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 1qal_1_B DATA FIRST_RESID 6 DATA SEQUENCE HMVPMDKTLK EFGADVQWDD YAQLFTLIKD GAYVKVKPGA QTAIVNGQPL DATA SEQUENCE ALQVPVVMKD NKAWVSDTFI NDVFQSGLDQ TFQVEKRPHP LNALTADEIK DATA SEQUENCE QAVEIVKASA DFKPNTRFTE ISLLPPDKEA VWAFALENKP VDQPRKADVI DATA SEQUENCE MLDGKHIIEA VVDLQNNKLL SWQPIKDAHG MVLLDDFASV QNIINNSEEF DATA SEQUENCE AAAVKKRGIT DAKKVITTPL TVGYFDGKDG LKQDARLLKV ISYLDVGDGN DATA SEQUENCE YWAHPIENLV AVVDLEQKKI VKIEEGPVVP VPMTARPFDG RDRVAPAVKP DATA SEQUENCE MQIIEPEGKN YTITGDMIHW RNWDFHLSMN SRVGPMISTV TYNDNGTKRK DATA SEQUENCE VMYEGSLGGM IVPYGDPDIG WYFKAYLNSG DYGMGTLTSP IARGKDAPSN DATA SEQUENCE AVLLNETIAD YTGVPMEIPR AIAVFERYAG PEYKHQEMGQ PNVSTERREL DATA SEQUENCE VVRWISTVGN XDYIFDWIFH ENGTIGIDAG ATGIEAVKGV KAKTMHDETA DATA SEQUENCE KDDTRYGTLI DHNIVGTTHQ HIYNFRLDLD VDGENNSLVA MDPVVKPNTA DATA SEQUENCE GGPRTSTMQV NQYNIGNEQD AAQKFDPGTI RLLSNPNKEN RMGNPVSYQI DATA SEQUENCE IPYAGGTHPV AKGAQFAPDE WIYHRLSFMD KQLWVTRYHP GERFPEGKYP DATA SEQUENCE NRSTHDTGLG QYSKDNESLD NTDAVVWMTT GTTHVARAEE WPIMPTEWVH DATA SEQUENCE TLLKPWNFFD ETPTLGALKK D 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 6 H HA 0.000 nan 4.556 nan 0.000 0.296 6 H C 0.000 175.349 175.328 0.035 0.000 0.993 6 H CA 0.000 56.053 56.048 0.008 0.000 1.023 6 H CB 0.000 29.767 29.762 0.009 0.000 1.292 7 M N 1.011 120.414 119.600 -0.329 0.000 2.727 7 M HA 0.566 5.046 4.480 0.001 0.000 0.300 7 M C -0.821 175.421 176.300 -0.098 0.000 1.246 7 M CA -1.312 53.834 55.300 -0.256 0.000 0.835 7 M CB 3.107 35.686 32.600 -0.036 0.000 1.755 7 M HN 0.423 nan 8.290 nan 0.000 0.473 8 V N 2.236 122.162 119.914 0.020 0.000 2.914 8 V HA 0.639 4.760 4.120 0.001 0.000 0.314 8 V C -2.424 173.615 176.094 -0.091 0.000 1.084 8 V CA -2.244 60.088 62.300 0.054 0.000 0.963 8 V CB 2.744 34.524 31.823 -0.072 0.000 1.025 8 V HN 0.606 nan 8.190 nan 0.000 0.432 9 P HA 0.072 nan 4.420 nan 0.000 0.265 9 P C 0.666 177.617 177.300 -0.581 0.000 1.222 9 P CA 0.263 62.760 63.100 -1.006 0.000 0.767 9 P CB 0.788 31.930 31.700 -0.931 0.000 0.801 10 M N 3.381 122.624 119.600 -0.594 0.000 2.073 10 M HA -0.257 4.224 4.480 0.001 0.000 0.258 10 M C 0.869 176.929 176.300 -0.400 0.000 1.070 10 M CA 2.305 57.294 55.300 -0.518 0.000 1.103 10 M CB -0.432 31.772 32.600 -0.659 0.000 1.321 10 M HN 0.167 nan 8.290 nan 0.000 0.405 11 D N 0.133 120.316 120.400 -0.363 0.000 2.078 11 D HA -0.200 4.441 4.640 0.001 0.000 0.193 11 D C 1.899 178.098 176.300 -0.167 0.000 0.990 11 D CA 1.691 55.557 54.000 -0.224 0.000 0.827 11 D CB -0.283 40.414 40.800 -0.172 0.000 0.975 11 D HN 0.338 nan 8.370 nan 0.000 0.451 12 K N 0.039 120.325 120.400 -0.190 0.000 2.020 12 K HA -0.202 4.119 4.320 0.001 0.000 0.212 12 K C 1.925 178.463 176.600 -0.104 0.000 1.050 12 K CA 1.954 58.160 56.287 -0.134 0.000 0.929 12 K CB -0.360 32.049 32.500 -0.151 0.000 0.714 12 K HN 0.102 nan 8.250 nan 0.000 0.443 13 T N 2.297 116.769 114.554 -0.136 0.000 2.652 13 T HA -0.164 4.186 4.350 0.001 0.000 0.267 13 T C 1.933 176.620 174.700 -0.022 0.000 1.039 13 T CA 1.717 63.767 62.100 -0.083 0.000 1.153 13 T CB -0.271 68.521 68.868 -0.126 0.000 0.863 13 T HN 0.190 nan 8.240 nan 0.000 0.428 14 L N 0.141 121.335 121.223 -0.048 0.000 2.042 14 L HA -0.159 4.182 4.340 0.001 0.000 0.210 14 L C 2.700 179.616 176.870 0.076 0.000 1.076 14 L CA 1.244 56.114 54.840 0.049 0.000 0.749 14 L CB -0.418 41.643 42.059 0.003 0.000 0.893 14 L HN 0.122 nan 8.230 nan 0.000 0.432 15 K N 0.060 120.466 120.400 0.010 0.000 2.026 15 K HA -0.148 4.173 4.320 0.001 0.000 0.208 15 K C 2.032 178.635 176.600 0.005 0.000 1.048 15 K CA 1.123 57.410 56.287 -0.001 0.000 0.929 15 K CB -0.363 32.125 32.500 -0.020 0.000 0.713 15 K HN 0.271 nan 8.250 nan 0.000 0.439 16 E N -0.131 120.080 120.200 0.018 0.000 2.070 16 E HA -0.222 4.128 4.350 0.001 0.000 0.197 16 E C 1.960 178.591 176.600 0.052 0.000 1.004 16 E CA 1.072 57.487 56.400 0.027 0.000 0.805 16 E CB -0.541 29.178 29.700 0.031 0.000 0.744 16 E HN 0.312 nan 8.360 nan 0.000 0.451 17 F N 1.057 120.959 119.950 -0.080 0.000 2.408 17 F HA -0.004 4.524 4.527 0.001 0.000 0.300 17 F C 1.460 177.181 175.800 -0.131 0.000 1.090 17 F CA 1.606 59.540 58.000 -0.111 0.000 1.427 17 F CB -0.034 38.880 39.000 -0.143 0.000 1.070 17 F HN 0.191 nan 8.300 nan 0.000 0.549 18 G N -0.057 108.635 108.800 -0.181 0.000 2.141 18 G HA2 -0.050 3.911 3.960 0.001 0.000 0.231 18 G HA3 -0.050 3.911 3.960 0.001 0.000 0.231 18 G C 0.229 174.979 174.900 -0.250 0.000 0.984 18 G CA 0.035 44.977 45.100 -0.262 0.000 0.660 18 G HN 0.864 nan 8.290 nan 0.000 0.525 19 A N -0.306 122.430 122.820 -0.141 0.000 2.293 19 A HA 0.681 5.001 4.320 0.001 0.000 0.302 19 A C -0.037 177.559 177.584 0.020 0.000 1.119 19 A CA 0.274 52.278 52.037 -0.055 0.000 0.823 19 A CB 0.832 19.870 19.000 0.064 0.000 1.097 19 A HN 0.486 nan 8.150 nan 0.000 0.491 20 D N 0.685 121.113 120.400 0.047 0.000 2.264 20 D HA 0.430 5.071 4.640 0.001 0.000 0.250 20 D C -0.798 175.559 176.300 0.093 0.000 1.113 20 D CA 0.222 54.256 54.000 0.058 0.000 0.871 20 D CB 0.961 41.795 40.800 0.057 0.000 1.167 20 D HN 0.168 nan 8.370 nan 0.000 0.447 21 V N 5.006 124.980 119.914 0.100 0.000 2.378 21 V HA 0.348 4.469 4.120 0.001 0.000 0.288 21 V C -0.364 175.848 176.094 0.197 0.000 1.016 21 V CA -0.782 61.609 62.300 0.152 0.000 0.840 21 V CB 1.291 33.184 31.823 0.118 0.000 0.994 21 V HN 0.523 nan 8.190 nan 0.000 0.431 22 Q N 4.166 124.111 119.800 0.241 0.000 2.330 22 Q HA 0.343 4.684 4.340 0.001 0.000 0.269 22 Q C -1.060 175.119 176.000 0.298 0.000 1.022 22 Q CA -0.270 55.661 55.803 0.214 0.000 0.796 22 Q CB 3.167 31.975 28.738 0.117 0.000 1.271 22 Q HN 0.913 nan 8.270 nan 0.000 0.450 23 W N 4.323 125.626 121.300 0.005 0.000 2.475 23 W HA 0.323 4.984 4.660 0.001 0.000 0.317 23 W C -1.289 175.131 176.519 -0.166 0.000 1.046 23 W CA -0.510 56.698 57.345 -0.228 0.000 1.215 23 W CB 1.457 30.737 29.460 -0.300 0.000 1.335 23 W HN 0.524 nan 8.180 nan 0.000 0.471 24 D N 4.511 124.310 120.400 -1.001 0.000 2.441 24 D HA 0.044 4.684 4.640 0.001 0.000 0.231 24 D C 0.435 175.956 176.300 -1.298 0.000 1.073 24 D CA -0.057 53.466 54.000 -0.795 0.000 0.850 24 D CB 1.301 41.841 40.800 -0.434 0.000 1.062 24 D HN 0.518 nan 8.370 nan 0.000 0.524 25 D N 2.336 122.157 120.400 -0.965 0.000 2.219 25 D HA -0.225 4.415 4.640 0.001 0.000 0.205 25 D C 1.460 177.590 176.300 -0.284 0.000 0.970 25 D CA 0.976 54.630 54.000 -0.576 0.000 0.851 25 D CB 0.042 40.787 40.800 -0.092 0.000 0.943 25 D HN 0.510 nan 8.370 nan 0.000 0.488 26 Y N 0.381 120.492 120.300 -0.316 0.000 2.220 26 Y HA 0.100 4.651 4.550 0.001 0.000 0.291 26 Y C 1.927 177.704 175.900 -0.205 0.000 1.129 26 Y CA 1.602 59.585 58.100 -0.195 0.000 1.161 26 Y CB -0.338 38.033 38.460 -0.148 0.000 0.997 26 Y HN -0.001 nan 8.280 nan 0.000 0.522 27 A N -0.650 121.976 122.820 -0.323 0.000 2.218 27 A HA 0.069 4.390 4.320 0.001 0.000 0.209 27 A C 0.641 178.007 177.584 -0.363 0.000 1.168 27 A CA 0.499 52.326 52.037 -0.350 0.000 0.804 27 A CB -0.175 18.711 19.000 -0.191 0.000 0.834 27 A HN 0.503 nan 8.150 nan 0.000 0.482 28 Q N -1.900 117.586 119.800 -0.523 0.000 2.460 28 Q HA -0.205 4.136 4.340 0.001 0.000 0.311 28 Q C -0.758 175.024 176.000 -0.363 0.000 1.396 28 Q CA 1.020 56.555 55.803 -0.446 0.000 0.838 28 Q CB -2.049 26.643 28.738 -0.077 0.000 1.140 28 Q HN 0.616 nan 8.270 nan 0.000 0.415 29 L N -0.555 120.244 121.223 -0.707 0.000 2.422 29 L HA 0.710 5.050 4.340 0.001 0.000 0.264 29 L C -1.240 175.501 176.870 -0.215 0.000 0.984 29 L CA -0.607 54.079 54.840 -0.255 0.000 0.819 29 L CB 1.477 43.444 42.059 -0.154 0.000 1.330 29 L HN 0.004 nan 8.230 nan 0.000 0.410 30 F N 1.999 122.085 119.950 0.227 0.000 2.421 30 F HA 0.650 5.178 4.527 0.001 0.000 0.337 30 F C 0.316 176.179 175.800 0.104 0.000 1.105 30 F CA -0.235 57.923 58.000 0.264 0.000 1.049 30 F CB 2.220 41.375 39.000 0.258 0.000 1.139 30 F HN 0.364 nan 8.300 nan 0.000 0.479 31 T N 5.442 120.150 114.554 0.256 0.000 2.786 31 T HA 0.625 4.976 4.350 0.001 0.000 0.283 31 T C -0.610 174.126 174.700 0.060 0.000 0.992 31 T CA -0.558 61.571 62.100 0.049 0.000 0.954 31 T CB 0.529 69.377 68.868 -0.033 0.000 0.934 31 T HN 0.286 nan 8.240 nan 0.000 0.440 32 L N 4.442 125.672 121.223 0.012 0.000 2.341 32 L HA 0.703 5.043 4.340 0.001 0.000 0.278 32 L C -0.627 176.285 176.870 0.069 0.000 1.005 32 L CA -0.971 53.942 54.840 0.123 0.000 0.818 32 L CB 1.671 43.904 42.059 0.290 0.000 1.259 32 L HN 0.490 nan 8.230 nan 0.000 0.418 33 I N 3.098 123.745 120.570 0.128 0.000 2.533 33 I HA 0.449 4.620 4.170 0.001 0.000 0.290 33 I C -0.646 175.580 176.117 0.183 0.000 1.056 33 I CA -0.603 60.783 61.300 0.144 0.000 1.057 33 I CB 2.378 40.436 38.000 0.097 0.000 1.240 33 I HN 0.485 nan 8.210 nan 0.000 0.423 34 K N 5.806 126.353 120.400 0.245 0.000 2.731 34 K HA 0.328 4.649 4.320 0.001 0.000 0.257 34 K C -0.640 176.059 176.600 0.164 0.000 1.032 34 K CA -0.229 56.114 56.287 0.093 0.000 0.983 34 K CB 0.631 33.042 32.500 -0.149 0.000 1.248 34 K HN 0.657 nan 8.250 nan 0.000 0.484 35 D N 2.048 122.528 120.400 0.133 0.000 3.685 35 D HA -0.258 4.382 4.640 0.001 0.000 0.152 35 D C 1.008 177.448 176.300 0.234 0.000 0.966 35 D CA 2.152 56.268 54.000 0.194 0.000 1.085 35 D CB -1.030 39.906 40.800 0.226 0.000 0.521 35 D HN 0.655 nan 8.370 nan 0.000 0.543 36 G N 0.512 109.471 108.800 0.265 0.000 2.598 36 G HA2 0.280 4.240 3.960 0.001 0.000 0.215 36 G HA3 0.280 4.240 3.960 0.001 0.000 0.215 36 G C 0.463 175.495 174.900 0.221 0.000 1.131 36 G CA 1.183 46.404 45.100 0.202 0.000 0.785 36 G HN 0.660 nan 8.290 nan 0.000 0.539 37 A N -0.065 122.929 122.820 0.291 0.000 2.276 37 A HA 0.606 4.926 4.320 0.001 0.000 0.300 37 A C -1.480 176.299 177.584 0.324 0.000 1.235 37 A CA -0.619 51.602 52.037 0.306 0.000 0.867 37 A CB 0.421 19.679 19.000 0.431 0.000 1.137 37 A HN 0.279 nan 8.150 nan 0.000 0.527 38 Y N 3.397 123.777 120.300 0.133 0.000 2.388 38 Y HA 0.520 5.070 4.550 0.001 0.000 0.328 38 Y C -0.833 175.114 175.900 0.078 0.000 0.963 38 Y CA -0.519 57.652 58.100 0.118 0.000 1.240 38 Y CB 1.323 39.835 38.460 0.087 0.000 1.118 38 Y HN 0.463 nan 8.280 nan 0.000 0.484 39 V N 5.953 125.798 119.914 -0.114 0.000 2.628 39 V HA 0.544 4.664 4.120 0.001 0.000 0.306 39 V C -0.817 175.237 176.094 -0.067 0.000 1.045 39 V CA -1.196 61.065 62.300 -0.066 0.000 0.905 39 V CB 1.933 33.688 31.823 -0.114 0.000 0.997 39 V HN 0.595 nan 8.190 nan 0.000 0.436 40 K N 2.572 122.995 120.400 0.039 0.000 2.397 40 K HA 0.832 5.153 4.320 0.001 0.000 0.253 40 K C -1.659 175.017 176.600 0.127 0.000 0.932 40 K CA -0.755 55.587 56.287 0.091 0.000 0.795 40 K CB 2.745 35.311 32.500 0.111 0.000 1.159 40 K HN 0.433 nan 8.250 nan 0.000 0.424 41 V N 2.879 122.913 119.914 0.200 0.000 2.752 41 V HA 0.323 4.443 4.120 0.001 0.000 0.302 41 V C -1.792 174.487 176.094 0.307 0.000 1.133 41 V CA -0.740 61.699 62.300 0.230 0.000 0.919 41 V CB 1.896 33.879 31.823 0.266 0.000 1.026 41 V HN 0.679 nan 8.190 nan 0.000 0.429 42 K N 6.970 127.510 120.400 0.233 0.000 2.159 42 K HA 0.597 4.917 4.320 0.001 0.000 0.266 42 K C -2.687 174.069 176.600 0.260 0.000 0.975 42 K CA -1.804 54.629 56.287 0.244 0.000 0.865 42 K CB 1.708 34.288 32.500 0.134 0.000 1.087 42 K HN 0.443 nan 8.250 nan 0.000 0.446 43 P HA -0.081 nan 4.420 nan 0.000 0.266 43 P C 0.660 178.052 177.300 0.153 0.000 1.193 43 P CA 0.803 64.046 63.100 0.237 0.000 0.770 43 P CB 0.503 32.345 31.700 0.238 0.000 0.836 44 G N 1.065 109.936 108.800 0.117 0.000 2.220 44 G HA2 -0.259 3.701 3.960 0.001 0.000 0.269 44 G HA3 -0.259 3.701 3.960 0.001 0.000 0.269 44 G C 0.488 175.434 174.900 0.077 0.000 0.977 44 G CA 0.196 45.346 45.100 0.084 0.000 0.634 44 G HN 0.878 nan 8.290 nan 0.000 0.539 45 A N -0.189 122.687 122.820 0.093 0.000 2.388 45 A HA 0.648 4.969 4.320 0.001 0.000 0.257 45 A C 1.177 178.801 177.584 0.066 0.000 1.095 45 A CA 0.373 52.456 52.037 0.075 0.000 0.791 45 A CB 0.411 19.462 19.000 0.084 0.000 1.029 45 A HN 0.249 nan 8.150 nan 0.000 0.489 46 Q N 0.186 120.014 119.800 0.047 0.000 2.403 46 Q HA 0.041 4.382 4.340 0.001 0.000 0.203 46 Q C 0.446 176.463 176.000 0.028 0.000 0.932 46 Q CA 1.031 56.856 55.803 0.036 0.000 0.945 46 Q CB 0.118 28.871 28.738 0.025 0.000 1.045 46 Q HN 0.934 nan 8.270 nan 0.000 0.511 47 T N -3.229 111.345 114.554 0.035 0.000 2.868 47 T HA 0.778 5.128 4.350 0.001 0.000 0.306 47 T C -1.323 173.397 174.700 0.034 0.000 1.224 47 T CA -0.465 61.647 62.100 0.021 0.000 1.012 47 T CB 2.299 71.174 68.868 0.012 0.000 1.221 47 T HN 0.009 nan 8.240 nan 0.000 0.499 48 A N 2.121 124.948 122.820 0.011 0.000 2.435 48 A HA 0.866 5.187 4.320 0.001 0.000 0.296 48 A C -1.046 176.539 177.584 0.002 0.000 1.147 48 A CA -0.995 51.055 52.037 0.021 0.000 0.775 48 A CB 1.311 20.307 19.000 -0.006 0.000 1.340 48 A HN 0.822 nan 8.150 nan 0.000 0.427 49 I N 1.255 121.837 120.570 0.020 0.000 2.406 49 I HA 0.429 4.599 4.170 0.001 0.000 0.290 49 I C -0.855 175.274 176.117 0.019 0.000 0.999 49 I CA -0.530 60.786 61.300 0.026 0.000 1.124 49 I CB 1.175 39.212 38.000 0.061 0.000 1.289 49 I HN 0.239 nan 8.210 nan 0.000 0.441 50 V N 6.118 126.034 119.914 0.003 0.000 2.376 50 V HA 0.348 4.468 4.120 0.001 0.000 0.287 50 V C 0.479 176.603 176.094 0.050 0.000 1.015 50 V CA -0.778 61.524 62.300 0.002 0.000 0.834 50 V CB 0.914 32.698 31.823 -0.065 0.000 1.001 50 V HN 0.896 nan 8.190 nan 0.000 0.428 51 N N 4.175 122.942 118.700 0.112 0.000 2.725 51 N HA -0.247 4.493 4.740 0.001 0.000 0.251 51 N C 1.170 176.711 175.510 0.050 0.000 1.031 51 N CA 0.430 53.535 53.050 0.092 0.000 0.720 51 N CB -0.658 37.868 38.487 0.065 0.000 0.930 51 N HN 1.355 nan 8.380 nan 0.000 0.543 52 G N -1.222 107.614 108.800 0.060 0.000 2.212 52 G HA2 -0.339 3.621 3.960 0.001 0.000 0.266 52 G HA3 -0.339 3.621 3.960 0.001 0.000 0.266 52 G C -0.118 174.796 174.900 0.024 0.000 0.978 52 G CA 0.584 45.705 45.100 0.034 0.000 0.632 52 G HN 0.437 nan 8.290 nan 0.000 0.537 53 Q N 0.668 120.481 119.800 0.021 0.000 2.309 53 Q HA 0.491 4.832 4.340 0.001 0.000 0.264 53 Q C -2.537 173.465 176.000 0.003 0.000 1.008 53 Q CA -2.067 53.742 55.803 0.009 0.000 0.853 53 Q CB 2.479 31.219 28.738 0.003 0.000 1.314 53 Q HN 0.313 nan 8.270 nan 0.000 0.448 54 P HA 0.203 nan 4.420 nan 0.000 0.276 54 P C -0.860 176.428 177.300 -0.019 0.000 1.230 54 P CA -0.453 62.645 63.100 -0.005 0.000 0.776 54 P CB 0.785 32.485 31.700 0.000 0.000 0.888 55 L N 2.955 124.159 121.223 -0.031 0.000 2.439 55 L HA 0.665 5.006 4.340 0.001 0.000 0.270 55 L C -0.598 176.244 176.870 -0.046 0.000 0.972 55 L CA -0.908 53.900 54.840 -0.053 0.000 0.836 55 L CB 1.628 43.630 42.059 -0.095 0.000 1.255 55 L HN 0.464 nan 8.230 nan 0.000 0.404 56 A N 5.529 128.325 122.820 -0.039 0.000 2.351 56 A HA 0.711 5.032 4.320 0.001 0.000 0.257 56 A C -0.897 176.663 177.584 -0.039 0.000 1.087 56 A CA -0.207 51.814 52.037 -0.027 0.000 0.798 56 A CB 0.211 19.200 19.000 -0.018 0.000 1.033 56 A HN 0.731 nan 8.150 nan 0.000 0.488 57 L N 1.713 122.925 121.223 -0.018 0.000 2.406 57 L HA 0.286 4.627 4.340 0.001 0.000 0.272 57 L C 0.881 177.755 176.870 0.007 0.000 0.980 57 L CA -0.430 54.403 54.840 -0.013 0.000 0.831 57 L CB 1.856 43.924 42.059 0.015 0.000 1.253 57 L HN 0.977 nan 8.230 nan 0.000 0.406 58 Q N 1.459 121.262 119.800 0.005 0.000 2.049 58 Q HA 0.007 4.347 4.340 0.001 0.000 0.198 58 Q C 0.129 176.144 176.000 0.025 0.000 0.971 58 Q CA 1.012 56.823 55.803 0.012 0.000 0.833 58 Q CB 0.184 28.927 28.738 0.009 0.000 0.896 58 Q HN 0.436 nan 8.270 nan 0.000 0.434 59 V N 3.543 123.479 119.914 0.038 0.000 2.304 59 V HA 0.230 4.350 4.120 0.001 0.000 0.269 59 V C -2.217 173.927 176.094 0.083 0.000 1.036 59 V CA -1.604 60.728 62.300 0.052 0.000 0.840 59 V CB 0.657 32.513 31.823 0.054 0.000 1.036 59 V HN 0.103 nan 8.190 nan 0.000 0.466 60 P HA 0.170 nan 4.420 nan 0.000 0.272 60 P C -0.178 177.180 177.300 0.096 0.000 1.230 60 P CA -0.274 62.883 63.100 0.095 0.000 0.788 60 P CB 0.587 32.331 31.700 0.074 0.000 0.949 61 V N 2.575 122.554 119.914 0.107 0.000 2.599 61 V HA 0.006 4.127 4.120 0.001 0.000 0.300 61 V C 0.423 176.558 176.094 0.069 0.000 1.034 61 V CA 0.403 62.725 62.300 0.036 0.000 1.115 61 V CB 0.556 32.390 31.823 0.018 0.000 0.934 61 V HN 0.214 nan 8.190 nan 0.000 0.485 62 V N 6.767 126.723 119.914 0.070 0.000 2.459 62 V HA 0.416 4.537 4.120 0.001 0.000 0.295 62 V C 0.020 176.197 176.094 0.139 0.000 1.029 62 V CA -0.634 61.720 62.300 0.089 0.000 0.874 62 V CB 1.640 33.496 31.823 0.055 0.000 0.985 62 V HN 0.848 nan 8.190 nan 0.000 0.438 63 M N 6.290 125.952 119.600 0.103 0.000 2.061 63 M HA 0.445 4.926 4.480 0.001 0.000 0.346 63 M C -0.550 175.802 176.300 0.087 0.000 1.112 63 M CA -0.072 55.285 55.300 0.095 0.000 1.021 63 M CB 0.310 32.940 32.600 0.050 0.000 1.530 63 M HN 0.488 nan 8.290 nan 0.000 0.437 64 K N 4.051 124.537 120.400 0.143 0.000 2.413 64 K HA 0.321 4.641 4.320 0.001 0.000 0.257 64 K C -0.920 175.738 176.600 0.097 0.000 0.946 64 K CA -0.737 55.590 56.287 0.067 0.000 0.823 64 K CB 1.260 33.724 32.500 -0.060 0.000 1.109 64 K HN 0.675 nan 8.250 nan 0.000 0.427 65 D N 3.355 123.784 120.400 0.048 0.000 2.704 65 D HA -0.229 4.411 4.640 0.001 0.000 0.232 65 D C -0.217 176.112 176.300 0.048 0.000 1.183 65 D CA 0.764 54.791 54.000 0.045 0.000 0.647 65 D CB -0.793 40.034 40.800 0.045 0.000 1.013 65 D HN 0.858 nan 8.370 nan 0.000 0.415 66 N N -1.546 117.169 118.700 0.026 0.000 2.936 66 N HA -0.200 4.541 4.740 0.001 0.000 0.236 66 N C -0.120 175.361 175.510 -0.048 0.000 0.930 66 N CA 1.310 54.349 53.050 -0.019 0.000 0.966 66 N CB -0.575 37.907 38.487 -0.008 0.000 1.090 66 N HN 0.533 nan 8.380 nan 0.000 0.592 67 K N 0.437 120.857 120.400 0.033 0.000 2.270 67 K HA 0.704 5.025 4.320 0.001 0.000 0.255 67 K C -0.246 176.366 176.600 0.019 0.000 0.936 67 K CA -0.323 55.956 56.287 -0.014 0.000 0.809 67 K CB 1.914 34.449 32.500 0.057 0.000 1.131 67 K HN 0.166 nan 8.250 nan 0.000 0.427 68 A N 2.594 125.301 122.820 -0.189 0.000 2.304 68 A HA 0.608 4.928 4.320 0.001 0.000 0.301 68 A C -1.540 175.810 177.584 -0.390 0.000 1.132 68 A CA -0.363 51.583 52.037 -0.152 0.000 0.819 68 A CB 0.246 19.085 19.000 -0.269 0.000 1.094 68 A HN 0.686 nan 8.150 nan 0.000 0.492 69 W N 0.425 121.600 121.300 -0.208 0.000 3.022 69 W HA 0.531 5.192 4.660 0.001 0.000 0.335 69 W C -0.428 175.943 176.519 -0.245 0.000 1.133 69 W CA -0.486 56.734 57.345 -0.208 0.000 1.219 69 W CB 1.989 31.365 29.460 -0.140 0.000 1.409 69 W HN 0.738 nan 8.180 nan 0.000 0.507 70 V N -0.269 119.591 119.914 -0.089 0.000 3.074 70 V HA 0.757 4.877 4.120 0.001 0.000 0.314 70 V C 0.184 176.259 176.094 -0.033 0.000 1.117 70 V CA -1.126 61.083 62.300 -0.152 0.000 1.014 70 V CB 1.155 32.653 31.823 -0.541 0.000 1.057 70 V HN 0.521 nan 8.190 nan 0.000 0.438 71 S N 0.967 116.694 115.700 0.045 0.000 2.569 71 S HA 0.018 4.488 4.470 0.001 0.000 0.274 71 S C 1.053 175.661 174.600 0.013 0.000 1.353 71 S CA 0.538 58.756 58.200 0.030 0.000 1.023 71 S CB 0.383 63.633 63.200 0.083 0.000 0.876 71 S HN 1.148 nan 8.310 nan 0.000 0.540 72 D N 1.205 121.581 120.400 -0.040 0.000 2.371 72 D HA -0.081 4.559 4.640 0.001 0.000 0.221 72 D C 1.365 177.684 176.300 0.032 0.000 0.986 72 D CA 1.230 55.218 54.000 -0.020 0.000 0.899 72 D CB -0.662 40.149 40.800 0.019 0.000 0.902 72 D HN 0.602 nan 8.370 nan 0.000 0.530 73 T N -3.960 110.623 114.554 0.048 0.000 3.054 73 T HA 0.100 4.451 4.350 0.001 0.000 0.255 73 T C 1.461 176.182 174.700 0.036 0.000 1.035 73 T CA -0.611 61.508 62.100 0.032 0.000 0.941 73 T CB -0.716 68.162 68.868 0.016 0.000 1.026 73 T HN 0.002 nan 8.240 nan 0.000 0.533 74 F N 2.559 122.469 119.950 -0.066 0.000 2.043 74 F HA -0.070 4.457 4.527 0.001 0.000 0.297 74 F C 1.814 177.568 175.800 -0.077 0.000 1.118 74 F CA 1.435 59.390 58.000 -0.074 0.000 1.202 74 F CB -0.474 38.478 39.000 -0.080 0.000 0.965 74 F HN 0.104 nan 8.300 nan 0.000 0.482 75 I N 0.435 121.129 120.570 0.207 0.000 2.145 75 I HA -0.428 3.743 4.170 0.001 0.000 0.244 75 I C 2.241 178.322 176.117 -0.061 0.000 1.075 75 I CA 1.800 63.114 61.300 0.023 0.000 1.332 75 I CB -0.620 37.183 38.000 -0.328 0.000 1.033 75 I HN 0.292 nan 8.210 nan 0.000 0.410 76 N N 0.489 119.142 118.700 -0.077 0.000 2.135 76 N HA -0.151 4.589 4.740 0.001 0.000 0.186 76 N C 1.430 176.894 175.510 -0.077 0.000 1.027 76 N CA 1.366 54.387 53.050 -0.048 0.000 0.849 76 N CB -0.415 38.054 38.487 -0.030 0.000 1.002 76 N HN 0.351 nan 8.380 nan 0.000 0.425 77 D N 0.927 121.248 120.400 -0.132 0.000 2.133 77 D HA -0.106 4.534 4.640 0.001 0.000 0.195 77 D C 2.093 178.242 176.300 -0.251 0.000 0.997 77 D CA 0.753 54.650 54.000 -0.172 0.000 0.840 77 D CB -0.243 40.440 40.800 -0.195 0.000 0.947 77 D HN 0.043 nan 8.370 nan 0.000 0.452 78 V N 0.390 120.048 119.914 -0.427 0.000 2.256 78 V HA -0.173 3.948 4.120 0.001 0.000 0.240 78 V C 2.099 177.932 176.094 -0.435 0.000 1.036 78 V CA 1.231 63.185 62.300 -0.575 0.000 1.008 78 V CB -0.596 30.596 31.823 -1.052 0.000 0.648 78 V HN 0.033 nan 8.190 nan 0.000 0.453 79 F N -0.271 119.604 119.950 -0.124 0.000 2.604 79 F HA -0.025 4.503 4.527 0.001 0.000 0.298 79 F C 1.923 177.742 175.800 0.031 0.000 1.131 79 F CA 0.791 58.798 58.000 0.011 0.000 1.457 79 F CB -0.191 38.876 39.000 0.111 0.000 1.095 79 F HN 0.211 nan 8.300 nan 0.000 0.574 80 Q N -1.208 118.656 119.800 0.107 0.000 2.135 80 Q HA 0.097 4.438 4.340 0.001 0.000 0.231 80 Q C 1.924 177.938 176.000 0.024 0.000 0.817 80 Q CA 0.194 56.045 55.803 0.080 0.000 1.073 80 Q CB 0.295 29.070 28.738 0.062 0.000 1.176 80 Q HN 0.244 nan 8.270 nan 0.000 0.478 81 S N -1.118 114.573 115.700 -0.015 0.000 2.356 81 S HA -0.031 4.439 4.470 0.001 0.000 0.223 81 S C 1.669 176.266 174.600 -0.005 0.000 1.032 81 S CA 1.333 59.511 58.200 -0.035 0.000 1.005 81 S CB -0.162 62.989 63.200 -0.082 0.000 0.867 81 S HN 0.507 nan 8.310 nan 0.000 0.449 82 G N 0.413 109.224 108.800 0.017 0.000 2.296 82 G HA2 -0.153 3.808 3.960 0.001 0.000 0.188 82 G HA3 -0.153 3.808 3.960 0.001 0.000 0.188 82 G C 0.685 175.602 174.900 0.028 0.000 1.000 82 G CA 0.123 45.242 45.100 0.031 0.000 0.672 82 G HN 0.454 nan 8.290 nan 0.000 0.483 83 L N 0.994 122.225 121.223 0.013 0.000 2.291 83 L HA 0.186 4.527 4.340 0.001 0.000 0.214 83 L C 1.028 177.919 176.870 0.035 0.000 1.120 83 L CA 1.010 55.858 54.840 0.013 0.000 0.799 83 L CB -0.027 42.027 42.059 -0.007 0.000 0.925 83 L HN 0.261 nan 8.230 nan 0.000 0.446 84 D N 0.249 120.685 120.400 0.060 0.000 2.380 84 D HA 0.050 4.691 4.640 0.001 0.000 0.230 84 D C 0.613 176.974 176.300 0.102 0.000 1.154 84 D CA -0.057 54.001 54.000 0.097 0.000 0.859 84 D CB 0.945 41.838 40.800 0.155 0.000 1.045 84 D HN 0.118 nan 8.370 nan 0.000 0.495 85 Q N 2.211 122.052 119.800 0.068 0.000 2.320 85 Q HA 0.019 4.359 4.340 0.001 0.000 0.201 85 Q C 1.258 177.287 176.000 0.048 0.000 0.910 85 Q CA 0.078 55.918 55.803 0.060 0.000 0.946 85 Q CB 0.361 29.117 28.738 0.029 0.000 1.062 85 Q HN 0.517 nan 8.270 nan 0.000 0.503 86 T N 0.978 115.557 114.554 0.041 0.000 2.653 86 T HA -0.160 4.191 4.350 0.001 0.000 0.268 86 T C 0.299 174.895 174.700 -0.173 0.000 1.035 86 T CA 1.373 63.423 62.100 -0.083 0.000 1.154 86 T CB -0.125 68.702 68.868 -0.069 0.000 0.862 86 T HN 0.124 nan 8.240 nan 0.000 0.441 87 F N 1.360 121.353 119.950 0.072 0.000 2.420 87 F HA 0.488 5.016 4.527 0.001 0.000 0.342 87 F C 0.439 176.267 175.800 0.046 0.000 1.113 87 F CA -0.978 57.059 58.000 0.061 0.000 1.059 87 F CB 1.129 40.165 39.000 0.060 0.000 1.128 87 F HN -0.149 nan 8.300 nan 0.000 0.475 88 Q N 2.281 122.196 119.800 0.192 0.000 2.394 88 Q HA 0.442 4.783 4.340 0.001 0.000 0.273 88 Q C -0.803 175.267 176.000 0.117 0.000 1.089 88 Q CA -1.041 54.835 55.803 0.122 0.000 0.812 88 Q CB 2.638 31.418 28.738 0.070 0.000 1.353 88 Q HN 0.573 nan 8.270 nan 0.000 0.438 89 V N -0.945 119.023 119.914 0.090 0.000 2.572 89 V HA 0.263 4.384 4.120 0.001 0.000 0.291 89 V C 0.233 176.370 176.094 0.072 0.000 1.039 89 V CA -0.455 61.891 62.300 0.076 0.000 1.055 89 V CB 0.741 32.599 31.823 0.058 0.000 0.969 89 V HN 0.796 nan 8.190 nan 0.000 0.482 90 E N 3.474 123.721 120.200 0.078 0.000 2.316 90 E HA 0.201 4.552 4.350 0.001 0.000 0.275 90 E C 0.700 177.349 176.600 0.082 0.000 1.029 90 E CA -0.272 56.182 56.400 0.090 0.000 0.871 90 E CB 1.283 31.045 29.700 0.104 0.000 1.022 90 E HN 0.888 nan 8.360 nan 0.000 0.418 91 K N 3.847 124.297 120.400 0.083 0.000 2.099 91 K HA 0.051 4.371 4.320 0.001 0.000 0.203 91 K C 0.527 177.180 176.600 0.088 0.000 1.047 91 K CA 0.324 56.653 56.287 0.070 0.000 0.963 91 K CB 0.343 32.874 32.500 0.051 0.000 0.759 91 K HN 0.305 nan 8.250 nan 0.000 0.451 92 R N 2.028 122.604 120.500 0.126 0.000 2.246 92 R HA 0.276 4.617 4.340 0.001 0.000 0.332 92 R C -2.534 173.911 176.300 0.242 0.000 0.974 92 R CA -2.555 53.652 56.100 0.177 0.000 0.837 92 R CB 1.293 31.706 30.300 0.188 0.000 1.145 92 R HN 0.088 nan 8.270 nan 0.000 0.467 93 P HA -0.115 nan 4.420 nan 0.000 0.261 93 P C -0.859 176.438 177.300 -0.005 0.000 1.183 93 P CA 0.357 63.514 63.100 0.094 0.000 0.761 93 P CB 0.335 32.056 31.700 0.035 0.000 0.785 94 H N 6.590 