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 1d6u_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 WYFKAYLDSG 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 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 0.000 175.348 175.328 0.034 0.000 0.993 6 H CA 0.000 56.052 56.048 0.007 0.000 1.023 6 H CB 0.000 29.767 29.762 0.007 0.000 1.292 7 M N 0.795 120.263 119.600 -0.220 0.000 2.755 7 M HA 0.616 5.096 4.480 0.001 0.000 0.298 7 M C -0.791 175.515 176.300 0.009 0.000 1.251 7 M CA -1.315 53.879 55.300 -0.176 0.000 0.817 7 M CB 3.077 35.686 32.600 0.014 0.000 1.760 7 M HN 0.406 nan 8.290 nan 0.000 0.473 8 V N 1.667 121.637 119.914 0.093 0.000 2.962 8 V HA 0.649 4.769 4.120 0.001 0.000 0.313 8 V C -2.487 173.571 176.094 -0.060 0.000 1.099 8 V CA -2.250 60.122 62.300 0.121 0.000 0.971 8 V CB 2.817 34.626 31.823 -0.024 0.000 1.028 8 V HN 0.625 nan 8.190 nan 0.000 0.430 9 P HA 0.054 nan 4.420 nan 0.000 0.267 9 P C 0.569 177.529 177.300 -0.565 0.000 1.209 9 P CA 0.257 62.766 63.100 -0.986 0.000 0.763 9 P CB 0.861 31.990 31.700 -0.951 0.000 0.816 10 M N 3.354 122.596 119.600 -0.596 0.000 2.059 10 M HA -0.225 4.256 4.480 0.001 0.000 0.259 10 M C 1.107 177.181 176.300 -0.377 0.000 1.072 10 M CA 2.243 57.243 55.300 -0.501 0.000 1.117 10 M CB -0.553 31.660 32.600 -0.644 0.000 1.320 10 M HN 0.199 nan 8.290 nan 0.000 0.408 11 D N 0.274 120.463 120.400 -0.351 0.000 2.108 11 D HA -0.240 4.401 4.640 0.001 0.000 0.190 11 D C 1.867 178.071 176.300 -0.160 0.000 0.995 11 D CA 1.967 55.840 54.000 -0.212 0.000 0.834 11 D CB -0.243 40.456 40.800 -0.169 0.000 0.967 11 D HN 0.334 nan 8.370 nan 0.000 0.446 12 K N -0.212 120.077 120.400 -0.186 0.000 2.015 12 K HA -0.207 4.114 4.320 0.001 0.000 0.216 12 K C 2.006 178.548 176.600 -0.097 0.000 1.052 12 K CA 2.042 58.250 56.287 -0.131 0.000 0.937 12 K CB -0.341 32.067 32.500 -0.153 0.000 0.719 12 K HN 0.094 nan 8.250 nan 0.000 0.446 13 T N 2.050 116.528 114.554 -0.126 0.000 2.684 13 T HA -0.156 4.194 4.350 0.001 0.000 0.267 13 T C 1.847 176.537 174.700 -0.017 0.000 1.036 13 T CA 1.652 63.706 62.100 -0.077 0.000 1.148 13 T CB -0.186 68.613 68.868 -0.115 0.000 0.863 13 T HN 0.187 nan 8.240 nan 0.000 0.436 14 L N 0.014 121.216 121.223 -0.036 0.000 2.056 14 L HA -0.097 4.244 4.340 0.001 0.000 0.207 14 L C 2.670 179.590 176.870 0.083 0.000 1.078 14 L CA 1.194 56.070 54.840 0.060 0.000 0.749 14 L CB -0.417 41.659 42.059 0.029 0.000 0.901 14 L HN 0.129 nan 8.230 nan 0.000 0.433 15 K N 0.179 120.588 120.400 0.015 0.000 2.032 15 K HA -0.161 4.160 4.320 0.001 0.000 0.209 15 K C 2.047 178.652 176.600 0.007 0.000 1.048 15 K CA 1.150 57.438 56.287 0.002 0.000 0.927 15 K CB -0.298 32.192 32.500 -0.016 0.000 0.712 15 K HN 0.190 nan 8.250 nan 0.000 0.441 16 E N -0.202 120.010 120.200 0.020 0.000 2.097 16 E HA -0.226 4.125 4.350 0.001 0.000 0.196 16 E C 1.929 178.565 176.600 0.060 0.000 1.000 16 E CA 1.080 57.498 56.400 0.029 0.000 0.804 16 E CB -0.405 29.316 29.700 0.034 0.000 0.740 16 E HN 0.306 nan 8.360 nan 0.000 0.454 17 F N 0.651 120.550 119.950 -0.085 0.000 2.365 17 F HA 0.044 4.572 4.527 0.001 0.000 0.300 17 F C 1.469 177.187 175.800 -0.137 0.000 1.090 17 F CA 1.548 59.477 58.000 -0.119 0.000 1.408 17 F CB 0.081 38.985 39.000 -0.160 0.000 1.060 17 F HN 0.154 nan 8.300 nan 0.000 0.534 18 G N 0.040 108.713 108.800 -0.212 0.000 2.134 18 G HA2 -0.016 3.945 3.960 0.001 0.000 0.209 18 G HA3 -0.016 3.945 3.960 0.001 0.000 0.209 18 G C 0.176 174.919 174.900 -0.263 0.000 0.993 18 G CA -0.003 44.929 45.100 -0.279 0.000 0.669 18 G HN 0.834 nan 8.290 nan 0.000 0.519 19 A N -0.287 122.439 122.820 -0.157 0.000 2.303 19 A HA 0.695 5.016 4.320 0.001 0.000 0.317 19 A C -0.075 177.517 177.584 0.015 0.000 1.149 19 A CA 0.236 52.236 52.037 -0.062 0.000 0.822 19 A CB 0.904 19.929 19.000 0.042 0.000 1.131 19 A HN 0.476 nan 8.150 nan 0.000 0.493 20 D N 0.696 121.122 120.400 0.042 0.000 2.264 20 D HA 0.439 5.080 4.640 0.001 0.000 0.250 20 D C -0.771 175.584 176.300 0.091 0.000 1.113 20 D CA 0.224 54.258 54.000 0.056 0.000 0.871 20 D CB 1.032 41.866 40.800 0.057 0.000 1.167 20 D HN 0.178 nan 8.370 nan 0.000 0.447 21 V N 4.258 124.230 119.914 0.096 0.000 2.409 21 V HA 0.386 4.506 4.120 0.001 0.000 0.291 21 V C -0.425 175.784 176.094 0.192 0.000 1.020 21 V CA -0.682 61.705 62.300 0.145 0.000 0.848 21 V CB 1.348 33.236 31.823 0.109 0.000 0.990 21 V HN 0.542 nan 8.190 nan 0.000 0.430 22 Q N 4.281 124.229 119.800 0.247 0.000 2.337 22 Q HA 0.434 4.774 4.340 0.001 0.000 0.270 22 Q C -1.178 175.015 176.000 0.323 0.000 1.043 22 Q CA -0.290 55.648 55.803 0.226 0.000 0.794 22 Q CB 2.856 31.670 28.738 0.126 0.000 1.281 22 Q HN 0.857 nan 8.270 nan 0.000 0.446 23 W N 4.121 125.444 121.300 0.039 0.000 2.475 23 W HA 0.372 5.033 4.660 0.001 0.000 0.317 23 W C -1.410 175.028 176.519 -0.136 0.000 1.046 23 W CA -0.528 56.714 57.345 -0.172 0.000 1.215 23 W CB 1.445 30.776 29.460 -0.214 0.000 1.335 23 W HN 0.638 nan 8.180 nan 0.000 0.471 24 D N 4.486 124.290 120.400 -0.993 0.000 2.441 24 D HA 0.036 4.676 