -0.138 4.202 4.340 -0.001 0.000 0.235 624 R C 2.395 178.636 176.300 -0.098 0.000 1.131 624 R CA 1.384 57.418 56.100 -0.111 0.000 0.960 624 R CB -0.454 29.801 30.300 -0.075 0.000 0.856 624 R HN 0.565 nan 8.270 nan 0.000 0.436 625 H N -0.683 118.281 119.070 -0.177 0.000 2.319 625 H HA -0.205 4.351 4.556 -0.001 0.000 0.299 625 H C 1.375 176.504 175.328 -0.331 0.000 1.092 625 H CA 2.324 58.202 56.048 -0.283 0.000 1.302 625 H CB -0.105 29.407 29.762 -0.417 0.000 1.373 625 H HN 0.339 nan 8.280 nan 0.000 0.497 626 Y N 0.112 120.379 120.300 -0.054 0.000 2.365 626 Y HA -0.040 4.509 4.550 -0.001 0.000 0.293 626 Y C 2.866 178.618 175.900 -0.247 0.000 1.119 626 Y CA 0.128 58.168 58.100 -0.101 0.000 1.203 626 Y CB 0.132 38.621 38.460 0.048 0.000 1.026 626 Y HN 0.098 nan 8.280 nan 0.000 0.549 627 L N -0.185 120.965 121.223 -0.121 0.000 2.093 627 L HA -0.241 4.099 4.340 -0.001 0.000 0.208 627 L C 1.647 178.438 176.870 -0.131 0.000 1.085 627 L CA 1.517 56.254 54.840 -0.172 0.000 0.755 627 L CB -0.512 41.361 42.059 -0.310 0.000 0.904 627 L HN 0.339 nan 8.230 nan 0.000 0.435 628 N N 0.038 118.633 118.700 -0.175 0.000 2.188 628 N HA -0.149 4.591 4.740 -0.001 0.000 0.184 628 N C 1.901 177.402 175.510 -0.014 0.000 1.018 628 N CA 0.916 53.896 53.050 -0.117 0.000 0.858 628 N CB -0.001 38.397 38.487 -0.149 0.000 0.989 628 N HN 0.218 nan 8.380 nan 0.000 0.426 629 I N 0.934 121.450 120.570 -0.090 0.000 2.163 629 I HA -0.303 3.867 4.170 -0.001 0.000 0.243 629 I C 2.594 178.763 176.117 0.086 0.000 1.085 629 I CA 1.012 62.302 61.300 -0.017 0.000 1.347 629 I CB -0.270 37.681 38.000 -0.080 0.000 1.044 629 I HN 0.173 nan 8.210 nan 0.000 0.408 630 R N 0.399 120.913 120.500 0.023 0.000 2.096 630 R HA -0.252 4.087 4.340 -0.001 0.000 0.240 630 R C 2.461 178.980 176.300 0.365 0.000 1.139 630 R CA 2.112 58.304 56.100 0.152 0.000 0.952 630 R CB -0.468 29.860 30.300 0.046 0.000 0.854 630 R HN 0.246 nan 8.270 nan 0.000 0.436 631 Y N 0.801 121.170 120.300 0.115 0.000 2.242 631 Y HA -0.110 4.440 4.550 -0.001 0.000 0.291 631 Y C 2.606 178.630 175.900 0.206 0.000 1.137 631 Y CA 1.705 59.900 58.100 0.159 0.000 1.181 631 Y CB -0.592 37.938 38.460 0.116 0.000 0.989 631 Y HN 0.135 nan 8.280 nan 0.000 0.527 632 T N 0.107 114.859 114.554 0.330 0.000 2.759 632 T HA -0.172 4.178 4.350 -0.001 0.000 0.269 632 T C 1.666 176.576 174.700 0.351 0.000 1.042 632 T CA 1.328 63.604 62.100 0.292 0.000 1.140 632 T CB -0.426 68.591 68.868 0.248 0.000 0.864 632 T HN 0.225 nan 8.240 nan 0.000 0.455 633 L N 0.475 121.941 121.223 0.406 0.000 2.628 633 L HA 0.302 4.642 4.340 -0.001 0.000 0.229 633 L C 1.840 179.068 176.870 0.597 0.000 1.137 633 L CA -0.113 55.054 54.840 0.546 0.000 0.909 633 L CB -0.227 42.206 42.059 0.623 0.000 1.137 633 L HN 0.224 nan 8.230 nan 0.000 0.470 634 L N 0.640 122.117 121.223 0.423 0.000 2.043 634 L HA -0.179 4.161 4.340 -0.001 0.000 0.212 634 L C -0.204 176.912 176.870 0.408 0.000 1.075 634 L CA 1.756 56.754 54.840 0.264 0.000 0.752 634 L CB -1.448 40.612 42.059 0.002 0.000 0.891 634 L HN 0.283 nan 8.230 nan 0.000 0.432 635 P HA -0.225 nan 4.420 nan 0.000 0.216 635 P C 1.273 178.981 177.300 0.679 0.000 1.150 635 P CA 1.289 64.822 63.100 0.723 0.000 0.837 635 P CB -0.063 32.037 31.700 0.667 0.000 0.786 636 Y N 0.454 121.068 120.300 0.525 0.000 2.114 636 Y HA -0.178 4.372 4.550 -0.001 0.000 0.284 636 Y C 2.133 178.271 175.900 0.396 0.000 1.143 636 Y CA 1.232 59.634 58.100 0.504 0.000 1.135 636 Y CB -1.184 37.638 38.460 0.603 0.000 0.980 636 Y HN -0.229 nan 8.280 nan 0.000 0.499 637 L N -0.395 120.966 121.223 0.231 0.000 2.013 637 L HA -0.266 4.073 4.340 -0.001 0.000 0.212 637 L C 2.239 179.176 176.870 0.112 0.000 1.073 637 L CA 2.167 56.928 54.840 -0.131 0.000 0.753 637 L CB -1.493 40.394 42.059 -0.288 0.000 0.890 637 L HN 0.428 nan 8.230 nan 0.000 0.432 638 Y N 0.066 120.444 120.300 0.129 0.000 2.224 638 Y HA -0.239 4.311 4.550 -0.001 0.000 0.289 638 Y C 2.467 178.532 175.900 0.276 0.000 1.146 638 Y CA 2.146 60.371 58.100 0.210 0.000 1.182 638 Y CB -0.739 37.869 38.460 0.247 0.000 0.983 638 Y HN 0.259 nan 8.280 nan 0.000 0.524 639 T N 0.906 115.642 114.554 0.304 0.000 2.821 639 T HA -0.143 4.206 4.350 -0.001 0.000 0.267 639 T C 2.120 176.864 174.700 0.074 0.000 1.046 639 T CA 1.455 63.704 62.100 0.250 0.000 1.139 639 T CB -0.442 68.655 68.868 0.381 0.000 0.871 639 T HN 0.282 nan 8.240 nan 0.000 0.454 640 L N -0.288 120.878 121.223 -0.095 0.000 2.012 640 L HA -0.070 4.270 4.340 -0.001 0.000 0.210 640 L C 2.286 178.985 176.870 -0.284 0.000 1.073 640 L CA 1.498 56.186 54.840 -0.253 0.000 0.748 640 L CB -0.621 41.170 42.059 -0.446 0.000 0.891 640 L HN 0.216 nan 8.230 nan 0.000 0.431 641 F N -0.719 119.102 119.950 -0.214 0.000 2.234 641 F HA -0.237 4.290 4.527 -0.001 0.000 0.299 641 F C 2.338 177.959 175.800 -0.299 0.000 1.087 641 F CA 1.329 59.188 58.000 -0.235 0.000 1.340 641 F CB -0.593 38.274 39.000 -0.220 0.000 1.031 641 F HN 0.001 nan 8.300 nan 0.000 0.500 642 F N 1.204 120.922 119.950 -0.385 0.000 2.095 642 F HA -0.206 4.321 4.527 -0.001 0.000 0.298 642 F C 2.377 177.944 175.800 -0.388 0.000 1.104 642 F CA 1.590 59.198 58.000 -0.654 0.000 1.232 642 F CB -0.356 37.905 39.000 -1.233 0.000 0.987 642 F HN -0.268 nan 8.300 nan 0.000 0.475 643 R N 0.915 121.057 120.500 -0.597 0.000 2.092 643 R HA -0.012 4.328 4.340 -0.001 0.000 0.231 643 R C 2.469 178.513 176.300 -0.427 0.000 1.119 643 R CA 1.172 56.911 56.100 -0.601 0.000 0.970 643 R CB -1.651 28.469 30.300 -0.300 0.000 0.864 643 R HN 0.461 nan 8.270 nan 0.000 0.440 644 A N 0.495 123.131 122.820 -0.308 0.000 1.877 644 A HA -0.239 4.081 4.320 -0.001 0.000 0.216 644 A C 2.113 179.570 177.584 -0.212 0.000 1.186 644 A CA 1.988 53.888 52.037 -0.228 0.000 0.620 644 A CB -0.755 18.131 19.000 -0.190 0.000 0.822 644 A HN 0.464 nan 8.150 nan 0.000 0.443 645 H N 0.574 119.460 119.070 -0.308 0.000 2.357 645 H HA -0.077 4.479 4.556 -0.001 0.000 0.301 645 H C 2.278 177.404 175.328 -0.335 0.000 1.082 645 H CA 2.397 58.271 56.048 -0.291 0.000 1.342 645 H CB -0.029 29.573 29.762 -0.267 0.000 1.389 645 H HN 0.524 nan 8.280 nan 0.000 0.511 646 S N -1.258 114.087 115.700 -0.592 0.000 2.475 646 S HA 0.050 4.520 4.470 -0.001 0.000 0.224 646 S C 2.124 176.465 174.600 -0.433 0.000 1.042 646 S CA 0.390 58.230 58.200 -0.600 0.000 0.935 646 S CB 0.291 63.047 63.200 -0.740 0.000 0.801 646 S HN 0.468 nan 8.310 nan 0.000 0.509 647 R N 0.401 120.656 120.500 -0.409 0.000 2.369 647 R HA 0.362 4.702 4.340 -0.001 0.000 0.210 647 R C 1.187 177.346 176.300 -0.234 0.000 0.881 647 R CA 0.845 56.777 56.100 -0.280 0.000 1.031 647 R CB 0.374 30.520 30.300 -0.257 0.000 1.184 647 R HN 0.555 nan 8.270 nan 0.000 0.581 648 G N 1.537 110.184 108.800 -0.254 0.000 2.144 648 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.218 648 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.218 648 G C -0.747 174.052 174.900 -0.167 0.000 0.988 648 G CA 0.136 45.105 45.100 -0.219 0.000 0.659 648 G HN 0.408 nan 8.290 nan 0.000 0.522 649 D N 1.363 121.668 120.400 -0.159 0.000 2.362 649 D HA 0.456 5.095 4.640 -0.001 0.000 0.238 649 D C 1.484 177.718 176.300 -0.110 0.000 1.212 649 D CA 1.089 55.024 54.000 -0.108 0.000 0.902 649 D CB 0.558 41.288 40.800 -0.117 0.000 1.180 649 D HN 0.471 nan 8.370 nan 0.000 0.445 650 T N -2.323 112.198 114.554 -0.055 0.000 2.849 650 T HA 0.377 4.727 4.350 -0.001 0.000 0.284 650 T C 0.942 175.554 174.700 -0.147 0.000 1.004 650 T CA -0.835 61.219 62.100 -0.077 0.000 1.021 650 T CB 0.981 69.838 68.868 -0.019 0.000 1.013 650 T HN 0.057 nan 8.240 nan 0.000 0.527 651 V N 0.519 120.302 119.914 -0.218 0.000 2.784 651 V HA 0.418 4.538 4.120 -0.001 0.000 0.231 651 V C 1.623 177.641 176.094 -0.126 0.000 1.128 651 V CA 0.535 62.627 62.300 -0.346 0.000 1.178 651 V CB -0.880 30.466 31.823 -0.794 0.000 0.943 651 V HN 1.141 nan 8.190 nan 0.000 0.500 652 A N 1.620 124.420 122.820 -0.033 0.000 2.396 652 A HA 0.537 4.857 4.320 -0.001 0.000 0.279 652 A C 0.164 177.802 177.584 0.091 0.000 1.165 652 A CA 0.211 52.373 52.037 0.209 0.000 0.824 652 A CB -0.197 18.890 19.000 0.145 0.000 1.100 652 A HN 0.447 nan 8.150 nan 0.000 0.516 653 R N 3.338 123.948 120.500 0.184 0.000 2.561 653 R HA 0.523 4.863 4.340 -0.001 0.000 0.297 653 R C -3.050 173.261 176.300 0.020 0.000 0.969 653 R CA -2.054 54.060 56.100 0.024 0.000 0.879 653 R CB 1.935 32.295 30.300 0.100 0.000 1.178 653 R HN 0.386 nan 8.270 nan 0.000 0.445 654 P HA 0.015 nan 4.420 nan 0.000 0.271 654 P C 0.343 177.719 177.300 0.127 0.000 1.218 654 P CA -0.316 62.721 