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 2xr1_1_A DATA FIRST_RESID 3 DATA SEQUENCE IEDVLLDLKH KIEKNLPAGV TITDVEFEGP QLVLYTEEPR KFADDGNIIR DATA SEQUENCE NLAKELRTRI AMRPDPRVLA TPEDSISIIE EVVPKESVIS SYYFDPDSGE DATA SEQUENCE VIIEAEKPGL VIGKHGATLR EITKQIGWIP KVVRTPPIKS RTVKNIREFM DATA SEQUENCE RNNLKERKEI LKTVGRKIHR ECTSKDQWVR VTALGGCKEV GRSCFLLSTP DATA SEQUENCE ESRILIDCGV NVGSDENMTP YLYVPEVFPL NQIDAVIVTH AHLDHQGLVP DATA SEQUENCE LLFKYGYEGP VYCTPPTRDL MVLLQLDYID VAAKEGKKIP YESGMVAKTL DATA SEQUENCE KHTIPLDYEE VTDIAPDIKL TFHNAGHILG SAISHFHIGD GLHNVVFTGD DATA SEQUENCE YKYEKTRLFD PAVNKFPRVE TVISEATYGN ANAFQPALKD AEKHLQMVVX DATA SEQUENCE XXXXXXXIAV IPAFAVGRSQ EVMIVLEESI RKGLIPEVPV YLDGMIWEAT DATA SEQUENCE AIHATHPEYL NNDLRKLIXX XXXXPFLSEC FKPVDXHEAR QKIXXXXQPC DATA SEQUENCE VILATSGMMN GGPVMEYFKA FAEDPRNTLV FVGYQADGTI GRRIQKGWKE DATA SEQUENCE XXXXXXXXXX XMLKMNMEVQ VVDGFSGHSD RRQLMEYVKR MQPRPERVFT DATA SEQUENCE EHGDEKACVD LASSVYKKLK IETRALTNLE TVRLL 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 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.140 176.117 0.038 0.000 1.063 3 I CA 0.000 61.334 61.300 0.057 0.000 1.566 3 I CB 0.000 38.047 38.000 0.079 0.000 1.214 4 E N 1.530 121.739 120.200 0.014 0.000 2.136 4 E HA -0.354 4.724 4.350 1.213 0.000 0.208 4 E C 1.534 178.115 176.600 -0.031 0.000 1.035 4 E CA 2.112 58.502 56.400 -0.016 0.000 0.838 4 E CB -0.125 29.565 29.700 -0.017 0.000 0.748 4 E HN 0.868 nan 8.360 nan 0.000 0.459 5 D N -0.309 120.084 120.400 -0.011 0.000 2.218 5 D HA -0.132 5.236 4.640 1.213 0.000 0.204 5 D C 2.059 178.351 176.300 -0.013 0.000 0.976 5 D CA 1.224 55.217 54.000 -0.012 0.000 0.853 5 D CB -0.234 40.571 40.800 0.008 0.000 0.939 5 D HN 0.287 nan 8.370 nan 0.000 0.481 6 V N -1.517 118.400 119.914 0.005 0.000 2.788 6 V HA 0.010 4.858 4.120 1.213 0.000 0.251 6 V C 2.143 178.221 176.094 -0.026 0.000 1.068 6 V CA 0.644 62.956 62.300 0.020 0.000 1.090 6 V CB -0.630 31.239 31.823 0.076 0.000 0.710 6 V HN 0.075 nan 8.190 nan 0.000 0.467 7 L N -0.762 120.418 121.223 -0.072 0.000 2.109 7 L HA -0.011 5.057 4.340 1.213 0.000 0.207 7 L C 2.542 179.302 176.870 -0.184 0.000 1.086 7 L CA 1.135 55.871 54.840 -0.173 0.000 0.760 7 L CB -0.403 41.539 42.059 -0.195 0.000 0.910 7 L HN 0.320 nan 8.230 nan 0.000 0.437 8 L N -0.228 120.888 121.223 -0.178 0.000 2.017 8 L HA -0.258 4.810 4.340 1.213 0.000 0.208 8 L C 2.362 179.051 176.870 -0.302 0.000 1.073 8 L CA 1.763 56.415 54.840 -0.313 0.000 0.745 8 L CB -0.680 41.208 42.059 -0.284 0.000 0.894 8 L HN 0.269 nan 8.230 nan 0.000 0.432 9 D N -0.535 119.794 120.400 -0.119 0.000 2.182 9 D HA -0.210 5.158 4.640 1.213 0.000 0.201 9 D C 2.324 178.609 176.300 -0.024 0.000 0.986 9 D CA 1.111 55.099 54.000 -0.020 0.000 0.847 9 D CB 0.175 40.985 40.800 0.016 0.000 0.942 9 D HN 0.290 nan 8.370 nan 0.000 0.467 10 L N 0.545 121.729 121.223 -0.066 0.000 2.005 10 L HA -0.144 4.924 4.340 1.213 0.000 0.207 10 L C 2.707 179.538 176.870 -0.065 0.000 1.072 10 L CA 1.199 56.002 54.840 -0.062 0.000 0.744 10 L CB -0.302 41.692 42.059 -0.109 0.000 0.895 10 L HN -0.048 nan 8.230 nan 0.000 0.433 11 K N -0.573 119.752 120.400 -0.125 0.000 1.977 11 K HA -0.287 4.761 4.320 1.213 0.000 0.218 11 K C 2.001 178.597 176.600 -0.008 0.000 1.051 11 K CA 2.291 58.513 56.287 -0.108 0.000 0.953 11 K CB -0.414 31.969 32.500 -0.195 0.000 0.727 11 K HN 0.431 nan 8.250 nan 0.000 0.445 12 H N -0.251 118.811 119.070 -0.013 0.000 2.394 12 H HA -0.151 5.133 4.556 1.213 0.000 0.297 12 H C 2.270 177.597 175.328 -0.002 0.000 1.113 12 H CA 1.600 57.644 56.048 -0.006 0.000 1.277 12 H CB 0.088 29.847 29.762 -0.006 0.000 1.370 12 H HN 0.260 nan 8.280 nan 0.000 0.506 13 K N 0.798 121.267 120.400 0.115 0.000 2.001 13 K HA -0.127 4.921 4.320 1.213 0.000 0.208 13 K C 2.058 178.687 176.600 0.048 0.000 1.048 13 K CA 1.318 57.644 56.287 0.066 0.000 0.932 13 K CB -0.015 32.511 32.500 0.043 0.000 0.715 13 K HN 0.187 nan 8.250 nan 0.000 0.437 14 I N 1.324 121.917 120.570 0.039 0.000 2.361 14 I HA -0.247 4.651 4.170 1.213 0.000 0.251 14 I C 1.934 178.078 176.117 0.045 0.000 1.133 14 I CA 1.312 62.634 61.300 0.036 0.000 1.413 14 I CB -0.131 37.887 38.000 0.030 0.000 1.073 14 I HN 0.229 nan 8.210 nan 0.000 0.424 15 E N 0.728 120.963 120.200 0.058 0.000 2.204 15 E HA -0.189 4.888 4.350 1.213 0.000 0.194 15 E C 1.975 178.597 176.600 0.037 0.000 0.989 15 E CA 0.719 57.153 56.400 0.057 0.000 0.824 15 E CB -0.004 29.745 29.700 0.081 0.000 0.756 15 E HN 0.474 nan 8.360 nan 0.000 0.477 16 K N 0.969 121.390 120.400 0.035 0.000 2.148 16 K HA -0.097 4.951 4.320 1.213 0.000 0.204 16 K C 1.571 178.178 176.600 0.011 0.000 1.050 16 K CA 1.296 57.595 56.287 0.019 0.000 0.942 16 K CB -0.097 32.415 32.500 0.020 0.000 0.724 16 K HN 0.174 nan 8.250 nan 0.000 0.446 17 N N 0.359 119.067 118.700 0.014 0.000 2.282 17 N HA 0.009 5.477 4.740 1.213 0.000 0.185 17 N C 0.580 176.086 175.510 -0.006 0.000 1.099 17 N CA -0.084 52.969 53.050 0.004 0.000 0.878 17 N CB -0.284 38.208 38.487 0.008 0.000 0.993 17 N HN -0.025 nan 8.380 nan 0.000 0.481 18 L N 1.733 122.955 121.223 -0.002 0.000 2.506 18 L HA 0.155 5.223 4.340 1.213 0.000 0.281 18 L C -1.645 175.201 176.870 -0.039 0.000 1.228 18 L CA -1.255 53.570 54.840 -0.025 0.000 0.850 18 L CB -0.059 41.996 42.059 -0.006 0.000 1.110 18 L HN 0.109 nan 8.230 nan 0.000 0.496 19 P HA 0.113 nan 4.420 nan 0.000 0.272 19 P C -0.721 176.548 177.300 -0.051 0.000 1.230 19 P CA -0.563 62.501 63.100 -0.061 0.000 0.788 19 P CB 0.567 32.218 31.700 -0.082 0.000 0.949 20 A N 1.176 123.973 122.820 -0.037 0.000 2.587 20 A HA 0.346 5.394 4.320 1.213 0.000 0.235 20 A C 1.533 179.097 177.584 -0.034 0.000 1.044 20 A CA 1.021 53.041 52.037 -0.028 0.000 0.754 20 A CB -1.489 17.497 19.000 -0.022 0.000 0.968 20 A HN 0.943 nan 8.150 nan 0.000 0.509 21 G N 0.596 109.382 108.800 -0.023 0.000 2.241 21 G HA2 -0.171 4.517 3.960 1.213 0.000 0.244 21 G HA3 -0.171 4.517 3.960 1.213 0.000 0.244 21 G C 0.211 175.101 174.900 -0.018 0.000 0.998 21 G CA 0.168 45.257 45.100 -0.019 0.000 0.621 21 G HN 1.593 nan 8.290 nan 0.000 0.519 22 V N 2.618 122.511 119.914 -0.035 0.000 2.370 22 V HA 0.711 5.559 4.120 1.213 0.000 0.279 22 V C 0.606 176.723 176.094 0.038 0.000 1.029 22 V CA 0.338 62.616 62.300 -0.037 0.000 0.870 22 V CB 1.266 32.981 31.823 -0.179 0.000 0.984 22 V HN 0.833 nan 8.190 nan 0.000 0.451 23 T N 3.056 117.675 114.554 0.109 0.000 2.916 23 T HA 0.864 5.942 4.350 1.213 0.000 0.292 23 T C -0.599 174.203 174.700 0.170 0.000 1.055 23 T CA -0.745 61.423 62.100 0.113 0.000 1.009 23 T CB 2.169 71.080 68.868 0.072 0.000 1.118 23 T HN 0.638 nan 8.240 nan 0.000 0.497 24 I N -1.147 119.494 120.570 0.118 0.000 2.785 24 I HA 0.673 5.571 4.170 1.213 0.000 0.302 24 I C 0.850 176.995 176.117 0.045 0.000 1.069 24 I CA -1.125 60.223 61.300 0.080 0.000 1.045 24 I CB 2.358 40.397 38.000 0.064 0.000 1.236 24 I HN 0.844 nan 8.210 nan 0.000 0.429 25 T N -0.045 114.529 114.554 0.033 0.000 3.031 25 T HA 0.250 5.328 4.350 1.213 0.000 0.236 25 T C 0.187 174.890 174.700 0.005 0.000 1.005 25 T CA 0.567 62.675 62.100 0.013 0.000 1.230 25 T CB -0.339 68.526 68.868 -0.005 0.000 0.913 25 T HN 0.692 nan 8.240 nan 0.000 0.419 26 D N -0.390 120.034 120.400 0.041 0.000 2.433 26 D HA 0.679 6.047 4.640 1.213 0.000 0.236 26 D C -1.648 174.691 176.300 0.066 0.000 1.026 26 D CA -0.448 53.570 54.000 0.030 0.000 0.884 26 D CB 2.790 43.582 40.800 -0.013 0.000 1.384 26 D HN 0.148 nan 8.370 nan 0.000 0.477 27 V N 2.334 122.228 119.914 -0.033 0.000 2.443 27 V HA 0.410 5.258 4.120 1.213 0.000 0.293 27 V C -0.740 175.242 176.094 -0.187 0.000 1.021 27 V CA -0.488 61.739 62.300 -0.122 0.000 0.848 27 V CB 1.534 33.249 31.823 -0.181 0.000 0.998 27 V HN 0.423 nan 8.190 nan 0.000 0.424 28 E N 3.354 123.449 120.200 -0.175 0.000 2.317 28 E HA 0.487 5.565 4.350 1.213 0.000 0.270 28 E C -1.393 175.064 176.600 -0.239 0.000 0.885 28 E CA -0.641 55.658 56.400 -0.168 0.000 0.760 28 E CB 2.518 32.257 29.700 0.066 0.000 1.227 28 E HN 0.402 nan 8.360 nan 0.000 0.434 29 F N 1.529 121.446 119.950 -0.055 0.000 2.444 29 F HA 0.206 5.463 4.527 1.218 0.000 0.360 29 F C 0.833 176.647 175.800 0.023 0.000 1.106 29 F CA -0.136 57.822 58.000 -0.070 0.000 1.170 29 F CB 0.576 39.542 39.000 -0.056 0.000 1.113 29 F HN 0.112 nan 8.300 nan 0.000 0.521 30 E N 2.251 122.578 120.200 0.211 0.000 2.182 30 E HA 0.490 5.568 4.350 1.213 0.000 0.258 30 E C 0.693 177.398 176.600 0.175 0.000 0.879 30 E CA -0.431 56.066 56.400 0.161 0.000 0.754 30 E CB 1.526 31.290 29.700 0.107 0.000 1.162 30 E HN 0.793 nan 8.360 nan 0.000 0.419 31 G N 4.895 113.800 108.800 0.175 0.000 2.614 31 G HA2 -0.305 4.383 3.960 1.213 0.000 0.303 31 G HA3 -0.305 4.383 3.960 1.213 0.000 0.303 31 G C -1.696 173.342 174.900 0.231 0.000 1.270 31 G CA -0.167 45.047 45.100 0.190 0.000 0.988 31 G HN 0.526 nan 8.290 nan 0.000 0.551 32 P HA 0.115 nan 4.420 nan 0.000 0.237 32 P C 0.758 178.213 177.300 0.259 0.000 1.178 32 P CA 1.004 64.210 63.100 0.176 0.000 0.766 32 P CB 0.128 31.886 31.700 0.097 0.000 0.876 33 Q N -0.549 119.395 119.800 0.241 0.000 2.226 33 Q HA 0.423 5.491 4.340 1.213 0.000 0.256 33 Q C -0.721 175.395 176.000 0.193 0.000 0.962 33 Q CA -1.156 54.763 55.803 0.193 0.000 0.887 33 Q CB 1.321 30.117 28.738 0.096 0.000 1.282 33 Q HN -0.070 nan 8.270 nan 0.000 0.449 34 L N 1.770 123.058 121.223 0.107 0.000 2.292 34 L HA 0.377 5.445 4.340 1.213 0.000 0.284 34 L C -1.235 175.583 176.870 -0.086 0.000 1.065 34 L CA -0.210 54.621 54.840 -0.014 0.000 0.806 34 L CB 1.380 43.414 42.059 -0.042 0.000 1.175 34 L HN 0.367 nan 8.230 nan 0.000 0.431 35 V N 6.530 126.344 119.914 -0.168 0.000 2.487 35 V HA 0.416 5.264 4.120 1.213 0.000 0.298 35 V C -0.188 175.696 176.094 -0.351 0.000 1.028 35 V CA -0.645 61.487 62.300 -0.280 0.000 0.860 35 V CB 1.733 33.347 31.823 -0.348 0.000 0.991 35 V HN 0.581 nan 8.190 nan 0.000 0.427 36 L N 5.400 126.400 121.223 -0.371 0.000 2.264 36 L HA 0.529 5.597 4.340 1.213 0.000 0.289 36 L C -0.891 175.695 176.870 -0.473 0.000 1.044 36 L CA -0.548 54.097 54.840 -0.324 0.000 0.807 36 L CB 0.684 42.592 42.059 -0.252 0.000 1.192 36 L HN 0.510 nan 8.230 nan 0.000 0.425 37 Y N 1.517 121.701 120.300 -0.192 0.000 2.310 37 Y HA 0.466 5.743 4.550 1.213 0.000 0.326 37 Y C 0.694 176.482 175.900 -0.186 0.000 1.151 37 Y CA -0.041 57.944 58.100 -0.191 0.000 1.195 37 Y CB 1.948 40.319 38.460 -0.148 0.000 1.210 37 Y HN 0.459 nan 8.280 nan 0.000 0.483 38 T N 1.626 116.163 114.554 -0.029 0.000 2.923 38 T HA 0.265 5.343 4.350 1.213 0.000 0.311 38 T C 0.041 174.733 174.700 -0.012 0.000 1.183 38 T CA -0.640 61.435 62.100 -0.043 0.000 1.020 38 T CB 1.036 69.816 68.868 -0.147 0.000 1.165 38 T HN 0.784 nan 8.240 nan 0.000 0.482 39 E N 1.562 121.771 120.200 0.014 0.000 2.479 39 E HA 0.106 5.184 4.350 1.213 0.000 0.193 39 E C 0.012 176.628 176.600 0.027 0.000 1.049 39 E CA 0.276 56.680 56.400 0.007 0.000 0.870 39 E CB 0.427 30.130 29.700 0.004 0.000 0.944 39 E HN 0.593 nan 8.360 nan 0.000 0.492 40 E N 0.841 121.079 120.200 0.064 0.000 4.044 40 E HA 0.072 5.150 4.350 1.213 0.000 0.216 40 E C -2.055 174.640 176.600 0.159 0.000 1.104 40 E CA -1.212 55.246 56.400 0.098 0.000 1.383 40 E CB 0.797 30.564 29.700 0.112 0.000 1.195 40 E HN 0.091 nan 8.360 nan 0.000 0.442 41 P HA -0.256 nan 4.420 nan 0.000 0.217 41 P C 1.402 178.796 177.300 0.157 0.000 1.148 41 P CA 0.996 64.151 63.100 0.091 0.000 0.828 41 P CB 0.240 31.942 31.700 0.004 0.000 0.783 42 R N 0.898 121.464 120.500 0.110 0.000 2.117 42 R HA -0.150 4.918 4.340 1.213 0.000 0.243 42 R C 2.198 178.558 176.300 0.099 0.000 1.143 42 R CA 1.720 57.873 56.100 0.089 0.000 0.968 42 R CB -0.235 30.100 30.300 0.060 0.000 0.863 42 R HN 0.185 nan 8.270 nan 0.000 0.444 43 K N -0.847 119.623 120.400 0.117 0.000 2.211 43 K HA -0.121 4.927 4.320 1.213 0.000 0.203 43 K C 1.769 178.359 176.600 -0.017 0.000 1.050 43 K CA 1.249 57.556 56.287 0.032 0.000 0.945 43 K CB -0.057 32.437 32.500 -0.010 0.000 0.732 43 K HN 0.162 nan 8.250 nan 0.000 0.451 44 F N 0.484 120.430 119.950 -0.007 0.000 2.512 44 F HA 0.062 5.317 4.527 1.213 0.000 0.296 44 F C 2.302 178.099 175.800 -0.005 0.000 1.110 44 F CA 0.466 58.461 58.000 -0.010 0.000 1.446 44 F CB -0.235 38.754 39.000 -0.018 0.000 1.092 44 F HN -0.028 nan 8.300 nan 0.000 0.554 45 A N -0.212 122.714 122.820 0.176 0.000 1.968 45 A HA -0.122 4.925 4.320 1.213 0.000 0.217 45 A C 1.926 179.546 177.584 0.061 0.000 1.169 45 A CA 1.763 53.860 52.037 0.101 0.000 0.638 45 A CB -0.520 18.528 19.000 0.080 0.000 0.812 45 A HN 0.200 nan 8.150 nan 0.000 0.446 46 D N -0.173 120.252 120.400 0.041 0.000 2.137 46 D HA -0.034 5.334 4.640 1.213 0.000 0.202 46 D C -0.082 176.215 176.300 -0.006 0.000 0.970 46 D CA 0.961 54.968 54.000 0.012 0.000 0.837 46 D CB -0.079 40.720 40.800 -0.001 0.000 0.981 46 D HN 0.304 nan 8.370 nan 0.000 0.475 47 D N -0.603 119.780 120.400 -0.028 0.000 2.472 47 D HA 0.280 5.648 4.640 1.213 0.000 0.234 47 D C 1.121 177.404 176.300 -0.029 0.000 1.088 47 D CA -0.437 53.534 54.000 -0.048 0.000 0.882 47 D CB 1.141 41.881 40.800 -0.100 0.000 1.037 47 D HN 0.001 nan 8.370 nan 0.000 0.520 48 G N 3.013 111.815 108.800 0.004 0.000 2.484 48 G HA2 -0.209 4.479 3.960 1.213 0.000 0.218 48 G HA3 -0.209 4.479 3.960 1.213 0.000 0.218 48 G C 1.368 176.279 174.900 0.018 0.000 1.130 48 G CA -0.016 45.101 45.100 0.029 0.000 0.784 48 G HN 0.380 nan 8.290 nan 0.000 0.543 49 N N 0.710 119.406 118.700 -0.006 0.000 2.364 49 N HA -0.038 5.430 4.740 1.213 0.000 0.183 49 N C 2.020 177.521 175.510 -0.015 0.000 1.022 49 N CA 0.444 53.488 53.050 -0.009 0.000 0.883 49 N CB -0.073 38.403 38.487 -0.018 0.000 0.965 49 N HN 0.395 nan 8.380 nan 0.000 0.438 50 I N 0.485 121.031 120.570 -0.041 0.000 2.110 50 I HA -0.216 4.682 4.170 1.213 0.000 0.236 50 I C 1.882 178.018 176.117 0.030 0.000 1.068 50 I CA 0.823 62.088 61.300 -0.059 0.000 1.333 50 I CB -0.180 37.689 38.000 -0.218 0.000 1.054 50 I HN 0.013 nan 8.210 nan 0.000 0.402 51 I N 0.768 121.400 120.570 0.103 0.000 2.226 51 I HA -0.240 4.658 4.170 1.213 0.000 0.245 51 I C 2.669 178.826 176.117 0.066 0.000 1.100 51 I CA 1.617 62.989 61.300 0.120 0.000 1.374 51 I CB -1.216 36.875 38.000 0.151 0.000 1.057 51 I HN 0.258 nan 8.210 nan 0.000 0.413 52 R N 0.367 120.898 120.500 0.051 0.000 2.120 52 R HA -0.134 4.934 4.340 1.213 0.000 0.234 52 R C 1.984 178.302 176.300 0.030 0.000 1.123 52 R CA 1.016 57.138 56.100 0.037 0.000 0.975 52 R CB -0.187 30.131 30.300 0.029 0.000 0.866 52 R HN 0.460 nan 8.270 nan 0.000 0.446 53 N N 0.640 119.356 118.700 0.026 0.000 2.171 53 N HA -0.123 5.345 4.740 1.213 0.000 0.184 53 N C 1.714 177.240 175.510 0.027 0.000 1.021 53 N CA 0.802 53.864 53.050 0.021 0.000 0.854 53 N CB -0.101 38.393 38.487 0.011 0.000 0.994 53 N HN 0.068 nan 8.380 nan 0.000 0.426 54 L N 1.536 122.780 121.223 0.034 0.000 2.046 54 L HA -0.046 5.022 4.340 1.213 0.000 0.208 54 L C 2.210 179.105 176.870 0.040 0.000 1.077 54 L CA 1.336 56.199 54.840 0.038 0.000 0.747 54 L CB -0.927 41.161 42.059 0.049 0.000 0.896 54 L HN 0.082 nan 8.230 nan 0.000 0.432 55 A N -0.555 122.291 122.820 0.043 0.000 1.851 55 A HA -0.283 4.765 4.320 1.213 0.000 0.216 55 A C 2.313 179.923 177.584 0.044 0.000 1.195 55 A CA 2.217 54.282 52.037 0.046 0.000 0.622 55 A CB -0.570 18.456 19.000 0.044 0.000 0.831 55 A HN 0.465 nan 8.150 nan 0.000 0.444 56 K N -0.825 119.597 120.400 0.037 0.000 2.209 56 K HA -0.140 4.908 4.320 1.213 0.000 0.204 56 K C 2.021 178.641 176.600 0.033 0.000 1.048 56 K CA 1.450 57.757 56.287 0.033 0.000 0.940 56 K CB -0.059 32.457 32.500 0.027 0.000 0.729 56 K HN 0.561 nan 8.250 nan 0.000 0.451 57 E N 0.864 121.084 120.200 0.033 0.000 2.046 57 E HA -0.059 5.019 4.350 1.213 0.000 0.190 57 E C 1.351 177.974 176.600 0.038 0.000 0.982 57 E CA 0.900 57.319 56.400 0.032 0.000 0.800 57 E CB 0.156 29.873 29.700 0.029 0.000 0.756 57 E HN 0.169 nan 8.360 nan 0.000 0.449 58 L N -1.251 119.999 121.223 0.046 0.000 2.592 58 L HA 0.272 5.340 4.340 1.213 0.000 0.227 58 L C 1.519 178.430 176.870 0.068 0.000 1.127 58 L CA 0.511 55.386 54.840 0.059 0.000 0.884 58 L CB -0.214 41.885 42.059 0.067 0.000 1.065 58 L HN 0.180 nan 8.230 nan 0.000 0.457 59 R N -0.242 120.293 120.500 0.058 0.000 3.954 59 R HA -0.197 4.871 4.340 1.213 0.000 0.422 59 R C 0.526 176.868 176.300 0.070 0.000 1.091 59 R CA 1.348 57.483 56.100 0.058 0.000 1.168 59 R CB -3.392 26.939 30.300 0.052 0.000 1.752 59 R HN 0.528 nan 8.270 nan 0.000 0.547 60 T N -2.576 112.030 114.554 0.086 0.000 2.893 60 T HA 0.687 5.765 4.350 1.213 0.000 0.293 60 T C -0.065 174.694 174.700 0.098 0.000 1.027 60 T CA -0.459 61.710 62.100 0.115 0.000 0.988 60 T CB 1.648 70.632 68.868 0.194 0.000 1.043 60 T HN 0.629 nan 8.240 nan 0.000 0.461 61 R N 1.706 122.263 120.500 0.096 0.000 2.585 61 R HA 0.392 5.459 4.340 1.213 0.000 0.275 61 R C -0.323 176.019 176.300 0.070 0.000 1.018 61 R CA 0.383 56.527 56.100 0.073 0.000 1.072 61 R CB 0.084 30.425 30.300 0.067 0.000 0.953 61 R HN 0.599 nan 8.270 nan 0.000 0.419 62 I N 1.865 122.460 120.570 0.041 0.000 2.533 62 I HA 0.430 5.328 4.170 1.213 0.000 0.290 62 I C -0.498 175.613 176.117 -0.011 0.000 1.056 62 I CA -0.818 60.489 61.300 0.012 0.000 1.057 62 I CB 2.177 40.185 38.000 0.013 0.000 1.240 62 I HN 0.606 nan 8.210 nan 0.000 0.423 63 A N 6.228 129.014 122.820 -0.056 0.000 2.355 63 A HA 0.907 5.955 4.320 1.213 0.000 0.324 63 A C -0.524 176.942 177.584 -0.196 0.000 1.117 63 A CA -0.628 51.353 52.037 -0.093 0.000 0.785 63 A CB 1.698 20.649 19.000 -0.082 0.000 1.254 63 A HN 0.744 nan 8.150 nan 0.000 0.453 64 M N 1.523 120.981 119.600 -0.236 0.000 2.423 64 M HA 0.831 6.039 4.480 1.213 0.000 0.335 64 M C -0.230 175.839 176.300 -0.386 0.000 1.177 64 M CA 0.022 55.068 55.300 -0.424 0.000 1.038 64 M CB 1.281 33.478 32.600 -0.672 0.000 1.641 64 M HN 0.682 nan 8.290 nan 0.000 0.455 65 R N 0.563 120.779 120.500 -0.474 0.000 2.739 65 R HA 0.767 5.835 4.340 1.213 0.000 0.271 65 R C -3.185 172.995 176.300 -0.199 0.000 1.010 65 R CA -2.083 53.820 56.100 -0.327 0.000 0.897 65 R CB 0.431 30.548 30.300 -0.306 0.000 1.236 65 R HN 0.366 nan 8.270 nan 0.000 0.466 66 P HA 0.021 nan 4.420 nan 0.000 0.271 66 P C -0.877 176.439 177.300 0.027 0.000 1.216 66 P CA -0.023 63.027 63.100 -0.083 0.000 0.771 66 P CB 0.489 32.089 31.700 -0.168 0.000 0.864 67 D N 4.527 124.940 120.400 0.022 0.000 2.493 67 D HA -0.028 5.340 4.640 1.213 0.000 0.240 67 D C -1.186 175.033 176.300 -0.136 0.000 1.142 67 D CA -1.001 52.972 54.000 -0.045 0.000 0.872 67 D CB 0.385 41.148 40.800 -0.061 0.000 1.173 67 D HN 0.240 nan 8.370 nan 0.000 0.467 68 P HA -0.186 nan 4.420 nan 0.000 0.218 68 P C 0.827 178.032 177.300 -0.158 0.000 1.146 68 P CA 1.196 64.171 63.100 -0.209 0.000 0.820 68 P CB 0.155 31.729 31.700 -0.210 0.000 0.778 69 R N -0.570 119.851 120.500 -0.131 0.000 2.241 69 R HA -0.051 5.017 4.340 1.213 0.000 0.224 69 R C 1.402 177.655 176.300 -0.079 0.000 1.101 69 R CA 1.257 57.301 56.100 -0.093 0.000 0.995 69 R CB -0.543 29.709 30.300 -0.079 0.000 0.870 69 R HN 0.240 nan 8.270 nan 0.000 0.463 70 V N -2.234 117.624 119.914 -0.093 0.000 3.271 70 V HA 0.312 5.160 4.120 1.213 0.000 0.327 70 V C 0.260 176.288 176.094 -0.111 0.000 1.389 70 V CA -0.181 62.073 62.300 -0.077 0.000 1.156 70 V CB -0.030 31.759 31.823 -0.057 0.000 1.103 70 V HN 0.013 nan 8.190 nan 0.000 0.453 71 L N 2.313 123.437 121.223 -0.164 0.000 2.282 71 L HA 0.819 5.887 4.340 1.213 0.000 0.288 71 L C 0.797 177.634 176.870 -0.055 0.000 1.033 71 L CA -0.349 54.335 54.840 -0.259 0.000 0.807 71 L CB 1.630 43.387 42.059 -0.503 0.000 1.209 71 L HN 0.384 nan 8.230 nan 0.000 0.423 72 A N 2.344 125.226 122.820 0.104 0.000 2.366 72 A HA 0.433 5.480 4.320 1.213 0.000 0.249 72 A C 0.493 178.214 177.584 0.229 0.000 1.084 72 A CA -0.277 51.855 52.037 0.160 0.000 0.794 72 A CB 0.312 19.416 19.000 0.174 0.000 1.034 72 A HN 0.743 nan 8.150 nan 0.000 0.491 73 T N -0.311 114.282 114.554 0.065 0.000 2.900 73 T HA 0.298 5.375 4.350 1.213 0.000 0.307 73 T C -1.940 172.630 174.700 -0.217 0.000 1.065 73 T CA -0.922 61.157 62.100 -0.034 0.000 1.105 73 T CB 0.476 69.303 68.868 -0.070 0.000 0.979 73 T HN 0.358 nan 8.240 nan 0.000 0.544 74 P HA -0.157 nan 4.420 nan 0.000 0.216 74 P C 1.562 178.518 177.300 -0.572 0.000 1.150 74 P CA 1.098 63.507 63.100 -1.152 0.000 0.843 74 P CB 0.080 31.025 31.700 -1.259 0.000 0.787 75 E N -0.654 119.350 120.200 -0.327 0.000 2.152 75 E HA -0.137 4.941 4.350 1.213 0.000 0.192 75 E C 1.364 177.877 176.600 -0.144 0.000 0.983 75 E CA 1.065 57.343 56.400 -0.203 0.000 0.818 75 E CB -1.162 28.456 29.700 -0.136 0.000 0.758 75 E HN 0.313 nan 8.360 nan 0.000 0.467 76 D N 0.833 121.165 120.400 -0.114 0.000 2.234 76 D HA 0.021 5.389 4.640 1.213 0.000 0.205 76 D C 1.877 178.157 