125.603 119.070 -0.096 0.000 2.803 94 H HA 0.074 4.630 4.556 0.001 0.000 0.330 94 H C -0.917 174.124 175.328 -0.478 0.000 1.057 94 H CA -1.271 54.541 56.048 -0.394 0.000 1.458 94 H CB 0.803 30.513 29.762 -0.088 0.000 1.470 94 H HN 0.306 nan 8.280 nan 0.000 0.560 95 P HA -0.171 nan 4.420 nan 0.000 0.221 95 P C 0.828 177.991 177.300 -0.227 0.000 1.145 95 P CA 1.114 63.944 63.100 -0.450 0.000 0.795 95 P CB 0.417 31.785 31.700 -0.553 0.000 0.775 96 L N -1.034 120.110 121.223 -0.132 0.000 2.607 96 L HA 0.143 4.483 4.340 0.001 0.000 0.228 96 L C 0.750 177.550 176.870 -0.117 0.000 1.123 96 L CA -0.182 54.514 54.840 -0.239 0.000 0.890 96 L CB -0.752 40.983 42.059 -0.541 0.000 1.103 96 L HN -0.044 nan 8.230 nan 0.000 0.468 97 N N 1.270 119.984 118.700 0.024 0.000 2.454 97 N HA 0.164 4.905 4.740 0.001 0.000 0.260 97 N C 0.503 176.037 175.510 0.040 0.000 1.218 97 N CA -0.294 52.837 53.050 0.135 0.000 0.904 97 N CB 0.938 39.484 38.487 0.098 0.000 1.065 97 N HN 0.155 nan 8.380 nan 0.000 0.462 98 A N 2.898 125.737 122.820 0.031 0.000 2.475 98 A HA 0.080 4.401 4.320 0.001 0.000 0.239 98 A C 0.480 178.057 177.584 -0.012 0.000 1.087 98 A CA -0.222 51.810 52.037 -0.007 0.000 0.779 98 A CB 0.098 19.082 19.000 -0.026 0.000 1.036 98 A HN 0.641 nan 8.150 nan 0.000 0.506 99 L N 1.449 122.660 121.223 -0.019 0.000 2.499 99 L HA 0.156 4.497 4.340 0.001 0.000 0.273 99 L C 1.453 178.310 176.870 -0.022 0.000 1.195 99 L CA -0.082 54.745 54.840 -0.021 0.000 0.882 99 L CB -0.063 41.981 42.059 -0.026 0.000 1.133 99 L HN 0.968 nan 8.230 nan 0.000 0.483 100 T N -0.154 114.388 114.554 -0.020 0.000 2.754 100 T HA 0.302 4.652 4.350 0.001 0.000 0.286 100 T C 1.245 175.928 174.700 -0.028 0.000 0.997 100 T CA -0.192 61.895 62.100 -0.020 0.000 0.982 100 T CB 1.208 70.067 68.868 -0.015 0.000 1.027 100 T HN 0.627 nan 8.240 nan 0.000 0.529 101 A N 0.441 123.244 122.820 -0.028 0.000 1.933 101 A HA -0.072 4.249 4.320 0.001 0.000 0.218 101 A C 2.067 179.627 177.584 -0.040 0.000 1.175 101 A CA 1.577 53.594 52.037 -0.034 0.000 0.628 101 A CB -0.941 18.041 19.000 -0.029 0.000 0.814 101 A HN 0.905 nan 8.150 nan 0.000 0.444 102 D N -0.391 119.990 120.400 -0.032 0.000 2.149 102 D HA -0.102 4.538 4.640 0.001 0.000 0.201 102 D C 1.827 178.104 176.300 -0.037 0.000 0.972 102 D CA 1.247 55.227 54.000 -0.033 0.000 0.835 102 D CB -0.317 40.469 40.800 -0.023 0.000 0.966 102 D HN 0.639 nan 8.370 nan 0.000 0.476 103 E N 0.415 120.594 120.200 -0.034 0.000 2.106 103 E HA -0.081 4.270 4.350 0.001 0.000 0.192 103 E C 2.317 178.887 176.600 -0.050 0.000 0.984 103 E CA 0.310 56.689 56.400 -0.035 0.000 0.806 103 E CB 0.091 29.775 29.700 -0.027 0.000 0.750 103 E HN 0.285 nan 8.360 nan 0.000 0.458 104 I N 1.252 121.785 120.570 -0.061 0.000 2.179 104 I HA -0.295 3.876 4.170 0.001 0.000 0.242 104 I C 2.250 178.293 176.117 -0.122 0.000 1.088 104 I CA 1.261 62.507 61.300 -0.090 0.000 1.357 104 I CB -0.162 37.784 38.000 -0.090 0.000 1.051 104 I HN 0.014 nan 8.210 nan 0.000 0.409 105 K N 0.193 120.532 120.400 -0.102 0.000 2.097 105 K HA -0.257 4.063 4.320 0.001 0.000 0.206 105 K C 2.127 178.669 176.600 -0.097 0.000 1.049 105 K CA 1.316 57.538 56.287 -0.108 0.000 0.933 105 K CB -0.231 32.222 32.500 -0.079 0.000 0.717 105 K HN 0.404 nan 8.250 nan 0.000 0.442 106 Q N 0.690 120.448 119.800 -0.071 0.000 2.046 106 Q HA -0.144 4.197 4.340 0.001 0.000 0.200 106 Q C 2.093 178.061 176.000 -0.054 0.000 0.975 106 Q CA 1.419 57.190 55.803 -0.053 0.000 0.836 106 Q CB -0.091 28.626 28.738 -0.035 0.000 0.896 106 Q HN 0.321 nan 8.270 nan 0.000 0.428 107 A N 0.034 122.818 122.820 -0.060 0.000 1.908 107 A HA -0.147 4.174 4.320 0.001 0.000 0.218 107 A C 2.195 179.742 177.584 -0.062 0.000 1.181 107 A CA 1.595 53.606 52.037 -0.044 0.000 0.627 107 A CB -0.731 18.240 19.000 -0.048 0.000 0.818 107 A HN 0.316 nan 8.150 nan 0.000 0.445 108 V N -0.016 119.808 119.914 -0.150 0.000 2.358 108 V HA -0.243 3.877 4.120 0.001 0.000 0.246 108 V C 2.391 178.396 176.094 -0.148 0.000 1.047 108 V CA 2.210 64.380 62.300 -0.216 0.000 1.035 108 V CB -0.774 30.822 31.823 -0.377 0.000 0.658 108 V HN 0.645 nan 8.190 nan 0.000 0.452 109 E N -0.090 120.040 120.200 -0.117 0.000 2.077 109 E HA -0.198 4.153 4.350 0.001 0.000 0.193 109 E C 2.185 178.741 176.600 -0.074 0.000 0.989 109 E CA 1.462 57.804 56.400 -0.098 0.000 0.800 109 E CB -0.184 29.476 29.700 -0.067 0.000 0.746 109 E HN 0.551 nan 8.360 nan 0.000 0.452 110 I N 0.983 121.532 120.570 -0.035 0.000 2.179 110 I HA -0.243 3.927 4.170 0.001 0.000 0.242 110 I C 2.640 178.787 176.117 0.050 0.000 1.088 110 I CA 1.088 62.394 61.300 0.009 0.000 1.357 110 I CB -0.389 37.630 38.000 0.032 0.000 1.051 110 I HN 0.100 nan 8.210 nan 0.000 0.409 111 V N -1.635 118.330 119.914 0.085 0.000 2.548 111 V HA -0.171 3.950 4.120 0.001 0.000 0.249 111 V C 2.165 178.276 176.094 0.029 0.000 1.055 111 V CA 1.383 63.829 62.300 0.243 0.000 1.065 111 V CB -0.845 31.225 31.823 0.412 0.000 0.681 111 V HN 0.320 nan 8.190 nan 0.000 0.462 112 K N 0.914 121.124 120.400 -0.317 0.000 2.362 112 K HA 0.184 4.505 4.320 0.001 0.000 0.200 112 K C 2.068 178.563 176.600 -0.175 0.000 1.046 112 K CA 1.113 57.036 56.287 -0.606 0.000 0.952 112 K CB -0.231 31.932 32.500 -0.561 0.000 0.753 112 K HN 0.625 nan 8.250 nan 0.000 0.466 113 A N 0.785 123.559 122.820 -0.075 0.000 2.218 113 A HA 0.024 4.345 4.320 0.001 0.000 0.209 113 A C 0.969 178.544 177.584 -0.016 0.000 1.168 113 A CA 0.049 52.069 52.037 -0.030 0.000 0.804 113 A CB 0.120 19.109 19.000 -0.019 0.000 0.834 113 A HN 0.140 nan 8.150 nan 0.000 0.482 114 S N -0.621 115.077 115.700 -0.003 0.000 2.580 114 S HA 0.449 4.920 4.470 0.001 0.000 0.274 114 S C 1.308 175.840 174.600 -0.112 0.000 1.329 114 S CA 0.019 58.166 58.200 -0.088 0.000 1.036 114 S CB 1.161 64.262 63.200 -0.164 0.000 0.919 114 S HN 0.717 nan 8.310 nan 0.000 0.515 115 A N 3.201 125.918 122.820 -0.172 0.000 2.121 115 A HA 0.005 4.326 4.320 0.001 0.000 0.218 115 A C 1.494 178.974 177.584 -0.174 0.000 1.154 115 A CA 1.269 53.225 52.037 -0.135 0.000 0.679 115 A CB -0.330 18.588 19.000 -0.137 0.000 0.795 115 A HN 0.883 nan 8.150 nan 0.000 0.458 116 D N -1.699 118.481 120.400 -0.367 0.000 2.346 116 D HA 0.086 4.727 4.640 0.001 0.000 0.206 116 D C 0.300 176.534 176.300 -0.110 0.000 1.001 116 D CA -0.164 53.616 54.000 -0.368 0.000 0.871 116 D CB -0.087 40.243 40.800 -0.783 0.000 0.943 116 D HN 0.417 nan 8.370 nan 0.000 0.518 117 F N 2.587 122.453 119.950 -0.140 0.000 2.628 117 F HA -0.039 4.488 4.527 0.000 0.000 0.362 117 F C 0.619 176.482 175.800 0.104 0.000 1.148 117 F CA 0.279 58.385 58.000 0.176 0.000 1.352 117 F CB 0.484 39.601 39.000 0.195 0.000 1.081 117 F HN -0.402 nan 8.300 nan 0.000 0.605 118 K N 6.681 126.747 120.400 -0.557 0.000 2.316 118 K HA 0.267 4.587 4.320 0.001 0.000 0.251 118 K C -2.159 174.142 176.600 -0.499 0.000 0.934 118 K CA -1.638 54.446 56.287 -0.338 0.000 0.802 118 K CB 1.691 34.060 32.500 -0.218 0.000 1.171 118 K HN 0.255 nan 8.250 nan 0.000 0.426 119 P HA -0.249 nan 4.420 nan 0.000 0.215 119 P C 0.645 177.940 177.300 -0.008 0.000 1.163 119 P CA 1.589 64.702 63.100 0.022 0.000 0.894 119 P CB 0.127 31.856 31.700 0.048 0.000 0.791 120 N N -1.807 116.854 118.700 -0.065 0.000 2.434 120 N HA -0.024 4.716 4.740 0.001 0.000 0.196 120 N C -0.335 175.114 175.510 -0.101 0.000 1.183 120 N CA 0.528 53.556 53.050 -0.036 0.000 0.849 120 N CB -1.064 37.406 38.487 -0.028 0.000 0.992 120 N HN 0.034 nan 8.380 nan 0.000 0.460 121 T N 1.869 116.263 114.554 -0.268 0.000 2.902 121 T HA 0.127 4.477 4.350 0.001 0.000 0.301 121 T C 0.552 175.074 174.700 -0.297 0.000 1.012 121 T CA 0.115 61.973 62.100 -0.402 0.000 1.151 121 T CB 0.695 69.034 68.868 -0.881 0.000 0.946 121 T HN 0.243 nan 8.240 nan 0.000 0.542 122 R N 1.335 121.663 120.500 -0.286 0.000 2.856 122 R HA 0.610 4.950 4.340 0.001 0.000 0.258 122 R C -1.008 175.046 176.300 -0.411 0.000 1.066 122 R CA -0.750 55.256 56.100 -0.158 0.000 1.045 122 R CB 1.118 31.523 30.300 0.173 0.000 1.178 122 R HN 0.466 nan 8.270 nan 0.000 0.499 123 F N 0.146 120.190 119.950 0.157 0.000 2.403 123 F HA 0.199 4.727 4.527 0.001 0.000 0.355 123 F C 1.404 177.281 175.800 0.128 0.000 1.119 123 F CA -0.654 57.418 58.000 0.120 0.000 1.007 123 F CB 1.835 40.892 39.000 0.096 0.000 1.194 123 F HN 0.643 nan 8.300 nan 0.000 0.443 124 T N -1.636 113.039 114.554 0.202 0.000 2.896 124 T HA 0.014 4.365 4.350 0.001 0.000 0.263 124 T C 0.389 175.179 174.700 0.151 0.000 1.050 124 T CA 0.703 62.896 62.100 0.155 0.000 1.140 124 T CB 0.199 69.128 68.868 0.102 0.000 0.877 124 T HN 0.575 nan 8.240 nan 0.000 0.457 125 E N -0.337 119.960 120.200 0.161 0.000 2.347 125 E HA 0.506 4.857 4.350 0.001 0.000 0.285 125 E C -1.974 174.702 176.600 0.127 0.000 0.925 125 E CA -0.702 55.772 56.400 0.122 0.000 0.779 125 E CB 1.785 31.529 29.700 0.074 0.000 1.233 125 E HN 0.367 nan 8.360 nan 0.000 0.414 126 I N 3.189 123.812 120.570 0.088 0.000 2.493 126 I HA 0.356 4.526 4.170 0.001 0.000 0.279 126 I C -0.782 175.350 176.117 0.025 0.000 1.045 126 I CA -0.373 60.959 61.300 0.053 0.000 1.106 126 I CB 1.670 39.666 38.000 -0.006 0.000 1.216 126 I HN 0.287 nan 8.210 nan 0.000 0.459 127 S N 4.832 120.548 115.700 0.027 0.000 2.595 127 S HA 0.536 5.007 4.470 0.001 0.000 0.281 127 S C -0.704 173.899 174.600 0.006 0.000 1.117 127 S CA -0.667 57.540 58.200 0.012 0.000 0.873 127 S CB 2.469 65.681 63.200 0.020 0.000 1.108 127 S HN 0.484 nan 8.310 nan 0.000 0.477 128 L N 2.481 123.699 121.223 -0.008 0.000 2.525 128 L HA 0.336 4.677 4.340 0.001 0.000 0.278 128 L C -0.584 176.281 176.870 -0.009 0.000 1.218 128 L CA -0.114 54.718 54.840 -0.013 0.000 0.878 128 L CB 0.114 42.157 42.059 -0.028 0.000 1.127 128 L HN 0.583 nan 8.230 nan 0.000 0.492 129 L N 8.706 129.927 121.223 -0.004 0.000 2.260 129 L HA 0.555 4.895 4.340 0.001 0.000 0.289 129 L C -2.259 174.608 176.870 -0.006 0.000 1.057 129 L CA -2.084 52.757 54.840 0.002 0.000 0.811 129 L CB 0.292 42.358 42.059 0.011 0.000 1.184 129 L HN 0.541 nan 8.230 nan 0.000 0.429 130 P HA 0.181 nan 4.420 nan 0.000 0.267 130 P C -2.529 174.778 177.300 0.012 0.000 1.209 130 P CA -0.764 62.335 63.100 -0.002 0.000 0.763 130 P CB -0.154 31.560 31.700 0.023 0.000 0.816 131 P HA 0.022 nan 4.420 nan 0.000 0.272 131 P C -0.153 177.159 177.300 0.021 0.000 1.254 131 P CA -0.014 63.084 63.100 -0.004 0.000 0.795 131 P CB 0.259 31.937 31.700 -0.037 0.000 1.022 132 D N 0.421 120.831 120.400 0.017 0.000 2.424 132 D HA -0.031 4.610 4.640 0.001 0.000 0.244 132 D C 0.923 177.205 176.300 -0.029 0.000 1.134 132 D CA -0.261 53.752 54.000 0.021 0.000 0.881 132 D CB 0.980 41.795 40.800 0.025 0.000 1.191 132 D HN 0.355 nan 8.370 nan 0.000 0.445 133 K N 2.248 122.583 120.400 -0.108 0.000 2.059 133 K HA -0.320 4.001 4.320 0.001 0.000 0.212 133 K C 1.809 178.216 176.600 -0.321 0.000 1.050 133 K CA 1.942 57.947 56.287 -0.469 0.000 0.927 133 K CB -0.048 31.981 32.500 -0.786 0.000 0.714 133 K HN 0.625 nan 8.250 nan 0.000 0.447 134 E N -0.354 119.768 120.200 -0.129 0.000 2.058 134 E HA -0.241 4.109 4.350 0.001 0.000 0.194 134 E C 1.845 178.483 176.600 0.063 0.000 0.997 134 E CA 1.282 57.684 56.400 0.004 0.000 0.801 134 E CB -0.218 29.489 29.700 0.010 0.000 0.746 134 E HN 0.485 nan 8.360 nan 0.000 0.450 135 A N 0.492 123.334 122.820 0.037 0.000 1.877 135 A HA -0.155 4.166 4.320 0.001 0.000 0.216 135 A C 2.440 180.081 177.584 0.095 0.000 1.186 135 A CA 1.587 53.662 52.037 0.064 0.000 0.620 135 A CB -0.805 18.216 19.000 0.035 0.000 0.822 135 A HN 0.235 nan 8.150 nan 0.000 0.443 136 V N -2.118 117.822 119.914 0.042 0.000 2.282 136 V HA -0.332 3.789 4.120 0.001 0.000 0.249 136 V C 2.252 178.448 176.094 0.170 0.000 1.057 136 V CA 2.023 64.339 62.300 0.028 0.000 1.032 136 V CB -1.040 30.798 31.823 0.026 0.000 0.645 136 V HN 0.788 nan 8.190 nan 0.000 0.447 137 W N -0.312 121.050 121.300 0.104 0.000 2.388 137 W HA -0.110 4.551 4.660 0.001 0.000 0.294 137 W C 2.579 179.155 176.519 0.095 0.000 1.212 137 W CA 0.824 58.236 57.345 0.112 0.000 1.271 137 W CB -0.200 29.276 29.460 0.026 0.000 1.126 137 W HN 0.216 nan 8.180 nan 0.000 0.535 138 A N -0.289 122.721 122.820 0.317 0.000 1.933 138 A HA -0.253 4.067 4.320 0.001 0.000 0.218 138 A C 1.651 179.343 177.584 0.180 0.000 1.175 138 A CA 1.562 53.712 52.037 0.188 0.000 0.628 138 A CB -1.206 17.867 19.000 0.121 0.000 0.814 138 A HN 0.412 nan 8.150 nan 0.000 0.444 139 F N 0.889 120.872 119.950 0.054 0.000 2.113 139 F HA -0.014 4.514 4.527 0.001 0.000 0.297 139 F C 2.503 178.322 175.800 0.031 0.000 1.103 139 F CA 1.338 59.334 58.000 -0.007 0.000 1.248 139 F CB -0.431 38.500 39.000 -0.116 0.000 0.999 139 F HN 0.234 nan 8.300 nan 0.000 0.475 140 A N 0.314 123.390 122.820 0.426 0.000 1.933 140 A HA -0.080 4.241 4.320 0.001 0.000 0.218 140 A C 2.162 179.898 177.584 0.253 0.000 1.175 140 A CA 1.920 54.195 52.037 0.397 0.000 0.628 140 A CB -0.937 18.393 19.000 0.550 0.000 0.814 140 A HN 0.515 nan 8.150 nan 0.000 0.444 141 L N -1.973 119.390 121.223 0.234 0.000 2.357 141 L HA 0.107 4.448 4.340 0.001 0.000 0.211 141 L C 1.667 178.556 176.870 0.032 0.000 1.075 141 L CA 0.708 55.620 54.840 0.121 0.000 0.830 141 L CB -0.082 42.026 42.059 0.082 0.000 0.996 141 L HN 0.335 nan 8.230 nan 0.000 0.467 142 E N -0.750 119.458 120.200 0.012 0.000 2.526 142 E HA 0.066 4.417 4.350 0.001 0.000 0.208 142 E C 0.015 176.558 176.600 -0.096 0.000 0.997 142 E CA -0.181 56.201 56.400 -0.029 0.000 0.961 142 E CB 0.364 30.059 29.700 -0.008 0.000 1.030 142 E HN 0.210 nan 8.360 nan 0.000 0.483 143 N N 2.091 120.674 118.700 -0.196 0.000 2.714 143 N HA -0.209 4.532 4.740 0.001 0.000 0.250 143 N C -0.499 174.834 175.510 -0.295 0.000 1.117 143 N CA 0.842 53.645 53.050 -0.410 0.000 0.719 143 N CB -0.638 37.672 38.487 -0.295 0.000 1.081 143 N HN 0.250 nan 8.380 nan 0.000 0.557 144 K N 1.166 121.489 120.400 -0.128 0.000 2.297 144 K HA 0.297 4.618 4.320 0.001 0.000 0.286 144 K C -2.352 174.306 176.600 0.097 0.000 1.053 144 K CA -1.227 55.053 56.287 -0.012 0.000 0.940 144 K CB 0.812 33.329 32.500 0.028 0.000 1.019 144 K HN -0.069 nan 8.250 nan 0.000 0.475 145 P HA -0.040 nan 4.420 nan 0.000 0.269 145 P C -0.989 176.398 177.300 0.146 0.000 1.215 145 P CA -0.407 62.806 63.100 0.188 0.000 0.780 145 P CB 0.605 32.371 31.700 0.109 0.000 0.898 146 V N 2.872 122.857 119.914 0.118 0.000 2.320 146 V HA 0.089 4.209 4.120 0.001 0.000 0.265 146 V C 0.515 176.625 176.094 0.027 0.000 1.048 146 V CA -0.136 62.191 62.300 0.045 0.000 0.865 146 V CB 0.295 32.100 31.823 -0.030 0.000 1.043 146 V HN 0.584 nan 8.190 nan 0.000 0.474 147 D N 3.064 123.482 120.400 0.030 0.000 2.676 147 D HA 0.037 4.677 4.640 0.001 0.000 0.239 147 D C 0.305 176.613 176.300 0.015 0.000 1.213 147 D CA -0.005 54.009 54.000 0.022 0.000 0.835 147 D CB 0.239 41.053 40.800 0.025 0.000 1.009 147 D HN 0.589 nan 8.370 nan 0.000 0.479 148 Q N 1.083 120.888 119.800 0.007 0.000 2.330 148 Q HA 0.354 4.694 4.340 0.001 0.000 0.269 148 Q C -2.575 173.424 176.000 -0.002 0.000 1.022 148 Q CA -2.407 53.398 55.803 0.005 0.000 0.796 148 Q CB 1.860 30.601 28.738 0.004 0.000 1.271 148 Q HN -0.059 nan 8.270 nan 0.000 0.450 149 P HA -0.090 nan 4.420 nan 0.000 0.263 149 P C -0.918 176.379 177.300 -0.005 0.000 1.168 149 P CA 0.347 63.448 63.100 0.001 0.000 0.759 149 P CB 0.388 32.093 31.700 0.007 0.000 0.782 150 R N 3.365 123.859 120.500 -0.010 0.000 2.351 150 R HA 0.189 4.529 4.340 0.001 0.000 0.318 150 R C 0.587 176.884 176.300 -0.006 0.000 1.055 150 R CA 0.289 56.379 56.100 -0.016 0.000 0.968 150 R CB 0.327 30.616 30.300 -0.019 0.000 0.974 150 R HN 0.513 nan 8.270 nan 0.000 0.439 151 K N 0.868 121.266 120.400 -0.004 0.000 2.306 151 K HA 0.716 5.037 4.320 0.001 0.000 0.236 151 K C -0.890 175.712 176.600 0.004 0.000 1.013 151 K CA -0.842 55.448 56.287 0.006 0.000 0.857 151 K CB 2.267 34.774 32.500 0.011 0.000 1.214 151 K HN 0.565 nan 8.250 nan 0.000 0.449 152 A N 1.339 124.167 122.820 0.013 0.000 2.422 152 A HA 0.359 4.679 4.320 0.001 0.000 0.302 152 A C -1.497 176.104 177.584 0.028 0.000 1.041 152 A CA -0.787 51.258 52.037 0.015 0.000 0.708 152 A CB 1.067 20.071 19.000 0.008 0.000 1.257 152 A HN 0.619 nan 8.150 nan 0.000 0.414 153 D N 1.405 121.824 120.400 0.031 0.000 2.249 153 D HA 0.450 5.091 4.640 0.001 0.000 0.246 153 D C -0.782 175.551 176.300 0.056 0.000 1.114 153 D CA 0.295 54.320 54.000 0.042 0.000 0.854 153 D CB 1.833 42.659 40.800 0.043 0.000 1.132 153 D HN 0.163 nan 8.370 nan 0.000 0.461 154 V N 4.855 124.808 119.914 0.066 0.000 2.380 154 V HA 0.320 4.440 4.120 0.001 0.000 0.286 154 V C 0.284 176.427 176.094 0.082 0.000 1.015 154 V CA -0.689 61.679 62.300 0.113 0.000 0.834 154 V CB 1.302 33.214 31.823 0.148 0.000 1.009 154 V HN 0.374 nan 8.190 nan 0.000 0.428 155 I N 5.753 126.389 120.570 0.110 0.000 2.321 155 I HA 0.480 4.650 4.170 0.001 0.000 0.291 155 I C -0.096 176.050 176.117 0.050 0.000 0.998 155 I CA -0.107 61.234 61.300 0.068 0.000 1.227 155 I CB 1.409 39.478 38.000 0.115 0.000 1.368 155 I HN 0.446 nan 8.210 nan 0.000 0.466 156 M N 6.303 125.854 119.600 -0.081 0.000 2.578 156 M HA 0.459 4.940 4.480 0.001 0.000 0.321 156 M C -1.128 175.068 176.300 -0.172 0.000 1.182 156 M CA -0.933 54.253 55.300 -0.190 0.000 0.965 156 M CB 2.737 35.153 32.600 -0.307 0.000 1.694 156 M HN 0.327 nan 8.290 nan 0.000 0.461 157 L N 2.600 123.712 121.223 -0.184 0.000 2.316 157 L HA 0.407 4.747 4.340 0.001 0.000 0.280 157 L C -1.146 175.628 176.870 -0.159 0.000 1.006 157 L CA -0.124 54.636 54.840 -0.134 0.000 0.836 157 L CB 1.016 43.027 42.059 -0.081 0.000 1.221 157 L HN 0.540 nan 8.230 nan 0.000 0.418 158 D N 4.361 124.686 120.400 -0.124 0.000 2.485 158 D HA 0.546 5.187 4.640 0.001 0.000 0.221 158 D C 1.009 177.275 176.300 -0.057 0.000 1.112 158 D CA 0.796 54.736 54.000 -0.100 0.000 0.911 158 D CB 0.596 41.367 40.800 -0.049 0.000 1.019 158 D HN 0.841 nan 8.370 nan 0.000 0.516 159 G N 5.038 113.785 108.800 -0.088 0.000 3.879 159 G HA2 -0.391 3.570 3.960 0.001 0.000 0.318 159 G HA3 -0.391 3.570 3.960 0.001 0.000 0.318 159 G C 0.898 175.701 174.900 -0.162 0.000 1.344 159 G CA 0.904 45.944 45.100 -0.101 0.000 1.024 159 G HN 0.658 nan 8.290 nan 0.000 0.681 160 K N 0.644 120.858 120.400 -0.309 0.000 2.481 160 K HA 0.268 4.588 4.320 0.001 0.000 0.210 160 K C 0.173 176.527 176.600 -0.409 0.000 1.161 160 K CA -0.078 56.007 56.287 -0.336 0.000 1.023 160 K CB 0.361 32.660 32.500 -0.334 0.000 0.971 160 K HN 0.615 nan 8.250 nan 0.000 0.577 161 H N 1.673 120.674 119.070 -0.114 0.000 2.502 161 H HA 0.257 4.814 4.556 0.001 0.000 0.327 161 H C -0.128 175.097 175.328 -0.172 0.000 1.099 161 H CA -0.553 55.405 56.048 -0.149 0.000 1.323 161 H CB 1.354 31.046 29.762 -0.117 0.000 1.450 161 H HN 0.016 nan 8.280 nan 0.000 0.502 162 I N 4.406 124.910 120.570 -0.111 0.000 2.385 162 I HA 0.218 4.388 4.170 0.001 0.000 0.294 162 I C 0.449 176.452 176.117 -0.189 0.000 0.988 162 I CA -0.316 60.870 61.300 -0.190 0.000 1.265 162 I CB 0.827 38.603 38.000 -0.374 0.000 1.388 162 I HN 0.436 nan 8.210 nan 0.000 0.480 163 I N 5.545 125.986 120.570 -0.215 0.000 2.582 163 I HA 0.287 4.457 4.170 0.001 0.000 0.292 163 I C -0.160 175.777 176.117 -0.301 0.000 1.066 163 I CA -0.490 60.622 61.300 -0.313 0.000 1.053 163 I CB 2.317 40.005 38.000 -0.519 0.000 1.241 163 I HN 0.458 nan 8.210 nan 0.000 0.421 164 E N 4.503 124.552 120.200 -0.251 0.000 2.151 164 E HA 0.760 5.111 4.350 0.001 0.000 0.275 164 E C -0.980 175.499 176.600 -0.202 0.000 0.936 164 E CA -0.686 55.628 56.400 -0.143 0.000 0.777 164 E CB 2.037 31.725 29.700 -0.019 0.000 1.108 164 E HN 0.646 nan 8.360 nan 0.000 0.401 165 A N 2.645 125.377 122.820 -0.148 0.000 2.401 165 A HA 0.676 4.997 4.320 0.001 0.000 0.310 165 A C -1.114 176.486 177.584 0.026 0.000 1.075 165 A CA -0.609 51.388 52.037 -0.068 0.000 0.746 165 A CB 1.544 20.511 19.000 -0.056 0.000 1.277 165 A HN 0.380 nan 8.150 nan 0.000 0.425 166 V N 1.998 121.951 119.914 0.065 0.000 2.531 166 V HA 0.602 4.723 4.120 0.001 0.000 0.301 166 V C -0.253 175.888 176.094 0.077 0.000 1.034 166 V CA -0.514 61.823 62.300 0.061 0.000 0.865 166 V CB 1.527 33.382 31.823 0.053 0.000 0.995 166 V HN 1.133 nan 8.190 nan 0.000 0.424 167 V N 0.576 120.528 119.914 0.064 0.000 2.628 167 V HA 0.657 4.778 4.120 0.001 0.000 0.306 167 V C -0.415 175.702 176.094 0.038 0.000 1.045 167 V CA -0.615 61.721 62.300 0.060 0.000 0.905 167 V CB 2.026 33.883 31.823 0.056 0.000 0.997 167 V HN 0.805 nan 8.190 nan 0.000 0.436 168 D N 3.550 123.971 120.400 0.035 0.000 2.441 168 D HA 0.312 4.952 4.640 0.001 0.000 0.221 168 D C 0.958 177.267 176.300 0.016 0.000 1.156 168 D CA -0.081 53.933 54.000 0.023 0.000 0.896 168 D CB 1.280 42.094 40.800 0.024 0.000 1.028 168 D HN 0.671 nan 8.370 nan 0.000 0.509 169 L N 2.771 124.000 121.223 0.009 0.000 2.083 169 L HA -0.171 4.170 4.340 0.001 0.000 0.209 169 L C 2.531 179.401 176.870 0.001 0.000 1.083 169 L CA 0.903 55.744 54.840 0.002 0.000 0.752 169 L CB -0.243 41.814 42.059 -0.004 0.000 0.899 169 L HN 0.490 nan 8.230 nan 0.000 0.433 170 Q N 0.290 120.091 119.800 0.002 0.000 2.084 170 Q HA -0.186 4.155 4.340 0.001 0.000 0.202 170 Q C 1.391 177.394 176.000 0.005 0.000 0.978 170 Q CA 1.533 57.337 55.803 0.003 0.000 0.844 170 Q CB 0.170 28.910 28.738 0.003 0.000 0.898 170 Q HN 0.498 nan 8.270 nan 0.000 0.426 171 N N 0.679 119.383 118.700 0.008 0.000 2.236 171 N HA -0.021 4.720 4.740 0.001 0.000 0.196 171 N C -0.554 174.961 175.510 0.009 0.000 1.114 171 N CA 0.270 53.325 53.050 0.009 0.000 0.859 171 N CB 0.191 38.685 38.487 0.011 0.000 0.982 171 N HN 0.280 nan 8.380 nan 0.000 0.493 172 N N 1.609 120.314 118.700 0.008 0.000 2.667 172 N HA -0.235 4.505 4.740 0.001 0.000 0.263 172 N C -1.058 174.460 175.510 0.014 0.000 1.038 172 N CA 0.819 53.874 53.050 0.008 0.000 0.749 172 N CB -0.868 37.620 38.487 0.002 0.000 0.892 172 N HN 0.508 nan 8.380 nan 0.000 0.546 173 K N -0.574 119.839 120.400 0.022 0.000 2.551 173 K HA 0.525 4.845 4.320 0.001 0.000 0.269 173 K C -1.277 175.352 176.600 0.048 0.000 0.949 173 K CA -1.211 55.094 56.287 0.031 0.000 0.849 173 K CB 0.855 33.371 32.500 0.026 0.000 1.411 173 K HN 0.021 nan 8.250 nan 0.000 0.432 174 L N 3.391 124.653 121.223 0.065 0.000 2.360 174 L HA 0.211 4.552 4.340 0.001 0.000 0.276 174 L C 0.205 177.129 176.870 0.091 0.000 1.121 174 L CA 0.009 54.910 54.840 0.101 0.000 0.845 174 L CB 0.409 42.549 42.059 0.134 0.000 1.143 174 L HN 0.862 nan 8.230 nan 0.000 0.452 175 L N 2.816 124.097 121.223 0.095 0.000 2.316 175 L HA 0.264 4.604 4.340 0.001 0.000 0.207 175 L C 0.454 177.383 176.870 0.098 0.000 1.070 175 L CA 0.456 55.343 54.840 0.079 0.000 0.820 175 L CB -0.099 41.996 42.059 0.060 0.000 0.992 175 L HN 0.798 nan 8.230 nan 0.000 0.466 176 S N -2.157 113.622 115.700 0.131 0.000 2.550 176 S HA 0.403 4.874 4.470 0.001 0.000 0.270 176 S C -1.870 172.876 174.600 0.243 0.000 1.145 176 S CA -0.690 57.603 58.200 0.156 0.000 0.852 176 S CB 2.223 65.484 63.200 0.101 0.000 1.119 176 S HN 0.223 nan 8.310 nan 0.000 0.465 177 W N 2.758 124.081 121.300 0.038 0.000 2.604 177 W HA 0.393 5.053 4.660 0.001 0.000 0.302 177 W C -1.813 174.723 176.519 0.028 0.000 1.013 177 W CA -0.359 57.012 57.345 0.043 0.000 1.338 177 W CB 1.164 30.650 29.460 0.044 0.000 1.233 177 W HN 0.908 nan 8.180 nan 0.000 0.390 178 Q N 5.921 125.709 119.800 -0.020 0.000 2.339 178 Q HA 0.323 4.664 4.340 0.001 0.000 0.268 178 Q C -2.330 173.621 176.000 -0.081 0.000 1.027 178 Q CA -1.903 53.906 55.803 0.009 0.000 0.759 178 Q CB 2.480 31.230 28.738 0.021 0.000 1.244 178 Q HN 0.065 nan 8.270 nan 0.000 0.464 179 P HA 0.086 nan 4.420 nan 0.000 0.271 179 P C -0.755 176.498 177.300 -0.078 0.000 1.216 179 P CA -0.065 62.993 63.100 -0.070 0.000 0.776 179 P CB 0.649 32.343 31.700 -0.011 0.000 0.881 180 I N 2.758 123.251 120.570 -0.128 0.000 2.390 180 I HA 0.177 4.348 4.170 0.001 0.000 0.283 180 I C 0.831 176.848 176.117 -0.166 0.000 1.016 180 I CA -1.376 59.835 61.300 -0.149 0.000 1.151 180 I CB 0.631 38.483 38.000 -0.247 0.000 1.293 180 I HN 0.345 nan 8.210 nan 0.000 0.458 181 K N 5.324 125.659 120.400 -0.109 0.000 2.382 181 K HA 0.092 4.413 4.320 0.001 0.000 0.275 181 K C -0.029 176.496 176.600 -0.126 0.000 1.009 181 K CA 0.016 56.243 56.287 -0.100 0.000 0.970 181 K CB 1.121 33.582 32.500 -0.065 0.000 0.934 181 K HN 0.558 nan 8.250 nan 0.000 0.479 182 D N -1.322 118.990 120.400 -0.146 0.000 2.554 182 D HA -0.206 4.434 4.640 0.001 0.000 0.178 182 D C 0.099 176.222 176.300 -0.296 0.000 1.054 182 D CA 2.011 55.898 54.000 -0.188 0.000 1.052 182 D CB -1.237 39.503 40.800 -0.099 0.000 1.112 182 D HN 0.851 nan 8.370 nan 0.000 0.448 183 A N 1.119 123.752 122.820 -0.312 0.000 2.440 183 A HA 0.363 4.684 4.320 0.001 0.000 0.251 183 A C 0.256 177.575 177.584 -0.442 0.000 1.089 183 A CA 0.204 52.011 52.037 -0.384 0.000 0.779 183 A CB 0.428 18.993 19.000 -0.726 0.000 1.022 183 A HN 0.213 nan 8.150 nan 0.000 0.492 184 H N 0.615 119.585 119.070 -0.166 0.000 2.502 184 H HA 0.493 5.050 4.556 0.001 0.000 0.338 184 H C 0.760 176.032 175.328 -0.094 