63.100 -0.105 0.000 0.780 654 P CB 0.626 32.181 31.700 -0.241 0.000 0.901 655 L N 2.684 124.048 121.223 0.234 0.000 2.081 655 L HA -0.206 4.134 4.340 -0.001 0.000 0.212 655 L C 2.026 179.182 176.870 0.478 0.000 1.080 655 L CA 1.946 57.033 54.840 0.411 0.000 0.754 655 L CB -1.561 40.721 42.059 0.370 0.000 0.893 655 L HN 0.448 nan 8.230 nan 0.000 0.433 656 L N -4.105 117.359 121.223 0.402 0.000 2.376 656 L HA -0.077 4.263 4.340 -0.001 0.000 0.219 656 L C 2.204 179.375 176.870 0.501 0.000 1.133 656 L CA 1.433 56.560 54.840 0.477 0.000 0.816 656 L CB -1.136 41.191 42.059 0.447 0.000 0.933 656 L HN 0.290 nan 8.230 nan 0.000 0.449 657 H N -0.222 118.983 119.070 0.226 0.000 2.462 657 H HA 0.040 4.595 4.556 -0.001 0.000 0.292 657 H C 1.280 176.741 175.328 0.222 0.000 1.049 657 H CA 1.017 57.196 56.048 0.218 0.000 1.334 657 H CB 0.527 30.362 29.762 0.122 0.000 1.404 657 H HN 0.486 nan 8.280 nan 0.000 0.544 658 E N 0.034 120.311 120.200 0.127 0.000 2.389 658 E HA 0.026 4.375 4.350 -0.001 0.000 0.199 658 E C -0.050 176.085 176.600 -0.774 0.000 0.978 658 E CA 0.263 56.443 56.400 -0.366 0.000 0.912 658 E CB 0.504 29.792 29.700 -0.687 0.000 0.907 658 E HN 0.340 nan 8.360 nan 0.000 0.494 659 F N 0.502 120.493 119.950 0.068 0.000 2.841 659 F HA 0.132 4.659 4.527 -0.001 0.000 0.358 659 F C 0.886 176.725 175.800 0.065 0.000 1.261 659 F CA -0.898 57.107 58.000 0.008 0.000 1.233 659 F CB -0.436 38.671 39.000 0.178 0.000 1.008 659 F HN -0.043 nan 8.300 nan 0.000 0.507 660 Y N -0.077 120.455 120.300 0.387 0.000 2.403 660 Y HA -0.136 4.413 4.550 -0.001 0.000 0.291 660 Y C 1.927 178.148 175.900 0.534 0.000 1.143 660 Y CA 0.984 59.365 58.100 0.469 0.000 1.257 660 Y CB -1.019 37.600 38.460 0.265 0.000 0.984 660 Y HN 0.243 nan 8.280 nan 0.000 0.550 661 E N 0.608 120.964 120.200 0.261 0.000 2.338 661 E HA -0.157 4.193 4.350 -0.001 0.000 0.197 661 E C -0.364 176.366 176.600 0.217 0.000 1.007 661 E CA 0.930 57.507 56.400 0.294 0.000 0.849 661 E CB -0.358 29.437 29.700 0.159 0.000 0.774 661 E HN 0.475 nan 8.360 nan 0.000 0.506 662 D N 1.980 122.491 120.400 0.185 0.000 2.412 662 D HA 0.026 4.665 4.640 -0.001 0.000 0.224 662 D C 0.691 176.808 176.300 -0.306 0.000 1.093 662 D CA -0.454 53.555 54.000 0.014 0.000 0.850 662 D CB 0.553 41.428 40.800 0.125 0.000 1.046 662 D HN -0.021 nan 8.370 nan 0.000 0.507 663 N N 1.764 120.039 118.700 -0.707 0.000 2.520 663 N HA -0.127 4.613 4.740 -0.001 0.000 0.185 663 N C 0.834 175.831 175.510 -0.855 0.000 1.068 663 N CA 0.347 52.443 53.050 -1.591 0.000 0.911 663 N CB -0.079 37.297 38.487 -1.852 0.000 0.961 663 N HN 0.059 nan 8.380 nan 0.000 0.446 664 S N -0.455 114.913 115.700 -0.553 0.000 2.474 664 S HA -0.090 4.380 4.470 -0.001 0.000 0.235 664 S C 1.617 175.867 174.600 -0.583 0.000 0.997 664 S CA 1.424 59.266 58.200 -0.596 0.000 0.949 664 S CB -0.495 62.194 63.200 -0.852 0.000 0.766 664 S HN 0.818 nan 8.310 nan 0.000 0.517 665 T N -2.466 111.903 114.554 -0.307 0.000 3.081 665 T HA 0.044 4.394 4.350 -0.001 0.000 0.250 665 T C 1.144 176.025 174.700 0.302 0.000 1.100 665 T CA -0.180 61.928 62.100 0.014 0.000 1.038 665 T CB -0.269 68.748 68.868 0.249 0.000 0.962 665 T HN 0.360 nan 8.240 nan 0.000 0.516 666 W N 3.601 124.967 121.300 0.110 0.000 2.425 666 W HA 0.139 4.799 4.660 -0.001 0.000 0.277 666 W C 0.977 177.671 176.519 0.292 0.000 1.231 666 W CA 0.861 58.342 57.345 0.227 0.000 1.248 666 W CB -0.563 29.020 29.460 0.204 0.000 1.117 666 W HN 0.614 nan 8.180 nan 0.000 0.568 667 D N -1.764 118.882 120.400 0.409 0.000 2.538 667 D HA 0.110 4.750 4.640 -0.001 0.000 0.231 667 D C -0.103 176.407 176.300 0.349 0.000 1.229 667 D CA -0.079 54.151 54.000 0.384 0.000 0.828 667 D CB -0.793 40.181 40.800 0.289 0.000 1.035 667 D HN -0.259 nan 8.370 nan 0.000 0.495 668 V N 2.063 122.132 119.914 0.257 0.000 2.479 668 V HA 0.169 4.289 4.120 -0.001 0.000 0.281 668 V C 0.711 176.943 176.094 0.231 0.000 1.031 668 V CA 0.262 62.651 62.300 0.148 0.000 1.038 668 V CB 0.189 32.070 31.823 0.097 0.000 0.981 668 V HN 0.545 nan 8.190 nan 0.000 0.478 669 H N 1.826 120.994 119.070 0.165 0.000 3.398 669 H HA 0.283 4.839 4.556 -0.001 0.000 0.260 669 H C 1.041 176.446 175.328 0.128 0.000 1.189 669 H CA -0.261 55.872 56.048 0.143 0.000 1.145 669 H CB 0.133 30.023 29.762 0.214 0.000 1.599 669 H HN 0.504 nan 8.280 nan 0.000 0.615 670 Q N 0.599 120.294 119.800 -0.175 0.000 2.319 670 Q HA 0.299 4.639 4.340 -0.001 0.000 0.202 670 Q C -0.199 175.814 176.000 0.022 0.000 0.896 670 Q CA 0.208 55.967 55.803 -0.074 0.000 0.942 670 Q CB 0.924 29.557 28.738 -0.175 0.000 1.083 670 Q HN 0.519 nan 8.270 nan 0.000 0.510 671 Q N -0.273 119.566 119.800 0.064 0.000 2.456 671 Q HA 0.697 5.036 4.340 -0.001 0.000 0.283 671 Q C -1.131 175.012 176.000 0.239 0.000 1.084 671 Q CA -1.030 54.818 55.803 0.074 0.000 0.801 671 Q CB 2.260 30.973 28.738 -0.041 0.000 1.434 671 Q HN 0.172 nan 8.270 nan 0.000 0.419 672 F N -1.743 118.200 119.950 -0.013 0.000 2.745 672 F HA 0.744 5.271 4.527 -0.001 0.000 0.316 672 F C -2.022 173.823 175.800 0.074 0.000 1.155 672 F CA -1.364 56.656 58.000 0.033 0.000 0.937 672 F CB 1.060 40.089 39.000 0.049 0.000 1.361 672 F HN 0.318 nan 8.300 nan 0.000 0.472 673 L N 0.945 122.323 121.223 0.258 0.000 2.330 673 L HA 0.408 4.747 4.340 -0.001 0.000 0.271 673 L C -1.386 175.760 176.870 0.460 0.000 1.013 673 L CA -0.699 54.272 54.840 0.218 0.000 0.816 673 L CB 1.486 43.722 42.059 0.295 0.000 1.287 673 L HN 0.554 nan 8.230 nan 0.000 0.435 674 W N 2.349 123.756 121.300 0.178 0.000 2.342 674 W HA 0.524 5.184 4.660 -0.001 0.000 0.310 674 W C 0.880 177.575 176.519 0.294 0.000 1.128 674 W CA -0.074 57.434 57.345 0.272 0.000 1.322 674 W CB 0.164 29.861 29.460 0.394 0.000 1.251 674 W HN 0.793 nan 8.180 nan 0.000 0.439 675 G N 5.668 114.653 108.800 0.308 0.000 2.574 675 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.282 675 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.282 675 G C -1.202 173.842 174.900 0.240 0.000 1.257 675 G CA 0.250 45.470 45.100 0.200 0.000 0.956 675 G HN 0.344 nan 8.290 nan 0.000 0.560 676 P HA 0.130 nan 4.420 nan 0.000 0.235 676 P C 1.316 178.548 177.300 -0.114 0.000 1.177 676 P CA 2.162 65.246 63.100 -0.026 0.000 0.785 676 P CB 0.088 31.708 31.700 -0.133 0.000 0.885 677 G N -0.722 108.176 108.800 0.163 0.000 2.833 677 G HA2 0.213 4.173 3.960 -0.001 0.000 0.214 677 G HA3 0.213 4.173 3.960 -0.001 0.000 0.214 677 G C -0.069 175.172 174.900 0.569 0.000 1.075 677 G CA 0.147 45.396 45.100 0.248 0.000 0.799 677 G HN 0.199 nan 8.290 nan 0.000 0.541 678 L N 1.559 123.083 121.223 0.502 0.000 2.305 678 L HA 0.741 5.081 4.340 -0.001 0.000 0.284 678 L C -1.140 175.788 176.870 0.097 0.000 1.013 678 L CA -1.157 53.821 54.840 0.230 0.000 0.819 678 L CB 1.768 43.880 42.059 0.089 0.000 1.227 678 L HN -0.057 nan 8.230 nan 0.000 0.417 679 L N 6.690 127.915 121.223 0.002 0.000 2.272 679 L HA 0.595 4.935 4.340 -0.001 0.000 0.289 679 L C -0.916 175.717 176.870 -0.395 0.000 1.032 679 L CA 0.129 54.840 54.840 -0.216 0.000 0.810 679 L CB 0.869 42.631 42.059 -0.494 0.000 1.205 679 L HN 0.585 nan 8.230 nan 0.000 0.422 680 I N 4.544 124.775 120.570 -0.564 0.000 2.339 680 I HA 0.391 4.560 4.170 -0.001 0.000 0.290 680 I C -0.234 175.602 176.117 -0.468 0.000 0.994 680 I CA -0.022 60.852 61.300 -0.709 0.000 1.191 680 I CB 1.651 38.967 38.000 -1.140 0.000 1.343 680 I HN 0.559 nan 8.210 nan 0.000 0.458 681 T N 7.064 121.407 114.554 -0.351 0.000 3.064 681 T HA 0.347 4.697 4.350 -0.001 0.000 0.367 681 T C -2.593 171.995 174.700 -0.186 0.000 1.202 681 T CA -1.234 60.735 62.100 -0.219 0.000 1.133 681 T CB 0.844 69.607 68.868 -0.174 0.000 1.074 681 T HN 0.308 nan 8.240 nan 0.000 0.519 682 P HA 0.361 nan 4.420 nan 0.000 0.281 682 P C -0.339 176.923 177.300 -0.063 0.000 1.249 682 P CA -0.492 62.545 63.100 -0.106 0.000 0.810 682 P CB 1.159 32.824 31.700 -0.059 0.000 1.008 683 V N 4.103 123.992 119.914 -0.041 0.000 2.508 683 V HA 0.056 4.176 4.120 -0.001 0.000 0.281 683 V C 1.398 177.530 176.094 0.064 0.000 1.041 683 V CA 0.411 62.709 62.300 -0.003 0.000 1.016 683 V CB 0.153 31.981 31.823 0.008 0.000 0.984 683 V HN 0.453 nan 8.190 nan 0.000 0.478 684 L N 3.684 124.944 121.223 0.062 0.000 3.016 684 L HA 0.425 4.765 4.340 -0.001 0.000 0.267 684 L C -0.127 176.846 176.870 0.172 0.000 1.182 684 L CA 0.091 55.013 54.840 0.137 0.000 0.997 684 L CB 0.453 42.538 42.059 0.044 0.000 1.354 684 L HN 0.579 nan 8.230 nan 0.000 0.569 685 D N 1.010 121.384 120.400 -0.044 0.000 2.498 685 D HA 0.145 4.785 4.640 -0.001 0.000 0.247 685 D C -0.494 175.306 