176.300 -0.034 0.000 0.962 76 D CA 0.663 54.630 54.000 -0.056 0.000 0.855 76 D CB 0.012 40.796 40.800 -0.027 0.000 0.951 76 D HN 0.001 nan 8.370 nan 0.000 0.500 77 S N 0.343 116.014 115.700 -0.048 0.000 2.368 77 S HA -0.037 5.161 4.470 1.213 0.000 0.224 77 S C 2.146 176.739 174.600 -0.012 0.000 1.029 77 S CA 0.365 58.587 58.200 0.037 0.000 0.988 77 S CB -0.006 63.266 63.200 0.119 0.000 0.838 77 S HN 0.268 nan 8.310 nan 0.000 0.462 78 I N 1.468 121.948 120.570 -0.151 0.000 2.208 78 I HA -0.204 4.694 4.170 1.213 0.000 0.245 78 I C 2.315 178.358 176.117 -0.124 0.000 1.097 78 I CA 1.114 62.215 61.300 -0.332 0.000 1.363 78 I CB -0.469 37.250 38.000 -0.468 0.000 1.051 78 I HN 0.256 nan 8.210 nan 0.000 0.413 79 S N 0.690 116.346 115.700 -0.072 0.000 2.371 79 S HA -0.039 5.159 4.470 1.213 0.000 0.224 79 S C 2.001 176.607 174.600 0.010 0.000 1.029 79 S CA 0.965 59.152 58.200 -0.021 0.000 0.978 79 S CB -0.175 63.012 63.200 -0.021 0.000 0.833 79 S HN 0.306 nan 8.310 nan 0.000 0.466 80 I N 1.322 121.902 120.570 0.017 0.000 2.226 80 I HA -0.178 4.720 4.170 1.213 0.000 0.245 80 I C 1.971 178.122 176.117 0.057 0.000 1.100 80 I CA 1.152 62.476 61.300 0.040 0.000 1.374 80 I CB -0.322 37.710 38.000 0.053 0.000 1.057 80 I HN 0.233 nan 8.210 nan 0.000 0.413 81 I N 0.460 121.072 120.570 0.070 0.000 2.208 81 I HA -0.302 4.596 4.170 1.213 0.000 0.245 81 I C 2.359 178.537 176.117 0.101 0.000 1.097 81 I CA 1.567 62.930 61.300 0.104 0.000 1.363 81 I CB -0.335 37.768 38.000 0.172 0.000 1.051 81 I HN 0.223 nan 8.210 nan 0.000 0.413 82 E N 0.280 120.536 120.200 0.093 0.000 2.204 82 E HA -0.207 4.871 4.350 1.213 0.000 0.194 82 E C 2.022 178.658 176.600 0.060 0.000 0.989 82 E CA 0.903 57.357 56.400 0.089 0.000 0.824 82 E CB 0.072 29.823 29.700 0.085 0.000 0.756 82 E HN 0.513 nan 8.360 nan 0.000 0.477 83 E N -0.002 120.227 120.200 0.048 0.000 2.028 83 E HA -0.133 4.944 4.350 1.213 0.000 0.190 83 E C 2.123 178.748 176.600 0.040 0.000 0.984 83 E CA 1.047 57.470 56.400 0.038 0.000 0.800 83 E CB 0.086 29.805 29.700 0.032 0.000 0.758 83 E HN 0.018 nan 8.360 nan 0.000 0.448 84 V N 0.995 120.937 119.914 0.046 0.000 2.407 84 V HA -0.108 4.740 4.120 1.213 0.000 0.248 84 V C 1.051 177.170 176.094 0.042 0.000 1.055 84 V CA 0.790 63.117 62.300 0.044 0.000 1.049 84 V CB -0.204 31.650 31.823 0.051 0.000 0.662 84 V HN 0.014 nan 8.190 nan 0.000 0.455 85 V N 1.190 121.133 119.914 0.048 0.000 2.567 85 V HA 0.280 5.128 4.120 1.213 0.000 0.289 85 V C -2.147 173.967 176.094 0.033 0.000 1.049 85 V CA -1.768 60.556 62.300 0.040 0.000 0.969 85 V CB 0.958 32.808 31.823 0.046 0.000 0.995 85 V HN 0.293 nan 8.190 nan 0.000 0.471 86 P HA 0.138 nan 4.420 nan 0.000 0.262 86 P C 0.816 178.127 177.300 0.019 0.000 1.182 86 P CA 0.280 63.391 63.100 0.019 0.000 0.761 86 P CB 0.327 32.034 31.700 0.012 0.000 0.795 87 K N 3.036 123.448 120.400 0.020 0.000 2.228 87 K HA -0.225 4.823 4.320 1.213 0.000 0.205 87 K C 1.259 177.867 176.600 0.014 0.000 1.045 87 K CA 2.052 58.351 56.287 0.021 0.000 0.931 87 K CB -1.223 31.289 32.500 0.020 0.000 0.727 87 K HN 0.683 nan 8.250 nan 0.000 0.458 88 E N 0.196 120.402 120.200 0.009 0.000 2.465 88 E HA 0.120 5.198 4.350 1.213 0.000 0.191 88 E C 1.869 178.468 176.600 -0.001 0.000 1.053 88 E CA 0.456 56.858 56.400 0.004 0.000 0.869 88 E CB 0.577 30.279 29.700 0.004 0.000 0.977 88 E HN 0.463 nan 8.360 nan 0.000 0.483 89 S N 0.382 116.081 115.700 -0.002 0.000 2.400 89 S HA -0.110 5.088 4.470 1.213 0.000 0.232 89 S C 0.716 175.303 174.600 -0.022 0.000 1.025 89 S CA 0.895 59.088 58.200 -0.011 0.000 0.993 89 S CB -0.173 63.021 63.200 -0.009 0.000 0.808 89 S HN 0.206 nan 8.310 nan 0.000 0.478 90 V N 1.323 121.227 119.914 -0.016 0.000 6.177 90 V HA -0.196 4.652 4.120 1.213 0.000 0.277 90 V C -0.212 175.852 176.094 -0.049 0.000 0.580 90 V CA 0.026 62.314 62.300 -0.021 0.000 0.697 90 V CB -1.947 29.866 31.823 -0.015 0.000 0.575 90 V HN 0.450 nan 8.190 nan 0.000 0.569 91 I N 2.003 122.532 120.570 -0.069 0.000 2.452 91 I HA 0.198 5.096 4.170 1.213 0.000 0.287 91 I C 1.383 177.412 176.117 -0.146 0.000 1.079 91 I CA 1.192 62.397 61.300 -0.159 0.000 1.387 91 I CB 1.585 39.433 38.000 -0.253 0.000 1.404 91 I HN 0.614 nan 8.210 nan 0.000 0.522 92 S N 4.502 120.108 115.700 -0.156 0.000 2.336 92 S HA -0.005 5.193 4.470 1.213 0.000 0.216 92 S C 0.820 175.346 174.600 -0.122 0.000 1.032 92 S CA 0.956 59.094 58.200 -0.102 0.000 0.973 92 S CB 0.192 63.346 63.200 -0.078 0.000 0.888 92 S HN 0.796 nan 8.310 nan 0.000 0.455 93 S N -1.291 114.280 115.700 -0.215 0.000 2.697 93 S HA 0.759 5.957 4.470 1.213 0.000 0.289 93 S C -1.780 172.606 174.600 -0.356 0.000 1.149 93 S CA -0.816 57.293 58.200 -0.152 0.000 0.850 93 S CB 1.133 64.305 63.200 -0.047 0.000 1.151 93 S HN 0.389 nan 8.310 nan 0.000 0.491 94 Y N -0.225 120.074 120.300 -0.003 0.000 2.524 94 Y HA 0.693 5.971 4.550 1.213 0.000 0.347 94 Y C -1.184 174.721 175.900 0.009 0.000 1.005 94 Y CA -0.925 57.128 58.100 -0.078 0.000 1.025 94 Y CB 1.856 40.270 38.460 -0.076 0.000 1.275 94 Y HN 0.850 nan 8.280 nan 0.000 0.460 95 Y N 2.727 122.946 120.300 -0.135 0.000 2.332 95 Y HA 0.546 5.824 4.550 1.213 0.000 0.325 95 Y C -2.144 173.591 175.900 -0.276 0.000 1.054 95 Y CA -2.263 55.784 58.100 -0.088 0.000 1.119 95 Y CB 0.631 39.069 38.460 -0.037 0.000 1.168 95 Y HN 0.527 nan 8.280 nan 0.000 0.439 96 F N 5.129 124.714 119.950 -0.607 0.000 2.406 96 F HA 0.198 5.452 4.527 1.213 0.000 0.358 96 F C 0.582 175.888 175.800 -0.824 0.000 1.161 96 F CA -0.551 56.936 58.000 -0.856 0.000 1.185 96 F CB 0.051 38.447 39.000 -1.007 0.000 1.421 96 F HN 0.487 nan 8.300 nan 0.000 0.576 97 D N 5.643 125.602 120.400 -0.735 0.000 2.472 97 D HA -0.010 5.358 4.640 1.213 0.000 0.248 97 D C -1.514 174.815 176.300 0.049 0.000 1.174 97 D CA -1.519 52.203 54.000 -0.463 0.000 0.883 97 D CB 1.195 41.893 40.800 -0.169 0.000 1.149 97 D HN 0.203 nan 8.370 nan 0.000 0.488 98 P HA 0.092 nan 4.420 nan 0.000 0.261 98 P C 0.005 177.380 177.300 0.125 0.000 1.268 98 P CA 0.035 63.233 63.100 0.164 0.000 0.833 98 P CB 0.617 32.397 31.700 0.134 0.000 1.231 99 D N 0.047 120.516 120.400 0.114 0.000 2.347 99 D HA -0.019 5.349 4.640 1.213 0.000 0.213 99 D C 1.409 177.759 176.300 0.083 0.000 0.985 99 D CA 1.093 55.154 54.000 0.101 0.000 0.879 99 D CB 0.145 41.011 40.800 0.111 0.000 0.919 99 D HN 0.297 nan 8.370 nan 0.000 0.526 100 S N -2.295 113.460 115.700 0.092 0.000 2.800 100 S HA 0.327 5.525 4.470 1.213 0.000 0.266 100 S C 1.480 176.120 174.600 0.067 0.000 1.029 100 S CA 0.217 58.454 58.200 0.062 0.000 1.302 100 S CB 0.441 63.681 63.200 0.067 0.000 1.212 100 S HN 0.147 nan 8.310 nan 0.000 0.683 101 G N 2.416 111.284 108.800 0.112 0.000 2.258 101 G HA2 -0.303 4.385 3.960 1.213 0.000 0.274 101 G HA3 -0.303 4.385 3.960 1.213 0.000 0.274 101 G C -0.203 174.864 174.900 0.279 0.000 1.021 101 G CA 0.807 45.925 45.100 0.030 0.000 0.798 101 G HN 1.053 nan 8.290 nan 0.000 0.507 102 E N -1.329 119.082 120.200 0.351 0.000 2.207 102 E HA 0.690 5.768 4.350 1.213 0.000 0.270 102 E C -0.765 175.931 176.600 0.161 0.000 0.927 102 E CA -1.140 55.410 56.400 0.250 0.000 0.799 102 E CB 2.599 32.362 29.700 0.105 0.000 1.172 102 E HN 0.560 nan 8.360 nan 0.000 0.404 103 V N 4.605 124.503 119.914 -0.027 0.000 2.409 103 V HA 0.334 5.182 4.120 1.213 0.000 0.291 103 V C -0.815 175.121 176.094 -0.264 0.000 1.020 103 V CA -0.869 61.165 62.300 -0.443 0.000 0.848 103 V CB 1.217 32.516 31.823 -0.874 0.000 0.990 103 V HN 0.658 nan 8.190 nan 0.000 0.430 104 I N 7.910 128.340 120.570 -0.233 0.000 2.352 104 I HA 0.381 5.279 4.170 1.213 0.000 0.290 104 I C 0.152 176.179 176.117 -0.149 0.000 1.036 104 I CA 0.055 61.292 61.300 -0.105 0.000 1.336 104 I CB 1.106 39.117 38.000 0.017 0.000 1.407 104 I HN 0.493 nan 8.210 nan 0.000 0.497 105 I N 6.223 126.706 120.570 -0.145 0.000 2.378 105 I HA 0.252 5.150 4.170 1.213 0.000 0.291 105 I C 0.289 176.293 176.117 -0.190 0.000 0.992 105 I CA -0.562 60.607 61.300 -0.218 0.000 1.154 105 I CB 1.501 39.394 38.000 -0.178 0.000 1.315 105 I HN 0.487 nan 8.210 nan 0.000 0.448 106 E N 5.671 125.729 120.200 -0.237 0.000 2.115 106 E HA 0.623 5.701 4.350 1.213 0.000 0.282 106 E C -0.746 175.751 176.600 -0.173 0.000 0.987 106 E CA -0.489 55.811 56.400 -0.167 0.000 0.797 106 E CB 1.801 31.416 29.700 -0.141 0.000 1.086 106 E HN 0.661 nan 8.360 nan 0.000 0.397 107 A N 3.149 125.899 122.820 -0.117 0.000 2.414 107 A HA 0.242 5.290 4.320 1.213 0.000 0.306 107 A C 0.581 178.128 177.584 -0.061 0.000 1.054 107 A CA -0.624 51.357 52.037 -0.095 0.000 0.724 107 A CB 1.467 20.418 19.000 -0.082 0.000 1.267 107 A HN 0.767 nan 8.150 nan 0.000 0.418 108 E N 0.589 120.760 120.200 -0.048 0.000 2.072 108 E HA -0.096 4.982 4.350 1.213 0.000 0.191 108 E C -0.038 176.547 176.600 -0.024 0.000 0.985 108 E CA 1.212 57.594 56.400 -0.030 0.000 0.801 108 E CB 0.053 29.741 29.700 -0.021 0.000 0.750 108 E HN 0.466 nan 8.360 nan 0.000 0.452 109 K N 0.136 120.521 120.400 -0.026 0.000 2.484 109 K HA 0.171 5.219 4.320 1.213 0.000 0.226 109 K C -2.216 174.369 176.600 -0.025 0.000 1.031 109 K CA -1.690 54.585 56.287 -0.021 0.000 1.026 109 K CB 1.518 34.009 32.500 -0.015 0.000 1.412 109 K HN -0.038 nan 8.250 nan 0.000 0.492 110 P HA -0.066 nan 4.420 nan 0.000 0.221 110 P C 1.137 178.423 177.300 -0.022 0.000 1.150 110 P CA 0.626 63.709 63.100 -0.029 0.000 0.800 110 P CB 0.435 32.119 31.700 -0.027 0.000 0.787 111 G N -0.012 108.776 108.800 -0.021 0.000 2.422 111 G HA2 -0.189 4.499 3.960 1.213 0.000 0.218 111 G HA3 -0.189 4.499 3.960 1.213 0.000 0.218 111 G C 1.414 176.303 174.900 -0.019 0.000 1.140 111 G CA 0.375 45.462 45.100 -0.022 0.000 0.775 111 G HN 0.238 nan 8.290 nan 0.000 0.545 112 L N 0.140 121.354 121.223 -0.015 0.000 2.156 112 L HA 0.012 5.080 4.340 1.213 0.000 0.208 112 L C 2.810 179.678 176.870 -0.004 0.000 1.095 112 L CA 0.459 55.293 54.840 -0.009 0.000 0.770 112 L CB -0.325 41.730 42.059 -0.007 0.000 0.914 112 L HN 0.201 nan 8.230 nan 0.000 0.439 113 V N 0.058 119.968 119.914 -0.007 0.000 2.591 113 V HA -0.146 4.702 4.120 1.213 0.000 0.249 113 V C 2.125 178.223 176.094 0.007 0.000 1.053 113 V CA 1.312 63.612 62.300 0.001 0.000 1.068 113 V CB 0.046 31.863 31.823 -0.010 0.000 0.689 113 V HN 0.298 nan 8.190 nan 0.000 0.462 114 I N 0.728 121.298 120.570 0.000 0.000 2.546 114 I HA 0.236 5.134 4.170 1.213 0.000 0.255 114 I C 1.478 177.601 176.117 0.009 0.000 1.163 114 I CA 0.944 62.248 61.300 0.006 0.000 1.457 114 I CB -0.865 37.134 38.000 -0.001 0.000 1.092 114 I HN 0.573 nan 8.210 nan 0.000 0.434 115 G N 0.666 109.465 108.800 -0.000 0.000 2.725 115 G HA2 -0.326 4.362 3.960 1.213 0.000 0.220 115 G HA3 -0.326 4.362 3.960 1.213 0.000 0.220 115 G C 0.687 175.571 174.900 -0.025 0.000 1.357 115 G CA 0.172 45.273 45.100 0.000 0.000 0.866 115 G HN 0.281 nan 8.290 nan 0.000 0.548 116 K N -1.708 118.680 120.400 -0.021 0.000 2.001 116 K HA 0.048 5.096 4.320 1.213 0.000 0.208 116 K C 1.908 178.333 176.600 -0.292 0.000 1.048 116 K CA 2.494 58.714 56.287 -0.113 0.000 0.932 116 K CB -0.482 32.013 32.500 -0.008 0.000 0.715 116 K HN 1.172 nan 8.250 nan 0.000 0.437 117 H N -2.732 116.345 119.070 0.012 0.000 2.575 117 H HA 0.421 5.705 4.556 1.213 0.000 0.256 117 H C 0.910 176.247 175.328 0.014 0.000 1.162 117 H CA 0.163 56.218 56.048 0.012 0.000 0.969 117 H CB 1.020 30.789 29.762 0.011 0.000 1.796 117 H HN 0.661 nan 8.280 nan 0.000 0.607 118 G N 0.256 109.106 108.800 0.083 0.000 2.179 118 G HA2 -0.321 4.367 3.960 1.213 0.000 0.220 118 G HA3 -0.321 4.367 3.960 1.213 0.000 0.220 118 G C 1.533 176.472 174.900 0.064 0.000 0.990 118 G CA 0.147 45.286 45.100 0.065 0.000 0.646 118 G HN 0.533 nan 8.290 nan 0.000 0.517 119 A N 0.133 122.998 122.820 0.075 0.000 1.896 119 A HA -0.078 4.970 4.320 1.213 0.000 0.220 119 A C 2.471 180.085 177.584 0.050 0.000 1.206 119 A CA 3.266 55.342 52.037 0.065 0.000 0.647 119 A CB -1.079 17.963 19.000 0.070 0.000 0.828 119 A HN 1.024 nan 8.150 nan 0.000 0.455 120 T N -0.593 113.986 114.554 0.043 0.000 2.904 120 T HA -0.009 5.069 4.350 1.213 0.000 0.267 120 T C 1.782 176.508 174.700 0.044 0.000 1.059 120 T CA 1.168 63.291 62.100 0.040 0.000 1.137 120 T CB -0.254 68.633 68.868 0.032 0.000 0.879 120 T HN 0.288 nan 8.240 nan 0.000 0.467 121 L N 0.633 121.882 121.223 0.043 0.000 2.131 121 L HA 0.036 5.104 4.340 1.213 0.000 0.210 121 L C 2.537 179.440 176.870 0.055 0.000 1.092 121 L CA 1.436 56.305 54.840 0.048 0.000 0.759 121 L CB -0.152 41.932 42.059 0.042 0.000 0.903 121 L HN -0.024 nan 8.230 nan 0.000 0.435 122 R N -0.268 120.263 120.500 0.053 0.000 2.062 122 R HA -0.165 4.903 4.340 1.213 0.000 0.229 122 R C 2.220 178.553 176.300 0.053 0.000 1.128 122 R CA 1.410 57.542 56.100 0.053 0.000 0.960 122 R CB -0.365 29.964 30.300 0.049 0.000 0.855 122 R HN 0.371 nan 8.270 nan 0.000 0.432 123 E N 0.224 120.455 120.200 0.051 0.000 2.153 123 E HA -0.133 4.945 4.350 1.213 0.000 0.194 123 E C 1.655 178.291 176.600 0.060 0.000 0.988 123 E CA 1.494 57.924 56.400 0.050 0.000 0.811 123 E CB -0.219 29.508 29.700 0.045 0.000 0.746 123 E HN 0.442 nan 8.360 nan 0.000 0.466 124 I N -0.151 120.459 120.570 0.067 0.000 2.233 124 I HA -0.214 4.684 4.170 1.213 0.000 0.243 124 I C 2.176 178.355 176.117 0.103 0.000 1.093 124 I CA 1.486 62.836 61.300 0.085 0.000 1.380 124 I CB -0.443 37.609 38.000 0.087 0.000 1.067 124 I HN 0.106 nan 8.210 nan 0.000 0.413 125 T N 0.493 115.105 114.554 0.097 0.000 2.720 125 T HA -0.242 4.836 4.350 1.213 0.000 0.268 125 T C 1.921 176.671 174.700 0.084 0.000 1.037 125 T CA 1.392 63.554 62.100 0.103 0.000 1.144 125 T CB -0.210 68.710 68.868 0.085 0.000 0.864 125 T HN 0.251 nan 8.240 nan 0.000 0.444 126 K N 0.672 121.113 120.400 0.068 0.000 2.032 126 K HA -0.141 4.907 4.320 1.213 0.000 0.209 126 K C 2.533 179.167 176.600 0.056 0.000 1.048 126 K CA 1.402 57.721 56.287 0.054 0.000 0.927 126 K CB -0.052 32.476 32.500 0.046 0.000 0.712 126 K HN 0.340 nan 8.250 nan 0.000 0.441 127 Q N -0.283 119.557 119.800 0.066 0.000 2.245 127 Q HA -0.056 5.012 4.340 1.213 0.000 0.201 127 Q C 1.934 177.987 176.000 0.087 0.000 0.955 127 Q CA 1.336 57.179 55.803 0.066 0.000 0.870 127 Q CB 0.305 29.081 28.738 0.064 0.000 0.945 127 Q HN 0.541 nan 8.270 nan 0.000 0.461 128 I N -6.153 114.493 120.570 0.126 0.000 4.327 128 I HA 0.414 5.311 4.170 1.213 0.000 0.331 128 I C 1.172 177.417 176.117 0.214 0.000 1.348 128 I CA 0.607 62.027 61.300 0.200 0.000 1.152 128 I CB 0.976 39.145 38.000 0.281 0.000 1.151 128 I HN 0.146 nan 8.210 nan 0.000 0.410 129 G N 1.413 110.288 108.800 0.124 0.000 2.990 129 G HA2 -0.341 4.347 3.960 1.213 0.000 0.225 129 G HA3 -0.341 4.347 3.960 1.213 0.000 0.225 129 G C 0.020 174.946 174.900 0.043 0.000 1.304 129 G CA 0.256 45.371 45.100 0.026 0.000 0.816 129 G HN 0.468 nan 8.290 nan 0.000 0.528 130 W N 1.616 122.958 121.300 0.069 0.000 2.377 130 W HA 0.442 5.830 4.660 1.213 0.000 0.341 130 W C 1.051 177.593 176.519 0.039 0.000 1.240 130 W CA -0.020 57.368 57.345 0.072 0.000 1.311 130 W CB 0.186 29.729 29.460 0.138 0.000 1.175 130 W HN 0.276 nan 8.180 nan 0.000 0.571 131 I N 5.731 126.466 120.570 0.274 0.000 2.304 131 I HA 0.171 5.069 4.170 1.213 0.000 0.291 131 I C -1.938 174.252 176.117 0.121 0.000 1.018 131 I CA -2.201 59.191 61.300 0.153 0.000 1.260 131 I CB 0.591 38.650 38.000 0.098 0.000 1.390 131 I HN -0.036 nan 8.210 nan 0.000 0.475 132 P HA 0.252 nan 4.420 nan 0.000 0.282 132 P C -0.600 176.710 177.300 0.016 0.000 1.262 132 P CA -0.340 62.777 63.100 0.029 0.000 0.773 132 P CB 0.657 32.377 31.700 0.034 0.000 0.879 133 K N 3.170 123.565 120.400 -0.007 0.000 2.367 133 K HA 0.490 5.538 4.320 1.213 0.000 0.263 133 K C -0.483 176.103 176.600 -0.023 0.000 1.000 133 K CA -0.663 55.622 56.287 -0.002 0.000 0.891 133 K CB 0.359 32.864 32.500 0.009 0.000 1.117 133 K HN 0.337 nan 8.250 nan 0.000 0.443 134 V N 1.763 121.665 119.914 -0.020 0.000 2.567 134 V HA 0.661 5.509 4.120 1.213 0.000 0.289 134 V C 0.014 176.088 176.094 -0.032 0.000 1.049 134 V CA -0.830 61.449 62.300 -0.036 0.000 0.969 134 V CB 1.478 33.282 31.823 -0.031 0.000 0.995 134 V HN 0.606 nan 8.190 nan 0.000 0.471 135 V N 4.131 124.017 119.914 -0.047 0.000 2.971 135 V HA 0.454 5.302 4.120 1.213 0.000 0.309 135 V C -0.095 175.970 176.094 -0.049 0.000 1.130 135 V CA -0.922 61.354 62.300 -0.041 0.000 0.964 135 V CB 2.401 34.199 31.823 -0.042 0.000 1.029 135 V HN 0.890 nan 8.190 nan 0.000 0.427 136 R N 1.665 122.143 120.500 -0.037 0.000 2.491 136 R HA 0.286 5.354 4.340 1.213 0.000 0.283 136 R C -0.222 176.054 176.300 -0.041 0.000 1.072 136 R CA -0.176 55.903 56.100 -0.035 0.000 1.048 136 R CB 0.795 31.083 30.300 -0.020 0.000 0.983 136 R HN 0.799 nan 8.270 nan 0.000 0.450 137 T N 7.634 122.161 114.554 -0.044 0.000 2.793 137 T HA 0.091 5.169 4.350 1.213 0.000 0.289 137 T C -2.196 172.485 174.700 -0.032 0.000 0.956 137 T CA -0.693 61.379 62.100 -0.047 0.000 1.177 137 T CB 0.599 69.440 68.868 -0.045 0.000 0.897 137 T HN 0.453 nan 8.240 nan 0.000 0.533 138 P HA 0.141 nan 4.420 nan 0.000 0.268 138 P C -1.779 175.515 177.300 -0.010 0.000 1.204 138 P CA -1.251 61.833 63.100 -0.028 0.000 0.768 138 P CB 0.273 31.941 31.700 -0.053 0.000 0.842 139 P HA -0.055 nan 4.420 nan 0.000 0.215 139 P C 0.339 177.660 177.300 0.035 0.000 1.157 139 P CA 1.245 64.365 63.100 0.033 0.000 0.863 139 P CB 0.063 31.799 31.700 0.059 0.000 0.787 140 I N -0.492 120.083 120.570 0.008 0.000 2.532 140 I HA 0.166 5.064 4.170 1.213 0.000 0.292 140 I C 0.722 176.811 176.117 -0.047 0.000 1.014 140 I CA -0.847 60.437 61.300 -0.027 0.000 1.340 140 I CB 0.820 38.719 38.000 -0.168 0.000 1.422 140 I HN -0.216 nan 8.210 nan 0.000 0.528 141 K N 3.469 123.853 120.400 -0.025 0.000 2.253 141 K HA 0.214 5.262 4.320 1.213 0.000 0.277 141 K C -0.349 176.213 176.600 -0.064 0.000 1.053 141 K CA -0.168 56.103 56.287 -0.027 0.000 0.892 141 K CB 1.057 33.565 32.500 0.014 0.000 1.102 141 K HN 0.576 nan 8.250 nan 0.000 0.469 142 S N 3.510 119.163 115.700 -0.079 0.000 2.411 142 S HA 0.124 5.322 4.470 1.213 0.000 0.294 142 S C 1.033 175.602 174.600 -0.052 0.000 1.115 142 S CA -0.484 57.663 58.200 -0.088 0.000 1.071 142 S CB 0.670 63.815 63.200 -0.092 0.000 0.967 142 S HN 0.762 nan 8.310 nan 0.000 0.488 143 R N 3.339 123.819 120.500 -0.033 0.000 2.148 143 R HA -0.060 5.008 4.340 1.213 0.000 0.227 143 R C 1.570 177.858 176.300 -0.021 0.000 1.103 143 R CA 2.073 58.166 56.100 -0.012 0.000 0.983 143 R CB -0.470 29.838 30.300 0.012 0.000 0.874 143 R HN 0.674 nan 8.270 nan 0.000 0.451 144 T N -0.042 114.492 114.554 -0.033 0.000 2.770 144 T HA -0.072 5.006 4.350 1.213 0.000 0.263 144 T C 1.821 176.491 174.700 -0.050 0.000 1.039 144 T CA 1.315 63.392 62.100 -0.039 0.000 1.142 144 T CB -0.197 68.646 68.868 -0.041 0.000 0.868 144 T HN 0.008 nan 8.240 nan 0.000 0.435 145 V N 1.968 121.848 119.914 -0.057 0.000 2.324 145 V HA -0.216 4.632 4.120 1.213 0.000 0.250 145 V C 3.076 179.114 176.094 -0.094 0.000 1.060 145 V CA 2.418 64.671 62.300 -0.078 0.000 1.042 145 V CB -1.123 30.647 31.823 -0.087 0.000 0.650 145 V HN 0.666 nan 8.190 nan 0.000 0.450 146 K N -0.138 120.223 120.400 -0.065 0.000 2.057 146 K HA -0.192 4.856 4.320 1.213 0.000 0.206 146 K C 1.860 178.447 176.600 -0.022 0.000 1.050 146 K CA 1.706 57.965 56.287 -0.047 0.000 0.935 146 K CB -0.955 31.534 32.500 -0.018 0.000 0.715 146 K HN 0.580 nan 8.250 nan 0.000 0.439 147 N N 0.467 119.160 118.700 -0.011 0.000 2.166 147 N HA -0.046 5.422 4.740 1.213 0.000 0.186 147 N C 1.860 177.391 175.510 0.036 0.000 1.019 147 N CA 1.561 54.621 53.050 0.016 0.000 0.856 147 N CB -0.166 38.321 38.487 0.001 0.000 0.993 147 N HN 0.504 nan 8.380 nan 0.000 0.426 148 I N 1.162 121.725 120.570 -0.013 0.000 2.179 148 I HA -0.243 4.655 4.170 1.213 0.000 0.242 148 I C 2.372 178.513 176.117 0.039 0.000 1.088 148 I CA 1.028 62.331 61.300 0.005 0.000 1.357 148 I CB -0.134 37.832 38.000 -0.056 0.000 1.051 148 I HN 0.067 nan 8.210 nan 0.000 0.409 149 R N 0.550 120.988 120.500 -0.104 0.000 2.083 149 R HA -0.206 4.862 4.340 1.213 0.000 0.237 149 R C 2.219 178.557 176.300 0.064 0.000 1.137 149 R CA 1.619 57.591 56.100 -0.213 0.000 0.951 149 R CB -0.338 29.708 30.300 -0.424 0.000 0.851 149 R HN 0.425 nan 8.270 nan 0.000 0.434 150 E N -0.279 119.971 120.200 0.084 0.000 2.110 150 E HA -0.204 4.874 4.350 1.213 0.000 0.193 150 E C 1.684 178.365 176.600 0.135 0.000 0.988 150 E CA 1.056 57.525 56.400 0.115 0.000 0.804 150 E CB -0.110 29.646 29.700 0.093 0.000 0.745 150 E HN 0.252 nan 8.360 nan 0.000 0.458 151 F N 0.932 120.895 119.950 0.021 0.000 2.146 151 F HA -0.213 5.041 4.527 1.213 0.000 0.298 151 F C 2.125 177.948 175.800 0.039 0.000 1.096 151 F CA 1.163 59.175 58.000 0.020 0.000 1.275 151 F CB 0.034 39.035 39.000 0.001 0.000 1.008 151 F HN -0.042 nan 8.300 nan 0.000 