4.640 0.001 0.000 0.231 24 D C 0.497 176.052 176.300 -1.243 0.000 1.073 24 D CA -0.004 53.525 54.000 -0.784 0.000 0.850 24 D CB 1.323 41.859 40.800 -0.439 0.000 1.062 24 D HN 0.513 nan 8.370 nan 0.000 0.524 25 D N 2.502 122.392 120.400 -0.851 0.000 2.178 25 D HA -0.236 4.405 4.640 0.001 0.000 0.202 25 D C 1.507 177.661 176.300 -0.244 0.000 0.974 25 D CA 1.032 54.749 54.000 -0.471 0.000 0.841 25 D CB 0.008 40.800 40.800 -0.014 0.000 0.953 25 D HN 0.506 nan 8.370 nan 0.000 0.478 26 Y N 0.560 120.690 120.300 -0.284 0.000 2.200 26 Y HA 0.019 4.570 4.550 0.001 0.000 0.290 26 Y C 1.949 177.731 175.900 -0.198 0.000 1.137 26 Y CA 1.791 59.782 58.100 -0.181 0.000 1.163 26 Y CB -0.416 37.961 38.460 -0.139 0.000 0.988 26 Y HN 0.012 nan 8.280 nan 0.000 0.518 27 A N -0.755 121.883 122.820 -0.303 0.000 2.218 27 A HA 0.079 4.400 4.320 0.001 0.000 0.209 27 A C 0.641 178.005 177.584 -0.367 0.000 1.168 27 A CA 0.446 52.273 52.037 -0.350 0.000 0.804 27 A CB -0.171 18.711 19.000 -0.197 0.000 0.834 27 A HN 0.492 nan 8.150 nan 0.000 0.482 28 Q N -1.855 117.635 119.800 -0.518 0.000 2.451 28 Q HA -0.205 4.136 4.340 0.001 0.000 0.305 28 Q C -0.791 174.945 176.000 -0.440 0.000 1.345 28 Q CA 0.897 56.409 55.803 -0.484 0.000 0.854 28 Q CB -1.911 26.756 28.738 -0.119 0.000 1.162 28 Q HN 0.577 nan 8.270 nan 0.000 0.440 29 L N -0.309 120.478 121.223 -0.727 0.000 2.408 29 L HA 0.682 5.023 4.340 0.001 0.000 0.268 29 L C -1.153 175.530 176.870 -0.311 0.000 0.986 29 L CA -0.565 54.077 54.840 -0.330 0.000 0.820 29 L CB 1.394 43.340 42.059 -0.187 0.000 1.303 29 L HN 0.015 nan 8.230 nan 0.000 0.411 30 F N 2.257 122.287 119.950 0.135 0.000 2.420 30 F HA 0.626 5.154 4.527 0.001 0.000 0.342 30 F C 0.397 176.243 175.800 0.077 0.000 1.113 30 F CA -0.237 57.886 58.000 0.206 0.000 1.059 30 F CB 2.100 41.250 39.000 0.251 0.000 1.128 30 F HN 0.367 nan 8.300 nan 0.000 0.475 31 T N 5.611 120.313 114.554 0.246 0.000 2.791 31 T HA 0.612 4.963 4.350 0.001 0.000 0.288 31 T C -0.538 174.196 174.700 0.056 0.000 0.999 31 T CA -0.544 61.581 62.100 0.042 0.000 0.952 31 T CB 0.494 69.339 68.868 -0.039 0.000 0.938 31 T HN 0.280 nan 8.240 nan 0.000 0.444 32 L N 4.546 125.776 121.223 0.012 0.000 2.341 32 L HA 0.691 5.032 4.340 0.001 0.000 0.278 32 L C -0.573 176.342 176.870 0.074 0.000 1.005 32 L CA -0.976 53.939 54.840 0.125 0.000 0.818 32 L CB 1.642 43.878 42.059 0.295 0.000 1.259 32 L HN 0.488 nan 8.230 nan 0.000 0.418 33 I N 3.261 123.907 120.570 0.126 0.000 2.498 33 I HA 0.461 4.631 4.170 0.001 0.000 0.290 33 I C -0.613 175.610 176.117 0.176 0.000 1.032 33 I CA -0.644 60.745 61.300 0.148 0.000 1.073 33 I CB 2.236 40.302 38.000 0.111 0.000 1.251 33 I HN 0.428 nan 8.210 nan 0.000 0.426 34 K N 5.866 126.403 120.400 0.229 0.000 2.729 34 K HA 0.319 4.640 4.320 0.001 0.000 0.269 34 K C -0.582 176.114 176.600 0.161 0.000 1.065 34 K CA -0.206 56.135 56.287 0.091 0.000 1.000 34 K CB 0.532 32.968 32.500 -0.106 0.000 1.283 34 K HN 0.676 nan 8.250 nan 0.000 0.491 35 D N 1.991 122.469 120.400 0.130 0.000 3.845 35 D HA -0.263 4.378 4.640 0.001 0.000 0.144 35 D C 0.945 177.383 176.300 0.229 0.000 0.889 35 D CA 2.222 56.336 54.000 0.190 0.000 1.096 35 D CB -1.043 39.891 40.800 0.223 0.000 0.515 35 D HN 0.646 nan 8.370 nan 0.000 0.525 36 G N 0.533 109.490 108.800 0.260 0.000 2.744 36 G HA2 0.330 4.291 3.960 0.001 0.000 0.211 36 G HA3 0.330 4.291 3.960 0.001 0.000 0.211 36 G C 0.400 175.427 174.900 0.213 0.000 1.143 36 G CA 1.072 46.289 45.100 0.195 0.000 0.788 36 G HN 0.646 nan 8.290 nan 0.000 0.534 37 A N 0.030 123.020 122.820 0.284 0.000 2.260 37 A HA 0.615 4.936 4.320 0.001 0.000 0.308 37 A C -1.494 176.279 177.584 0.316 0.000 1.254 37 A CA -0.644 51.572 52.037 0.297 0.000 0.874 37 A CB 0.522 19.770 19.000 0.414 0.000 1.153 37 A HN 0.291 nan 8.150 nan 0.000 0.527 38 Y N 3.410 123.787 120.300 0.128 0.000 2.376 38 Y HA 0.521 5.072 4.550 0.001 0.000 0.326 38 Y C -0.901 175.044 175.900 0.075 0.000 0.970 38 Y CA -0.545 57.624 58.100 0.115 0.000 1.248 38 Y CB 1.259 39.769 38.460 0.083 0.000 1.117 38 Y HN 0.461 nan 8.280 nan 0.000 0.476 39 V N 5.946 125.772 119.914 -0.146 0.000 2.667 39 V HA 0.543 4.663 4.120 0.001 0.000 0.308 39 V C -0.728 175.306 176.094 -0.101 0.000 1.048 39 V CA -1.124 61.119 62.300 -0.096 0.000 0.928 39 V CB 1.959 33.703 31.823 -0.133 0.000 1.004 39 V HN 0.600 nan 8.190 nan 0.000 0.444 40 K N 2.249 122.653 120.400 0.005 0.000 2.443 40 K HA 0.801 5.121 4.320 0.001 0.000 0.252 40 K C -1.771 174.894 176.600 0.108 0.000 0.933 40 K CA -0.620 55.705 56.287 0.062 0.000 0.792 40 K CB 2.575 35.125 32.500 0.082 0.000 1.185 40 K HN 0.441 nan 8.250 nan 0.000 0.425 41 V N 3.229 123.253 119.914 0.184 0.000 2.777 41 V HA 0.363 4.483 4.120 0.001 0.000 0.306 41 V C -1.719 174.549 176.094 0.290 0.000 1.112 41 V CA -0.740 61.693 62.300 0.222 0.000 0.917 41 V CB 1.873 33.861 31.823 0.276 0.000 1.018 41 V HN 0.656 nan 8.190 nan 0.000 0.426 42 K N 6.772 127.301 120.400 0.216 0.000 2.156 42 K HA 0.559 4.880 4.320 0.001 0.000 0.271 42 K C -2.685 174.063 176.600 0.247 