176.300 -0.833 0.000 1.070 685 D CA -0.378 53.416 54.000 -0.344 0.000 0.842 685 D CB 2.373 43.034 40.800 -0.232 0.000 1.361 685 D HN 0.012 nan 8.370 nan 0.000 0.484 686 E N 0.250 119.577 120.200 -1.455 0.000 2.465 686 E HA 0.177 4.527 4.350 -0.001 0.000 0.260 686 E C 1.038 177.269 176.600 -0.615 0.000 0.980 686 E CA 0.638 56.149 56.400 -1.482 0.000 0.927 686 E CB 0.269 29.154 29.700 -1.358 0.000 0.934 686 E HN 0.731 nan 8.360 nan 0.000 0.459 687 G N 2.482 111.050 108.800 -0.388 0.000 2.184 687 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.264 687 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.264 687 G C 0.251 175.059 174.900 -0.153 0.000 0.975 687 G CA 0.213 45.195 45.100 -0.197 0.000 0.642 687 G HN 0.855 nan 8.290 nan 0.000 0.536 688 A N -0.128 122.581 122.820 -0.185 0.000 2.354 688 A HA 0.711 5.030 4.320 -0.001 0.000 0.269 688 A C 0.692 178.236 177.584 -0.067 0.000 1.109 688 A CA 0.504 52.469 52.037 -0.120 0.000 0.800 688 A CB 0.425 19.346 19.000 -0.131 0.000 1.045 688 A HN 0.435 nan 8.150 nan 0.000 0.489 689 E N 0.516 120.686 120.200 -0.050 0.000 2.812 689 E HA 0.160 4.510 4.350 -0.001 0.000 0.211 689 E C -0.891 175.692 176.600 -0.029 0.000 0.986 689 E CA 0.090 56.474 56.400 -0.028 0.000 1.119 689 E CB 0.511 30.200 29.700 -0.019 0.000 1.046 689 E HN 0.638 nan 8.360 nan 0.000 0.474 690 K N 0.336 120.709 120.400 -0.045 0.000 2.556 690 K HA 0.549 4.869 4.320 -0.001 0.000 0.274 690 K C -1.644 174.913 176.600 -0.070 0.000 0.966 690 K CA -0.771 55.484 56.287 -0.053 0.000 0.865 690 K CB 3.233 35.697 32.500 -0.060 0.000 1.444 690 K HN -0.145 nan 8.250 nan 0.000 0.433 691 V N 3.038 122.899 119.914 -0.087 0.000 2.686 691 V HA 0.380 4.500 4.120 -0.001 0.000 0.306 691 V C -1.130 174.881 176.094 -0.138 0.000 1.065 691 V CA -0.852 61.387 62.300 -0.101 0.000 0.894 691 V CB 1.907 33.675 31.823 -0.093 0.000 1.004 691 V HN 0.693 nan 8.190 nan 0.000 0.424 692 M N 5.298 124.820 119.600 -0.129 0.000 2.268 692 M HA 0.517 4.997 4.480 -0.001 0.000 0.349 692 M C 0.123 176.333 176.300 -0.149 0.000 1.485 692 M CA 0.538 55.750 55.300 -0.148 0.000 1.094 692 M CB 0.303 32.837 32.600 -0.110 0.000 1.843 692 M HN 0.831 nan 8.290 nan 0.000 0.460 693 A N 4.542 127.243 122.820 -0.198 0.000 2.539 693 A HA 0.637 4.957 4.320 -0.001 0.000 0.296 693 A C -1.854 175.622 177.584 -0.180 0.000 1.073 693 A CA -0.680 51.244 52.037 -0.188 0.000 0.700 693 A CB 1.357 20.210 19.000 -0.245 0.000 1.296 693 A HN 0.670 nan 8.150 nan 0.000 0.405 694 Y N 1.366 121.516 120.300 -0.250 0.000 2.313 694 Y HA 0.510 5.060 4.550 -0.001 0.000 0.332 694 Y C -0.381 175.320 175.900 -0.333 0.000 1.071 694 Y CA -0.238 57.713 58.100 -0.249 0.000 1.169 694 Y CB 1.479 39.838 38.460 -0.168 0.000 1.192 694 Y HN 0.404 nan 8.280 nan 0.000 0.487 695 V N 9.503 128.840 119.914 -0.961 0.000 2.311 695 V HA 0.305 4.425 4.120 -0.001 0.000 0.275 695 V C -2.151 173.430 176.094 -0.854 0.000 1.022 695 V CA -2.076 59.738 62.300 -0.810 0.000 0.830 695 V CB 0.770 32.289 31.823 -0.508 0.000 1.012 695 V HN 0.722 nan 8.190 nan 0.000 0.452 696 P HA 0.038 nan 4.420 nan 0.000 0.272 696 P C -0.261 176.943 177.300 -0.160 0.000 1.254 696 P CA -0.297 62.544 63.100 -0.431 0.000 0.795 696 P CB 0.501 31.500 31.700 -1.169 0.000 1.022 697 D N 0.102 120.408 120.400 -0.157 0.000 2.545 697 D HA 0.392 5.031 4.640 -0.001 0.000 0.227 697 D C -0.698 175.631 176.300 0.049 0.000 1.150 697 D CA 0.407 54.413 54.000 0.011 0.000 1.046 697 D CB -1.207 39.648 40.800 0.092 0.000 1.098 697 D HN 0.353 nan 8.370 nan 0.000 0.502 698 A N 1.686 124.485 122.820 -0.035 0.000 2.586 698 A HA 0.482 4.802 4.320 -0.001 0.000 0.290 698 A C -1.058 176.299 177.584 -0.378 0.000 1.086 698 A CA -0.750 51.158 52.037 -0.215 0.000 0.665 698 A CB 0.880 19.636 19.000 -0.407 0.000 1.279 698 A HN 0.057 nan 8.150 nan 0.000 0.423 699 V N 0.418 120.106 119.914 -0.377 0.000 2.572 699 V HA 0.290 4.410 4.120 -0.001 0.000 0.291 699 V C -0.694 175.024 176.094 -0.626 0.000 1.039 699 V CA 0.767 62.834 62.300 -0.389 0.000 1.055 699 V CB -0.021 31.653 31.823 -0.249 0.000 0.969 699 V HN 0.694 nan 8.190 nan 0.000 0.482 700 W N 3.952 125.079 121.300 -0.288 0.000 2.819 700 W HA 0.662 5.322 4.660 -0.001 0.000 0.337 700 W C -1.029 175.281 176.519 -0.348 0.000 1.077 700 W CA -0.604 56.631 57.345 -0.182 0.000 1.226 700 W CB 1.582 30.968 29.460 -0.123 0.000 1.419 700 W HN 0.420 nan 8.180 nan 0.000 0.502 701 Y N 1.167 121.683 120.300 0.360 0.000 2.376 701 Y HA 0.204 4.754 4.550 -0.001 0.000 0.340 701 Y C 0.066 176.087 175.900 0.201 0.000 0.965 701 Y CA -1.233 56.988 58.100 0.202 0.000 1.078 701 Y CB 1.410 39.928 38.460 0.096 0.000 1.193 701 Y HN 0.326 nan 8.280 nan 0.000 0.452 702 D N 1.574 122.121 120.400 0.246 0.000 2.487 702 D HA -0.116 4.523 4.640 -0.001 0.000 0.243 702 D C 0.754 177.041 176.300 -0.021 0.000 1.154 702 D CA 0.510 54.502 54.000 -0.013 0.000 0.876 702 D CB 0.499 41.287 40.800 -0.020 0.000 1.161 702 D HN 0.583 nan 8.370 nan 0.000 0.478 703 Y N 3.714 123.897 120.300 -0.196 0.000 2.128 703 Y HA -0.203 4.346 4.550 -0.001 0.000 0.284 703 Y C 1.634 177.475 175.900 -0.098 0.000 1.154 703 Y CA 1.786 59.794 58.100 -0.153 0.000 1.149 703 Y CB 0.176 38.517 38.460 -0.198 0.000 0.976 703 Y HN 0.579 nan 8.280 nan 0.000 0.505 704 E N -1.114 119.104 120.200 0.029 0.000 2.046 704 E HA -0.140 4.210 4.350 -0.001 0.000 0.190 704 E C 2.103 178.648 176.600 -0.091 0.000 0.982 704 E CA 1.801 58.205 56.400 0.007 0.000 0.800 704 E CB -0.258 29.524 29.700 0.137 0.000 0.756 704 E HN 0.608 nan 8.360 nan 0.000 0.449 705 T N -3.164 111.348 114.554 -0.071 0.000 3.051 705 T HA 0.226 4.575 4.350 -0.001 0.000 0.255 705 T C 1.660 176.302 174.700 -0.096 0.000 1.085 705 T CA 0.638 62.692 62.100 -0.077 0.000 1.109 705 T CB 0.589 69.427 68.868 -0.051 0.000 0.921 705 T HN 0.319 nan 8.240 nan 0.000 0.488 706 G N 0.963 109.708 108.800 -0.092 0.000 2.176 706 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.253 706 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.253 706 G C 0.264 175.195 174.900 0.052 0.000 0.979 706 G CA 0.322 45.376 45.100 -0.077 0.000 0.641 706 G HN 0.926 nan 8.290 nan 0.000 0.530 707 S N 0.211 115.940 115.700 0.048 0.000 2.533 707 S HA 0.409 4.879 4.470 -0.001 0.000 0.282 707 S C 0.604 175.289 174.600 0.141 0.000 1.304 707 S CA 0.297 58.538 58.200 0.068 0.000 1.063 707 S CB 0.861 64.053 63.200 -0.014 0.000 0.881 707 S HN 0.562 nan 8.310 nan 0.000 0.493 708 Q N 3.639 123.519 119.800 0.134 0.000 2.289 708 Q HA 0.257 4.596 4.340 -0.001 0.000 0.273 708 Q C 0.044 175.944 176.000 -0.168 0.000 1.029 708 Q CA -0.520 55.231 55.803 -0.086 0.000 0.896 708 Q CB 0.607 29.264 28.738 -0.134 0.000 1.182 708 Q HN 0.684 nan 8.270 nan 0.000 0.385 709 V N 2.392 122.184 119.914 -0.204 0.000 2.881 709 V HA 0.215 4.334 4.120 -0.001 0.000 0.303 709 V C 0.729 176.583 176.094 -0.400 0.000 1.070 709 V CA -0.147 61.929 62.300 -0.373 0.000 1.074 709 V CB 1.425 33.029 31.823 -0.365 0.000 1.012 709 V HN 0.937 nan 8.190 nan 0.000 0.482 710 R N 2.069 122.185 120.500 -0.641 0.000 2.299 710 R HA 0.162 4.501 4.340 -0.001 0.000 0.197 710 R C -0.097 176.060 176.300 -0.239 0.000 0.971 710 R CA 0.174 56.025 56.100 -0.414 0.000 1.030 710 R CB 0.201 30.264 30.300 -0.395 0.000 0.932 710 R HN 0.779 nan 8.270 nan 0.000 0.477 711 W N 0.911 122.159 121.300 -0.087 0.000 2.381 711 W HA 0.441 5.101 4.660 -0.000 0.000 0.329 711 W C 0.138 176.597 176.519 -0.100 0.000 1.157 711 W CA -0.899 56.375 57.345 -0.118 0.000 1.240 711 W CB 0.513 29.864 29.460 -0.181 0.000 1.199 711 W HN -0.103 nan 8.180 nan 0.000 0.579 712 R N 2.066 122.631 120.500 0.110 0.000 2.522 712 R HA 0.132 4.471 4.340 -0.001 0.000 0.273 712 R C -0.202 176.065 176.300 -0.055 0.000 1.133 712 R CA -0.781 55.339 56.100 0.033 0.000 0.969 712 R CB 0.943 31.261 30.300 0.030 0.000 1.235 712 R HN 0.563 nan 8.270 nan 0.000 0.433 713 K N 3.277 123.585 120.400 -0.153 0.000 3.419 713 K HA -0.242 4.078 4.320 -0.001 0.000 0.272 713 K C -1.571 174.920 176.600 -0.182 0.000 0.973 713 K CA 1.799 57.989 56.287 -0.160 0.000 0.749 713 K CB -0.705 31.799 32.500 0.008 0.000 1.403 713 K HN 0.794 nan 8.250 nan 0.000 0.456 714 Q N -0.398 119.112 119.800 -0.482 0.000 2.578 714 Q HA 0.351 4.691 4.340 -0.001 0.000 0.284 714 Q C -1.461 174.298 176.000 -0.401 0.000 0.960 714 Q CA -1.385 54.264 55.803 -0.258 0.000 0.809 714 Q CB 0.994 29.650 28.738 -0.137 0.000 1.462 714 Q HN 0.044 nan 8.270 nan 0.000 0.392 715 K N 1.285 121.624 120.400 -0.102 0.000 2.276 715 K HA 0.466 4.785 4.320 -0.001 0.000 0.283 715 K C -0.287 176.128 176.600 -0.309 