0.480 152 M N 0.135 119.826 119.600 0.153 0.000 2.117 152 M HA -0.169 5.039 4.480 1.213 0.000 0.262 152 M C 2.281 178.599 176.300 0.030 0.000 1.065 152 M CA 1.463 56.819 55.300 0.093 0.000 1.114 152 M CB -1.136 31.621 32.600 0.261 0.000 1.361 152 M HN 0.150 nan 8.290 nan 0.000 0.408 153 R N 0.374 120.935 120.500 0.101 0.000 2.083 153 R HA -0.112 4.956 4.340 1.213 0.000 0.237 153 R C 1.693 177.971 176.300 -0.037 0.000 1.137 153 R CA 1.158 57.296 56.100 0.063 0.000 0.951 153 R CB -0.889 29.473 30.300 0.103 0.000 0.851 153 R HN 0.445 nan 8.270 nan 0.000 0.434 154 N N 0.881 119.525 118.700 -0.093 0.000 2.519 154 N HA -0.088 5.380 4.740 1.213 0.000 0.186 154 N C 0.455 175.841 175.510 -0.207 0.000 1.062 154 N CA 0.806 53.773 53.050 -0.139 0.000 0.910 154 N CB -0.065 38.336 38.487 -0.143 0.000 0.958 154 N HN 0.245 nan 8.380 nan 0.000 0.445 155 N N 0.170 118.706 118.700 -0.274 0.000 2.299 155 N HA 0.091 5.559 4.740 1.213 0.000 0.246 155 N C 1.209 176.630 175.510 -0.149 0.000 1.254 155 N CA -0.144 52.742 53.050 -0.273 0.000 0.879 155 N CB 0.826 39.006 38.487 -0.511 0.000 1.214 155 N HN 0.172 nan 8.380 nan 0.000 0.510 156 L N 0.944 122.115 121.223 -0.087 0.000 2.043 156 L HA -0.192 4.876 4.340 1.213 0.000 0.212 156 L C 1.905 178.753 176.870 -0.036 0.000 1.075 156 L CA 1.713 56.534 54.840 -0.032 0.000 0.752 156 L CB 0.078 42.138 42.059 0.001 0.000 0.891 156 L HN 0.121 nan 8.230 nan 0.000 0.432 157 K N -0.493 119.878 120.400 -0.049 0.000 2.057 157 K HA -0.232 4.816 4.320 1.213 0.000 0.206 157 K C 1.955 178.527 176.600 -0.047 0.000 1.050 157 K CA 1.534 57.795 56.287 -0.044 0.000 0.935 157 K CB -0.129 32.345 32.500 -0.044 0.000 0.715 157 K HN 0.357 nan 8.250 nan 0.000 0.439 158 E N 0.851 121.014 120.200 -0.061 0.000 2.106 158 E HA -0.217 4.860 4.350 1.213 0.000 0.192 158 E C 2.101 178.653 176.600 -0.080 0.000 0.984 158 E CA 0.840 57.202 56.400 -0.064 0.000 0.806 158 E CB 0.163 29.824 29.700 -0.066 0.000 0.750 158 E HN 0.025 nan 8.360 nan 0.000 0.458 159 R N 1.598 122.051 120.500 -0.077 0.000 2.070 159 R HA -0.139 4.929 4.340 1.213 0.000 0.233 159 R C 2.193 178.467 176.300 -0.043 0.000 1.137 159 R CA 2.112 58.169 56.100 -0.071 0.000 0.945 159 R CB -0.387 29.893 30.300 -0.034 0.000 0.845 159 R HN -0.002 nan 8.270 nan 0.000 0.430 160 K N -0.200 120.189 120.400 -0.019 0.000 2.063 160 K HA -0.216 4.832 4.320 1.213 0.000 0.208 160 K C 1.880 178.479 176.600 -0.003 0.000 1.048 160 K CA 1.943 58.232 56.287 0.003 0.000 0.928 160 K CB -0.148 32.353 32.500 0.003 0.000 0.713 160 K HN 0.150 nan 8.250 nan 0.000 0.442 161 E N 0.914 121.101 120.200 -0.022 0.000 2.106 161 E HA -0.114 4.963 4.350 1.213 0.000 0.192 161 E C 1.783 178.370 176.600 -0.021 0.000 0.984 161 E CA 1.236 57.626 56.400 -0.017 0.000 0.806 161 E CB -0.111 29.576 29.700 -0.022 0.000 0.750 161 E HN 0.406 nan 8.360 nan 0.000 0.458 162 I N 0.153 120.684 120.570 -0.064 0.000 2.315 162 I HA -0.241 4.657 4.170 1.213 0.000 0.248 162 I C 2.138 178.229 176.117 -0.043 0.000 1.117 162 I CA 0.717 61.958 61.300 -0.099 0.000 1.404 162 I CB -0.177 37.649 38.000 -0.290 0.000 1.071 162 I HN 0.157 nan 8.210 nan 0.000 0.419 163 L N 0.326 121.539 121.223 -0.017 0.000 2.093 163 L HA -0.195 4.872 4.340 1.213 0.000 0.208 163 L C 2.540 179.456 176.870 0.077 0.000 1.085 163 L CA 1.405 56.267 54.840 0.037 0.000 0.755 163 L CB -0.579 41.512 42.059 0.054 0.000 0.904 163 L HN 0.216 nan 8.230 nan 0.000 0.435 164 K N -0.520 119.921 120.400 0.068 0.000 2.057 164 K HA -0.138 4.910 4.320 1.213 0.000 0.207 164 K C 2.090 178.751 176.600 0.102 0.000 1.049 164 K CA 1.832 58.177 56.287 0.097 0.000 0.931 164 K CB -0.192 32.349 32.500 0.068 0.000 0.714 164 K HN 0.265 nan 8.250 nan 0.000 0.440 165 T N 0.971 115.562 114.554 0.063 0.000 2.770 165 T HA -0.087 4.991 4.350 1.213 0.000 0.263 165 T C 2.018 176.753 174.700 0.058 0.000 1.039 165 T CA 1.048 63.181 62.100 0.055 0.000 1.142 165 T CB -0.144 68.743 68.868 0.032 0.000 0.868 165 T HN -0.071 nan 8.240 nan 0.000 0.435 166 V N 1.522 121.469 119.914 0.056 0.000 2.332 166 V HA -0.155 4.693 4.120 1.213 0.000 0.248 166 V C 2.807 178.954 176.094 0.089 0.000 1.055 166 V CA 2.046 64.385 62.300 0.065 0.000 1.038 166 V CB -1.382 30.480 31.823 0.066 0.000 0.651 166 V HN 0.608 nan 8.190 nan 0.000 0.450 167 G N -0.152 108.727 108.800 0.133 0.000 2.480 167 G HA2 -0.256 4.432 3.960 1.213 0.000 0.216 167 G HA3 -0.256 4.432 3.960 1.213 0.000 0.216 167 G C 1.691 176.671 174.900 0.133 0.000 1.200 167 G CA 0.769 45.991 45.100 0.203 0.000 0.782 167 G HN 0.443 nan 8.290 nan 0.000 0.554 168 R N 0.224 120.803 120.500 0.131 0.000 2.159 168 R HA -0.032 5.036 4.340 1.213 0.000 0.237 168 R C 2.451 178.723 176.300 -0.046 0.000 1.131 168 R CA 1.383 57.513 56.100 0.050 0.000 0.982 168 R CB -0.147 30.249 30.300 0.160 0.000 0.868 168 R HN 0.403 nan 8.270 nan 0.000 0.453 169 K N 1.211 121.600 120.400 -0.018 0.000 2.076 169 K HA -0.025 5.023 4.320 1.213 0.000 0.204 169 K C 1.896 178.440 176.600 -0.093 0.000 1.051 169 K CA 0.844 57.109 56.287 -0.035 0.000 0.949 169 K CB 0.051 32.549 32.500 -0.003 0.000 0.726 169 K HN 0.025 nan 8.250 nan 0.000 0.443 170 I N 0.722 121.214 120.570 -0.129 0.000 2.264 170 I HA -0.257 4.641 4.170 1.213 0.000 0.248 170 I C 1.067 176.901 176.117 -0.472 0.000 1.111 170 I CA 1.408 62.543 61.300 -0.275 0.000 1.382 170 I CB -0.228 37.576 38.000 -0.327 0.000 1.060 170 I HN 0.301 nan 8.210 nan 0.000 0.418 171 H N 0.189 119.036 119.070 -0.372 0.000 2.519 171 H HA 0.141 5.427 4.556 1.217 0.000 0.289 171 H C 0.559 175.704 175.328 -0.306 0.000 1.040 171 H CA -0.458 55.306 56.048 -0.474 0.000 1.165 171 H CB -0.149 28.907 29.762 -1.176 0.000 1.462 171 H HN 0.297 nan 8.280 nan 0.000 0.555 172 R N 0.622 121.043 120.500 -0.133 0.000 2.738 172 R HA 0.113 5.181 4.340 1.213 0.000 0.268 172 R C -0.479 175.787 176.300 -0.056 0.000 1.062 172 R CA -0.222 55.839 56.100 -0.066 0.000 1.158 172 R CB 0.867 31.135 30.300 -0.053 0.000 1.046 172 R HN 0.248 nan 8.270 nan 0.000 0.493 173 E N 0.737 120.920 120.200 -0.028 0.000 2.349 173 E HA 0.137 5.215 4.350 1.213 0.000 0.265 173 E C -0.369 176.207 176.600 -0.040 0.000 1.064 173 E CA -0.805 55.579 56.400 -0.025 0.000 0.886 173 E CB 1.179 30.876 29.700 -0.005 0.000 1.036 173 E HN 0.469 nan 8.360 nan 0.000 0.413 174 C N 1.372 120.644 119.300 -0.047 0.000 2.689 174 C HA 0.114 5.301 4.460 1.213 0.000 0.409 174 C C 1.635 176.595 174.990 -0.050 0.000 1.293 174 C CA 0.172 59.153 59.018 -0.062 0.000 2.136 174 C CB -0.169 27.528 27.740 -0.070 0.000 2.719 174 C HN 0.888 nan 8.230 nan 0.000 0.644 175 T N -2.064 112.455 114.554 -0.059 0.000 3.130 175 T HA 0.137 5.215 4.350 1.213 0.000 0.288 175 T C 0.221 174.892 174.700 -0.049 0.000 0.936 175 T CA -0.045 62.029 62.100 -0.044 0.000 0.897 175 T CB 0.056 68.904 68.868 -0.033 0.000 1.178 175 T HN 0.535 nan 8.240 nan 0.000 0.543 176 S N 0.801 116.456 115.700 -0.075 0.000 2.525 176 S HA 0.587 5.785 4.470 1.213 0.000 0.290 176 S C 0.942 175.498 174.600 -0.073 0.000 1.152 176 S CA -0.134 58.020 58.200 -0.077 0.000 1.072 176 S CB 1.137 64.262 63.200 -0.126 0.000 1.027 176 S HN 0.536 nan 8.310 nan 0.000 0.500 177 K N 2.326 122.699 120.400 -0.045 0.000 2.476 177 K HA 0.230 5.278 4.320 1.213 0.000 0.196 177 K C -0.250 176.328 176.600 -0.035 0.000 1.025 177 K CA 0.230 56.496 56.287 -0.035 0.000 1.138 177 K CB -0.466 32.026 32.500 -0.014 0.000 0.860 177 K HN 0.703 nan 8.250 nan 0.000 0.515 178 D N 0.949 121.309 120.400 -0.066 0.000 2.269 178 D HA 0.273 5.641 4.640 1.213 0.000 0.244 178 D C -0.221 175.971 176.300 -0.180 0.000 0.992 178 D CA -0.219 53.746 54.000 -0.059 0.000 0.894 178 D CB 1.500 42.304 40.800 0.006 0.000 1.248 178 D HN 0.499 nan 8.370 nan 0.000 0.468 179 Q N 1.184 120.910 119.800 -0.124 0.000 2.304 179 Q HA 0.643 5.711 4.340 1.213 0.000 0.270 179 Q C -0.965 175.013 176.000 -0.038 0.000 1.035 179 Q CA -1.027 54.662 55.803 -0.190 0.000 0.781 179 Q CB 2.580 31.259 28.738 -0.098 0.000 1.261 179 Q HN 0.636 nan 8.270 nan 0.000 0.444 180 W N -0.006 121.263 121.300 -0.052 0.000 3.059 180 W HA 0.683 5.292 4.660 -0.085 0.000 0.329 180 W C -2.154 174.310 176.519 -0.093 0.000 1.246 180 W CA -1.011 56.291 57.345 -0.072 0.000 1.190 180 W CB 0.573 29.995 29.460 -0.063 0.000 1.423 180 W HN 0.356 nan 8.180 nan 0.000 0.571 181 V N 2.243 122.329 119.914 0.288 0.000 2.789 181 V HA 0.721 5.569 4.120 1.213 0.000 0.311 181 V C -0.245 175.932 176.094 0.139 0.000 1.073 181 V CA -0.994 61.406 62.300 0.166 0.000 0.921 181 V CB 1.866 33.647 31.823 -0.071 0.000 1.009 181 V HN 0.680 nan 8.190 nan 0.000 0.426 182 R N 2.009 122.593 120.500 0.140 0.000 2.764 182 R HA 0.915 5.983 4.340 1.213 0.000 0.270 182 R C -2.216 174.086 176.300 0.003 0.000 1.014 182 R CA -0.881 55.224 56.100 0.007 0.000 0.904 182 R CB 2.261 32.525 30.300 -0.059 0.000 1.236 182 R HN 0.324 nan 8.270 nan 0.000 0.466 183 V N 1.143 121.028 119.914 -0.050 0.000 2.483 183 V HA 0.417 5.264 4.120 1.213 0.000 0.297 183 V C -0.575 175.515 176.094 -0.007 0.000 1.027 183 V CA -0.575 61.729 62.300 0.006 0.000 0.855 183 V CB 2.046 33.850 31.823 -0.031 0.000 0.995 183 V HN 0.863 nan 8.190 nan 0.000 0.424 184 T N 4.116 118.692 114.554 0.037 0.000 2.824 184 T HA 0.705 5.783 4.350 1.213 0.000 0.280 184 T C 0.099 174.823 174.700 0.041 0.000 0.995 184 T CA -0.279 61.822 62.100 0.001 0.000 1.009 184 T CB 1.674 70.519 68.868 -0.038 0.000 0.955 184 T HN 0.888 nan 8.240 nan 0.000 0.452 185 A N 2.770 125.581 122.820 -0.014 0.000 2.290 185 A HA 0.678 5.726 4.320 1.213 0.000 0.310 185 A C 0.549 178.011 177.584 -0.203 0.000 1.202 185 A CA -0.605 51.339 52.037 -0.155 0.000 0.837 185 A CB 0.169 19.132 19.000 -0.062 0.000 1.139 185 A HN 0.941 nan 8.150 nan 0.000 0.509 186 L N 2.047 123.093 121.223 -0.295 0.000 2.817 186 L HA 0.464 5.532 4.340 1.213 0.000 0.248 186 L C 0.919 177.753 176.870 -0.061 0.000 1.133 186 L CA 0.519 55.292 54.840 -0.111 0.000 0.935 186 L CB 0.504 42.506 42.059 -0.095 0.000 1.266 186 L HN 0.885 nan 8.230 nan 0.000 0.535 187 G N -1.997 106.655 108.800 -0.246 0.000 2.355 187 G HA2 0.401 5.089 3.960 1.213 0.000 0.296 187 G HA3 0.401 5.089 3.960 1.213 0.000 0.296 187 G C 0.082 174.827 174.900 -0.258 0.000 1.507 187 G CA 0.049 45.051 45.100 -0.163 0.000 0.823 187 G HN 0.034 nan 8.290 nan 0.000 0.569 188 G N -1.827 106.917 108.800 -0.094 0.000 2.131 188 G HA2 -0.013 4.675 3.960 1.213 0.000 0.223 188 G HA3 -0.013 4.675 3.960 1.213 0.000 0.223 188 G C 0.256 175.244 174.900 0.146 0.000 0.990 188 G CA 0.508 45.624 45.100 0.027 0.000 0.671 188 G HN 1.532 nan 8.290 nan 0.000 0.521 189 C N 0.400 119.749 119.300 0.081 0.000 2.369 189 C HA 0.680 5.867 4.460 1.213 0.000 0.322 189 C C 1.177 176.211 174.990 0.072 0.000 1.258 189 C CA -0.359 58.735 59.018 0.127 0.000 1.487 189 C CB 1.073 28.887 27.740 0.123 0.000 2.165 189 C HN 0.627 nan 8.230 nan 0.000 0.483 190 K N 1.087 121.530 120.400 0.071 0.000 3.088 190 K HA -0.227 4.821 4.320 1.213 0.000 0.273 190 K C 0.111 176.716 176.600 0.007 0.000 1.111 190 K CA 1.624 57.932 56.287 0.035 0.000 0.803 190 K CB -1.236 31.285 32.500 0.035 0.000 1.226 190 K HN 0.984 nan 8.250 nan 0.000 0.485 191 E N -1.766 118.432 120.200 -0.004 0.000 2.407 191 E HA 0.441 5.519 4.350 1.213 0.000 0.279 191 E C -1.003 175.536 176.600 -0.102 0.000 1.012 191 E CA -1.194 55.180 56.400 -0.043 0.000 0.800 191 E CB 1.630 31.312 29.700 -0.030 0.000 1.276 191 E HN -0.084 nan 8.360 nan 0.000 0.452 192 V N 0.952 120.773 119.914 -0.156 0.000 2.465 192 V HA 0.707 5.555 4.120 1.213 0.000 0.279 192 V C 0.503 176.494 176.094 -0.173 0.000 1.045 192 V CA 1.026 63.149 62.300 -0.295 0.000 0.938 192 V CB 0.540 32.234 31.823 -0.214 0.000 0.986 192 V HN 0.991 nan 8.190 nan 0.000 0.467 193 G N 4.740 113.428 108.800 -0.187 0.000 2.592 193 G HA2 0.170 4.858 3.960 1.213 0.000 0.685 193 G HA3 0.170 4.858 3.960 1.213 0.000 0.685 193 G C -0.134 174.700 174.900 -0.110 0.000 1.278 193 G CA -0.336 44.696 45.100 -0.114 0.000 0.822 193 G HN 1.532 nan 8.290 nan 0.000 0.652 194 R N -0.835 119.594 120.500 -0.119 0.000 3.405 194 R HA -0.153 4.915 4.340 1.213 0.000 0.258 194 R C 0.438 176.663 176.300 -0.125 0.000 1.030 194 R CA 1.126 57.157 56.100 -0.115 0.000 0.691 194 R CB -2.624 27.615 30.300 -0.101 0.000 1.093 194 R HN 1.403 nan 8.270 nan 0.000 0.448 195 S N -0.017 115.604 115.700 -0.132 0.000 2.573 195 S HA 0.189 5.387 4.470 1.213 0.000 0.297 195 S C 0.324 174.884 174.600 -0.067 0.000 1.280 195 S CA 0.502 58.678 58.200 -0.041 0.000 1.061 195 S CB 1.175 64.391 63.200 0.026 0.000 0.812 195 S HN 0.597 nan 8.310 nan 0.000 0.500 196 C N 5.404 124.584 119.300 -0.201 0.000 3.158 196 C HA 0.506 5.694 4.460 1.213 0.000 0.428 196 C C -1.841 172.882 174.990 -0.444 0.000 0.985 196 C CA -0.756 58.166 59.018 -0.160 0.000 1.240 196 C CB -0.894 26.759 27.740 -0.145 0.000 1.615 196 C HN 0.792 nan 8.230 nan 0.000 0.570 197 F N 4.694 124.652 119.950 0.013 0.000 2.576 197 F HA 0.770 6.021 4.527 1.206 0.000 0.313 197 F C -0.297 175.471 175.800 -0.054 0.000 1.078 197 F CA -0.854 57.164 58.000 0.029 0.000 0.921 197 F CB 1.812 40.907 39.000 0.158 0.000 1.232 197 F HN 0.477 nan 8.300 nan 0.000 0.459 198 L N 3.994 125.289 121.223 0.120 0.000 2.305 198 L HA 0.652 5.720 4.340 1.213 0.000 0.284 198 L C -1.492 175.398 176.870 0.033 0.000 1.013 198 L CA -0.691 54.162 54.840 0.022 0.000 0.819 198 L CB 1.288 43.346 42.059 -0.002 0.000 1.227 198 L HN 0.573 nan 8.230 nan 0.000 0.417 199 L N 5.371 126.558 121.223 -0.060 0.000 2.282 199 L HA 0.803 5.871 4.340 1.213 0.000 0.288 199 L C -0.385 176.453 176.870 -0.055 0.000 1.033 199 L CA 0.339 55.137 54.840 -0.071 0.000 0.807 199 L CB 1.418 43.311 42.059 -0.277 0.000 1.209 199 L HN 0.770 nan 8.230 nan 0.000 0.423 200 S N 2.434 118.152 115.700 0.030 0.000 2.569 200 S HA 0.963 6.161 4.470 1.213 0.000 0.280 200 S C -0.365 174.318 174.600 0.137 0.000 1.111 200 S CA 0.047 58.302 58.200 0.091 0.000 0.887 200 S CB 1.830 65.136 63.200 0.176 0.000 1.095 200 S HN 0.956 nan 8.310 nan 0.000 0.476 201 T N -1.896 112.623 114.554 -0.057 0.000 2.804 201 T HA 0.689 5.767 4.350 1.213 0.000 0.290 201 T C -2.585 171.620 174.700 -0.825 0.000 1.099 201 T CA -1.804 60.016 62.100 -0.467 0.000 1.011 201 T CB 0.956 69.618 68.868 -0.343 0.000 1.291 201 T HN 0.297 nan 8.240 nan 0.000 0.523 202 P HA 0.057 nan 4.420 nan 0.000 0.222 202 P C 1.001 178.103 177.300 -0.330 0.000 1.147 202 P CA 0.862 63.473 63.100 -0.814 0.000 0.790 202 P CB 0.153 31.374 31.700 -0.798 0.000 0.780 203 E N -1.300 118.723 120.200 -0.294 0.000 2.389 203 E HA 0.167 5.245 4.350 1.213 0.000 0.199 203 E C 0.290 176.819 176.600 -0.118 0.000 0.978 203 E CA 0.556 56.855 56.400 -0.168 0.000 0.912 203 E CB 0.329 29.933 29.700 -0.160 0.000 0.907 203 E HN 0.139 nan 8.360 nan 0.000 0.494 204 S N 0.286 115.910 115.700 -0.127 0.000 2.546 204 S HA 0.621 5.819 4.470 1.213 0.000 0.274 204 S C -0.623 173.948 174.600 -0.047 0.000 1.121 204 S CA -0.813 57.341 58.200 -0.076 0.000 0.887 204 S CB 2.396 65.546 63.200 -0.084 0.000 1.094 204 S HN -0.052 nan 8.310 nan 0.000 0.474 205 R N 1.481 121.967 120.500 -0.023 0.000 2.502 205 R HA 0.589 5.657 4.340 1.213 0.000 0.300 205 R C -1.351 174.933 176.300 -0.025 0.000 0.984 205 R CA -0.495 55.596 56.100 -0.016 0.000 0.882 205 R CB 1.158 31.460 30.300 0.003 0.000 1.180 205 R HN 0.406 nan 8.270 nan 0.000 0.444 206 I N 3.895 124.426 120.570 -0.065 0.000 2.465 206 I HA 0.321 5.219 4.170 1.213 0.000 0.291 206 I C -0.792 175.259 176.117 -0.109 0.000 1.014 206 I CA -1.018 60.237 61.300 -0.076 0.000 1.093 206 I CB 1.674 39.582 38.000 -0.153 0.000 1.267 206 I HN 0.431 nan 8.210 nan 0.000 0.431 207 L N 7.126 128.300 121.223 -0.083 0.000 2.272 207 L HA 0.489 5.557 4.340 1.213 0.000 0.289 207 L C -0.471 176.363 176.870 -0.059 0.000 1.032 207 L CA -0.157 54.630 54.840 -0.089 0.000 0.810 207 L CB 0.875 42.852 42.059 -0.137 0.000 1.205 207 L HN 0.324 nan 8.230 nan 0.000 0.422 208 I N 5.229 125.753 120.570 -0.078 0.000 2.312 208 I HA 0.386 5.284 4.170 1.213 0.000 0.290 208 I C -0.513 175.667 176.117 0.105 0.000 1.008 208 I CA -0.211 61.065 61.300 -0.041 0.000 1.226 208 I CB 0.727 38.510 38.000 -0.362 0.000 1.371 208 I HN 0.584 nan 8.210 nan 0.000 0.468 209 D N 3.496 123.968 120.400 0.119 0.000 10.873 209 D HA -0.261 5.107 4.640 1.213 0.000 0.355 209 D C -0.816 175.517 176.300 0.055 0.000 3.125 209 D CA 0.213 54.295 54.000 0.137 0.000 2.637 209 D CB -0.274 40.684 40.800 0.263 0.000 1.188 209 D HN 0.709 nan 8.370 nan 0.000 0.939 210 C N 2.452 121.768 119.300 0.026 0.000 3.355 210 C HA 0.588 5.776 4.460 1.213 0.000 0.287 210 C C 0.550 175.528 174.990 -0.020 0.000 1.036 210 C CA 0.399 59.408 59.018 -0.016 0.000 1.246 210 C CB -0.395 27.322 27.740 -0.038 0.000 1.754 210 C HN 0.684 nan 8.230 nan 0.000 0.592 211 G N 2.020 110.790 108.800 -0.051 0.000 2.502 211 G HA2 0.598 5.286 3.960 1.213 0.000 0.305 211 G HA3 0.598 5.286 3.960 1.213 0.000 0.305 211 G C 0.102 174.960 174.900 -0.071 0.000 1.190 211 G CA 0.138 45.192 45.100 -0.077 0.000 0.933 211 G HN 1.449 nan 8.290 nan 0.000 0.503 212 V N -0.720 119.136 119.914 -0.097 0.000 3.083 212 V HA 0.442 5.290 4.120 1.213 0.000 0.306 212 V C 0.472 176.517 176.094 -0.082 0.000 1.077 212 V CA -1.314 60.930 62.300 -0.093 0.000 1.073 212 V CB 1.277 32.978 31.823 -0.203 0.000 1.081 212 V HN 0.609 nan 8.190 nan 0.000 0.474 213 N N 1.141 119.809 118.700 -0.054 0.000 2.503 213 N HA 0.411 5.879 4.740 1.213 0.000 0.267 213 N C -0.892 174.598 175.510 -0.034 0.000 1.214 213 N CA -0.157 52.864 53.050 -0.050 0.000 0.959 213 N CB 1.268 39.730 38.487 -0.042 0.000 1.142 213 N HN 0.699 nan 8.380 nan 0.000 0.455 214 V N 1.739 121.634 119.914 -0.031 0.000 2.407 214 V HA 0.874 5.722 4.120 1.213 0.000 0.291 214 V C 0.721 176.807 176.094 -0.014 0.000 1.018 214 V CA 0.190 62.485 62.300 -0.008 0.000 0.842 214 V CB 0.427 32.252 31.823 0.004 0.000 0.996 214 V HN 0.967 nan 8.190 nan 0.000 0.426 215 G N 3.375 112.167 108.800 -0.013 0.000 2.332 215 G HA2 0.094 4.782 3.960 1.213 0.000 0.265 215 G HA3 0.094 4.782 3.960 1.213 0.000 0.265 215 G C 0.570 175.451 174.900 -0.031 0.000 1.329 215 G CA 0.171 45.256 45.100 -0.025 0.000 0.949 215 G HN 0.413 nan 8.290 nan 0.000 0.476 216 S N -0.323 115.353 115.700 -0.039 0.000 2.353 216 S HA -0.012 5.186 4.470 1.213 0.000 0.222 216 S C 0.783 175.362 174.600 -0.034 0.000 1.035 216 S CA 1.895 60.068 58.200 -0.044 0.000 1.025 216 S CB -0.172 62.998 63.200 -0.050 0.000 0.902 216 S HN 0.630 nan 8.310 nan 0.000 0.440 217 D N 0.564 120.946 120.400 -0.029 0.000 2.329 217 D HA 0.135 5.503 4.640 1.213 0.000 0.232 217 D C 0.521 176.813 176.300 -0.014 0.000 1.088 217 D CA -0.157 53.828 54.000 -0.024 0.000 0.835 217 D CB 1.001 41.785 40.800 -0.028 0.000 1.078 217 D HN 0.113 nan 8.370 nan 0.000 0.495 218 E N 2.818 123.017 120.200 -0.001 0.000 2.158 218 E HA -0.093 4.985 4.350 1.213 0.000 0.191 218 E C 1.079 177.698 176.600 0.031 0.000 0.982 218 E CA 0.648 57.064 56.400 0.026 0.000 0.823 218 E CB 0.053 29.782 29.700 0.048 0.000 0.766 218 E HN 0.626 nan 8.360 nan 0.000 0.468 219 N N 0.633 119.340 118.700 0.010 0.000 2.309 219 N HA -0.060 5.408 4.740 1.213 0.000 0.182 219 N C 0.852 176.361 175.510 -0.001 0.000 1.018 219 N CA -0.023 53.032 53.050 0.009 0.000 0.876 219 N CB -0.106 38.376 38.487 -0.007 0.000 0.972 219 N HN 0.067 nan 8.380 nan 0.000 0.434 220 M N 2.254 121.840 119.600 -0.024 0.000 2.336 220 M HA -0.064 5.144 4.480 1.213 0.000 0.371 220 M C 0.293 176.558 176.300 -0.059 0.000 1.542 220 M CA 0.588 55.854 55.300 -0.058 0.000 0.959 220 M CB 0.241 32.798 32.600 -0.071 0.000 2.033 220 M HN 0.216 nan 8.290 nan 0.000 0.472 221 T N 3.040 117.546 114.554 -0.080 0.000 2.938 221 T HA 0.741 5.819 4.350 1.213 0.000 0.285 221 T C -2.707 171.901 174.700 -0.152 0.000 1.028 221 T CA -1.964 60.100 62.100 -0.061 0.000 1.005 221 T CB 1.248 70.126 68.868 0.017 0.000 1.157 221 T HN 0.333 nan 8.240 nan 0.000 0.550 222 P HA 0.131 nan 4.420 nan 0.000 0.270 222 P C -0.753 176.471 177.300 -0.127 0.000 1.223 222 P CA -0.285 62.732 63.100 -0.139 0.000 0.785 222 P CB -0.081 31.576 31.700 -0.071 0.000 0.923 223 Y N 0.944 121.228 120.300 -0.028 0.000 2.518 223 Y HA 0.060 5.338 4.550 1.213 0.000 0.337 223 Y C 1.359 177.182 175.900 -0.129 0.000 1.261 223 Y CA 0.330 58.383 58.100 -0.079 0.000 1.856 223 Y CB -1.054 37.274 38.460 -0.220 0.000 1.798 223 Y HN 0.192 nan 8.280 nan 0.000 0.440 224 L N 1.416 122.718 121.223 0.132 0.000 2.591 224 L HA -0.079 4.989 4.340 1.213 0.000 0.228 224 L C 0.806 177.785 176.870 0.182 0.000 1.133 224 L CA 0.223 55.176 54.840 0.187 0.000 0.880 224 L CB -0.342 41.904 42.059 0.311 0.000 1.033 224 L HN 0.679 nan 8.230 nan 0.000 0.450 225 Y N -1.445 118.798 120.300 -0.095 0.000 2.555 225 Y HA 0.438 5.719 4.550 1.218 0.000 0.259 225 Y C 0.413 176.090 175.900 -0.372 0.000 1.179 225 