0.000 0.995 42 K CA -1.770 54.646 56.287 0.214 0.000 0.890 42 K CB 1.673 34.240 32.500 0.112 0.000 1.073 42 K HN 0.449 nan 8.250 nan 0.000 0.454 43 P HA -0.073 nan 4.420 nan 0.000 0.265 43 P C 0.638 178.032 177.300 0.157 0.000 1.193 43 P CA 0.895 64.147 63.100 0.252 0.000 0.765 43 P CB 0.594 32.458 31.700 0.274 0.000 0.823 44 G N 1.827 110.702 108.800 0.124 0.000 2.284 44 G HA2 -0.273 3.688 3.960 0.001 0.000 0.261 44 G HA3 -0.273 3.688 3.960 0.001 0.000 0.261 44 G C 0.531 175.478 174.900 0.079 0.000 0.997 44 G CA 0.109 45.261 45.100 0.088 0.000 0.621 44 G HN 0.867 nan 8.290 nan 0.000 0.534 45 A N -0.050 122.826 122.820 0.093 0.000 2.445 45 A HA 0.591 4.911 4.320 0.001 0.000 0.242 45 A C 1.354 178.979 177.584 0.069 0.000 1.075 45 A CA 0.948 53.030 52.037 0.076 0.000 0.777 45 A CB 0.360 19.410 19.000 0.084 0.000 1.013 45 A HN 0.271 nan 8.150 nan 0.000 0.493 46 Q N -0.054 119.775 119.800 0.049 0.000 2.331 46 Q HA 0.015 4.355 4.340 0.001 0.000 0.203 46 Q C 0.767 176.786 176.000 0.032 0.000 0.944 46 Q CA 1.469 57.295 55.803 0.039 0.000 0.892 46 Q CB 0.027 28.780 28.738 0.026 0.000 0.983 46 Q HN 0.980 nan 8.270 nan 0.000 0.482 47 T N -3.069 111.505 114.554 0.033 0.000 2.916 47 T HA 0.832 5.183 4.350 0.001 0.000 0.292 47 T C -0.699 174.020 174.700 0.031 0.000 1.064 47 T CA -0.631 61.480 62.100 0.019 0.000 1.011 47 T CB 2.407 71.280 68.868 0.009 0.000 1.152 47 T HN 0.044 nan 8.240 nan 0.000 0.510 48 A N 1.256 124.080 122.820 0.006 0.000 2.435 48 A HA 0.834 5.155 4.320 0.001 0.000 0.296 48 A C -1.029 176.551 177.584 -0.007 0.000 1.147 48 A CA -1.030 51.015 52.037 0.013 0.000 0.775 48 A CB 1.159 20.148 19.000 -0.018 0.000 1.340 48 A HN 0.792 nan 8.150 nan 0.000 0.427 49 I N 1.155 121.729 120.570 0.008 0.000 2.406 49 I HA 0.459 4.629 4.170 0.001 0.000 0.290 49 I C -0.823 175.296 176.117 0.004 0.000 0.999 49 I CA -0.591 60.718 61.300 0.016 0.000 1.124 49 I CB 1.091 39.123 38.000 0.054 0.000 1.289 49 I HN 0.233 nan 8.210 nan 0.000 0.441 50 V N 5.881 125.792 119.914 -0.006 0.000 2.409 50 V HA 0.360 4.480 4.120 0.001 0.000 0.290 50 V C 0.444 176.563 176.094 0.042 0.000 1.017 50 V CA -0.848 61.447 62.300 -0.009 0.000 0.841 50 V CB 0.948 32.725 31.823 -0.077 0.000 1.003 50 V HN 0.896 nan 8.190 nan 0.000 0.426 51 N N 3.982 122.746 118.700 0.107 0.000 2.725 51 N HA -0.250 4.491 4.740 0.001 0.000 0.251 51 N C 1.164 176.705 175.510 0.051 0.000 1.031 51 N CA 0.465 53.569 53.050 0.091 0.000 0.720 51 N CB -0.653 37.871 38.487 0.061 0.000 0.930 51 N HN 1.388 nan 8.380 nan 0.000 0.543 52 G N -1.264 107.574 108.800 0.064 0.000 2.184 52 G HA2 -0.334 3.626 3.960 0.001 0.000 0.264 52 G HA3 -0.334 3.626 3.960 0.001 0.000 0.264 52 G C -0.140 174.774 174.900 0.024 0.000 0.975 52 G CA 0.462 45.584 45.100 0.038 0.000 0.642 52 G HN 0.418 nan 8.290 nan 0.000 0.536 53 Q N 0.700 120.512 119.800 0.019 0.000 2.312 53 Q HA 0.457 4.798 4.340 0.001 0.000 0.263 53 Q C -2.451 173.548 176.000 -0.002 0.000 0.995 53 Q CA -1.976 53.830 55.803 0.006 0.000 0.853 53 Q CB 2.531 31.269 28.738 -0.000 0.000 1.300 53 Q HN 0.329 nan 8.270 nan 0.000 0.448 54 P HA 0.153 nan 4.420 nan 0.000 0.271 54 P C -0.845 176.441 177.300 -0.024 0.000 1.216 54 P CA -0.424 62.671 63.100 -0.009 0.000 0.771 54 P CB 0.824 32.522 31.700 -0.003 0.000 0.864 55 L N 3.320 124.522 121.223 -0.036 0.000 2.404 55 L HA 0.637 4.978 4.340 0.001 0.000 0.272 55 L C -0.631 176.209 176.870 -0.050 0.000 0.980 55 L CA -0.902 53.904 54.840 -0.058 0.000 0.836 55 L CB 1.538 43.536 42.059 -0.102 0.000 1.238 55 L HN 0.436 nan 8.230 nan 0.000 0.408 56 A N 5.930 128.726 122.820 -0.040 0.000 2.401 56 A HA 0.616 4.937 4.320 0.001 0.000 0.259 56 A C -0.658 176.903 177.584 -0.038 0.000 1.103 56 A CA -0.194 51.827 52.037 -0.027 0.000 0.789 56 A CB -0.011 18.978 19.000 -0.018 0.000 1.035 56 A HN 0.752 nan 8.150 nan 0.000 0.491 57 L N 2.333 123.545 121.223 -0.018 0.000 2.329 57 L HA 0.309 4.649 4.340 0.001 0.000 0.279 57 L C 1.597 178.472 176.870 0.007 0.000 1.014 57 L CA -0.594 54.238 54.840 -0.013 0.000 0.814 57 L CB 1.869 43.944 42.059 0.026 0.000 1.257 57 L HN 1.056 nan 8.230 nan 0.000 0.424 58 Q N 1.578 121.382 119.800 0.006 0.000 2.137 58 Q HA 0.056 4.397 4.340 0.001 0.000 0.198 58 Q C -0.075 175.942 176.000 0.029 0.000 0.960 58 Q CA 0.850 56.661 55.803 0.013 0.000 0.847 58 Q CB 0.214 28.956 28.738 0.007 0.000 0.915 58 Q HN 0.408 nan 8.270 nan 0.000 0.448 59 V N 3.193 123.137 119.914 0.049 0.000 2.409 59 V HA 0.371 4.491 4.120 0.001 0.000 0.290 59 V C -2.340 173.811 176.094 0.096 0.000 1.017 59 V CA -1.976 60.361 62.300 0.061 0.000 0.841 59 V CB 1.527 33.383 31.823 0.056 0.000 1.003 59 V HN 0.143 nan 8.190 nan 0.000 0.426 60 P HA 0.194 nan 4.420 nan 0.000 0.273 60 P C -0.410 176.947 177.300 0.095 0.000 1.250 60 P CA -0.278 62.884 63.100 0.102 0.000 0.793 60 P CB 0.538 32.285 31.700 0.078 0.000 1.011 61 V N 1.576 121.549 119.914 0.099 0.000 2.521 61 V HA 0.070 4.191 4.120 0.001 0.000 0.286 61 V C 0.315 176.452 176.094 0.072 0.000 1.034 61 V CA 0.044 62.361 62.300 0.029 0.000 1.045 61 V CB 