0.000 1.044 715 K CA -0.182 56.032 56.287 -0.122 0.000 0.944 715 K CB 1.380 33.875 32.500 -0.009 0.000 1.012 715 K HN 0.523 nan 8.250 nan 0.000 0.472 716 V N 0.135 119.773 119.914 -0.459 0.000 3.040 716 V HA 0.477 4.597 4.120 -0.001 0.000 0.312 716 V C -1.003 174.780 176.094 -0.518 0.000 1.115 716 V CA -1.077 60.814 62.300 -0.683 0.000 0.998 716 V CB 1.887 32.837 31.823 -1.455 0.000 1.042 716 V HN 0.844 nan 8.190 nan 0.000 0.433 717 E N 3.364 123.299 120.200 -0.441 0.000 2.109 717 E HA 0.569 4.919 4.350 -0.001 0.000 0.278 717 E C -0.707 175.711 176.600 -0.304 0.000 0.954 717 E CA -0.662 55.560 56.400 -0.296 0.000 0.779 717 E CB 1.827 31.424 29.700 -0.171 0.000 1.093 717 E HN 0.766 nan 8.360 nan 0.000 0.401 718 M N 3.138 122.587 119.600 -0.252 0.000 2.157 718 M HA 0.134 4.614 4.480 -0.001 0.000 0.354 718 M C -0.218 176.072 176.300 -0.018 0.000 1.170 718 M CA -0.435 54.792 55.300 -0.123 0.000 1.060 718 M CB 1.365 33.898 32.600 -0.111 0.000 1.615 718 M HN 0.654 nan 8.290 nan 0.000 0.460 719 E N 5.561 125.801 120.200 0.066 0.000 2.217 719 E HA 0.228 4.578 4.350 -0.001 0.000 0.279 719 E C -1.567 175.056 176.600 0.039 0.000 1.068 719 E CA 0.032 56.458 56.400 0.044 0.000 0.882 719 E CB 0.435 30.174 29.700 0.064 0.000 1.039 719 E HN 0.646 nan 8.360 nan 0.000 0.418 720 L N 7.528 128.758 121.223 0.011 0.000 2.490 720 L HA 0.334 4.674 4.340 -0.001 0.000 0.256 720 L C -2.322 174.553 176.870 0.008 0.000 1.089 720 L CA -1.985 52.861 54.840 0.009 0.000 0.916 720 L CB 1.421 43.472 42.059 -0.013 0.000 1.188 720 L HN 0.368 nan 8.230 nan 0.000 0.476 721 P HA 0.030 nan 4.420 nan 0.000 0.272 721 P C 1.144 178.458 177.300 0.023 0.000 1.248 721 P CA -0.050 63.058 63.100 0.014 0.000 0.799 721 P CB 0.725 32.433 31.700 0.013 0.000 0.997 722 G N 0.839 109.654 108.800 0.024 0.000 2.485 722 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.221 722 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.221 722 G C 0.697 175.625 174.900 0.047 0.000 1.115 722 G CA 0.973 46.095 45.100 0.035 0.000 0.751 722 G HN 0.645 nan 8.290 nan 0.000 0.567 723 D N -0.790 119.637 120.400 0.045 0.000 2.342 723 D HA 0.122 4.762 4.640 -0.001 0.000 0.221 723 D C 0.429 176.829 176.300 0.167 0.000 1.101 723 D CA 0.110 54.151 54.000 0.069 0.000 0.837 723 D CB 0.271 41.073 40.800 0.004 0.000 0.938 723 D HN 0.020 nan 8.370 nan 0.000 0.508 724 K N 0.452 120.934 120.400 0.137 0.000 2.426 724 K HA 0.548 4.868 4.320 -0.001 0.000 0.251 724 K C -0.867 175.714 176.600 -0.031 0.000 0.941 724 K CA -0.854 55.529 56.287 0.160 0.000 0.808 724 K CB 2.969 35.531 32.500 0.103 0.000 1.265 724 K HN 0.091 nan 8.250 nan 0.000 0.432 725 I N -0.562 119.875 120.570 -0.222 0.000 2.689 725 I HA 0.468 4.638 4.170 -0.001 0.000 0.299 725 I C -0.115 175.843 176.117 -0.266 0.000 1.059 725 I CA -0.586 60.519 61.300 -0.326 0.000 1.055 725 I CB 2.026 39.685 38.000 -0.570 0.000 1.243 725 I HN 0.639 nan 8.210 nan 0.000 0.425 726 G N 7.364 116.036 108.800 -0.214 0.000 2.380 726 G HA2 0.508 4.468 3.960 -0.001 0.000 0.262 726 G HA3 0.508 4.468 3.960 -0.001 0.000 0.262 726 G C -1.034 173.677 174.900 -0.316 0.000 1.243 726 G CA -0.353 44.653 45.100 -0.157 0.000 0.865 726 G HN 0.539 nan 8.290 nan 0.000 0.513 727 L N 2.703 123.678 121.223 -0.414 0.000 2.406 727 L HA 0.421 4.761 4.340 -0.001 0.000 0.272 727 L C -0.920 175.628 176.870 -0.536 0.000 0.980 727 L CA -0.870 53.685 54.840 -0.475 0.000 0.831 727 L CB 2.172 43.931 42.059 -0.500 0.000 1.253 727 L HN 0.594 nan 8.230 nan 0.000 0.406 728 H N 2.816 121.802 119.070 -0.141 0.000 2.768 728 H HA 0.633 5.189 4.556 -0.001 0.000 0.371 728 H C -0.936 174.520 175.328 0.212 0.000 1.151 728 H CA -0.522 55.563 56.048 0.062 0.000 1.165 728 H CB 2.238 32.015 29.762 0.024 0.000 1.722 728 H HN 0.359 nan 8.280 nan 0.000 0.543 729 L N 1.956 123.421 121.223 0.404 0.000 2.317 729 L HA 0.485 4.825 4.340 -0.001 0.000 0.281 729 L C 0.324 177.522 176.870 0.548 0.000 1.024 729 L CA -0.738 54.282 54.840 0.300 0.000 0.810 729 L CB 1.516 43.568 42.059 -0.012 0.000 1.240 729 L HN 0.410 nan 8.230 nan 0.000 0.427 730 R N 1.478 122.254 120.500 0.461 0.000 2.298 730 R HA 0.303 4.643 4.340 -0.001 0.000 0.310 730 R C 0.241 176.732 176.300 0.320 0.000 1.068 730 R CA -0.368 55.725 56.100 -0.011 0.000 0.957 730 R CB 1.039 31.213 30.300 -0.210 0.000 1.003 730 R HN 0.823 nan 8.270 nan 0.000 0.454 731 G N 1.616 110.512 108.800 0.160 0.000 2.265 731 G HA2 0.304 4.264 3.960 -0.001 0.000 0.240 731 G HA3 0.304 4.264 3.960 -0.001 0.000 0.240 731 G C 0.840 175.887 174.900 0.246 0.000 1.270 731 G CA 0.403 45.677 45.100 0.290 0.000 0.901 731 G HN 0.928 nan 8.290 nan 0.000 0.507 732 G N 0.928 109.834 108.800 0.176 0.000 2.211 732 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.201 732 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.201 732 G C 0.000 174.659 174.900 -0.402 0.000 0.997 732 G CA 0.166 45.214 45.100 -0.086 0.000 0.652 732 G HN 0.818 nan 8.290 nan 0.000 0.500 733 Y N -0.211 120.114 120.300 0.041 0.000 2.499 733 Y HA 0.755 5.304 4.550 -0.001 0.000 0.347 733 Y C 0.410 176.175 175.900 -0.225 0.000 0.987 733 Y CA -1.118 56.894 58.100 -0.146 0.000 1.044 733 Y CB 1.763 40.043 38.460 -0.299 0.000 1.245 733 Y HN 0.075 nan 8.280 nan 0.000 0.461 734 I N 3.434 123.891 120.570 -0.188 0.000 2.406 734 I HA 0.352 4.522 4.170 -0.001 0.000 0.290 734 I C -1.364 174.630 176.117 -0.204 0.000 0.999 734 I CA -0.591 60.658 61.300 -0.086 0.000 1.124 734 I CB 1.178 39.201 38.000 0.039 0.000 1.289 734 I HN 0.407 nan 8.210 nan 0.000 0.441 735 F N 7.288 127.292 119.950 0.090 0.000 2.402 735 F HA 0.432 4.958 4.527 -0.001 0.000 0.355 735 F C -2.115 173.779 175.800 0.156 0.000 1.123 735 F CA -2.452 55.608 58.000 0.100 0.000 1.021 735 F CB 1.129 40.081 39.000 -0.081 0.000 1.160 735 F HN 0.205 nan 8.300 nan 0.000 0.451 736 P HA 0.228 nan 4.420 nan 0.000 0.275 736 P C -0.499 177.067 177.300 0.444 0.000 1.228 736 P CA -0.179 63.169 63.100 0.413 0.000 0.786 736 P CB 1.698 33.743 31.700 0.576 0.000 0.927 737 T N -0.947 113.815 114.554 0.346 0.000 2.883 737 T HA 0.563 4.913 4.350 -0.001 0.000 0.296 737 T C -1.152 173.678 174.700 0.215 0.000 1.117 737 T CA -0.769 61.514 62.100 0.305 0.000 1.006 737 T CB 2.011 71.029 68.868 0.251 0.000 1.191 737 T HN 0.501 nan 8.240 nan 0.000 0.508 738 Q N 0.753 120.680 119.800 0.212 0.000 2.289 738 Q HA 0.323 4.663 4.340 -0.001 0.000 0.270 738 Q C -0.943 175.146 176.000 0.148 0.000 1.038 738 Q CA -0.644 55.240 55.803 0.134 0.000 0.812 738 Q CB 2.291 31.121 28.738 0.153 0.000 1.300 738 Q HN 0.861 nan 8.270 nan 0.000 0.427 739 Q N 4.858 124.713 119.800 0.092 0.000 2.304 739 Q HA 0.050 4.390 4.340 -0.001 0.000 0.315 739 Q C -2.072 174.004 176.000 0.126 0.000 1.075 739 Q CA -0.663 55.193 55.803 0.089 0.000 0.988 739 Q CB 0.584 29.351 28.738 0.048 0.000 1.146 739 Q HN 0.372 nan 8.270 nan 0.000 0.383 740 P HA 0.250 nan 4.420 nan 0.000 0.278 740 P C -1.023 176.350 177.300 0.122 0.000 1.266 740 P CA -0.398 62.809 63.100 0.179 0.000 0.807 740 P CB 1.106 32.901 31.700 0.157 0.000 1.094 741 N N -1.465 117.325 118.700 0.151 0.000 2.972 741 N HA 0.199 4.939 4.740 -0.001 0.000 0.262 741 N C 0.633 176.170 175.510 0.046 0.000 1.478 741 N CA -0.328 52.772 53.050 0.084 0.000 0.841 741 N CB 0.801 39.346 38.487 0.096 0.000 1.512 741 N HN 0.334 nan 8.380 nan 0.000 0.548 742 T N -3.086 111.476 114.554 0.013 0.000 3.113 742 T HA 0.125 4.475 4.350 -0.001 0.000 0.256 742 T C 0.692 175.433 174.700 0.068 0.000 1.131 742 T CA 0.861 62.941 62.100 -0.033 0.000 1.074 742 T CB -0.626 68.239 68.868 -0.004 0.000 0.944 742 T HN 0.602 nan 8.240 nan 0.000 0.516 743 T N -1.570 113.079 114.554 0.159 0.000 2.903 743 T HA 0.494 4.844 4.350 -0.001 0.000 0.299 743 T C 1.113 175.993 174.700 0.301 0.000 1.093 743 T CA -0.070 62.169 62.100 0.232 0.000 1.002 743 T CB 1.833 70.747 68.868 0.077 0.000 1.127 743 T HN 0.094 nan 8.240 nan 0.000 0.488 744 T N 0.394 115.127 114.554 0.299 0.000 2.951 744 T HA -0.078 4.272 4.350 -0.001 0.000 0.268 744 T C 1.927 176.715 174.700 0.148 0.000 1.073 744 T CA 0.923 63.174 62.100 0.251 0.000 1.134 744 T CB -0.536 68.501 68.868 0.283 0.000 0.884 744 T HN 0.456 nan 8.240 nan 0.000 0.479 745 L N 1.895 123.172 121.223 0.091 0.000 2.021 745 L HA 0.013 4.353 4.340 -0.001 0.000 0.215 745 L C 2.785 179.674 176.870 0.032 0.000 1.074 745 L CA 2.189 57.044 54.840 0.024 0.000 0.760 745 L CB -1.116 40.929 42.059 -0.024 0.000 0.889 745 L HN 0.378 nan 8.230 nan 0.000 0.433 746 A N -1.409 121.444 122.820 0.054 0.000 1.930 746 A HA -0.098 4.222 4.320 -0.001 0.000 0.215 746 