Y CA -1.376 56.400 58.100 -0.539 0.000 1.230 225 Y CB -1.086 37.094 38.460 -0.466 0.000 1.146 225 Y HN -0.084 nan 8.280 nan 0.000 0.526 226 V N -2.534 117.112 119.914 -0.447 0.000 2.863 226 V HA 0.412 5.260 4.120 1.213 0.000 0.307 226 V C -1.779 174.258 176.094 -0.095 0.000 1.061 226 V CA -2.520 59.582 62.300 -0.331 0.000 1.024 226 V CB 1.388 32.995 31.823 -0.360 0.000 1.049 226 V HN -0.148 nan 8.190 nan 0.000 0.471 227 P HA -0.150 nan 4.420 nan 0.000 0.218 227 P C 1.087 178.400 177.300 0.021 0.000 1.146 227 P CA 1.543 64.644 63.100 0.002 0.000 0.820 227 P CB 0.154 31.840 31.700 -0.023 0.000 0.778 228 E N -1.752 118.441 120.200 -0.012 0.000 2.427 228 E HA -0.024 5.054 4.350 1.213 0.000 0.196 228 E C 1.629 178.242 176.600 0.020 0.000 1.028 228 E CA 0.498 56.895 56.400 -0.005 0.000 0.864 228 E CB -0.359 29.319 29.700 -0.037 0.000 0.813 228 E HN 0.125 nan 8.360 nan 0.000 0.514 229 V N -0.634 119.319 119.914 0.065 0.000 3.359 229 V HA 0.159 5.007 4.120 1.213 0.000 0.245 229 V C -0.332 175.849 176.094 0.144 0.000 1.247 229 V CA 0.089 62.443 62.300 0.090 0.000 1.145 229 V CB 0.339 32.227 31.823 0.109 0.000 0.906 229 V HN 0.069 nan 8.190 nan 0.000 0.464 230 F N 3.368 123.296 119.950 -0.035 0.000 2.411 230 F HA 0.533 5.786 4.527 1.210 0.000 0.350 230 F C -2.083 173.710 175.800 -0.012 0.000 1.114 230 F CA -3.271 54.717 58.000 -0.019 0.000 1.135 230 F CB 0.880 39.868 39.000 -0.021 0.000 1.120 230 F HN 0.034 nan 8.300 nan 0.000 0.495 231 P HA 0.236 nan 4.420 nan 0.000 0.290 231 P C 0.586 177.783 177.300 -0.172 0.000 1.276 231 P CA -0.370 62.672 63.100 -0.095 0.000 0.808 231 P CB 1.429 33.111 31.700 -0.031 0.000 0.966 232 L N 1.923 122.931 121.223 -0.357 0.000 2.261 232 L HA -0.226 4.842 4.340 1.213 0.000 0.216 232 L C 2.122 178.976 176.870 -0.026 0.000 1.114 232 L CA 1.476 56.182 54.840 -0.222 0.000 0.777 232 L CB -0.972 40.919 42.059 -0.281 0.000 0.910 232 L HN 0.469 nan 8.230 nan 0.000 0.440 233 N N 0.695 119.370 118.700 -0.041 0.000 2.364 233 N HA -0.281 5.187 4.740 1.213 0.000 0.183 233 N C 1.664 177.184 175.510 0.017 0.000 1.022 233 N CA 1.468 54.516 53.050 -0.004 0.000 0.883 233 N CB -0.595 37.878 38.487 -0.023 0.000 0.965 233 N HN 0.621 nan 8.380 nan 0.000 0.438 234 Q N -0.302 119.502 119.800 0.006 0.000 2.488 234 Q HA 0.003 5.071 4.340 1.213 0.000 0.211 234 Q C -0.148 175.870 176.000 0.030 0.000 0.967 234 Q CA 0.339 56.151 55.803 0.015 0.000 0.926 234 Q CB 0.005 28.750 28.738 0.011 0.000 0.992 234 Q HN 0.257 nan 8.270 nan 0.000 0.506 235 I N 2.793 123.399 120.570 0.060 0.000 2.337 235 I HA 0.061 4.959 4.170 1.213 0.000 0.291 235 I C -0.027 176.192 176.117 0.170 0.000 1.046 235 I CA -0.160 61.186 61.300 0.077 0.000 1.324 235 I CB 1.110 39.101 38.000 -0.015 0.000 1.409 235 I HN 0.080 nan 8.210 nan 0.000 0.494 236 D N 4.811 125.274 120.400 0.106 0.000 2.117 236 D HA 0.077 5.445 4.640 1.213 0.000 0.198 236 D C 0.734 177.159 176.300 0.208 0.000 0.982 236 D CA 1.317 55.388 54.000 0.119 0.000 0.828 236 D CB 0.356 41.194 40.800 0.064 0.000 0.967 236 D HN 0.705 nan 8.370 nan 0.000 0.464 237 A N -0.890 122.060 122.820 0.217 0.000 2.612 237 A HA 0.577 5.625 4.320 1.213 0.000 0.293 237 A C -1.592 176.096 177.584 0.174 0.000 1.075 237 A CA -0.667 51.548 52.037 0.298 0.000 0.680 237 A CB 1.379 20.636 19.000 0.428 0.000 1.279 237 A HN -0.106 nan 8.150 nan 0.000 0.411 238 V N 1.638 121.663 119.914 0.185 0.000 2.495 238 V HA 0.529 5.377 4.120 1.213 0.000 0.298 238 V C -0.873 175.352 176.094 0.218 0.000 1.031 238 V CA -0.274 62.069 62.300 0.071 0.000 0.871 238 V CB 1.342 33.122 31.823 -0.071 0.000 0.988 238 V HN 0.669 nan 8.190 nan 0.000 0.432 239 I N 4.805 125.504 120.570 0.215 0.000 2.404 239 I HA 0.442 5.340 4.170 1.213 0.000 0.293 239 I C -0.193 176.053 176.117 0.215 0.000 0.992 239 I CA -0.274 61.212 61.300 0.310 0.000 1.149 239 I CB 2.031 40.264 38.000 0.387 0.000 1.315 239 I HN 0.282 nan 8.210 nan 0.000 0.446 240 V N 5.639 125.670 119.914 0.194 0.000 2.334 240 V HA 0.179 5.027 4.120 1.213 0.000 0.281 240 V C 1.133 177.244 176.094 0.029 0.000 1.016 240 V CA -0.206 62.151 62.300 0.096 0.000 0.832 240 V CB 1.009 32.859 31.823 0.046 0.000 0.999 240 V HN 0.988 nan 8.190 nan 0.000 0.439 241 T N 0.998 115.592 114.554 0.067 0.000 2.777 241 T HA -0.057 5.021 4.350 1.213 0.000 0.266 241 T C 0.657 175.362 174.700 0.009 0.000 1.040 241 T CA 1.509 63.640 62.100 0.052 0.000 1.141 241 T CB -0.108 68.872 68.868 0.187 0.000 0.868 241 T HN 0.846 nan 8.240 nan 0.000 0.444 242 H N -2.049 116.919 119.070 -0.170 0.000 2.932 242 H HA 0.668 5.951 4.556 1.212 0.000 0.307 242 H C 0.500 175.726 175.328 -0.170 0.000 1.391 242 H CA -0.430 55.481 56.048 -0.228 0.000 1.130 242 H CB 1.118 30.719 29.762 -0.268 0.000 1.836 242 H HN 0.065 nan 8.280 nan 0.000 0.522 243 A N -0.103 122.573 122.820 -0.240 0.000 2.208 243 A HA 0.043 5.091 4.320 1.213 0.000 0.209 243 A C 0.409 177.912 177.584 -0.135 0.000 1.161 243 A CA -0.039 51.884 52.037 -0.191 0.000 0.782 243 A CB -1.242 17.663 19.000 -0.157 0.000 0.816 243 A HN 0.670 nan 8.150 nan 0.000 0.477 244 H N -0.692 118.239 119.070 -0.230 0.000 3.001 244 H HA 0.093 5.377 4.556 1.213 0.000 0.334 244 H C 1.137 176.415 175.328 -0.083 0.000 1.034 244 H CA -0.190 55.781 56.048 -0.127 0.000 1.420 244 H CB 0.671 30.420 29.762 -0.022 0.000 1.405 244 H HN 0.232 nan 8.280 nan 0.000 0.593 245 L N 1.964 123.223 121.223 0.061 0.000 2.129 245 L HA -0.215 4.853 4.340 1.213 0.000 0.212 245 L C 1.961 178.797 176.870 -0.056 0.000 1.087 245 L CA 1.334 56.143 54.840 -0.051 0.000 0.757 245 L CB -0.250 41.721 42.059 -0.148 0.000 0.896 245 L HN 0.806 nan 8.230 nan 0.000 0.434 246 D N -2.163 118.242 120.400 0.010 0.000 2.352 246 D HA -0.161 5.207 4.640 1.213 0.000 0.232 246 D C 1.214 177.388 176.300 -0.210 0.000 1.055 246 D CA 0.835 54.802 54.000 -0.056 0.000 0.891 246 D CB -0.092 40.701 40.800 -0.011 0.000 0.897 246 D HN 0.536 nan 8.370 nan 0.000 0.529 247 H N -0.774 118.276 119.070 -0.033 0.000 3.583 247 H HA 0.063 5.346 4.556 1.212 0.000 0.251 247 H C 1.010 176.309 175.328 -0.048 0.000 1.060 247 H CA 0.421 56.446 56.048 -0.038 0.000 1.159 247 H CB 0.795 30.460 29.762 -0.161 0.000 1.496 247 H HN 0.221 nan 8.280 nan 0.000 0.540 248 Q N 0.022 119.847 119.800 0.042 0.000 2.211 248 Q HA 0.220 5.288 4.340 1.213 0.000 0.242 248 Q C 1.967 177.974 176.000 0.011 0.000 0.825 248 Q CA 0.689 56.502 55.803 0.016 0.000 0.951 248 Q CB -0.244 28.491 28.738 -0.005 0.000 1.130 248 Q HN 0.147 nan 8.270 nan 0.000 0.496 249 G N 1.126 109.918 108.800 -0.014 0.000 2.470 249 G HA2 -0.103 4.585 3.960 1.213 0.000 0.220 249 G HA3 -0.103 4.585 3.960 1.213 0.000 0.220 249 G C 1.042 176.021 174.900 0.131 0.000 1.121 249 G CA 0.727 45.818 45.100 -0.015 0.000 0.766 249 G HN 0.349 nan 8.290 nan 0.000 0.553 250 L N 0.446 121.720 121.223 0.086 0.000 2.808 250 L HA 0.193 5.260 4.340 1.213 0.000 0.246 250 L C 2.172 179.050 176.870 0.012 0.000 1.153 250 L CA -0.333 54.584 54.840 0.130 0.000 0.956 250 L CB 0.800 42.916 42.059 0.096 0.000 1.270 250 L HN -0.018 nan 8.230 nan 0.000 0.528 251 V N 1.143 121.050 119.914 -0.011 0.000 2.380 251 V HA -0.186 4.662 4.120 1.213 0.000 0.251 251 V C -0.394 175.687 176.094 -0.022 0.000 1.063 251 V CA 2.031 64.320 62.300 -0.019 0.000 1.055 251 V CB -1.176 30.670 31.823 0.038 0.000 0.657 251 V HN 0.365 nan 8.190 nan 0.000 0.455 252 P HA -0.075 nan 4.420 nan 0.000 0.226 252 P C 1.765 178.863 177.300 -0.337 0.000 1.153 252 P CA 0.693 63.562 63.100 -0.385 0.000 0.777 252 P CB 0.004 30.989 31.700 -1.192 0.000 0.794 253 L N -0.777 120.288 121.223 -0.264 0.000 2.083 253 L HA -0.122 4.946 4.340 1.213 0.000 0.209 253 L C 2.043 178.746 176.870 -0.279 0.000 1.083 253 L CA 1.663 56.369 54.840 -0.223 0.000 0.752 253 L CB -1.299 40.703 42.059 -0.095 0.000 0.899 253 L HN -0.100 nan 8.230 nan 0.000 0.433 254 L N -1.818 119.312 121.223 -0.156 0.000 2.013 254 L HA -0.271 4.797 4.340 1.213 0.000 0.212 254 L C 2.426 179.190 176.870 -0.177 0.000 1.073 254 L CA 1.564 56.293 54.840 -0.185 0.000 0.753 254 L CB -0.730 41.096 42.059 -0.389 0.000 0.890 254 L HN 0.190 nan 8.230 nan 0.000 0.432 255 F N 0.111 120.028 119.950 -0.054 0.000 2.186 255 F HA -0.185 5.072 4.527 1.216 0.000 0.299 255 F C 2.630 178.391 175.800 -0.065 0.000 1.090 255 F CA 1.348 59.313 58.000 -0.059 0.000 1.307 255 F CB -0.410 38.512 39.000 -0.130 0.000 1.019 255 F HN -0.020 nan 8.300 nan 0.000 0.489 256 K N -0.406 120.016 120.400 0.036 0.000 2.103 256 K HA -0.207 4.841 4.320 1.213 0.000 0.207 256 K C 1.127 177.778 176.600 0.084 0.000 1.048 256 K CA 1.465 57.743 56.287 -0.014 0.000 0.930 256 K CB -0.281 32.120 32.500 -0.165 0.000 0.716 256 K HN 0.204 nan 8.250 nan 0.000 0.444 257 Y N -0.120 120.210 120.300 0.050 0.000 2.495 257 Y HA 0.240 5.517 4.550 1.212 0.000 0.293 257 Y C 1.185 177.043 175.900 -0.071 0.000 1.186 257 Y CA 0.053 58.164 58.100 0.017 0.000 1.266 257 Y CB 0.350 38.828 38.460 0.029 0.000 1.101 257 Y HN 0.369 nan 8.280 nan 0.000 0.517 258 G N -1.045 107.811 108.800 0.093 0.000 2.144 258 G HA2 -0.309 4.379 3.960 1.213 0.000 0.218 258 G HA3 -0.309 4.379 3.960 1.213 0.000 0.218 258 G C -0.118 174.763 174.900 -0.032 0.000 0.988 258 G CA -0.359 44.755 45.100 0.022 0.000 0.659 258 G HN 0.305 nan 8.290 nan 0.000 0.522 259 Y N 1.181 121.329 120.300 -0.253 0.000 2.425 259 Y HA 0.502 5.779 4.550 1.212 0.000 0.331 259 Y C 1.010 176.694 175.900 -0.361 0.000 1.157 259 Y CA 0.580 58.440 58.100 -0.401 0.000 1.372 259 Y CB 0.811 38.859 38.460 -0.687 0.000 1.253 259 Y HN 0.221 nan 8.280 nan 0.000 0.536 260 E N 2.797 122.495 120.200 -0.837 0.000 2.846 260 E HA 0.226 5.304 4.350 1.213 0.000 0.211 260 E C 0.294 176.606 176.600 -0.479 0.000 0.975 260 E CA -0.131 55.968 56.400 -0.503 0.000 1.211 260 E CB 0.436 30.054 29.700 -0.136 0.000 1.052 260 E HN 0.885 nan 8.360 nan 0.000 0.487 261 G N 1.706 109.811 108.800 -1.159 0.000 2.583 261 G HA2 0.403 5.091 3.960 1.213 0.000 0.280 261 G HA3 0.403 5.091 3.960 1.213 0.000 0.280 261 G C -2.576 172.240 174.900 -0.139 0.000 1.376 261 G CA -1.086 43.720 45.100 -0.490 0.000 1.043 261 G HN -0.122 nan 8.290 nan 0.000 0.538 262 P HA 0.380 nan 4.420 nan 0.000 0.279 262 P C -0.879 176.459 177.300 0.064 0.000 1.252 262 P CA -0.393 62.695 63.100 -0.019 0.000 0.811 262 P CB 1.859 33.329 31.700 -0.384 0.000 1.035 263 V N 2.679 122.595 119.914 0.004 0.000 2.409 263 V HA 0.289 5.137 4.120 1.213 0.000 0.291 263 V C -0.618 175.426 176.094 -0.084 0.000 1.020 263 V CA -0.423 61.919 62.300 0.070 0.000 0.848 263 V CB 0.609 32.547 31.823 0.192 0.000 0.990 263 V HN 0.389 nan 8.190 nan 0.000 0.430 264 Y N 3.978 124.404 120.300 0.212 0.000 2.341 264 Y HA 0.719 5.997 4.550 1.213 0.000 0.337 264 Y C 0.485 176.567 175.900 0.302 0.000 1.014 264 Y CA -0.534 57.711 58.100 0.241 0.000 1.111 264 Y CB 1.760 40.358 38.460 0.230 0.000 1.194 264 Y HN 0.919 nan 8.280 nan 0.000 0.462 265 C N -1.022 118.521 119.300 0.405 0.000 3.284 265 C HA 0.757 5.945 4.460 1.213 0.000 0.348 265 C C 0.045 175.027 174.990 -0.013 0.000 1.448 265 C CA -0.952 58.122 59.018 0.094 0.000 1.223 265 C CB 0.997 28.719 27.740 -0.030 0.000 1.588 265 C HN 0.932 nan 8.230 nan 0.000 0.451 266 T N -1.562 112.793 114.554 -0.332 0.000 2.828 266 T HA 0.497 5.575 4.350 1.213 0.000 0.290 266 T C -1.879 172.602 174.700 -0.365 0.000 1.019 266 T CA -0.633 61.253 62.100 -0.356 0.000 1.031 266 T CB 0.528 69.028 68.868 -0.613 0.000 1.001 266 T HN 0.604 nan 8.240 nan 0.000 0.531 267 P HA 0.031 nan 4.420 nan 0.000 0.216 267 P C -1.544 175.402 177.300 -0.589 0.000 1.153 267 P CA 1.034 63.937 63.100 -0.328 0.000 0.848 267 P CB -1.163 30.453 31.700 -0.140 0.000 0.787 268 P HA -0.081 nan 4.420 nan 0.000 0.217 268 P C 1.498 178.472 177.300 -0.544 0.000 1.151 268 P CA 1.740 64.224 63.100 -1.027 0.000 0.828 268 P CB -0.728 30.317 31.700 -1.092 0.000 0.788 269 T N -0.324 113.948 114.554 -0.470 0.000 2.699 269 T HA -0.202 4.876 4.350 1.213 0.000 0.268 269 T C 1.918 176.488 174.700 -0.216 0.000 1.036 269 T CA 1.119 63.036 62.100 -0.304 0.000 1.147 269 T CB -0.504 68.198 68.868 -0.276 0.000 0.862 269 T HN 0.055 nan 8.240 nan 0.000 0.446 270 R N 1.017 121.394 120.500 -0.205 0.000 2.094 270 R HA -0.156 4.912 4.340 1.213 0.000 0.239 270 R C 1.893 178.124 176.300 -0.115 0.000 1.137 270 R CA 2.089 58.114 56.100 -0.124 0.000 0.943 270 R CB -0.645 29.599 30.300 -0.093 0.000 0.850 270 R HN 0.373 nan 8.270 nan 0.000 0.433 271 D N 0.442 120.761 120.400 -0.135 0.000 2.117 271 D HA -0.132 5.236 4.640 1.213 0.000 0.197 271 D C 2.075 178.320 176.300 -0.092 0.000 0.987 271 D CA 0.973 54.916 54.000 -0.095 0.000 0.829 271 D CB -0.249 40.516 40.800 -0.059 0.000 0.961 271 D HN 0.254 nan 8.370 nan 0.000 0.460 272 L N 0.104 121.254 121.223 -0.122 0.000 2.072 272 L HA -0.067 5.000 4.340 1.213 0.000 0.205 272 L C 2.531 179.366 176.870 -0.057 0.000 1.079 272 L CA 0.633 55.420 54.840 -0.088 0.000 0.752 272 L CB -0.342 41.644 42.059 -0.122 0.000 0.906 272 L HN 0.038 nan 8.230 nan 0.000 0.436 273 M N -0.354 119.201 119.600 -0.074 0.000 2.082 273 M HA -0.221 4.987 4.480 1.213 0.000 0.258 273 M C 2.173 178.458 176.300 -0.025 0.000 1.069 273 M CA 1.867 57.139 55.300 -0.046 0.000 1.102 273 M CB -0.064 32.503 32.600 -0.056 0.000 1.336 273 M HN 0.014 nan 8.290 nan 0.000 0.404 274 V N 0.585 120.471 119.914 -0.047 0.000 2.358 274 V HA -0.248 4.600 4.120 1.213 0.000 0.246 274 V C 2.355 178.436 176.094 -0.021 0.000 1.047 274 V CA 1.643 63.912 62.300 -0.052 0.000 1.035 274 V CB -0.732 31.035 31.823 -0.094 0.000 0.658 274 V HN 0.582 nan 8.190 nan 0.000 0.452 275 L N -0.191 121.020 121.223 -0.019 0.000 1.970 275 L HA -0.173 4.895 4.340 1.213 0.000 0.212 275 L C 2.204 179.098 176.870 0.040 0.000 1.071 275 L CA 2.067 56.910 54.840 0.004 0.000 0.751 275 L CB -0.608 41.450 42.059 -0.001 0.000 0.889 275 L HN 0.200 nan 8.230 nan 0.000 0.432 276 L N -1.191 120.061 121.223 0.049 0.000 2.141 276 L HA -0.211 4.857 4.340 1.213 0.000 0.209 276 L C 2.605 179.553 176.870 0.130 0.000 1.094 276 L CA 1.175 56.067 54.840 0.087 0.000 0.763 276 L CB -0.533 41.571 42.059 0.075 0.000 0.908 276 L HN 0.451 nan 8.230 nan 0.000 0.437 277 Q N -0.126 119.748 119.800 0.124 0.000 2.049 277 Q HA -0.140 4.928 4.340 1.213 0.000 0.198 277 Q C 2.401 178.532 176.000 0.218 0.000 0.971 277 Q CA 1.155 57.090 55.803 0.220 0.000 0.833 277 Q CB -0.057 28.793 28.738 0.188 0.000 0.896 277 Q HN 0.489 nan 8.270 nan 0.000 0.434 278 L N 0.540 121.835 121.223 0.120 0.000 2.046 278 L HA -0.219 4.849 4.340 1.213 0.000 0.208 278 L C 2.081 178.995 176.870 0.073 0.000 1.077 278 L CA 1.265 56.153 54.840 0.079 0.000 0.747 278 L CB -0.363 41.714 42.059 0.029 0.000 0.896 278 L HN 0.269 nan 8.230 nan 0.000 0.432 279 D N -0.860 119.595 120.400 0.092 0.000 2.117 279 D HA -0.266 5.102 4.640 1.213 0.000 0.198 279 D C 2.057 178.428 176.300 0.118 0.000 0.982 279 D CA 1.001 55.054 54.000 0.090 0.000 0.828 279 D CB -0.060 40.800 40.800 0.100 0.000 0.967 279 D HN 0.256 nan 8.370 nan 0.000 0.464 280 Y N 1.947 122.259 120.300 0.021 0.000 2.053 280 Y HA -0.222 5.056 4.550 1.214 0.000 0.277 280 Y C 2.098 177.967 175.900 -0.052 0.000 1.159 280 Y CA 2.252 60.351 58.100 -0.001 0.000 1.125 280 Y CB -0.932 37.536 38.460 0.013 0.000 0.969 280 Y HN 0.232 nan 8.280 nan 0.000 0.492 281 I N -1.977 118.461 120.570 -0.220 0.000 2.493 281 I HA -0.086 4.812 4.170 1.213 0.000 0.254 281 I C 1.922 177.909 176.117 -0.218 0.000 1.160 281 I CA 2.050 63.121 61.300 -0.382 0.000 1.445 281 I CB -0.590 37.221 38.000 -0.315 0.000 1.086 281 I HN 0.204 nan 8.210 nan 0.000 0.433 282 D N 1.609 121.945 120.400 -0.106 0.000 2.091 282 D HA -0.136 5.232 4.640 1.213 0.000 0.199 282 D C 2.196 178.451 176.300 -0.076 0.000 0.980 282 D CA 1.509 55.468 54.000 -0.069 0.000 0.831 282 D CB 0.029 40.815 40.800 -0.023 0.000 0.987 282 D HN 0.174 nan 8.370 nan 0.000 0.460 283 V N 0.853 120.732 119.914 -0.060 0.000 2.392 283 V HA -0.229 4.619 4.120 1.213 0.000 0.249 283 V C 2.543 178.580 176.094 -0.095 0.000 1.059 283 V CA 1.789 64.060 62.300 -0.048 0.000 1.051 283 V CB -0.938 30.885 31.823 0.001 0.000 0.658 283 V HN 0.352 nan 8.190 nan 0.000 0.455 284 A N -0.181 122.529 122.820 -0.184 0.000 1.972 284 A HA -0.101 4.946 4.320 1.213 0.000 0.219 284 A C 2.403 179.889 177.584 -0.164 0.000 1.169 284 A CA 2.018 53.920 52.037 -0.226 0.000 0.635 284 A CB -0.617 18.123 19.000 -0.433 0.000 0.810 284 A HN 0.573 nan 8.150 nan 0.000 0.446 285 A N -0.435 122.296 122.820 -0.147 0.000 1.873 285 A HA 0.092 5.140 4.320 1.213 0.000 0.215 285 A C 2.399 179.935 177.584 -0.080 0.000 1.186 285 A CA 2.636 54.609 52.037 -0.107 0.000 0.616 285 A CB -0.858 18.085 19.000 -0.094 0.000 0.823 285 A HN 0.666 nan 8.150 nan 0.000 0.442 286 K N 0.202 120.559 120.400 -0.070 0.000 2.097 286 K HA -0.076 4.972 4.320 1.213 0.000 0.205 286 K C 1.708 178.278 176.600 -0.050 0.000 1.050 286 K CA 1.628 57.881 56.287 -0.056 0.000 0.938 286 K CB -0.756 31.716 32.500 -0.048 0.000 0.718 286 K HN 0.731 nan 8.250 nan 0.000 0.442 287 E N -1.440 118.730 120.200 -0.051 0.000 2.285 287 E HA 0.125 5.203 4.350 1.213 0.000 0.194 287 E C 0.811 177.384 176.600 -0.046 0.000 0.997 287 E CA 0.359 56.735 56.400 -0.041 0.000 0.845 287 E CB 0.260 29.939 29.700 -0.035 0.000 0.782 287 E HN 0.678 nan 8.360 nan 0.000 0.491 288 G N 2.027 110.792 108.800 -0.059 0.000 2.140 288 G HA2 -0.240 4.448 3.960 1.213 0.000 0.211 288 G HA3 -0.240 4.448 3.960 1.213 0.000 0.211 288 G C -0.030 174.835 174.900 -0.059 0.000 1.013 288 G CA 0.148 45.214 45.100 -0.056 0.000 0.705 288 G HN 0.109 nan 8.290 nan 0.000 0.508 289 K N 0.017 120.371 120.400 -0.076 0.000 2.419 289 K HA 0.763 5.811 4.320 1.213 0.000 0.246 289 K C 0.770 177.312 176.600 -0.097 0.000 1.037 289 K CA -0.112 56.129 56.287 -0.077 0.000 0.982 289 K CB 0.504 32.959 32.500 -0.076 0.000 1.283 289 K HN 0.384 nan 8.250 nan 0.000 0.500 290 K N 1.329 121.675 120.400 -0.090 0.000 2.298 290 K HA 0.236 5.284 4.320 1.213 0.000 0.280 290 K C -0.062 176.440 176.600 -0.162 0.000 1.032 290 K CA -0.006 56.224 56.287 -0.095 0.000 0.958 290 K CB -0.470 31.994 32.500 -0.060 0.000 0.978 290 K HN 0.515 nan 8.250 nan 0.000 0.472 291 I N 4.563 125.029 120.570 -0.172 0.000 2.328 291 I HA 0.232 5.130 4.170 1.213 0.000 0.287 291 I C -1.185 174.798 176.117 -0.223 0.000 1.012 291 I CA -1.980 59.163 61.300 -0.262 0.000 1.195 291 I CB 1.890 39.763 38.000 -0.211 0.000 1.350 291 I HN 0.689 nan 8.210 nan 0.000 0.464 292 P HA -0.021 nan 4.420 nan 0.000 0.221 292 P C -0.534 176.738 177.300 -0.046 0.000 1.155 292 P CA 1.243 64.262 63.100 -0.135 0.000 0.812 292 P CB 0.143 31.814 31.700 -0.049 0.000 0.801 293 Y N -2.473 117.808 120.300 -0.033 0.000 2.644 293 Y HA 0.636 5.914 4.550 1.214 0.000 0.338 293 Y C -0.154 175.727 175.900 -0.032 0.000 1.119 293 Y CA -1.630 56.449 58.100 -0.034 0.000 1.060 293 Y CB 0.526 38.970 38.460 -0.027 0.000 1.294 293 Y HN -0.287 nan 8.280 nan 0.000 0.472 294 E N 0.197 120.514 120.200 0.196 0.000 2.280 294 E HA 0.236 5.313 4.350 1.213 0.000 0.261 294 E C 0.430 177.137 176.600 0.178 0.000 1.088 294 E CA 0.088 56.556 56.400 0.113 0.000 0.915 294 E CB 1.424 31.161 29.700 0.062 0.000 1.141 294 E HN 0.816 nan 8.360 nan 0.000 0.433 295 S N 0.216 115.973 115.700 0.096 0.000 2.419 295 S HA -0.124 5.074 4.470 1.213 0.000 0.233 295 S C 1.960 176.583 174.600 0.038 0.000 1.016 295 S CA 0.876 59.121 58.200 0.075 0.000 0.974 295 S CB -0.616 62.602 63.200 0.029 0.000 0.786 295 S HN 0.712 nan 8.310 nan 0.000 0.492 296 G N 1.680 110.505 108.800 0.042 0.000 2.485 296 G HA2 -0.160 4.528 3.960 1.213 0.000 0.221 296 G HA3 -0.160 4.528 3.960 1.213 0.000 0.221 296 G C 1.390 176.288 174.900 -0.003 0.000 1.115 296 G CA 1.167 46.284 45.100 0.029 0.000 0.751 296 G HN 0.431 nan 8.290 nan 0.000 0.567 297 M N 0.205 119.803 119.600 -0.003 0.000 2.447 297 M HA 0.111 5.319 4.480 1.213 0.000 0.264 297 M C 2.619 178.798 176.300 -0.201 0.000 1.095 297 M CA 0.418 55.663 55.300 -0.092 0.000 1.125 297 M CB -0.370 32.174 32.600 -0.093 0.000 1.389 297 M HN 0.121 nan 8.290 nan 0.000 0.459 298 V N 0.403 120.236 119.914 -0.133 0.000 2.379 298 V HA -0.156 4.692 4.120 1.213 0.000 0.245 298 V C 2.706 178.668 176.094 -0.220 0.000 1.044 298 V CA 1.598 63.802 62.300 -0.159 0.000 1.036 298 V CB -1.356 30.431 31.823 -0.060 0.000 0.664 298 V HN 0.433 nan 8.190 nan 0.000 0.453 299 A N 0.118 122.816 122.820 -0.204 0.000 1.883 299 A HA -0.310 4.738 4.320 1.213 0.000 0.217 299 A C 2.338 179.865 177.584 -0.094 0.000 1.186 299 A CA 2.446 54.337 52.037 -0.244 0.000 0.624 299 A CB -0.529 18.438 19.000 -0.055 0.000 0.822 299 A HN 0.517 nan 8.150 nan 0.000 0.444 300 K N -1.095 119.223 120.400 -0.138 0.000 2.097 300 K HA -0.121 4.927 4.320 1.213 0.000 0.206 300 K C 2.002 178.306 176.600 -0.494 0.000 1.049 300 K CA 1.775 57.938 56.287 -0.207 0.000 0.933 300 