0.796 32.626 31.823 0.010 0.000 0.974 61 V HN 0.188 nan 8.190 nan 0.000 0.480 62 V N 6.622 126.580 119.914 0.073 0.000 2.435 62 V HA 0.427 4.547 4.120 0.001 0.000 0.290 62 V C 0.029 176.216 176.094 0.154 0.000 1.030 62 V CA -0.578 61.782 62.300 0.099 0.000 0.881 62 V CB 1.555 33.419 31.823 0.069 0.000 0.983 62 V HN 0.851 nan 8.190 nan 0.000 0.445 63 M N 6.029 125.701 119.600 0.120 0.000 2.088 63 M HA 0.452 4.933 4.480 0.001 0.000 0.346 63 M C -0.574 175.784 176.300 0.097 0.000 1.111 63 M CA -0.064 55.301 55.300 0.108 0.000 1.017 63 M CB 0.473 33.110 32.600 0.061 0.000 1.568 63 M HN 0.497 nan 8.290 nan 0.000 0.445 64 K N 4.096 124.588 120.400 0.154 0.000 2.502 64 K HA 0.300 4.620 4.320 0.001 0.000 0.254 64 K C -0.964 175.696 176.600 0.100 0.000 0.947 64 K CA -0.616 55.722 56.287 0.086 0.000 0.834 64 K CB 1.165 33.658 32.500 -0.011 0.000 1.112 64 K HN 0.710 nan 8.250 nan 0.000 0.427 65 D N 3.277 123.706 120.400 0.048 0.000 2.686 65 D HA -0.220 4.421 4.640 0.001 0.000 0.235 65 D C -0.323 175.997 176.300 0.034 0.000 1.160 65 D CA 0.775 54.799 54.000 0.039 0.000 0.645 65 D CB -0.767 40.059 40.800 0.043 0.000 1.039 65 D HN 0.867 nan 8.370 nan 0.000 0.423 66 N N -1.578 117.127 118.700 0.008 0.000 2.948 66 N HA -0.195 4.546 4.740 0.001 0.000 0.239 66 N C -0.251 175.209 175.510 -0.083 0.000 0.954 66 N CA 1.176 54.195 53.050 -0.052 0.000 0.941 66 N CB -0.665 37.798 38.487 -0.039 0.000 1.101 66 N HN 0.532 nan 8.380 nan 0.000 0.579 67 K N 0.582 120.989 120.400 0.012 0.000 2.323 67 K HA 0.678 4.998 4.320 0.001 0.000 0.259 67 K C -0.204 176.411 176.600 0.025 0.000 0.947 67 K CA -0.331 55.947 56.287 -0.014 0.000 0.819 67 K CB 1.991 34.554 32.500 0.105 0.000 1.109 67 K HN 0.176 nan 8.250 nan 0.000 0.429 68 A N 2.964 125.679 122.820 -0.174 0.000 2.327 68 A HA 0.563 4.884 4.320 0.001 0.000 0.283 68 A C -1.447 175.902 177.584 -0.391 0.000 1.127 68 A CA -0.326 51.628 52.037 -0.137 0.000 0.810 68 A CB 0.188 19.061 19.000 -0.211 0.000 1.066 68 A HN 0.673 nan 8.150 nan 0.000 0.492 69 W N 0.611 121.797 121.300 -0.190 0.000 2.936 69 W HA 0.549 5.209 4.660 0.001 0.000 0.338 69 W C -0.360 176.012 176.519 -0.245 0.000 1.121 69 W CA -0.515 56.712 57.345 -0.196 0.000 1.209 69 W CB 1.860 31.242 29.460 -0.129 0.000 1.420 69 W HN 0.734 nan 8.180 nan 0.000 0.516 70 V N -0.635 119.223 119.914 -0.094 0.000 3.102 70 V HA 0.755 4.876 4.120 0.001 0.000 0.312 70 V C 0.066 176.126 176.094 -0.057 0.000 1.135 70 V CA -1.183 61.007 62.300 -0.182 0.000 1.022 70 V CB 1.127 32.601 31.823 -0.582 0.000 1.056 70 V HN 0.501 nan 8.190 nan 0.000 0.436 71 S N 0.737 116.445 115.700 0.014 0.000 2.584 71 S HA 0.070 4.541 4.470 0.001 0.000 0.270 71 S C 1.029 175.622 174.600 -0.011 0.000 1.346 71 S CA 0.416 58.619 58.200 0.005 0.000 1.018 71 S CB 0.466 63.703 63.200 0.061 0.000 0.899 71 S HN 1.122 nan 8.310 nan 0.000 0.542 72 D N 1.303 121.653 120.400 -0.083 0.000 2.371 72 D HA -0.082 4.558 4.640 0.001 0.000 0.221 72 D C 1.318 177.619 176.300 0.003 0.000 0.986 72 D CA 1.191 55.153 54.000 -0.062 0.000 0.899 72 D CB -0.539 40.213 40.800 -0.081 0.000 0.902 72 D HN 0.596 nan 8.370 nan 0.000 0.530 73 T N -3.826 110.744 114.554 0.026 0.000 3.023 73 T HA 0.076 4.427 4.350 0.001 0.000 0.253 73 T C 1.548 176.267 174.700 0.033 0.000 1.038 73 T CA -0.552 61.561 62.100 0.021 0.000 0.962 73 T CB -0.704 68.169 68.868 0.009 0.000 1.018 73 T HN 0.021 nan 8.240 nan 0.000 0.521 74 F N 2.680 122.587 119.950 -0.072 0.000 2.063 74 F HA -0.054 4.473 4.527 0.001 0.000 0.298 74 F C 1.831 177.585 175.800 -0.077 0.000 1.109 74 F CA 1.406 59.360 58.000 -0.076 0.000 1.212 74 F CB -0.446 38.508 39.000 -0.078 0.000 0.973 74 F HN 0.087 nan 8.300 nan 0.000 0.480 75 I N 0.394 121.060 120.570 0.161 0.000 2.151 75 I HA -0.395 3.776 4.170 0.001 0.000 0.243 75 I C 2.125 178.201 176.117 -0.069 0.000 1.080 75 I CA 1.654 62.957 61.300 0.005 0.000 1.339 75 I CB -0.663 37.138 38.000 -0.333 0.000 1.039 75 I HN 0.284 nan 8.210 nan 0.000 0.409 76 N N 0.636 119.286 118.700 -0.085 0.000 2.171 76 N HA -0.148 4.593 4.740 0.001 0.000 0.184 76 N C 1.403 176.864 175.510 -0.082 0.000 1.021 76 N CA 1.298 54.316 53.050 -0.054 0.000 0.854 76 N CB -0.380 38.086 38.487 -0.034 0.000 0.994 76 N HN 0.373 nan 8.380 nan 0.000 0.426 77 D N 0.826 121.143 120.400 -0.137 0.000 2.117 77 D HA -0.081 4.560 4.640 0.001 0.000 0.197 77 D C 2.079 178.225 176.300 -0.256 0.000 0.987 77 D CA 0.707 54.605 54.000 -0.171 0.000 0.829 77 D CB -0.042 40.648 40.800 -0.183 0.000 0.961 77 D HN 0.053 nan 8.370 nan 0.000 0.460 78 V N 0.408 120.065 119.914 -0.429 0.000 2.256 78 V HA -0.150 3.971 4.120 0.001 0.000 0.240 78 V C 2.128 177.933 176.094 -0.482 0.000 1.036 78 V CA 1.135 63.077 62.300 -0.596 0.000 1.008 78 V CB -0.655 30.521 31.823 -1.079 0.000 0.648 78 V HN 0.011 nan 8.190 nan 0.000 0.453 79 F N -0.071 119.791 119.950 -0.146 0.000 2.365 79 F HA -0.056 4.472 4.527 0.001 0.000 0.300 79 F C 1.995 177.808 175.800 0.022 0.000 1.090 79 F CA 0.891 58.888 58.000 -0.004 0.000 1.408 79 F CB -0.246 38.806 39.000 0.088 0.000 1.060 79 F