0.000 1.155 184 H CA 0.430 56.401 56.048 -0.129 0.000 1.237 184 H CB 1.806 31.514 29.762 -0.090 0.000 1.534 184 H HN 0.857 nan 8.280 nan 0.000 0.523 185 G N 1.389 110.214 108.800 0.040 0.000 2.451 185 G HA2 0.390 4.350 3.960 0.001 0.000 0.303 185 G HA3 0.390 4.350 3.960 0.001 0.000 0.303 185 G C 0.602 175.513 174.900 0.019 0.000 1.166 185 G CA -0.733 44.390 45.100 0.039 0.000 0.884 185 G HN 0.641 nan 8.290 nan 0.000 0.514 186 M N 0.231 119.837 119.600 0.010 0.000 2.113 186 M HA 0.399 4.880 4.480 0.001 0.000 0.288 186 M C -0.235 176.000 176.300 -0.109 0.000 1.225 186 M CA -0.301 54.961 55.300 -0.064 0.000 1.148 186 M CB 0.311 32.881 32.600 -0.050 0.000 1.388 186 M HN 0.113 nan 8.290 nan 0.000 0.469 187 V N 2.443 122.230 119.914 -0.213 0.000 2.521 187 V HA 0.226 4.347 4.120 0.001 0.000 0.286 187 V C 0.383 176.442 176.094 -0.058 0.000 1.034 187 V CA -0.150 62.025 62.300 -0.208 0.000 1.045 187 V CB 0.287 31.849 31.823 -0.435 0.000 0.974 187 V HN 0.619 nan 8.190 nan 0.000 0.480 188 L N 4.167 125.362 121.223 -0.046 0.000 2.334 188 L HA 0.375 4.715 4.340 0.001 0.000 0.270 188 L C 1.117 177.925 176.870 -0.103 0.000 1.018 188 L CA -0.786 53.996 54.840 -0.096 0.000 0.811 188 L CB 1.516 43.461 42.059 -0.191 0.000 1.271 188 L HN 0.519 nan 8.230 nan 0.000 0.443 189 L N 1.602 122.655 121.223 -0.283 0.000 2.051 189 L HA -0.262 4.078 4.340 0.001 0.000 0.214 189 L C 2.157 178.926 176.870 -0.170 0.000 1.076 189 L CA 2.253 56.956 54.840 -0.228 0.000 0.758 189 L CB -0.598 41.337 42.059 -0.206 0.000 0.890 189 L HN 0.885 nan 8.230 nan 0.000 0.433 190 D N -2.063 118.074 120.400 -0.438 0.000 2.310 190 D HA -0.216 4.424 4.640 0.001 0.000 0.212 190 D C 1.403 177.688 176.300 -0.026 0.000 0.965 190 D CA 1.103 55.015 54.000 -0.146 0.000 0.879 190 D CB -0.614 40.124 40.800 -0.102 0.000 0.921 190 D HN 0.422 nan 8.370 nan 0.000 0.510 191 D N 0.038 120.428 120.400 -0.018 0.000 2.178 191 D HA -0.114 4.527 4.640 0.001 0.000 0.201 191 D C 1.776 178.087 176.300 0.018 0.000 0.980 191 D CA 0.590 54.577 54.000 -0.021 0.000 0.842 191 D CB -0.412 40.346 40.800 -0.071 0.000 0.948 191 D HN 0.251 nan 8.370 nan 0.000 0.472 192 F N 1.608 121.523 119.950 -0.058 0.000 2.084 192 F HA -0.079 4.448 4.527 0.001 0.000 0.296 192 F C 2.583 178.360 175.800 -0.038 0.000 1.111 192 F CA 0.934 58.921 58.000 -0.021 0.000 1.224 192 F CB -0.884 38.128 39.000 0.020 0.000 0.991 192 F HN -0.089 nan 8.300 nan 0.000 0.471 193 A N -1.226 121.700 122.820 0.177 0.000 1.933 193 A HA -0.189 4.132 4.320 0.001 0.000 0.218 193 A C 2.381 179.975 177.584 0.018 0.000 1.175 193 A CA 1.908 53.991 52.037 0.076 0.000 0.628 193 A CB -1.178 17.860 19.000 0.064 0.000 0.814 193 A HN 0.340 nan 8.150 nan 0.000 0.444 194 S N -0.742 114.961 115.700 0.004 0.000 2.368 194 S HA -0.119 4.352 4.470 0.001 0.000 0.225 194 S C 1.916 176.473 174.600 -0.071 0.000 1.030 194 S CA 1.556 59.736 58.200 -0.033 0.000 0.999 194 S CB -0.446 62.731 63.200 -0.038 0.000 0.844 194 S HN 0.288 nan 8.310 nan 0.000 0.459 195 V N 1.663 121.523 119.914 -0.091 0.000 2.295 195 V HA -0.160 3.961 4.120 0.001 0.000 0.246 195 V C 2.718 178.718 176.094 -0.157 0.000 1.049 195 V CA 2.314 64.528 62.300 -0.142 0.000 1.024 195 V CB -0.839 30.878 31.823 -0.177 0.000 0.648 195 V HN 0.527 nan 8.190 nan 0.000 0.447 196 Q N 0.768 120.501 119.800 -0.111 0.000 2.084 196 Q HA -0.229 4.111 4.340 0.001 0.000 0.202 196 Q C 1.926 177.855 176.000 -0.119 0.000 0.978 196 Q CA 2.507 58.239 55.803 -0.117 0.000 0.844 196 Q CB -0.589 28.111 28.738 -0.062 0.000 0.898 196 Q HN 0.706 nan 8.270 nan 0.000 0.426 197 N N -0.678 117.972 118.700 -0.084 0.000 2.142 197 N HA -0.053 4.688 4.740 0.001 0.000 0.186 197 N C 1.518 176.972 175.510 -0.094 0.000 1.023 197 N CA 1.422 54.429 53.050 -0.072 0.000 0.852 197 N CB -0.131 38.330 38.487 -0.043 0.000 0.998 197 N HN 0.378 nan 8.380 nan 0.000 0.424 198 I N -0.305 120.196 120.570 -0.114 0.000 2.226 198 I HA -0.212 3.958 4.170 0.001 0.000 0.245 198 I C 1.593 177.601 176.117 -0.182 0.000 1.100 198 I CA 0.631 61.855 61.300 -0.126 0.000 1.374 198 I CB -0.160 37.763 38.000 -0.128 0.000 1.057 198 I HN 0.160 nan 8.210 nan 0.000 0.413 199 I N 0.983 121.385 120.570 -0.281 0.000 2.315 199 I HA -0.277 3.894 4.170 0.001 0.000 0.248 199 I C 2.027 177.971 176.117 -0.287 0.000 1.117 199 I CA 1.707 62.717 61.300 -0.483 0.000 1.404 199 I CB -0.743 36.811 38.000 -0.743 0.000 1.071 199 I HN 0.222 nan 8.210 nan 0.000 0.419 200 N N -0.002 118.595 118.700 -0.172 0.000 2.309 200 N HA -0.128 4.613 4.740 0.001 0.000 0.182 200 N C 1.139 176.623 175.510 -0.044 0.000 1.018 200 N CA 0.908 53.909 53.050 -0.081 0.000 0.876 200 N CB -0.227 38.222 38.487 -0.063 0.000 0.972 200 N HN 0.496 nan 8.380 nan 0.000 0.434 201 N N -0.270 118.397 118.700 -0.055 0.000 2.280 201 N HA 0.023 4.763 4.740 0.001 0.000 0.192 201 N C -0.363 175.136 175.510 -0.018 0.000 1.109 201 N CA -0.218 52.813 53.050 -0.031 0.000 0.855 201 N CB 0.482 38.947 38.487 -0.035 0.000 0.974 201 N HN -0.073 nan 8.380 nan 0.000 0.482 202 S N 1.470 117.159 115.700 -0.019 0.000 2.439 202 S HA 0.021 4.492 4.470 0.001 0.000 0.282 202 S C 1.297 175.940 174.600 0.071 0.000 1.170 202 S CA -0.725 57.490 58.200 0.024 0.000 1.054 202 S CB 0.548 63.767 63.200 0.031 0.000 0.956 202 S HN 0.215 nan 8.310 nan 0.000 0.490 203 E N 5.298 125.526 120.200 0.047 0.000 2.072 203 E HA -0.191 4.160 4.350 0.001 0.000 0.191 203 E C 1.180 177.810 176.600 0.050 0.000 0.985 203 E CA 1.346 57.770 56.400 0.041 0.000 0.801 203 E CB -0.544 29.169 29.700 0.021 0.000 0.750 203 E HN 0.862 nan 8.360 nan 0.000 0.452 204 E N 0.072 120.306 120.200 0.056 0.000 2.047 204 E HA -0.098 4.253 4.350 0.001 0.000 0.191 204 E C 1.961 178.597 176.600 0.059 0.000 0.987 204 E CA 0.960 57.386 56.400 0.043 0.000 0.799 204 E CB -0.392 29.330 29.700 0.037 0.000 0.752 204 E HN 0.206 nan 8.360 nan 0.000 0.449 205 F N 1.671 121.602 119.950 -0.033 0.000 2.161 205 F HA -0.218 4.310 4.527 0.001 0.000 0.300 205 F C 2.240 178.021 175.800 -0.031 0.000 1.089 205 F CA 1.406 59.384 58.000 -0.037 0.000 1.282 205 F CB -0.184 38.790 39.000 -0.044 0.000 1.010 205 F HN -0.049 nan 8.300 nan 0.000 0.485 206 A N -0.023 122.913 122.820 0.193 0.000 1.933 206 A HA -0.050 4.271 4.320 0.001 0.000 0.218 206 A C 2.351 179.932 177.584 -0.005 0.000 1.175 206 A CA 1.620 53.719 52.037 0.104 0.000 0.628 206 A CB -1.402 17.649 19.000 0.086 0.000 0.814 206 A HN 0.458 nan 8.150 nan 0.000 0.444 207 A N -0.336 122.472 122.820 -0.020 0.000 1.929 207 A HA 0.290 4.610 4.320 0.001 0.000 0.216 207 A C 2.441 179.969 177.584 -0.094 0.000 1.176 207 A CA 1.639 53.650 52.037 -0.044 0.000 0.628 207 A CB -0.821 18.163 19.000 -0.027 0.000 0.816 207 A HN 0.956 nan 8.150 nan 0.000 0.444 208 A N -0.617 122.106 122.820 -0.161 0.000 1.930 208 A HA 0.022 4.343 4.320 0.001 0.000 0.217 208 A C 2.188 179.619 177.584 -0.255 0.000 1.175 208 A CA 1.695 53.596 52.037 -0.228 0.000 0.627 208 A CB -0.766 18.032 19.000 -0.337 0.000 0.815 208 A HN 0.339 nan 8.150 nan 0.000 0.443 209 V N -0.048 119.686 119.914 -0.300 0.000 2.453 209 V HA -0.205 3.915 4.120 0.001 0.000 0.247 209 V C 2.514 178.547 176.094 -0.101 0.000 1.048 209 V CA 2.262 64.431 62.300 -0.217 0.000 1.049 209 V CB -0.464 31.259 31.823 -0.167 0.000 0.672 209 V HN 0.662 nan 8.190 nan 0.000 0.457 210 K N 0.916 121.272 120.400 -0.075 0.000 2.057 210 K HA -0.192 4.128 4.320 0.001 0.000 0.206 210 K C 2.147 178.722 176.600 -0.041 0.000 1.050 210 K CA 1.518 57.780 56.287 -0.041 0.000 0.935 210 K CB -0.117 32.365 32.500 -0.029 0.000 0.715 210 K HN 0.573 nan 8.250 nan 0.000 0.439 211 K N 0.100 120.468 120.400 -0.054 0.000 2.442 211 K HA -0.112 4.209 4.320 0.001 0.000 0.198 211 K C 0.969 177.543 176.600 -0.042 0.000 1.042 211 K CA 0.951 57.212 56.287 -0.044 0.000 0.958 211 K CB 0.023 32.494 32.500 -0.048 0.000 0.766 211 K HN 0.068 nan 8.250 nan 0.000 0.474 212 R N 0.444 120.912 120.500 -0.053 0.000 2.480 212 R HA 0.102 4.442 4.340 0.001 0.000 0.277 212 R C 0.335 176.624 176.300 -0.018 0.000 1.008 212 R CA 0.330 56.406 56.100 -0.040 0.000 1.090 212 R CB 0.480 30.743 30.300 -0.062 0.000 1.234 212 R HN 0.532 nan 8.270 nan 0.000 0.549 213 G N 1.143 109.935 108.800 -0.013 0.000 2.159 213 G HA2 -0.253 3.708 3.960 0.001 0.000 0.256 213 G HA3 -0.253 3.708 3.960 0.001 0.000 0.256 213 G C -0.074 174.828 174.900 0.003 0.000 0.977 213 G CA -0.224 44.876 45.100 -0.000 0.000 0.652 213 G HN 0.168 nan 8.290 nan 0.000 0.531 214 I N 2.280 122.848 120.570 -0.005 0.000 2.297 214 I HA 0.369 4.540 4.170 0.001 0.000 0.291 214 I C 1.782 177.900 176.117 0.002 0.000 1.033 214 I CA 0.131 61.433 61.300 0.003 0.000 1.253 214 I CB 0.989 38.992 38.000 0.005 0.000 1.396 214 I HN 0.264 nan 8.210 nan 0.000 0.476 215 T N 0.920 115.478 114.554 0.006 0.000 2.668 215 T HA -0.067 4.284 4.350 0.001 0.000 0.258 215 T C 0.815 175.520 174.700 0.008 0.000 1.051 215 T CA 0.603 62.705 62.100 0.005 0.000 1.155 215 T CB -0.112 68.759 68.868 0.005 0.000 0.864 215 T HN 0.504 nan 8.240 nan 0.000 0.413 216 D N 1.691 122.097 120.400 0.009 0.000 2.411 216 D HA 0.465 5.106 4.640 0.001 0.000 0.225 216 D C 1.128 177.440 176.300 0.019 0.000 1.156 216 D CA -0.056 53.950 54.000 0.011 0.000 0.874 216 D CB 1.172 41.976 40.800 0.008 0.000 1.034 216 D HN 0.378 nan 8.370 nan 0.000 0.502 217 A N 4.325 127.161 122.820 0.027 0.000 2.178 217 A HA -0.165 4.155 4.320 0.001 0.000 0.218 217 A C 1.816 179.423 177.584 0.038 0.000 1.157 217 A CA 0.983 53.048 52.037 0.047 0.000 0.689 217 A CB -0.024 19.015 19.000 0.065 0.000 0.787 217 A HN 0.411 nan 8.150 nan 0.000 0.465 218 K N 0.365 120.777 120.400 0.020 0.000 2.365 218 K HA -0.000 4.321 4.320 0.001 0.000 0.199 218 K C 1.159 177.759 176.600 0.001 0.000 1.045 218 K CA 0.960 57.251 56.287 0.007 0.000 0.962 218 K CB -0.006 32.496 32.500 0.003 0.000 0.759 218 K HN 0.513 nan 8.250 nan 0.000 0.469 219 K N 0.479 120.884 120.400 0.008 0.000 2.437 219 K HA 0.135 4.455 4.320 0.001 0.000 0.198 219 K C -0.445 176.159 176.600 0.006 0.000 1.024 219 K CA -0.060 56.228 56.287 0.003 0.000 1.148 219 K CB 0.567 33.070 32.500 0.005 0.000 0.860 219 K HN -0.137 nan 8.250 nan 0.000 0.515 220 V N 2.392 122.313 119.914 0.013 0.000 2.461 220 V HA 0.158 4.278 4.120 0.001 0.000 0.275 220 V C -0.028 176.037 176.094 -0.047 0.000 1.047 220 V CA -0.561 61.752 62.300 0.022 0.000 0.955 220 V CB 0.747 32.627 31.823 0.094 0.000 0.988 220 V HN 0.086 nan 8.190 nan 0.000 0.471 221 I N 5.115 125.630 120.570 -0.092 0.000 2.321 221 I HA 0.394 4.564 4.170 0.001 0.000 0.291 221 I C 0.772 176.777 176.117 -0.186 0.000 0.998 221 I CA 0.303 61.453 61.300 -0.249 0.000 1.227 221 I CB 1.886 39.510 38.000 -0.628 0.000 1.368 221 I HN 0.791 nan 8.210 nan 0.000 0.466 222 T N 1.014 115.465 114.554 -0.172 0.000 2.912 222 T HA 0.688 5.039 4.350 0.001 0.000 0.280 222 T C -0.072 174.576 174.700 -0.087 0.000 0.989 222 T CA -0.726 61.299 62.100 -0.125 0.000 0.995 222 T CB 1.728 70.498 68.868 -0.163 0.000 1.077 222 T HN 0.536 nan 8.240 nan 0.000 0.531 223 T N 2.356 116.890 114.554 -0.033 0.000 3.071 223 T HA 0.539 4.890 4.350 0.001 0.000 0.311 223 T C -3.112 171.561 174.700 -0.045 0.000 1.042 223 T CA -1.536 60.590 62.100 0.042 0.000 1.028 223 T CB 1.680 70.685 68.868 0.227 0.000 1.068 223 T HN 0.604 nan 8.240 nan 0.000 0.451 224 P HA 0.520 nan 4.420 nan 0.000 0.293 224 P C -1.182 176.079 177.300 -0.064 0.000 1.300 224 P CA -0.552 62.397 63.100 -0.251 0.000 0.792 224 P CB 0.977 32.331 31.700 -0.576 0.000 0.925 225 L N 2.475 123.671 121.223 -0.045 0.000 2.401 225 L HA 0.471 4.811 4.340 0.001 0.000 0.266 225 L C 0.973 177.817 176.870 -0.042 0.000 0.991 225 L CA -0.850 53.995 54.840 0.007 0.000 0.818 225 L CB 2.250 44.332 42.059 0.039 0.000 1.321 225 L HN 0.327 nan 8.230 nan 0.000 0.413 226 T N -1.653 112.878 114.554 -0.038 0.000 2.898 226 T HA 0.193 4.544 4.350 0.001 0.000 0.301 226 T C 1.048 175.745 174.700 -0.005 0.000 1.049 226 T CA -0.430 61.626 62.100 -0.074 0.000 1.095 226 T CB 1.491 70.313 68.868 -0.077 0.000 0.976 226 T HN 0.500 nan 8.240 nan 0.000 0.539 227 V N -0.833 119.041 119.914 -0.066 0.000 3.506 227 V HA 0.510 4.630 4.120 0.001 0.000 0.263 227 V C 1.372 177.534 176.094 0.113 0.000 1.203 227 V CA 0.599 62.873 62.300 -0.042 0.000 1.133 227 V CB -1.736 29.987 31.823 -0.168 0.000 0.802 227 V HN 1.655 nan 8.190 nan 0.000 0.459 228 G N 0.255 109.078 108.800 0.039 0.000 2.598 228 G HA2 -0.273 3.688 3.960 0.001 0.000 0.244 228 G HA3 -0.273 3.688 3.960 0.001 0.000 0.244 228 G C -0.731 174.162 174.900 -0.012 0.000 1.302 228 G CA 0.363 45.466 45.100 0.004 0.000 0.903 228 G HN 1.356 nan 8.290 nan 0.000 0.575 229 Y N -0.777 119.304 120.300 -0.366 0.000 2.421 229 Y HA 0.687 5.238 4.550 0.001 0.000 0.339 229 Y C -0.465 174.940 175.900 -0.825 0.000 0.996 229 Y CA -1.494 56.352 58.100 -0.424 0.000 1.046 229 Y CB 1.477 39.734 38.460 -0.340 0.000 1.226 229 Y HN 0.521 nan 8.280 nan 0.000 0.445 230 F N 3.705 122.977 119.950 -1.130 0.000 2.777 230 F HA 0.203 4.730 4.527 0.001 0.000 0.361 230 F C 0.361 175.429 175.800 -1.221 0.000 1.254 230 F CA -0.737 56.659 58.000 -1.007 0.000 1.181 230 F CB 0.283 39.092 39.000 -0.319 0.000 1.082 230 F HN 0.630 nan 8.300 nan 0.000 0.510 231 D N 1.108 120.306 120.400 -2.004 0.000 2.702 231 D HA -0.205 4.435 4.640 0.001 0.000 0.233 231 D C 1.508 177.564 176.300 -0.407 0.000 1.164 231 D CA 1.551 54.941 54.000 -1.016 0.000 0.638 231 D CB -0.786 39.751 40.800 -0.438 0.000 1.041 231 D HN 0.787 nan 8.370 nan 0.000 0.422 232 G N -0.358 108.217 108.800 -0.375 0.000 2.245 232 G HA2 -0.457 3.504 3.960 0.001 0.000 0.264 232 G HA3 -0.457 3.504 3.960 0.001 0.000 0.264 232 G C 1.184 176.020 174.900 -0.106 0.000 0.985 232 G CA 0.716 45.720 45.100 -0.160 0.000 0.625 232 G HN 0.544 nan 8.290 nan 0.000 0.536 233 K N 0.648 120.989 120.400 -0.097 0.000 2.360 233 K HA -0.080 4.240 4.320 0.001 0.000 0.201 233 K C 1.765 178.285 176.600 -0.133 0.000 1.046 233 K CA 1.448 57.686 56.287 -0.082 0.000 0.940 233 K CB -0.125 32.344 32.500 -0.051 0.000 0.748 233 K HN 0.706 nan 8.250 nan 0.000 0.465 234 D N -0.637 119.699 120.400 -0.107 0.000 2.339 234 D HA 0.014 4.655 4.640 0.001 0.000 0.217 234 D C 0.941 177.206 176.300 -0.059 0.000 1.050 234 D CA 0.485 54.433 54.000 -0.088 0.000 0.856 234 D CB -0.061 40.745 40.800 0.009 0.000 0.922 234 D HN 0.154 nan 8.370 nan 0.000 0.518 235 G N 0.555 109.316 108.800 -0.064 0.000 2.221 235 G HA2 -0.247 3.714 3.960 0.001 0.000 0.265 235 G HA3 -0.247 3.714 3.960 0.001 0.000 0.265 235 G C -0.218 174.651 174.900 -0.050 0.000 1.041 235 G CA 0.291 45.358 45.100 -0.054 0.000 0.807 235 G HN 0.418 nan 8.290 nan 0.000 0.502 236 L N -0.031 121.162 121.223 -0.051 0.000 2.333 236 L HA 0.417 4.757 4.340 0.001 0.000 0.280 236 L C 0.895 177.747 176.870 -0.030 0.000 1.004 236 L CA -1.102 53.709 54.840 -0.048 0.000 0.820 236 L CB 1.803 43.827 42.059 -0.059 0.000 1.247 236 L HN 0.286 nan 8.230 nan 0.000 0.416 237 K N 2.705 123.091 120.400 -0.024 0.000 2.436 237 K HA -0.074 4.247 4.320 0.001 0.000 0.282 237 K C 0.718 177.332 176.600 0.023 0.000 1.044 237 K CA -0.085 56.201 56.287 -0.001 0.000 1.028 237 K CB 1.028 33.525 32.500 -0.004 0.000 0.919 237 K HN 0.532 nan 8.250 nan 0.000 0.474 238 Q N 2.870 122.706 119.800 0.060 0.000 2.291 238 Q HA -0.207 4.134 4.340 0.001 0.000 0.206 238 Q C 1.191 177.290 176.000 0.165 0.000 0.976 238 Q CA 2.014 57.889 55.803 0.120 0.000 0.875 238 Q CB -0.013 28.811 28.738 0.142 0.000 0.927 238 Q HN 0.854 nan 8.270 nan 0.000 0.450 239 D N -0.847 119.613 120.400 0.101 0.000 2.249 239 D HA 0.016 4.656 4.640 0.001 0.000 0.205 239 D C -0.069 176.299 176.300 0.114 0.000 0.962 239 D CA 0.620 54.673 54.000 0.088 0.000 0.860 239 D CB 0.028 40.849 40.800 0.035 0.000 0.955 239 D HN 0.256 nan 8.370 nan 0.000 0.505 240 A N 0.934 123.795 122.820 0.069 0.000 2.386 240 A HA 0.242 4.563 4.320 0.001 0.000 0.248 240 A C 0.483 178.082 177.584 0.026 0.000 1.082 240 A CA -0.314 51.737 52.037 0.023 0.000 0.789 240 A CB 0.287 19.273 19.000 -0.025 0.000 1.025 240 A HN 0.246 nan 8.150 nan 0.000 0.490 241 R N 2.246 122.734 120.500 -0.020 0.000 2.235 241 R HA 0.507 4.847 4.340 0.001 0.000 0.338 241 R C -1.273 174.949 176.300 -0.130 0.000 1.087 241 R CA -0.077 55.983 56.100 -0.066 0.000 0.948 241 R CB -0.239 30.034 30.300 -0.044 0.000 1.099 241 R HN 0.693 nan 8.270 nan 0.000 0.483 242 L N 4.707 125.815 121.223 -0.192 0.000 2.301 242 L HA 0.667 5.008 4.340 0.001 0.000 0.264 242 L C -0.620 176.129 176.870 -0.202 0.000 1.016 242 L CA -1.248 53.484 54.840 -0.180 0.000 0.821 242 L CB 1.993 43.949 42.059 -0.172 0.000 1.346 242 L HN 0.459 nan 8.230 nan 0.000 0.429 243 L N 0.857 121.963 121.223 -0.196 0.000 2.472 243 L HA 0.489 4.829 4.340 0.001 0.000 0.260 243 L C -0.804 175.933 176.870 -0.222 0.000 0.963 243 L CA -0.699 54.018 54.840 -0.205 0.000 0.829 243 L CB 2.782 44.718 42.059 -0.205 0.000 1.348 243 L HN 0.527 nan 8.230 nan 0.000 0.408 244 K N 1.096 121.347 120.400 -0.249 0.000 2.095 244 K HA 0.735 5.056 4.320 0.001 0.000 0.252 244 K C -1.216 175.277 176.600 -0.177 0.000 0.977 244 K CA -0.679 55.425 56.287 -0.305 0.000 0.900 244 K CB 2.269 34.384 32.500 -0.642 0.000 1.060 244 K HN 0.225 nan 8.250 nan 0.000 0.449 245 V N 3.758 123.585 119.914 -0.145 0.000 2.531 245 V HA 0.345 4.466 4.120 0.001 0.000 0.301 245 V C -0.590 175.469 176.094 -0.058 0.000 1.034 245 V CA -0.942 61.295 62.300 -0.104 0.000 0.865 245 V CB 1.530 33.266 31.823 -0.146 0.000 0.995 245 V HN 0.595 nan 8.190 nan 0.000 0.424 246 I N 3.349 123.880 120.570 -0.065 0.000 2.377 246 I HA 0.540 4.710 4.170 0.001 0.000 0.293 246 I C 0.376 176.369 176.117 -0.207 0.000 0.987 246 I CA 0.179 61.393 61.300 -0.143 0.000 1.185 246 I CB 1.922 39.808 38.000 -0.191 0.000 1.341 246 I HN 0.605 nan 8.210 nan 0.000 0.455 247 S N 5.880 121.421 115.700 -0.265 0.000 2.578 247 S HA 0.780 5.251 4.470 0.001 0.000 0.301 247 S C -1.025 173.292 174.600 -0.471 0.000 1.091 247 S CA -0.477 57.585 58.200 -0.230 0.000 1.032 247 S CB 1.823 65.056 63.200 0.054 0.000 1.064 247 S HN 0.369 nan 8.310 nan 0.000 0.508 248 Y N 0.144 120.448 120.300 0.007 0.000 2.609 248 Y HA 0.641 5.192 4.550 0.001 0.000 0.342 248 Y C -0.689 175.251 175.900 0.066 0.000 1.058 248 Y CA -1.192 56.957 58.100 0.081 0.000 1.055 248 Y CB 0.959 39.505 38.460 0.143 0.000 1.292 248 Y HN 0.455 nan 8.280 nan 0.000 0.476 249 L N 2.173 123.580 121.223 0.306 0.000 2.295 249 L HA 0.434 4.774 4.340 0.001 0.000 0.285 249 L C -0.689 176.274 176.870 0.156 0.000 1.035 249 L CA -0.459 54.484 54.840 0.171 0.000 0.806 249 L CB 0.967 43.098 42.059 0.121 0.000 1.214 249 L HN 0.598 nan 8.230 nan 0.000 0.426 250 D N 3.652 124.096 120.400 0.075 0.000 2.316 250 D HA 0.122 4.763 4.640 0.001 0.000 0.245 250 D C 0.187 176.472 176.300 -0.025 0.000 1.171 250 D CA 0.095 54.132 54.000 0.063 0.000 0.856 250 D CB 1.415 42.234 40.800 0.032 0.000 1.090 250 D HN 0.388 nan 8.370 nan 0.000 0.476 251 V N 3.219 123.070 119.914 -0.105 0.000 3.483 251 V HA 0.228 4.348 4.120 0.001 0.000 0.301 251 V C 1.635 177.681 176.094 -0.080 0.000 1.389 251 V CA 0.514 62.713 62.300 -0.169 0.000 1.101 251 V CB 0.114 31.670 31.823 -0.444 0.000 0.971 251 V HN 0.913 nan 8.190 nan 0.000 0.434 252 G N 2.150 110.932 108.800 -0.030 0.000 2.143 252 G HA2 -0.252 3.708 3.960 0.001 0.000 0.249 252 G HA3 -0.252 3.708 3.960 0.001 0.000 0.249 252 G C 0.332 175.220 174.900 -0.020 0.000 0.981 252 G CA 0.492 45.582 45.100 -0.016 0.000 0.665 252 G HN 0.706 nan 8.290 nan 0.000 0.528 253 D N -0.500 119.895 120.400 -0.009 0.000 2.368 253 D HA 0.401 5.041 4.640 0.001 0.000 0.218 253 D C 1.733 177.973 176.300 -0.100 0.000 1.112 253 D CA 0.303 54.285 54.000 -0.030 0.000 0.834 253 D CB -0.483 40.339 40.800 0.036 0.000 0.953 253 D HN 1.472 nan 8.370 nan 0.000 0.505 254 G N 0.864 109.623 108.800 -0.069 0.000 2.166 254 G HA2 -0.344 3.616 3.960 0.001 0.000 0.260 254 G HA3 -0.344 3.616 3.960 0.001 0.000 0.260 254 G C 0.173 174.998 174.900 -0.125 0.000 0.986 254 G CA 0.293 45.322 45.100 -0.119 0.000 0.683 254 G HN 0.605 nan 8.290 nan 0.000 0.527 255 N N -0.254 118.443 118.700 -0.005 0.000 2.750 255 N HA 0.374 5.115 4.740 0.001 0.000 0.253 255 N C 0.963 176.544 175.510 0.117 0.000 1.408 255 N CA -0.506 52.591 53.050 0.078 0.000 0.780 255 N CB -0.061 38.488 38.487 0.103 0.000 1.191 255 N HN 0.340 nan 8.380 nan 0.000 0.511 256 Y N -0.489 119.863 120.300 0.087 0.000 2.403 256 Y HA 0.057 4.608 4.550 0.001 0.000 0.291 256 Y C 1.122 176.952 175.900 -0.118 0.000 1.143 256 Y CA 0.444 58.575 58.100 0.052 0.000 1.257 256 Y CB -0.691 37.689 38.460 -0.134 0.000 0.984 256 Y HN 0.311 nan 8.280 nan 0.000 0.550 257 W N 1.134 122.160 121.300 -0.457 0.000 2.387 257 W HA -0.017 4.644 4.660 0.001 0.000 0.272 257 W C 2.242 178.767 176.519 0.009 0.000 1.224 257 W CA 1.284 58.337 57.345 -0.487 0.000 1.210 257 W CB -0.173 29.051 29.460 -0.394 0.000 1.125 257 W HN 0.189 nan 8.180 nan 0.000 0.572 258 A N -0.865 122.057 122.820 0.170 0.000 2.278 258 A HA 0.043 4.363 4.320 0.001 0.000 0.212 258 A C 0.160 177.492 177.584 -0.420 0.000 1.213 258 A CA 0.410 52.486 52.037 0.066 0.000 0.840 258 A CB -0.610 18.294 19.000 -0.160 0.000 0.866 258 A HN 0.331 nan 8.150 nan 0.000 0.489 259 H N 0.338 119.662 119.070 0.424 0.000 2.439 259 H HA 0.220 4.776 4.556 0.001 0.000 0.228 259 H C -3.030 172.556 175.328 0.431 0.000 1.423 259 H CA -1.896 54.368 56.048 0.360 0.000 1.386 259 H CB 0.128 30.049 29.762 0.265 0.000 1.641 259 H HN 0.284 nan 8.280 nan 0.000 0.508 260 P HA 0.115 nan 4.420 nan 0.000 0.271 260 P C 0.397 177.762 177.300 0.109 0.000 1.218 260 P CA -0.064 63.201 63.100 0.275 0.000 0.780 260 P CB 1.579 33.434 31.700 0.258 0.000 0.901 261 I N 1.605 122.146 120.570 -0.047 0.000 2.442 261 I HA 0.207 4.377 4.170 0.001 0.000 0.279 261 I C 0.844 176.937 176.117 -0.040 0.000 1.081 261 I CA -0.742 60.549 61.300 -0.015 0.000 1.197 261 I CB 0.482 38.460 38.000 -0.037 0.000 1.394 261 I HN 0.249 nan 8.210 nan 0.000 0.488 262 E N 4.494 124.708 120.200 0.024 0.000 2.415 262 E HA 0.040 4.391 4.350 0.001 0.000 0.262 262 E C 0.350 176.975 176.600 0.042 0.000 1.038 262 E CA 0.734 57.172 56.400 0.062 0.000 0.921 262 E CB 0.241 30.014 29.700 0.121 0.000 0.950 262 E HN 0.533 nan 8.360 nan 0.000 0.438 263 N N 0.404 119.146 118.700 0.071 0.000 2.776 263 N HA -0.257 4.483 4.740 0.001 0.000 0.250 263 N C -1.174 174.338 175.510 0.002 0.000 1.112 263 N CA 0.256 53.339 53.050 0.055 0.000 0.733 263 N CB -0.894 37.624 38.487 0.052 0.000 1.097 263 N HN 0.189 nan 8.380 nan 0.000 0.558 264 L N 0.730 121.937 121.223 -0.027 0.000 2.406 264 L HA 0.623 4.964 4.340 0.001 0.000 0.270 264 L C -1.175 175.677 176.870 -0.030 0.000 0.982 264 L CA -0.787 54.012 54.840 -0.068 0.000 0.843 264 L CB 1.959 43.931 42.059 -0.145 0.000 1.225 264 L HN -0.137 nan 8.230 nan 0.000 0.412 265 V N 4.338 124.245 119.914 -0.010 0.000 2.577 265 V HA 0.903 5.024 4.120 0.001 0.000 0.303 265 V C -0.007 176.093 176.094 0.011 0.000 1.042 265 V CA -0.348 61.947 62.300 -0.007 0.000 0.872 265 V CB 1.509 33.304 31.823 -0.046 0.000 0.998 265 V HN 0.925 nan 8.190 nan 0.000 0.423 266 A N 4.192 127.038 122.820 0.043 0.000 2.340 266 A HA 0.906 5.226 4.320 0.001 0.000 0.331 266 A C -0.764 176.766 177.584 -0.090 0.000 1.140 266 A CA -0.616 51.443 52.037 0.037 0.000 0.801 266 A CB 1.691 20.758 19.000 0.111 0.000 1.234 266 A HN 0.712 nan 8.150 nan 0.000 0.469 267 V N 2.603 122.456 119.914 -0.103 0.000 2.384 267 V HA 0.418 4.538 4.120 0.001 0.000 0.287 267 V C -0.311 175.708 176.094 -0.125 0.000 1.020 267 V CA -0.438 61.772 62.300 -0.149 0.000 0.850 267 V CB 1.187 32.921 31.823 -0.148 0.000 0.987 267 V HN 0.624 nan 8.190 nan 0.000 0.436 268 V N 3.737 123.565 119.914 -0.144 0.000 2.513 268 V HA 0.412 4.532 4.120 0.001 0.000 0.299 268 V C -0.188 175.833 176.094 -0.122 0.000 1.035 268 V CA -0.586 61.637 62.300 -0.129 0.000 0.889 268 V CB 2.018 33.753 31.823 -0.146 0.000 0.988 268 V HN 0.867 nan 8.190 nan 0.000 0.440 269 D N 3.675 124.015 120.400 -0.100 0.000 2.317 269 D HA 0.297 4.937 4.640 0.001 0.000 0.234 269 D C 0.834 177.082 176.300 -0.088 0.000 1.112 269 D CA -0.204 53.742 54.000 -0.090 0.000 0.840 269 D CB 1.721 42.478 40.800 -0.070 0.000 1.078 269 D HN 0.419 nan 8.370 nan 0.000 0.486 270 L N 2.945 124.112 121.223 -0.094 0.000 2.109 270 L HA -0.060 4.280 4.340 0.001 0.000 0.207 270 L C 2.195 179.021 176.870 -0.072 0.000 1.086 270 L CA 0.712 55.500 54.840 -0.088 0.000 0.760 270 L CB -0.045 41.956 42.059 -0.097 0.000 0.910 270 L HN 0.467 nan 8.230 nan 0.000 0.437 271 E N -0.168 119.989 120.200 -0.072 0.000 2.107 271 E HA -0.246 4.105 4.350 0.001 0.000 0.191 271 E C 2.060 178.631 176.600 -0.049 0.000 0.982 271 E CA 0.784 57.147 56.400 -0.062 0.000 0.809 271 E CB 0.064 29.722 29.700 -0.071 0.000 0.756 271 E HN 0.445 nan 8.360 nan 0.000 0.459 272 Q N 0.852 120.622 119.800 -0.050 0.000 2.435 272 Q HA -0.086 4.255 4.340 0.001 0.000 0.207 272 Q C -0.200 175.774 176.000 -0.043 0.000 0.956 272 Q CA 0.415 56.193 55.803 -0.042 0.000 0.917 272 Q CB 0.198 28.911 28.738 -0.041 0.000 0.997 272 Q HN 0.004 nan 