K CB -0.288 32.058 32.500 -0.257 0.000 0.717 300 K HN 0.477 nan 8.250 nan 0.000 0.442 301 T N 1.598 115.748 114.554 -0.675 0.000 2.788 301 T HA -0.151 4.927 4.350 1.213 0.000 0.268 301 T C 1.589 176.140 174.700 -0.250 0.000 1.044 301 T CA 1.235 62.913 62.100 -0.703 0.000 1.139 301 T CB -0.141 68.523 68.868 -0.340 0.000 0.867 301 T HN 0.172 nan 8.240 nan 0.000 0.454 302 L N 1.031 122.153 121.223 -0.167 0.000 2.109 302 L HA 0.125 5.193 4.340 1.213 0.000 0.207 302 L C 2.115 179.019 176.870 0.056 0.000 1.086 302 L CA 1.710 56.511 54.840 -0.065 0.000 0.760 302 L CB -0.446 41.516 42.059 -0.163 0.000 0.910 302 L HN 0.022 nan 8.230 nan 0.000 0.437 303 K N -1.210 119.260 120.400 0.116 0.000 2.209 303 K HA -0.159 4.889 4.320 1.213 0.000 0.204 303 K C 1.219 177.767 176.600 -0.086 0.000 1.048 303 K CA 1.461 57.796 56.287 0.080 0.000 0.940 303 K CB -0.169 32.370 32.500 0.064 0.000 0.729 303 K HN 0.497 nan 8.250 nan 0.000 0.451 304 H N -0.985 118.031 119.070 -0.091 0.000 2.549 304 H HA 0.115 5.399 4.556 1.213 0.000 0.279 304 H C -0.297 175.017 175.328 -0.023 0.000 1.018 304 H CA 0.133 56.157 56.048 -0.041 0.000 1.175 304 H CB 0.636 30.404 29.762 0.011 0.000 1.485 304 H HN -0.108 nan 8.280 nan 0.000 0.543 305 T N 1.588 116.178 114.554 0.062 0.000 2.817 305 T HA 0.365 5.443 4.350 1.213 0.000 0.293 305 T C 0.291 174.998 174.700 0.013 0.000 0.964 305 T CA -0.231 61.888 62.100 0.032 0.000 1.085 305 T CB 0.826 69.711 68.868 0.028 0.000 0.921 305 T HN 0.148 nan 8.240 nan 0.000 0.502 306 I N 6.370 126.928 120.570 -0.019 0.000 2.437 306 I HA 0.279 5.177 4.170 1.213 0.000 0.279 306 I C -2.174 174.053 176.117 0.183 0.000 1.028 306 I CA -2.460 58.876 61.300 0.061 0.000 1.142 306 I CB 1.811 39.826 38.000 0.025 0.000 1.266 306 I HN 0.327 nan 8.210 nan 0.000 0.461 307 P HA 0.309 nan 4.420 nan 0.000 0.275 307 P C -1.019 176.402 177.300 0.202 0.000 1.227 307 P CA -0.110 63.082 63.100 0.153 0.000 0.781 307 P CB 1.293 33.042 31.700 0.083 0.000 0.906 308 L N 2.293 123.665 121.223 0.248 0.000 2.386 308 L HA 0.445 5.513 4.340 1.213 0.000 0.271 308 L C 0.388 177.402 176.870 0.239 0.000 0.993 308 L CA -0.880 54.107 54.840 0.244 0.000 0.819 308 L CB 2.121 44.338 42.059 0.264 0.000 1.294 308 L HN 0.214 nan 8.230 nan 0.000 0.414 309 D N 0.531 121.040 120.400 0.181 0.000 2.354 309 D HA 0.178 5.545 4.640 1.213 0.000 0.247 309 D C -0.469 175.970 176.300 0.231 0.000 1.138 309 D CA -0.195 53.906 54.000 0.168 0.000 0.958 309 D CB 0.968 41.849 40.800 0.134 0.000 1.144 309 D HN 0.159 nan 8.370 nan 0.000 0.458 310 Y N 0.930 121.363 120.300 0.222 0.000 2.903 310 Y HA -0.121 5.156 4.550 1.212 0.000 0.338 310 Y C 1.637 177.521 175.900 -0.026 0.000 1.265 310 Y CA 0.313 58.471 58.100 0.097 0.000 1.532 310 Y CB -0.157 38.337 38.460 0.055 0.000 1.293 310 Y HN 0.542 nan 8.280 nan 0.000 0.609 311 E N -1.346 118.849 120.200 -0.008 0.000 3.801 311 E HA -0.297 4.781 4.350 1.213 0.000 0.319 311 E C -0.106 176.464 176.600 -0.050 0.000 0.784 311 E CA 0.839 57.175 56.400 -0.106 0.000 1.183 311 E CB -0.802 28.888 29.700 -0.016 0.000 1.601 311 E HN 0.708 nan 8.360 nan 0.000 0.441 312 E N 1.569 121.758 120.200 -0.019 0.000 1.996 312 E HA 0.211 5.289 4.350 1.213 0.000 0.280 312 E C -0.447 176.108 176.600 -0.074 0.000 1.092 312 E CA -0.230 56.160 56.400 -0.017 0.000 0.862 312 E CB 0.727 30.443 29.700 0.026 0.000 1.066 312 E HN -0.054 nan 8.360 nan 0.000 0.396 313 V N 4.569 124.446 119.914 -0.062 0.000 2.446 313 V HA 0.089 4.937 4.120 1.213 0.000 0.276 313 V C 0.243 176.296 176.094 -0.067 0.000 1.030 313 V CA 0.235 62.493 62.300 -0.070 0.000 1.033 313 V CB 0.973 32.779 31.823 -0.029 0.000 0.993 313 V HN 0.594 nan 8.190 nan 0.000 0.477 314 T N 4.015 118.497 114.554 -0.121 0.000 2.890 314 T HA 0.247 5.325 4.350 1.213 0.000 0.295 314 T C -0.578 174.030 174.700 -0.154 0.000 0.993 314 T CA -0.648 61.368 62.100 -0.140 0.000 0.979 314 T CB 0.835 69.560 68.868 -0.237 0.000 0.967 314 T HN 0.639 nan 8.240 nan 0.000 0.441 315 D N 3.422 123.762 120.400 -0.100 0.000 2.349 315 D HA 0.083 5.451 4.640 1.213 0.000 0.266 315 D C 1.447 177.648 176.300 -0.165 0.000 1.293 315 D CA 0.017 53.947 54.000 -0.118 0.000 0.926 315 D CB 0.872 41.602 40.800 -0.116 0.000 1.090 315 D HN 0.661 nan 8.370 nan 0.000 0.502 316 I N -1.146 119.318 120.570 -0.176 0.000 3.956 316 I HA 0.448 5.346 4.170 1.213 0.000 0.333 316 I C 0.471 176.552 176.117 -0.061 0.000 1.302 316 I CA -0.280 60.924 61.300 -0.161 0.000 1.122 316 I CB 0.458 38.294 38.000 -0.273 0.000 1.013 316 I HN 0.162 nan 8.210 nan 0.000 0.405 317 A N 0.953 123.712 122.820 -0.102 0.000 2.586 317 A HA 0.583 5.630 4.320 1.213 0.000 0.291 317 A C -2.449 175.051 177.584 -0.140 0.000 1.062 317 A CA -0.784 51.193 52.037 -0.100 0.000 0.666 317 A CB 0.262 19.227 19.000 -0.057 0.000 1.281 317 A HN -0.127 nan 8.150 nan 0.000 0.421 318 P HA -0.100 nan 4.420 nan 0.000 0.218 318 P C 0.230 177.458 177.300 -0.121 0.000 1.146 318 P CA 2.136 65.150 63.100 -0.142 0.000 0.813 318 P CB 0.124 31.752 31.700 -0.120 0.000 0.778 319 D N -2.555 117.775 120.400 -0.116 0.000 2.582 319 D HA 0.126 5.494 4.640 1.213 0.000 0.246 319 D C 0.015 176.249 176.300 -0.110 0.000 1.334 319 D CA -0.130 53.798 54.000 -0.120 0.000 0.805 319 D CB -0.274 40.444 40.800 -0.136 0.000 1.087 319 D HN 0.152 nan 8.370 nan 0.000 0.499 320 I N 0.298 120.820 120.570 -0.079 0.000 2.499 320 I HA 0.341 5.239 4.170 1.213 0.000 0.288 320 I C -0.497 175.612 176.117 -0.013 0.000 1.048 320 I CA -0.765 60.521 61.300 -0.023 0.000 1.062 320 I CB 2.358 40.369 38.000 0.020 0.000 1.238 320 I HN -0.332 nan 8.210 nan 0.000 0.426 321 K N 5.434 125.855 120.400 0.034 0.000 2.270 321 K HA 0.634 5.682 4.320 1.213 0.000 0.255 321 K C -1.368 175.227 176.600 -0.008 0.000 0.936 321 K CA -0.843 55.456 56.287 0.020 0.000 0.809 321 K CB 2.911 35.474 32.500 0.106 0.000 1.131 321 K HN 0.313 nan 8.250 nan 0.000 0.427 322 L N 1.529 122.642 121.223 -0.183 0.000 2.329 322 L HA 0.517 5.585 4.340 1.213 0.000 0.279 322 L C -1.154 175.475 176.870 -0.402 0.000 1.014 322 L CA 0.259 54.845 54.840 -0.423 0.000 0.814 322 L CB 2.070 43.749 42.059 -0.634 0.000 1.257 322 L HN 0.566 nan 8.230 nan 0.000 0.424 323 T N 4.518 118.852 114.554 -0.366 0.000 2.879 323 T HA 0.529 5.607 4.350 1.213 0.000 0.290 323 T C -0.706 173.844 174.700 -0.249 0.000 0.993 323 T CA -0.191 61.730 62.100 -0.299 0.000 0.975 323 T CB 0.600 69.388 68.868 -0.134 0.000 0.981 323 T HN 0.218 nan 8.240 nan 0.000 0.439 324 F N 2.792 122.672 119.950 -0.117 0.000 2.375 324 F HA 0.495 5.751 4.527 1.215 0.000 0.333 324 F C 1.256 176.952 175.800 -0.173 0.000 1.104 324 F CA -0.526 57.482 58.000 0.014 0.000 1.149 324 F CB 0.742 39.858 39.000 0.192 0.000 1.190 324 F HN 0.512 nan 8.300 nan 0.000 0.533 325 H N -0.082 119.134 119.070 0.244 0.000 2.985 325 H HA 0.169 5.451 4.556 1.211 0.000 0.360 325 H C -0.994 174.047 175.328 -0.477 0.000 1.221 325 H CA -1.121 54.851 56.048 -0.125 0.000 1.121 325 H CB 1.773 31.552 29.762 0.030 0.000 1.854 325 H HN 0.403 nan 8.280 nan 0.000 0.551 326 N N -0.003 118.318 118.700 -0.631 0.000 2.454 326 N HA 0.108 5.576 4.740 1.213 0.000 0.260 326 N C 0.401 175.815 175.510 -0.159 0.000 1.218 326 N CA 0.463 53.155 53.050 -0.597 0.000 0.904 326 N CB 0.935 39.203 38.487 -0.364 0.000 1.065 326 N HN 0.642 nan 8.380 nan 0.000 0.462 327 A N 2.655 125.418 122.820 -0.094 0.000 2.085 327 A HA 0.362 5.410 4.320 1.213 0.000 0.208 327 A C 1.410 179.001 177.584 0.012 0.000 1.191 327 A CA 0.643 52.666 52.037 -0.024 0.000 0.799 327 A CB -0.675 18.294 19.000 -0.052 0.000 0.877 327 A HN 1.154 nan 8.150 nan 0.000 0.473 328 G N -1.471 107.296 108.800 -0.056 0.000 2.143 328 G HA2 -0.350 4.337 3.960 1.213 0.000 0.249 328 G HA3 -0.350 4.337 3.960 1.213 0.000 0.249 328 G C 0.626 175.493 174.900 -0.054 0.000 0.981 328 G CA 1.290 46.391 45.100 0.002 0.000 0.665 328 G HN 0.809 nan 8.290 nan 0.000 0.528 329 H N 0.402 119.262 119.070 -0.349 0.000 2.334 329 H HA 0.601 5.886 4.556 1.214 0.000 0.315 329 H C 1.399 176.505 175.328 -0.369 0.000 1.056 329 H CA 1.751 57.593 56.048 -0.344 0.000 1.418 329 H CB 0.181 29.647 29.762 -0.493 0.000 1.464 329 H HN 0.879 nan 8.280 nan 0.000 0.587 330 I N -2.174 117.986 120.570 -0.683 0.000 3.191 330 I HA 0.271 5.169 4.170 1.213 0.000 0.313 330 I C -1.094 174.566 176.117 -0.762 0.000 1.193 330 I CA -1.827 59.092 61.300 -0.634 0.000 0.968 330 I CB 1.967 39.686 38.000 -0.468 0.000 1.262 330 I HN 0.065 nan 8.210 nan 0.000 0.456 331 L N 3.829 124.843 121.223 -0.348 0.000 2.737 331 L HA 0.333 5.401 4.340 1.213 0.000 0.275 331 L C 1.084 177.745 176.870 -0.347 0.000 1.179 331 L CA 2.056 56.758 54.840 -0.229 0.000 0.970 331 L CB -0.420 41.421 42.059 -0.364 0.000 1.268 331 L HN 1.052 nan 8.230 nan 0.000 0.485 332 G N 2.208 110.840 108.800 -0.281 0.000 2.176 332 G HA2 -0.271 4.417 3.960 1.213 0.000 0.253 332 G HA3 -0.271 4.417 3.960 1.213 0.000 0.253 332 G C 0.336 175.118 174.900 -0.196 0.000 0.979 332 G CA 0.305 45.180 45.100 -0.375 0.000 0.641 332 G HN 1.218 nan 8.290 nan 0.000 0.530 333 S N -0.082 115.510 115.700 -0.180 0.000 2.549 333 S HA 0.686 5.884 4.470 1.213 0.000 0.286 333 S C 0.357 174.948 174.600 -0.015 0.000 1.314 333 S CA 0.693 58.808 58.200 -0.142 0.000 1.062 333 S CB 1.949 64.993 63.200 -0.260 0.000 0.865 333 S HN 1.961 nan 8.310 nan 0.000 0.498 334 A N 3.281 126.075 122.820 -0.044 0.000 2.374 334 A HA 0.751 5.799 4.320 1.213 0.000 0.317 334 A C -0.366 177.270 177.584 0.087 0.000 1.094 334 A CA -1.026 51.031 52.037 0.033 0.000 0.765 334 A CB 0.850 19.720 19.000 -0.217 0.000 1.268 334 A HN 0.892 nan 8.150 nan 0.000 0.438 335 I N 1.509 122.182 120.570 0.172 0.000 2.353 335 I HA 0.262 5.160 4.170 1.213 0.000 0.293 335 I C 0.045 176.371 176.117 0.349 0.000 0.992 335 I CA -0.019 61.413 61.300 0.220 0.000 1.268 335 I CB 1.844 39.977 38.000 0.222 0.000 1.387 335 I HN 0.529 nan 8.210 nan 0.000 0.478 336 S N 5.308 121.191 115.700 0.305 0.000 2.438 336 S HA 0.273 5.471 4.470 1.213 0.000 0.316 336 S C -0.531 174.092 174.600 0.038 0.000 1.084 336 S CA -0.468 57.854 58.200 0.203 0.000 1.107 336 S CB 0.257 63.589 63.200 0.220 0.000 0.981 336 S HN 0.443 nan 8.310 nan 0.000 0.466 337 H N 3.573 122.529 119.070 -0.190 0.000 2.488 337 H HA 0.418 5.707 4.556 1.222 0.000 0.322 337 H C -1.619 173.502 175.328 -0.346 0.000 1.078 337 H CA -0.576 55.347 56.048 -0.209 0.000 1.260 337 H CB 0.343 30.030 29.762 -0.125 0.000 1.425 337 H HN 0.433 nan 8.280 nan 0.000 0.471 338 F N 4.207 123.952 119.950 -0.343 0.000 2.426 338 F HA 0.146 5.411 4.527 1.230 0.000 0.348 338 F C 0.176 175.849 175.800 -0.211 0.000 1.124 338 F CA -0.803 57.092 58.000 -0.174 0.000 1.008 338 F CB 0.940 39.910 39.000 -0.050 0.000 1.139 338 F HN 0.604 nan 8.300 nan 0.000 0.452 339 H N 4.738 123.814 119.070 0.010 0.000 2.597 339 H HA 0.519 5.807 4.556 1.220 0.000 0.303 339 H C -0.806 174.554 175.328 0.053 0.000 1.057 339 H CA -0.716 55.352 56.048 0.032 0.000 1.261 339 H CB 0.450 30.280 29.762 0.115 0.000 1.397 339 H HN 0.494 nan 8.280 nan 0.000 0.461 340 I N 5.620 126.119 120.570 -0.118 0.000 2.336 340 I HA 0.401 5.299 4.170 1.213 0.000 0.292 340 I C 1.105 177.069 176.117 -0.255 0.000 0.991 340 I CA -0.015 61.203 61.300 -0.136 0.000 1.227 340 I CB 1.127 39.118 38.000 -0.016 0.000 1.366 340 I HN 0.935 nan 8.210 nan 0.000 0.466 341 G N 6.065 114.719 108.800 -0.243 0.000 2.645 341 G HA2 -0.264 4.424 3.960 1.213 0.000 0.239 341 G HA3 -0.264 4.424 3.960 1.213 0.000 0.239 341 G C -0.442 174.297 174.900 -0.268 0.000 1.331 341 G CA -0.362 44.616 45.100 -0.204 0.000 0.890 341 G HN 0.679 nan 8.290 nan 0.000 0.572 342 D N 1.563 121.881 120.400 -0.137 0.000 2.563 342 D HA 0.512 5.880 4.640 1.213 0.000 0.222 342 D C 1.158 177.452 176.300 -0.011 0.000 1.145 342 D CA 1.738 55.702 54.000 -0.061 0.000 1.001 342 D CB -0.507 40.287 40.800 -0.009 0.000 1.049 342 D HN 1.824 nan 8.370 nan 0.000 0.515 343 G N 1.693 110.486 108.800 -0.011 0.000 2.198 343 G HA2 -0.318 4.370 3.960 1.213 0.000 0.260 343 G HA3 -0.318 4.370 3.960 1.213 0.000 0.260 343 G C 1.135 176.079 174.900 0.073 0.000 1.025 343 G CA 0.334 45.530 45.100 0.160 0.000 0.769 343 G HN 0.521 nan 8.290 nan 0.000 0.507 344 L N -1.696 119.532 121.223 0.009 0.000 2.027 344 L HA 0.174 5.242 4.340 1.213 0.000 0.206 344 L C 1.274 178.236 176.870 0.153 0.000 1.074 344 L CA 1.789 56.660 54.840 0.052 0.000 0.745 344 L CB -0.049 42.014 42.059 0.007 0.000 0.898 344 L HN 0.550 nan 8.230 nan 0.000 0.433 345 H N -1.460 117.614 119.070 0.008 0.000 3.068 345 H HA 0.390 5.705 4.556 1.266 0.000 0.342 345 H C -1.317 174.041 175.328 0.050 0.000 1.284 345 H CA -0.818 55.248 56.048 0.030 0.000 1.181 345 H CB 1.262 31.033 29.762 0.014 0.000 1.898 345 H HN -0.061 nan 8.280 nan 0.000 0.540 346 N N 2.415 120.981 118.700 -0.223 0.000 2.352 346 N HA 0.423 5.891 4.740 1.213 0.000 0.291 346 N C -1.694 173.688 175.510 -0.213 0.000 1.040 346 N CA -0.584 52.378 53.050 -0.148 0.000 0.864 346 N CB 3.190 41.626 38.487 -0.085 0.000 1.440 346 N HN 0.226 nan 8.380 nan 0.000 0.483 347 V N 2.556 122.411 119.914 -0.098 0.000 2.588 347 V HA 0.475 5.323 4.120 1.213 0.000 0.304 347 V C -0.965 175.097 176.094 -0.053 0.000 1.042 347 V CA -0.450 61.831 62.300 -0.031 0.000 0.877 347 V CB 1.831 33.720 31.823 0.110 0.000 0.996 347 V HN 0.302 nan 8.190 nan 0.000 0.425 348 V N 7.483 127.309 119.914 -0.147 0.000 2.427 348 V HA 0.522 5.370 4.120 1.213 0.000 0.286 348 V C -0.559 175.508 176.094 -0.044 0.000 1.034 348 V CA -0.325 61.916 62.300 -0.098 0.000 0.893 348 V CB 1.483 33.104 31.823 -0.336 0.000 0.982 348 V HN 0.767 nan 8.190 nan 0.000 0.452 349 F N 3.030 123.023 119.950 0.072 0.000 2.385 349 F HA 0.313 5.559 4.527 1.198 0.000 0.360 349 F C 1.618 177.447 175.800 0.047 0.000 1.122 349 F CA -0.419 57.614 58.000 0.055 0.000 1.090 349 F CB 1.905 40.983 39.000 0.130 0.000 1.150 349 F HN 0.655 nan 8.300 nan 0.000 0.472 350 T N 0.269 114.904 114.554 0.135 0.000 3.023 350 T HA 0.314 5.391 4.350 1.213 0.000 0.266 350 T C 1.375 176.141 174.700 0.110 0.000 1.093 350 T CA 0.446 62.571 62.100 0.042 0.000 1.129 350 T CB -0.609 68.181 68.868 -0.130 0.000 0.899 350 T HN 0.945 nan 8.240 nan 0.000 0.491 351 G N 1.838 110.740 108.800 0.171 0.000 2.578 351 G HA2 -0.212 4.476 3.960 1.213 0.000 0.275 351 G HA3 -0.212 4.476 3.960 1.213 0.000 0.275 351 G C -0.995 173.886 174.900 -0.032 0.000 1.271 351 G CA -0.015 45.155 45.100 0.117 0.000 0.941 351 G HN 0.560 nan 8.290 nan 0.000 0.564 352 D N 0.620 120.809 120.400 -0.352 0.000 2.256 352 D HA 0.614 5.982 4.640 1.213 0.000 0.250 352 D C 0.227 176.193 176.300 -0.556 0.000 1.093 352 D CA 0.883 54.466 54.000 -0.695 0.000 0.882 352 D CB 0.996 40.942 40.800 -1.424 0.000 1.185 352 D HN 0.720 nan 8.370 nan 0.000 0.437 353 Y N -1.599 118.408 120.300 -0.489 0.000 2.638 353 Y HA 0.586 5.864 4.550 1.214 0.000 0.335 353 Y C -1.277 174.528 175.900 -0.158 0.000 1.155 353 Y CA -1.362 56.557 58.100 -0.302 0.000 1.046 353 Y CB 1.614 39.876 38.460 -0.331 0.000 1.303 353 Y HN 0.126 nan 8.280 nan 0.000 0.460 354 K N 1.980 122.454 120.400 0.124 0.000 2.613 354 K HA 0.293 5.341 4.320 1.213 0.000 0.248 354 K C -2.140 174.631 176.600 0.286 0.000 0.959 354 K CA -0.806 55.554 56.287 0.121 0.000 0.855 354 K CB 0.906 33.464 32.500 0.096 0.000 1.143 354 K HN 0.754 nan 8.250 nan 0.000 0.437 355 Y N 4.377 124.785 120.300 0.180 0.000 2.830 355 Y HA 0.275 5.554 4.550 1.216 0.000 0.371 355 Y C -0.946 175.036 175.900 0.138 0.000 1.246 355 Y CA -0.158 58.075 58.100 0.223 0.000 1.890 355 Y CB -0.106 38.563 38.460 0.349 0.000 1.995 355 Y HN 0.658 nan 8.280 nan 0.000 0.430 356 E N 1.094 121.328 120.200 0.057 0.000 2.400 356 E HA 0.405 5.483 4.350 1.213 0.000 0.285 356 E C -1.401 175.213 176.600 0.024 0.000 1.005 356 E CA -0.639 55.739 56.400 -0.037 0.000 0.816 356 E CB 0.937 30.630 29.700 -0.010 0.000 1.220 356 E HN 0.244 nan 8.360 nan 0.000 0.426 357 K N 1.181 121.580 120.400 -0.002 0.000 2.379 357 K HA 0.384 5.432 4.320 1.213 0.000 0.284 357 K C 0.123 176.746 176.600 0.038 0.000 1.044 357 K CA 0.479 56.786 56.287 0.034 0.000 0.974 357 K CB 0.522 33.028 32.500 0.010 0.000 0.962 357 K HN 0.517 nan 8.250 nan 0.000 0.474 358 T N -1.646 112.949 114.554 0.069 0.000 2.841 358 T HA 0.465 5.543 4.350 1.213 0.000 0.276 358 T C 1.170 175.875 174.700 0.007 0.000 1.003 358 T CA -0.668 61.462 62.100 0.049 0.000 0.995 358 T CB 1.178 70.106 68.868 0.101 0.000 1.260 358 T HN 0.442 nan 8.240 nan 0.000 0.581 359 R N -0.487 120.010 120.500 -0.005 0.000 2.117 359 R HA 0.100 5.168 4.340 1.213 0.000 0.243 359 R C 1.949 178.175 176.300 -0.123 0.000 1.143 359 R CA 1.572 57.650 56.100 -0.037 0.000 0.968 359 R CB -1.185 29.117 30.300 0.003 0.000 0.863 359 R HN 0.720 nan 8.270 nan 0.000 0.444 360 L N -2.183 118.877 121.223 -0.271 0.000 2.500 360 L HA 0.285 5.353 4.340 1.213 0.000 0.219 360 L C -0.264 176.206 176.870 -0.666 0.000 1.057 360 L CA -0.131 54.329 54.840 -0.633 0.000 0.854 360 L CB 0.269 41.579 42.059 -1.248 0.000 1.078 360 L HN -0.042 nan 8.230 nan 0.000 0.480 361 F N -1.320 118.689 119.950 0.098 0.000 2.640 361 F HA 0.401 5.657 4.527 1.215 0.000 0.324 361 F C -0.003 175.838 175.800 0.068 0.000 1.077 361 F CA -1.481 56.575 58.000 0.094 0.000 0.965 361 F CB 0.672 39.731 39.000 0.100 0.000 1.351 361 F HN -0.246 nan 8.300 nan 0.000 0.487 362 D N 1.038 121.604 120.400 0.278 0.000 2.387 362 D HA 0.314 5.682 4.640 1.213 0.000 0.251 362 D C -2.485 173.908 176.300 0.154 0.000 1.141 362 D CA -1.121 52.972 54.000 0.155 0.000 0.987 362 D CB 0.773 41.637 40.800 0.108 0.000 1.116 362 D HN 0.050 nan 8.370 nan 0.000 0.491 363 P HA 0.095 nan 4.420 nan 0.000 0.269 363 P C -0.665 176.763 177.300 0.213 0.000 1.215 363 P CA -0.241 62.951 63.100 0.154 0.000 0.780 363 P CB 0.294 32.033 31.700 0.064 0.000 0.898 364 A N 2.490 125.491 122.820 0.301 0.000 2.586 364 A HA 0.093 5.141 4.320 1.213 0.000 0.231 364 A C 0.178 177.933 177.584 0.285 0.000 1.055 364 A CA 0.123 52.313 52.037 0.254 0.000 0.756 364 A CB -0.398 18.730 19.000 0.213 0.000 0.988 364 A HN 0.395 nan 8.150 nan 0.000 0.509 365 V N 2.792 122.781 119.914 0.125 0.000 2.465 365 V HA 0.271 5.119 4.120 1.213 0.000 0.279 365 V C 0.504 176.461 176.094 -0.229 0.000 1.045 365 V CA 0.263 62.526 62.300 -0.063 0.000 0.938 365 V CB 1.284 33.011 31.823 -0.159 0.000 0.986 365 V HN 1.074 nan 8.190 nan 0.000 0.467 366 N N 2.694 121.054 118.700 -0.567 0.000 2.377 366 N HA 0.137 5.605 4.740 1.213 0.000 0.259 366 N C -0.320 174.544 175.510 -1.078 0.000 1.332 366 N CA -0.463 52.019 53.050 -0.947 0.000 0.877 366 N CB 0.506 38.220 38.487 -1.288 0.000 1.299 366 N HN 0.288 nan 8.380 nan 0.000 0.501 367 K N 0.996 120.674 120.400 -1.202 0.000 2.274 367 K HA 0.466 5.514 4.320 1.213 0.000 0.262 367 K C -1.467 174.422 176.600 -1.185 0.000 0.961 367 K CA -0.339 55.423 56.287 -0.875 0.000 0.833 367 K CB 0.669 32.882 32.500 -0.480 0.000 1.102 367 K HN 0.056 nan 8.250 nan 0.000 0.436 368 F N 2.899 122.700 119.950 -0.248 0.000 2.643 368 F HA 0.372 5.632 4.527 1.221 0.000 0.314 368 F C -1.463 174.215 175.800 -0.205 0.000 1.096 368 F CA -1.979 55.844 58.000 -0.293 0.000 0.953 368 F CB 1.055 39.878 39.000 -0.295 0.000 1.345 368 F HN 0.323 nan 8.300 nan 0.000 0.468 369 P HA 0.020 nan 4.420 nan 0.000 0.217 369 P C -0.341 176.961 177.300 0.004 0.000 1.151 369 P CA 1.321 64.397 63.100 -0.042 0.000 0.828 369 P CB 0.406 32.053 31.700 -0.088 0.000 0.788 370 R N -1.479 119.058 120.500 0.061 0.000 2.707 370 R HA 0.582 5.650 4.340 1.213 0.000 0.272 370 R C -1.798 174.589 176.300 0.145 0.000 1.011 370 R CA -0.799 55.349 56.100 0.081 0.000 0.893 370 R CB 2.831 33.157 30.300 0.044 0.000 1.233 370 R HN -0.336 nan 8.270 nan 0.000 0.464 371 V N 1.385 121.324 119.914 0.043 0.000 2.697 371 V HA 0.237 5.085 4.120 1.213 0.000 0.300 371 V C -0.455 175.570 176.094 -0.114 0.000 1.115 371 V CA -0.777 61.495 62.300 -0.046 0.000 0.912 371 V CB 1.754 33.565 31.823 -0.021 0.000 1.024 371 V HN 0.806 nan 8.190 nan 0.000 0.431 372 E N 1.393 121.451 120.200 -0.236 0.000 2.290 372 E HA 0.209 5.287 4.350 1.213 0.000 0.197 372 E C 0.430 176.958 176.600 -0.121 0.000 0.948 372 E CA 0.765 57.019 56.400 -0.243 0.000 0.895 372 E CB 0.674 30.070 29.700 -0.506 0.000 0.865 372 E HN 0.772 nan 8.360 nan 0.000 0.486 373 T N 0.425 114.928 114.554 -0.086 0.000 2.848 373 T HA 0.569 5.647 4.350 1.213 0.000 0.285 373 T C -0.909 173.762 174.700 -0.047 0.000 0.995 373 T CA -0.636 61.485 62.100 0.035 0.000 0.970 373 T CB 2.099 71.095 68.868 0.214 0.000 0.976 373 T HN -0.256 nan 8.240 nan 0.000 0.441 374 V N 4.060 123.948 119.914 -0.043 0.000 2.495 374 V HA 0.540 5.388 4.120 1.213 0.000 0.298 374 V C -0.576 175.474 176.094 -0.073 0.000 1.031 374 V CA -0.817 61.434 62.300 -0.082 0.000 0.871 374 V CB 1.625 33.426 31.823 -0.037 0.000 0.988 374 V HN 0.783 nan 8.190 nan 0.000 