HN 0.203 nan 8.300 nan 0.000 0.534 80 Q N -0.900 118.957 119.800 0.096 0.000 2.175 80 Q HA 0.102 4.443 4.340 0.001 0.000 0.225 80 Q C 1.931 177.939 176.000 0.014 0.000 0.837 80 Q CA 0.210 56.055 55.803 0.070 0.000 1.032 80 Q CB 0.137 28.907 28.738 0.055 0.000 1.137 80 Q HN 0.269 nan 8.270 nan 0.000 0.483 81 S N -1.183 114.500 115.700 -0.028 0.000 2.368 81 S HA -0.026 4.445 4.470 0.001 0.000 0.225 81 S C 1.687 176.279 174.600 -0.014 0.000 1.030 81 S CA 1.245 59.417 58.200 -0.048 0.000 0.999 81 S CB -0.147 62.997 63.200 -0.093 0.000 0.844 81 S HN 0.505 nan 8.310 nan 0.000 0.459 82 G N 0.530 109.336 108.800 0.010 0.000 2.255 82 G HA2 -0.169 3.792 3.960 0.001 0.000 0.196 82 G HA3 -0.169 3.792 3.960 0.001 0.000 0.196 82 G C 0.682 175.596 174.900 0.023 0.000 0.998 82 G CA 0.138 45.254 45.100 0.026 0.000 0.656 82 G HN 0.461 nan 8.290 nan 0.000 0.490 83 L N 0.932 122.159 121.223 0.005 0.000 2.376 83 L HA 0.178 4.519 4.340 0.001 0.000 0.219 83 L C 0.987 177.872 176.870 0.026 0.000 1.133 83 L CA 1.045 55.888 54.840 0.005 0.000 0.816 83 L CB -0.027 42.022 42.059 -0.017 0.000 0.933 83 L HN 0.266 nan 8.230 nan 0.000 0.449 84 D N 0.255 120.684 120.400 0.050 0.000 2.396 84 D HA 0.075 4.716 4.640 0.001 0.000 0.225 84 D C 0.525 176.882 176.300 0.095 0.000 1.121 84 D CA -0.128 53.923 54.000 0.086 0.000 0.853 84 D CB 0.936 41.821 40.800 0.141 0.000 1.043 84 D HN 0.125 nan 8.370 nan 0.000 0.500 85 Q N 2.129 121.965 119.800 0.059 0.000 2.246 85 Q HA 0.048 4.388 4.340 0.001 0.000 0.202 85 Q C 1.217 177.234 176.000 0.029 0.000 0.883 85 Q CA 0.002 55.836 55.803 0.051 0.000 0.952 85 Q CB 0.419 29.171 28.738 0.023 0.000 1.078 85 Q HN 0.471 nan 8.270 nan 0.000 0.493 86 T N 0.836 115.402 114.554 0.020 0.000 2.665 86 T HA -0.139 4.211 4.350 0.001 0.000 0.268 86 T C 0.215 174.777 174.700 -0.230 0.000 1.035 86 T CA 1.329 63.354 62.100 -0.126 0.000 1.151 86 T CB -0.088 68.713 68.868 -0.112 0.000 0.862 86 T HN 0.136 nan 8.240 nan 0.000 0.438 87 F N 1.508 121.495 119.950 0.061 0.000 2.427 87 F HA 0.484 5.012 4.527 0.001 0.000 0.346 87 F C 0.385 176.209 175.800 0.041 0.000 1.120 87 F CA -1.051 56.981 58.000 0.053 0.000 1.033 87 F CB 1.152 40.184 39.000 0.054 0.000 1.126 87 F HN -0.160 nan 8.300 nan 0.000 0.462 88 Q N 2.324 122.235 119.800 0.184 0.000 2.387 88 Q HA 0.485 4.826 4.340 0.001 0.000 0.273 88 Q C -0.727 175.342 176.000 0.116 0.000 1.089 88 Q CA -1.063 54.811 55.803 0.119 0.000 0.824 88 Q CB 2.625 31.403 28.738 0.067 0.000 1.367 88 Q HN 0.553 nan 8.270 nan 0.000 0.443 89 V N -1.231 118.735 119.914 0.088 0.000 2.555 89 V HA 0.260 4.381 4.120 0.001 0.000 0.286 89 V C 0.283 176.419 176.094 0.070 0.000 1.044 89 V CA -0.567 61.778 62.300 0.075 0.000 1.026 89 V CB 0.703 32.560 31.823 0.057 0.000 0.981 89 V HN 0.792 nan 8.190 nan 0.000 0.480 90 E N 3.529 123.774 120.200 0.075 0.000 2.290 90 E HA 0.157 4.508 4.350 0.001 0.000 0.277 90 E C 0.678 177.326 176.600 0.080 0.000 1.035 90 E CA -0.231 56.221 56.400 0.086 0.000 0.873 90 E CB 1.099 30.859 29.700 0.099 0.000 1.029 90 E HN 0.878 nan 8.360 nan 0.000 0.419 91 K N 4.038 124.487 120.400 0.081 0.000 2.078 91 K HA 0.026 4.346 4.320 0.001 0.000 0.203 91 K C 0.601 177.255 176.600 0.090 0.000 1.043 91 K CA 0.319 56.648 56.287 0.070 0.000 0.960 91 K CB 0.302 32.833 32.500 0.052 0.000 0.761 91 K HN 0.313 nan 8.250 nan 0.000 0.448 92 R N 2.455 123.031 120.500 0.128 0.000 2.215 92 R HA 0.239 4.579 4.340 0.001 0.000 0.337 92 R C -2.483 173.969 176.300 0.253 0.000 1.010 92 R CA -2.334 53.877 56.100 0.184 0.000 0.871 92 R CB 1.198 31.612 30.300 0.190 0.000 1.134 92 R HN 0.151 nan 8.270 nan 0.000 0.477 93 P HA -0.114 nan 4.420 nan 0.000 0.260 93 P C -0.844 176.454 177.300 -0.003 0.000 1.185 93 P CA 0.278 63.438 63.100 0.100 0.000 0.763 93 P CB 0.432 32.159 31.700 0.046 0.000 0.776 94 H N 6.939 125.956 119.070 -0.088 0.000 2.964 94 H HA 0.039 4.596 4.556 0.001 0.000 0.328 94 H C -0.842 174.200 175.328 -0.478 0.000 1.030 94 H CA -0.837 54.975 56.048 -0.394 0.000 1.445 94 H CB 0.725 30.429 29.762 -0.097 0.000 1.449 94 H HN 0.318 nan 8.280 nan 0.000 0.581 95 P HA -0.173 nan 4.420 nan 0.000 0.221 95 P C 0.827 177.976 177.300 -0.252 0.000 1.145 95 P CA 1.168 63.971 63.100 -0.494 0.000 0.795 95 P CB 0.367 31.715 31.700 -0.587 0.000 0.775 96 L N -0.971 120.168 121.223 -0.140 0.000 2.592 96 L HA 0.120 4.460 4.340 0.001 0.000 0.227 96 L C 0.825 177.610 176.870 -0.141 0.000 1.127 96 L CA -0.230 54.471 54.840 -0.231 0.000 0.884 96 L CB -0.967 40.791 42.059 -0.503 0.000 1.065 96 L HN -0.053 nan 8.230 nan 0.000 0.457 97 N N 1.189 119.901 118.700 0.020 0.000 2.412 97 N HA 0.165 4.906 4.740 0.001 0.000 0.254 97 N C 0.463 175.997 175.510 0.040 0.000 1.232 97 N CA -0.271 52.860 53.050 0.135 0.000 0.880 97 N CB 0.848 39.396 38.487 0.102 0.000 1.076 97 N HN 0.179 nan 8.380 nan 0.000 0.458 98 A N 2.842 125.682 122.820 0.034 0.000 2.429 98 A HA 0.154 4.474 4.320 0.001 0.000 0.242 98 A C 0.458 178.034 177.584 -0.013 0.000 1.088 98 A CA -0.355 51.678 52.037 -0.007 0.000 0.784 98 A CB 0.160 19.146 19.000 -0.024 0.000 1.038 98 A HN 0.631 nan 8.150 nan 0.000 0.501 99 L N 1.366 122.576 121.223 -0.021 0.000 2.490 99 L HA 0.145 4.486 4.340 0.001 0.000 0.274 99 L C 1.442 178.297 176.870 -0.025 0.000 1.201 99 L CA -0.056 54.769 54.840 -0.024 0.000 0.869 99 L CB -0.013 42.029 42.059 -0.029 0.000 1.123 99 L HN 0.975 nan 8.230 nan 0.000 0.484 100 T N -0.210 114.330 114.554 -0.024 0.000 2.788 100 T HA 0.356 4.707 4.350 0.001 0.000 0.280 100 T C 1.212 175.892 174.700 -0.032 0.000 0.984 100 T CA -0.202 61.883 62.100 -0.024 0.000 0.972 100 T CB 1.339 70.196 68.868 -0.018 0.000 1.039 100 T HN 0.622 nan 8.240 nan 0.000 0.530 101 A N 0.688 123.489 122.820 -0.032 0.000 1.877 101 A HA -0.102 4.218 4.320 0.001 0.000 0.216 101 A C 2.105 179.661 177.584 -0.046 0.000 1.186 101 A CA 1.768 53.781 52.037 -0.040 0.000 0.620 101 A CB -1.163 17.816 19.000 -0.035 0.000 0.822 101 A HN 0.933 nan 8.150 nan 0.000 0.443 102 D N -0.280 120.098 120.400 -0.036 0.000 2.123 102 D HA -0.164 4.477 4.640 0.001 0.000 0.196 102 D C 1.902 178.177 176.300 -0.041 0.000 0.992 102 D CA 1.621 55.599 54.000 -0.036 0.000 0.833 102 D CB -0.389 40.396 40.800 -0.026 0.000 0.954 102 D HN 0.666 nan 8.370 nan 0.000 0.455 103 E N 0.359 120.537 120.200 -0.037 0.000 2.077 103 E HA -0.116 4.235 4.350 0.001 0.000 0.193 103 E C 2.438 179.006 176.600 -0.053 0.000 0.989 103 E CA 0.360 56.737 56.400 -0.037 0.000 0.800 103 E CB 0.003 29.685 29.700 -0.030 0.000 0.746 103 E HN 0.318 nan 8.360 nan 0.000 0.452 104 I N 1.372 121.903 120.570 -0.065 0.000 2.127 104 I HA -0.325 3.846 4.170 0.001 0.000 0.241 104 I C 2.300 178.342 176.117 -0.125 0.000 1.075 104 I CA 1.414 62.656 61.300 -0.096 0.000 1.334 104 I CB -0.253 37.687 38.000 -0.099 0.000 1.040 104 I HN 0.035 nan 8.210 nan 0.000 0.405 105 K N 0.136 120.472 120.400 -0.107 0.000 2.152 105 K HA -0.258 4.062 4.320 0.001 0.000 0.206 105 K C 2.122 178.663 176.600 -0.098 0.000 1.048 105 K CA 1.285 57.505 56.287 -0.113 0.000 0.933 105 K CB -0.206 32.244 32.500 -0.083 0.000 0.721 105 K HN 0.417 nan 8.250 nan 0.000 0.447 106 Q N 0.611 120.368 119.800 -0.073 0.000 2.046 106 Q HA -0.133 4.207 4.340 0.001 0.000 0.200 106 Q C 2.129 178.096 176.000 -0.054 0.000 0.975 106 Q CA 1.396 57.167 55.803 -0.054 0.000 0.836 106 Q CB -0.106 28.610 28.738 -0.037 0.000 0.896 106 Q HN 0.326 nan 8.270 nan 0.000 0.428 107 A N 0.043 122.828 122.820 -0.058 0.000 1.940 107 A HA -0.160 4.160 4.320 0.001 0.000 0.219 107 A C 2.178 179.729 177.584 -0.055 0.000 1.176 107 A CA 1.670 53.683 52.037 -0.040 0.000 0.631 107 A CB -0.740 18.236 19.000 -0.041 0.000 0.814 107 A HN 0.325 nan 8.150 nan 0.000 0.446 108 V N -0.054 119.778 119.914 -0.137 0.000 2.427 108 V HA -0.235 3.886 4.120 0.001 0.000 0.248 108 V C 2.330 178.337 176.094 -0.145 0.000 1.051 108 V CA 2.156 64.341 62.300 -0.192 0.000 1.048 108 V CB -0.794 30.825 31.823 -0.341 0.000 0.666 108 V HN 0.648 nan 8.190 nan 0.000 0.456 109 E N -0.010 120.123 120.200 -0.112 0.000 2.106 109 E HA -0.141 4.210 4.350 0.001 0.000 0.192 109 E C 2.174 178.733 176.600 -0.068 0.000 0.984 109 E CA 1.219 57.562 56.400 -0.095 0.000 0.806 109 E CB -0.140 29.520 29.700 -0.066 0.000 0.750 109 E HN 0.560 nan 8.360 nan 0.000 0.458 110 I N 1.059 121.610 120.570 -0.032 0.000 2.202 110 I HA -0.225 3.945 4.170 0.001 0.000 0.242 110 I C 2.628 178.774 176.117 0.049 0.000 1.091 110 I CA 1.003 62.309 61.300 0.011 0.000 1.368 110 I CB -0.436 37.583 38.000 0.032 0.000 1.058 110 I HN 0.090 nan 8.210 nan 0.000 0.410 111 V N -1.423 118.537 119.914 0.076 0.000 2.548 111 V HA -0.146 3.975 4.120 0.001 0.000 0.249 111 V C 2.052 178.172 176.094 0.045 0.000 1.055 111 V CA 1.350 63.780 62.300 0.217 0.000 1.065 111 V CB -0.864 31.164 31.823 0.342 0.000 0.681 111 V HN 0.331 nan 8.190 nan 0.000 0.462 112 K N 0.962 121.182 120.400 -0.299 0.000 2.486 112 K HA 0.288 4.608 4.320 0.001 0.000 0.194 112 K C 2.015 178.538 176.600 -0.129 0.000 1.033 112 K CA 0.944 56.918 56.287 -0.523 0.000 1.004 112 K CB -0.087 32.069 32.500 -0.575 0.000 0.798 112 K HN 0.613 nan 8.250 nan 0.000 0.495 113 A N 0.820 123.608 122.820 -0.053 0.000 2.147 113 A HA 0.038 4.359 4.320 0.001 0.000 0.211 113 A C 1.081 178.663 177.584 -0.004 0.000 1.160 113 A CA 0.024 52.050 52.037 -0.018 0.000 0.781 113 A CB 0.207 19.199 19.000 -0.013 0.000 0.842 113 A HN 0.145 nan 8.150 nan 0.000 0.475 114 S N -0.533 115.176 115.700 0.014 0.000 2.585 114 S HA 0.413 4.884 4.470 0.001 0.000 0.273 114 S C 1.308 175.844 174.600 -0.107 0.000 1.339 114 S CA 0.054 58.214 58.200 -0.067 0.000 1.028 114 S CB 1.081 64.209 63.200 -0.120 0.000 0.906 114 S HN 0.749 nan 8.310 nan 0.000 0.528 115 A N 2.914 125.630 122.820 -0.174 0.000 2.172 115 A HA 0.024 4.345 4.320 0.001 0.000 0.216 115 A C 1.429 178.901 177.584 -0.187 0.000 1.154 115 A CA 1.134 53.086 52.037 -0.143 0.000 0.701 115 A CB -0.284 18.636 19.000 -0.134 0.000 0.789 115 A HN 0.875 nan 8.150 nan 0.000 0.465 116 D N -1.796 118.376 120.400 -0.380 0.000 2.366 116 D HA 0.100 4.741 4.640 0.001 0.000 0.205 116 D C 0.315 176.565 176.300 -0.083 0.000 1.022 116 