8.270 nan 0.000 0.497 273 K N 0.705 121.074 120.400 -0.052 0.000 3.077 273 K HA -0.226 4.094 4.320 0.001 0.000 0.264 273 K C -0.580 175.987 176.600 -0.056 0.000 1.008 273 K CA 1.200 57.456 56.287 -0.053 0.000 0.740 273 K CB -1.458 31.017 32.500 -0.041 0.000 1.273 273 K HN 0.371 nan 8.250 nan 0.000 0.477 274 K N -0.267 120.096 120.400 -0.062 0.000 2.556 274 K HA 0.429 4.750 4.320 0.001 0.000 0.274 274 K C -0.917 175.643 176.600 -0.068 0.000 0.966 274 K CA -0.943 55.308 56.287 -0.059 0.000 0.865 274 K CB 1.373 33.847 32.500 -0.043 0.000 1.444 274 K HN 0.058 nan 8.250 nan 0.000 0.433 275 I N 4.015 124.548 120.570 -0.062 0.000 2.421 275 I HA 0.020 4.190 4.170 0.001 0.000 0.291 275 I C 1.114 177.206 176.117 -0.042 0.000 1.089 275 I CA -0.360 60.906 61.300 -0.057 0.000 1.354 275 I CB 1.293 39.275 38.000 -0.029 0.000 1.413 275 I HN 0.571 nan 8.210 nan 0.000 0.513 276 V N 2.859 122.742 119.914 -0.052 0.000 3.647 276 V HA 0.278 4.399 4.120 0.001 0.000 0.279 276 V C 0.486 176.555 176.094 -0.041 0.000 1.314 276 V CA 0.302 62.575 62.300 -0.045 0.000 1.125 276 V CB -0.668 31.123 31.823 -0.052 0.000 0.907 276 V HN 0.793 nan 8.190 nan 0.000 0.434 277 K N 0.394 120.770 120.400 -0.040 0.000 2.589 277 K HA 0.553 4.874 4.320 0.001 0.000 0.265 277 K C -2.172 174.415 176.600 -0.022 0.000 0.935 277 K CA -0.722 55.544 56.287 -0.036 0.000 0.850 277 K CB 2.440 34.908 32.500 -0.053 0.000 1.372 277 K HN 0.194 nan 8.250 nan 0.000 0.420 278 I N 3.591 124.154 120.570 -0.012 0.000 2.468 278 I HA 0.243 4.414 4.170 0.001 0.000 0.285 278 I C -0.569 175.536 176.117 -0.020 0.000 1.039 278 I CA -0.726 60.576 61.300 0.003 0.000 1.074 278 I CB 1.955 39.965 38.000 0.017 0.000 1.228 278 I HN 0.517 nan 8.210 nan 0.000 0.436 279 E N 6.535 126.721 120.200 -0.023 0.000 2.174 279 E HA 0.410 4.761 4.350 0.001 0.000 0.282 279 E C -0.876 175.713 176.600 -0.019 0.000 0.992 279 E CA -0.520 55.871 56.400 -0.016 0.000 0.803 279 E CB 1.780 31.479 29.700 -0.000 0.000 1.090 279 E HN 0.520 nan 8.360 nan 0.000 0.396 280 E N 1.528 121.716 120.200 -0.019 0.000 2.210 280 E HA 0.490 4.841 4.350 0.001 0.000 0.266 280 E C -0.337 176.258 176.600 -0.007 0.000 0.883 280 E CA -0.701 55.682 56.400 -0.029 0.000 0.761 280 E CB 2.161 31.832 29.700 -0.049 0.000 1.156 280 E HN 0.569 nan 8.360 nan 0.000 0.412 281 G N 2.338 111.140 108.800 0.003 0.000 3.107 281 G HA2 0.549 4.510 3.960 0.001 0.000 0.232 281 G HA3 0.549 4.510 3.960 0.001 0.000 0.232 281 G C -2.611 172.295 174.900 0.011 0.000 1.339 281 G CA -1.432 43.679 45.100 0.019 0.000 1.033 281 G HN 0.252 nan 8.290 nan 0.000 0.567 282 P HA 0.237 nan 4.420 nan 0.000 0.267 282 P C -0.261 177.047 177.300 0.012 0.000 1.200 282 P CA -0.353 62.755 63.100 0.014 0.000 0.772 282 P CB 0.894 32.606 31.700 0.021 0.000 0.855 283 V N 4.028 123.945 119.914 0.004 0.000 2.508 283 V HA 0.110 4.230 4.120 0.001 0.000 0.281 283 V C 0.321 176.424 176.094 0.015 0.000 1.041 283 V CA 0.094 62.395 62.300 0.002 0.000 1.016 283 V CB 1.004 32.824 31.823 -0.006 0.000 0.984 283 V HN 0.223 nan 8.190 nan 0.000 0.478 284 V N 7.392 127.320 119.914 0.023 0.000 2.407 284 V HA 0.348 4.468 4.120 0.001 0.000 0.291 284 V C -2.277 173.842 176.094 0.042 0.000 1.018 284 V CA -1.965 60.356 62.300 0.036 0.000 0.842 284 V CB 1.754 33.607 31.823 0.050 0.000 0.996 284 V HN 0.765 nan 8.190 nan 0.000 0.426 285 P HA 0.025 nan 4.420 nan 0.000 0.261 285 P C -0.195 177.151 177.300 0.077 0.000 1.183 285 P CA 0.152 63.283 63.100 0.051 0.000 0.761 285 P CB 0.277 32.005 31.700 0.047 0.000 0.785 286 V N 7.257 127.224 119.914 0.087 0.000 2.540 286 V HA 0.022 4.143 4.120 0.001 0.000 0.297 286 V C -1.770 174.426 176.094 0.170 0.000 1.024 286 V CA -0.967 61.413 62.300 0.133 0.000 1.105 286 V CB -0.129 31.776 31.823 0.137 0.000 0.938 286 V HN 0.562 nan 8.190 nan 0.000 0.482 287 P HA 0.149 nan 4.420 nan 0.000 0.265 287 P C 0.419 177.949 177.300 0.382 0.000 1.222 287 P CA 0.083 63.331 63.100 0.247 0.000 0.767 287 P CB 0.434 32.265 31.700 0.218 0.000 0.801 288 M N 0.227 119.998 119.600 0.284 0.000 2.514 288 M HA 0.053 4.534 4.480 0.001 0.000 0.258 288 M C 0.445 176.898 176.300 0.255 0.000 1.159 288 M CA 0.615 56.054 55.300 0.232 0.000 1.116 288 M CB -1.012 31.657 32.600 0.114 0.000 1.333 288 M HN 0.146 nan 8.290 nan 0.000 0.487 289 T N 2.629 117.348 114.554 0.275 0.000 2.891 289 T HA 0.190 4.541 4.350 0.001 0.000 0.296 289 T C 0.501 175.396 174.700 0.324 0.000 1.025 289 T CA -0.095 62.154 62.100 0.247 0.000 1.149 289 T CB 0.259 69.264 68.868 0.228 0.000 1.007 289 T HN 0.377 nan 8.240 nan 0.000 0.528 290 A N 4.484 127.426 122.820 0.203 0.000 2.524 290 A HA 0.291 4.612 4.320 0.001 0.000 0.250 290 A C 0.847 178.520 177.584 0.148 0.000 1.078 290 A CA -0.101 52.040 52.037 0.173 0.000 0.761 290 A CB 0.141 19.187 19.000 0.077 0.000 1.012 290 A HN 0.700 nan 8.150 nan 0.000 0.500 291 R N 2.906 123.487 120.500 0.135 0.000 2.701 291 R HA 0.242 4.582 4.340 0.001 0.000 0.281 291 R C -3.018 173.231 176.300 -0.085 0.000 1.367 291 R CA -1.504 54.597 56.100 0.002 0.000 1.510 291 R CB 0.779 31.056 30.300 -0.038 0.000 1.306 291 R HN 0.553 nan 8.270 nan 0.000 0.682 292 P HA 0.049 nan 4.420 nan 0.000 0.269 292 P C 0.187 177.359 177.300 -0.213 0.000 1.209 292 P CA -0.022 62.934 63.100 -0.240 0.000 0.776 292 P CB 0.322 31.902 31.700 -0.201 0.000 0.876 293 F N -0.274 119.596 119.950 -0.133 0.000 2.706 293 F HA 0.237 4.765 4.527 0.001 0.000 0.313 293 F C 0.993 176.732 175.800 -0.101 0.000 1.096 293 F CA -0.406 57.504 58.000 -0.149 0.000 1.219 293 F CB -0.856 38.026 39.000 -0.197 0.000 1.051 293 F HN 0.098 nan 8.300 nan 0.000 0.568 294 D N 0.093 120.339 120.400 -0.256 0.000 2.349 294 D HA 0.202 4.842 4.640 0.001 0.000 0.224 294 D C 1.918 178.186 176.300 -0.053 0.000 1.029 294 D CA 0.605 54.549 54.000 -0.094 0.000 0.879 294 D CB -0.145 40.538 40.800 -0.195 0.000 0.906 294 D HN 0.472 nan 8.370 nan 0.000 0.528 295 G N 1.611 110.379 108.800 -0.054 0.000 2.179 295 G HA2 -0.452 3.508 3.960 0.001 0.000 0.260 295 G HA3 -0.452 3.508 3.960 0.001 0.000 0.260 295 G C 1.254 176.128 174.900 -0.043 0.000 0.977 295 G CA 0.487 45.566 45.100 -0.035 0.000 0.641 295 G HN 0.583 nan 8.290 nan 0.000 0.533 296 R N 0.613 121.074 120.500 -0.065 0.000 2.154 296 R HA -0.124 4.217 4.340 0.001 0.000 0.248 296 R C 1.583 177.860 176.300 -0.038 0.000 1.155 296 R CA 2.131 58.199 56.100 -0.054 0.000 0.979 296 R CB -0.589 29.669 30.300 -0.071 0.000 0.869 296 R HN 0.473 nan 8.270 nan 0.000 0.452 297 D N -0.008 120.370 120.400 -0.037 0.000 2.368 297 D HA 0.055 4.696 4.640 0.001 0.000 0.218 297 D C -0.068 176.223 176.300 -0.015 0.000 1.112 297 D CA -0.211 53.775 54.000 -0.022 0.000 0.834 297 D CB 0.177 40.965 40.800 -0.020 0.000 0.953 297 D HN 0.072 nan 8.370 nan 0.000 0.505 298 R N 0.036 120.526 120.500 -0.016 0.000 2.828 298 R HA 0.562 4.903 4.340 0.001 0.000 0.264 298 R C -0.442 175.854 176.300 -0.006 0.000 1.022 298 R CA -1.056 55.038 56.100 -0.009 0.000 1.021 298 R CB 1.635 31.929 30.300 -0.009 0.000 1.163 298 R HN -0.120 nan 8.270 nan 0.000 0.494 299 V N 1.371 121.284 119.914 -0.003 0.000 2.546 299 V HA 0.284 4.405 4.120 0.001 0.000 0.284 299 V C 0.392 176.485 176.094 -0.001 0.000 1.050 299 V CA -0.669 61.630 62.300 -0.001 0.000 0.981 299 V CB 1.391 33.215 31.823 0.001 0.000 0.990 299 V HN 0.847 nan 8.190 nan 0.000 0.474 300 A N 7.728 130.547 122.820 -0.001 0.000 2.437 300 A HA 0.607 4.928 4.320 0.001 0.000 0.303 300 A C -1.650 175.935 177.584 0.001 0.000 1.324 300 A CA -1.094 50.943 52.037 -0.000 0.000 0.983 300 A CB -0.531 18.469 19.000 -0.000 0.000 1.142 300 A HN 0.726 nan 8.150 nan 0.000 0.541 301 P HA 0.378 nan 4.420 nan 0.000 0.272 301 P C -0.105 177.197 177.300 0.003 0.000 1.223 301 P CA -0.139 62.962 63.100 0.002 0.000 0.784 301 P CB 0.836 32.537 31.700 0.002 0.000 0.923 302 A N 1.757 124.579 122.820 0.003 0.000 2.327 302 A HA 0.557 4.877 4.320 0.001 0.000 0.283 302 A C -0.361 177.224 177.584 0.003 0.000 1.127 302 A CA -0.341 51.698 52.037 0.003 0.000 0.810 302 A CB 0.347 19.349 19.000 0.003 0.000 1.066 302 A HN 0.363 nan 8.150 nan 0.000 0.492 303 V N 2.769 122.685 119.914 0.003 0.000 2.888 303 V HA 0.294 4.415 4.120 0.001 0.000 0.309 303 V C -0.176 175.920 176.094 0.003 0.000 1.114 303 V CA -0.960 61.341 62.300 0.002 0.000 0.940 303 V CB 2.158 33.982 31.823 0.002 0.000 1.021 303 V HN 0.977 nan 8.190 nan 0.000 0.426 304 K N 3.761 124.162 120.400 0.001 0.000 2.237 304 K HA 0.439 4.759 4.320 0.001 0.000 0.270 304 K C -2.244 174.358 176.600 0.003 0.000 1.015 304 K CA -1.272 55.016 56.287 0.001 0.000 0.949 304 K CB 0.660 33.158 32.500 -0.003 0.000 0.976 304 K HN 0.482 nan 8.250 nan 0.000 0.472 305 P HA 0.046 nan 4.420 nan 0.000 0.269 305 P C -0.957 176.348 177.300 0.008 0.000 1.209 305 P CA 0.005 63.111 63.100 0.010 0.000 0.776 305 P CB 0.607 32.317 31.700 0.016 0.000 0.876 306 M N 1.976 121.582 119.600 0.010 0.000 2.206 306 M HA 0.242 4.722 4.480 0.001 0.000 0.272 306 M C -1.624 174.686 176.300 0.016 0.000 1.012 306 M CA -0.214 55.091 55.300 0.008 0.000 0.986 306 M CB 1.840 34.440 32.600 0.001 0.000 1.740 306 M HN 0.319 nan 8.290 nan 0.000 0.472 307 Q N 4.392 124.207 119.800 0.026 0.000 2.397 307 Q HA 0.643 4.984 4.340 0.001 0.000 0.275 307 Q C -1.292 174.733 176.000 0.042 0.000 1.090 307 Q CA -0.794 55.033 55.803 0.041 0.000 0.809 307 Q CB 3.342 32.122 28.738 0.070 0.000 1.362 307 Q HN 0.708 nan 8.270 nan 0.000 0.431 308 I N 3.811 124.409 120.570 0.045 0.000 2.321 308 I HA 0.433 4.603 4.170 0.001 0.000 0.291 308 I C -0.232 175.930 176.117 0.074 0.000 0.998 308 I CA -0.645 60.683 61.300 0.047 0.000 1.227 308 I CB 0.602 38.630 38.000 0.046 0.000 1.368 308 I HN 0.520 nan 8.210 nan 0.000 0.466 309 I N 2.446 123.051 120.570 0.058 0.000 2.785 309 I HA 0.624 4.795 4.170 0.001 0.000 0.302 309 I C -0.857 175.240 176.117 -0.033 0.000 1.069 309 I CA -0.646 60.689 61.300 0.058 0.000 1.045 309 I CB 2.316 40.365 38.000 0.083 0.000 1.236 309 I HN 0.490 nan 8.210 nan 0.000 0.429 310 E N 4.490 124.648 120.200 -0.071 0.000 2.914 310 E HA 0.252 4.602 4.350 0.001 0.000 0.246 310 E C -2.130 174.321 176.600 -0.249 0.000 1.146 310 E CA -1.508 54.829 56.400 -0.106 0.000 0.803 310 E CB 1.363 31.056 29.700 -0.011 0.000 1.409 310 E HN 0.537 nan 8.360 nan 0.000 0.392 311 P HA -0.185 nan 4.420 nan 0.000 0.221 311 P C 0.362 177.509 177.300 -0.255 0.000 1.145 311 P CA 1.206 63.825 63.100 -0.801 0.000 0.795 311 P CB 0.396 31.641 31.700 -0.759 0.000 0.775 312 E N -0.627 119.488 120.200 -0.143 0.000 2.501 312 E HA 0.366 4.716 4.350 0.001 0.000 0.200 312 E C 0.844 177.428 176.600 -0.026 0.000 1.016 312 E CA -0.012 56.356 56.400 -0.053 0.000 0.921 312 E CB 0.290 29.961 29.700 -0.048 0.000 1.034 312 E HN 0.202 nan 8.360 nan 0.000 0.468 313 G N 1.355 110.142 108.800 -0.021 0.000 2.549 313 G HA2 -0.163 3.798 3.960 0.001 0.000 0.404 313 G HA3 -0.163 3.798 3.960 0.001 0.000 0.404 313 G C -0.912 173.937 174.900 -0.085 0.000 1.292 313 G CA -1.000 44.087 45.100 -0.022 0.000 0.935 313 G HN -0.068 nan 8.290 nan 0.000 0.512 314 K N -0.062 120.225 120.400 -0.189 0.000 2.090 314 K HA 0.419 4.740 4.320 0.001 0.000 0.249 314 K C 1.209 177.635 176.600 -0.289 0.000 0.995 314 K CA -0.662 55.396 56.287 -0.381 0.000 0.914 314 K CB 0.616 32.528 32.500 -0.981 0.000 1.057 314 K HN 0.566 nan 8.250 nan 0.000 0.462 315 N N -0.307 118.278 118.700 -0.190 0.000 2.412 315 N HA -0.015 4.726 4.740 0.001 0.000 0.184 315 N C -0.520 175.094 175.510 0.174 0.000 1.101 315 N CA 0.127 53.202 53.050 0.042 0.000 0.881 315 N CB 0.087 38.696 38.487 0.203 0.000 0.969 315 N HN 0.465 nan 8.380 nan 0.000 0.459 316 Y N -1.421 119.038 120.300 0.265 0.000 2.534 316 Y HA 0.710 5.261 4.550 0.001 0.000 0.329 316 Y C -0.278 175.656 175.900 0.057 0.000 1.154 316 Y CA -1.132 57.096 58.100 0.214 0.000 1.192 316 Y CB 0.687 39.242 38.460 0.159 0.000 1.275 316 Y HN -0.345 nan 8.280 nan 0.000 0.491 317 T N 3.240 117.943 114.554 0.248 0.000 2.861 317 T HA 0.558 4.909 4.350 0.001 0.000 0.287 317 T C -0.722 173.985 174.700 0.011 0.000 1.003 317 T CA -0.605 61.546 62.100 0.085 0.000 0.977 317 T CB 0.958 69.878 68.868 0.086 0.000 0.996 317 T HN 0.596 nan 8.240 nan 0.000 0.448 318 I N 3.045 123.536 120.570 -0.130 0.000 2.371 318 I HA 0.268 4.438 4.170 0.001 0.000 0.282 318 I C -0.025 176.075 176.117 -0.030 0.000 1.031 318 I CA -0.598 60.597 61.300 -0.174 0.000 1.180 318 I CB 1.098 38.852 38.000 -0.410 0.000 1.336 318 I HN 0.509 nan 8.210 nan 0.000 0.467 319 T N 5.156 119.707 114.554 -0.004 0.000 2.781 319 T HA 0.484 4.835 4.350 0.001 0.000 0.305 319 T C 0.928 175.658 174.700 0.051 0.000 1.001 319 T CA 0.322 62.452 62.100 0.051 0.000 0.950 319 T CB 1.349 70.244 68.868 0.045 0.000 0.955 319 T HN 1.012 nan 8.240 nan 0.000 0.471 320 G N 4.260 113.111 108.800 0.085 0.000 2.620 320 G HA2 -0.289 3.672 3.960 0.001 0.000 0.315 320 G HA3 -0.289 3.672 3.960 0.001 0.000 0.315 320 G C 0.359 175.255 174.900 -0.008 0.000 1.179 320 G CA 0.469 45.604 45.100 0.059 0.000 0.971 320 G HN 0.650 nan 8.290 nan 0.000 0.544 321 D N 1.059 121.390 120.400 -0.114 0.000 2.431 321 D HA 0.246 4.886 4.640 0.001 0.000 0.213 321 D C 0.922 176.949 176.300 -0.456 0.000 1.130 321 D CA 0.031 53.834 54.000 -0.327 0.000 0.834 321 D CB 0.227 40.678 40.800 -0.581 0.000 0.985 321 D HN 0.285 nan 8.370 nan 0.000 0.504 322 M N 1.219 120.665 119.600 -0.257 0.000 2.188 322 M HA 0.365 4.846 4.480 0.001 0.000 0.357 322 M C -0.108 176.012 176.300 -0.300 0.000 1.204 322 M CA -0.240 54.910 55.300 -0.251 0.000 1.095 322 M CB 2.038 34.621 32.600 -0.029 0.000 1.604 322 M HN -0.271 nan 8.290 nan 0.000 0.464 323 I N 2.227 122.459 120.570 -0.564 0.000 2.404 323 I HA 0.265 4.435 4.170 0.001 0.000 0.293 323 I C -0.523 175.380 176.117 -0.356 0.000 0.992 323 I CA -0.644 60.303 61.300 -0.587 0.000 1.149 323 I CB 1.555 38.932 38.000 -1.037 0.000 1.315 323 I HN 0.631 nan 8.210 nan 0.000 0.446 324 H N 5.428 124.413 119.070 -0.141 0.000 2.529 324 H HA 0.496 5.052 4.556 0.001 0.000 0.348 324 H C -1.984 173.472 175.328 0.213 0.000 1.079 324 H CA -0.629 55.433 56.048 0.023 0.000 1.198 324 H CB 1.361 31.137 29.762 0.023 0.000 1.521 324 H HN 0.597 nan 8.280 nan 0.000 0.514 325 W N 8.573 129.549 121.300 -0.541 0.000 3.268 325 W HA 0.387 5.047 4.660 0.001 0.000 0.330 325 W C -0.746 175.618 176.519 -0.259 0.000 1.074 325 W CA -0.510 56.672 57.345 -0.271 0.000 1.263 325 W CB 0.548 30.006 29.460 -0.003 0.000 1.250 325 W HN 1.011 nan 8.180 nan 0.000 0.425 326 R N 2.460 122.491 120.500 -0.781 0.000 3.923 326 R HA -0.378 3.963 4.340 0.001 0.000 0.400 326 R C 0.705 176.692 176.300 -0.522 0.000 0.241 326 R CA 1.962 57.643 56.100 -0.699 0.000 1.284 326 R CB -1.144 28.534 30.300 -1.037 0.000 1.006 326 R HN 0.743 nan 8.270 nan 0.000 0.559 327 N N -0.360 117.983 118.700 -0.595 0.000 2.467 327 N HA 0.019 4.760 4.740 0.001 0.000 0.184 327 N C -0.084 175.031 175.510 -0.659 0.000 1.106 327 N CA 0.156 52.749 53.050 -0.763 0.000 0.892 327 N CB 0.064 37.666 38.487 -1.475 0.000 0.969 327 N HN 0.180 nan 8.380 nan 0.000 0.454 328 W N 1.284 122.450 121.300 -0.223 0.000 2.381 328 W HA 0.354 5.015 4.660 0.001 0.000 0.329 328 W C -0.193 176.367 176.519 0.068 0.000 1.157 328 W CA -0.592 56.777 57.345 0.040 0.000 1.240 328 W CB 0.977 30.585 29.460 0.247 0.000 1.199 328 W HN -0.181 nan 8.180 nan 0.000 0.579 329 D N 2.421 123.127 120.400 0.510 0.000 2.970 329 D HA 0.359 4.999 4.640 0.001 0.000 0.230 329 D C -1.103 175.443 176.300 0.409 0.000 1.276 329 D CA -0.301 53.898 54.000 0.332 0.000 0.910 329 D CB 2.058 43.044 40.800 0.310 0.000 1.590 329 D HN 0.221 nan 8.370 nan 0.000 0.551 330 F N -1.022 118.962 119.950 0.056 0.000 2.711 330 F HA 0.456 4.984 4.527 0.001 0.000 0.313 330 F C -1.295 174.471 175.800 -0.057 0.000 1.141 330 F CA -1.018 56.981 58.000 -0.001 0.000 0.941 330 F CB 1.665 40.593 39.000 -0.120 0.000 1.349 330 F HN 0.174 nan 8.300 nan 0.000 0.464 331 H N 1.671 120.706 119.070 -0.058 0.000 2.495 331 H HA 0.705 5.262 4.556 0.001 0.000 0.348 331 H C -2.036 173.201 175.328 -0.151 0.000 1.113 331 H CA -0.815 55.066 56.048 -0.278 0.000 1.195 331 H CB 2.191 31.636 29.762 -0.528 0.000 1.521 331 H HN 0.850 nan 8.280 nan 0.000 0.509 332 L N 4.820 125.698 121.223 -0.575 0.000 2.372 332 L HA 0.362 4.703 4.340 0.001 0.000 0.274 332 L C -0.965 175.651 176.870 -0.423 0.000 0.988 332 L CA -0.162 54.476 54.840 -0.336 0.000 0.833 332 L CB 1.277 43.228 42.059 -0.181 0.000 1.236 332 L HN 0.678 nan 8.230 nan 0.000 0.410 333 S N 3.949 119.487 115.700 -0.269 0.000 2.709 333 S HA 0.886 5.357 4.470 0.001 0.000 0.302 333 S C -0.673 173.802 174.600 -0.208 0.000 1.127 333 S CA -0.914 57.170 58.200 -0.193 0.000 0.905 333 S CB 1.818 64.992 63.200 -0.043 0.000 1.151 333 S HN 0.641 nan 8.310 nan 0.000 0.510 334 M N 2.400 121.899 119.600 -0.168 0.000 2.465 334 M HA 0.514 4.995 4.480 0.001 0.000 0.316 334 M C -1.298 174.914 176.300 -0.146 0.000 1.121 334 M CA -0.567 54.613 55.300 -0.200 0.000 0.934 334 M CB 1.834 34.343 32.600 -0.152 0.000 1.692 334 M HN 0.880 nan 8.290 nan 0.000 0.444 335 N N 1.326 119.923 118.700 -0.172 0.000 2.269 335 N HA 0.301 5.042 4.740 0.001 0.000 0.304 335 N C 0.025 175.501 175.510 -0.056 0.000 1.072 335 N CA 0.135 53.130 53.050 -0.092 0.000 0.802 335 N CB 1.778 40.216 38.487 -0.082 0.000 1.348 335 N HN 0.855 nan 8.380 nan 0.000 0.484 336 S N 2.992 118.694 115.700 0.003 0.000 2.442 336 S HA -0.118 4.352 4.470 0.001 0.000 0.236 336 S C 1.681 176.327 174.600 0.076 0.000 1.007 336 S CA 0.633 58.864 58.200 0.051 0.000 0.965 336 S CB 0.038 63.279 63.200 0.069 0.000 0.773 336 S HN 0.711 nan 8.310 nan 0.000 0.504 337 R N 1.010 121.539 120.500 0.048 0.000 2.048 337 R HA 0.066 4.406 4.340 0.001 0.000 0.221 337 R C 2.188 178.533 176.300 0.075 0.000 1.174 337 R CA 1.578 57.706 56.100 0.046 0.000 0.971 337 R CB -0.275 30.010 30.300 -0.024 0.000 0.863 337 R HN 0.452 nan 8.270 nan 0.000 0.439 338 V N -1.636 118.303 119.914 0.041 0.000 3.647 338 V HA 0.408 4.529 4.120 0.001 0.000 0.279 338 V C 0.845 176.791 176.094 -0.247 0.000 1.314 338 V CA 0.516 62.817 62.300 0.002 0.000 1.125 338 V CB -0.206 31.638 31.823 0.035 0.000 0.907 338 V HN 0.705 nan 8.190 nan 0.000 0.434 339 G N 1.174 109.747 108.800 -0.378 0.000 2.488 339 G HA2 -0.171 3.790 3.960 0.001 0.000 0.237 339 G HA3 -0.171 3.790 3.960 0.001 0.000 0.237 339 G C -2.678 171.732 174.900 -0.816 0.000 1.209 339 G CA -0.227 44.261 45.100 -1.020 0.000 0.929 339 G HN 0.591 nan 8.290 nan 0.000 0.578 340 P HA 0.411 nan 4.420 nan 0.000 0.268 340 P C -0.432 176.537 177.300 -0.550 0.000 1.205 340 P CA 0.544 63.247 63.100 -0.662 0.000 0.771 340 P CB 0.572 31.913 31.700 -0.598 0.000 0.858 341 M N 3.370 122.699 119.600 -0.452 0.000 2.259 341 M HA 0.377 4.857 4.480 0.001 0.000 0.304 341 M C -0.517 175.538 176.300 -0.409 0.000 1.019 341 M CA -0.704 54.342 55.300 -0.424 0.000 0.922 341 M CB 1.923 34.348 32.600 -0.290 0.000 1.600 341 M HN 0.106 nan 8.290 nan 0.000 0.433 342 I N 2.598 122.858 120.570 -0.518 0.000 2.312 342 I HA 0.422 4.592 4.170 0.001 0.000 0.290 342 I C -0.152 175.804 176.117 -0.268 0.000 1.008 342 I CA -0.050 61.028 61.300 -0.370 0.000 1.226 342 I CB 0.755 38.432 38.000 -0.538 0.000 1.371 342 I HN 0.600 nan 8.210 nan 0.000 0.468 343 S N 3.116 118.727 115.700 -0.149 0.000 2.638 343 S HA 0.501 4.971 4.470 0.001 0.000 0.302 343 S C 0.058 174.556 174.600 -0.170 0.000 1.096 343 S CA -0.592 57.436 58.200 -0.287 0.000 0.953 343 S CB 1.804 64.766 63.200 -0.397 0.000 1.107 343 S HN 0.809 nan 8.310 nan 0.000 0.503 344 T N -1.451 112.853 114.554 -0.417 0.000 3.433 344 T HA -0.152 4.199 4.350 0.001 0.000 0.412 344 T C -0.157 174.704 174.700 0.268 0.000 0.768 344 T CA -0.043 61.864 62.100 -0.321 0.000 2.077 344 T CB -2.458 66.290 68.868 -0.200 0.000 1.700 344 T HN 0.442 nan 8.240 nan 0.000 0.666 345 V N 3.094 123.237 119.914 0.381 0.000 2.389 345 V HA 0.604 4.724 4.120 0.001 0.000 0.264 345 V C 1.212 177.692 176.094 0.643 0.000 1.049 345 V CA 0.127 62.730 62.300 0.506 0.000 0.932 345 V CB 0.825 32.878 31.823 0.383 0.000 1.011 345 V HN 1.022 nan 8.190 nan 0.000 0.475 346 T N 2.070 116.996 114.554 0.619 0.000 2.924 346 T HA 0.673 5.023 4.350 0.001 0.000 0.291 346 T C -1.111 173.874 174.700 0.474 0.000 1.045 346 T CA -0.769 61.630 62.100 0.500 0.000 1.015 346 T CB 1.991 71.087 68.868 0.380 0.000 1.103 346 T HN 0.416 nan 8.240 nan 0.000 0.496 347 Y N 1.896 122.315 120.300 0.197 0.000 2.326 347 Y HA 0.506 5.057 4.550 0.001 0.000 0.329 347 Y C -0.345 175.602 175.900 0.078 0.000 0.973 347 Y CA -1.275 56.810 58.100 -0.024 0.000 1.162 347 Y CB 1.404 39.784 38.460 -0.134 0.000 1.147 347 Y HN 0.871 nan 8.280 nan 0.000 0.456 348 N N 4.444 123.068 118.700 -0.126 0.000 2.399 348 N HA 0.041 4.781 4.740 0.001 0.000 0.259 348 N C -1.333 174.269 175.510 0.153 0.000 1.160 348 N CA 0.189 53.251 53.050 0.021 0.000 0.946 348 N CB 0.327 38.781 38.487 -0.056 0.000 1.156 348 N HN 0.574 nan 8.380 nan 0.000 0.489 349 D N 3.483 124.061 120.400 0.296 0.000 2.467 349 D HA 0.174 4.815 4.640 0.001 0.000 0.220 349 D C -0.596 175.799 176.300 0.159 0.000 1.103 349 D CA -0.155 54.045 54.000 0.334 0.000 0.886 349 D CB -0.799 40.224 40.800 0.371 0.000 1.025 349 D HN 0.714 nan 8.370 nan 0.000 0.514 350 N N 3.069 121.833 118.700 0.106 0.000 2.686 350 N HA -0.264 4.476 4.740 0.001 0.000 0.261 350 N C 0.901 176.435 175.510 0.040 0.000 1.001 350 N CA 0.391 53.472 53.050 0.053 0.000 0.764 350 N CB -0.622 37.894 38.487 0.049 0.000 0.898 350 N HN 0.733 nan 8.380 nan 0.000 0.544 351 G N -1.586 107.235 108.800 0.036 0.000 2.258 351 G HA2 -0.295 3.665 3.960 0.001 0.000 0.233 351 G HA3 -0.295 3.665 3.960 0.001 0.000 0.233 351 G C 0.135 175.056 174.900 0.035 0.000 1.006 351 G CA 0.422 45.538 45.100 0.026 0.000 0.620 351 G HN 0.431 nan 8.290 nan 0.000 0.511 352 T N 2.284 116.870 114.554 0.053 0.000 2.758 352 T HA 0.539 4.889 4.350 0.001 0.000 0.285 352 T C -0.057 174.693 174.700 0.085 0.000 0.981 352 T CA -0.486 61.644 62.100 0.050 0.000 0.965 352 T CB 1.661 70.546 68.868 0.030 0.000 0.927 352 T HN 0.305 nan 8.240 nan 0.000 0.448 353 K N 3.861 124.307 120.400 0.076 0.000 2.310 353 K HA 0.261 4.582 4.320 0.001 0.000 0.290 353 K C 0.232 176.888 176.600 0.094 0.000 1.077 353 K CA -0.221 56.134 56.287 0.113 0.000 0.922 353 K CB 0.830 33.401 32.500 0.118 0.000 1.057 353 K HN 0.361 nan 8.250 nan 0.000 0.479 354 R N 2.634 123.231 120.500 0.162 0.000 2.368 354 R HA 0.199 4.539 4.340 0.001 0.000 0.302 354 R C -0.157 176.248 176.300 0.175 0.000 1.002 354 R CA -0.734 55.446 56.100 0.134 0.000 0.929 354 R CB 1.272 31.699 30.300 0.211 0.000 1.073 354 R HN 0.357 nan 8.270 nan 0.000 0.464 355 K N 1.181 121.584 120.400 0.005 0.000 2.355 355 K HA 0.087 4.408 4.320 0.001 0.000 0.270 355 K C 0.262 176.987 176.600 0.208 0.000 1.003 355 K CA -0.217 56.053 56.287 -0.029 0.000 0.957 355 K CB 1.062 33.339 32.500 -0.371 0.000 0.939 355 K HN 0.305 nan 8.250 nan 0.000 0.482 356 V N 1.449 121.523 119.914 0.267 0.000 3.102 356 V HA 0.143 4.263 4.120 0.001 0.000 0.225 356 V C -0.160 175.988 176.094 0.090 0.000 1.301 356 V CA 0.045 62.392 62.300 0.078 0.000 1.308 356 V CB 0.488 32.342 31.823 0.053 0.000 1.129 356 V HN 0.787 nan 8.190 nan 0.000 0.502 357 M N -1.203 118.558 119.600 0.269 0.000 2.277 357 M HA 0.370 4.851 4.480 0.001 0.000 0.282 357 M C -0.147 176.326 176.300 0.288 0.000 1.074 357 M CA -0.580 54.844 55.300 0.207 0.000 0.954 357 M CB 2.123 34.756 32.600 0.056 0.000 1.672 357 M HN 0.256 nan 8.290 nan 0.000 0.471 358 Y N 3.456 123.837 120.300 0.136 0.000 2.220 358 Y HA 0.202 4.752 4.550 0.001 0.000 0.291 358 Y C 0.147 175.893 175.900 -0.257 0.000 1.129 358 Y CA 1.981 59.978 58.100 -0.172 0.000 1.161 358 Y CB 0.480 38.822 38.460 -0.197 0.000 0.997 358 Y HN 0.719 nan 8.280 nan 0.000 0.522 359 E N -0.418 119.582 120.200 -0.334 0.000 2.354 359 E HA 0.492 4.843 4.350 0.001 0.000 0.283 359 E C -1.460 174.998 176.600 -0.237 0.000 0.938 359 E CA -0.461 55.687 56.400 -0.421 0.000 0.777 359 E CB 1.405 30.745 29.700 -0.601 0.000 1.222 359 E HN 0.272 nan 8.360 nan 0.000 0.423 360 G N 1.437 110.071 108.800 -0.277 0.000 2.682 360 G HA2 0.655 4.616 3.960 0.001 0.000 0.300 360 G HA3 0.655 4.616 3.960 0.001 0.000 0.300 360 G C -1.053 173.631 174.900 -0.360 0.000 1.391 360 G CA -0.037 44.940 45.100 -0.205 0.000 0.990 360 G HN 0.791 nan 8.290 nan 0.000 0.501 361 S N 0.537 116.200 115.700 -0.062 0.000 2.656 361 S HA 0.610 5.080 4.470 0.001 0.000 0.265 361 S C -1.291 173.552 174.600 0.405 0.000 1.132 361 S CA -0.792 57.397 58.200 -0.019 0.000 0.819 361 S CB 0.939 64.039 63.200 -0.167 0.000 1.119 361 S HN 1.645 nan 8.310 nan 0.000 0.476 362 L N 1.799 123.229 121.223 0.344 0.000 2.426 362 L HA 0.692 5.032 4.340 0.001 0.000 0.271 362 L C 1.211 178.133 176.870 0.087 0.000 1.169 362 L CA 1.123 56.098 54.840 0.225 0.000 0.836 362 L CB 0.515 42.572 42.059 -0.003 0.000 1.112 362 L HN 1.002 nan 8.230 nan 0.000 0.465 363 G N 2.672 111.493 108.800 0.036 0.000 2.447 363 G HA2 0.487 4.448 3.960 0.001 0.000 0.211 363 G HA3 0.487 4.448 3.960 0.001 0.000 0.211 363 G C 0.393 175.352 174.900 