0.432 375 I N 3.907 124.333 120.570 -0.240 0.000 2.354 375 I HA 0.461 5.359 4.170 1.213 0.000 0.286 375 I C 0.199 176.232 176.117 -0.139 0.000 1.007 375 I CA 0.384 61.524 61.300 -0.266 0.000 1.167 375 I CB 1.739 39.274 38.000 -0.775 0.000 1.320 375 I HN 0.601 nan 8.210 nan 0.000 0.458 376 S N 5.005 120.705 115.700 0.001 0.000 2.532 376 S HA 0.506 5.704 4.470 1.213 0.000 0.301 376 S C -0.345 174.335 174.600 0.132 0.000 1.083 376 S CA -0.799 57.466 58.200 0.108 0.000 1.025 376 S CB 0.945 64.243 63.200 0.163 0.000 1.056 376 S HN 0.667 nan 8.310 nan 0.000 0.494 377 E N 2.152 122.455 120.200 0.172 0.000 2.409 377 E HA 0.517 5.595 4.350 1.213 0.000 0.257 377 E C 0.040 176.679 176.600 0.065 0.000 1.150 377 E CA -0.241 56.217 56.400 0.097 0.000 0.942 377 E CB 0.569 30.228 29.700 -0.068 0.000 0.979 377 E HN 0.556 nan 8.360 nan 0.000 0.447 378 A N 1.638 124.496 122.820 0.064 0.000 2.543 378 A HA 0.162 5.210 4.320 1.213 0.000 0.279 378 A C 1.071 178.620 177.584 -0.059 0.000 0.917 378 A CA -0.125 51.920 52.037 0.014 0.000 1.036 378 A CB -0.199 18.823 19.000 0.037 0.000 1.227 378 A HN 0.622 nan 8.150 nan 0.000 0.503 379 T N -0.512 113.978 114.554 -0.106 0.000 2.665 379 T HA -0.176 4.902 4.350 1.213 0.000 0.268 379 T C 0.733 175.166 174.700 -0.445 0.000 1.035 379 T CA 1.807 63.689 62.100 -0.364 0.000 1.151 379 T CB -0.429 67.997 68.868 -0.737 0.000 0.862 379 T HN 0.524 nan 8.240 nan 0.000 0.438 380 Y N 1.155 121.285 120.300 -0.284 0.000 2.867 380 Y HA 0.499 5.777 4.550 1.212 0.000 0.351 380 Y C 1.761 177.556 175.900 -0.174 0.000 1.046 380 Y CA -1.152 56.823 58.100 -0.209 0.000 1.520 380 Y CB -0.180 38.187 38.460 -0.155 0.000 1.337 380 Y HN 0.195 nan 8.280 nan 0.000 0.525 381 G N -0.423 108.337 108.800 -0.067 0.000 2.623 381 G HA2 -0.136 4.551 3.960 1.213 0.000 0.214 381 G HA3 -0.136 4.551 3.960 1.213 0.000 0.214 381 G C 0.750 175.608 174.900 -0.071 0.000 1.138 381 G CA -0.171 44.899 45.100 -0.049 0.000 0.794 381 G HN 0.233 nan 8.290 nan 0.000 0.535 382 N N 0.613 119.252 118.700 -0.102 0.000 2.395 382 N HA 0.106 5.574 4.740 1.213 0.000 0.246 382 N C 1.611 177.033 175.510 -0.146 0.000 1.246 382 N CA 0.527 53.515 53.050 -0.103 0.000 0.879 382 N CB 1.185 39.608 38.487 -0.106 0.000 1.098 382 N HN 0.077 nan 8.380 nan 0.000 0.444 383 A N 3.049 125.809 122.820 -0.100 0.000 2.032 383 A HA -0.210 4.838 4.320 1.213 0.000 0.221 383 A C 1.813 179.279 177.584 -0.198 0.000 1.165 383 A CA 1.597 53.575 52.037 -0.099 0.000 0.645 383 A CB -0.480 18.513 19.000 -0.012 0.000 0.807 383 A HN 0.859 nan 8.150 nan 0.000 0.453 384 N N -0.901 117.693 118.700 -0.176 0.000 2.424 384 N HA 0.165 5.633 4.740 1.213 0.000 0.178 384 N C 0.699 176.050 175.510 -0.265 0.000 1.060 384 N CA 0.442 53.416 53.050 -0.126 0.000 0.901 384 N CB -0.062 38.404 38.487 -0.036 0.000 0.979 384 N HN 0.365 nan 8.380 nan 0.000 0.451 385 A N 0.780 123.344 122.820 -0.427 0.000 3.260 385 A HA 0.288 5.336 4.320 1.213 0.000 0.268 385 A C -0.756 176.711 177.584 -0.195 0.000 1.491 385 A CA -0.501 51.430 52.037 -0.177 0.000 1.181 385 A CB -0.769 18.200 19.000 -0.052 0.000 1.137 385 A HN 0.126 nan 8.150 nan 0.000 0.642 386 F N 0.390 120.415 119.950 0.125 0.000 2.380 386 F HA 0.468 5.724 4.527 1.214 0.000 0.325 386 F C 1.031 176.878 175.800 0.078 0.000 1.136 386 F CA -0.228 57.818 58.000 0.078 0.000 1.171 386 F CB 0.865 39.898 39.000 0.056 0.000 1.230 386 F HN 0.571 nan 8.300 nan 0.000 0.554 387 Q N 1.624 121.543 119.800 0.198 0.000 2.423 387 Q HA 0.587 5.655 4.340 1.213 0.000 0.278 387 Q C -3.044 173.005 176.000 0.080 0.000 1.097 387 Q CA -2.156 53.709 55.803 0.103 0.000 0.809 387 Q CB 2.044 30.754 28.738 -0.047 0.000 1.391 387 Q HN 0.317 nan 8.270 nan 0.000 0.428 388 P HA 0.140 nan 4.420 nan 0.000 0.272 388 P C -0.600 176.698 177.300 -0.004 0.000 1.230 388 P CA -0.139 62.989 63.100 0.048 0.000 0.788 388 P CB 0.513 32.261 31.700 0.080 0.000 0.949 389 A N 0.874 123.693 122.820 -0.003 0.000 2.520 389 A HA 0.320 5.367 4.320 1.213 0.000 0.235 389 A C 2.058 179.616 177.584 -0.045 0.000 1.065 389 A CA 0.265 52.289 52.037 -0.021 0.000 0.764 389 A CB -0.658 18.336 19.000 -0.010 0.000 1.002 389 A HN 0.657 nan 8.150 nan 0.000 0.502 390 L N 2.257 123.445 121.223 -0.057 0.000 1.997 390 L HA -0.127 4.941 4.340 1.213 0.000 0.216 390 L C 2.838 179.692 176.870 -0.027 0.000 1.074 390 L CA 3.836 58.634 54.840 -0.071 0.000 0.763 390 L CB -2.565 39.468 42.059 -0.043 0.000 0.890 390 L HN 1.215 nan 8.230 nan 0.000 0.434 391 K N -0.780 119.618 120.400 -0.004 0.000 2.057 391 K HA -0.240 4.807 4.320 1.213 0.000 0.207 391 K C 2.035 178.657 176.600 0.035 0.000 1.049 391 K CA 1.685 57.983 56.287 0.018 0.000 0.931 391 K CB -1.305 31.203 32.500 0.012 0.000 0.714 391 K HN 0.779 nan 8.250 nan 0.000 0.440 392 D N 0.006 120.423 120.400 0.029 0.000 2.178 392 D HA 0.026 5.394 4.640 1.213 0.000 0.202 392 D C 2.177 178.536 176.300 0.099 0.000 0.974 392 D CA 1.359 55.389 54.000 0.051 0.000 0.841 392 D CB -0.198 40.624 40.800 0.037 0.000 0.953 392 D HN 0.494 nan 8.370 nan 0.000 0.478 393 A N 0.951 123.809 122.820 0.063 0.000 1.898 393 A HA -0.131 4.916 4.320 1.213 0.000 0.216 393 A C 2.318 180.029 177.584 0.212 0.000 1.181 393 A CA 2.346 54.432 52.037 0.082 0.000 0.620 393 A CB -0.885 18.004 19.000 -0.185 0.000 0.819 393 A HN 0.288 nan 8.150 nan 0.000 0.442 394 E N -0.068 120.236 120.200 0.172 0.000 2.031 394 E HA -0.217 4.860 4.350 1.213 0.000 0.193 394 E C 2.192 178.906 176.600 0.191 0.000 0.994 394 E CA 2.091 58.627 56.400 0.226 0.000 0.800 394 E CB -0.947 28.845 29.700 0.153 0.000 0.752 394 E HN 0.497 nan 8.360 nan 0.000 0.447 395 K N -0.957 119.531 120.400 0.147 0.000 2.063 395 K HA -0.193 4.854 4.320 1.213 0.000 0.208 395 K C 2.178 178.887 176.600 0.182 0.000 1.048 395 K CA 1.864 58.226 56.287 0.126 0.000 0.928 395 K CB -0.870 31.679 32.500 0.082 0.000 0.713 395 K HN 0.849 nan 8.250 nan 0.000 0.442 396 H N -1.241 117.886 119.070 0.096 0.000 2.321 396 H HA -0.097 5.186 4.556 1.213 0.000 0.300 396 H C 2.201 177.600 175.328 0.119 0.000 1.087 396 H CA 1.619 57.729 56.048 0.104 0.000 1.319 396 H CB -0.071 29.761 29.762 0.117 0.000 1.379 396 H HN 0.199 nan 8.280 nan 0.000 0.501 397 L N 1.259 122.625 121.223 0.238 0.000 2.079 397 L HA -0.202 4.866 4.340 1.213 0.000 0.210 397 L C 2.257 179.186 176.870 0.099 0.000 1.081 397 L CA 1.577 56.492 54.840 0.125 0.000 0.752 397 L CB -0.553 41.594 42.059 0.147 0.000 0.896 397 L HN 0.377 nan 8.230 nan 0.000 0.433 398 Q N -1.784 118.088 119.800 0.119 0.000 2.079 398 Q HA -0.186 4.881 4.340 1.213 0.000 0.200 398 Q C 2.135 178.180 176.000 0.075 0.000 0.974 398 Q CA 1.619 57.470 55.803 0.080 0.000 0.840 398 Q CB -0.189 28.595 28.738 0.076 0.000 0.898 398 Q HN 0.444 nan 8.270 nan 0.000 0.430 399 M N -0.148 119.517 119.600 0.108 0.000 2.175 399 M HA -0.114 5.094 4.480 1.213 0.000 0.264 399 M C 2.261 178.618 176.300 0.095 0.000 1.063 399 M CA 1.057 56.415 55.300 0.097 0.000 1.119 399 M CB -0.541 32.124 32.600 0.108 0.000 1.377 399 M HN 0.104 nan 8.290 nan 0.000 0.415 400 V N -0.128 119.861 119.914 0.124 0.000 2.295 400 V HA -0.152 4.696 4.120 1.213 0.000 0.246 400 V C 1.684 177.798 176.094 0.033 0.000 1.049 400 V CA 0.777 63.126 62.300 0.082 0.000 1.024 400 V CB -0.518 31.340 31.823 0.059 0.000 0.648 400 V HN 0.106 nan 8.190 nan 0.000 0.447 411 A N 5.794 128.537 122.820 -0.128 0.000 2.280 411 A HA 0.712 5.759 4.320 1.213 0.000 0.320 411 A C -0.545 176.992 177.584 -0.078 0.000 1.366 411 A CA -0.559 51.423 52.037 -0.091 0.000 0.938 411 A CB 0.788 19.746 19.000 -0.071 0.000 1.157 411 A HN 0.586 nan 8.150 nan 0.000 0.536 412 V N 4.505 124.379 119.914 -0.066 0.000 2.461 412 V HA 0.297 5.145 4.120 1.213 0.000 0.275 412 V C 0.008 176.048 176.094 -0.090 0.000 1.047 412 V CA 0.079 62.357 62.300 -0.037 0.000 0.955 412 V CB 0.895 32.738 31.823 0.034 0.000 0.988 412 V HN 0.697 nan 8.190 nan 0.000 0.471 413 I N 7.494 128.015 120.570 -0.082 0.000 2.495 413 I HA 0.335 5.233 4.170 1.213 0.000 0.277 413 I C -2.409 173.648 176.117 -0.100 0.000 1.045 413 I CA -1.851 59.382 61.300 -0.113 0.000 1.135 413 I CB 2.037 39.977 38.000 -0.099 0.000 1.241 413 I HN 0.411 nan 8.210 nan 0.000 0.469 414 P HA 0.328 nan 4.420 nan 0.000 0.271 414 P C -0.653 176.567 177.300 -0.134 0.000 1.218 414 P CA 0.058 63.082 63.100 -0.126 0.000 0.780 414 P CB 1.807 33.433 31.700 -0.123 0.000 0.901 415 A N 1.996 124.699 122.820 -0.194 0.000 2.610 415 A HA 0.660 5.708 4.320 1.213 0.000 0.291 415 A C -1.346 176.061 177.584 -0.297 0.000 1.086 415 A CA -0.602 51.332 52.037 -0.172 0.000 0.677 415 A CB 0.646 19.625 19.000 -0.035 0.000 1.278 415 A HN 0.282 nan 8.150 nan 0.000 0.414 416 F N 0.788 120.772 119.950 0.057 0.000 2.371 416 F HA 0.521 5.777 4.527 1.215 0.000 0.329 416 F C 1.761 177.608 175.800 0.079 0.000 1.107 416 F CA 0.590 58.631 58.000 0.069 0.000 1.137 416 F CB 1.406 40.458 39.000 0.086 0.000 1.214 416 F HN 0.806 nan 8.300 nan 0.000 0.536 417 A N 1.697 124.679 122.820 0.271 0.000 1.903 417 A HA -0.113 4.935 4.320 1.213 0.000 0.219 417 A C 0.691 178.374 177.584 0.165 0.000 1.191 417 A CA 2.028 54.167 52.037 0.169 0.000 0.638 417 A CB -0.579 18.510 19.000 0.148 0.000 0.823 417 A HN 0.496 nan 8.150 nan 0.000 0.451 418 V N -2.088 117.968 119.914 0.237 0.000 2.588 418 V HA 0.644 5.492 4.120 1.213 0.000 0.304 418 V C 0.443 176.713 176.094 0.294 0.000 1.042 418 V CA 0.794 63.227 62.300 0.220 0.000 0.877 418 V CB 1.013 32.932 31.823 0.160 0.000 0.996 418 V HN 1.598 nan 8.190 nan 0.000 0.425 419 G N 6.769 115.725 108.800 0.261 0.000 1.829 419 G HA2 -0.167 4.521 3.960 1.213 0.000 0.214 419 G HA3 -0.167 4.521 3.960 1.213 0.000 0.214 419 G C 0.727 175.792 174.900 0.275 0.000 1.627 419 G CA 0.212 45.474 45.100 0.269 0.000 1.390 419 G HN 0.704 nan 8.290 nan 0.000 0.458 420 R N 1.514 122.210 120.500 0.326 0.000 2.115 420 R HA 0.117 5.185 4.340 1.213 0.000 0.226 420 R C 3.002 179.401 176.300 0.165 0.000 1.100 420 R CA 1.958 58.229 56.100 0.284 0.000 0.980 420 R CB -0.282 30.202 30.300 0.307 0.000 0.875 420 R HN 0.530 nan 8.270 nan 0.000 0.445 421 S N 1.044 116.825 115.700 0.135 0.000 2.356 421 S HA -0.194 5.004 4.470 1.213 0.000 0.223 421 S C 1.921 176.537 174.600 0.027 0.000 1.032 421 S CA 0.893 59.124 58.200 0.051 0.000 1.005 421 S CB -0.215 63.008 63.200 0.038 0.000 0.867 421 S HN 0.177 nan 8.310 nan 0.000 0.449 422 Q N 1.279 121.095 119.800 0.028 0.000 2.046 422 Q HA 0.057 5.125 4.340 1.213 0.000 0.200 422 Q C 2.343 178.427 176.000 0.141 0.000 0.975 422 Q CA 1.581 57.385 55.803 0.001 0.000 0.836 422 Q CB -0.393 28.264 28.738 -0.136 0.000 0.896 422 Q HN 0.650 nan 8.270 nan 0.000 0.428 423 E N -0.283 120.019 120.200 0.171 0.000 2.118 423 E HA -0.176 4.902 4.350 1.213 0.000 0.195 423 E C 1.932 178.649 176.600 0.194 0.000 0.992 423 E CA 1.384 57.918 56.400 0.223 0.000 0.804 423 E CB 0.037 29.941 29.700 0.340 0.000 0.741 423 E HN 0.169 nan 8.360 nan 0.000 0.458 424 V N 1.089 121.039 119.914 0.060 0.000 2.343 424 V HA -0.288 4.560 4.120 1.213 0.000 0.247 424 V C 2.331 178.456 176.094 0.052 0.000 1.051 424 V CA 1.673 63.908 62.300 -0.108 0.000 1.036 424 V CB -0.397 31.296 31.823 -0.216 0.000 0.654 424 V HN 0.309 nan 8.190 nan 0.000 0.451 425 M N -0.859 118.816 119.600 0.125 0.000 2.159 425 M HA -0.157 5.051 4.480 1.213 0.000 0.263 425 M C 2.126 178.629 176.300 0.338 0.000 1.063 425 M CA 1.986 57.446 55.300 0.266 0.000 1.110 425 M CB -0.472 32.183 32.600 0.091 0.000 1.374 425 M HN 0.260 nan 8.290 nan 0.000 0.411 426 I N -0.799 119.902 120.570 0.219 0.000 2.315 426 I HA -0.230 4.668 4.170 1.213 0.000 0.248 426 I C 2.254 178.438 176.117 0.111 0.000 1.117 426 I CA 0.863 62.232 61.300 0.115 0.000 1.404 426 I CB -0.233 37.789 38.000 0.036 0.000 1.071 426 I HN 0.049 nan 8.210 nan 0.000 0.419 427 V N 0.879 120.872 119.914 0.132 0.000 2.358 427 V HA -0.242 4.606 4.120 1.213 0.000 0.246 427 V C 2.318 178.466 176.094 0.090 0.000 1.047 427 V CA 1.581 63.954 62.300 0.121 0.000 1.035 427 V CB -0.315 31.612 31.823 0.174 0.000 0.658 427 V HN 0.333 nan 8.190 nan 0.000 0.452 428 L N 0.085 121.367 121.223 0.099 0.000 2.005 428 L HA -0.148 4.920 4.340 1.213 0.000 0.207 428 L C 3.043 179.929 176.870 0.026 0.000 1.072 428 L CA 2.106 56.987 54.840 0.067 0.000 0.744 428 L CB -1.104 41.014 42.059 0.097 0.000 0.895 428 L HN 0.483 nan 8.230 nan 0.000 0.433 429 E N 0.451 120.684 120.200 0.055 0.000 2.085 429 E HA -0.332 4.746 4.350 1.213 0.000 0.194 429 E C 1.983 178.565 176.600 -0.029 0.000 0.994 429 E CA 1.757 58.127 56.400 -0.050 0.000 0.801 429 E CB -0.783 28.934 29.700 0.028 0.000 0.743 429 E HN 0.663 nan 8.360 nan 0.000 0.453 430 E N -0.080 120.125 120.200 0.009 0.000 2.072 430 E HA -0.139 4.939 4.350 1.213 0.000 0.191 430 E C 2.454 179.054 176.600 -0.000 0.000 0.985 430 E CA 1.255 57.657 56.400 0.002 0.000 0.801 430 E CB -0.063 29.646 29.700 0.015 0.000 0.750 430 E HN 0.502 nan 8.360 nan 0.000 0.452 431 S N 0.807 116.513 115.700 0.009 0.000 2.348 431 S HA -0.151 5.047 4.470 1.213 0.000 0.221 431 S C 2.009 176.601 174.600 -0.012 0.000 1.033 431 S CA 1.156 59.360 58.200 0.007 0.000 1.010 431 S CB -0.270 62.941 63.200 0.019 0.000 0.891 431 S HN 0.308 nan 8.310 nan 0.000 0.442 432 I N 1.289 121.840 120.570 -0.032 0.000 2.208 432 I HA -0.220 4.678 4.170 1.213 0.000 0.245 432 I C 2.808 178.898 176.117 -0.046 0.000 1.097 432 I CA 1.310 62.580 61.300 -0.050 0.000 1.363 432 I CB -0.406 37.542 38.000 -0.087 0.000 1.051 432 I HN 0.258 nan 8.210 nan 0.000 0.413 433 R N 1.518 121.991 120.500 -0.045 0.000 2.073 433 R HA -0.184 4.884 4.340 1.213 0.000 0.234 433 R C 2.236 178.522 176.300 -0.025 0.000 1.134 433 R CA 1.627 57.705 56.100 -0.038 0.000 0.952 433 R CB -0.004 30.276 30.300 -0.035 0.000 0.850 433 R HN 0.249 nan 8.270 nan 0.000 0.433 434 K N -1.419 118.970 120.400 -0.017 0.000 2.228 434 K HA 0.061 5.109 4.320 1.213 0.000 0.202 434 K C 0.635 177.229 176.600 -0.010 0.000 1.051 434 K CA 0.820 57.100 56.287 -0.010 0.000 0.960 434 K CB 0.355 32.853 32.500 -0.003 0.000 0.743 434 K HN 0.483 nan 8.250 nan 0.000 0.458 435 G N 0.796 109.588 108.800 -0.013 0.000 2.288 435 G HA2 -0.159 4.529 3.960 1.213 0.000 0.205 435 G HA3 -0.159 4.529 3.960 1.213 0.000 0.205 435 G C 0.213 175.109 174.900 -0.006 0.000 1.071 435 G CA -0.472 44.620 45.100 -0.013 0.000 0.788 435 G HN 0.031 nan 8.290 nan 0.000 0.491 436 L N 0.100 121.322 121.223 -0.002 0.000 2.168 436 L HA 0.443 5.511 4.340 1.213 0.000 0.203 436 L C 1.795 178.668 176.870 0.006 0.000 1.078 436 L CA 1.438 56.282 54.840 0.008 0.000 0.780 436 L CB -0.150 41.920 42.059 0.018 0.000 0.939 436 L HN 0.616 nan 8.230 nan 0.000 0.451 437 I N -3.810 116.760 120.570 -0.001 0.000 2.378 437 I HA 0.334 5.232 4.170 1.213 0.000 0.291 437 I C -1.727 174.379 176.117 -0.019 0.000 0.992 437 I CA -1.986 59.309 61.300 -0.008 0.000 1.154 437 I CB 1.201 39.196 38.000 -0.008 0.000 1.315 437 I HN -0.158 nan 8.210 nan 0.000 0.448 438 P HA -0.150 nan 4.420 nan 0.000 0.214 438 P C 0.021 177.300 177.300 -0.035 0.000 1.163 438 P CA 1.446 64.531 63.100 -0.025 0.000 0.889 438 P CB 0.229 31.915 31.700 -0.023 0.000 0.790 439 E N -3.417 116.758 120.200 -0.042 0.000 2.381 439 E HA 0.464 5.542 4.350 1.213 0.000 0.281 439 E C -2.115 174.451 176.600 -0.057 0.000 1.151 439 E CA -0.688 55.679 56.400 -0.054 0.000 0.904 439 E CB 0.874 30.544 29.700 -0.050 0.000 1.234 439 E HN -0.264 nan 8.360 nan 0.000 0.427 440 V N 2.180 122.052 119.914 -0.070 0.000 2.934 440 V HA 0.300 5.147 4.120 1.213 0.000 0.256 440 V C -2.628 173.419 176.094 -0.078 0.000 1.791 440 V CA -1.031 61.229 62.300 -0.067 0.000 0.927 440 V CB 2.156 33.943 31.823 -0.060 0.000 1.354 440 V HN 0.662 nan 8.190 nan 0.000 0.455 441 P HA 0.250 nan 4.420 nan 0.000 0.271 441 P C -0.613 176.663 177.300 -0.040 0.000 1.233 441 P CA 0.107 63.170 63.100 -0.062 0.000 0.764 441 P CB 0.857 32.528 31.700 -0.048 0.000 0.825 442 V N 3.824 123.724 119.914 -0.024 0.000 2.284 442 V HA 0.219 5.067 4.120 1.213 0.000 0.260 442 V C 0.908 177.068 176.094 0.110 0.000 1.084 442 V CA -0.370 61.967 62.300 0.061 0.000 0.894 442 V CB -1.099 30.808 31.823 0.140 0.000 1.119 442 V HN 0.527 nan 8.190 nan 0.000 0.484 443 Y N 4.802 125.134 120.300 0.053 0.000 2.397 443 Y HA 0.702 5.980 4.550 1.213 0.000 0.335 443 Y C -0.028 175.902 175.900 0.051 0.000 1.213 443 Y CA -0.843 57.279 58.100 0.037 0.000 1.391 443 Y CB 0.368 38.842 38.460 0.023 0.000 1.293 443 Y HN 0.646 nan 8.280 nan 0.000 0.557 444 L N 5.107 126.347 121.223 0.028 0.000 2.406 444 L HA 0.407 5.474 4.340 1.213 0.000 0.270 444 L C -1.276 175.616 176.870 0.036 0.000 0.982 444 L CA -0.792 54.069 54.840 0.035 0.000 0.843 444 L CB 1.788 43.868 42.059 0.035 0.000 1.225 444 L HN 0.825 nan 8.230 nan 0.000 0.412 445 D N 1.942 122.366 120.400 0.040 0.000 2.457 445 D HA 0.572 5.940 4.640 1.213 0.000 0.240 445 D C 0.516 176.845 176.300 0.049 0.000 1.041 445 D CA 0.298 54.323 54.000 0.042 0.000 0.861 445 D CB 2.575 43.396 40.800 0.035 0.000 1.394 445 D HN 0.668 nan 8.370 nan 0.000 0.473 446 G N 3.561 112.395 108.800 0.056 0.000 2.341 446 G HA2 -0.169 4.519 3.960 1.213 0.000 0.278 446 G HA3 -0.169 4.519 3.960 1.213 0.000 0.278 446 G C 0.770 175.714 174.900 0.073 0.000 1.111 446 G CA 0.310 45.446 45.100 0.060 0.000 0.982 446 G HN 0.567 nan 8.290 nan 0.000 0.502 447 M N -2.715 116.935 119.600 0.083 0.000 2.939 447 M HA -0.203 5.005 4.480 1.213 0.000 0.194 447 M C 1.723 178.069 176.300 0.077 0.000 0.617 447 M CA 1.555 56.906 55.300 0.084 0.000 0.734 447 M CB -2.568 30.076 32.600 0.072 0.000 2.637 447 M HN 0.522 nan 8.290 nan 0.000 0.316 448 I N -0.761 119.860 120.570 0.085 0.000 2.179 448 I HA -0.294 4.603 4.170 1.213 0.000 0.242 448 I C 2.299 178.440 176.117 0.040 0.000 1.088 448 I CA 2.263 63.595 61.300 0.055 0.000 1.357 448 I CB -0.317 37.712 38.000 0.048 0.000 1.051 448 I HN 0.631 nan 8.210 nan 0.000 0.409 449 W N 2.070 123.306 121.300 -0.106 0.000 2.355 449 W HA -0.277 5.111 4.660 1.214 0.000 0.309 449 W C 2.435 178.889 176.519 -0.109 0.000 1.206 449 W CA 1.828 59.093 57.345 -0.134 0.000 1.284 449 W CB -0.071 29.341 29.460 -0.080 0.000 1.145 449 W HN 0.137 nan 8.180 nan 0.000 0.502 450 E N 1.048 121.203 120.200 -0.075 0.000 2.118 450 E HA -0.182 4.896 4.350 1.213 0.000 0.195 450 E C 2.107 178.597 176.600 -0.185 0.000 0.992 450 E CA 2.230 58.530 56.400 -0.166 0.000 0.804 450 E CB -0.705 28.984 29.700 -0.019 0.000 0.741 450 E HN 0.183 nan 8.360 nan 0.000 0.458 451 A N -0.578 122.172 122.820 -0.116 0.000 1.933 451 A HA -0.150 4.898 4.320 1.213 0.000 0.218 451 A C 2.408 179.935 177.584 -0.095 0.000 1.175 451 A CA 1.992 53.994 52.037 -0.058 0.000 0.628 451 A CB -0.872 18.133 19.000 0.007 0.000 0.814 451 A HN 0.362 nan 8.150 nan 0.000 0.444 452 T N 0.132 114.460 114.554 -0.376 0.000 2.812 452 T HA 0.078 5.156 4.350 1.213 0.000 0.264 452 T C 2.260 176.613 174.700 -0.579 0.000 1.042 452 T CA 1.242 62.918 62.100 -0.705 0.000 1.140 452 T CB -0.435 67.829 68.868 -1.007 0.000 0.870 452 T HN 0.589 nan 8.240 nan 0.000 0.445 453 A N 1.470 123.907 122.820 -0.639 0.000 1.927 453 A HA -0.132 4.916 4.320 1.213 0.000 0.220 453 A C 2.223 179.696 177.584 -0.185 0.000 1.185 453 A CA 1.534 53.299 52.037 -0.454 0.000 0.639 453 A CB -0.942 17.790 19.000 -0.446 0.000 0.820 453 A HN 0.543 nan 8.150 nan 0.000 0.451 454 I N -1.330 119.184 120.570 -0.094 0.000 2.361 454 I HA -0.262 4.636 4.170 1.213 0.000 0.251 454 I C 2.293 178.473 176.117 0.104 0.000 1.133 454 I CA 1.415 62.724 61.300 0.016 0.000 1.413 454 I CB -0.454 37.549 38.000 0.006 0.000 1.073 454 I HN 0.383 nan 8.210 nan 0.000 0.424 455 H N 0.616 119.651 119.070 -0.059 0.000 2.352 455 H HA -0.110 5.174 4.556 1.214 0.000 0.299 455 H C 2.314 177.686 175.328 0.074 0.000 1.097 455 H CA 1.436 57.507 56.048 0.039 0.000 1.311 455 H CB -0.469 29.287 29.762 -0.009 0.000 1.377 455 H HN 0.330 nan 8.280 nan 0.000 0.504 456 A N -0.340 122.559 122.820 0.131 0.000 2.024 456 A HA -0.176 4.872 4.320 1.213 0.000 0.220 456 A C 2.241 179.831 177.584 0.011 0.000 1.164 456 A CA 2.045 54.127 52.037 0.075 0.000 0.643 456 A CB -0.674 18.335 19.000 0.015 0.000 0.806 456 A HN 0.432 nan 8.150 nan 0.000 0.451 457 T N -0.894 113.633 114.554 -0.047 0.000 3.081 457 T HA 0.059 5.137 4.350 1.213 0.000 0.255 457 T C 0.292 174.733 174.700 -0.432 0.000 1.113 457 T CA 0.408 62.368 62.100 -0.232 0.000 1.082 457 T CB -0.194 68.492 68.868 -0.303 0.000 0.939 457 T HN 0.586 nan 8.240 nan 0.000 0.506 458 H N 0.981 120.076 119.070 0.041 0.000 2.348 458 H HA 0.211 5.495 4.556 1.214 0.000 0.232 458 H C -1.940 173.484 175.328 0.161 0.000 1.419 458 H CA -1.720 54.392 56.048 0.107 0.000 1.416 458 H CB 1.240 31.035 29.762 0.056 0.000 1.510 458 H HN 0.196 nan 8.280 nan 0.000 0.507 459 P HA -0.113 nan 4.420 nan 0.000 0.218 459 P C 1.482 178.860 177.300 0.131 0.000 1.149 459 P CA 0.715 63.900 