A C 2.428 180.061 177.584 0.081 0.000 1.176 746 A CA 1.390 53.458 52.037 0.053 0.000 0.632 746 A CB -0.937 18.091 19.000 0.047 0.000 0.819 746 A HN 0.639 nan 8.150 nan 0.000 0.445 747 S N -0.042 115.739 115.700 0.136 0.000 2.402 747 S HA -0.138 4.332 4.470 -0.001 0.000 0.229 747 S C 1.895 176.584 174.600 0.148 0.000 1.021 747 S CA 1.052 59.355 58.200 0.170 0.000 0.974 747 S CB -0.470 62.899 63.200 0.282 0.000 0.800 747 S HN 0.562 nan 8.310 nan 0.000 0.484 748 R N 1.295 121.867 120.500 0.120 0.000 2.241 748 R HA 0.086 4.425 4.340 -0.001 0.000 0.224 748 R C 1.830 178.197 176.300 0.111 0.000 1.101 748 R CA 1.200 57.367 56.100 0.112 0.000 0.995 748 R CB -0.165 30.104 30.300 -0.052 0.000 0.870 748 R HN 0.508 nan 8.270 nan 0.000 0.463 749 K N -0.192 120.245 120.400 0.061 0.000 2.487 749 K HA 0.047 4.366 4.320 -0.001 0.000 0.192 749 K C 0.184 176.782 176.600 -0.003 0.000 1.027 749 K CA 0.056 56.360 56.287 0.028 0.000 1.054 749 K CB 0.170 32.681 32.500 0.018 0.000 0.824 749 K HN 0.075 nan 8.250 nan 0.000 0.510 750 N N 1.309 120.012 118.700 0.005 0.000 2.463 750 N HA 0.196 4.936 4.740 -0.001 0.000 0.270 750 N C -2.677 172.792 175.510 -0.067 0.000 1.205 750 N CA -2.078 50.965 53.050 -0.012 0.000 0.974 750 N CB 0.419 38.922 38.487 0.027 0.000 1.197 750 N HN -0.224 nan 8.380 nan 0.000 0.504 751 P HA 0.065 nan 4.420 nan 0.000 0.266 751 P C -0.304 176.919 177.300 -0.128 0.000 1.195 751 P CA 0.288 63.323 63.100 -0.108 0.000 0.768 751 P CB 0.550 32.213 31.700 -0.062 0.000 0.838 752 L N 1.699 122.775 121.223 -0.245 0.000 2.431 752 L HA 0.792 5.132 4.340 -0.001 0.000 0.260 752 L C 1.203 178.060 176.870 -0.022 0.000 1.098 752 L CA -0.080 54.605 54.840 -0.257 0.000 0.800 752 L CB 0.818 42.404 42.059 -0.788 0.000 1.210 752 L HN 0.441 nan 8.230 nan 0.000 0.465 753 G N 0.090 108.982 108.800 0.153 0.000 2.725 753 G HA2 0.739 4.699 3.960 -0.001 0.000 0.288 753 G HA3 0.739 4.699 3.960 -0.001 0.000 0.288 753 G C -1.759 173.287 174.900 0.243 0.000 1.399 753 G CA -0.616 44.614 45.100 0.216 0.000 0.859 753 G HN 0.348 nan 8.290 nan 0.000 0.479 754 L N 0.241 121.494 121.223 0.050 0.000 2.386 754 L HA 0.546 4.885 4.340 -0.001 0.000 0.271 754 L C -0.718 176.131 176.870 -0.036 0.000 0.993 754 L CA -0.723 54.060 54.840 -0.095 0.000 0.819 754 L CB 2.432 44.271 42.059 -0.368 0.000 1.294 754 L HN 0.319 nan 8.230 nan 0.000 0.414 755 I N 4.288 124.888 120.570 0.050 0.000 2.328 755 I HA 0.348 4.518 4.170 -0.001 0.000 0.287 755 I C -0.330 175.862 176.117 0.124 0.000 1.012 755 I CA -0.288 61.049 61.300 0.062 0.000 1.195 755 I CB 1.379 39.422 38.000 0.071 0.000 1.350 755 I HN 0.412 nan 8.210 nan 0.000 0.464 756 I N 6.334 126.911 120.570 0.012 0.000 2.291 756 I HA 0.351 4.520 4.170 -0.001 0.000 0.290 756 I C 0.532 176.647 176.117 -0.004 0.000 1.050 756 I CA -0.256 61.059 61.300 0.026 0.000 1.245 756 I CB 1.118 39.106 38.000 -0.019 0.000 1.405 756 I HN 0.591 nan 8.210 nan 0.000 0.478 757 A N 8.319 131.205 122.820 0.110 0.000 2.294 757 A HA 0.586 4.906 4.320 -0.001 0.000 0.316 757 A C -0.110 177.545 177.584 0.119 0.000 1.359 757 A CA -0.468 51.574 52.037 0.009 0.000 0.956 757 A CB 0.138 19.312 19.000 0.290 0.000 1.155 757 A HN 0.697 nan 8.150 nan 0.000 0.544 758 L N 2.556 123.808 121.223 0.048 0.000 2.439 758 L HA 0.231 4.570 4.340 -0.001 0.000 0.269 758 L C 0.608 177.625 176.870 0.245 0.000 1.179 758 L CA -0.645 54.285 54.840 0.150 0.000 0.828 758 L CB 0.632 42.767 42.059 0.127 0.000 1.106 758 L HN 0.877 nan 8.230 nan 0.000 0.467 759 D N 0.609 121.098 120.400 0.149 0.000 2.511 759 D HA 0.065 4.704 4.640 -0.001 0.000 0.276 759 D C 0.625 176.980 176.300 0.091 0.000 1.220 759 D CA -0.516 53.550 54.000 0.110 0.000 1.077 759 D CB 0.482 41.317 40.800 0.058 0.000 1.126 759 D HN 0.444 nan 8.370 nan 0.000 0.583 760 E N -0.948 119.284 120.200 0.054 0.000 2.209 760 E HA -0.113 4.237 4.350 -0.001 0.000 0.196 760 E C 0.794 177.421 176.600 0.044 0.000 0.993 760 E CA 1.018 57.444 56.400 0.043 0.000 0.819 760 E CB -0.288 29.427 29.700 0.024 0.000 0.745 760 E HN 0.335 nan 8.360 nan 0.000 0.477 761 N N 0.711 119.438 118.700 0.045 0.000 2.322 761 N HA 0.010 4.750 4.740 -0.001 0.000 0.194 761 N C -0.458 175.087 175.510 0.058 0.000 1.126 761 N CA 0.180 53.255 53.050 0.042 0.000 0.845 761 N CB 0.609 39.115 38.487 0.032 0.000 0.976 761 N HN -0.076 nan 8.380 nan 0.000 0.475 762 K N 0.404 120.851 120.400 0.079 0.000 3.167 762 K HA -0.168 4.152 4.320 -0.001 0.000 0.272 762 K C -0.581 176.085 176.600 0.111 0.000 1.137 762 K CA 0.699 57.054 56.287 0.113 0.000 0.800 762 K CB -2.129 30.451 32.500 0.133 0.000 1.253 762 K HN 0.533 nan 8.250 nan 0.000 0.497 763 E N -0.606 119.641 120.200 0.078 0.000 2.299 763 E HA 0.823 5.173 4.350 -0.001 0.000 0.265 763 E C -0.537 176.083 176.600 0.033 0.000 0.911 763 E CA -0.771 55.661 56.400 0.054 0.000 0.789 763 E CB 2.154 31.869 29.700 0.024 0.000 1.246 763 E HN 0.284 nan 8.360 nan 0.000 0.427 764 A N 1.604 124.431 122.820 0.012 0.000 2.597 764 A HA 0.666 4.986 4.320 -0.001 0.000 0.292 764 A C -1.562 175.996 177.584 -0.043 0.000 1.057 764 A CA -0.688 51.327 52.037 -0.035 0.000 0.674 764 A CB 1.785 20.801 19.000 0.026 0.000 1.278 764 A HN 0.459 nan 8.150 nan 0.000 0.416 765 K N -0.455 119.876 120.400 -0.116 0.000 2.527 765 K HA 0.724 5.044 4.320 -0.001 0.000 0.260 765 K C -0.198 176.408 176.600 0.010 0.000 0.937 765 K CA 0.160 56.423 56.287 -0.040 0.000 0.826 765 K CB 2.582 35.029 32.500 -0.089 0.000 1.359 765 K HN 1.609 nan 8.250 nan 0.000 0.434 766 G N 0.825 109.728 108.800 0.173 0.000 2.619 766 G HA2 0.557 4.516 3.960 -0.001 0.000 0.305 766 G HA3 0.557 4.516 3.960 -0.001 0.000 0.305 766 G C -1.825 173.264 174.900 0.315 0.000 1.330 766 G CA -0.701 44.570 45.100 0.286 0.000 0.789 766 G HN 0.618 nan 8.290 nan 0.000 0.487 767 E N -1.833 118.597 120.200 0.383 0.000 2.423 767 E HA 0.665 5.014 4.350 -0.001 0.000 0.280 767 E C -2.217 174.625 176.600 0.403 0.000 1.030 767 E CA -1.022 55.472 56.400 0.156 0.000 0.812 767 E CB 2.449 32.252 29.700 0.170 0.000 1.313 767 E HN 0.823 nan 8.360 nan 0.000 0.456 768 L N 1.598 122.990 121.223 0.281 0.000 2.470 768 L HA 0.579 4.919 4.340 -0.001 0.000 0.268 768 L C -1.954 175.154 176.870 0.396 0.000 0.964 768 L CA -0.626 54.506 54.840 0.486 0.000 0.839 768 L CB 1.762 44.233 42.059 0.687 0.000 1.276 768 L HN 0.674 nan 8.230 nan 0.000 0.403 769 F N 5.594 125.695 119.950 0.252 0.000 2.404 769 F HA 0.662 5.189 4.527 -0.001 0.000 0.339 769 F C -1.381 174.650 175.800 0.385 0.000 1.105 769 F CA -0.217 57.811 58.000 0.047 0.000 1.087 769 F CB 1.035 39.772 39.000 -0.438 0.000 1.143 769 F HN 0.612 nan 8.300 nan 0.000 0.491 770 W N 8.655 129.571 121.300 -0.640 0.000 3.211 770 W HA 0.267 4.926 4.660 -0.001 0.000 0.335 770 W C -1.800 174.388 176.519 -0.551 0.000 1.113 770 W CA -0.642 56.495 57.345 -0.347 0.000 1.235 770 W CB 1.885 31.337 29.460 -0.014 0.000 1.365 770 W HN 0.758 nan 8.180 nan 0.000 0.476 771 D N 1.418 121.271 120.400 -0.911 0.000 2.904 771 D HA 0.149 4.789 4.640 -0.001 0.000 0.290 771 D C 0.637 176.259 176.300 -1.129 0.000 1.180 771 D CA -0.220 53.218 54.000 -0.937 0.000 1.065 771 D CB 0.091 40.534 40.800 -0.596 0.000 1.386 771 D HN 0.266 nan 8.370 nan 0.000 0.599 772 D N -1.559 118.195 120.400 -1.078 0.000 2.371 772 D HA 0.126 4.766 4.640 -0.001 0.000 0.221 772 D C 1.578 177.624 176.300 -0.423 0.000 0.986 772 D CA 1.160 54.776 54.000 -0.639 0.000 0.899 772 D CB -0.370 40.185 40.800 -0.408 0.000 0.902 772 D HN 0.891 nan 8.370 nan 0.000 0.530 773 G N 0.731 109.291 108.800 -0.400 0.000 2.179 773 G HA2 -0.355 3.604 3.960 -0.001 0.000 0.260 773 G HA3 -0.355 3.604 3.960 -0.001 0.000 0.260 773 G C 0.714 175.545 174.900 -0.115 0.000 0.977 773 G CA 0.730 45.647 45.100 -0.304 0.000 0.641 773 G HN 0.620 nan 8.290 nan 0.000 0.533 774 E N -2.129 118.014 120.200 -0.095 0.000 2.626 774 E HA 0.132 4.482 4.350 -0.001 0.000 0.194 774 E C 0.328 176.907 176.600 -0.035 0.000 0.950 774 E CA 0.401 56.779 56.400 -0.037 0.000 1.583 774 E CB -0.043 29.673 29.700 0.026 0.000 1.881 774 E HN 0.243 nan 8.360 nan 0.000 0.979 775 T N 2.409 116.931 114.554 -0.053 0.000 2.888 775 T HA 0.091 4.441 4.350 -0.001 0.000 0.301 775 T C -0.166 174.522 174.700 -0.021 0.000 1.001 775 T CA -0.043 62.041 62.100 -0.028 0.000 1.147 775 T CB 1.267 70.117 68.868 -0.031 0.000 0.931 775 T HN 0.088 nan 8.240 nan 0.000 0.541 776 K N 2.455 122.852 120.400 -0.005 0.000 2.412 776 K HA -0.011 4.309 4.320 -0.001 0.000 0.281 776 K C 0.014 176.625 176.600 0.018 0.000 1.027 776 K CA -0.058 56.226 56.287 -0.005 0.000 0.989 776 K CB 0.212 32.719 