0.098 0.000 1.184 363 G CA 0.479 45.635 45.100 0.093 0.000 0.813 363 G HN 1.141 nan 8.290 nan 0.000 0.540 364 G N -1.133 107.645 108.800 -0.037 0.000 2.356 364 G HA2 0.561 4.521 3.960 0.001 0.000 0.294 364 G HA3 0.561 4.521 3.960 0.001 0.000 0.294 364 G C -1.076 173.789 174.900 -0.060 0.000 1.423 364 G CA -0.292 44.770 45.100 -0.063 0.000 0.806 364 G HN 0.825 nan 8.290 nan 0.000 0.527 365 M N -0.769 118.841 119.600 0.018 0.000 2.683 365 M HA 0.899 5.380 4.480 0.001 0.000 0.274 365 M C -1.719 174.664 176.300 0.138 0.000 1.272 365 M CA -1.074 54.269 55.300 0.071 0.000 0.833 365 M CB 2.717 35.291 32.600 -0.042 0.000 1.708 365 M HN 0.809 nan 8.290 nan 0.000 0.463 366 I N 1.223 121.854 120.570 0.102 0.000 2.841 366 I HA 0.642 4.812 4.170 0.001 0.000 0.298 366 I C -1.888 174.259 176.117 0.050 0.000 1.304 366 I CA -0.962 60.415 61.300 0.128 0.000 1.019 366 I CB 2.648 40.754 38.000 0.177 0.000 1.282 366 I HN 0.661 nan 8.210 nan 0.000 0.432 367 V N 7.848 127.844 119.914 0.137 0.000 2.320 367 V HA 0.383 4.503 4.120 0.001 0.000 0.268 367 V C -2.422 173.795 176.094 0.205 0.000 1.021 367 V CA -1.135 61.212 62.300 0.079 0.000 0.813 367 V CB 1.136 33.002 31.823 0.071 0.000 1.054 367 V HN 0.517 nan 8.190 nan 0.000 0.444 368 P HA 0.437 nan 4.420 nan 0.000 0.292 368 P C -1.287 176.166 177.300 0.255 0.000 1.283 368 P CA -0.440 62.872 63.100 0.354 0.000 0.835 368 P CB 1.423 33.422 31.700 0.498 0.000 1.017 369 Y N 0.382 120.879 120.300 0.328 0.000 2.432 369 Y HA 0.528 5.079 4.550 0.001 0.000 0.322 369 Y C 1.840 177.833 175.900 0.155 0.000 1.246 369 Y CA 0.273 58.526 58.100 0.255 0.000 1.268 369 Y CB 1.083 39.736 38.460 0.321 0.000 1.276 369 Y HN 0.490 nan 8.280 nan 0.000 0.499 370 G N 0.127 109.018 108.800 0.152 0.000 3.774 370 G HA2 0.029 3.990 3.960 0.001 0.000 0.287 370 G HA3 0.029 3.990 3.960 0.001 0.000 0.287 370 G C -0.735 174.105 174.900 -0.099 0.000 1.030 370 G CA -0.135 44.947 45.100 -0.029 0.000 0.824 370 G HN 0.504 nan 8.290 nan 0.000 0.518 371 D N 1.058 121.390 120.400 -0.113 0.000 2.193 371 D HA 0.262 4.902 4.640 0.001 0.000 0.244 371 D C -1.532 174.617 176.300 -0.252 0.000 1.064 371 D CA -1.762 51.951 54.000 -0.477 0.000 0.845 371 D CB 3.130 43.659 40.800 -0.451 0.000 1.148 371 D HN 0.020 nan 8.370 nan 0.000 0.464 372 P HA 0.054 nan 4.420 nan 0.000 0.240 372 P C -0.169 177.161 177.300 0.050 0.000 1.190 372 P CA -0.099 62.933 63.100 -0.113 0.000 0.781 372 P CB 0.664 32.247 31.700 -0.196 0.000 0.931 373 D N 0.744 121.163 120.400 0.031 0.000 2.364 373 D HA -0.038 4.602 4.640 0.001 0.000 0.236 373 D C 1.978 178.487 176.300 0.349 0.000 1.221 373 D CA -0.015 54.089 54.000 0.173 0.000 0.891 373 D CB 0.685 41.577 40.800 0.153 0.000 1.190 373 D HN 0.089 nan 8.370 nan 0.000 0.449 374 I N -1.778 118.980 120.570 0.312 0.000 2.194 374 I HA -0.156 4.015 4.170 0.001 0.000 0.246 374 I C 1.689 177.975 176.117 0.281 0.000 1.093 374 I CA 1.850 63.356 61.300 0.344 0.000 1.355 374 I CB -0.566 37.558 38.000 0.206 0.000 1.046 374 I HN 0.291 nan 8.210 nan 0.000 0.413 375 G N -1.106 107.825 108.800 0.218 0.000 3.124 375 G HA2 0.082 4.042 3.960 0.001 0.000 0.212 375 G HA3 0.082 4.042 3.960 0.001 0.000 0.212 375 G C 0.529 175.107 174.900 -0.537 0.000 1.181 375 G CA -0.087 44.987 45.100 -0.044 0.000 0.803 375 G HN 0.664 nan 8.290 nan 0.000 0.529 376 W N -1.858 119.296 121.300 -0.243 0.000 2.926 376 W HA 0.177 4.838 4.660 0.001 0.000 0.221 376 W C 1.918 178.189 176.519 -0.414 0.000 1.030 376 W CA -0.372 56.707 57.345 -0.443 0.000 1.330 376 W CB -0.312 29.028 29.460 -0.200 0.000 0.787 376 W HN 0.198 nan 8.180 nan 0.000 0.736 377 Y N 0.965 121.304 120.300 0.066 0.000 2.241 377 Y HA -0.282 4.269 4.550 0.001 0.000 0.286 377 Y C 1.669 177.691 175.900 0.203 0.000 1.166 377 Y CA 1.594 59.761 58.100 0.112 0.000 1.203 377 Y CB -1.803 36.695 38.460 0.064 0.000 0.977 377 Y HN 0.074 nan 8.280 nan 0.000 0.529 378 F N 0.172 119.970 119.950 -0.253 0.000 2.749 378 F HA 0.375 4.903 4.527 0.001 0.000 0.300 378 F C 0.939 176.770 175.800 0.051 0.000 1.103 378 F CA -1.183 56.855 58.000 0.064 0.000 1.342 378 F CB -0.543 38.317 39.000 -0.233 0.000 1.098 378 F HN -0.169 nan 8.300 nan 0.000 0.586 379 K N 2.398 122.276 120.400 -0.871 0.000 2.361 379 K HA 0.447 4.767 4.320 0.001 0.000 0.283 379 K C -0.865 175.755 176.600 0.034 0.000 1.078 379 K CA 0.323 56.275 56.287 -0.559 0.000 1.041 379 K CB -0.174 31.845 32.500 -0.802 0.000 0.932 379 K HN 0.390 nan 8.250 nan 0.000 0.462 380 A N 5.698 128.537 122.820 0.031 0.000 2.547 380 A HA 0.288 4.608 4.320 0.001 0.000 0.279 380 A C -1.892 175.777 177.584 0.143 0.000 1.088 380 A CA -0.723 51.444 52.037 0.217 0.000 0.796 380 A CB 0.441 19.535 19.000 0.156 0.000 1.308 380 A HN 0.623 nan 8.150 nan 0.000 0.415 381 Y N 2.130 122.550 120.300 0.199 0.000 2.383 381 Y HA 0.452 5.002 4.550 0.001 0.000 0.344 381 Y C 0.121 176.126 175.900 0.175 0.000 0.986 381 Y CA -0.716 57.500 58.100 0.194 0.000 1.175 381 Y CB 1.187 39.728 38.460 0.136 0.000 1.152 381 Y HN 0.496 nan 8.280 nan 0.000 0.511 382 L N 4.927 126.343 121.223 0.322 0.000 2.397 382 L HA 0.250 4.590 4.340 0.001 0.000 0.263 382 L C 1.132 178.184 176.870 0.304 0.000 1.136 382 L CA 0.081 55.064 54.840 0.238 0.000 1.019 382 L CB -0.412 41.742 42.059 0.159 0.000 1.352 382 L HN 0.628 nan 8.230 nan 0.000 0.420 383 N N 0.491 119.352 118.700 0.268 0.000 2.037 383 N HA -0.240 4.500 4.740 0.001 0.000 0.196 383 N C 1.841 177.515 175.510 0.273 0.000 1.034 383 N CA 1.881 55.094 53.050 0.272 0.000 0.861 383 N CB -0.038 38.541 38.487 0.153 0.000 1.039 383 N HN 0.647 nan 8.380 nan 0.000 0.427 384 S N -0.125 115.679 115.700 0.174 0.000 2.357 384 S HA 0.008 4.479 4.470 0.001 0.000 0.221 384 S C 2.212 176.853 174.600 0.069 0.000 1.031 384 S CA 1.145 59.430 58.200 0.141 0.000 0.982 384 S CB -1.031 62.229 63.200 0.100 0.000 0.853 384 S HN 0.365 nan 8.310 nan 0.000 0.458 385 G N 1.903 110.706 108.800 0.004 0.000 2.453 385 G HA2 -0.162 3.799 3.960 0.001 0.000 0.215 385 G HA3 -0.162 3.799 3.960 0.001 0.000 0.215 385 G C 1.098 175.971 174.900 -0.044 0.000 1.201 385 G CA 1.127 46.165 45.100 -0.104 0.000 0.784 385 G HN 0.515 nan 8.290 nan 0.000 0.545 386 D N -1.173 119.252 120.400 0.043 0.000 2.323 386 D HA 0.082 4.723 4.640 0.001 0.000 0.209 386 D C 1.368 177.547 176.300 -0.203 0.000 0.973 386 D CA 0.505 54.459 54.000 -0.078 0.000 0.874 386 D CB 0.178 40.917 40.800 -0.102 0.000 0.930 386 D HN 0.474 nan 8.370 nan 0.000 0.521 387 Y N -0.363 120.004 120.300 0.113 0.000 2.467 387 Y HA 0.316 4.867 4.550 0.001 0.000 0.259 387 Y C 1.186 177.173 175.900 0.145 0.000 1.084 387 Y CA 0.176 58.376 58.100 0.166 0.000 1.275 387 Y CB 1.024 39.625 38.460 0.236 0.000 1.208 387 Y HN -0.091 nan 8.280 nan 0.000 0.511 388 G N 1.312 110.259 108.800 0.243 0.000 2.799 388 G HA2 -0.245 3.715 3.960 0.001 0.000 0.271 388 G HA3 -0.245 3.715 3.960 0.001 0.000 0.271 388 G C 0.431 175.476 174.900 0.242 0.000 1.067 388 G CA 0.218 45.431 45.100 0.189 0.000 1.251 388 G HN 0.250 nan 8.290 nan 0.000 0.560 389 M N 0.706 120.469 119.600 0.273 0.000 2.213 389 M HA 0.006 4.487 4.480 0.001 0.000 0.263 389 M C 2.744 179.346 176.300 0.504 0.000 1.062 389 M CA 2.251 57.771 55.300 0.366 0.000 1.105 389 M CB -0.145 32.709 32.600 0.425 0.000 1.385 389 M HN 0.604 nan 8.290 nan 0.000 0.417 390 G N -0.361 108.683 108.800 0.407 0.000 2.418 390 G HA2 -0.174 3.787 3.960 0.001 0.000 0.217 390 G HA3 -0.174 3.787 3.960 0.001 0.000 0.217 390 G C 1.486 176.551 174.900 0.276 0.000 1.158 390 G CA 1.382 46.685 45.100 0.339 0.000 0.771 390 G HN 0.359 nan 8.290 nan 0.000 0.545 391 T N 1.173 115.851 114.554 0.208 0.000 2.867 391 T HA 0.022 4.373 4.350 0.001 0.000 0.268 391 T C 1.998 176.801 174.700 0.171 0.000 1.057 391 T CA 0.529 62.730 62.100 0.169 0.000 1.136 391 T CB -0.122 68.839 68.868 0.155 0.000 0.874 391 T HN 0.126 nan 8.240 nan 0.000 0.466 392 L N 1.534 122.875 121.223 0.196 0.000 2.645 392 L HA 0.138 4.478 4.340 0.001 0.000 0.234 392 L C 0.683 177.639 176.870 0.142 0.000 1.165 392 L CA -0.233 54.697 54.840 0.149 0.000 0.944 392 L CB -0.673 41.471 42.059 0.143 0.000 1.149 392 L HN 0.089 nan 8.230 nan 0.000 0.446 393 T N 0.224 114.915 114.554 0.228 0.000 2.946 393 T HA -0.035 4.316 4.350 0.001 0.000 0.312 393 T C 0.635 175.395 174.700 0.100 0.000 1.066 393 T CA 0.424 62.661 62.100 0.228 0.000 1.138 393 T CB 0.499 69.622 68.868 0.425 0.000 1.014 393 T HN 0.146 nan 8.240 nan 0.000 0.544 394 S N 5.320 121.031 115.700 0.018 0.000 2.422 394 S HA 0.355 4.826 4.470 0.001 0.000 0.308 394 S C -2.243 172.375 174.600 0.031 0.000 1.097 394 S CA -1.216 56.987 58.200 0.005 0.000 1.099 394 S CB 0.995 64.166 63.200 -0.048 0.000 0.976 394 S HN 0.462 nan 8.310 nan 0.000 0.471 395 P HA 0.021 nan 4.420 nan 0.000 0.263 395 P C -0.267 177.054 177.300 0.036 0.000 1.175 395 P CA -0.132 62.998 63.100 0.050 0.000 0.761 395 P CB 0.228 31.948 31.700 0.034 0.000 0.794 396 I N 2.223 122.824 120.570 0.052 0.000 2.668 396 I HA 0.018 4.189 4.170 0.001 0.000 0.285 396 I C 0.965 177.091 176.117 0.016 0.000 1.168 396 I CA -0.125 61.200 61.300 0.042 0.000 1.424 396 I CB -0.295 37.747 38.000 0.070 0.000 1.377 396 I HN 0.359 nan 8.210 nan 0.000 0.560 397 A N 7.928 130.749 122.820 0.002 0.000 2.415 397 A HA 0.233 4.554 4.320 0.001 0.000 0.309 397 A C 0.769 178.344 177.584 -0.014 0.000 1.356 397 A CA -0.552 51.480 52.037 -0.008 0.000 0.998 397 A CB -0.097 18.895 19.000 -0.012 0.000 1.145 397 A HN 0.766 nan 8.150 nan 0.000 0.545 398 R N 2.009 122.499 120.500 -0.016 0.000 2.481 398 R HA 0.152 4.493 4.340 0.001 0.000 0.291 398 R C 1.447 177.731 176.300 -0.026 0.000 0.934 398 R CA 1.740 57.827 56.100 -0.021 0.000 1.116 398 R CB -0.036 30.248 30.300 -0.026 0.000 0.895 398 R HN 1.609 nan 8.270 nan 0.000 0.410 399 G N 3.015 111.791 108.800 -0.040 0.000 2.189 399 G HA2 -0.345 3.616 3.960 0.001 0.000 0.267 399 G HA3 -0.345 3.616 3.960 0.001 0.000 0.267 399 G C 0.630 175.502 174.900 -0.046 0.000 0.975 399 G CA 0.892 45.966 45.100 -0.043 0.000 0.644 399 G HN 0.668 nan 8.290 nan 0.000 0.537 400 K N -1.203 119.171 120.400 -0.043 0.000 2.410 400 K HA 0.130 4.451 4.320 0.001 0.000 0.204 400 K C 1.180 177.758 176.600 -0.037 0.000 1.268 400 K CA 0.313 56.578 56.287 -0.035 0.000 0.896 400 K CB 0.185 32.671 32.500 -0.023 0.000 1.401 400 K HN 0.075 nan 8.250 nan 0.000 0.479 401 D N 0.894 121.276 120.400 -0.031 0.000 2.347 401 D HA 0.069 4.710 4.640 0.001 0.000 0.215 401 D C 0.040 176.324 176.300 -0.026 0.000 0.976 401 D CA 0.468 54.461 54.000 -0.012 0.000 0.884 401 D CB 0.619 41.420 40.800 0.001 0.000 0.915 401 D HN 0.170 nan 8.370 nan 0.000 0.526 402 A N 0.632 123.391 122.820 -0.103 0.000 2.572 402 A HA 0.566 4.887 4.320 0.001 0.000 0.295 402 A C -2.694 174.684 177.584 -0.343 0.000 1.072 402 A CA -1.318 50.547 52.037 -0.285 0.000 0.691 402 A CB 1.634 20.500 19.000 -0.223 0.000 1.291 402 A HN -0.235 nan 8.150 nan 0.000 0.404 403 P HA 0.064 nan 4.420 nan 0.000 0.269 403 P C 1.008 178.197 177.300 -0.185 0.000 1.217 403 P CA 0.456 63.353 63.100 -0.339 0.000 0.783 403 P CB 0.613 32.084 31.700 -0.380 0.000 0.898 404 S N 0.094 115.748 115.700 -0.077 0.000 2.500 404 S HA -0.145 4.326 4.470 0.001 0.000 0.239 404 S C 1.097 175.720 174.600 0.039 0.000 0.989 404 S CA 0.753 58.947 58.200 -0.009 0.000 0.951 404 S CB -1.071 62.140 63.200 0.019 0.000 0.759 404 S HN 0.633 nan 8.310 nan 0.000 0.523 405 N N 1.646 120.373 118.700 0.044 0.000 2.279 405 N HA 0.329 5.069 4.740 0.001 0.000 0.226 405 N C 0.059 175.667 175.510 0.163 0.000 1.126 405 N CA 0.120 53.239 53.050 0.115 0.000 0.846 405 N CB 0.074 38.638 38.487 0.128 0.000 1.050 405 N HN 0.459 nan 8.380 nan 0.000 0.502 406 A N 0.186 123.071 122.820 0.109 0.000 2.286 406 A HA 0.593 4.913 4.320 0.001 0.000 0.286 406 A C -0.293 177.415 177.584 0.208 0.000 1.097 406 A CA -0.522 51.632 52.037 0.196 0.000 0.821 406 A CB 1.124 20.164 19.000 0.067 0.000 1.076 406 A HN 0.070 nan 8.150 nan 0.000 0.490 407 V N 2.105 122.171 119.914 0.254 0.000 2.417 407 V HA 0.332 4.453 4.120 0.001 0.000 0.291 407 V C -0.412 175.809 176.094 0.212 0.000 1.024 407 V CA -0.241 62.210 62.300 0.252 0.000 0.861 407 V CB 1.184 33.188 31.823 0.302 0.000 0.985 407 V HN 0.675 nan 8.190 nan 0.000 0.436 408 L N 6.405 127.736 121.223 0.180 0.000 2.272 408 L HA 0.560 4.900 4.340 0.001 0.000 0.289 408 L C -0.456 176.500 176.870 0.143 0.000 1.032 408 L CA -0.389 54.535 54.840 0.140 0.000 0.810 408 L CB 1.295 43.402 42.059 0.080 0.000 1.205 408 L HN 0.397 nan 8.230 nan 0.000 0.422 409 L N 3.420 124.729 121.223 0.142 0.000 2.357 409 L HA 0.429 4.770 4.340 0.001 0.000 0.273 409 L C 0.060 176.968 176.870 0.063 0.000 1.080 409 L CA -0.622 54.290 54.840 0.120 0.000 0.803 409 L CB 1.033 43.161 42.059 0.115 0.000 1.174 409 L HN 0.593 nan 8.230 nan 0.000 0.443 410 N N 1.743 120.457 118.700 0.024 0.000 2.492 410 N HA 0.427 5.167 4.740 0.001 0.000 0.289 410 N C -0.787 174.727 175.510 0.006 0.000 1.133 410 N CA -0.539 52.517 53.050 0.009 0.000 0.961 410 N CB 1.932 40.407 38.487 -0.021 0.000 1.186 410 N HN 0.483 nan 8.380 nan 0.000 0.493 411 E N 0.435 120.642 120.200 0.011 0.000 2.331 411 E HA 0.415 4.766 4.350 0.001 0.000 0.275 411 E C -0.891 175.710 176.600 0.001 0.000 0.895 411 E CA -0.535 55.862 56.400 -0.003 0.000 0.753 411 E CB 2.139 31.834 29.700 -0.009 0.000 1.216 411 E HN 0.342 nan 8.360 nan 0.000 0.434 412 T N 2.450 116.997 114.554 -0.012 0.000 2.856 412 T HA 0.782 5.133 4.350 0.001 0.000 0.283 412 T C 0.314 175.008 174.700 -0.010 0.000 1.008 412 T CA -0.544 61.552 62.100 -0.007 0.000 0.997 412 T CB 0.758 69.617 68.868 -0.014 0.000 0.992 412 T HN 0.487 nan 8.240 nan 0.000 0.454 413 I N -1.000 119.569 120.570 -0.001 0.000 3.493 413 I HA 0.966 5.136 4.170 0.001 0.000 0.315 413 I C -1.169 174.946 176.117 -0.003 0.000 1.202 413 I CA -1.892 59.408 61.300 0.000 0.000 0.943 413 I CB 1.617 39.629 38.000 0.020 0.000 1.349 413 I HN 0.631 nan 8.210 nan 0.000 0.480 414 A N 1.596 124.415 122.820 -0.001 0.000 2.305 414 A HA 0.636 4.957 4.320 0.001 0.000 0.322 414 A C -0.802 176.797 177.584 0.025 0.000 1.187 414 A CA -0.412 51.614 52.037 -0.019 0.000 0.825 414 A CB 0.423 19.390 19.000 -0.055 0.000 1.164 414 A HN 0.831 nan 8.150 nan 0.000 0.498 415 D N 0.421 120.828 120.400 0.012 0.000 2.414 415 D HA 0.086 4.727 4.640 0.001 0.000 0.251 415 D C 0.733 177.096 176.300 0.104 0.000 1.252 415 D CA 0.082 54.124 54.000 0.070 0.000 0.999 415 D CB -0.028 40.789 40.800 0.028 0.000 1.093 415 D HN 0.651 nan 8.370 nan 0.000 0.515 416 Y N -2.450 117.925 120.300 0.124 0.000 2.639 416 Y HA 0.021 4.572 4.550 0.001 0.000 0.297 416 Y C 1.578 177.654 175.900 0.292 0.000 1.151 416 Y CA 0.997 59.210 58.100 0.188 0.000 1.335 416 Y CB -0.989 37.554 38.460 0.139 0.000 0.994 416 Y HN 0.360 nan 8.280 nan 0.000 0.548 417 T N -3.844 110.472 114.554 -0.397 0.000 3.105 417 T HA 0.467 4.818 4.350 0.001 0.000 0.253 417 T C 1.518 176.232 174.700 0.023 0.000 1.047 417 T CA 0.161 62.176 62.100 -0.142 0.000 0.944 417 T CB -0.223 68.450 68.868 -0.326 0.000 1.016 417 T HN 0.831 nan 8.240 nan 0.000 0.544 418 G N 0.665 109.373 108.800 -0.154 0.000 2.141 418 G HA2 -0.207 3.754 3.960 0.001 0.000 0.242 418 G HA3 -0.207 3.754 3.960 0.001 0.000 0.242 418 G C -0.045 174.683 174.900 -0.286 0.000 0.982 418 G CA -0.076 44.714 45.100 -0.516 0.000 0.662 418 G HN 0.679 nan 8.290 nan 0.000 0.527 419 V N 1.831 121.642 119.914 -0.172 0.000 2.439 419 V HA 0.469 4.589 4.120 0.001 0.000 0.282 419 V C -1.555 174.488 176.094 -0.085 0.000 1.039 419 V CA -1.702 60.527 62.300 -0.118 0.000 0.913 419 V CB 1.669 33.437 31.823 -0.092 0.000 0.983 419 V HN 0.102 nan 8.190 nan 0.000 0.460 420 P HA 0.093 nan 4.420 nan 0.000 0.265 420 P C -0.593 176.691 177.300 -0.027 0.000 1.187 420 P CA 0.261 63.333 63.100 -0.047 0.000 0.766 420 P CB 0.335 32.008 31.700 -0.044 0.000 0.820 421 M N 2.016 121.609 119.600 -0.011 0.000 2.267 421 M HA 0.277 4.758 4.480 0.001 0.000 0.289 421 M C -0.892 175.414 176.300 0.011 0.000 1.043 421 M CA -0.572 54.731 55.300 0.006 0.000 0.928 421 M CB 1.917 34.530 32.600 0.023 0.000 1.613 421 M HN 0.225 nan 8.290 nan 0.000 0.450 422 E N 5.357 125.564 120.200 0.011 0.000 2.115 422 E HA 0.409 4.759 4.350 0.001 0.000 0.282 422 E C -1.412 175.203 176.600 0.024 0.000 0.987 422 E CA -0.461 55.946 56.400 0.011 0.000 0.797 422 E CB 0.960 30.661 29.700 0.001 0.000 1.086 422 E HN 0.696 nan 8.360 nan 0.000 0.397 423 I N 7.959 128.550 120.570 0.036 0.000 2.304 423 I HA 0.246 4.417 4.170 0.001 0.000 0.291 423 I C -1.955 174.189 176.117 0.045 0.000 1.018 423 I CA -2.182 59.150 61.300 0.054 0.000 1.260 423 I CB 1.057 39.110 38.000 0.088 0.000 1.390 423 I HN 0.377 nan 8.210 nan 0.000 0.475 424 P HA 0.111 nan 4.420 nan 0.000 0.275 424 P C -0.512 176.809 177.300 0.036 0.000 1.227 424 P CA -0.311 62.800 63.100 0.018 0.000 0.781 424 P CB 0.591 32.291 31.700 0.002 0.000 0.906 425 R N 1.000 121.519 120.500 0.031 0.000 3.301 425 R HA -0.236 4.105 4.340 0.001 0.000 0.249 425 R C 1.187 177.548 176.300 0.101 0.000 0.964 425 R CA 0.426 56.559 56.100 0.055 0.000 0.653 425 R CB -2.403 27.916 30.300 0.032 0.000 1.043 425 R HN 0.610 nan 8.270 nan 0.000 0.454 426 A N 0.372 123.264 122.820 0.120 0.000 1.902 426 A HA 0.036 4.357 4.320 0.001 0.000 0.217 426 A C 1.102 178.854 177.584 0.279 0.000 1.181 426 A CA 1.028 53.179 52.037 0.191 0.000 0.623 426 A CB 0.255 19.345 19.000 0.149 0.000 0.818 426 A HN 0.385 nan 8.150 nan 0.000 0.443 427 I N -1.555 119.137 120.570 0.202 0.000 2.647 427 I HA 0.549 4.719 4.170 0.001 0.000 0.295 427 I C -0.279 175.952 176.117 0.191 0.000 1.078 427 I CA -0.758 60.679 61.300 0.228 0.000 1.048 427 I CB 2.232 40.314 38.000 0.136 0.000 1.239 427 I HN 0.174 nan 8.210 nan 0.000 0.421 428 A N 5.435 128.395 122.820 0.233 0.000 2.324 428 A HA 0.858 5.179 4.320 0.001 0.000 0.330 428 A C -0.963 176.763 177.584 0.237 0.000 1.165 428 A CA -0.508 51.679 52.037 0.250 0.000 0.813 428 A CB 1.480 20.669 19.000 0.315 0.000 1.197 428 A HN 0.418 nan 8.150 nan 0.000 0.484 429 V N 2.536 122.561 119.914 0.185 0.000 2.531 429 V HA 0.733 4.854 4.120 0.001 0.000 0.301 429 V C -1.170 174.982 176.094 0.097 0.000 1.034 429 V CA -0.283 61.991 62.300 -0.043 0.000 0.865 429 V CB 0.943 32.600 31.823 -0.276 0.000 0.995 429 V HN 0.917 nan 8.190 nan 0.000 0.424 430 F N 1.200 121.055 119.950 -0.159 0.000 2.650 430 F HA 0.718 5.245 4.527 0.001 0.000 0.310 430 F C -0.774 174.972 175.800 -0.089 0.000 1.112 430 F CA -1.092 56.882 58.000 -0.043 0.000 0.986 430 F CB 1.451 40.465 39.000 0.023 0.000 1.285 430 F HN 0.472 nan 8.300 nan 0.000 0.440 431 E N 2.688 123.003 120.200 0.191 0.000 2.242 431 E HA 0.681 5.032 4.350 0.001 0.000 0.275 431 E C -0.941 175.779 176.600 0.200 0.000 1.002 431 E CA -0.900 55.544 56.400 0.074 0.000 0.841 431 E CB 1.365 31.217 29.700 0.254 0.000 1.109 431 E HN 0.851 nan 8.360 nan 0.000 0.394 432 R N 2.601 123.180 120.500 0.132 0.000 2.707 432 R HA 0.231 4.572 4.340 0.001 0.000 0.272 432 R C -1.438 174.950 176.300 0.147 0.000 1.011 432 R CA -0.976 55.232 56.100 0.180 0.000 0.893 432 R CB 0.539 30.959 30.300 0.200 0.000 1.233 432 R HN 0.554 nan 8.270 nan 0.000 0.464 433 Y N 1.467 121.802 120.300 0.058 0.000 2.425 433 Y HA 0.425 4.976 4.550 0.001 0.000 0.331 433 Y C -0.359 175.541 175.900 0.000 0.000 1.157 433 Y CA 0.271 58.389 58.100 0.031 0.000 1.372 433 Y CB 1.251 39.724 38.460 0.021 0.000 1.253 433 Y HN 0.828 nan 8.280 nan 0.000 0.536 434 A N 5.262 127.654 122.820 -0.713 0.000 2.795 434 A HA 0.616 4.936 4.320 0.001 0.000 0.282 434 A C 0.615 177.793 177.584 -0.677 0.000 0.964 434 A CA 0.097 51.806 52.037 -0.545 0.000 1.045 434 A CB -0.849 17.958 19.000 -0.323 0.000 1.174 434 A HN 1.822 nan 8.150 nan 0.000 0.493 435 G N 0.685 108.673 108.800 -1.353 0.000 2.760 435 G HA2 -0.100 3.861 3.960 0.001 0.000 0.246 435 G HA3 -0.100 3.861 3.960 0.001 0.000 0.246 435 G C -3.016 171.646 174.900 -0.397 0.000 1.359 435 G CA -0.427 44.309 45.100 -0.607 0.000 0.861 435 G HN 0.453 nan 8.290 nan 0.000 0.541 436 P HA 0.261 nan 4.420 nan 0.000 0.271 436 P C 0.516 177.749 177.300 -0.111 0.000 1.226 436 P CA 0.081 63.133 63.100 -0.080 0.000 0.765 436 P CB 1.661 33.358 31.700 -0.006 0.000 0.835 437 E N 4.344 124.437 120.200 -0.177 0.000 2.077 437 E HA -0.152 4.198 4.350 0.001 0.000 0.193 437 E C 0.046 176.633 176.600 -0.021 0.000 0.989 437 E CA 1.766 58.078 56.400 -0.146 0.000 0.800 437 E CB -0.371 29.168 29.700 -0.268 0.000 0.746 437 E HN 0.586 nan 8.360 nan 0.000 0.452 438 Y N -3.045 117.257 120.300 0.004 0.000 2.677 438 Y HA 0.648 5.199 4.550 0.001 0.000 0.334 438 Y C -1.151 174.765 175.900 0.027 0.000 1.196 438 Y CA -1.761 56.345 58.100 0.010 0.000 1.059 438 Y CB 0.583 39.044 38.460 0.002 0.000 1.315 438 Y HN -0.127 nan 8.280 nan 0.000 0.455 439 K N 1.018 121.622 120.400 0.341 0.000 2.562 439 K HA 0.572 4.893 4.320 0.001 0.000 0.267 439 K C -2.623 174.132 176.600 0.258 0.000 0.938 439 K CA -0.858 55.583 56.287 0.257 0.000 0.840 439 K CB 2.110 34.690 32.500 0.134 0.000 1.390 439 K HN 1.042 nan 8.250 nan 0.000 0.428 440 H N 1.871 120.997 119.070 0.094 0.000 3.240 440 H HA 0.220 4.777 4.556 0.001 0.000 0.329 440 H C -1.903 173.447 175.328 0.037 0.000 1.024 440 H CA -0.351 55.725 56.048 0.046 0.000 1.487 440 H CB 1.574 31.345 29.762 0.015 0.000 1.909 440 H HN 0.525 nan 8.280 nan 0.000 0.465 441 Q N 3.657 123.194 119.800 -0.439 0.000 2.563 441 Q HA 0.255 4.595 4.340 0.001 0.000 0.232 441 Q C -0.765 174.902 176.000 -0.555 0.000 1.106 441 Q CA -0.705 54.886 55.803 -0.353 0.000 0.913 441 Q CB 0.556 29.203 28.738 -0.151 0.000 1.175 441 Q HN 0.571 nan 8.270 nan 0.000 0.540 442 E N 3.001 122.829 120.200 -0.619 0.000 2.344 442 E HA 0.144 4.494 4.350 0.001 0.000 0.270 442 E C -0.639 175.870 176.600 -0.153 0.000 1.021 442 E CA -0.372 55.817 56.400 -0.351 0.000 0.887 442 E CB 0.458 30.092 29.700 -0.110 0.000 0.997 442 E HN 0.689 nan 8.360 nan 0.000 0.429 443 M N 4.415 123.966 119.600 -0.082 0.000 2.261 443 M HA 0.161 4.641 4.480 0.001 0.000 0.350 443 M C 1.186 177.465 176.300 -0.034 0.000 1.343 443 M CA 1.730 57.002 55.300 -0.047 0.000 1.003 443 M CB -0.260 32.329 32.600 -0.019 0.000 1.848 443 M HN 0.708 nan 8.290 nan 0.000 0.456 444 G N 2.600 111.381 108.800 -0.031 0.000 2.196 444 G HA2 -0.208 3.752 3.960 0.001 0.000 0.268 444 G HA3 -0.208 3.752 3.960 0.001 0.000 0.268 444 G C 0.014 174.901 174.900 -0.022 0.000 0.975 444 G CA 0.513 45.600 45.100 -0.021 0.000 0.648 444 G HN 0.709 nan 8.290 nan 0.000 0.538 445 Q N -0.332 119.448 119.800 -0.034 0.000 2.359 445 Q HA 0.532 4.873 4.340 0.001 0.000 0.275 445 Q C -2.635 173.346 176.000 -0.032 0.000 1.082 445 Q CA -1.969 53.818 55.803 -0.027 0.000 0.849 445 Q CB 1.162 29.886 28.738 -0.023 0.000 1.377 445 Q HN 0.132 nan 8.270 nan 0.000 0.452 446 P HA -0.018 nan 4.420 nan 0.000 0.268 446 P C -0.012 177.275 177.300 -0.021 0.000 1.204 446 P CA -0.001 63.090 63.100 -0.015 0.000 0.768 446 P CB 0.476 32.173 31.700 -0.004 0.000 0.842 447 N N 1.675 120.362 118.700 -0.022 0.000 2.340 447 N HA 0.077 4.817 4.740 0.001 0.000 0.236 447 N C -1.183 174.334 175.510 0.011 0.000 1.296 447 N CA 0.160 53.197 53.050 -0.022 0.000 0.896 447 N CB 0.436 38.913 38.487 -0.016 0.000 1.127 447 N HN 0.033 nan 8.380 nan 0.000 0.442 448 V N 1.430 121.366 119.914 0.037 0.000 2.524 448 V HA 0.371 4.491 4.120 0.001 0.000 0.297 448 V C -0.834 175.338 176.094 0.129 0.000 1.035 448 V CA -0.576 61.783 62.300 0.097 0.000 0.867 448 V CB 1.381 33.289 31.823 0.142 0.000 1.004 448 V HN 0.687 nan 8.190 nan 0.000 0.426 449 S N 2.411 118.162 115.700 0.086 0.000 2.537 449 S HA 0.867 5.337 4.470 0.001 0.000 0.270 449 S C -0.441 174.115 174.600 -0.073 0.000 1.142 449 S CA -0.704 57.515 58.200 0.031 0.000 0.870 449 S CB 2.514 65.727 63.200 0.022 0.000 1.112 449 S HN 0.959 nan 8.310 nan 0.000 0.466 450 T N -0.934 113.477 114.554 -0.238 0.000 2.900 450 T HA 0.671 5.022 4.350 0.001 0.000 0.303 450 T C -1.045 173.536 174.700 -0.198 0.000 1.142 450 T CA -1.093 60.847 62.100 -0.266 0.000 1.007 450 T CB 1.473 70.040 68.868 -0.502 0.000 1.156 450 T HN 0.660 nan 8.240 nan 0.000 0.490 451 E N 1.373 121.523 120.200 -0.084 0.000 2.319 451 E HA 0.451 4.802 4.350 0.001 0.000 0.268 451 E C -0.316 176.231 176.600 -0.088 0.000 1.050 451 E CA -1.152 55.240 56.400 -0.013 0.000 0.878 451 E CB 1.510 31.318 29.700 0.179 0.000 1.066 451 E HN 0.676 nan 8.360 nan 0.000 0.406 452 R N 1.294 121.699 120.500 -0.158 0.000 2.312 452 R HA 0.267 4.607 4.340 0.001 0.000 0.311 452 R C -0.739 175.514 176.300 -0.079 0.000 1.004 452 R CA -0.684 55.339 56.100 -0.130 0.000 0.902 452 R CB 0.806 30.999 30.300 -0.179 0.000 1.073 452 R HN 0.425 nan 8.270 nan 0.000 0.457 453 R N 2.611 123.152 120.500 0.068 0.000 2.670 453 R HA 0.378 4.719 4.340 0.001 0.000 0.289 453 R C -0.954 175.514 176.300 0.280 0.000 0.965 453 R CA -0.693 55.527 56.100 0.201 0.000 0.899 453 R CB 1.995 32.502 30.300 0.345 0.000 1.173 453 R HN 0.757 nan 8.270 nan 0.000 0.456 454 E N 1.511 121.781 120.200 0.117 0.000 2.317 454 E HA 0.381 4.731 4.350 0.001 0.000 0.270 454 E C -0.993 175.394 176.600 -0.355 0.000 0.885 454 E CA -1.110 55.252 56.400 -0.063 0.000 0.760 454 E CB 2.767 32.296 29.700 -0.286 0.000 1.227 454 E HN 0.105 nan 8.360 nan 0.000 0.434 455 L N 2.637 123.438 121.223 -0.704 0.000 2.280 455 L HA 0.394 4.735 4.340 0.001 0.000 0.287 455 L C -1.417 175.115 176.870 -0.564 0.000 1.023 455 L CA -0.592 53.665 54.840 -0.972 0.000 0.819 455 L CB 1.359 42.389 42.059 -1.716 0.000 1.212 455 L HN 0.318 nan 8.230 nan 0.000 0.420 456 V N 5.590 125.065 119.914 -0.731 0.000 2.547 456 V HA 0.538 4.658 4.120 0.001 0.000 0.299 456 V C -0.400 175.366 176.094 -0.546 0.000 1.040 456 V CA -0.691 61.180 62.300 -0.715 0.000 0.913 456 V CB 1.882 32.985 31.823 -1.199 0.000 0.992 456 V HN 0.492 nan 8.190 nan 0.000 0.449 457 V N 5.380 125.195 119.914 -0.165 0.000 2.376 457 V HA 0.526 4.647 4.120 0.001 0.000 0.287 457 V C -0.021 176.195 176.094 0.202 0.000 1.015 457 V CA -0.604 61.712 62.300 0.028 0.000 0.834 457 V CB 1.424 33.321 31.823 0.122 0.000 1.001 457 V HN 0.889 nan 8.190 nan 0.000 0.428 458 R N 3.755 124.412 120.500 0.262 0.000 2.562 458 R HA 0.614 4.955 4.340 0.001 0.000 0.298 458 R C -1.949 174.635 176.300 0.474 0.000 0.961 458 R CA -0.596 55.746 56.100 0.404 0.000 0.881 458 R CB 1.933 32.509 30.300 0.461 0.000 1.159 458 R HN 0.662 nan 8.270 nan 0.000 0.450 459 W N 6.381 127.867 121.300 0.310 0.000 3.129 459 W HA 0.525 5.186 4.660 0.001 0.000 0.333 459 W C -2.010 174.698 176.519 0.315 0.000 1.141 459 W CA -0.759 56.748 57.345 0.269 0.000 1.224 459 W CB 1.103 30.716 29.460 0.256 0.000 1.393 459 W HN 0.434 nan 8.180 nan 0.000 0.499 460 I N 5.193 125.589 120.570 -0.289 0.000 2.474 460 I HA 0.478 4.649 4.170 0.001 0.000 0.294 460 I C -0.272 175.434 176.117 -0.684 0.000 1.005 460 I CA -0.973 60.087 61.300 -0.400 0.000 1.113 460 I CB 2.099 40.008 38.000 -0.152 0.000 1.289 460 I HN 0.382 nan 8.210 nan 0.000 0.436 461 S N 3.459 118.817 115.700 -0.569 0.000 2.614 461 S HA 0.587 5.058 4.470 0.001 0.000 0.288 461 S C -0.839 173.698 174.600 -0.106 0.000 1.137 461 S CA -0.334 57.649 58.200 -0.361 0.000 0.992 461 S CB 1.542 64.449 63.200 -0.489 0.000 1.026 461 S HN 0.581 nan 8.310 nan 0.000 0.486 462 T N 3.912 118.433 114.554 -0.055 0.000 2.792 462 T HA 0.525 4.876 4.350 0.001 0.000 0.280 462 T C -0.915 173.791 174.700 0.010 0.000 0.990 462 T CA -0.473 61.590 62.100 -0.062 0.000 0.960 462 T CB 1.310 70.121 68.868 -0.096 0.000 0.939 462 T HN 0.477 nan 8.240 nan 0.000 0.439 463 V N 3.742 123.662 119.914 0.009 0.000 2.325 463 V HA 0.655 4.775 4.120 0.001 0.000 0.280 463 V C 1.088 177.159 176.094 -0.039 0.000 1.016 463 V CA 0.161 62.473 62.300 0.020 0.000 0.818 463 V CB 0.159 32.003 31.823 0.036 0.000 1.019 463 V HN 1.243 nan 8.190 nan 0.000 0.434 464 G N 5.628 114.481 108.800 0.089 0.000 2.595 464 G HA2 -0.291 3.670 3.960 0.001 0.000 0.297 464 G HA3 -0.291 3.670 3.960 0.001 0.000 0.297 464 G C 0.290 175.164 174.900 -0.044 0.000 1.181 464 G CA 0.486 45.717 45.100 0.219 0.000 0.963 464 G HN 0.912 nan 8.290 nan 0.000 0.541 468 Y N 0.876 121.031 120.300 -0.242 0.000 2.393 468 Y HA 0.673 5.223 4.550 0.001 0.000 0.341 468 Y C -0.013 175.668 175.900 -0.365 0.000 0.988 468 Y CA -1.053 56.861 58.100 -0.310 0.000 1.078 468 Y CB 1.709 40.135 38.460 -0.058 0.000 1.203 468 Y HN 0.215 nan 8.280 nan 0.000 0.453 469 I N 4.045 124.374 120.570 -0.402 0.000 2.406 469 I HA 0.363 4.534 4.170 0.001 0.000 0.290 469 I C -1.292 174.584 176.117 -0.402 0.000 0.999 469 I CA -0.549 60.582 61.300 -0.282 0.000 1.124 469 I CB 1.103 38.918 38.000 -0.307 0.000 1.289 469 I HN 0.381 nan 8.210 nan 0.000 0.441 470 F N 3.591 123.639 119.950 0.163 0.000 2.467 470 F HA 0.460 4.988 4.527 0.001 0.000 0.336 470 F C -0.294 175.687 175.800 0.302 0.000 1.123 470 F CA -0.726 57.428 58.000 0.257 0.000 0.964 470 F CB 1.513 40.827 39.000 0.523 0.000 1.136 470 F HN 0.326 nan 8.300 nan 0.000 0.447 471 D N 2.278 122.833 120.400 0.259 0.000 2.502 471 D HA 0.237 4.878 4.640 0.001 0.000 0.249 471 D C -1.412 174.803 176.300 -0.141 0.000 1.092 471 D CA -0.274 53.821 54.000 0.158 0.000 0.839 471 D CB 1.465 42.313 40.800 0.081 0.000 1.264 471 D HN 0.366 nan 8.370 nan 0.000 0.511 472 W N 2.590 123.818 121.300 -0.119 0.000 2.278 472 W HA 0.473 5.134 4.660 0.001 0.000 0.317 472 W C -0.042 176.202 176.519 -0.459 0.000 1.030 472 W CA -0.597 56.545 57.345 -0.338 0.000 1.334 472 W CB 0.626 29.903 29.460 -0.305 0.000 1.215 472 W HN 0.140 nan 8.180 nan 0.000 0.405 473 I N 4.399 124.729 120.570 -0.401 0.000 2.307 473 I HA 0.247 4.417 4.170 0.001 0.000 0.289 473 I C -0.684 175.186 176.117 -0.413 0.000 1.021 473 I CA -0.777 60.318 61.300 -0.342 0.000 1.224 473 I CB 0.336 38.207 38.000 -0.214 0.000 1.376 473 I HN 0.137 nan 8.210 nan 0.000 0.470 474 F N 5.117 124.890 119.950 -0.294 0.000 2.368 474 F HA 0.299 4.827 4.527 0.001 0.000 0.362 474 F C 0.986 176.890 175.800 0.173 0.000 1.137 474 F CA -0.313 57.498 58.000 -0.315 0.000 1.161 474 F CB 0.035 38.594 39.000 -0.735 0.000 1.265 474 F HN 0.416 nan 8.300 nan 0.000 0.530 475 H N 2.347 121.617 119.070 0.334 0.000 2.582 475 H HA 0.022 4.579 4.556 0.001 0.000 0.345 475 H C 1.116 176.918 175.328 0.790 0.000 1.104 475 H CA -0.282 56.029 56.048 0.440 0.000 1.390 475 H CB 1.344 31.266 29.762 0.267 0.000 1.461 475 H HN 0.695 nan 8.280 nan 0.000 0.551 476 E N 2.794 123.426 120.200 0.720 0.000 2.160 476 E HA -0.203 4.148 4.350 0.001 0.000 0.195 476 E C 1.096 177.912 176.600 0.361 0.000 0.991 476 E CA 1.252 57.931 56.400 0.466 0.000 0.810 476 E CB 0.013 29.809 29.700 0.160 0.000 0.742 476 E HN 0.759 nan 8.360 nan 0.000 0.466 477 N N -1.403 117.497 118.700 0.334 0.000 2.434 477 N HA 0.014 4.754 4.740 0.001 0.000 0.196 477 N C 1.086 176.675 175.510 0.132 0.000 1.183 477 N CA 0.451 53.597 53.050 0.160 0.000 0.849 477 N CB 0.679 39.233 38.487 0.112 0.000 0.992 477 N HN 0.240 nan 8.380 nan 0.000 0.460 478 G N -0.184 108.860 108.800 0.407 0.000 2.254 478 G HA2 -0.261 3.700 3.960 0.001 0.000 0.225 478 G HA3 -0.261 3.700 3.960 0.001 0.000 0.225 478 G C 0.224 175.488 174.900 0.607 0.000 1.003 478 G CA 0.186 45.532 45.100 0.411 0.000 0.622 478 G HN 0.414 nan 8.290 nan 0.000 0.507 479 T N 1.405 116.160 114.554 0.335 0.000 2.918 479 T HA 0.579 4.930 4.350 0.001 0.000 0.302 479 T C 0.376 175.093 174.700 0.027 0.000 1.045 479 T CA 0.460 62.580 62.100 0.035 0.000 1.114 479 T CB 1.306 69.906 68.868 -0.448 0.000 0.965 479 T HN 0.342 nan 8.240 nan 0.000 0.540 480 I N 1.805 122.320 120.570 -0.091 0.000 2.418 480 I HA 0.506 4.676 4.170 0.001 0.000 0.287 480 I C 0.651 176.592 176.117 -0.294 0.000 1.008 480 I CA -0.748 60.394 61.300 -0.263 0.000 1.104 480 I CB 1.842 39.641 38.000 -0.336 0.000 1.264 480 I HN 0.681 nan 8.210 nan 0.000 0.438 481 G N 6.548 115.185 108.800 -0.273 0.000 2.400 481 G HA2 0.825 4.785 3.960 0.001 0.000 0.333 481 G HA3 0.825 4.785 3.960 0.001 0.000 0.333 481 G C -0.903 173.744 174.900 -0.422 0.000 1.143 481 G CA -0.462 44.496 45.100 -0.237 0.000 0.914 481 G HN 0.503 nan 8.290 nan 0.000 0.480 482 I N 1.593 121.873 120.570 -0.483 0.000 2.503 482 I HA 0.259 4.430 4.170 0.001 0.000 0.282 482 I C -1.419 174.384 176.117 -0.522 0.000 1.059 482 I CA -0.686 60.137 61.300 -0.795 0.000 1.081 482 I CB 2.168 39.347 38.000 -1.369 0.000 1.210 482 I HN 0.217 nan 8.210 nan 0.000 0.450 483 D N 5.050 125.251 120.400 -0.333 0.000 2.350 483 D HA 0.745 5.385 4.640 0.001 0.000 0.245 483 D C -0.579 175.691 176.300 -0.048 0.000 1.036 483 D CA -0.274 53.684 54.000 -0.069 0.000 0.848 483 D CB 2.395 43.263 40.800 0.114 0.000 1.307 483 D HN 0.537 nan 8.370 nan 0.000 0.469 484 A N 0.966 123.682 122.820 -0.172 0.000 2.330 484 A HA 0.766 5.086 4.320 0.001 0.000 0.313 484 A C 0.095 177.243 177.584 -0.726 0.000 1.124 484 A CA -0.638 51.004 52.037 -0.658 0.000 0.774 484 A CB 1.365 19.631 19.000 -1.224 0.000 1.198 484 A HN 0.489 nan 8.150 nan 0.000 0.465 485 G N 0.250 108.368 108.800 -1.137 0.000 2.432 485 G HA2 0.765 4.726 3.960 0.001 0.000 0.331 485 G HA3 0.765 4.726 3.960 0.001 0.000 0.331 485 G C -0.545 173.825 174.900 -0.884 0.000 1.170 485 G CA -0.028 44.096 45.100 -1.626 0.000 0.943 485 G HN 1.633 nan 8.290 nan 0.000 0.483 486 A N 0.550 122.918 122.820 -0.753 0.000 2.398 486 A HA 0.901 5.222 4.320 0.001 0.000 0.301 486 A C -0.262 177.006 177.584 -0.526 0.000 1.041 486 A CA -0.254 51.460 52.037 -0.538 0.000 0.711 486 A CB 2.122 20.869 19.000 -0.423 0.000 1.240 486 A HN 1.268 nan 8.150 nan 0.000 0.420 487 T N 0.246 114.486 114.554 -0.524 0.000 2.626 487 T HA 0.853 5.204 4.350 0.001 0.000 0.299 487 T C 0.215 174.654 174.700 -0.434 0.000 1.181 487 T CA 0.921 62.779 62.100 -0.405 0.000 1.053 487 T CB 0.913 69.568 68.868 -0.354 0.000 1.566 487 T HN 2.786 nan 8.240 nan 0.000 0.486 488 G N 0.439 109.002 108.800 -0.396 0.000 2.342 488 G HA2 0.144 4.105 3.960 0.001 0.000 0.220 488 G HA3 0.144 4.105 3.960 0.001 0.000 0.220 488 G C -1.783 172.840 174.900 -0.462 0.000 1.243 488 G CA -0.256 44.560 45.100 -0.473 0.000 1.083 488 G HN 0.872 nan 8.290 nan 0.000 0.500 489 I N 0.963 121.204 120.570 -0.548 0.000 2.433 489 I HA 0.492 4.662 4.170 0.001 0.000 0.292 489 I C 0.483 176.399 176.117 -0.335 0.000 1.001 489 I CA -1.011 60.000 61.300 -0.481 0.000 1.119 489 I CB 1.203 38.776 38.000 -0.712 0.000 1.289 489 I HN 0.723 nan 8.210 nan 0.000 0.438 490 E N 3.115 123.324 120.200 0.015 0.000 2.392 490 E HA 0.374 4.724 4.350 0.001 0.000 0.264 490 E C -0.053 176.621 176.600 0.124 0.000 1.024 490 E CA -0.219 56.250 56.400 0.115 0.000 0.903 490 E CB 0.913 30.779 29.700 0.275 0.000 0.963 490 E HN 0.719 nan 8.360 nan 0.000 0.432 491 A N 3.591 126.476 122.820 0.109 0.000 2.350 491 A HA 0.380 4.700 4.320 0.001 0.000 0.293 491 A C -0.273 177.564 177.584 0.421 0.000 1.231 491 A CA -0.574 51.614 52.037 0.251 0.000 0.883 491 A CB -0.229 18.869 19.000 0.162 0.000 1.133 491 A HN 0.410 nan 8.150 nan 0.000 0.533 492 V N 0.542 120.717 119.914 0.434 0.000 2.881 492 V HA 0.710 4.831 4.120 0.001 0.000 0.316 492 V C -0.204 176.186 176.094 0.494 0.000 1.070 492 V CA -1.106 61.370 62.300 0.294 0.000 0.976 492 V CB 1.653 33.428 31.823 -0.080 0.000 1.038 492 V HN 0.828 nan 8.190 nan 0.000 0.446 493 K N 1.665 122.216 120.400 0.251 0.000 2.182 493 K HA 0.666 4.987 4.320 0.001 0.000 0.262 493 K C 0.159 176.839 176.600 0.133 0.000 0.957 493 K CA -0.254 56.201 56.287 0.279 0.000 0.842 493 K CB 1.486 33.921 32.500 -0.108 0.000 1.099 493 K HN 1.199 nan 8.250 nan 0.000 0.438 494 G N 2.430 111.335 108.800 0.174 0.000 2.370 494 G HA2 0.435 4.395 3.960 0.001 0.000 0.272 494 G HA3 0.435 4.395 3.960 0.001 0.000 0.272 494 G C -0.525 174.418 174.900 0.071 0.000 1.208 494 G CA -0.421 44.746 45.100 0.112 0.000 0.856 494 G HN 0.493 nan 8.290 nan 0.000 0.500 495 V N 0.030 119.970 119.914 0.044 0.000 3.130 495 V HA 0.591 4.712 4.120 0.001 0.000 0.310 495 V C 0.712 176.825 176.094 0.032 0.000 1.158 495 V CA -1.143 61.172 62.300 0.026 0.000 1.029 495 V CB 2.120 33.940 31.823 -0.004 0.000 1.057 495 V HN 0.664 nan 8.190 nan 0.000 0.436 496 K N 1.196 121.611 120.400 0.024 0.000 2.243 496 K HA 0.352 4.673 4.320 0.001 0.000 0.201 496 K C 1.048 177.661 176.600 0.021 0.000 1.051 496 K CA 1.093 57.395 56.287 0.024 0.000 0.970 496 K CB 0.057 32.567 32.500 0.017 0.000 0.755 496 K HN 0.940 nan 8.250 nan 0.000 0.465 497 A N 1.930 124.758 122.820 0.014 0.000 2.462 497 A HA 0.033 4.354 4.320 0.001 0.000 0.243 497 A C 0.668 178.275 177.584 0.039 0.000 1.076 497 A CA 0.143 52.190 52.037 0.017 0.000 0.773 497 A CB 0.410 19.413 19.000 0.006 0.000 1.010 497 A HN 0.164 nan 8.150 nan 0.000 0.493 498 K N -0.114 120.309 120.400 0.038 0.000 2.335 498 K HA 0.082 4.403 4.320 0.001 0.000 0.195 498 K C 0.658 177.362 176.600 0.172 0.000 1.058 498 K CA 1.274 57.599 56.287 0.062 0.000 0.988 498 K CB 0.325 32.748 32.500 -0.127 0.000 0.880 498 K HN 0.914 nan 8.250 nan 0.000 0.513 499 T N -3.025 111.591 114.554 0.104 0.000 2.838 499 T HA 0.258 4.608 4.350 0.001 0.000 0.292 499 T C 0.596 175.319 174.700 0.038 0.000 1.113 499 T CA -0.830 61.346 62.100 0.126 0.000 1.008 499 T CB 1.289 70.285 68.868 0.212 0.000 1.259 499 T HN -0.273 nan 8.240 nan 0.000 0.520 500 M N 0.501 120.069 119.600 -0.054 0.000 2.686 500 M HA 0.076 4.557 4.480 0.001 0.000 0.246 500 M C 0.975 177.123 176.300 -0.254 0.000 1.096 500 M CA 1.034 56.230 55.300 -0.172 0.000 1.076 500 M CB -1.683 30.774 32.600 -0.239 0.000 1.504 500 M HN 0.734 nan 8.290 nan 0.000 0.524 501 H N -0.725 118.346 119.070 0.002 0.000 2.539 501 H HA 0.125 4.682 4.556 0.001 0.000 0.269 501 H C -0.003 175.321 175.328 -0.007 0.000 0.980 501 H CA -0.144 55.902 56.048 -0.003 0.000 1.152 501 H CB 0.208 29.970 29.762 0.000 0.000 1.407 501 H HN 0.203 nan 8.280 nan 0.000 0.564 502 D N 0.551 120.996 120.400 0.074 0.000 2.313 502 D HA -0.008 4.633 4.640 0.001 0.000 0.247 502 D C 1.045 177.354 176.300 0.015 0.000 1.094 502 D CA -0.049 53.975 54.000 0.040 0.000 0.925 502 D CB 1.043 41.859 40.800 0.026 0.000 1.188 502 D HN 0.337 nan 8.370 nan 0.000 0.430 503 E N -0.155 120.051 120.200 0.011 0.000 2.130 503 E HA -0.179 4.172 4.350 0.001 0.000 0.196 503 E C 1.436 178.030 176.600 -0.010 0.000 0.998 503 E CA 1.500 57.900 56.400 0.001 0.000 0.806 503 E CB 0.034 29.735 29.700 0.001 0.000 0.738 503 E HN 0.533 nan 8.360 nan 0.000 0.459 504 T N -2.282 112.266 114.554 -0.010 0.000 3.144 504 T HA 0.405 4.756 4.350 0.001 0.000 0.249 504 T C 1.707 176.388 174.700 -0.032 0.000 1.089 504 T CA 0.296 62.385 62.100 -0.018 0.000 0.989 504 T CB 0.449 69.311 68.868 -0.010 0.000 0.992 504 T HN 0.143 nan 8.240 nan 0.000 0.540 505 A N 3.004 125.804 122.820 -0.033 0.000 1.884 505 A HA -0.203 4.118 4.320 0.001 0.000 0.219 505 A C 2.385 179.925 177.584 -0.073 0.000 1.197 505 A CA 1.965 53.972 52.037 -0.050 0.000 0.637 505 A CB -0.789 18.176 19.000 -0.059 0.000 0.827 505 A HN 0.436 nan 8.150 nan 0.000 0.450 506 K N -0.336 120.018 120.400 -0.075 0.000 2.032 506 K HA -0.216 4.104 4.320 0.001 0.000 0.209 506 K C 1.430 177.960 176.600 -0.115 0.000 1.048 506 K CA 2.161 58.392 56.287 -0.093 0.000 0.927 506 K CB -0.565 31.888 32.500 -0.078 0.000 0.712 506 K HN 0.506 nan 8.250 nan 0.000 0.441 507 D N 0.932 121.275 120.400 -0.094 0.000 2.183 507 D HA -0.112 4.529 4.640 0.001 0.000 0.203 507 D C 1.479 177.711 176.300 -0.114 0.000 0.969 507 D CA 0.826 54.763 54.000 -0.106 0.000 0.842 507 D CB -0.128 40.638 40.800 -0.058 0.000 0.957 507 D HN 0.276 nan 8.370 nan 0.000 0.484 508 D N 0.053 120.402 120.400 -0.084 0.000 2.219 508 D HA -0.090 4.550 4.640 0.001 0.000 0.205 508 D C 1.767 178.000 176.300 -0.111 0.000 0.970 508 D CA 1.076 55.031 54.000 -0.074 0.000 0.851 508 D CB -0.166 40.603 40.800 -0.051 0.000 0.943 508 D HN 0.299 nan 8.370 nan 0.000 0.488 509 T N -2.461 112.008 114.554 -0.141 0.000 3.186 509 T HA 0.189 4.540 4.350 0.001 0.000 0.257 509 T C 1.439 175.999 174.700 -0.233 0.000 1.029 509 T CA -0.481 61.523 62.100 -0.160 0.000 0.916 509 T CB 0.537 69.327 68.868 -0.130 0.000 1.041 509 T HN -0.034 nan 8.240 nan 0.000 0.562 510 R N 0.305 120.585 120.500 -0.366 0.000 2.115 510 R HA -0.024 4.317 4.340 0.001 0.000 0.230 510 R C 0.413 176.310 176.300 -0.673 0.000 1.111 510 R CA 1.225 56.969 56.100 -0.593 0.000 0.976 510 R CB -0.071 29.710 30.300 -0.865 0.000 0.870 510 R HN 0.580 nan 8.270 nan 0.000 0.445 511 Y N -1.362 118.856 120.300 -0.136 0.000 2.636 511 Y HA 0.498 5.049 4.550 0.001 0.000 0.260 511 Y C 0.494 176.284 175.900 -0.182 0.000 1.177 511 Y CA -0.035 57.970 58.100 -0.158 0.000 1.209 511 Y CB 1.365 39.718 38.460 -0.179 0.000 1.166 511 Y HN 0.118 nan 8.280 nan 0.000 0.531 512 G N -0.851 107.890 108.800 -0.100 0.000 2.355 512 G HA2 0.334 4.294 3.960 0.001 0.000 0.296 512 G HA3 0.334 4.294 3.960 0.001 0.000 0.296 512 G C -1.211 173.614 174.900 -0.126 0.000 1.507 512 G CA -0.997 44.032 45.100 -0.118 0.000 0.823 512 G HN -0.169 nan 8.290 nan 0.000 0.569 513 T N 0.532 115.015 114.554 -0.118 0.000 2.910 513 T HA 0.422 4.773 4.350 0.001 0.000 0.293 513 T C 0.216 174.847 174.700 -0.115 0.000 1.015 513 T CA -0.220 61.819 62.100 -0.102 0.000 1.094 513 T CB 1.533 70.356 68.868 -0.076 0.000 0.968 513 T HN 0.643 nan 8.240 nan 0.000 0.521 514 L N 4.780 125.943 121.223 -0.099 0.000 2.363 514 L HA 0.328 4.668 4.340 0.001 0.000 0.286 514 L C 0.886 177.694 176.870 -0.104 0.000 1.106 514 L CA 0.036 54.816 54.840 -0.101 0.000 0.859 514 L CB -0.541 41.480 42.059 -0.064 0.000 1.223 514 L HN 0.708 nan 8.230 nan 0.000 0.446 515 I N -0.033 120.433 120.570 -0.172 0.000 3.883 515 I HA 0.431 4.601 4.170 0.001 0.000 0.326 515 I C -0.107 175.898 176.117 -0.188 0.000 1.283 515 I CA 0.061 61.264 61.300 -0.161 0.000 1.161 515 I CB 0.015 37.904 38.000 -0.187 0.000 1.012 515 I HN 0.472 nan 8.210 nan 0.000 0.421 516 D N -0.107 120.166 120.400 -0.212 0.000 2.755 516 D HA 0.222 4.863 4.640 0.001 0.000 0.277 516 D C -1.046 175.206 176.300 -0.080 0.000 1.261 516 D CA -0.553 53.343 54.000 -0.174 0.000 0.759 516 D CB 1.048 41.747 40.800 -0.168 0.000 1.279 516 D HN 0.200 nan 8.370 nan 0.000 0.420 517 H N 1.235 120.327 119.070 0.035 0.000 3.070 517 H HA 0.152 4.709 4.556 0.001 0.000 0.313 517 H C 0.448 175.790 175.328 0.022 0.000 0.997 517 H CA 0.786 56.856 56.048 0.035 0.000 1.438 517 H CB -0.067 29.735 29.762 0.066 0.000 1.455 517 H HN 0.364 nan 8.280 nan 0.000 0.575 518 N N 0.996 119.773 118.700 0.129 0.000 2.753 518 N HA -0.207 4.533 4.740 0.001 0.000 0.251 518 N C -1.129 174.392 175.510 0.018 0.000 1.097 518 N CA 0.851 53.943 53.050 0.070 0.000 0.786 518 N CB -0.881 37.666 38.487 0.099 0.000 1.137 518 N HN 0.467 nan 8.380 nan 0.000 0.566 519 I N 0.378 120.914 120.570 -0.056 0.000 2.499 519 I HA 0.391 4.562 4.170 0.001 0.000 0.288 519 I C -0.531 175.444 176.117 -0.235 0.000 1.048 519 I CA -0.933 60.259 61.300 -0.179 0.000 1.062 519 I CB 1.958 39.742 38.000 -0.361 0.000 1.238 519 I HN -0.245 nan 8.210 nan 0.000 0.426 520 V N 4.874 124.670 119.914 -0.197 0.000 2.417 520 V HA 0.472 4.592 4.120 0.001 0.000 0.291 520 V C 0.600 176.569 176.094 -0.209 0.000 1.024 520 V CA -0.548 61.635 62.300 -0.196 0.000 0.861 520 V CB 1.805 33.532 31.823 -0.161 0.000 0.985 520 V HN 0.873 nan 8.190 nan 0.000 0.436 521 G N 2.890 111.569 108.800 -0.203 0.000 2.770 521 G HA2 0.283 4.244 3.960 0.001 0.000 0.307 521 G HA3 0.283 4.244 3.960 0.001 0.000 0.307 521 G C 0.355 175.185 174.900 -0.116 0.000 0.863 521 G CA -0.167 44.846 45.100 -0.146 0.000 1.595 521 G HN 0.669 nan 8.290 nan 0.000 0.496 522 T N 2.313 116.795 114.554 -0.120 0.000 2.849 522 T HA 0.037 4.387 4.350 0.001 0.000 0.289 522 T C 1.166 175.910 174.700 0.072 0.000 1.010 522 T CA 0.455 62.468 62.100 -0.145 0.000 1.161 522 T CB 0.373 68.935 68.868 -0.510 0.000 0.989 522 T HN 0.404 nan 8.240 nan 0.000 0.523 523 T N 5.522 120.056 114.554 -0.032 0.000 2.946 523 T HA 0.194 4.545 4.350 0.001 0.000 0.311 523 T C 0.327 174.976 174.700 -0.085 0.000 1.063 523 T CA -0.006 62.024 62.100 -0.116 0.000 1.139 523 T CB -0.062 68.730 68.868 -0.126 0.000 0.994 523 T HN 0.859 nan 8.240 nan 0.000 0.547 524 H N 0.228 119.086 119.070 -0.353 0.000 2.932 524 H HA 0.475 5.032 4.556 0.001 0.000 0.307 524 H C -1.347 173.747 175.328 -0.390 0.000 1.391 524 H CA -1.112 54.620 56.048 -0.527 0.000 1.130 524 H CB 1.004 30.018 29.762 -1.246 0.000 1.836 524 H HN 0.534 nan 8.280 nan 0.000 0.522 525 Q N 0.059 119.654 119.800 -0.341 0.000 2.416 525 Q HA 0.391 4.731 4.340 0.001 0.000 0.279 525 Q C -0.968 174.842 176.000 -0.317 0.000 1.101 525 Q CA -1.032 54.603 55.803 -0.279 0.000 0.830 525 Q CB 2.698 31.370 28.738 -0.111 0.000 1.402 525 Q HN 0.502 nan 8.270 nan 0.000 0.445 526 H N 1.102 120.143 119.070 -0.049 0.000 2.708 526 H HA 0.450 5.007 4.556 0.001 0.000 0.320 526 H C -0.941 174.212 175.328 -0.292 0.000 0.991 526 H CA -0.274 55.678 56.048 -0.160 0.000 1.243 526 H CB 0.750 30.481 29.762 -0.051 0.000 1.446 526 H HN 0.446 nan 8.280 nan 0.000 0.502 527 I N 4.781 125.190 120.570 -0.267 0.000 2.382 527 I HA 0.194 4.364 4.170 0.001 0.000 0.286 527 I C -0.801 175.189 176.117 -0.212 0.000 1.002 527 I CA -0.691 60.518 61.300 -0.152 0.000 1.135 527 I CB 0.819 38.786 38.000 -0.054 0.000 1.288 527 I HN 0.344 nan 8.210 nan 0.000 0.448 528 Y N 4.285 124.660 120.300 0.126 0.000 2.420 528 Y HA 0.500 5.051 4.550 0.001 0.000 0.334 528 Y C 0.057 175.942 175.900 -0.025 0.000 1.094 528 Y CA -1.000 57.105 58.100 0.008 0.000 1.126 528 Y CB 1.343 39.771 38.460 -0.053 0.000 1.217 528 Y HN 0.496 nan 8.280 nan 0.000 0.462 529 N N 1.027 119.703 118.700 -0.039 0.000 2.295 529 N HA 0.548 5.288 4.740 0.001 0.000 0.293 529 N C -2.181 173.171 175.510 -0.263 0.000 1.040 529 N CA -0.469 52.590 53.050 0.015 0.000 0.840 529 N CB 0.965 39.532 38.487 0.133 0.000 1.468 529 N HN 0.381 nan 8.380 nan 0.000 0.478 530 F N 1.439 121.525 119.950 0.226 0.000 2.444 530 F HA 0.453 4.981 4.527 0.001 0.000 0.342 530 F C 0.636 176.465 175.800 0.048 0.000 1.121 530 F CA -0.807 57.280 58.000 0.146 0.000 0.997 530 F CB 1.559 40.605 39.000 0.077 0.000 1.130 530 F HN 0.293 nan 8.300 nan 0.000 0.454 531 R N 5.017 125.554 120.500 0.061 0.000 2.204 531 R HA 0.550 4.890 4.340 0.001 0.000 0.341 531 R C -1.694 174.453 176.300 -0.255 0.000 1.035 531 R CA -0.315 55.522 56.100 -0.438 0.000 0.887 531 R CB 0.200 30.086 30.300 -0.689 0.000 1.114 531 R HN 0.784 nan 8.270 nan 0.000 0.473 532 L N 4.579 125.639 121.223 -0.271 0.000 2.337 532 L HA 0.253 4.594 4.340 0.001 0.000 0.269 532 L C -0.421 176.363 176.870 -0.143 0.000 1.018 532 L CA -0.813 53.953 54.840 -0.122 0.000 0.876 532 L CB 1.537 43.583 42.059 -0.021 0.000 1.236 532 L HN 0.528 nan 8.230 nan 0.000 0.436 533 D N 4.518 124.847 120.400 -0.118 0.000 2.508 533 D HA 0.249 4.890 4.640 0.001 0.000 0.224 533 D C -0.180 176.140 176.300 0.032 0.000 1.171 533 D CA 0.008 53.989 54.000 -0.032 0.000 1.006 533 D CB 0.235 41.053 40.800 0.030 0.000 1.073 533 D HN 0.305 nan 8.370 nan 0.000 0.513 534 L N 2.089 123.324 121.223 0.020 0.000 2.395 534 L HA 0.341 4.682 4.340 0.001 0.000 0.269 534 L C 0.136 177.055 176.870 0.082 0.000 1.133 534 L CA -0.351 54.508 54.840 0.032 0.000 0.812 534 L CB 0.920 42.966 42.059 -0.021 0.000 1.125 534 L HN 0.146 nan 8.230 nan 0.000 0.452 535 D N 1.745 122.219 120.400 0.123 0.000 2.363 535 D HA 0.170 4.811 4.640 0.001 0.000 0.258 535 D C -0.584 175.782 176.300 0.110 0.000 1.259 535 D CA -0.238 53.840 54.000 0.129 0.000 0.921 535 D CB 1.688 42.618 40.800 0.216 0.000 1.201 535 D HN 0.013 nan 8.370 nan 0.000 0.524 536 V N 2.441 122.425 119.914 0.116 0.000 2.382 536 V HA -0.008 4.113 4.120 0.001 0.000 0.250 536 V C 0.971 177.185 176.094 0.201 0.000 1.069 536 V CA 0.139 62.572 62.300 0.222 0.000 1.130 536 V CB -0.139 31.842 31.823 0.262 0.000 1.165 536 V HN 0.559 nan 8.190 nan 0.000 0.483 537 D N 3.283 123.819 120.400 0.225 0.000 2.911 537 D HA -0.126 4.515 4.640 0.001 0.000 0.227 537 D C 0.338 176.600 176.300 -0.062 0.000 1.164 537 D CA 1.762 55.782 54.000 0.033 0.000 0.782 537 D CB -1.006 39.697 40.800 -0.162 0.000 1.094 537 D HN 1.209 nan 8.370 nan 0.000 0.425 538 G N -1.654 107.106 108.800 -0.066 0.000 2.350 538 G HA2 0.206 4.166 3.960 0.001 0.000 0.304 538 G HA3 0.206 4.166 3.960 0.001 0.000 0.304 538 G C 0.091 174.958 174.900 -0.055 0.000 1.421 538 G CA 0.160 45.196 45.100 -0.107 0.000 0.934 538 G HN 0.009 nan 8.290 nan 0.000 0.632 539 E N -0.081 120.082 120.200 -0.062 0.000 2.046 539 E HA 0.010 4.360 4.350 0.001 0.000 0.190 539 E C 1.081 177.679 176.600 -0.003 0.000 0.982 539 E CA 0.747 57.132 56.400 -0.026 0.000 0.800 539 E CB 0.031 29.706 29.700 -0.041 0.000 0.756 539 E HN 0.392 nan 8.360 nan 0.000 0.449 540 N N 2.157 120.854 118.700 -0.006 0.000 2.399 540 N HA 0.068 4.809 4.740 0.001 0.000 0.259 540 N C -0.742 174.780 175.510 0.020 0.000 1.160 540 N CA 0.159 53.215 53.050 0.010 0.000 0.946 540 N CB 0.431 38.921 38.487 0.005 0.000 1.156 540 N HN 0.110 nan 8.380 nan 0.000 0.489 541 N N 0.143 118.864 118.700 0.034 0.000 2.577 541 N HA 0.466 5.207 4.740 0.001 0.000 0.285 541 N C -0.744 174.793 175.510 0.045 0.000 1.309 541 N CA -0.455 52.621 53.050 0.044 0.000 0.798 541 N CB 1.422 39.945 38.487 0.059 0.000 1.463 541 N HN 0.180 nan 8.380 nan 0.000 0.518 542 S N 0.209 115.935 115.700 0.044 0.000 2.546 542 S HA 0.448 4.918 4.470 0.001 0.000 0.274 542 S C -1.231 173.388 174.600 0.033 0.000 1.121 542 S CA -0.579 57.645 58.200 0.039 0.000 0.887 542 S CB 1.944 65.162 63.200 0.030 0.000 1.094 542 S HN 0.422 nan 8.310 nan 0.000 0.474 543 L N 3.341 124.583 121.223 0.031 0.000 2.276 543 L HA 0.696 5.037 4.340 0.001 0.000 0.286 543 L C -1.119 175.734 176.870 -0.028 0.000 1.061 543 L CA -0.064 54.785 54.840 0.015 0.000 0.807 543 L CB 0.738 42.821 42.059 0.039 0.000 1.177 543 L HN 0.475 nan 8.230 nan 0.000 0.429 544 V N 4.523 124.390 119.914 -0.077 0.000 2.680 544 V HA 0.861 4.982 4.120 0.001 0.000 0.309 544 V C -0.062 175.883 176.094 -0.248 0.000 1.052 544 V CA -0.567 61.642 62.300 -0.152 0.000 0.908 544 V CB 1.520 33.262 31.823 -0.134 0.000 1.001 544 V HN 0.958 nan 8.190 nan 0.000 0.431 545 A N 5.466 128.029 122.820 -0.428 0.000 2.318 545 A HA 0.932 5.253 4.320 0.001 0.000 0.324 545 A C -0.614 176.658 