D CA -0.230 53.544 54.000 -0.376 0.000 0.868 116 D CB -0.049 40.265 40.800 -0.810 0.000 0.953 116 D HN 0.389 nan 8.370 nan 0.000 0.514 117 F N 2.518 122.418 119.950 -0.083 0.000 2.650 117 F HA -0.075 4.452 4.527 0.000 0.000 0.355 117 F C 0.679 176.549 175.800 0.116 0.000 1.163 117 F CA 0.403 58.529 58.000 0.210 0.000 1.374 117 F CB 0.496 39.616 39.000 0.199 0.000 1.065 117 F HN -0.391 nan 8.300 nan 0.000 0.616 118 K N 5.577 125.556 120.400 -0.701 0.000 2.385 118 K HA 0.298 4.619 4.320 0.001 0.000 0.248 118 K C -2.128 174.157 176.600 -0.525 0.000 0.955 118 K CA -1.692 54.348 56.287 -0.412 0.000 0.816 118 K CB 1.410 33.744 32.500 -0.277 0.000 1.250 118 K HN 0.182 nan 8.250 nan 0.000 0.434 119 P HA -0.179 nan 4.420 nan 0.000 0.215 119 P C 0.698 177.976 177.300 -0.035 0.000 1.157 119 P CA 1.466 64.564 63.100 -0.005 0.000 0.868 119 P CB 0.193 31.907 31.700 0.024 0.000 0.788 120 N N -1.732 116.917 118.700 -0.085 0.000 2.461 120 N HA -0.027 4.714 4.740 0.001 0.000 0.188 120 N C -0.306 175.128 175.510 -0.127 0.000 1.134 120 N CA 0.551 53.567 53.050 -0.057 0.000 0.878 120 N CB -1.110 37.351 38.487 -0.042 0.000 0.972 120 N HN 0.004 nan 8.380 nan 0.000 0.456 121 T N 2.264 116.634 114.554 -0.308 0.000 2.793 121 T HA 0.106 4.457 4.350 0.001 0.000 0.289 121 T C 0.579 175.060 174.700 -0.366 0.000 0.956 121 T CA 0.080 61.906 62.100 -0.457 0.000 1.177 121 T CB 0.528 68.803 68.868 -0.989 0.000 0.897 121 T HN 0.209 nan 8.240 nan 0.000 0.533 122 R N 1.719 122.043 120.500 -0.294 0.000 2.700 122 R HA 0.623 4.964 4.340 0.001 0.000 0.253 122 R C -0.864 175.172 176.300 -0.440 0.000 1.091 122 R CA -0.751 55.247 56.100 -0.170 0.000 1.104 122 R CB 0.910 31.287 30.300 0.127 0.000 1.202 122 R HN 0.442 nan 8.270 nan 0.000 0.532 123 F N -0.160 119.881 119.950 0.153 0.000 2.445 123 F HA 0.205 4.732 4.527 0.001 0.000 0.348 123 F C 1.352 177.224 175.800 0.120 0.000 1.125 123 F CA -0.733 57.337 58.000 0.116 0.000 0.983 123 F CB 1.878 40.936 39.000 0.097 0.000 1.198 123 F HN 0.615 nan 8.300 nan 0.000 0.436 124 T N -1.801 112.873 114.554 0.200 0.000 2.942 124 T HA 0.050 4.401 4.350 0.001 0.000 0.265 124 T C 0.354 175.143 174.700 0.149 0.000 1.062 124 T CA 0.660 62.851 62.100 0.151 0.000 1.139 124 T CB 0.241 69.170 68.868 0.101 0.000 0.883 124 T HN 0.582 nan 8.240 nan 0.000 0.468 125 E N -0.282 120.016 120.200 0.164 0.000 2.397 125 E HA 0.464 4.814 4.350 0.001 0.000 0.293 125 E C -1.949 174.729 176.600 0.130 0.000 0.930 125 E CA -0.626 55.849 56.400 0.124 0.000 0.793 125 E CB 1.753 31.501 29.700 0.080 0.000 1.259 125 E HN 0.358 nan 8.360 nan 0.000 0.406 126 I N 3.278 123.903 120.570 0.091 0.000 2.464 126 I HA 0.332 4.503 4.170 0.001 0.000 0.277 126 I C -0.649 175.482 176.117 0.024 0.000 1.040 126 I CA -0.328 61.005 61.300 0.055 0.000 1.153 126 I CB 1.562 39.556 38.000 -0.010 0.000 1.274 126 I HN 0.264 nan 8.210 nan 0.000 0.469 127 S N 4.796 120.513 115.700 0.028 0.000 2.599 127 S HA 0.554 5.025 4.470 0.001 0.000 0.287 127 S C -0.610 173.993 174.600 0.004 0.000 1.105 127 S CA -0.648 57.559 58.200 0.012 0.000 0.899 127 S CB 2.437 65.648 63.200 0.020 0.000 1.100 127 S HN 0.439 nan 8.310 nan 0.000 0.482 128 L N 2.132 123.349 121.223 -0.010 0.000 2.506 128 L HA 0.340 4.681 4.340 0.001 0.000 0.281 128 L C -0.647 176.216 176.870 -0.011 0.000 1.228 128 L CA -0.035 54.796 54.840 -0.016 0.000 0.850 128 L CB 0.071 42.112 42.059 -0.030 0.000 1.110 128 L HN 0.574 nan 8.230 nan 0.000 0.496 129 L N 7.944 129.162 121.223 -0.008 0.000 2.257 129 L HA 0.542 4.882 4.340 0.001 0.000 0.290 129 L C -2.194 174.671 176.870 -0.010 0.000 1.044 129 L CA -2.060 52.779 54.840 -0.002 0.000 0.810 129 L CB 0.505 42.568 42.059 0.006 0.000 1.193 129 L HN 0.565 nan 8.230 nan 0.000 0.425 130 P HA 0.120 nan 4.420 nan 0.000 0.258 130 P C -2.486 174.821 177.300 0.013 0.000 1.187 130 P CA -0.647 62.453 63.100 -0.001 0.000 0.767 130 P CB -0.153 31.560 31.700 0.020 0.000 0.770 131 P HA 0.017 nan 4.420 nan 0.000 0.272 131 P C -0.096 177.219 177.300 0.024 0.000 1.254 131 P CA -0.059 63.039 63.100 -0.002 0.000 0.795 131 P CB 0.299 31.978 31.700 -0.036 0.000 1.022 132 D N 0.540 120.953 120.400 0.021 0.000 2.424 132 D HA -0.040 4.601 4.640 0.001 0.000 0.244 132 D C 0.881 177.173 176.300 -0.014 0.000 1.134 132 D CA -0.235 53.782 54.000 0.029 0.000 0.881 132 D CB 0.962 41.780 40.800 0.031 0.000 1.191 132 D HN 0.349 nan 8.370 nan 0.000 0.445 133 K N 2.276 122.627 120.400 -0.080 0.000 2.089 133 K HA -0.312 4.008 4.320 0.001 0.000 0.210 133 K C 1.778 178.222 176.600 -0.259 0.000 1.048 133 K CA 1.909 57.946 56.287 -0.417 0.000 0.926 133 K CB -0.033 32.010 32.500 -0.762 0.000 0.714 133 K HN 0.629 nan 8.250 nan 0.000 0.448 134 E N -0.613 119.535 120.200 -0.088 0.000 2.153 134 E HA -0.176 4.175 4.350 0.001 0.000 0.194 134 E C 1.661 178.307 176.600 0.077 0.000 0.988 134 E CA 0.951 57.368 56.400 0.028 0.000 0.811 134 E CB -0.073 29.642 29.700 0.024 0.000 0.746 134 E HN 0.489 nan 8.360 nan 0.000 0.466 135 A N 0.116 122.964 122.820 0.046 0.000 1.930 135 A HA -0.060 4.261 4.320 0.001 