32.500 0.012 0.000 0.935 776 K HN 0.606 nan 8.250 nan 0.000 0.475 777 D N 2.126 122.539 120.400 0.022 0.000 2.870 777 D HA -0.158 4.482 4.640 -0.001 0.000 0.228 777 D C 0.875 177.241 176.300 0.111 0.000 1.147 777 D CA 1.437 55.486 54.000 0.082 0.000 0.757 777 D CB -1.310 39.538 40.800 0.080 0.000 1.091 777 D HN 0.876 nan 8.370 nan 0.000 0.429 778 T N -3.765 110.849 114.554 0.100 0.000 2.803 778 T HA -0.154 4.196 4.350 -0.001 0.000 0.269 778 T C 1.939 176.813 174.700 0.291 0.000 1.052 778 T CA 1.516 63.708 62.100 0.153 0.000 1.136 778 T CB -0.148 68.781 68.868 0.102 0.000 0.864 778 T HN 0.194 nan 8.240 nan 0.000 0.467 779 V N 1.864 121.942 119.914 0.274 0.000 2.346 779 V HA 0.082 4.202 4.120 -0.001 0.000 0.244 779 V C 3.237 179.518 176.094 0.312 0.000 1.037 779 V CA 1.334 63.824 62.300 0.317 0.000 1.029 779 V CB -1.342 30.619 31.823 0.230 0.000 0.663 779 V HN 0.645 nan 8.190 nan 0.000 0.454 780 A N 0.678 123.625 122.820 0.212 0.000 1.908 780 A HA -0.252 4.068 4.320 -0.001 0.000 0.218 780 A C 1.833 179.507 177.584 0.149 0.000 1.181 780 A CA 2.310 54.435 52.037 0.146 0.000 0.627 780 A CB -0.824 18.237 19.000 0.102 0.000 0.818 780 A HN 0.718 nan 8.150 nan 0.000 0.445 781 N N -0.385 118.408 118.700 0.156 0.000 2.383 781 N HA 0.087 4.827 4.740 -0.001 0.000 0.192 781 N C -0.508 175.090 175.510 0.146 0.000 1.141 781 N CA 0.055 53.182 53.050 0.128 0.000 0.851 781 N CB 0.064 38.611 38.487 0.100 0.000 0.976 781 N HN 0.285 nan 8.380 nan 0.000 0.465 782 K N 0.120 120.659 120.400 0.232 0.000 3.150 782 K HA -0.141 4.179 4.320 -0.001 0.000 0.267 782 K C -1.011 175.632 176.600 0.072 0.000 1.028 782 K CA 0.290 56.684 56.287 0.178 0.000 0.753 782 K CB -1.861 30.677 32.500 0.063 0.000 1.288 782 K HN 0.067 nan 8.250 nan 0.000 0.473 783 V N 1.942 121.972 119.914 0.192 0.000 2.204 783 V HA 0.327 4.447 4.120 -0.001 0.000 0.264 783 V C -0.315 175.899 176.094 0.199 0.000 1.106 783 V CA -0.457 61.926 62.300 0.139 0.000 0.947 783 V CB -0.869 31.025 31.823 0.119 0.000 1.164 783 V HN 0.362 nan 8.190 nan 0.000 0.461 784 Y N 1.969 122.303 120.300 0.056 0.000 2.656 784 Y HA 0.821 5.371 4.550 -0.001 0.000 0.334 784 Y C -1.569 174.336 175.900 0.009 0.000 1.179 784 Y CA -1.892 56.172 58.100 -0.060 0.000 1.050 784 Y CB 1.716 40.071 38.460 -0.176 0.000 1.308 784 Y HN 0.210 nan 8.280 nan 0.000 0.456 785 L N 3.008 124.322 121.223 0.152 0.000 2.317 785 L HA 0.793 5.132 4.340 -0.001 0.000 0.281 785 L C -1.729 175.252 176.870 0.184 0.000 1.024 785 L CA -0.827 54.099 54.840 0.142 0.000 0.810 785 L CB 1.533 43.719 42.059 0.211 0.000 1.240 785 L HN 0.776 nan 8.230 nan 0.000 0.427 786 L N 6.361 127.692 121.223 0.181 0.000 2.439 786 L HA 0.672 5.012 4.340 -0.001 0.000 0.270 786 L C -0.821 176.109 176.870 0.100 0.000 0.972 786 L CA -0.200 54.759 54.840 0.198 0.000 0.836 786 L CB 1.277 43.526 42.059 0.318 0.000 1.255 786 L HN 0.936 nan 8.230 nan 0.000 0.404 787 C N 1.436 120.755 119.300 0.032 0.000 2.667 787 C HA 0.957 5.417 4.460 -0.001 0.000 0.323 787 C C -0.398 174.380 174.990 -0.353 0.000 1.214 787 C CA -0.769 58.171 59.018 -0.130 0.000 1.721 787 C CB 1.480 29.142 27.740 -0.130 0.000 2.275 787 C HN 0.872 nan 8.230 nan 0.000 0.491 788 E N 0.419 120.383 120.200 -0.393 0.000 2.212 788 E HA 0.684 5.034 4.350 -0.001 0.000 0.268 788 E C -1.558 174.731 176.600 -0.518 0.000 0.902 788 E CA -0.181 55.981 56.400 -0.396 0.000 0.779 788 E CB 1.534 31.163 29.700 -0.118 0.000 1.172 788 E HN 0.560 nan 8.360 nan 0.000 0.409 789 F N 1.169 121.151 119.950 0.055 0.000 2.458 789 F HA 0.514 5.040 4.527 -0.001 0.000 0.336 789 F C 0.124 175.934 175.800 0.018 0.000 1.114 789 F CA -0.917 57.094 58.000 0.018 0.000 0.987 789 F CB 1.825 40.820 39.000 -0.008 0.000 1.130 789 F HN 0.350 nan 8.300 nan 0.000 0.458 790 S N 1.340 117.144 115.700 0.172 0.000 2.547 790 S HA 0.846 5.316 4.470 -0.001 0.000 0.281 790 S C -1.366 173.295 174.600 0.101 0.000 1.118 790 S CA -0.788 57.475 58.200 0.105 0.000 0.947 790 S CB 1.535 64.767 63.200 0.053 0.000 1.053 790 S HN 0.359 nan 8.310 nan 0.000 0.482 791 V N 3.158 123.127 119.914 0.092 0.000 2.459 791 V HA 0.749 4.869 4.120 -0.001 0.000 0.295 791 V C 0.488 176.620 176.094 0.063 0.000 1.029 791 V CA -0.283 62.082 62.300 0.108 0.000 0.874 791 V CB 1.517 33.444 31.823 0.173 0.000 0.985 791 V HN 1.188 nan 8.190 nan 0.000 0.438 792 T N 1.589 116.155 114.554 0.020 0.000 2.807 792 T HA 0.528 4.878 4.350 -0.001 0.000 0.277 792 T C -0.337 174.351 174.700 -0.019 0.000 1.006 792 T CA -0.931 61.168 62.100 -0.001 0.000 1.006 792 T CB 1.065 69.912 68.868 -0.034 0.000 1.274 792 T HN 0.498 nan 8.240 nan 0.000 0.569 793 Q N 1.581 121.371 119.800 -0.017 0.000 2.300 793 Q HA 0.170 4.510 4.340 -0.001 0.000 0.280 793 Q C 0.162 176.020 176.000 -0.237 0.000 1.033 793 Q CA 0.074 55.871 55.803 -0.010 0.000 0.903 793 Q CB 0.093 28.854 28.738 0.037 0.000 1.195 793 Q HN 0.681 nan 8.270 nan 0.000 0.386 794 N N 1.275 119.681 118.700 -0.490 0.000 2.828 794 N HA -0.204 4.536 4.740 -0.001 0.000 0.248 794 N C -0.575 174.012 175.510 -1.539 0.000 1.044 794 N CA 1.233 53.544 53.050 -1.231 0.000 0.851 794 N CB -0.551 37.569 38.487 -0.611 0.000 1.136 794 N HN 0.621 nan 8.380 nan 0.000 0.572 795 R N 0.391 120.143 120.500 -1.246 0.000 2.536 795 R HA 0.425 4.765 4.340 -0.001 0.000 0.269 795 R C -1.825 174.316 176.300 -0.264 0.000 1.113 795 R CA -0.624 55.066 56.100 -0.684 0.000 0.948 795 R CB 1.164 31.255 30.300 -0.347 0.000 1.237 795 R HN 0.067 nan 8.270 nan 0.000 0.441 796 L N 2.763 123.978 121.223 -0.013 0.000 2.341 796 L HA 0.538 4.877 4.340 -0.001 0.000 0.278 796 L C -1.071 175.863 176.870 0.106 0.000 1.005 796 L CA 0.017 54.944 54.840 0.145 0.000 0.818 796 L CB 1.877 44.093 42.059 0.262 0.000 1.259 796 L HN 0.628 nan 8.230 nan 0.000 0.418 797 E N 3.900 124.163 120.200 0.105 0.000 2.158 797 E HA 0.516 4.865 4.350 -0.001 0.000 0.271 797 E C -1.273 175.418 176.600 0.153 0.000 0.911 797 E CA -0.786 55.678 56.400 0.107 0.000 0.767 797 E CB 2.209 31.947 29.700 0.063 0.000 1.120 797 E HN 0.472 nan 8.360 nan 0.000 0.405 798 V N 4.043 124.065 119.914 0.180 0.000 2.398 798 V HA 0.337 4.456 4.120 -0.001 0.000 0.286 798 V C -0.096 176.062 176.094 0.107 0.000 1.026 798 V CA -0.759 61.656 62.300 0.192 0.000 0.868 798 V CB 1.248 33.248 31.823 0.294 0.000 0.982 798 V HN 0.606 nan 8.190 nan 0.000 0.443 799 N N 4.018 122.729 118.700 0.018 0.000 2.249 799 N HA 0.513 5.253 4.740 -0.001 0.000 0.296 799 N C -1.579 173.920 175.510 -0.018 0.000 1.051 799 N CA -0.502 52.550 53.050 0.003 0.000 0.815 799 N CB 2.208 40.689 38.487 -0.010 0.000 1.487 799 N HN 0.386 nan 8.380 nan 0.000 0.475 800 I N 2.385 122.959 120.570 0.007 0.000 2.362 800 I HA 0.183 4.352 4.170 -0.001 0.000 0.289 800 I C 1.592 177.718 176.117 0.016 0.000 0.994 800 I CA -0.316 60.993 61.300 0.015 0.000 1.158 800 I CB 1.099 39.117 38.000 0.029 0.000 1.315 800 I HN 0.630 nan 8.210 nan 0.000 0.451 801 S N 4.744 120.461 115.700 0.027 0.000 2.506 801 S HA 0.115 4.584 4.470 -0.001 0.000 0.230 801 S C 0.616 175.231 174.600 0.024 0.000 1.066 801 S CA 0.047 58.269 58.200 0.038 0.000 0.940 801 S CB 0.333 63.573 63.200 0.066 0.000 0.818 801 S HN 0.602 nan 8.310 nan 0.000 0.518 802 Q N 0.861 120.669 119.800 0.012 0.000 2.356 802 Q HA 0.678 5.018 4.340 -0.001 0.000 0.270 802 Q C -1.211 174.737 176.000 -0.086 0.000 1.058 802 Q CA -0.288 55.459 55.803 -0.093 0.000 0.802 802 Q CB 2.174 30.759 28.738 -0.255 0.000 1.303 802 Q HN 0.156 nan 8.270 nan 0.000 0.444 803 S N 2.405 118.048 115.700 -0.095 0.000 2.407 803 S HA 0.258 4.727 4.470 -0.001 0.000 0.166 803 S C -0.623 173.955 174.600 -0.038 0.000 1.445 803 S CA 0.167 58.344 58.200 -0.038 0.000 1.260 803 S CB -0.221 62.972 63.200 -0.012 0.000 1.401 803 S HN 0.718 nan 8.310 nan 0.000 0.379 804 T N -0.639 113.883 114.554 -0.053 0.000 3.228 804 T HA 0.355 4.705 4.350 -0.001 0.000 0.278 804 T C -0.538 174.227 174.700 0.110 0.000 1.014 804 T CA -0.345 61.752 62.100 -0.005 0.000 0.904 804 T CB -0.200 68.642 68.868 -0.043 0.000 1.110 804 T HN 0.438 nan 8.240 nan 0.000 0.541 805 Y N 1.229 121.518 120.300 -0.018 0.000 2.361 805 Y HA 0.607 5.157 4.550 -0.001 0.000 0.328 805 Y C -1.247 174.682 175.900 0.048 0.000 1.044 805 Y CA -1.720 56.392 58.100 0.020 0.000 1.085 805 Y CB 1.790 40.266 38.460 0.027 0.000 1.194 805 Y HN 0.069 nan 8.280 nan 0.000 0.438 806 K N 5.366 125.428 120.400 -0.562 0.000 2.425 806 K HA 0.234 4.553 4.320 -0.001 0.000 0.259 806 K C -0.949 175.211 176.600 -0.733 0.000 0.978 806 K CA -0.550 55.469 56.287 -0.447 0.000 0.883 806 K CB 0.703 33.072 32.500 -0.220 0.000 1.110 