177.584 -0.519 0.000 1.170 545 A CA -0.577 51.127 52.037 -0.554 0.000 0.810 545 A CB 0.999 19.376 19.000 -1.038 0.000 1.198 545 A HN 0.832 nan 8.150 nan 0.000 0.484 546 M N 2.934 122.339 119.600 -0.324 0.000 2.022 546 M HA 0.270 4.751 4.480 0.001 0.000 0.298 546 M C -1.543 174.692 176.300 -0.108 0.000 0.909 546 M CA -0.442 54.740 55.300 -0.197 0.000 0.914 546 M CB 1.638 34.129 32.600 -0.182 0.000 1.486 546 M HN 0.517 nan 8.290 nan 0.000 0.415 547 D N 5.015 125.401 120.400 -0.023 0.000 2.373 547 D HA 0.355 4.995 4.640 0.001 0.000 0.227 547 D C -2.466 173.855 176.300 0.034 0.000 1.091 547 D CA -1.404 52.610 54.000 0.023 0.000 0.840 547 D CB 1.196 42.056 40.800 0.099 0.000 1.060 547 D HN 0.158 nan 8.370 nan 0.000 0.502 548 P HA 0.029 nan 4.420 nan 0.000 0.267 548 P C -0.375 176.943 177.300 0.030 0.000 1.205 548 P CA -0.214 62.906 63.100 0.033 0.000 0.765 548 P CB 0.850 32.570 31.700 0.034 0.000 0.828 549 V N 1.023 120.957 119.914 0.033 0.000 3.181 549 V HA 0.597 4.718 4.120 0.001 0.000 0.308 549 V C -0.772 175.336 176.094 0.023 0.000 1.214 549 V CA -1.093 61.222 62.300 0.027 0.000 1.053 549 V CB 2.163 34.004 31.823 0.029 0.000 1.069 549 V HN 0.084 nan 8.190 nan 0.000 0.441 550 V N 2.217 122.142 119.914 0.018 0.000 2.370 550 V HA 0.552 4.673 4.120 0.001 0.000 0.279 550 V C 0.101 176.203 176.094 0.014 0.000 1.029 550 V CA -0.420 61.889 62.300 0.015 0.000 0.870 550 V CB 1.025 32.855 31.823 0.012 0.000 0.984 550 V HN 0.922 nan 8.190 nan 0.000 0.451 551 K N 5.026 125.434 120.400 0.014 0.000 2.328 551 K HA 0.551 4.872 4.320 0.001 0.000 0.246 551 K C -2.818 173.788 176.600 0.010 0.000 0.955 551 K CA -2.038 54.257 56.287 0.012 0.000 0.817 551 K CB 2.437 34.945 32.500 0.014 0.000 1.208 551 K HN 0.286 nan 8.250 nan 0.000 0.432 552 P HA -0.053 nan 4.420 nan 0.000 0.266 552 P C -0.699 176.605 177.300 0.007 0.000 1.195 552 P CA 0.023 63.127 63.100 0.007 0.000 0.768 552 P CB 0.326 32.029 31.700 0.005 0.000 0.838 553 N N 1.519 120.223 118.700 0.007 0.000 2.442 553 N HA 0.080 4.820 4.740 0.001 0.000 0.265 553 N C 0.301 175.814 175.510 0.006 0.000 1.138 553 N CA -0.063 52.991 53.050 0.007 0.000 0.956 553 N CB 0.306 38.797 38.487 0.006 0.000 1.067 553 N HN 0.389 nan 8.380 nan 0.000 0.474 554 T N 0.143 114.701 114.554 0.006 0.000 3.182 554 T HA 0.307 4.657 4.350 0.001 0.000 0.277 554 T C 0.775 175.478 174.700 0.005 0.000 1.013 554 T CA -0.343 61.760 62.100 0.006 0.000 0.900 554 T CB 0.510 69.382 68.868 0.006 0.000 1.098 554 T HN 0.402 nan 8.240 nan 0.000 0.543 555 A N 0.758 123.582 122.820 0.005 0.000 2.430 555 A HA 0.770 5.091 4.320 0.001 0.000 0.243 555 A C 1.370 178.956 177.584 0.004 0.000 1.254 555 A CA 0.095 52.135 52.037 0.005 0.000 0.914 555 A CB -0.636 18.368 19.000 0.005 0.000 0.998 555 A HN 1.440 nan 8.150 nan 0.000 0.515 556 G N -1.712 107.091 108.800 0.004 0.000 2.795 556 G HA2 0.472 4.432 3.960 0.001 0.000 0.664 556 G HA3 0.472 4.432 3.960 0.001 0.000 0.664 556 G C 0.728 175.630 174.900 0.003 0.000 1.381 556 G CA -0.125 44.977 45.100 0.003 0.000 0.853 556 G HN 2.520 nan 8.290 nan 0.000 0.545 557 G N -1.138 107.664 108.800 0.003 0.000 2.655 557 G HA2 0.337 4.297 3.960 0.001 0.000 0.680 557 G HA3 0.337 4.297 3.960 0.001 0.000 0.680 557 G C -0.793 174.109 174.900 0.003 0.000 1.302 557 G CA 0.446 45.548 45.100 0.003 0.000 0.872 557 G HN 1.431 nan 8.290 nan 0.000 0.540 558 P HA 0.031 nan 4.420 nan 0.000 0.220 558 P C 0.949 178.251 177.300 0.004 0.000 1.148 558 P CA 0.678 63.779 63.100 0.003 0.000 0.803 558 P CB 0.066 31.767 31.700 0.003 0.000 0.782 559 R N 0.186 120.689 120.500 0.004 0.000 2.590 559 R HA 0.091 4.432 4.340 0.001 0.000 0.274 559 R C 1.442 177.745 176.300 0.005 0.000 1.061 559 R CA 0.928 57.031 56.100 0.005 0.000 1.081 559 R CB -0.155 30.148 30.300 0.006 0.000 0.984 559 R HN 0.228 nan 8.270 nan 0.000 0.448 560 T N -2.680 111.877 114.554 0.005 0.000 3.037 560 T HA 0.035 4.385 4.350 0.001 0.000 0.252 560 T C 0.816 175.519 174.700 0.006 0.000 1.073 560 T CA 0.225 62.328 62.100 0.005 0.000 1.091 560 T CB 0.230 69.101 68.868 0.004 0.000 0.935 560 T HN 0.547 nan 8.240 nan 0.000 0.488 561 S N 0.841 116.545 115.700 0.007 0.000 2.661 561 S HA 0.751 5.221 4.470 0.001 0.000 0.285 561 S C -0.557 174.049 174.600 0.009 0.000 1.138 561 S CA -0.454 57.751 58.200 0.008 0.000 0.855 561 S CB 1.984 65.189 63.200 0.008 0.000 1.136 561 S HN 0.698 nan 8.310 nan 0.000 0.484 562 T N -1.761 112.800 114.554 0.011 0.000 2.883 562 T HA 0.679 5.030 4.350 0.001 0.000 0.296 562 T C -0.884 173.825 174.700 0.016 0.000 1.117 562 T CA -0.959 61.148 62.100 0.013 0.000 1.006 562 T CB 1.236 70.112 68.868 0.013 0.000 1.191 562 T HN 0.656 nan 8.240 nan 0.000 0.508 563 M N 2.185 121.796 119.600 0.019 0.000 2.088 563 M HA 0.437 4.917 4.480 0.001 0.000 0.346 563 M C -0.219 176.097 176.300 0.028 0.000 1.111 563 M CA -0.439 54.874 55.300 0.023 0.000 1.017 563 M CB 1.419 34.034 32.600 0.024 0.000 1.568 563 M HN 0.631 nan 8.290 nan 0.000 0.445 564 Q N 1.453 121.271 119.800 0.031 0.000 2.587 564 Q HA 0.796 5.137 4.340 0.001 0.000 0.293 564 Q C -1.346 174.680 176.000 0.043 0.000 1.083 564 Q CA -1.084 54.741 55.803 0.036 0.000 0.792 564 Q CB 3.395 32.152 28.738 0.031 0.000 1.484 564 Q HN 0.466 nan 8.270 nan 0.000 0.446 565 V N 1.693 121.637 119.914 0.049 0.000 2.540 565 V HA 0.344 4.465 4.120 0.001 0.000 0.302 565 V C -0.927 175.207 176.094 0.066 0.000 1.035 565 V CA -0.956 61.377 62.300 0.055 0.000 0.873 565 V CB 1.923 33.781 31.823 0.058 0.000 0.992 565 V HN 0.636 nan 8.190 nan 0.000 0.428 566 N N 4.020 122.773 118.700 0.088 0.000 2.439 566 N HA 0.284 5.024 4.740 0.001 0.000 0.249 566 N C -0.560 175.055 175.510 0.175 0.000 1.003 566 N CA -0.101 53.037 53.050 0.146 0.000 0.942 566 N CB 1.805 40.401 38.487 0.181 0.000 1.115 566 N HN 0.755 nan 8.380 nan 0.000 0.505 567 Q N 2.966 122.854 119.800 0.146 0.000 2.316 567 Q HA 0.420 4.760 4.340 0.001 0.000 0.264 567 Q C -1.590 174.509 176.000 0.164 0.000 0.987 567 Q CA -0.752 55.078 55.803 0.044 0.000 0.852 567 Q CB 0.879 29.625 28.738 0.014 0.000 1.287 567 Q HN 0.595 nan 8.270 nan 0.000 0.448 568 Y N 0.264 120.560 120.300 -0.006 0.000 2.592 568 Y HA 0.502 5.053 4.550 0.001 0.000 0.334 568 Y C -1.487 174.413 175.900 -0.001 0.000 1.136 568 Y CA -1.485 56.614 58.100 -0.001 0.000 1.042 568 Y CB 0.619 39.079 38.460 0.000 0.000 1.325 568 Y HN 0.512 nan 8.280 nan 0.000 0.457 569 N N 1.296 120.067 118.700 0.117 0.000 2.493 569 N HA 0.568 5.308 4.740 0.001 0.000 0.275 569 N C -1.137 174.445 175.510 0.121 0.000 1.186 569 N CA -0.469 52.612 53.050 0.053 0.000 0.978 569 N CB 1.027 39.549 38.487 0.057 0.000 1.184 569 N HN 0.698 nan 8.380 nan 0.000 0.487 570 I N 0.699 121.313 120.570 0.072 0.000 2.428 570 I HA 0.259 4.430 4.170 0.001 0.000 0.279 570 I C 1.164 177.327 176.117 0.078 0.000 1.040 570 I CA -0.447 60.912 61.300 0.098 0.000 1.171 570 I CB 1.308 39.352 38.000 0.074 0.000 1.312 570 I HN 0.702 nan 8.210 nan 0.000 0.470 571 G N 5.478 114.326 108.800 0.079 0.000 2.679 571 G HA2 -0.060 3.900 3.960 0.001 0.000 0.212 571 G HA3 -0.060 3.900 3.960 0.001 0.000 0.212 571 G C 0.443 175.384 174.900 0.068 0.000 1.137 571 G CA 0.148 45.289 45.100 0.068 0.000 0.787 571 G HN 0.692 nan 8.290 nan 0.000 0.534 572 N N -1.261 117.482 118.700 0.072 0.000 2.591 572 N HA 0.127 4.868 4.740 0.001 0.000 0.263 572 N C 0.144 175.705 175.510 0.085 0.000 1.308 572 N CA -0.582 52.514 53.050 0.077 0.000 0.837 572 N CB 1.087 39.614 38.487 0.067 0.000 1.548 572 N HN 0.000 nan 8.380 nan 0.000 0.493 573 E N 0.270 120.531 120.200 0.102 0.000 2.097 573 E HA -0.287 4.063 4.350 0.001 0.000 0.196 573 E C 1.132 177.787 176.600 0.091 0.000 1.000 573 E CA 1.787 58.262 56.400 0.125 0.000 0.804 573 E CB -0.004 29.788 29.700 0.153 0.000 0.740 573 E HN 0.530 nan 8.360 nan 0.000 0.454 574 Q N 0.913 120.755 119.800 0.070 0.000 2.061 574 Q HA -0.172 4.169 4.340 0.001 0.000 0.204 574 Q C 1.564 177.562 176.000 -0.003 0.000 0.984 574 Q CA 1.680 57.504 55.803 0.034 0.000 0.846 574 Q CB 0.015 28.776 28.738 0.037 0.000 0.902 574 Q HN 0.251 nan 8.270 nan 0.000 0.421 575 D N -1.062 119.349 120.400 0.019 0.000 2.277 575 D HA -0.026 4.615 4.640 0.001 0.000 0.208 575 D C 1.255 177.560 176.300 0.008 0.000 0.962 575 D CA 0.987 54.997 54.000 0.015 0.000 0.865 575 D CB 0.012 40.840 40.800 0.046 0.000 0.939 575 D HN 0.341 nan 8.370 nan 0.000 0.510 576 A N 0.882 123.714 122.820 0.020 0.000 2.067 576 A HA 0.224 4.544 4.320 0.001 0.000 0.217 576 A C 1.478 179.026 177.584 -0.061 0.000 1.156 576 A CA 0.547 52.602 52.037 0.030 0.000 0.683 576 A CB -0.069 18.987 19.000 0.094 0.000 0.808 576 A HN 0.154 nan 8.150 nan 0.000 0.455 577 A N 1.026 123.734 122.820 -0.187 0.000 2.539 577 A HA 0.510 4.830 4.320 0.001 0.000 0.306 577 A C 0.206 177.502 177.584 -0.480 0.000 1.392 577 A CA -0.118 51.563 52.037 -0.594 0.000 1.060 577 A CB -0.509 17.965 19.000 -0.878 0.000 1.134 577 A HN 0.691 nan 8.150 nan 0.000 0.542 578 Q N 1.749 121.326 119.800 -0.371 0.000 2.693 578 Q HA 0.533 4.874 4.340 0.001 0.000 0.306 578 Q C -1.166 174.783 176.000 -0.085 0.000 0.969 578 Q CA -1.281 54.411 55.803 -0.186 0.000 0.757 578 Q CB 0.890 29.591 28.738 -0.061 0.000 1.494 578 Q HN 0.291 nan 8.270 nan 0.000 0.459 579 K N 0.563 120.954 120.400 -0.014 0.000 2.168 579 K HA 0.356 4.677 4.320 0.001 0.000 0.258 579 K C -1.015 175.669 176.600 0.139 0.000 1.010 579 K CA -0.234 56.086 56.287 0.054 0.000 0.929 579 K CB 0.457 32.974 32.500 0.027 0.000 0.998 579 K HN 0.585 nan 8.250 nan 0.000 0.479 580 F N 2.002 121.971 119.950 0.032 0.000 2.402 580 F HA 0.149 4.677 4.527 0.001 0.000 0.355 580 F C -0.241 175.597 175.800 0.063 0.000 1.123 580 F CA -1.150 56.886 58.000 0.060 0.000 1.021 580 F CB 0.977 40.042 39.000 0.109 0.000 1.160 580 F HN 0.335 nan 8.300 nan 0.000 0.451 581 D N 8.873 128.866 120.400 -0.678 0.000 2.317 581 D HA 0.271 4.912 4.640 0.001 0.000 0.234 581 D C -1.844 173.883 176.300 -0.955 0.000 1.112 581 D CA -2.505 51.166 54.000 -0.548 0.000 0.840 581 D CB 2.042 42.670 40.800 -0.286 0.000 1.078 581 D HN 0.299 nan 8.370 nan 0.000 0.486 582 P HA -0.043 nan 4.420 nan 0.000 0.228 582 P C 1.109 178.333 177.300 -0.126 0.000 1.151 582 P CA 0.519 63.476 63.100 -0.238 0.000 0.770 582 P CB 0.268 32.104 31.700 0.226 0.000 0.786 583 G N -0.364 108.343 108.800 -0.155 0.000 2.712 583 G HA2 -0.010 3.950 3.960 0.001 0.000 0.212 583 G HA3 -0.010 3.950 3.960 0.001 0.000 0.212 583 G C 0.742 175.597 174.900 -0.074 0.000 1.142 583 G CA 0.592 45.651 45.100 -0.067 0.000 0.789 583 G HN 0.434 nan 8.290 nan 0.000 0.535 584 T N -1.808 112.655 114.554 -0.152 0.000 2.937 584 T HA 0.725 5.076 4.350 0.001 0.000 0.283 584 T C -0.485 174.183 174.700 -0.054 0.000 1.012 584 T CA -0.843 61.194 62.100 -0.105 0.000 0.997 584 T CB 2.256 71.047 68.868 -0.128 0.000 1.136 584 T HN -0.081 nan 8.240 nan 0.000 0.551 585 I N 0.965 121.499 120.570 -0.060 0.000 2.498 585 I HA 0.511 4.682 4.170 0.001 0.000 0.290 585 I C -0.198 175.840 176.117 -0.131 0.000 1.032 585 I CA -1.028 60.213 61.300 -0.098 0.000 1.073 585 I CB 1.877 39.712 38.000 -0.274 0.000 1.251 585 I HN 0.420 nan 8.210 nan 0.000 0.426 586 R N 7.109 127.573 120.500 -0.061 0.000 2.451 586 R HA 0.654 4.994 4.340 0.001 0.000 0.307 586 R C -1.365 174.862 176.300 -0.121 0.000 0.965 586 R CA -0.700 55.363 56.100 -0.061 0.000 0.865 586 R CB 1.892 32.250 30.300 0.096 0.000 1.174 586 R HN 0.554 nan 8.270 nan 0.000 0.455 587 L N 3.149 124.266 121.223 -0.177 0.000 2.342 587 L HA 0.528 4.868 4.340 0.001 0.000 0.271 587 L C -0.353 176.492 176.870 -0.043 0.000 1.008 587 L CA -1.304 53.448 54.840 -0.146 0.000 0.818 587 L CB 1.881 43.773 42.059 -0.278 0.000 1.296 587 L HN 0.236 nan 8.230 nan 0.000 0.427 588 L N 2.114 123.356 121.223 0.033 0.000 2.297 588 L HA 0.429 4.770 4.340 0.001 0.000 0.277 588 L C -0.192 176.734 176.870 0.092 0.000 1.040 588 L CA 0.430 55.311 54.840 0.068 0.000 0.867 588 L CB 0.784 42.900 42.059 0.095 0.000 1.244 588 L HN 0.516 nan 8.230 nan 0.000 0.433 589 S N 3.195 118.930 115.700 0.058 0.000 2.687 589 S HA 0.459 4.930 4.470 0.001 0.000 0.283 589 S C -0.279 174.360 174.600 0.065 0.000 1.170 589 S CA -0.695 57.548 58.200 0.071 0.000 1.008 589 S CB 1.134 64.353 63.200 0.032 0.000 1.026 589 S HN 0.642 nan 8.310 nan 0.000 0.541 590 N N 2.263 120.999 118.700 0.059 0.000 2.558 590 N HA 0.269 5.010 4.740 0.001 0.000 0.242 590 N C -2.114 173.402 175.510 0.011 0.000 0.979 590 N CA -2.056 51.012 53.050 0.030 0.000 0.931 590 N CB 1.441 39.936 38.487 0.013 0.000 1.122 590 N HN 0.233 nan 8.380 nan 0.000 0.508 591 P HA 0.016 nan 4.420 nan 0.000 0.242 591 P C 0.073 177.371 177.300 -0.003 0.000 1.197 591 P CA 0.629 63.733 63.100 0.007 0.000 0.765 591 P CB 0.550 32.258 31.700 0.012 0.000 0.936 592 N N -0.107 118.586 118.700 -0.012 0.000 2.356 592 N HA 0.070 4.810 4.740 0.001 0.000 0.178 592 N C 0.454 175.941 175.510 -0.038 0.000 1.075 592 N CA 0.438 53.475 53.050 -0.022 0.000 0.889 592 N CB 0.631 39.104 38.487 -0.024 0.000 0.999 592 N HN 0.291 nan 8.380 nan 0.000 0.464 593 K N 1.052 121.423 120.400 -0.049 0.000 2.443 593 K HA 0.376 4.696 4.320 0.001 0.000 0.252 593 K C -0.714 175.838 176.600 -0.080 0.000 0.933 593 K CA -0.410 55.831 56.287 -0.077 0.000 0.792 593 K CB 2.476 34.906 32.500 -0.117 0.000 1.185 593 K HN -0.003 nan 8.250 nan 0.000 0.425 594 E N 1.340 121.494 120.200 -0.078 0.000 2.263 594 E HA 0.176 4.527 4.350 0.001 0.000 0.264 594 E C -0.648 175.898 176.600 -0.090 0.000 0.923 594 E CA -0.916 55.444 56.400 -0.067 0.000 0.802 594 E CB 1.888 31.565 29.700 -0.038 0.000 1.228 594 E HN 0.648 nan 8.360 nan 0.000 0.417 595 N N 0.112 118.765 118.700 -0.079 0.000 2.431 595 N HA 0.120 4.861 4.740 0.001 0.000 0.289 595 N C 0.925 176.404 175.510 -0.052 0.000 1.277 595 N CA -0.760 52.240 53.050 -0.084 0.000 0.972 595 N CB 0.983 39.425 38.487 -0.075 0.000 1.143 595 N HN 0.364 nan 8.380 nan 0.000 0.578 596 R N -0.991 119.484 120.500 -0.042 0.000 2.211 596 R HA -0.091 4.249 4.340 0.001 0.000 0.240 596 R C 0.829 177.113 176.300 -0.027 0.000 1.144 596 R CA 1.565 57.647 56.100 -0.031 0.000 0.992 596 R CB -0.171 30.115 30.300 -0.024 0.000 0.869 596 R HN 0.629 nan 8.270 nan 0.000 0.462 597 M N -0.933 118.651 119.600 -0.027 0.000 2.431 597 M HA 0.287 4.767 4.480 0.001 0.000 0.237 597 M C 0.850 177.143 176.300 -0.013 0.000 1.130 597 M CA 0.677 55.965 55.300 -0.020 0.000 1.002 597 M CB 1.402 33.988 32.600 -0.023 0.000 1.524 597 M HN 0.343 nan 8.290 nan 0.000 0.482 598 G N 0.471 109.262 108.800 -0.016 0.000 2.157 598 G HA2 -0.277 3.684 3.960 0.001 0.000 0.248 598 G HA3 -0.277 3.684 3.960 0.001 0.000 0.248 598 G C -0.014 174.886 174.900 0.001 0.000 0.979 598 G CA -0.049 45.046 45.100 -0.009 0.000 0.650 598 G HN 0.516 nan 8.290 nan 0.000 0.529 599 N N 1.474 120.176 118.700 0.004 0.000 2.498 599 N HA 0.528 5.269 4.740 0.001 0.000 0.287 599 N C -2.699 172.825 175.510 0.023 0.000 1.097 599 N CA -1.664 51.404 53.050 0.031 0.000 0.973 599 N CB 1.459 39.979 38.487 0.054 0.000 1.153 599 N HN -0.005 nan 8.380 nan 0.000 0.472 600 P HA -0.037 nan 4.420 nan 0.000 0.267 600 P C -0.504 176.824 177.300 0.046 0.000 1.209 600 P CA -0.337 62.779 63.100 0.027 0.000 0.763 600 P CB 0.400 32.122 31.700 0.037 0.000 0.816 601 V N 1.793 121.698 119.914 -0.015 0.000 2.540 601 V HA 0.380 4.501 4.120 0.001 0.000 0.297 601 V C 0.023 176.208 176.094 0.151 0.000 1.024 601 V CA 0.454 62.736 62.300 -0.030 0.000 1.105 601 V CB -0.318 31.316 31.823 -0.315 0.000 0.938 601 V HN 0.476 nan 8.190 nan 0.000 0.482 602 S N 3.149 119.016 115.700 0.278 0.000 2.671 602 S HA 0.746 5.216 4.470 0.001 0.000 0.277 602 S C -1.474 173.314 174.600 0.314 0.000 1.165 602 S CA -0.518 57.866 58.200 0.306 0.000 0.822 602 S CB 1.697 65.017 63.200 0.202 0.000 1.150 602 S HN 0.725 nan 8.310 nan 0.000 0.479 603 Y N 1.665 122.047 120.300 0.136 0.000 2.350 603 Y HA 0.435 4.986 4.550 0.001 0.000 0.338 603 Y C 0.129 176.058 175.900 0.048 0.000 0.961 603 Y CA -0.470 57.676 58.100 0.077 0.000 1.100 603 Y CB 1.635 40.099 38.460 0.006 0.000 1.179 603 Y HN 0.601 nan 8.280 nan 0.000 0.454 604 Q N 4.324 124.198 119.800 0.124 0.000 2.286 604 Q HA 0.475 4.816 4.340 0.001 0.000 0.257 604 Q C -1.216 174.825 176.000 0.068 0.000 0.941 604 Q CA -0.319 55.512 55.803 0.047 0.000 0.912 604 Q CB 0.679 29.491 28.738 0.123 0.000 1.192 604 Q HN 0.696 nan 8.270 nan 0.000 0.410 605 I N 5.796 126.379 120.570 0.020 0.000 2.321 605 I HA 0.299 4.470 4.170 0.001 0.000 0.291 605 I C -0.415 175.626 176.117 -0.126 0.000 0.998 605 I CA -0.511 60.778 61.300 -0.019 0.000 1.227 605 I CB 1.044 39.041 38.000 -0.006 0.000 1.368 605 I HN 0.579 nan 8.210 nan 0.000 0.466 606 I N 8.556 129.020 120.570 -0.178 0.000 2.537 606 I HA 0.250 4.421 4.170 0.001 0.000 0.276 606 I C -1.858 174.034 176.117 -0.376 0.000 1.063 606 I CA -1.441 59.655 61.300 -0.340 0.000 1.144 606 I CB 1.489 39.445 38.000 -0.073 0.000 1.252 606 I HN 0.337 nan 8.210 nan 0.000 0.480 607 P HA -0.138 nan 4.420 nan 0.000 0.226 607 P C -0.264 177.045 177.300 0.016 0.000 1.153 607 P CA 1.103 64.070 63.100 -0.222 0.000 0.777 607 P CB 0.002 31.598 31.700 -0.174 0.000 0.794 608 Y N -0.018 120.186 120.300 -0.160 0.000 2.488 608 Y HA 0.619 5.169 4.550 0.001 0.000 0.330 608 Y C 0.092 176.103 175.900 0.184 0.000 1.013 608 Y CA -1.578 56.605 58.100 0.140 0.000 1.304 608 Y CB 0.514 39.185 38.460 0.352 0.000 1.098 608 Y HN -0.166 nan 8.280 nan 0.000 0.498 609 A N 3.585 126.231 122.820 -0.290 0.000 2.500 609 A HA 0.701 5.022 4.320 0.001 0.000 0.267 609 A C 0.875 178.258 177.584 -0.335 0.000 1.290 609 A CA 0.307 52.184 52.037 -0.266 0.000 0.928 609 A CB -0.710 18.236 19.000 -0.090 0.000 1.066 609 A HN 1.516 nan 8.150 nan 0.000 0.516 610 G N -2.316 106.038 108.800 -0.743 0.000 2.479 610 G HA2 0.513 4.473 3.960 0.001 0.000 0.686 610 G HA3 0.513 4.473 3.960 0.001 0.000 0.686 610 G C -0.190 174.750 174.900 0.067 0.000 1.295 610 G CA -0.359 44.576 45.100 -0.275 0.000 0.922 610 G HN 1.930 nan 8.290 nan 0.000 0.582 611 G N -2.285 106.608 108.800 0.156 0.000 2.466 611 G HA2 0.748 4.709 3.960 0.001 0.000 0.291 611 G HA3 0.748 4.709 3.960 0.001 0.000 0.291 611 G C 0.521 175.490 174.900 0.115 0.000 1.460 611 G CA 0.947 46.100 45.100 0.089 0.000 0.791 611 G HN 2.005 nan 8.290 nan 0.000 0.505 612 T N -2.719 111.871 114.554 0.060 0.000 3.060 612 T HA 0.285 4.636 4.350 0.001 0.000 0.249 612 T C 0.621 175.335 174.700 0.023 0.000 1.079 612 T CA 0.608 62.727 62.100 0.032 0.000 1.013 612 T CB 0.047 68.907 68.868 -0.015 0.000 0.975 612 T HN 0.432 nan 8.240 nan 0.000 0.518 613 H N 1.484 120.565 119.070 0.018 0.000 2.676 613 H HA 0.578 5.134 4.556 0.001 0.000 0.352 613 H C -2.563 172.788 175.328 0.039 0.000 1.193 613 H CA -2.528 53.514 56.048 -0.009 0.000 1.243 613 H CB 1.258 30.983 29.762 -0.061 0.000 1.751 613 H HN 0.021 nan 8.280 nan 0.000 0.567 614 P HA -0.045 nan 4.420 nan 0.000 0.267 614 P C -0.639 176.711 177.300 0.083 0.000 1.200 614 P CA 0.010 63.158 63.100 0.081 0.000 0.772 614 P CB 0.594 32.301 31.700 0.012 0.000 0.855 615 V N 2.805 122.759 119.914 0.067 0.000 2.546 615 V HA 0.531 4.652 4.120 0.001 0.000 0.284 615 V C -0.080 176.005 176.094 -0.014 0.000 1.050 615 V CA -0.612 61.709 62.300 0.035 0.000 0.981 615 V CB 0.635 32.412 31.823 -0.076 0.000 0.990 615 V HN 0.669 nan 8.190 nan 0.000 0.474 616 A N 5.817 128.643 122.820 0.009 0.000 2.347 616 A HA 0.383 4.703 4.320 0.001 0.000 0.287 616 A C 0.938 178.514 177.584 -0.013 0.000 1.199 616 A CA -0.271 51.766 52.037 0.001 0.000 0.851 616 A CB 0.087 19.104 19.000 0.027 0.000 1.118 616 A HN 0.988 nan 8.150 nan 0.000 0.525 617 K N 1.929 122.316 120.400 -0.022 0.000 2.365 617 K HA 0.170 4.491 4.320 0.001 0.000 0.199 617 K C 1.026 177.639 176.600 0.022 0.000 1.045 617 K CA 0.916 57.191 56.287 -0.020 0.000 0.962 617 K CB 0.135 32.622 32.500 -0.022 0.000 0.759 617 K HN 0.900 nan 8.250 nan 0.000 0.469 618 G N -0.023 108.800 108.800 0.039 0.000 2.356 618 G HA2 0.422 4.383 3.960 0.001 0.000 0.281 618 G HA3 0.422 4.383 3.960 0.001 0.000 0.281 618 G C -1.795 173.154 174.900 0.082 0.000 1.246 618 G CA -0.443 44.700 45.100 0.072 0.000 0.889 618 G HN 0.084 nan 8.290 nan 0.000 0.486 619 A N -0.302 122.602 122.820 0.141 0.000 2.328 619 A HA 0.627 4.947 4.320 0.001 0.000 0.284 619 A C 0.181 177.899 177.584 0.222 0.000 1.160 619 A CA -0.232 51.939 52.037 0.223 0.000 0.818 619 A CB 0.789 19.960 19.000 0.286 0.000 1.087 619 A HN 0.332 nan 8.150 nan 0.000 0.504 620 Q N 1.817 121.658 119.800 0.069 0.000 3.170 620 Q HA 0.335 4.676 4.340 0.001 0.000 0.346 620 Q C -1.582 174.181 176.000 -0.394 0.000 1.333 620 Q CA 0.597 56.313 55.803 -0.145 0.000 0.958 620 Q CB -0.818 27.776 28.738 -0.241 0.000 1.600 620 Q HN 0.565 nan 8.270 nan 0.000 0.482 621 F N -0.715 119.293 119.950 0.097 0.000 2.588 621 F HA 0.567 5.095 4.527 0.001 0.000 0.310 621 F C 0.273 176.058 175.800 -0.025 0.000 1.082 621 F CA -1.351 56.704 58.000 0.091 0.000 0.929 621 F CB 1.152 40.269 39.000 0.194 0.000 1.254 621 F HN 0.056 nan 8.300 nan 0.000 0.455 622 A N 2.856 125.739 122.820 0.105 0.000 2.425 622 A HA 0.371 4.691 4.320 0.001 0.000 0.242 622 A C -1.757 175.642 177.584 -0.309 0.000 1.077 622 A CA -0.995 50.996 52.037 -0.076 0.000 0.781 622 A CB -0.247 18.730 19.000 -0.037 0.000 1.020 622 A HN 0.563 nan 8.150 nan 0.000 0.494 623 P HA -0.095 nan 4.420 nan 0.000 0.231 623 P C 0.239 177.280 177.300 -0.433 0.000 1.158 623 P CA 1.304 63.868 63.100 -0.893 0.000 0.763 623 P CB 0.007 31.388 31.700 -0.532 0.000 0.805 624 D N -1.823 118.431 120.400 -0.243 0.000 2.349 624 D HA -0.010 4.631 4.640 0.001 0.000 0.214 624 D C 0.250 176.454 176.300 -0.160 0.000 1.063 624 D CA 0.054 53.941 54.000 -0.189 0.000 0.847 624 D CB -0.256 40.458 40.800 -0.142 0.000 0.933 624 D HN 0.078 nan 8.370 nan 0.000 0.513 625 E N 0.049 120.226 120.200 -0.039 0.000 2.354 625 E HA 0.007 4.357 4.350 0.001 0.000 0.269 625 E C 0.220 176.852 176.600 0.054 0.000 1.036 625 E CA -0.362 56.091 56.400 0.089 0.000 0.876 625 E CB 0.881 30.721 29.700 0.234 0.000 1.009 625 E HN 0.260 nan 8.360 nan 0.000 0.416 626 W N 2.140 123.495 121.300 0.093 0.000 2.358 626 W HA -0.113 4.548 4.660 0.001 0.000 0.303 626 W C 2.198 178.723 176.519 0.009 0.000 1.208 626 W CA 0.274 57.659 57.345 0.068 0.000 1.274 626 W CB -0.161 29.242 29.460 -0.095 0.000 1.138 626 W HN 0.605 nan 8.180 nan 0.000 0.515 627 I N -0.525 120.084 120.570 0.065 0.000 2.264 627 I HA -0.379 3.791 4.170 0.001 0.000 0.248 627 I C 2.395 178.427 176.117 -0.141 0.000 1.111 627 I CA 1.575 62.797 61.300 -0.129 0.000 1.382 627 I CB -0.330 37.440 38.000 -0.384 0.000 1.060 627 I HN 0.075 nan 8.210 nan 0.000 0.418 628 Y N 0.586 120.761 120.300 -0.207 0.000 2.181 628 Y HA -0.360 4.190 4.550 0.001 0.000 0.288 628 Y C 2.600 178.493 175.900 -0.013 0.000 1.146 628 Y CA 2.404 60.440 58.100 -0.107 0.000 1.164 628 Y CB -0.412 38.043 38.460 -0.008 0.000 0.982 628 Y HN 0.408 nan 8.280 nan 0.000 0.515 629 H N -0.196 118.948 119.070 0.123 0.000 2.372 629 H HA 0.017 4.574 4.556 0.001 0.000 0.301 629 H C 2.184 177.533 175.328 0.035 0.000 1.065 629 H CA 1.804 57.893 56.048 0.068 0.000 1.364 629 H CB -0.071 29.675 29.762 -0.026 0.000 1.406 629 H HN 0.203 nan 8.280 nan 0.000 0.521 630 R N -0.267 120.204 120.500 -0.048 0.000 2.115 630 R HA 0.065 4.406 4.340 0.001 0.000 0.230 630 R C 0.203 176.409 176.300 -0.158 0.000 1.111 630 R CA 1.095 57.123 56.100 -0.120 0.000 0.976 630 R CB 0.130 30.448 30.300 0.031 0.000 0.870 630 R HN 0.260 nan 8.270 nan 0.000 0.445 631 L N 1.357 122.487 121.223 -0.155 0.000 2.506 631 L HA 0.230 4.571 4.340 0.001 0.000 0.247 631 L C 0.778 177.486 176.870 -0.270 0.000 1.141 631 L CA -0.420 54.340 54.840 -0.133 0.000 0.973 631 L CB 1.629 43.619 42.059 -0.115 0.000 1.319 631 L HN 0.099 nan 8.230 nan 0.000 0.455 632 S N 0.413 115.995 115.700 -0.195 0.000 2.447 632 S HA -0.202 4.269 4.470 0.001 0.000 0.233 632 S C 1.702 176.316 174.600 0.023 0.000 1.006 632 S CA 0.648 58.763 58.200 -0.142 0.000 0.957 632 S CB -0.498 62.737 63.200 0.059 0.000 0.773 632 S HN 0.678 nan 8.310 nan 0.000 0.507 633 F N 1.566 121.380 119.950 -0.226 0.000 2.307 633 F HA 0.131 4.658 4.527 0.001 0.000 0.301 633 F C 1.940 177.792 175.800 0.086 0.000 1.076 633 F CA 0.493 58.364 58.000 -0.215 0.000 1.383 633 F CB -0.881 37.830 39.000 -0.481 0.000 1.055 633 F HN 0.081 nan 8.300 nan 0.000 0.526 634 M N 0.391 119.534 119.600 -0.763 0.000 2.296 634 M HA -0.144 4.336 4.480 0.001 0.000 0.265 634 M C 1.157 177.383 176.300 -0.123 0.000 1.064 634 M CA 1.777 56.751 55.300 -0.542 0.000 1.109 634 M CB -0.505 31.766 32.600 -0.549 0.000 1.396 634 M HN 0.140 nan 8.290 nan 0.000 0.430 635 D N 0.233 120.604 120.400 -0.048 0.000 2.340 635 D HA 0.035 4.676 4.640 0.001 0.000 0.220 635 D C -0.156 176.208 176.300 0.106 0.000 1.039 635 D CA 0.568 54.597 54.000 0.049 0.000 0.866 635 D CB 0.528 41.329 40.800 0.001 0.000 0.913 635 D HN -0.074 nan 8.370 nan 0.000 0.523 636 K N 0.112 120.634 120.400 0.205 0.000 2.371 636 K HA 0.290 4.611 4.320 0.001 0.000 0.251 636 K C 0.156 176.917 176.600 0.269 0.000 0.934 636 K CA -0.457 55.885 