63.100 0.141 0.000 0.817 459 P CB 0.495 32.241 31.700 0.077 0.000 0.785 460 E N -1.248 119.015 120.200 0.105 0.000 2.333 460 E HA -0.159 4.919 4.350 1.213 0.000 0.198 460 E C 1.395 177.917 176.600 -0.131 0.000 1.007 460 E CA 0.755 57.139 56.400 -0.028 0.000 0.845 460 E CB -1.135 28.495 29.700 -0.115 0.000 0.766 460 E HN 0.537 nan 8.360 nan 0.000 0.507 461 Y N -0.702 119.684 120.300 0.142 0.000 2.466 461 Y HA 0.314 5.592 4.550 1.212 0.000 0.272 461 Y C 0.797 176.882 175.900 0.309 0.000 1.169 461 Y CA -0.097 58.111 58.100 0.180 0.000 1.285 461 Y CB 0.283 38.767 38.460 0.039 0.000 1.078 461 Y HN 0.093 nan 8.280 nan 0.000 0.523 462 L N 0.288 121.704 121.223 0.322 0.000 2.387 462 L HA 0.293 5.361 4.340 1.213 0.000 0.266 462 L C 0.144 177.119 176.870 0.176 0.000 1.059 462 L CA -1.317 53.680 54.840 0.261 0.000 0.801 462 L CB 0.669 42.826 42.059 0.163 0.000 1.223 462 L HN 0.134 nan 8.230 nan 0.000 0.456 463 N N -0.146 118.626 118.700 0.119 0.000 2.354 463 N HA 0.003 5.471 4.740 1.213 0.000 0.246 463 N C 0.336 175.873 175.510 0.045 0.000 1.285 463 N CA -0.305 52.794 53.050 0.081 0.000 0.925 463 N CB 0.167 38.690 38.487 0.059 0.000 1.174 463 N HN 0.449 nan 8.380 nan 0.000 0.478 464 N N -0.043 118.677 118.700 0.034 0.000 2.091 464 N HA -0.175 5.293 4.740 1.213 0.000 0.193 464 N C 0.489 176.005 175.510 0.010 0.000 1.021 464 N CA 1.628 54.691 53.050 0.020 0.000 0.862 464 N CB -0.280 38.216 38.487 0.014 0.000 1.018 464 N HN 0.590 nan 8.380 nan 0.000 0.429 465 D N -0.057 120.344 120.400 0.001 0.000 2.123 465 D HA -0.062 5.306 4.640 1.213 0.000 0.200 465 D C 2.011 178.298 176.300 -0.021 0.000 0.976 465 D CA 0.385 54.379 54.000 -0.011 0.000 0.831 465 D CB -0.203 40.587 40.800 -0.017 0.000 0.974 465 D HN 0.219 nan 8.370 nan 0.000 0.469 466 L N 0.493 121.702 121.223 -0.025 0.000 2.072 466 L HA -0.085 4.983 4.340 1.213 0.000 0.205 466 L C 2.593 179.460 176.870 -0.005 0.000 1.079 466 L CA 0.742 55.559 54.840 -0.039 0.000 0.752 466 L CB -0.112 41.916 42.059 -0.052 0.000 0.906 466 L HN -0.036 nan 8.230 nan 0.000 0.436 467 R N 0.552 121.065 120.500 0.022 0.000 2.136 467 R HA -0.303 4.765 4.340 1.213 0.000 0.242 467 R C 2.506 178.816 176.300 0.018 0.000 1.131 467 R CA 3.195 59.316 56.100 0.035 0.000 0.937 467 R CB -0.342 29.980 30.300 0.037 0.000 0.863 467 R HN 0.289 nan 8.270 nan 0.000 0.435 468 K N 0.335 120.739 120.400 0.007 0.000 2.147 468 K HA -0.089 4.959 4.320 1.213 0.000 0.205 468 K C 2.026 178.622 176.600 -0.006 0.000 1.049 468 K CA 1.492 57.779 56.287 0.001 0.000 0.936 468 K CB -0.652 31.847 32.500 -0.002 0.000 0.722 468 K HN 0.089 nan 8.250 nan 0.000 0.446 469 L N 0.463 121.675 121.223 -0.019 0.000 2.027 469 L HA 0.115 5.182 4.340 1.213 0.000 0.206 469 L C 1.842 178.697 176.870 -0.026 0.000 1.074 469 L CA 1.186 56.004 54.840 -0.036 0.000 0.745 469 L CB -0.952 41.063 42.059 -0.073 0.000 0.898 469 L HN 0.690 nan 8.230 nan 0.000 0.433 478 F N 0.620 120.704 119.950 0.224 0.000 2.408 478 F HA 0.122 5.376 4.527 1.213 0.000 0.300 478 F C 1.634 177.708 175.800 0.455 0.000 1.090 478 F CA 0.626 58.800 58.000 0.289 0.000 1.427 478 F CB -0.546 38.487 39.000 0.054 0.000 1.070 478 F HN -0.037 nan 8.300 nan 0.000 0.549 479 L N -0.672 120.825 121.223 0.456 0.000 2.688 479 L HA 0.135 5.203 4.340 1.213 0.000 0.234 479 L C 1.030 178.057 176.870 0.261 0.000 1.192 479 L CA -0.178 54.886 54.840 0.374 0.000 0.984 479 L CB -0.568 41.635 42.059 0.241 0.000 1.232 479 L HN -0.032 nan 8.230 nan 0.000 0.465 480 S N 0.399 116.260 115.700 0.268 0.000 2.562 480 S HA 0.130 5.328 4.470 1.213 0.000 0.281 480 S C 1.526 176.122 174.600 -0.007 0.000 1.333 480 S CA 0.614 58.837 58.200 0.039 0.000 1.052 480 S CB 1.368 64.466 63.200 -0.171 0.000 0.884 480 S HN 0.494 nan 8.310 nan 0.000 0.506 481 E N 2.611 122.779 120.200 -0.052 0.000 2.209 481 E HA -0.192 4.886 4.350 1.213 0.000 0.196 481 E C 2.413 178.938 176.600 -0.124 0.000 0.993 481 E CA 1.857 58.219 56.400 -0.063 0.000 0.819 481 E CB -1.840 27.826 29.700 -0.055 0.000 0.745 481 E HN 1.052 nan 8.360 nan 0.000 0.477 482 C N -0.146 119.011 119.300 -0.237 0.000 2.398 482 C HA 0.068 5.256 4.460 1.213 0.000 0.276 482 C C 1.467 176.302 174.990 -0.258 0.000 1.222 482 C CA -0.342 58.488 59.018 -0.312 0.000 1.746 482 C CB -1.463 25.986 27.740 -0.484 0.000 2.039 482 C HN 0.416 nan 8.230 nan 0.000 0.470 483 F N 2.633 122.545 119.950 -0.063 0.000 2.538 483 F HA 0.489 5.744 4.527 1.214 0.000 0.371 483 F C 0.792 176.448 175.800 -0.241 0.000 1.087 483 F CA 0.741 58.667 58.000 -0.123 0.000 1.250 483 F CB -0.001 38.937 39.000 -0.103 0.000 1.110 483 F HN 0.513 nan 8.300 nan 0.000 0.570 484 K N 4.824 125.208 120.400 -0.027 0.000 2.559 484 K HA 0.623 5.671 4.320 1.213 0.000 0.249 484 K C -3.179 173.313 176.600 -0.179 0.000 0.958 484 K CA -1.962 54.241 56.287 -0.140 0.000 0.901 484 K CB 0.764 33.216 32.500 -0.080 0.000 1.124 484 K HN 0.326 nan 8.250 nan 0.000 0.437 485 P HA 0.522 nan 4.420 nan 0.000 0.276 485 P C -0.578 176.651 177.300 -0.118 0.000 1.252 485 P CA -0.691 62.256 63.100 -0.255 0.000 0.802 485 P CB 1.587 33.008 31.700 -0.465 0.000 1.035 486 V N 0.645 120.532 119.914 -0.045 0.000 2.697 486 V HA 0.558 5.406 4.120 1.213 0.000 0.300 486 V C -1.924 174.181 176.094 0.019 0.000 1.115 486 V CA -0.386 61.905 62.300 -0.015 0.000 0.912 486 V CB 1.845 33.661 31.823 -0.012 0.000 1.024 486 V HN 0.458 nan 8.190 nan 0.000 0.431 490 E N 1.788 121.895 120.200 -0.155 0.000 2.118 490 E HA -0.079 4.999 4.350 1.213 0.000 0.195 490 E C 2.024 178.522 176.600 -0.171 0.000 0.992 490 E CA 1.254 57.537 56.400 -0.195 0.000 0.804 490 E CB -0.184 29.490 29.700 -0.042 0.000 0.741 490 E HN 0.517 nan 8.360 nan 0.000 0.458 491 A N 1.644 124.403 122.820 -0.102 0.000 1.898 491 A HA -0.163 4.885 4.320 1.213 0.000 0.216 491 A C 2.561 180.096 177.584 -0.081 0.000 1.181 491 A CA 2.522 54.516 52.037 -0.071 0.000 0.620 491 A CB -0.887 18.089 19.000 -0.040 0.000 0.819 491 A HN 0.305 nan 8.150 nan 0.000 0.442 492 R N -0.643 119.799 120.500 -0.097 0.000 2.113 492 R HA -0.230 4.838 4.340 1.213 0.000 0.244 492 R C 2.068 178.302 176.300 -0.110 0.000 1.142 492 R CA 2.150 58.200 56.100 -0.083 0.000 0.953 492 R CB -1.499 28.760 30.300 -0.068 0.000 0.860 492 R HN 0.685 nan 8.270 nan 0.000 0.438 493 Q N -0.251 119.431 119.800 -0.196 0.000 2.170 493 Q HA -0.127 4.941 4.340 1.213 0.000 0.203 493 Q C 2.686 178.632 176.000 -0.091 0.000 0.976 493 Q CA 2.414 58.120 55.803 -0.163 0.000 0.858 493 Q CB -0.434 28.170 28.738 -0.223 0.000 0.907 493 Q HN 0.792 nan 8.270 nan 0.000 0.433 494 K N 0.787 121.142 120.400 -0.075 0.000 2.148 494 K HA 0.054 5.102 4.320 1.213 0.000 0.204 494 K C 1.552 178.153 176.600 0.001 0.000 1.050 494 K CA 1.239 57.505 56.287 -0.036 0.000 0.942 494 K CB -1.544 30.935 32.500 -0.035 0.000 0.724 494 K HN 0.327 nan 8.250 nan 0.000 0.446 501 P HA 0.427 nan 4.420 nan 0.000 0.260 501 P C 0.035 177.274 177.300 -0.103 0.000 1.172 501 P CA 0.601 63.632 63.100 -0.115 0.000 0.760 501 P CB -0.074 31.577 31.700 -0.083 0.000 0.773 502 C N 0.373 119.600 119.300 -0.122 0.000 3.253 502 C HA 0.682 5.870 4.460 1.213 0.000 0.362 502 C C -1.018 173.918 174.990 -0.089 0.000 1.487 502 C CA -0.748 58.216 59.018 -0.091 0.000 1.179 502 C CB 0.655 28.350 27.740 -0.074 0.000 1.660 502 C HN 0.341 nan 8.230 nan 0.000 0.438 503 V N 1.286 121.167 119.914 -0.055 0.000 2.680 503 V HA 0.639 5.487 4.120 1.213 0.000 0.309 503 V C -0.543 175.545 176.094 -0.010 0.000 1.052 503 V CA -0.333 61.944 62.300 -0.039 0.000 0.908 503 V CB 1.747 33.557 31.823 -0.021 0.000 1.001 503 V HN 0.756 nan 8.190 nan 0.000 0.431 504 I N 5.295 125.861 120.570 -0.006 0.000 2.448 504 I HA 0.331 5.229 4.170 1.213 0.000 0.281 504 I C -1.203 174.921 176.117 0.012 0.000 1.027 504 I CA -0.666 60.647 61.300 0.023 0.000 1.111 504 I CB 1.673 39.708 38.000 0.058 0.000 1.236 504 I HN 0.286 nan 8.210 nan 0.000 0.452 505 L N 5.990 127.224 121.223 0.019 0.000 2.290 505 L HA 0.708 5.776 4.340 1.213 0.000 0.284 505 L C 0.325 177.200 176.870 0.008 0.000 1.078 505 L CA 0.076 54.919 54.840 0.004 0.000 0.815 505 L CB 0.926 42.993 42.059 0.012 0.000 1.162 505 L HN 0.734 nan 8.230 nan 0.000 0.435 506 A N 2.354 125.167 122.820 -0.012 0.000 2.606 506 A HA 0.767 5.815 4.320 1.213 0.000 0.293 506 A C -0.517 177.041 177.584 -0.043 0.000 1.082 506 A CA -0.505 51.528 52.037 -0.007 0.000 0.685 506 A CB 1.407 20.415 19.000 0.013 0.000 1.284 506 A HN 0.461 nan 8.150 nan 0.000 0.408 507 T N 1.591 116.128 114.554 -0.029 0.000 2.907 507 T HA 0.632 5.709 4.350 1.213 0.000 0.284 507 T C 0.467 175.133 174.700 -0.056 0.000 1.004 507 T CA 0.226 62.293 62.100 -0.054 0.000 1.063 507 T CB 0.728 69.601 68.868 0.008 0.000 0.992 507 T HN 1.123 nan 8.240 nan 0.000 0.483 508 S N 1.496 117.139 115.700 -0.095 0.000 2.651 508 S HA 0.533 5.731 4.470 1.213 0.000 0.291 508 S C 1.599 175.956 174.600 -0.406 0.000 1.141 508 S CA -0.510 57.575 58.200 -0.192 0.000 1.027 508 S CB 1.376 64.530 63.200 -0.077 0.000 1.043 508 S HN 0.797 nan 8.310 nan 0.000 0.530 509 G N -0.011 108.205 108.800 -0.974 0.000 2.535 509 G HA2 -0.044 4.644 3.960 1.213 0.000 0.218 509 G HA3 -0.044 4.644 3.960 1.213 0.000 0.218 509 G C 0.717 175.262 174.900 -0.591 0.000 1.122 509 G CA 0.415 44.817 45.100 -1.162 0.000 0.769 509 G HN 0.677 nan 8.290 nan 0.000 0.549 510 M N -0.767 118.604 119.600 -0.382 0.000 2.502 510 M HA 0.393 5.601 4.480 1.213 0.000 0.351 510 M C 0.593 176.840 176.300 -0.089 0.000 1.118 510 M CA -0.149 55.070 55.300 -0.136 0.000 0.952 510 M CB 0.447 33.002 32.600 -0.075 0.000 1.424 510 M HN 0.075 nan 8.290 nan 0.000 0.529 511 M N 1.077 120.606 119.600 -0.118 0.000 2.653 511 M HA -0.255 4.953 4.480 1.213 0.000 0.203 511 M C 0.507 176.743 176.300 -0.106 0.000 0.502 511 M CA 0.574 55.802 55.300 -0.121 0.000 0.601 511 M CB -1.898 30.619 32.600 -0.138 0.000 2.228 511 M HN 0.522 nan 8.290 nan 0.000 0.711 512 N N 0.188 118.846 118.700 -0.069 0.000 2.467 512 N HA 0.313 5.781 4.740 1.213 0.000 0.184 512 N C 0.698 176.191 175.510 -0.028 0.000 1.106 512 N CA 1.321 54.346 53.050 -0.042 0.000 0.892 512 N CB 0.503 38.984 38.487 -0.010 0.000 0.969 512 N HN 0.649 nan 8.380 nan 0.000 0.454 513 G N -2.580 106.201 108.800 -0.031 0.000 2.325 513 G HA2 0.534 5.222 3.960 1.213 0.000 0.295 513 G HA3 0.534 5.222 3.960 1.213 0.000 0.295 513 G C -0.467 174.426 174.900 -0.012 0.000 1.274 513 G CA 0.190 45.280 45.100 -0.017 0.000 0.857 513 G HN 0.791 nan 8.290 nan 0.000 0.499 514 G N -0.944 107.858 108.800 0.003 0.000 2.685 514 G HA2 0.224 4.912 3.960 1.213 0.000 0.387 514 G HA3 0.224 4.912 3.960 1.213 0.000 0.387 514 G C -1.215 173.692 174.900 0.012 0.000 1.324 514 G CA 0.526 45.633 45.100 0.012 0.000 0.878 514 G HN 1.004 nan 8.290 nan 0.000 0.527 515 P HA -0.044 nan 4.420 nan 0.000 0.222 515 P C 1.956 179.273 177.300 0.029 0.000 1.147 515 P CA 1.544 64.660 63.100 0.027 0.000 0.790 515 P CB 0.015 31.734 31.700 0.032 0.000 0.780 516 V N -0.532 119.392 119.914 0.017 0.000 2.594 516 V HA -0.199 4.649 4.120 1.213 0.000 0.253 516 V C 2.242 178.374 176.094 0.063 0.000 1.069 516 V CA 1.600 63.917 62.300 0.028 0.000 1.082 516 V CB -0.971 30.840 31.823 -0.019 0.000 0.680 516 V HN -0.030 nan 8.190 nan 0.000 0.469 517 M N -0.923 118.699 119.600 0.037 0.000 2.254 517 M HA -0.083 5.125 4.480 1.213 0.000 0.265 517 M C 1.977 178.348 176.300 0.118 0.000 1.066 517 M CA 1.432 56.779 55.300 0.079 0.000 1.123 517 M CB -1.098 31.515 32.600 0.022 0.000 1.388 517 M HN 0.440 nan 8.290 nan 0.000 0.425 518 E N -0.519 119.714 120.200 0.054 0.000 2.028 518 E HA -0.211 4.867 4.350 1.213 0.000 0.191 518 E C 2.368 178.938 176.600 -0.050 0.000 0.988 518 E CA 1.806 58.209 56.400 0.005 0.000 0.799 518 E CB -0.370 29.327 29.700 -0.005 0.000 0.755 518 E HN 0.621 nan 8.360 nan 0.000 0.447 519 Y N 0.250 120.542 120.300 -0.013 0.000 2.207 519 Y HA -0.241 5.037 4.550 1.213 0.000 0.287 519 Y C 2.022 177.922 175.900 -0.000 0.000 1.156 519 Y CA 1.869 59.946 58.100 -0.038 0.000 1.182 519 Y CB -1.067 37.482 38.460 0.147 0.000 0.979 519 Y HN 0.189 nan 8.280 nan 0.000 0.521 520 F N 1.666 121.595 119.950 -0.035 0.000 2.163 520 F HA 0.035 5.290 4.527 1.214 0.000 0.297 520 F C 2.518 178.295 175.800 -0.039 0.000 1.094 520 F CA 2.521 60.522 58.000 0.001 0.000 1.290 520 F CB -0.738 38.266 39.000 0.006 0.000 1.017 520 F HN 0.219 nan 8.300 nan 0.000 0.483 521 K N 0.656 121.069 120.400 0.021 0.000 2.218 521 K HA 0.024 5.072 4.320 1.213 0.000 0.205 521 K C 1.981 178.444 176.600 -0.228 0.000 1.046 521 K CA 1.662 57.890 56.287 -0.097 0.000 0.933 521 K CB -1.674 30.826 32.500 -0.001 0.000 0.728 521 K HN 0.586 nan 8.250 nan 0.000 0.454 522 A N -1.306 121.326 122.820 -0.313 0.000 2.035 522 A HA 0.470 5.517 4.320 1.213 0.000 0.208 522 A C 1.656 179.039 177.584 -0.335 0.000 1.206 522 A CA 0.595 52.391 52.037 -0.401 0.000 0.773 522 A CB 0.219 18.848 19.000 -0.618 0.000 0.878 522 A HN 0.392 nan 8.150 nan 0.000 0.469 523 F N -0.479 119.388 119.950 -0.138 0.000 2.695 523 F HA 0.388 5.643 4.527 1.213 0.000 0.303 523 F C 2.243 177.937 175.800 -0.176 0.000 1.091 523 F CA -0.325 57.602 58.000 -0.122 0.000 1.300 523 F CB -0.278 38.679 39.000 -0.072 0.000 1.071 523 F HN 0.228 nan 8.300 nan 0.000 0.578 524 A N 0.481 123.192 122.820 -0.181 0.000 2.066 524 A HA -0.006 5.041 4.320 1.213 0.000 0.218 524 A C 2.166 179.667 177.584 -0.138 0.000 1.157 524 A CA 1.707 53.570 52.037 -0.290 0.000 0.670 524 A CB -0.855 17.668 19.000 -0.794 0.000 0.804 524 A HN 0.358 nan 8.150 nan 0.000 0.453 525 E N -0.121 120.022 120.200 -0.095 0.000 2.107 525 E HA 0.106 5.183 4.350 1.213 0.000 0.191 525 E C 0.927 177.518 176.600 -0.016 0.000 0.982 525 E CA 1.023 57.393 56.400 -0.050 0.000 0.809 525 E CB -1.406 28.268 29.700 -0.043 0.000 0.756 525 E HN 0.829 nan 8.360 nan 0.000 0.459 526 D N 1.678 122.080 120.400 0.003 0.000 2.343 526 D HA 0.309 5.677 4.640 1.213 0.000 0.255 526 D C -1.328 174.970 176.300 -0.003 0.000 1.187 526 D CA -0.796 53.206 54.000 0.004 0.000 0.875 526 D CB 0.494 41.301 40.800 0.012 0.000 1.136 526 D HN 0.183 nan 8.370 nan 0.000 0.469 527 P HA -0.128 nan 4.420 nan 0.000 0.226 527 P C 1.903 179.199 177.300 -0.006 0.000 1.153 527 P CA 1.173 64.273 63.100 0.000 0.000 0.777 527 P CB 0.136 31.839 31.700 0.004 0.000 0.794 528 R N 0.164 120.655 120.500 -0.015 0.000 2.127 528 R HA -0.114 4.954 4.340 1.213 0.000 0.238 528 R C 1.315 177.592 176.300 -0.038 0.000 1.134 528 R CA 1.238 57.323 56.100 -0.026 0.000 0.975 528 R CB -1.715 28.565 30.300 -0.034 0.000 0.865 528 R HN 0.354 nan 8.270 nan 0.000 0.447 529 N N 0.266 118.939 118.700 -0.044 0.000 2.515 529 N HA 0.254 5.722 4.740 1.213 0.000 0.279 529 N C -0.876 174.612 175.510 -0.037 0.000 1.164 529 N CA 0.120 53.131 53.050 -0.065 0.000 0.982 529 N CB 1.603 40.043 38.487 -0.079 0.000 1.170 529 N HN 0.355 nan 8.380 nan 0.000 0.474 530 T N 1.044 115.568 114.554 -0.049 0.000 2.856 530 T HA 0.455 5.533 4.350 1.213 0.000 0.283 530 T C -0.494 174.174 174.700 -0.054 0.000 1.008 530 T CA -0.518 61.561 62.100 -0.036 0.000 0.997 530 T CB 1.516 70.364 68.868 -0.035 0.000 0.992 530 T HN 0.207 nan 8.240 nan 0.000 0.454 531 L N 3.790 124.970 121.223 -0.071 0.000 2.319 531 L HA 0.631 5.699 4.340 1.213 0.000 0.281 531 L C -1.110 175.590 176.870 -0.282 0.000 1.005 531 L CA -0.526 54.211 54.840 -0.171 0.000 0.828 531 L CB 1.091 43.056 42.059 -0.158 0.000 1.227 531 L HN 0.459 nan 8.230 nan 0.000 0.415 532 V N 5.777 125.518 119.914 -0.287 0.000 2.328 532 V HA 0.363 5.211 4.120 1.213 0.000 0.278 532 V C -0.323 175.614 176.094 -0.261 0.000 1.021 532 V CA -0.383 61.789 62.300 -0.213 0.000 0.838 532 V CB 0.595 32.343 31.823 -0.126 0.000 0.999 532 V HN 0.462 nan 8.190 nan 0.000 0.447 533 F N 4.318 124.283 119.950 0.025 0.000 2.424 533 F HA 0.345 5.600 4.527 1.213 0.000 0.356 533 F C 1.043 176.895 175.800 0.087 0.000 1.110 533 F CA -0.501 57.524 58.000 0.043 0.000 1.161 533 F CB 1.629 40.665 39.000 0.059 0.000 1.115 533 F HN 0.413 nan 8.300 nan 0.000 0.507 534 V N 0.598 120.683 119.914 0.285 0.000 3.578 534 V HA 0.668 5.516 4.120 1.213 0.000 0.290 534 V C 0.621 176.980 176.094 0.442 0.000 1.376 534 V CA 0.538 63.030 62.300 0.319 0.000 1.083 534 V CB -0.111 31.776 31.823 0.106 0.000 0.911 534 V HN 0.729 nan 8.190 nan 0.000 0.433 535 G N -0.318 108.709 108.800 0.379 0.000 2.649 535 G HA2 0.503 5.191 3.960 1.213 0.000 0.290 535 G HA3 0.503 5.191 3.960 1.213 0.000 0.290 535 G C -1.042 174.053 174.900 0.325 0.000 1.426 535 G CA -0.492 44.864 45.100 0.427 0.000 0.794 535 G HN 0.503 nan 8.290 nan 0.000 0.483 536 Y N -0.014 120.461 120.300 0.292 0.000 2.652 536 Y HA 0.516 5.794 4.550 1.213 0.000 0.344 536 Y C 0.011 175.943 175.900 0.053 0.000 1.254 536 Y CA -0.559 57.588 58.100 0.078 0.000 1.480 536 Y CB 0.578 38.960 38.460 -0.130 0.000 1.345 536 Y HN 0.305 nan 8.280 nan 0.000 0.617 537 Q N 2.884 122.613 119.800 -0.119 0.000 2.331 537 Q HA 0.618 5.686 4.340 1.213 0.000 0.267 537 Q C -0.500 175.479 176.000 -0.036 0.000 1.006 537 Q CA -0.688 54.993 55.803 -0.203 0.000 0.818 537 Q CB 1.995 30.561 28.738 -0.286 0.000 1.276 537 Q HN 0.976 nan 8.270 nan 0.000 0.450 538 A N 2.556 125.364 122.820 -0.021 0.000 2.366 538 A HA 0.214 5.262 4.320 1.213 0.000 0.249 538 A C -0.133 177.450 177.584 -0.001 0.000 1.084 538 A CA -0.428 51.656 52.037 0.078 0.000 0.794 538 A CB 0.195 19.252 19.000 0.095 0.000 1.034 538 A HN 0.624 nan 8.150 nan 0.000 0.491 539 D N 0.312 120.709 120.400 -0.005 0.000 2.629 539 D HA 0.288 5.656 4.640 1.213 0.000 0.228 539 D C 1.400 177.677 176.300 -0.039 0.000 1.127 539 D CA 2.295 56.278 54.000 -0.028 0.000 0.855 539 D CB 0.242 41.026 40.800 -0.027 0.000 1.180 539 D HN 1.204 nan 8.370 nan 0.000 0.484 540 G N 1.480 110.245 108.800 -0.058 0.000 2.179 540 G HA2 -0.276 4.412 3.960 1.213 0.000 0.260 540 G HA3 -0.276 4.412 3.960 1.213 0.000 0.260 540 G C 0.566 175.422 174.900 -0.073 0.000 0.977 540 G CA 0.736 45.794 45.100 -0.069 0.000 0.641 540 G HN 0.824 nan 8.290 nan 0.000 0.533 541 T N -1.017 113.494 114.554 -0.071 0.000 2.899 541 T HA 0.682 5.760 4.350 1.213 0.000 0.284 541 T C 1.727 176.372 174.700 -0.091 0.000 1.004 541 T CA -0.393 61.663 62.100 -0.073 0.000 1.043 541 T CB 1.492 70.320 68.868 -0.067 0.000 1.013 541 T HN 0.005 nan 8.240 nan 0.000 0.518 542 I N 1.894 122.410 120.570 -0.091 0.000 2.163 542 I HA -0.075 4.822 4.170 1.213 0.000 0.243 542 I C 2.816 178.891 176.117 -0.071 0.000 1.085 542 I CA 1.949 63.188 61.300 -0.100 0.000 1.347 542 I CB -1.999 35.922 38.000 -0.133 0.000 1.044 542 I HN 0.983 nan 8.210 nan 0.000 0.408 543 G N 0.498 109.265 108.800 -0.054 0.000 2.469 543 G HA2 -0.335 4.353 3.960 1.213 0.000 0.220 543 G HA3 -0.335 4.353 3.960 1.213 0.000 0.220 543 G C 1.861 176.635 174.900 -0.210 0.000 1.136 543 G CA 1.086 46.180 45.100 -0.010 0.000 0.759 543 G HN 0.246 nan 8.290 nan 0.000 0.562 544 R N 0.792 121.188 120.500 -0.174 0.000 2.066 544 R HA 0.029 5.097 4.340 1.213 0.000 0.232 544 R C 2.502 178.764 176.300 -0.063 0.000 1.131 544 R CA 1.735 57.740 56.100 -0.159 0.000 0.955 544 R CB -0.782 29.457 30.300 -0.102 0.000 0.851 544 R HN 0.361 nan 8.270 nan 0.000 0.432 545 R N 0.107 120.577 120.500 -0.049 0.000 2.094 545 R HA -0.107 4.961 4.340 1.213 0.000 0.239 545 R C 2.218 178.631 176.300 0.189 0.000 1.137 545 R CA 2.279 58.379 56.100 0.000 0.000 0.943 545 R CB -0.552 29.649 30.300 -0.164 0.000 0.850 545 R HN 0.355 nan 8.270 nan 0.000 0.433 546 I N 0.629 121.287 120.570 0.146 0.000 2.127 546 I HA -0.337 4.561 4.170 1.213 0.000 0.241 546 I C 2.777 179.039 176.117 0.240 0.000 1.075 546 I CA 1.850 63.300 61.300 0.249 0.000 1.334 546 I CB -0.481 37.702 38.000 0.304 0.000 1.040 546 I HN 0.459 nan 8.210 nan 0.000 0.405 547 Q N 1.503 121.345 119.800 0.071 0.000 2.297 547 Q HA -0.220 4.848 4.340 1.213 0.000 0.208 547 Q C 1.739 177.772 176.000 0.056 0.000 0.981 547 Q CA 1.470 57.243 55.803 -0.050 0.000 0.876 547 Q CB 0.046 28.464 28.738 -0.532 0.000 0.921 547 Q HN 0.427 nan 8.270 nan 0.000 0.446 548 K N -0.885 119.591 120.400 0.125 0.000 2.525 548 K HA 0.057 5.105 4.320 1.213 0.000 0.192 548 K C 0.662 177.335 176.600 0.122 0.000 1.029 548 K CA 0.491 56.877 56.287 0.165 0.000 1.029 548 K CB 0.286 32.981 32.500 0.325 0.000 0.814 548 K HN 0.449 nan 8.250 nan 0.000 0.503 549 G N 1.062 109.952 108.800 0.150 0.000 2.137 549 G HA2 -0.203 4.485 3.960 1.213 0.000 0.237 549 G HA3 -0.203 4.485 3.960 1.213 0.000 0.237 549 G C -0.373 174.542 174.900 0.025 0.000 1.002 549 G CA -0.534 44.611 45.100 0.075 0.000 0.702 549 G HN 0.253 nan 8.290 nan 0.000 0.515 550 W N 0.090 121.426 121.300 0.059 0.000 2.251 550 W HA 0.479 5.867 4.660 1.213 0.000 0.327 550 W C 1.048 177.614 176.519 0.080 0.000 1.361 550 W CA 0.824 58.204 57.345 0.059 0.000 1.234 550 W CB 0.802 30.291 29.460 0.048 0.000 1.212 550 W HN 0.418 nan 8.180 nan 0.000 0.557 551 K N 1.894 