806 K HN 0.689 nan 8.250 nan 0.000 0.436 807 D N 5.736 125.824 120.400 -0.520 0.000 2.450 807 D HA -0.004 4.635 4.640 -0.001 0.000 0.247 807 D C -1.304 174.907 176.300 -0.147 0.000 1.162 807 D CA -1.248 52.611 54.000 -0.236 0.000 0.879 807 D CB 1.328 42.263 40.800 0.224 0.000 1.163 807 D HN 0.442 nan 8.370 nan 0.000 0.472 808 P HA -0.065 nan 4.420 nan 0.000 0.230 808 P C 0.188 177.468 177.300 -0.032 0.000 1.158 808 P CA 0.646 63.709 63.100 -0.060 0.000 0.769 808 P CB 0.142 31.825 31.700 -0.028 0.000 0.807 809 N N 0.209 118.902 118.700 -0.011 0.000 2.434 809 N HA -0.026 4.714 4.740 -0.001 0.000 0.196 809 N C 0.017 175.503 175.510 -0.040 0.000 1.183 809 N CA -0.126 52.916 53.050 -0.013 0.000 0.849 809 N CB -0.708 37.786 38.487 0.012 0.000 0.992 809 N HN -0.051 nan 8.380 nan 0.000 0.460 810 N N 0.852 119.519 118.700 -0.055 0.000 2.727 810 N HA -0.163 4.577 4.740 -0.001 0.000 0.251 810 N C -1.128 174.326 175.510 -0.094 0.000 1.040 810 N CA 0.362 53.373 53.050 -0.065 0.000 0.712 810 N CB -1.098 37.361 38.487 -0.046 0.000 0.912 810 N HN 0.255 nan 8.380 nan 0.000 0.545 811 L N -0.217 120.921 121.223 -0.141 0.000 2.418 811 L HA 0.714 5.053 4.340 -0.001 0.000 0.265 811 L C 0.895 177.617 176.870 -0.247 0.000 1.143 811 L CA -0.076 54.629 54.840 -0.226 0.000 0.809 811 L CB 1.219 43.063 42.059 -0.358 0.000 1.124 811 L HN 0.401 nan 8.230 nan 0.000 0.456 812 A N 1.782 124.426 122.820 -0.294 0.000 2.589 812 A HA 0.647 4.966 4.320 -0.001 0.000 0.296 812 A C -1.231 176.156 177.584 -0.328 0.000 1.062 812 A CA -0.604 51.279 52.037 -0.255 0.000 0.686 812 A CB 0.843 19.771 19.000 -0.119 0.000 1.282 812 A HN 0.421 nan 8.150 nan 0.000 0.404 813 F N 2.496 122.372 119.950 -0.124 0.000 2.506 813 F HA 0.234 4.761 4.527 -0.001 0.000 0.371 813 F C 1.605 177.329 175.800 -0.128 0.000 1.078 813 F CA 0.319 58.245 58.000 -0.123 0.000 1.195 813 F CB 0.851 39.770 39.000 -0.134 0.000 1.099 813 F HN 0.714 nan 8.300 nan 0.000 0.548 814 N N 1.293 120.016 118.700 0.039 0.000 2.171 814 N HA 0.064 4.804 4.740 -0.001 0.000 0.212 814 N C -0.428 175.079 175.510 -0.005 0.000 1.184 814 N CA 0.001 53.047 53.050 -0.005 0.000 0.888 814 N CB 0.560 39.029 38.487 -0.029 0.000 1.038 814 N HN 0.730 nan 8.380 nan 0.000 0.517 815 E N 0.243 120.453 120.200 0.017 0.000 2.352 815 E HA 0.461 4.811 4.350 -0.001 0.000 0.280 815 E C -1.679 174.909 176.600 -0.020 0.000 0.930 815 E CA -0.590 55.803 56.400 -0.012 0.000 0.765 815 E CB 1.903 31.595 29.700 -0.014 0.000 1.219 815 E HN 0.103 nan 8.360 nan 0.000 0.434 816 I N 3.594 124.125 120.570 -0.065 0.000 2.478 816 I HA 0.331 4.500 4.170 -0.001 0.000 0.287 816 I C -0.608 175.439 176.117 -0.115 0.000 1.042 816 I CA -0.720 60.519 61.300 -0.101 0.000 1.067 816 I CB 1.960 39.878 38.000 -0.136 0.000 1.233 816 I HN 0.267 nan 8.210 nan 0.000 0.431 817 K N 7.565 127.898 120.400 -0.111 0.000 2.213 817 K HA 0.656 4.976 4.320 -0.001 0.000 0.270 817 K C -1.204 175.308 176.600 -0.147 0.000 1.002 817 K CA -0.470 55.740 56.287 -0.130 0.000 0.868 817 K CB 1.175 33.594 32.500 -0.134 0.000 1.093 817 K HN 0.566 nan 8.250 nan 0.000 0.454 818 I N 6.514 126.984 120.570 -0.166 0.000 2.355 818 I HA 0.257 4.427 4.170 -0.001 0.000 0.288 818 I C -0.435 175.569 176.117 -0.188 0.000 0.999 818 I CA -0.873 60.322 61.300 -0.175 0.000 1.163 818 I CB 1.217 39.084 38.000 -0.221 0.000 1.316 818 I HN 0.407 nan 8.210 nan 0.000 0.454 819 L N 5.283 126.330 121.223 -0.292 0.000 2.343 819 L HA 0.606 4.946 4.340 -0.001 0.000 0.275 819 L C 1.094 177.716 176.870 -0.413 0.000 1.056 819 L CA -0.615 53.936 54.840 -0.481 0.000 0.804 819 L CB 1.265 42.748 42.059 -0.959 0.000 1.203 819 L HN 0.924 nan 8.230 nan 0.000 0.440 820 G N 0.961 109.683 108.800 -0.129 0.000 2.225 820 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.264 820 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.264 820 G C 0.027 175.001 174.900 0.122 0.000 1.060 820 G CA 0.439 45.651 45.100 0.186 0.000 0.833 820 G HN 0.709 nan 8.290 nan 0.000 0.498 821 T N -0.554 114.062 114.554 0.103 0.000 2.887 821 T HA 0.564 4.913 4.350 -0.001 0.000 0.288 821 T C 0.100 174.895 174.700 0.159 0.000 1.021 821 T CA -0.593 61.577 62.100 0.116 0.000 1.000 821 T CB 1.301 70.211 68.868 0.071 0.000 1.034 821 T HN 0.173 nan 8.240 nan 0.000 0.467 822 E N 1.882 122.108 120.200 0.043 0.000 2.371 822 E HA 0.130 4.479 4.350 -0.001 0.000 0.257 822 E C 0.075 176.562 176.600 -0.189 0.000 1.134 822 E CA -0.340 56.034 56.400 -0.042 0.000 0.919 822 E CB 0.555 30.103 29.700 -0.254 0.000 1.025 822 E HN 0.724 nan 8.360 nan 0.000 0.438 823 E N 2.523 122.361 120.200 -0.603 0.000 2.491 823 E HA 0.002 4.352 4.350 -0.001 0.000 0.250 823 E C -2.123 174.274 176.600 -0.339 0.000 1.061 823 E CA -1.162 54.591 56.400 -1.078 0.000 0.942 823 E CB 0.281 29.428 29.700 -0.922 0.000 0.957 823 E HN -0.010 nan 8.360 nan 0.000 0.480 824 P HA 0.113 nan 4.420 nan 0.000 0.285 824 P C -1.401 175.784 177.300 -0.191 0.000 1.259 824 P CA -0.407 62.491 63.100 -0.336 0.000 0.794 824 P CB 1.556 32.791 31.700 -0.775 0.000 0.940 825 S N 1.304 116.967 115.700 -0.062 0.000 2.632 825 S HA 0.513 4.983 4.470 -0.001 0.000 0.289 825 S C -0.489 174.126 174.600 0.025 0.000 1.115 825 S CA -0.891 57.292 58.200 -0.028 0.000 0.889 825 S CB 0.646 63.829 63.200 -0.028 0.000 1.116 825 S HN 0.407 nan 8.310 nan 0.000 0.486 826 N N -0.324 118.386 118.700 0.015 0.000 2.696 826 N HA -0.117 4.623 4.740 -0.001 0.000 0.256 826 N C -0.700 174.844 175.510 0.056 0.000 1.031 826 N CA 0.370 53.436 53.050 0.027 0.000 0.730 826 N CB -1.626 36.872 38.487 0.020 0.000 0.894 826 N HN 0.572 nan 8.380 nan 0.000 0.544 827 V N 0.610 120.559 119.914 0.059 0.000 2.572 827 V HA 0.187 4.307 4.120 -0.001 0.000 0.291 827 V C 1.114 177.253 176.094 0.076 0.000 1.039 827 V CA 0.395 62.754 62.300 0.099 0.000 1.055 827 V CB 1.457 33.314 31.823 0.056 0.000 0.969 827 V HN 0.351 nan 8.190 nan 0.000 0.482 828 T N 4.486 119.098 114.554 0.096 0.000 2.863 828 T HA 0.626 4.976 4.350 -0.001 0.000 0.285 828 T C -0.709 174.045 174.700 0.091 0.000 1.009 828 T CA -0.379 61.764 62.100 0.072 0.000 0.989 828 T CB 1.847 70.746 68.868 0.051 0.000 1.004 828 T HN 0.349 nan 8.240 nan 0.000 0.455 829 V N 3.695 123.663 119.914 0.091 0.000 2.483 829 V HA 0.495 4.614 4.120 -0.001 0.000 0.297 829 V C -0.386 175.808 176.094 0.165 0.000 1.027 829 V CA -0.873 61.504 62.300 0.127 0.000 0.855 829 V CB 1.745 33.625 31.823 0.096 0.000 0.995 829 V HN 0.716 nan 8.190 nan 0.000 0.424 830 K N 2.926 123.443 120.400 0.195 0.000 2.270 830 K HA 0.527 4.847 4.320 -0.001 0.000 0.255 830 K C -0.794 175.956 176.600 0.250 0.000 0.936 830 K CA -0.712 55.680 56.287 0.176 0.000 0.809 830 K CB 2.045 34.602 32.500 0.094 0.000 1.131 830 K HN 0.841 nan 8.250 nan 0.000 0.427 831 H N 3.895 122.986 119.070 0.036 0.000 2.685 831 H HA 0.145 4.700 4.556 -0.001 0.000 0.307 831 H C -0.535 174.698 175.328 -0.157 0.000 1.017 831 H CA -0.409 55.534 56.048 -0.175 0.000 1.237 831 H CB 0.474 30.137 29.762 -0.164 0.000 1.409 831 H HN 0.674 nan 8.280 nan 0.000 0.488 832 N N 3.997 122.585 118.700 -0.187 0.000 2.716 832 N HA -0.226 4.513 4.740 -0.001 0.000 0.250 832 N C 1.087 176.518 175.510 -0.132 0.000 1.033 832 N CA 1.492 54.423 53.050 -0.197 0.000 0.727 832 N CB -1.059 37.234 38.487 -0.323 0.000 0.950 832 N HN 1.117 nan 8.380 nan 0.000 0.541 833 G N -2.507 106.255 108.800 -0.063 0.000 2.399 833 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.216 833 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.216 833 G C 0.018 174.906 174.900 -0.020 0.000 1.096 833 G CA 0.069 45.147 45.100 -0.037 0.000 0.650 833 G HN 0.474 nan 8.290 nan 0.000 0.512 834 V N 4.002 123.894 119.914 -0.036 0.000 2.479 834 V HA 0.382 4.502 4.120 -0.001 0.000 0.281 834 V C -1.102 175.016 176.094 0.040 0.000 1.031 834 V CA -0.767 61.527 62.300 -0.009 0.000 1.038 834 V CB 0.805 32.611 31.823 -0.029 0.000 0.981 834 V HN 0.275 nan 8.190 nan 0.000 0.478 835 P HA 0.120 nan 4.420 nan 0.000 0.271 835 P C 0.424 177.768 177.300 0.074 0.000 1.238 835 P CA 0.691 63.825 63.100 0.057 0.000 0.794 835 P CB 0.344 32.066 31.700 0.036 0.000 0.959 839 S N 2.869 118.580 115.700 0.018 0.000 2.789 839 S HA 0.665 5.134 4.470 -0.001 0.000 0.286 839 S C -2.995 171.608 174.600 0.005 0.000 1.153 839 S CA -1.010 57.199 58.200 0.014 0.000 1.084 839 S CB 0.688 63.896 63.200 0.012 0.000 1.036 839 S HN 0.205 nan 8.310 nan 0.000 0.484 840 P HA 0.239 nan 4.420 nan 0.000 0.270 840 P C -0.496 176.794 177.300 -0.017 0.000 1.223 840 P CA -0.187 62.905 63.100 -0.013 0.000 0.785 840 P CB 0.424 32.112 31.700 -0.019 