56.287 0.092 0.000 0.798 636 K CB 1.817 34.102 32.500 -0.359 0.000 1.204 636 K HN -0.169 nan 8.250 nan 0.000 0.427 637 Q N 0.311 120.226 119.800 0.192 0.000 2.354 637 Q HA 0.124 4.465 4.340 0.001 0.000 0.203 637 Q C -0.053 176.125 176.000 0.296 0.000 0.933 637 Q CA 0.430 56.398 55.803 0.274 0.000 0.901 637 Q CB 0.277 29.175 28.738 0.267 0.000 1.007 637 Q HN 0.325 nan 8.270 nan 0.000 0.495 638 L N 0.159 121.497 121.223 0.191 0.000 2.356 638 L HA 0.545 4.886 4.340 0.001 0.000 0.277 638 L C -1.965 174.967 176.870 0.103 0.000 0.996 638 L CA -0.441 54.521 54.840 0.203 0.000 0.822 638 L CB 0.981 43.132 42.059 0.153 0.000 1.256 638 L HN -0.006 nan 8.230 nan 0.000 0.413 639 W N 4.240 125.681 121.300 0.234 0.000 2.936 639 W HA 0.792 5.453 4.660 0.001 0.000 0.338 639 W C -1.190 175.531 176.519 0.336 0.000 1.121 639 W CA -0.804 56.670 57.345 0.215 0.000 1.209 639 W CB 2.209 31.732 29.460 0.104 0.000 1.420 639 W HN 0.236 nan 8.180 nan 0.000 0.516 640 V N 2.417 122.626 119.914 0.491 0.000 2.567 640 V HA 0.638 4.759 4.120 0.001 0.000 0.298 640 V C -0.240 176.080 176.094 0.378 0.000 1.047 640 V CA -0.831 61.727 62.300 0.430 0.000 0.880 640 V CB 1.409 33.389 31.823 0.260 0.000 1.009 640 V HN 0.593 nan 8.190 nan 0.000 0.429 641 T N 1.402 116.225 114.554 0.447 0.000 2.907 641 T HA 0.789 5.140 4.350 0.001 0.000 0.290 641 T C -0.395 174.437 174.700 0.220 0.000 1.066 641 T CA -0.957 61.340 62.100 0.329 0.000 1.012 641 T CB 2.192 71.287 68.868 0.379 0.000 1.184 641 T HN 0.575 nan 8.240 nan 0.000 0.522 642 R N 0.459 121.022 120.500 0.105 0.000 2.490 642 R HA 0.327 4.667 4.340 0.001 0.000 0.280 642 R C -0.829 175.338 176.300 -0.222 0.000 1.077 642 R CA -0.716 55.357 56.100 -0.045 0.000 1.065 642 R CB -0.342 29.914 30.300 -0.073 0.000 1.003 642 R HN 0.761 nan 8.270 nan 0.000 0.470 643 Y N 4.479 124.615 120.300 -0.273 0.000 2.610 643 Y HA 0.134 4.684 4.550 0.001 0.000 0.332 643 Y C -0.855 174.743 175.900 -0.503 0.000 1.201 643 Y CA 0.755 58.701 58.100 -0.257 0.000 1.465 643 Y CB 0.378 38.759 38.460 -0.132 0.000 1.283 643 Y HN 0.591 nan 8.280 nan 0.000 0.563 644 H N 7.133 125.689 119.070 -0.857 0.000 3.083 644 H HA 0.171 4.727 4.556 0.001 0.000 0.339 644 H C -2.095 172.742 175.328 -0.818 0.000 1.020 644 H CA -1.929 53.682 56.048 -0.728 0.000 1.360 644 H CB 1.730 31.285 29.762 -0.346 0.000 1.811 644 H HN 0.467 nan 8.280 nan 0.000 0.493 645 P HA -0.084 nan 4.420 nan 0.000 0.223 645 P C 1.186 178.365 177.300 -0.202 0.000 1.144 645 P CA 1.113 64.022 63.100 -0.318 0.000 0.783 645 P CB 0.194 31.822 31.700 -0.121 0.000 0.771 646 G N -0.434 108.248 108.800 -0.196 0.000 3.707 646 G HA2 0.089 4.049 3.960 0.001 0.000 0.286 646 G HA3 0.089 4.049 3.960 0.001 0.000 0.286 646 G C -0.105 174.660 174.900 -0.225 0.000 1.112 646 G CA -0.177 44.829 45.100 -0.156 0.000 0.861 646 G HN 0.209 nan 8.290 nan 0.000 0.534 647 E N 0.503 120.484 120.200 -0.366 0.000 2.437 647 E HA 0.325 4.676 4.350 0.001 0.000 0.238 647 E C 0.101 176.445 176.600 -0.427 0.000 0.969 647 E CA -0.435 55.535 56.400 -0.717 0.000 0.759 647 E CB 1.261 30.306 29.700 -1.092 0.000 1.283 647 E HN 0.207 nan 8.360 nan 0.000 0.416 648 R N 1.324 121.559 120.500 -0.443 0.000 2.531 648 R HA 0.216 4.556 4.340 0.001 0.000 0.316 648 R C -0.412 175.581 176.300 -0.510 0.000 0.955 648 R CA -0.027 55.744 56.100 -0.548 0.000 1.120 648 R CB 0.777 30.398 30.300 -1.131 0.000 1.361 648 R HN 0.192 nan 8.270 nan 0.000 0.534 649 F N 1.933 122.074 119.950 0.318 0.000 2.493 649 F HA 0.375 4.903 4.527 0.001 0.000 0.329 649 F C -1.532 174.244 175.800 -0.041 0.000 1.126 649 F CA -3.049 55.027 58.000 0.125 0.000 0.937 649 F CB 1.447 40.427 39.000 -0.034 0.000 1.146 649 F HN -0.266 nan 8.300 nan 0.000 0.442 650 P HA -0.195 nan 4.420 nan 0.000 0.218 650 P C 0.823 177.659 177.300 -0.773 0.000 1.149 650 P CA 1.676 64.367 63.100 -0.681 0.000 0.817 650 P CB 0.248 31.329 31.700 -1.031 0.000 0.785 651 E N 0.470 120.304 120.200 -0.610 0.000 2.479 651 E HA 0.169 4.520 4.350 0.001 0.000 0.193 651 E C 0.776 177.257 176.600 -0.198 0.000 1.049 651 E CA 0.508 56.726 56.400 -0.303 0.000 0.870 651 E CB -0.514 29.079 29.700 -0.178 0.000 0.944 651 E HN 0.174 nan 8.360 nan 0.000 0.492 652 G N 1.964 110.672 108.800 -0.154 0.000 2.692 652 G HA2 -0.272 3.688 3.960 0.001 0.000 0.686 652 G HA3 -0.272 3.688 3.960 0.001 0.000 0.686 652 G C 0.082 174.958 174.900 -0.039 0.000 1.243 652 G CA -0.062 44.984 45.100 -0.089 0.000 0.782 652 G HN 0.140 nan 8.290 nan 0.000 0.625 653 K N -0.487 119.916 120.400 0.005 0.000 2.103 653 K HA -0.053 4.268 4.320 0.001 0.000 0.207 653 K C 0.296 176.495 176.600 -0.669 0.000 1.048 653 K CA 1.587 57.691 56.287 -0.304 0.000 0.930 653 K CB -0.126 32.181 32.500 -0.321 0.000 0.716 653 K HN 0.508 nan 8.250 nan 0.000 0.444 654 Y N 0.108 120.359 120.300 -0.083 0.000 2.584 654 Y HA 0.238 4.789 4.550 0.001 0.000 0.358 654 Y C -1.974 173.872 175.900 -0.089 0.000 1.028 654 Y CA -2.295 55.752 58.100 -0.088 0.000 1.148 654 Y CB 1.466 39.891 38.460 -0.059 0.000 1.126 654 Y HN 0.104 nan 8.280 nan 0.000 0.658 655 P HA -0.079 nan 4.420 nan 0.000 0.233 655 P C 0.118 177.416 177.300 -0.003 0.000 1.167 655 P CA 0.524 63.608 63.100 -0.027 0.000 0.770 655 P CB 0.524 32.194 31.700 -0.050 0.000 0.837 656 N N 1.857 120.569 118.700 0.019 0.000 2.416 656 N HA -0.008 4.733 4.740 0.001 0.000 0.265 656 N C 0.272 175.778 175.510 -0.007 0.000 1.195 656 N CA 0.168 53.208 53.050 -0.016 0.000 0.943 656 N CB -0.486 37.980 38.487 -0.035 0.000 1.115 656 N HN -0.086 nan 8.380 nan 0.000 0.481 657 R N 0.377 120.849 120.500 -0.048 0.000 3.651 657 R HA -0.169 4.171 4.340 0.001 0.000 0.292 657 R C -0.360 175.939 176.300 -0.002 0.000 1.161 657 R CA 0.828 56.911 56.100 -0.027 0.000 0.787 657 R CB -2.788 27.412 30.300 -0.167 0.000 1.249 657 R HN 0.737 nan 8.270 nan 0.000 0.476 658 S N -0.630 115.054 115.700 -0.026 0.000 2.572 658 S HA 0.168 4.638 4.470 0.001 0.000 0.279 658 S C 1.513 175.990 174.600 -0.206 0.000 1.341 658 S CA 0.125 58.275 58.200 -0.084 0.000 1.043 658 S CB 1.657 64.801 63.200 -0.094 0.000 0.887 658 S HN 0.343 nan 8.310 nan 0.000 0.516 659 T N -2.408 112.000 114.554 -0.243 0.000 3.014 659 T HA 0.177 4.527 4.350 0.001 0.000 0.250 659 T C 0.456 175.243 174.700 0.145 0.000 1.060 659 T CA 0.321 62.157 62.100 -0.439 0.000 1.040 659 T CB -0.493 68.081 68.868 -0.490 0.000 0.971 659 T HN 0.981 nan 8.240 nan 0.000 0.497 660 H N -1.312 117.718 119.070 -0.066 0.000 3.037 660 H HA 0.444 5.000 4.556 0.001 0.000 0.355 660 H C -1.866 173.381 175.328 -0.135 0.000 1.263 660 H CA -1.236 54.782 56.048 -0.050 0.000 1.129 660 H CB 0.535 30.308 29.762 0.018 0.000 1.861 660 H HN -0.030 nan 8.280 nan 0.000 0.546 661 D N 1.614 121.856 120.400 -0.262 0.000 2.402 661 D HA 0.003 4.644 4.640 0.001 0.000 0.268 661 D C 0.607 176.694 176.300 -0.355 0.000 1.294 661 D CA 0.623 54.441 54.000 -0.303 0.000 0.945 661 D CB 0.512 41.150 40.800 -0.270 0.000 1.112 661 D HN 0.641 nan 8.370 nan 0.000 0.517 662 T N 0.597 114.909 114.554 -0.403 0.000 3.174 662 T HA 0.415 4.766 4.350 0.001 0.000 0.269 662 T C 0.860 175.277 174.700 -0.472 0.000 1.017 662 T CA -0.330 61.549 62.100 -0.369 0.000 0.899 662 T CB 0.816 69.501 68.868 -0.304 0.000 1.077 662 T HN 0.245 nan 8.240 nan 0.000 0.552 663 G N 1.088 109.514 108.800 -0.624 0.000 3.134 663 G HA2 0.514 4.474 3.960 0.001 0.000 0.158 663 G HA3 0.514 4.474 3.960 0.001 0.000 0.158 663 G C 0.772 174.765 174.900 -1.512 0.000 1.334 663 G CA -0.817 43.682 45.100 -1.002 0.000 1.001 663 G HN 0.266 nan 8.290 nan 0.000 0.600 664 L N 0.830 121.318 121.223 -1.225 0.000 2.189 664 L HA -0.078 4.263 4.340 0.001 0.000 0.214 664 L C 2.963 179.431 176.870 -0.670 0.000 1.097 664 L CA 1.167 55.321 54.840 -1.144 0.000 0.764 664 L CB -0.407 40.645 42.059 -1.679 0.000 0.900 664 L HN 0.602 nan 8.230 nan 0.000 0.436 665 G N -1.173 107.321 108.800 -0.510 0.000 2.402 665 G HA2 -0.294 3.666 3.960 0.001 0.000 0.216 665 G HA3 -0.294 3.666 3.960 0.001 0.000 0.216 665 G C 1.477 176.292 174.900 -0.141 0.000 1.162 665 G CA 0.572 45.576 45.100 -0.161 0.000 0.777 665 G HN 0.410 nan 8.290 nan 0.000 0.539 666 Q N -0.977 118.647 119.800 -0.294 0.000 2.096 666 Q HA -0.080 4.261 4.340 0.001 0.000 0.197 666 Q C 2.209 178.197 176.000 -0.020 0.000 0.964 666 Q CA 0.785 56.489 55.803 -0.165 0.000 0.838 666 Q CB -0.156 28.448 28.738 -0.223 0.000 0.906 666 Q HN 0.515 nan 8.270 nan 0.000 0.444 667 Y N 0.465 120.703 120.300 -0.104 0.000 2.333 667 Y HA -0.089 4.461 4.550 0.001 0.000 0.290 667 Y C 2.466 178.377 175.900 0.018 0.000 1.144 667 Y CA 1.218 59.280 58.100 -0.062 0.000 1.228 667 Y CB -0.422 37.927 38.460 -0.185 0.000 0.985 667 Y HN 0.272 nan 8.280 nan 0.000 0.542 668 S N -1.696 114.106 115.700 0.170 0.000 2.539 668 S HA 0.107 4.578 4.470 0.001 0.000 0.221 668 S C 1.669 176.355 174.600 0.143 0.000 0.987 668 S CA -0.172 58.141 58.200 0.189 0.000 0.929 668 S CB 0.119 63.481 63.200 0.270 0.000 0.832 668 S HN 0.106 nan 8.310 nan 0.000 0.492 669 K N 2.340 122.806 120.400 0.111 0.000 2.103 669 K HA -0.074 4.246 4.320 0.001 0.000 0.207 669 K C 0.895 177.546 176.600 0.084 0.000 1.048 669 K CA 1.738 58.078 56.287 0.088 0.000 0.930 669 K CB -0.304 32.236 32.500 0.067 0.000 0.716 669 K HN 0.308 nan 8.250 nan 0.000 0.444 670 D N 0.160 120.615 120.400 0.091 0.000 2.352 670 D HA -0.102 4.538 4.640 0.001 0.000 0.232 670 D C -0.353 175.999 176.300 0.086 0.000 1.055 670 D CA 0.294 54.343 54.000 0.081 0.000 0.891 670 D CB -0.552 40.296 40.800 0.080 0.000 0.897 670 D HN 0.384 nan 8.370 nan 0.000 0.529 671 N N 1.669 120.426 118.700 0.094 0.000 2.698 671 N HA -0.207 4.534 4.740 0.001 0.000 0.258 671 N C -0.575 174.990 175.510 0.091 0.000 0.978 671 N CA 0.031 53.135 53.050 0.090 0.000 0.777 671 N CB -0.291 38.238 38.487 0.070 0.000 0.907 671 N HN 0.368 nan 8.380 nan 0.000 0.543 672 E N 0.155 120.420 120.200 0.109 0.000 2.425 672 E HA 0.039 4.390 4.350 0.001 0.000 0.258 672 E C 0.359 177.016 176.600 0.094 0.000 1.151 672 E CA -0.117 56.346 56.400 0.106 0.000 0.958 672 E CB 0.579 30.359 29.700 0.134 0.000 0.968 672 E HN 0.271 nan 8.360 nan 0.000 0.451 673 S N 0.672 116.422 115.700 0.083 0.000 2.565 673 S HA 0.116 4.587 4.470 0.001 0.000 0.276 673 S C 0.296 174.942 174.600 0.076 0.000 1.326 673 S CA -0.453 57.791 58.200 0.073 0.000 1.045 673 S CB 0.193 63.431 63.200 0.063 0.000 0.918 673 S HN 0.440 nan 8.310 nan 0.000 0.505 674 L N 3.202 124.470 121.223 0.075 0.000 3.066 674 L HA 0.348 4.688 4.340 0.001 0.000 0.265 674 L C -0.129 176.779 176.870 0.063 0.000 1.232 674 L CA -0.197 54.689 54.840 0.076 0.000 1.031 674 L CB 0.274 42.387 42.059 0.089 0.000 1.379 674 L HN 0.604 nan 8.230 nan 0.000 0.563 675 D N 1.097 121.531 120.400 0.056 0.000 2.313 675 D HA 0.059 4.699 4.640 0.001 0.000 0.239 675 D C 0.705 177.030 176.300 0.041 0.000 1.142 675 D CA 0.020 54.048 54.000 0.047 0.000 0.847 675 D CB 0.349 41.175 40.800 0.044 0.000 1.082 675 D HN 0.172 nan 8.370 nan 0.000 0.480 676 N N 2.808 121.530 118.700 0.037 0.000 2.688 676 N HA -0.250 4.490 4.740 0.001 0.000 0.258 676 N C -1.323 174.206 175.510 0.033 0.000 1.016 676 N CA 0.687 53.756 53.050 0.031 0.000 0.747 676 N CB -0.452 38.050 38.487 0.024 0.000 0.895 676 N HN 0.452 nan 8.380 nan 0.000 0.543 677 T N -0.524 114.053 114.554 0.040 0.000 2.841 677 T HA 0.126 4.477 4.350 0.001 0.000 0.296 677 T C -1.438 173.287 174.700 0.043 0.000 1.166 677 T CA -0.619 61.505 62.100 0.040 0.000 1.007 677 T CB 1.490 70.386 68.868 0.047 0.000 1.253 677 T HN 0.192 nan 8.240 nan 0.000 0.511 678 D N 1.847 122.271 120.400 0.040 0.000 2.359 678 D HA 0.408 5.049 4.640 0.001 0.000 0.273 678 D C -0.009 176.334 176.300 0.072 0.000 1.362 678 D CA 0.107 54.130 54.000 0.038 0.000 1.010 678 D CB -0.004 40.810 40.800 0.023 0.000 1.090 678 D HN 0.717 nan 8.370 nan 0.000 0.521 679 A N 3.095 125.960 122.820 0.076 0.000 2.295 679 A HA 0.623 4.944 4.320 0.001 0.000 0.318 679 A C -0.567 177.085 177.584 0.114 0.000 1.134 679 A CA -0.630 51.471 52.037 0.106 0.000 0.827 679 A CB 1.432 20.492 19.000 0.101 0.000 1.136 679 A HN 0.341 nan 8.150 nan 0.000 0.493 680 V N 2.101 122.107 119.914 0.154 0.000 2.483 680 V HA 0.359 4.479 4.120 0.001 0.000 0.297 680 V C -0.382 175.768 176.094 0.094 0.000 1.027 680 V CA -0.506 61.838 62.300 0.073 0.000 0.855 680 V CB 1.528 33.387 31.823 0.061 0.000 0.995 680 V HN 0.672 nan 8.190 nan 0.000 0.424 681 V N 4.042 123.947 119.914 -0.015 0.000 2.509 681 V HA 0.472 4.593 4.120 0.001 0.000 0.284 681 V C -0.905 175.171 176.094 -0.031 0.000 1.047 681 V CA -0.468 61.896 62.300 0.107 0.000 0.952 681 V CB 1.535 33.416 31.823 0.096 0.000 0.988 681 V HN 0.896 nan 8.190 nan 0.000 0.469 682 W N 4.582 126.013 121.300 0.218 0.000 2.538 682 W HA 0.748 5.409 4.660 0.001 0.000 0.322 682 W C -0.325 176.369 176.519 0.291 0.000 1.028 682 W CA -0.660 56.822 57.345 0.228 0.000 1.228 682 W CB 1.187 30.755 29.460 0.180 0.000 1.356 682 W HN 0.278 nan 8.180 nan 0.000 0.452 683 M N 3.170 123.040 119.600 0.450 0.000 2.243 683 M HA 0.470 4.951 4.480 0.001 0.000 0.324 683 M C -0.371 176.189 176.300 0.434 0.000 1.031 683 M CA -0.402 55.133 55.300 0.392 0.000 0.949 683 M CB 1.986 34.751 32.600 0.276 0.000 1.615 683 M HN 0.217 nan 8.290 nan 0.000 0.430 684 T N 1.519 116.327 114.554 0.422 0.000 2.797 684 T HA 0.550 4.901 4.350 0.001 0.000 0.279 684 T C -0.514 174.392 174.700 0.344 0.000 0.991 684 T CA -0.403 61.936 62.100 0.398 0.000 0.979 684 T CB 1.608 70.740 68.868 0.439 0.000 0.943 684 T HN 0.713 nan 8.240 nan 0.000 0.444 685 T N 1.790 116.560 114.554 0.359 0.000 2.971 685 T HA 0.729 5.079 4.350 0.001 0.000 0.304 685 T C -0.438 174.484 174.700 0.371 0.000 1.038 685 T CA -0.370 61.939 62.100 0.348 0.000 1.007 685 T CB 1.087 70.180 68.868 0.376 0.000 1.055 685 T HN 0.805 nan 8.240 nan 0.000 0.451 686 G N 1.771 110.735 108.800 0.274 0.000 2.725 686 G HA2 0.773 4.733 3.960 0.001 0.000 0.288 686 G HA3 0.773 4.733 3.960 0.001 0.000 0.288 686 G C -0.695 174.326 174.900 0.202 0.000 1.399 686 G CA -0.528 44.714 45.100 0.237 0.000 0.859 686 G HN 0.995 nan 8.290 nan 0.000 0.479 687 T N -2.785 111.879 114.554 0.182 0.000 2.907 687 T HA 0.690 5.041 4.350 0.001 0.000 0.292 687 T C -0.716 173.997 174.700 0.023 0.000 1.043 687 T CA -0.679 61.505 62.100 0.140 0.000 1.003 687 T CB 2.034 71.039 68.868 0.229 0.000 1.084 687 T HN 0.390 nan 8.240 nan 0.000 0.483 688 T N 1.852 116.380 114.554 -0.044 0.000 2.821 688 T HA 0.301 4.651 4.350 0.001 0.000 0.307 688 T C -0.656 173.916 174.700 -0.213 0.000 1.034 688 T CA -0.434 61.586 62.100 -0.133 0.000 0.953 688 T CB -0.139 68.669 68.868 -0.100 0.000 0.968 688 T HN 0.791 nan 8.240 nan 0.000 0.462 689 H N 3.769 122.531 119.070 -0.513 0.000 2.820 689 H HA 0.467 5.024 4.556 0.001 0.000 0.278 689 H C -0.665 174.366 175.328 -0.494 0.000 1.142 689 H CA -0.654 54.995 56.048 -0.663 0.000 1.346 689 H CB 0.304 29.595 29.762 -0.784 0.000 1.438 689 H HN 0.275 nan 8.280 nan 0.000 0.473 690 V N 5.221 125.069 119.914 -0.110 0.000 2.383 690 V HA 0.321 4.442 4.120 0.001 0.000 0.275 690 V C 0.651 176.749 176.094 0.008 0.000 1.036 690 V CA -0.537 61.697 62.300 -0.110 0.000 0.889 690 V CB 0.729 32.506 31.823 -0.077 0.000 0.985 690 V HN 0.894 nan 8.190 nan 0.000 0.459 691 A N 6.657 129.409 122.820 -0.112 0.000 2.327 691 A HA 0.810 5.130 4.320 0.001 0.000 0.255 691 A C 0.359 177.979 177.584 0.059 0.000 1.099 691 A CA -0.250 51.786 52.037 -0.000 0.000 0.801 691 A CB 0.463 19.390 19.000 -0.122 0.000 1.062 691 A HN 1.001 nan 8.150 nan 0.000 0.496 692 R N -1.466 119.101 120.500 0.112 0.000 2.710 692 R HA 0.630 4.971 4.340 0.001 0.000 0.270 692 R C 0.279 176.640 176.300 0.102 0.000 1.021 692 R CA -0.170 55.982 56.100 0.086 0.000 0.889 692 R CB 1.217 31.575 30.300 0.096 0.000 1.243 692 R HN 0.748 nan 8.270 nan 0.000 0.464 693 A N 1.008 123.876 122.820 0.079 0.000 2.076 693 A HA -0.146 4.175 4.320 0.001 0.000 0.220 693 A C 1.302 178.970 177.584 0.140 0.000 1.160 693 A CA 1.648 53.749 52.037 0.108 0.000 0.653 693 A CB -0.526 18.515 19.000 0.068 0.000 0.801 693 A HN 0.814 nan 8.150 nan 0.000 0.455 694 E N 0.359 120.626 120.200 0.112 0.000 2.338 694 E HA -0.105 4.246 4.350 0.001 0.000 0.197 694 E C 1.148 177.815 176.600 0.111 0.000 1.007 694 E CA 1.092 57.548 56.400 0.094 0.000 0.849 694 E CB -0.132 29.611 29.700 0.071 0.000 0.774 694 E HN 0.795 nan 8.360 nan 0.000 0.506 695 E N -0.817 119.483 120.200 0.167 0.000 2.465 695 E HA 0.055 4.405 4.350 0.001 0.000 0.195 695 E C -0.359 176.404 176.600 0.272 0.000 1.028 695 E CA -0.268 56.246 56.400 0.189 0.000 0.899 695 E CB 0.419 30.270 29.700 0.253 0.000 1.032 695 E HN 0.175 nan 8.360 nan 0.000 0.468 696 W N 1.822 123.132 121.300 0.017 0.000 3.022 696 W HA 0.239 4.899 4.660 0.001 0.000 0.335 696 W C -2.329 174.198 176.519 0.014 0.000 1.133 696 W CA -2.118 55.232 57.345 0.009 0.000 1.219 696 W CB 1.710 31.177 29.460 0.012 0.000 1.409 696 W HN -0.143 nan 8.180 nan 0.000 0.507 697 P HA 0.027 nan 4.420 nan 0.000 0.226 697 P C 0.120 177.035 177.300 -0.642 0.000 1.153 697 P CA 1.021 63.432 63.100 -1.148 0.000 0.777 697 P CB 1.425 32.669 31.700 -0.760 0.000 0.794 698 I N -0.910 119.483 120.570 -0.295 0.000 2.619 698 I HA 0.355 4.526 4.170 0.001 0.000 0.292 698 I C -0.782 175.262 176.117 -0.123 0.000 1.100 698 I CA -1.686 59.459 61.300 -0.259 0.000 1.043 698 I CB 2.723 40.555 38.000 -0.280 0.000 1.239 698 I HN -0.294 nan 8.210 nan 0.000 0.420 699 M N 9.368 128.901 119.600 -0.112 0.000 2.146 699 M HA 0.518 4.998 4.480 0.001 0.000 0.357 699 M C -2.453 173.778 176.300 -0.116 0.000 1.261 699 M CA -1.445 53.821 55.300 -0.057 0.000 1.106 699 M CB 1.070 33.670 32.600 0.001 0.000 1.612 699 M HN 0.261 nan 8.290 nan 0.000 0.470 700 P HA 0.067 nan 4.420 nan 0.000 0.268 700 P C -0.888 176.316 177.300 -0.160 0.000 1.204 700 P CA 0.037 63.078 63.100 -0.098 0.000 0.768 700 P CB 0.275 31.942 31.700 -0.056 0.000 0.842 701 T N 3.770 118.223 114.554 -0.168 0.000 2.849 701 T HA -0.001 4.350 4.350 0.001 0.000 0.289 701 T C 0.291 174.797 174.700 -0.325 0.000 1.010 701 T CA 0.331 62.255 62.100 -0.293 0.000 1.161 701 T CB -0.161 68.562 68.868 -0.242 0.000 0.989 701 T HN 0.342 nan 8.240 nan 0.000 0.523 702 E N 2.069 121.970 120.200 -0.499 0.000 2.183 702 E HA 0.358 4.709 4.350 0.001 0.000 0.271 702 E C -0.871 175.409 176.600 -0.533 0.000 0.919 702 E CA -0.483 55.646 56.400 -0.451 0.000 0.781 702 E CB 1.683 30.983 29.700 -0.667 0.000 1.140 702 E HN 0.619 nan 8.360 nan 0.000 0.402 703 W N 1.331 122.473 121.300 -0.264 0.000 2.781 703 W HA 0.489 5.150 4.660 0.001 0.000 0.345 703 W C -0.323 175.933 176.519 -0.439 0.000 1.085 703 W CA -0.811 56.332 57.345 -0.336 0.000 1.198 703 W CB 1.543 30.816 29.460 -0.312 0.000 1.423 703 W HN 0.194 nan 8.180 nan 0.000 0.532 704 V N -0.333 119.436 119.914 -0.243 0.000 2.680 704 V HA 0.615 4.736 4.120 0.001 0.000 0.309 704 V C -0.747 175.096 176.094 -0.418 0.000 1.052 704 V CA -0.862 61.276 62.300 -0.270 0.000 0.908 704 V CB 1.612 33.424 31.823 -0.018 0.000 1.001 704 V HN 0.616 nan 8.190 nan 0.000 0.431 705 H N 2.535 121.616 119.070 0.018 0.000 2.622 705 H HA 0.816 5.373 4.556 0.001 0.000 0.363 705 H C -0.220 175.053 175.328 -0.092 0.000 1.151 705 H CA -0.004 56.005 56.048 -0.066 0.000 1.184 705 H CB 2.343 32.046 29.762 -0.098 0.000 1.643 705 H HN 1.022 nan 8.280 nan 0.000 0.531 706 T N -0.056 114.478 114.554 -0.032 0.000 2.906 706 T HA 0.642 4.992 4.350 0.001 0.000 0.295 706 T C -0.922 173.690 174.700 -0.147 0.000 1.075 706 T CA -0.854 61.185 62.100 -0.100 0.000 1.005 706 T CB 2.076 70.852 68.868 -0.155 0.000 1.136 706 T HN 0.289 nan 8.240 nan 0.000 0.498 707 L N 0.834 121.974 121.223 -0.137 0.000 2.506 707 L HA 0.726 5.066 4.340 0.001 0.000 0.257 707 L C -1.946 174.867 176.870 -0.095 0.000 0.964 707 L CA -0.851 53.907 54.840 -0.135 0.000 0.836 707 L CB 2.210 44.206 42.059 -0.105 0.000 1.384 707 L HN 0.846 nan 8.230 nan 0.000 0.410 708 L N 3.835 125.017 121.223 -0.069 0.000 2.372 708 L HA 0.583 4.924 4.340 0.001 0.000 0.273 708 L C -0.772 176.167 176.870 0.116 0.000 0.989 708 L CA -0.611 54.270 54.840 0.068 0.000 0.841 708 L CB 1.583 43.691 42.059 0.083 0.000 1.225 708 L HN 0.485 nan 8.230 nan 0.000 0.414 709 K N 4.295 124.736 120.400 0.067 0.000 2.324 709 K HA 0.509 4.830 4.320 0.001 0.000 0.253 709 K C -2.616 173.734 176.600 -0.418 0.000 0.932 709 K CA -1.842 54.392 56.287 -0.088 0.000 0.799 709 K CB 2.335 34.829 32.500 -0.010 0.000 1.154 709 K HN 0.222 nan 8.250 nan 0.000 0.425 710 P HA -0.067 nan 4.420 nan 0.000 0.271 710 P C -0.966 176.172 177.300 -0.269 0.000 1.220 710 P CA -0.033 62.444 63.100 -1.038 0.000 0.768 710 P CB 0.559 31.877 31.700 -0.636 0.000 0.848 711 W N 5.733 126.854 121.300 -0.298 0.000 2.466 711 W HA 0.158 4.819 4.660 0.001 0.000 0.303 711 W C -0.381 176.109 176.519 -0.049 0.000 0.999 711 W CA -0.308 56.969 57.345 -0.114 0.000 1.437 711 W CB 0.093 29.507 29.460 -0.077 0.000 1.274 711 W HN 0.545 nan 8.180 nan 0.000 0.417 712 N N 3.347 121.989 118.700 -0.097 0.000 2.782 712 N HA -0.321 4.420 4.740 0.001 0.000 0.251 712 N C 0.382 175.885 175.510 -0.011 0.000 1.101 712 N CA 1.543 54.567 53.050 -0.043 0.000 0.764 712 N CB -2.015 36.486 38.487 0.023 0.000 1.122 712 N HN 0.551 nan 8.380 nan 0.000 0.561 713 F N 0.077 119.891 119.950 -0.227 0.000 2.163 713 F HA 0.146 4.673 4.527 0.001 0.000 0.297 713 F C 0.857 176.322 175.800 -0.559 0.000 1.094 713 F CA 1.028 58.775 58.000 -0.423 0.000 1.290 713 F CB 0.162 38.781 39.000 -0.634 0.000 1.017 713 F HN -0.030 nan 8.300 nan 0.000 0.483 714 F N 0.244 120.232 119.950 0.063 0.000 2.461 714 F HA 0.258 4.786 4.527 0.001 0.000 0.332 714 F C 1.243 177.003 175.800 -0.066 0.000 1.073 714 F CA -0.849 57.135 58.000 -0.027 0.000 1.017 714 F CB 0.244 39.219 39.000 -0.043 0.000 1.301 714 F HN -0.261 nan 8.300 nan 0.000 0.492 715 D N -0.549 119.942 120.400 0.153 0.000 2.407 715 D HA 0.094 4.734 4.640 0.001 0.000 0.208 715 D C -0.038 176.268 176.300 0.011 0.000 1.083 715 D CA 0.495 54.520 54.000 0.042 0.000 0.844 715 D CB 0.535 41.348 40.800 0.021 0.000 0.967 715 D HN 0.741 nan 8.370 nan 0.000 0.506 716 E N -1.449 118.762 120.200 0.019 0.000 2.435 716 E HA 0.216 4.567 4.350 0.001 0.000 0.277 716 E C -1.154 175.406 176.600 -0.068 0.000 1.106 716 E CA -0.822 55.554 56.400 -0.040 0.000 0.868 716 E CB 0.248 29.921 29.700 -0.045 0.000 1.454 716 E HN -0.324 nan 8.360 nan 0.000 0.452 717 T N 2.817 117.310 114.554 -0.102 0.000 2.738 717 T HA 0.025 4.375 4.350 0.001 0.000 0.277 717 T C -1.802 172.821 174.700 -0.129 0.000 0.981 717 T CA -0.311 61.720 62.100 -0.116 0.000 1.211 717 T CB 0.109 68.879 68.868 -0.163 0.000 0.932 717 T HN 0.323 nan 8.240 nan 0.000 0.522 718 P HA -0.065 nan 4.420 nan 0.000 0.219 718 P C 1.348 178.541 177.300 -0.178 0.000 1.146 718 P CA 0.863 63.741 63.100 -0.371 0.000 0.808 718 P CB 0.006 31.255 31.700 -0.752 0.000 0.779 719 T N -4.611 109.925 114.554 -0.030 0.000 3.186 719 T HA 0.238 4.588 4.350 0.001 0.000 0.257 719 T C 1.436 176.210 174.700 0.123 0.000 1.029 719 T CA -0.225 61.900 62.100 0.043 0.000 0.916 719 T CB -0.867 68.050 68.868 0.083 0.000 1.041 719 T HN -0.012 nan 8.240 nan 0.000 0.562 720 L N 1.151 122.423 121.223 0.082 0.000 2.131 720 L HA 0.216 4.557 4.340 0.001 0.000 0.210 720 L C 1.624 178.531 176.870 0.060 0.000 1.092 720 L CA 1.392 56.287 54.840 0.090 0.000 0.759 720 L CB -0.821 41.231 42.059 -0.011 0.000 0.903 720 L HN 0.776 nan 8.230 nan 0.000 0.435 721 G N -1.765 107.044 108.800 0.014 0.000 2.408 721 G HA2 0.101 4.062 3.960 0.001 0.000 0.682 721 G HA3 0.101 4.062 3.960 0.001 0.000 0.682 721 G C -0.769 174.124 174.900 -0.012 0.000 1.303 721 G CA -0.592 44.506 45.100 -0.002 0.000 0.966 721 G HN 0.310 nan 8.290 nan 0.000 0.560 722 A N -0.541 122.269 122.820 -0.016 0.000 2.450 722 A HA 0.595 4.916 4.320 0.001 0.000 0.255 722 A C 0.494 178.073 177.584 -0.009 0.000 1.096 722 A CA 0.107 52.136 52.037 -0.014 0.000 0.778 722 A CB 0.785 19.774 19.000 -0.017 0.000 1.031 722 A HN 1.989 nan 8.150 nan 0.000 0.494 723 L N 2.370 123.588 121.223 -0.008 0.000 2.410 723 L HA 0.155 4.496 4.340 0.001 0.000 0.273 723 L C 1.462 178.328 176.870 -0.007 0.000 1.144 723 L CA 0.571 55.407 54.840 -0.008 0.000 0.863 723 L CB 0.353 42.408 42.059 -0.008 0.000 1.140 723 L HN 0.883 nan 8.230 nan 0.000 0.463 724 K N 3.225 123.621 120.400 -0.006 0.000 2.167 724 K HA 0.011 4.331 4.320 0.001 0.000 0.203 724 K C 0.190 176.786 176.600 -0.006 0.000 1.052 724 K CA 0.973 57.257 56.287 -0.006 0.000 0.956 724 K CB 0.313 32.810 32.500 -0.005 0.000 0.735 724 K HN 0.574 nan 8.250 nan 0.000 0.451 725 K N 1.110 121.506 120.400 -0.006 0.000 2.328 725 K HA 0.085 4.405 4.320 0.001 0.000 0.246 725 K C -1.291 175.305 176.600 -0.007 0.000 0.955 725 K CA -0.426 55.857 56.287 -0.006 0.000 0.817 725 K CB 1.528 34.024 32.500 -0.007 0.000 1.208 725 K HN 0.378 nan 8.250 nan 0.000 0.432 726 D N 0.000 120.396 120.400 -0.006 0.000 6.856 726 D HA 0.000 4.641 4.640 0.001 0.000 0.175 726 D CA 0.000 53.996 54.000 -0.007 0.000 0.868 726 D CB 0.000 40.796 40.800 -0.007 0.000 0.688 726 D HN 0.000 nan 8.370 nan 0.000 0.683