122.444 120.400 0.250 0.000 2.358 551 K HA 0.308 5.356 4.320 1.213 0.000 0.200 551 K C 0.589 177.309 176.600 0.199 0.000 1.030 551 K CA 1.077 57.474 56.287 0.183 0.000 1.097 551 K CB -0.074 32.483 32.500 0.095 0.000 0.862 551 K HN 0.563 nan 8.250 nan 0.000 0.534 565 L N 1.567 122.846 121.223 0.093 0.000 2.275 565 L HA 0.949 6.017 4.340 1.213 0.000 0.288 565 L C 0.223 177.134 176.870 0.069 0.000 1.046 565 L CA -1.285 53.596 54.840 0.069 0.000 0.805 565 L CB 0.313 42.422 42.059 0.084 0.000 1.193 565 L HN 1.078 nan 8.230 nan 0.000 0.426 566 K N 3.514 123.933 120.400 0.032 0.000 2.383 566 K HA 0.656 5.704 4.320 1.213 0.000 0.286 566 K C 0.541 177.155 176.600 0.023 0.000 1.051 566 K CA 1.030 57.339 56.287 0.037 0.000 0.974 566 K CB 1.078 33.590 32.500 0.021 0.000 0.968 566 K HN 0.954 nan 8.250 nan 0.000 0.475 567 M N 1.398 121.035 119.600 0.062 0.000 3.170 567 M HA 0.273 5.481 4.480 1.213 0.000 0.263 567 M C 0.450 176.788 176.300 0.063 0.000 1.153 567 M CA -0.200 55.145 55.300 0.074 0.000 0.949 567 M CB -0.938 31.765 32.600 0.171 0.000 1.291 567 M HN 0.624 nan 8.290 nan 0.000 0.550 568 N N 1.088 119.807 118.700 0.031 0.000 2.739 568 N HA 0.698 6.165 4.740 1.213 0.000 0.266 568 N C -0.295 175.228 175.510 0.021 0.000 1.168 568 N CA 0.651 53.718 53.050 0.028 0.000 1.055 568 N CB -0.239 38.259 38.487 0.017 0.000 1.393 568 N HN 1.863 nan 8.380 nan 0.000 0.514 569 M N -0.187 119.436 119.600 0.038 0.000 2.284 569 M HA 0.598 5.806 4.480 1.213 0.000 0.281 569 M C -0.284 176.045 176.300 0.049 0.000 1.083 569 M CA -0.890 54.430 55.300 0.033 0.000 0.965 569 M CB 0.423 33.039 32.600 0.027 0.000 1.717 569 M HN 0.679 nan 8.290 nan 0.000 0.479 570 E N 1.468 121.688 120.200 0.033 0.000 2.502 570 E HA 0.422 5.500 4.350 1.213 0.000 0.261 570 E C -1.102 175.526 176.600 0.046 0.000 0.974 570 E CA 0.194 56.618 56.400 0.040 0.000 0.936 570 E CB 0.538 30.253 29.700 0.026 0.000 0.926 570 E HN 0.728 nan 8.360 nan 0.000 0.459 571 V N 5.666 125.624 119.914 0.074 0.000 2.444 571 V HA 0.244 5.091 4.120 1.213 0.000 0.294 571 V C -0.334 175.828 176.094 0.113 0.000 1.022 571 V CA -0.724 61.635 62.300 0.098 0.000 0.850 571 V CB 1.542 33.474 31.823 0.181 0.000 0.992 571 V HN 0.664 nan 8.190 nan 0.000 0.426 572 Q N 2.999 122.852 119.800 0.089 0.000 2.377 572 Q HA 0.647 5.715 4.340 1.213 0.000 0.271 572 Q C -1.325 174.768 176.000 0.155 0.000 1.077 572 Q CA -0.703 55.166 55.803 0.109 0.000 0.820 572 Q CB 3.264 32.038 28.738 0.061 0.000 1.347 572 Q HN 0.512 nan 8.270 nan 0.000 0.444 573 V N 2.167 122.187 119.914 0.177 0.000 2.357 573 V HA 0.320 5.168 4.120 1.213 0.000 0.284 573 V C -0.304 175.860 176.094 0.118 0.000 1.018 573 V CA -0.556 61.877 62.300 0.223 0.000 0.841 573 V CB 1.691 33.649 31.823 0.225 0.000 0.991 573 V HN 0.513 nan 8.190 nan 0.000 0.437 574 V N 3.638 123.624 119.914 0.120 0.000 2.266 574 V HA 0.285 5.133 4.120 1.213 0.000 0.266 574 V C -0.040 176.222 176.094 0.280 0.000 1.036 574 V CA -0.416 61.932 62.300 0.081 0.000 0.828 574 V CB 1.199 33.021 31.823 -0.001 0.000 1.081 574 V HN 0.844 nan 8.190 nan 0.000 0.449 575 D N 3.363 123.913 120.400 0.249 0.000 2.619 575 D HA 0.320 5.687 4.640 1.213 0.000 0.224 575 D C 1.076 177.485 176.300 0.181 0.000 1.133 575 D CA 0.414 54.589 54.000 0.291 0.000 1.017 575 D CB 0.717 41.701 40.800 0.307 0.000 1.077 575 D HN 0.579 nan 8.370 nan 0.000 0.503 576 G N 0.597 109.461 108.800 0.106 0.000 3.651 576 G HA2 0.077 4.765 3.960 1.213 0.000 0.267 576 G HA3 0.077 4.765 3.960 1.213 0.000 0.267 576 G C 0.236 174.734 174.900 -0.669 0.000 1.009 576 G CA -0.295 44.579 45.100 -0.376 0.000 0.866 576 G HN 0.285 nan 8.290 nan 0.000 0.488 577 F N 0.987 121.035 119.950 0.163 0.000 2.815 577 F HA 0.183 5.438 4.527 1.213 0.000 0.323 577 F C 2.016 177.954 175.800 0.230 0.000 1.151 577 F CA -0.077 58.026 58.000 0.171 0.000 1.191 577 F CB 0.570 39.663 39.000 0.155 0.000 1.069 577 F HN 0.100 nan 8.300 nan 0.000 0.514 578 S N -0.309 115.630 115.700 0.399 0.000 2.423 578 S HA 0.135 5.333 4.470 1.213 0.000 0.231 578 S C 2.060 176.915 174.600 0.425 0.000 1.014 578 S CA 0.959 59.474 58.200 0.524 0.000 0.965 578 S CB -0.438 63.204 63.200 0.737 0.000 0.785 578 S HN 0.721 nan 8.310 nan 0.000 0.495 579 G N 0.889 109.846 108.800 0.261 0.000 2.148 579 G HA2 -0.210 4.478 3.960 1.213 0.000 0.254 579 G HA3 -0.210 4.478 3.960 1.213 0.000 0.254 579 G C -0.040 174.937 174.900 0.129 0.000 0.981 579 G CA 0.380 45.574 45.100 0.156 0.000 0.670 579 G HN 0.694 nan 8.290 nan 0.000 0.528 580 H N 0.276 119.460 119.070 0.191 0.000 2.499 580 H HA 0.515 5.799 4.556 1.212 0.000 0.340 580 H C 0.255 175.476 175.328 -0.178 0.000 1.148 580 H CA -0.151 55.895 56.048 -0.002 0.000 1.215 580 H CB 1.609 31.425 29.762 0.091 0.000 1.529 580 H HN 0.157 nan 8.280 nan 0.000 0.510 581 S N 2.468 118.088 115.700 -0.132 0.000 2.546 581 S HA -0.045 5.153 4.470 1.213 0.000 0.290 581 S C 0.572 175.077 174.600 -0.159 0.000 1.290 581 S CA -0.412 57.707 58.200 -0.136 0.000 1.069 581 S CB 0.121 63.198 63.200 -0.204 0.000 0.846 581 S HN 0.596 nan 8.310 nan 0.000 0.495 582 D N 2.136 122.449 120.400 -0.146 0.000 2.414 582 D HA 0.090 5.458 4.640 1.213 0.000 0.259 582 D C 1.231 177.536 176.300 0.008 0.000 1.269 582 D CA -0.652 53.269 54.000 -0.132 0.000 1.028 582 D CB 0.348 41.104 40.800 -0.074 0.000 1.093 582 D HN 0.354 nan 8.370 nan 0.000 0.545 583 R N 0.023 120.507 120.500 -0.026 0.000 2.083 583 R HA -0.153 4.915 4.340 1.213 0.000 0.237 583 R C 2.360 178.724 176.300 0.106 0.000 1.137 583 R CA 1.954 58.013 56.100 -0.069 0.000 0.951 583 R CB -0.463 29.582 30.300 -0.425 0.000 0.851 583 R HN 0.542 nan 8.270 nan 0.000 0.434 584 R N -0.016 120.660 120.500 0.292 0.000 2.091 584 R HA -0.176 4.892 4.340 1.213 0.000 0.238 584 R C 2.264 178.698 176.300 0.224 0.000 1.136 584 R CA 2.277 58.565 56.100 0.314 0.000 0.959 584 R CB -0.152 30.339 30.300 0.318 0.000 0.856 584 R HN 0.464 nan 8.270 nan 0.000 0.437 585 Q N -0.037 119.881 119.800 0.198 0.000 2.123 585 Q HA -0.078 4.990 4.340 1.213 0.000 0.199 585 Q C 2.235 178.407 176.000 0.288 0.000 0.966 585 Q CA 1.133 57.081 55.803 0.242 0.000 0.845 585 Q CB 0.031 28.875 28.738 0.178 0.000 0.907 585 Q HN 0.348 nan 8.270 nan 0.000 0.439 586 L N -0.152 121.179 121.223 0.181 0.000 2.012 586 L HA -0.230 4.838 4.340 1.213 0.000 0.210 586 L C 2.458 179.473 176.870 0.241 0.000 1.073 586 L CA 0.930 55.887 54.840 0.195 0.000 0.748 586 L CB -0.411 41.701 42.059 0.089 0.000 0.891 586 L HN 0.369 nan 8.230 nan 0.000 0.431 587 M N -0.432 119.280 119.600 0.187 0.000 2.117 587 M HA -0.187 5.021 4.480 1.213 0.000 0.262 587 M C 2.680 179.082 176.300 0.170 0.000 1.065 587 M CA 2.253 57.648 55.300 0.159 0.000 1.114 587 M CB -1.140 31.544 32.600 0.141 0.000 1.361 587 M HN 0.424 nan 8.290 nan 0.000 0.408 588 E N -0.432 119.904 120.200 0.228 0.000 2.106 588 E HA -0.235 4.843 4.350 1.213 0.000 0.192 588 E C 1.773 178.488 176.600 0.192 0.000 0.984 588 E CA 1.410 57.962 56.400 0.254 0.000 0.806 588 E CB -1.487 28.422 29.700 0.349 0.000 0.750 588 E HN 0.641 nan 8.360 nan 0.000 0.458 589 Y N 0.928 121.234 120.300 0.009 0.000 2.128 589 Y HA -0.214 5.062 4.550 1.211 0.000 0.284 589 Y C 2.460 178.197 175.900 -0.272 0.000 1.154 589 Y CA 2.222 60.073 58.100 -0.416 0.000 1.149 589 Y CB -0.276 38.077 38.460 -0.178 0.000 0.976 589 Y HN 0.131 nan 8.280 nan 0.000 0.505 590 V N 0.334 120.233 119.914 -0.025 0.000 2.346 590 V HA -0.239 4.609 4.120 1.213 0.000 0.244 590 V C 2.303 178.334 176.094 -0.105 0.000 1.037 590 V CA 2.061 64.314 62.300 -0.079 0.000 1.029 590 V CB -0.716 31.126 31.823 0.032 0.000 0.663 590 V HN 0.283 nan 8.190 nan 0.000 0.454 591 K N 0.293 120.672 120.400 -0.035 0.000 2.160 591 K HA -0.174 4.874 4.320 1.213 0.000 0.206 591 K C 2.010 178.578 176.600 -0.053 0.000 1.047 591 K CA 1.603 57.878 56.287 -0.019 0.000 0.930 591 K CB -0.010 32.509 32.500 0.033 0.000 0.720 591 K HN 0.375 nan 8.250 nan 0.000 0.450 592 R N -0.521 119.918 120.500 -0.100 0.000 2.437 592 R HA 0.210 5.278 4.340 1.213 0.000 0.257 592 R C 0.186 176.359 176.300 -0.211 0.000 0.927 592 R CA -0.394 55.645 56.100 -0.102 0.000 1.078 592 R CB 0.250 30.551 30.300 0.001 0.000 1.161 592 R HN 0.174 nan 8.270 nan 0.000 0.529 593 M N 2.078 121.496 119.600 -0.303 0.000 2.251 593 M HA -0.029 5.179 4.480 1.213 0.000 0.343 593 M C -0.265 175.915 176.300 -0.202 0.000 1.245 593 M CA 1.081 56.177 55.300 -0.340 0.000 1.061 593 M CB 0.510 32.929 32.600 -0.302 0.000 1.723 593 M HN 0.161 nan 8.290 nan 0.000 0.449 594 Q N 6.314 125.987 119.800 -0.212 0.000 2.321 594 Q HA 0.612 5.680 4.340 1.213 0.000 0.270 594 Q C -3.013 172.938 176.000 -0.081 0.000 1.032 594 Q CA -1.899 53.822 55.803 -0.136 0.000 0.784 594 Q CB 0.956 29.607 28.738 -0.144 0.000 1.264 594 Q HN 0.527 nan 8.270 nan 0.000 0.448 595 P HA 0.211 nan 4.420 nan 0.000 0.275 595 P C -0.447 176.830 177.300 -0.039 0.000 1.270 595 P CA -0.560 62.521 63.100 -0.032 0.000 0.791 595 P CB 0.526 32.217 31.700 -0.015 0.000 1.089 596 R N 1.493 121.965 120.500 -0.047 0.000 2.389 596 R HA 0.240 5.307 4.340 1.213 0.000 0.295 596 R C -2.016 174.252 176.300 -0.053 0.000 1.075 596 R CA -1.386 54.681 56.100 -0.056 0.000 1.005 596 R CB -0.213 30.056 30.300 -0.052 0.000 0.987 596 R HN 0.384 nan 8.270 nan 0.000 0.452 597 P HA 0.136 nan 4.420 nan 0.000 0.279 597 P C -0.752 176.500 177.300 -0.081 0.000 1.252 597 P CA -0.243 62.816 63.100 -0.070 0.000 0.811 597 P CB 1.056 32.712 31.700 -0.074 0.000 1.035 598 E N 0.427 120.581 120.200 -0.076 0.000 2.250 598 E HA 0.021 5.099 4.350 1.213 0.000 0.192 598 E C 0.339 176.863 176.600 -0.126 0.000 0.986 598 E CA 0.579 56.932 56.400 -0.078 0.000 0.849 598 E CB 0.174 29.852 29.700 -0.036 0.000 0.797 598 E HN 0.358 nan 8.360 nan 0.000 0.482 599 R N 0.723 121.146 120.500 -0.128 0.000 2.725 599 R HA 0.503 5.571 4.340 1.213 0.000 0.277 599 R C -0.846 175.297 176.300 -0.262 0.000 0.987 599 R CA -0.677 55.272 56.100 -0.253 0.000 0.901 599 R CB 2.155 32.310 30.300 -0.243 0.000 1.207 599 R HN -0.020 nan 8.270 nan 0.000 0.463 600 V N 0.821 120.490 119.914 -0.409 0.000 2.914 600 V HA 0.797 5.645 4.120 1.213 0.000 0.314 600 V C -1.559 174.205 176.094 -0.549 0.000 1.084 600 V CA -0.681 61.435 62.300 -0.306 0.000 0.963 600 V CB 2.056 33.796 31.823 -0.138 0.000 1.025 600 V HN 0.606 nan 8.190 nan 0.000 0.432 601 F N 2.069 121.968 119.950 -0.085 0.000 2.563 601 F HA 0.810 6.067 4.527 1.217 0.000 0.316 601 F C 0.449 176.224 175.800 -0.041 0.000 1.076 601 F CA -0.172 57.792 58.000 -0.061 0.000 0.921 601 F CB 2.596 41.544 39.000 -0.087 0.000 1.209 601 F HN 0.803 nan 8.300 nan 0.000 0.462 602 T N -0.666 114.008 114.554 0.200 0.000 2.885 602 T HA 0.875 5.953 4.350 1.213 0.000 0.285 602 T C -0.901 173.900 174.700 0.168 0.000 1.019 602 T CA -0.682 61.502 62.100 0.140 0.000 1.010 602 T CB 2.398 71.325 68.868 0.098 0.000 1.022 602 T HN 0.683 nan 8.240 nan 0.000 0.466 603 E N -0.471 119.833 120.200 0.173 0.000 2.449 603 E HA 0.434 5.512 4.350 1.213 0.000 0.278 603 E C -0.665 176.100 176.600 0.274 0.000 1.059 603 E CA -1.130 55.418 56.400 0.247 0.000 0.854 603 E CB 0.124 30.047 29.700 0.371 0.000 1.465 603 E HN 0.808 nan 8.360 nan 0.000 0.462 604 H N -0.589 118.571 119.070 0.150 0.000 2.765 604 H HA -0.105 5.178 4.556 1.212 0.000 0.332 604 H C -0.949 174.364 175.328 -0.025 0.000 1.180 604 H CA 1.427 57.532 56.048 0.094 0.000 1.142 604 H CB -1.221 28.637 29.762 0.160 0.000 1.576 604 H HN 1.200 nan 8.280 nan 0.000 0.420 605 G N 1.544 110.315 108.800 -0.048 0.000 2.576 605 G HA2 0.381 5.068 3.960 1.213 0.000 0.290 605 G HA3 0.381 5.068 3.960 1.213 0.000 0.290 605 G C -0.987 173.851 174.900 -0.103 0.000 1.442 605 G CA -0.340 44.685 45.100 -0.123 0.000 0.792 605 G HN 0.353 nan 8.290 nan 0.000 0.491 606 D N -0.576 119.752 120.400 -0.120 0.000 2.360 606 D HA 0.137 5.504 4.640 1.213 0.000 0.242 606 D C 1.194 177.467 176.300 -0.045 0.000 1.184 606 D CA -0.218 53.737 54.000 -0.075 0.000 0.930 606 D CB 1.231 41.985 40.800 -0.075 0.000 1.161 606 D HN 0.568 nan 8.370 nan 0.000 0.447 607 E N 0.328 120.513 120.200 -0.024 0.000 2.086 607 E HA -0.373 4.705 4.350 1.213 0.000 0.205 607 E C 1.667 178.262 176.600 -0.008 0.000 1.027 607 E CA 1.629 58.026 56.400 -0.006 0.000 0.830 607 E CB 0.025 29.724 29.700 -0.000 0.000 0.751 607 E HN 0.546 nan 8.360 nan 0.000 0.456 608 K N -0.322 120.067 120.400 -0.017 0.000 2.097 608 K HA -0.172 4.876 4.320 1.213 0.000 0.206 608 K C 2.015 178.600 176.600 -0.026 0.000 1.049 608 K CA 1.011 57.288 56.287 -0.017 0.000 0.933 608 K CB -0.147 32.340 32.500 -0.021 0.000 0.717 608 K HN 0.200 nan 8.250 nan 0.000 0.442 609 A N 0.821 123.614 122.820 -0.046 0.000 1.858 609 A HA -0.197 4.851 4.320 1.213 0.000 0.216 609 A C 2.459 180.029 177.584 -0.023 0.000 1.190 609 A CA 1.750 53.752 52.037 -0.058 0.000 0.617 609 A CB -1.026 17.911 19.000 -0.105 0.000 0.827 609 A HN 0.533 nan 8.150 nan 0.000 0.443 610 C N -1.265 118.033 119.300 -0.004 0.000 2.432 610 C HA -0.051 5.137 4.460 1.213 0.000 0.277 610 C C 2.749 177.760 174.990 0.035 0.000 1.249 610 C CA 1.043 60.079 59.018 0.030 0.000 1.725 610 C CB -1.246 26.525 27.740 0.052 0.000 2.028 610 C HN 0.451 nan 8.230 nan 0.000 0.477 611 V N 1.193 121.123 119.914 0.028 0.000 2.427 611 V HA -0.113 4.735 4.120 1.213 0.000 0.248 611 V C 2.421 178.531 176.094 0.026 0.000 1.051 611 V CA 2.604 64.924 62.300 0.032 0.000 1.048 611 V CB -1.438 30.400 31.823 0.025 0.000 0.666 611 V HN 0.758 nan 8.190 nan 0.000 0.456 612 D N -0.008 120.400 120.400 0.013 0.000 2.084 612 D HA -0.178 5.190 4.640 1.213 0.000 0.196 612 D C 2.068 178.379 176.300 0.018 0.000 0.985 612 D CA 1.568 55.573 54.000 0.009 0.000 0.826 612 D CB -0.389 40.406 40.800 -0.010 0.000 0.978 612 D HN 0.294 nan 8.370 nan 0.000 0.456 613 L N 0.455 121.688 121.223 0.015 0.000 2.042 613 L HA 0.128 5.195 4.340 1.213 0.000 0.210 613 L C 2.868 179.762 176.870 0.040 0.000 1.076 613 L CA 2.262 57.118 54.840 0.026 0.000 0.749 613 L CB -0.793 41.282 42.059 0.026 0.000 0.893 613 L HN 0.331 nan 8.230 nan 0.000 0.432 614 A N -0.770 122.075 122.820 0.042 0.000 1.851 614 A HA -0.250 4.798 4.320 1.213 0.000 0.216 614 A C 2.462 180.091 177.584 0.076 0.000 1.195 614 A CA 2.520 54.584 52.037 0.044 0.000 0.622 614 A CB -1.333 17.695 19.000 0.048 0.000 0.831 614 A HN 0.641 nan 8.150 nan 0.000 0.444 615 S N -0.587 115.162 115.700 0.081 0.000 2.423 615 S HA -0.103 5.095 4.470 1.213 0.000 0.231 615 S C 1.962 176.617 174.600 0.091 0.000 1.014 615 S CA 1.528 59.786 58.200 0.098 0.000 0.965 615 S CB -0.600 62.629 63.200 0.047 0.000 0.785 615 S HN 0.420 nan 8.310 nan 0.000 0.495 616 S N 1.319 117.059 115.700 0.067 0.000 2.382 616 S HA -0.003 5.195 4.470 1.213 0.000 0.228 616 S C 1.883 176.529 174.600 0.077 0.000 1.027 616 S CA 1.193 59.432 58.200 0.065 0.000 0.991 616 S CB -0.474 62.758 63.200 0.053 0.000 0.823 616 S HN 0.463 nan 8.310 nan 0.000 0.469 617 V N 0.251 120.209 119.914 0.072 0.000 2.453 617 V HA -0.118 4.730 4.120 1.213 0.000 0.247 617 V C 1.943 178.083 176.094 0.078 0.000 1.048 617 V CA 1.370 63.701 62.300 0.052 0.000 1.049 617 V CB -0.702 31.128 31.823 0.012 0.000 0.672 617 V HN 0.446 nan 8.190 nan 0.000 0.457 618 Y N 1.878 122.164 120.300 -0.024 0.000 2.181 618 Y HA -0.222 5.057 4.550 1.215 0.000 0.288 618 Y C 2.534 178.425 175.900 -0.016 0.000 1.146 618 Y CA 2.008 60.090 58.100 -0.030 0.000 1.164 618 Y CB -0.754 37.685 38.460 -0.035 0.000 0.982 618 Y HN 0.257 nan 8.280 nan 0.000 0.515 619 K N 0.450 120.961 120.400 0.186 0.000 2.007 619 K HA -0.086 4.962 4.320 1.213 0.000 0.206 619 K C 2.133 178.781 176.600 0.080 0.000 1.047 619 K CA 1.714 58.056 56.287 0.092 0.000 0.937 619 K CB -0.666 31.863 32.500 0.048 0.000 0.718 619 K HN 0.302 nan 8.250 nan 0.000 0.438 620 K N -0.274 120.170 120.400 0.073 0.000 2.062 620 K HA 0.133 5.181 4.320 1.213 0.000 0.205 620 K C 2.064 178.694 176.600 0.051 0.000 1.051 620 K CA 1.384 57.705 56.287 0.057 0.000 0.941 620 K CB -0.014 32.521 32.500 0.058 0.000 0.719 620 K HN 0.328 nan 8.250 nan 0.000 0.440 621 L N -0.035 121.218 121.223 0.050 0.000 2.616 621 L HA 0.025 5.093 4.340 1.213 0.000 0.229 621 L C 0.621 177.503 176.870 0.021 0.000 1.110 621 L CA -0.086 54.770 54.840 0.026 0.000 0.884 621 L CB 0.397 42.461 42.059 0.009 0.000 1.115 621 L HN -0.155 nan 8.230 nan 0.000 0.481 622 K N 0.176 120.611 120.400 0.058 0.000 3.274 622 K HA -0.169 4.879 4.320 1.213 0.000 0.300 622 K C 0.144 176.730 176.600 -0.023 0.000 1.230 622 K CA 1.007 57.340 56.287 0.077 0.000 0.884 622 K CB -2.694 29.840 32.500 0.057 0.000 1.242 622 K HN 0.397 nan 8.250 nan 0.000 0.467 623 I N 1.325 121.828 120.570 -0.111 0.000 2.342 623 I HA 0.177 5.075 4.170 1.213 0.000 0.291 623 I C 0.969 176.753 176.117 -0.555 0.000 1.010 623 I CA -0.432 60.724 61.300 -0.240 0.000 1.308 623 I CB 1.311 39.202 38.000 -0.181 0.000 1.400 623 I HN 0.208 nan 8.210 nan 0.000 0.488 624 E N 5.505 125.278 120.200 -0.710 0.000 2.493 624 E HA 0.047 5.125 4.350 1.213 0.000 0.255 624 E C -0.437 175.676 176.600 -0.812 0.000 0.999 624 E CA 0.179 55.873 56.400 -1.176 0.000 0.934 624 E CB 0.559 29.888 29.700 -0.619 0.000 0.940 624 E HN 0.688 nan 8.360 nan 0.000 0.473 625 T N 2.924 117.019 114.554 -0.765 0.000 2.894 625 T HA 0.610 5.688 4.350 1.213 0.000 0.309 625 T C -1.031 173.557 174.700 -0.187 0.000 1.208 625 T CA -1.024 60.816 62.100 -0.434 0.000 1.016 625 T CB 1.658 70.358 68.868 -0.281 0.000 1.192 625 T HN 0.593 nan 8.240 nan 0.000 0.491 626 R N 1.432 121.808 120.500 -0.205 0.000 2.629 626 R HA 0.713 5.780 4.340 1.213 0.000 0.266 626 R C -1.290 175.073 176.300 0.105 0.000 1.051 626 R CA -0.584 55.513 56.100 -0.005 0.000 0.895 626 R CB 1.640 31.962 30.300 0.036 0.000 1.246 626 R HN 1.052 nan 8.270 nan 0.000 0.459 627 A N 4.289 127.187 122.820 0.129 0.000 2.388 627 A HA 0.437 5.484 4.320 1.213 0.000 0.257 627 A C -0.217 177.484 177.584 0.196 0.000 1.095 627 A CA -0.510 51.621 52.037 0.157 0.000 0.791 627 A CB 0.312 19.375 19.000 0.104 0.000 1.029 627 A HN 0.627 nan 8.150 nan 0.000 0.489 628 L N 1.215 122.564 121.223 0.211 0.000 2.439 628 L HA 0.415 5.483 4.340 1.213 0.000 0.261 628 L C 0.481 177.423 176.870 0.120 0.000 1.153 628 L CA -0.162 54.782 54.840 0.174 0.000 0.808 628 L CB 1.191 43.372 42.059 0.204 0.000 1.126 628 L HN 0.692 nan 8.230 nan 0.000 0.460 629 T N 0.602 115.200 114.554 0.074 0.000 2.863 629 T HA 0.276 5.353 4.350 1.213 0.000 0.285 629 T C -0.299 174.403 174.700 0.002 0.000 1.009 629 T CA -0.759 61.362 62.100 0.036 0.000 0.989 629 T CB 1.195 70.072 68.868 0.014 0.000 1.004 629 T HN 0.390 nan 8.240 nan 0.000 0.455 630 N N 2.633 121.329 118.700 -0.008 0.000 2.412 630 N HA 0.156 5.624 4.740 1.213 0.000 0.258 630 N C 1.045 176.471 175.510 -0.141 0.000 1.236 630 N CA 0.267 53.290 53.050 -0.045 0.000 0.882 630 N CB 0.009 38.529 38.487 0.055 0.000 1.066 630 N HN 0.744 nan 8.380 nan 0.000 0.465 631 L N -0.952 120.166 121.223 -0.176 0.000 4.892 631 L HA -0.251 4.817 4.340 1.213 0.000 0.403 631 L C 0.030 176.806 176.870 -0.156 0.000 0.913 631 L CA 0.950 55.653 54.840 -0.229 0.000 1.653 631 L CB -1.184 40.644 42.059 -0.385 0.000 1.780 631 L HN 0.578 nan 8.230 nan 0.000 0.597 632 E N 0.420 120.557 120.200 -0.105 0.000 2.319 632 E HA 0.481 5.559 4.350 1.213 0.000 0.268 632 E C 0.032 176.583 176.600 -0.081 0.000 1.050 632 E CA -0.158 56.193 56.400 -0.081 0.000 0.878 632 E CB 1.348 31.020 29.700 -0.047 0.000 1.066 632 E HN -0.020 nan 8.360 nan 0.000 0.406 633 T N 1.219 115.719 114.554 -0.089 0.000 2.848 633 T HA 0.366 5.444 4.350 1.213 0.000 0.285 633 T C -0.586 174.048 174.700 -0.111 0.000 0.995 633 T CA -0.580 61.460 62.100 -0.100 0.000 0.970 633 T CB 1.461 70.261 68.868 -0.112 0.000 0.976 633 T HN 0.101 nan 8.240 nan 0.000 0.441 634 V N 3.110 122.936 119.914 -0.146 0.000 2.581 634 V HA 0.551 5.399 4.120 1.213 0.000 0.303 634 V C 0.137 176.148 176.094 -0.139 0.000 1.041 634 V CA -0.996 61.212 62.300 -0.154 0.000 0.907 634 V CB 1.894 33.524 31.823 -0.321 0.000 0.994 634 V HN 0.705 nan 8.190 nan 0.000 0.442 635 R N 2.980 123.427 120.500 -0.089 0.000 2.265 635 R HA 0.418 5.486 4.340 1.213 0.000 0.319 635 R C -0.069 176.200 176.300 -0.051 0.000 1.006 635 R CA -0.598 55.451 56.100 -0.084 0.000 0.880 635 R CB 1.027 31.271 30.300 -0.093 0.000 1.077 635 R HN 0.588 nan 8.270 nan 0.000 0.454 636 L N 4.423 125.586 121.223 -0.101 0.000 2.354 636 L HA 0.315 5.383 4.340 1.213 0.000 0.212 636 L C 0.457 177.173 176.870 -0.257 0.000 1.091 636 L CA 0.864 55.601 54.840 -0.173 0.000 0.828 636 L CB -0.261 41.596 42.059 -0.338 0.000 0.973 636 L HN 0.555 nan 8.230 nan 0.000 0.461 637 L N 0.000 121.118 121.223 -0.176 0.000 2.949 637 L HA 0.000 5.068 4.340 1.213 0.000 0.249 637 L CA 0.000 54.790 54.840 -0.083 0.000 0.813 637 L CB 0.000 41.966 42.059 -0.156 0.000 0.961 637 L HN 0.000 nan 8.230 nan 0.000 0.502