0.000 0.923 841 T N 0.919 115.459 114.554 -0.023 0.000 2.856 841 T HA 0.367 4.717 4.350 -0.001 0.000 0.292 841 T C -0.213 174.466 174.700 -0.035 0.000 0.980 841 T CA -0.259 61.827 62.100 -0.023 0.000 1.091 841 T CB 0.394 69.250 68.868 -0.021 0.000 0.936 841 T HN 0.036 nan 8.240 nan 0.000 0.503 842 V N 3.618 123.513 119.914 -0.032 0.000 2.487 842 V HA 0.454 4.574 4.120 -0.001 0.000 0.298 842 V C 0.122 176.211 176.094 -0.009 0.000 1.028 842 V CA -0.849 61.428 62.300 -0.039 0.000 0.860 842 V CB 2.082 33.867 31.823 -0.063 0.000 0.991 842 V HN 0.971 nan 8.190 nan 0.000 0.427 843 T N 4.613 119.166 114.554 -0.003 0.000 2.794 843 T HA 0.608 4.958 4.350 -0.001 0.000 0.280 843 T C -1.231 173.514 174.700 0.075 0.000 0.987 843 T CA -0.323 61.788 62.100 0.019 0.000 0.993 843 T CB 1.142 70.000 68.868 -0.017 0.000 0.939 843 T HN 0.559 nan 8.240 nan 0.000 0.449 844 Y N 2.104 122.366 120.300 -0.062 0.000 2.442 844 Y HA 0.461 5.011 4.550 -0.001 0.000 0.344 844 Y C -1.295 174.575 175.900 -0.049 0.000 0.976 844 Y CA -1.376 56.686 58.100 -0.063 0.000 1.040 844 Y CB 1.678 40.104 38.460 -0.056 0.000 1.228 844 Y HN 0.530 nan 8.280 nan 0.000 0.451 845 D N 3.137 123.042 120.400 -0.824 0.000 2.461 845 D HA 0.158 4.798 4.640 -0.001 0.000 0.240 845 D C 0.465 176.234 176.300 -0.885 0.000 1.094 845 D CA 0.069 53.712 54.000 -0.596 0.000 0.868 845 D CB 1.339 41.924 40.800 -0.358 0.000 1.062 845 D HN 0.654 nan 8.370 nan 0.000 0.530 846 S N 2.808 118.160 115.700 -0.580 0.000 2.428 846 S HA -0.153 4.316 4.470 -0.001 0.000 0.230 846 S C 1.587 176.092 174.600 -0.158 0.000 1.014 846 S CA 0.474 58.502 58.200 -0.288 0.000 0.957 846 S CB -0.207 63.032 63.200 0.066 0.000 0.784 846 S HN 0.620 nan 8.310 nan 0.000 0.499 847 N N 0.773 119.377 118.700 -0.159 0.000 2.084 847 N HA -0.079 4.660 4.740 -0.001 0.000 0.190 847 N C 1.177 176.624 175.510 -0.106 0.000 1.030 847 N CA 1.300 54.287 53.050 -0.104 0.000 0.849 847 N CB -0.103 38.327 38.487 -0.094 0.000 1.012 847 N HN 0.301 nan 8.380 nan 0.000 0.423 848 L N 1.144 122.275 121.223 -0.154 0.000 2.529 848 L HA 0.186 4.526 4.340 -0.001 0.000 0.223 848 L C 0.444 177.257 176.870 -0.094 0.000 1.113 848 L CA 0.676 55.449 54.840 -0.113 0.000 0.861 848 L CB -0.170 41.815 42.059 -0.124 0.000 1.012 848 L HN 0.080 nan 8.230 nan 0.000 0.461 849 K N -0.624 119.681 120.400 -0.159 0.000 3.117 849 K HA -0.127 4.193 4.320 -0.001 0.000 0.269 849 K C -0.461 176.112 176.600 -0.044 0.000 1.098 849 K CA 0.262 56.520 56.287 -0.048 0.000 0.785 849 K CB -2.598 29.946 32.500 0.075 0.000 1.242 849 K HN 0.102 nan 8.250 nan 0.000 0.491 850 V N 0.467 120.255 119.914 -0.209 0.000 2.398 850 V HA 0.662 4.782 4.120 -0.001 0.000 0.286 850 V C 0.496 176.542 176.094 -0.080 0.000 1.026 850 V CA -0.532 61.682 62.300 -0.144 0.000 0.868 850 V CB 1.801 33.522 31.823 -0.170 0.000 0.982 850 V HN 0.373 nan 8.190 nan 0.000 0.443 851 A N 6.232 129.078 122.820 0.043 0.000 2.330 851 A HA 0.912 5.232 4.320 -0.001 0.000 0.327 851 A C -0.795 176.750 177.584 -0.064 0.000 1.155 851 A CA -0.541 51.544 52.037 0.079 0.000 0.803 851 A CB 0.825 19.834 19.000 0.014 0.000 1.208 851 A HN 0.773 nan 8.150 nan 0.000 0.477 852 I N 2.808 123.341 120.570 -0.061 0.000 2.418 852 I HA 0.346 4.516 4.170 -0.001 0.000 0.287 852 I C -0.861 175.206 176.117 -0.083 0.000 1.008 852 I CA -0.227 61.022 61.300 -0.086 0.000 1.104 852 I CB 1.778 39.732 38.000 -0.076 0.000 1.264 852 I HN 0.508 nan 8.210 nan 0.000 0.438 853 I N 6.129 126.638 120.570 -0.102 0.000 2.321 853 I HA 0.395 4.565 4.170 -0.001 0.000 0.291 853 I C 0.342 176.419 176.117 -0.067 0.000 0.998 853 I CA -0.120 61.123 61.300 -0.093 0.000 1.227 853 I CB 1.590 39.516 38.000 -0.123 0.000 1.368 853 I HN 0.609 nan 8.210 nan 0.000 0.466 854 T N -0.049 114.474 114.554 -0.051 0.000 2.773 854 T HA 0.424 4.773 4.350 -0.001 0.000 0.278 854 T C -0.109 174.571 174.700 -0.034 0.000 1.011 854 T CA -0.662 61.415 62.100 -0.040 0.000 1.014 854 T CB 1.564 70.412 68.868 -0.034 0.000 1.293 854 T HN 0.577 nan 8.240 nan 0.000 0.554 855 D N -0.716 119.667 120.400 -0.029 0.000 2.699 855 D HA -0.149 4.490 4.640 -0.001 0.000 0.239 855 D C -0.759 175.524 176.300 -0.028 0.000 1.136 855 D CA 0.659 54.644 54.000 -0.025 0.000 0.668 855 D CB -1.306 39.483 40.800 -0.019 0.000 1.060 855 D HN 0.738 nan 8.370 nan 0.000 0.429 856 I N -0.050 120.498 120.570 -0.038 0.000 2.828 856 I HA 0.462 4.631 4.170 -0.001 0.000 0.302 856 I C -1.083 174.996 176.117 -0.064 0.000 1.101 856 I CA -0.781 60.487 61.300 -0.054 0.000 1.031 856 I CB 1.854 39.816 38.000 -0.065 0.000 1.231 856 I HN -0.107 nan 8.210 nan 0.000 0.427 857 D N 6.675 127.017 120.400 -0.096 0.000 2.429 857 D HA 0.304 4.944 4.640 -0.001 0.000 0.255 857 D C -1.445 174.733 176.300 -0.202 0.000 1.257 857 D CA -0.191 53.751 54.000 -0.097 0.000 0.890 857 D CB 0.609 41.377 40.800 -0.053 0.000 1.267 857 D HN 0.283 nan 8.370 nan 0.000 0.521 858 L N 3.414 124.479 121.223 -0.264 0.000 2.259 858 L HA 0.420 4.759 4.340 -0.001 0.000 0.288 858 L C 0.532 177.368 176.870 -0.056 0.000 1.051 858 L CA -0.755 53.738 54.840 -0.579 0.000 0.824 858 L CB 0.784 42.461 42.059 -0.637 0.000 1.206 858 L HN 0.129 nan 8.230 nan 0.000 0.429 859 L N 3.662 124.940 121.223 0.093 0.000 2.490 859 L HA 0.056 4.396 4.340 -0.001 0.000 0.274 859 L C 0.290 177.274 176.870 0.190 0.000 1.201 859 L CA -0.374 54.534 54.840 0.113 0.000 0.869 859 L CB 0.504 42.618 42.059 0.092 0.000 1.123 859 L HN 0.452 nan 8.230 nan 0.000 0.484 860 L N 3.456 124.692 121.223 0.022 0.000 2.462 860 L HA 0.358 4.698 4.340 -0.001 0.000 0.272 860 L C 0.932 177.847 176.870 0.076 0.000 1.166 860 L CA 1.301 56.153 54.840 0.021 0.000 0.880 860 L CB 0.563 42.465 42.059 -0.262 0.000 1.142 860 L HN 0.820 nan 8.230 nan 0.000 0.473 861 G N 2.455 111.351 108.800 0.159 0.000 2.159 861 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.227 861 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.227 861 G C 0.082 175.047 174.900 0.108 0.000 0.986 861 G CA -0.006 45.162 45.100 0.113 0.000 0.651 861 G HN 0.587 nan 8.290 nan 0.000 0.523 862 E N 0.127 120.422 120.200 0.159 0.000 2.195 862 E HA 0.678 5.028 4.350 -0.001 0.000 0.271 862 E C 0.343 176.979 176.600 0.060 0.000 0.923 862 E CA 0.027 56.474 56.400 0.078 0.000 0.790 862 E CB 1.778 31.454 29.700 -0.040 0.000 1.155 862 E HN 0.719 nan 8.360 nan 0.000 0.402 863 A N 3.210 126.010 122.820 -0.032 0.000 2.366 863 A HA 0.506 4.826 4.320 -0.001 0.000 0.272 863 A C -1.092 176.386 177.584 -0.177 0.000 1.135 863 A CA 0.027 52.059 52.037 -0.009 0.000 0.804 863 A CB 0.039 19.036 19.000 -0.006 0.000 1.064 863 A HN 0.523 nan 8.150 nan 0.000 0.499 864 Y N -0.137 120.237 120.300 0.123 0.000 2.553 864 Y HA 0.547 5.097 4.550 -0.001 0.000 0.347 864 Y C 0.329 176.277 175.900 0.080 0.000 1.019 864 Y CA -0.456 57.711 58.100 0.111 0.000 1.032 864 Y CB 2.687 41.192 38.460 0.075 0.000 1.284 864 Y HN 0.576 nan 8.280 nan 0.000 0.466 865 T N 2.281 116.980 114.554 0.241 0.000 2.824 865 T HA 0.624 4.973 4.350 -0.001 0.000 0.282 865 T C -1.179 173.612 174.700 0.153 0.000 0.993 865 T CA -0.665 61.523 62.100 0.147 0.000 0.967 865 T CB 1.246 70.158 68.868 0.073 0.000 0.960 865 T HN 0.300 nan 8.240 nan 0.000 0.441 866 V N 3.560 123.555 119.914 0.135 0.000 2.487 866 V HA 0.522 4.641 4.120 -0.001 0.000 0.298 866 V C -0.243 175.939 176.094 0.147 0.000 1.028 866 V CA -0.741 61.659 62.300 0.167 0.000 0.860 866 V CB 1.757 33.697 31.823 0.195 0.000 0.991 866 V HN 0.863 nan 8.190 nan 0.000 0.427 867 E N 3.700 123.977 120.200 0.128 0.000 2.317 867 E HA 0.670 5.020 4.350 -0.001 0.000 0.270 867 E C -1.635 175.037 176.600 0.119 0.000 0.885 867 E CA -0.730 55.631 56.400 -0.066 0.000 0.760 867 E CB 2.890 32.526 29.700 -0.108 0.000 1.227 867 E HN 0.714 nan 8.360 nan 0.000 0.434 868 W N 0.634 121.869 121.300 -0.109 0.000 3.118 868 W HA 0.785 5.444 4.660 -0.001 0.000 0.328 868 W C -1.414 174.970 176.519 -0.226 0.000 1.239 868 W CA -0.984 56.263 57.345 -0.163 0.000 1.176 868 W CB 0.409 29.747 29.460 -0.203 0.000 1.433 868 W HN 0.542 nan 8.180 nan 0.000 0.562 869 A N 1.925 124.749 122.820 0.007 0.000 2.256 869 A HA 0.764 5.084 4.320 -0.001 0.000 0.318 869 A C -0.667 176.850 177.584 -0.111 0.000 1.103 869 A CA -0.439 51.553 52.037 -0.075 0.000 0.860 869 A CB 0.542 19.531 19.000 -0.018 0.000 1.182 869 A HN 0.796 nan 8.150 nan 0.000 0.501 870 H N 0.000 119.125 119.070 0.091 0.000 2.539 870 H HA 0.000 4.556 4.556 -0.001 0.000 0.296 870 H CA 0.000 56.085 56.048 0.061 0.000 1.023 870 H CB 0.000 29.801 29.762 0.065 0.000 1.292 870 H HN 0.000 nan 8.280 nan 0.000 0.496