0.000 0.215 135 A C 2.310 179.951 177.584 0.096 0.000 1.176 135 A CA 0.910 52.986 52.037 0.066 0.000 0.632 135 A CB -0.304 18.717 19.000 0.036 0.000 0.819 135 A HN 0.198 nan 8.150 nan 0.000 0.445 136 V N -2.080 117.866 119.914 0.054 0.000 2.358 136 V HA -0.278 3.843 4.120 0.001 0.000 0.246 136 V C 2.213 178.424 176.094 0.195 0.000 1.047 136 V CA 1.634 63.956 62.300 0.038 0.000 1.035 136 V CB -1.004 30.827 31.823 0.013 0.000 0.658 136 V HN 0.787 nan 8.190 nan 0.000 0.452 137 W N -0.047 121.328 121.300 0.125 0.000 2.358 137 W HA -0.123 4.537 4.660 0.001 0.000 0.303 137 W C 2.595 179.177 176.519 0.105 0.000 1.208 137 W CA 0.825 58.246 57.345 0.127 0.000 1.274 137 W CB -0.199 29.283 29.460 0.037 0.000 1.138 137 W HN 0.207 nan 8.180 nan 0.000 0.515 138 A N -0.234 122.781 122.820 0.325 0.000 1.940 138 A HA -0.263 4.058 4.320 0.001 0.000 0.219 138 A C 1.644 179.337 177.584 0.182 0.000 1.176 138 A CA 1.639 53.792 52.037 0.193 0.000 0.631 138 A CB -1.152 17.928 19.000 0.133 0.000 0.814 138 A HN 0.417 nan 8.150 nan 0.000 0.446 139 F N 0.790 120.781 119.950 0.068 0.000 2.098 139 F HA 0.054 4.582 4.527 0.001 0.000 0.294 139 F C 2.508 178.338 175.800 0.051 0.000 1.107 139 F CA 1.233 59.238 58.000 0.009 0.000 1.234 139 F CB -0.558 38.382 39.000 -0.100 0.000 1.002 139 F HN 0.226 nan 8.300 nan 0.000 0.472 140 A N 0.496 123.577 122.820 0.435 0.000 1.933 140 A HA -0.088 4.233 4.320 0.001 0.000 0.218 140 A C 2.237 179.971 177.584 0.249 0.000 1.175 140 A CA 1.969 54.250 52.037 0.407 0.000 0.628 140 A CB -0.968 18.368 19.000 0.560 0.000 0.814 140 A HN 0.521 nan 8.150 nan 0.000 0.444 141 L N -1.954 119.412 121.223 0.239 0.000 2.200 141 L HA 0.056 4.397 4.340 0.001 0.000 0.200 141 L C 2.141 179.033 176.870 0.036 0.000 1.072 141 L CA 0.943 55.861 54.840 0.129 0.000 0.787 141 L CB -0.296 41.824 42.059 0.101 0.000 0.957 141 L HN 0.335 nan 8.230 nan 0.000 0.459 142 E N -0.497 119.715 120.200 0.020 0.000 2.472 142 E HA -0.006 4.345 4.350 0.001 0.000 0.196 142 E C 0.042 176.593 176.600 -0.082 0.000 1.033 142 E CA -0.136 56.252 56.400 -0.021 0.000 0.886 142 E CB 0.318 30.018 29.700 -0.000 0.000 0.944 142 E HN 0.272 nan 8.360 nan 0.000 0.492 143 N N 1.764 120.363 118.700 -0.169 0.000 2.776 143 N HA -0.192 4.548 4.740 0.001 0.000 0.250 143 N C -0.627 174.731 175.510 -0.255 0.000 1.112 143 N CA 0.725 53.559 53.050 -0.361 0.000 0.733 143 N CB -0.831 37.499 38.487 -0.262 0.000 1.097 143 N HN 0.184 nan 8.380 nan 0.000 0.558 144 K N 1.197 121.532 120.400 -0.108 0.000 2.297 144 K HA 0.336 4.657 4.320 0.001 0.000 0.286 144 K C -2.428 174.232 176.600 0.100 0.000 1.053 144 K CA -1.329 54.957 56.287 -0.003 0.000 0.940 144 K CB 0.804 33.325 32.500 0.036 0.000 1.019 144 K HN -0.064 nan 8.250 nan 0.000 0.475 145 P HA -0.060 nan 4.420 nan 0.000 0.268 145 P C -1.064 176.324 177.300 0.146 0.000 1.205 145 P CA -0.349 62.864 63.100 0.188 0.000 0.771 145 P CB 0.666 32.430 31.700 0.106 0.000 0.858 146 V N 3.614 123.604 119.914 0.127 0.000 2.372 146 V HA 0.048 4.168 4.120 0.001 0.000 0.261 146 V C 0.869 176.980 176.094 0.027 0.000 1.055 146 V CA 0.128 62.455 62.300 0.045 0.000 0.930 146 V CB 0.287 32.088 31.823 -0.037 0.000 1.031 146 V HN 0.619 nan 8.190 nan 0.000 0.479 147 D N 2.761 123.179 120.400 0.030 0.000 2.325 147 D HA -0.024 4.617 4.640 0.001 0.000 0.234 147 D C 0.552 176.860 176.300 0.014 0.000 1.122 147 D CA 0.015 54.029 54.000 0.023 0.000 0.850 147 D CB 0.210 41.025 40.800 0.025 0.000 0.921 147 D HN 0.604 nan 8.370 nan 0.000 0.513 148 Q N 0.822 120.625 119.800 0.007 0.000 2.241 148 Q HA 0.370 4.711 4.340 0.001 0.000 0.254 148 Q C -2.501 173.497 176.000 -0.004 0.000 0.917 148 Q CA -2.223 53.582 55.803 0.003 0.000 0.919 148 Q CB 1.396 30.135 28.738 0.002 0.000 1.237 148 Q HN -0.073 nan 8.270 nan 0.000 0.434 149 P HA 0.012 nan 4.420 nan 0.000 0.265 149 P C -1.088 176.207 177.300 -0.008 0.000 1.193 149 P CA -0.026 63.073 63.100 -0.002 0.000 0.765 149 P CB 0.472 32.175 31.700 0.005 0.000 0.823 150 R N 3.601 124.093 120.500 -0.013 0.000 2.446 150 R HA 0.128 4.469 4.340 0.001 0.000 0.314 150 R C 0.358 176.653 176.300 -0.009 0.000 1.003 150 R CA 0.551 56.640 56.100 -0.018 0.000 1.018 150 R CB -0.044 30.243 30.300 -0.021 0.000 0.945 150 R HN 0.508 nan 8.270 nan 0.000 0.419 151 K N 0.974 121.370 120.400 -0.007 0.000 2.295 151 K HA 0.736 5.057 4.320 0.001 0.000 0.239 151 K C -0.842 175.759 176.600 0.002 0.000 0.991 151 K CA -0.875 55.413 56.287 0.003 0.000 0.845 151 K CB 2.302 34.807 32.500 0.009 0.000 1.197 151 K HN 0.547 nan 8.250 nan 0.000 0.441 152 A N 1.396 124.222 122.820 0.011 0.000 2.455 152 A HA 0.351 4.671 4.320 0.001 0.000 0.300 152 A C -1.520 176.080 177.584 0.026 0.000 1.040 152 A CA -0.840 51.204 52.037 0.012 0.000 0.697 152 A CB 1.047 20.049 19.000 0.004 0.000 1.265 152 A HN 0.635 nan 8.150 nan 0.000 0.407 153 D N 1.447 121.865 120.400 0.029 0.000 2.277 153 D HA 0.423 5.064 4.640 0.001 0.000 0.249 153 D C -0.685 175.649 176.300 0.057 0.000 1.134 153 D CA 0.297 54.322 54.000 0.041 0.000 0.863 153 D CB 1.843 42.669 40.800 0.043 0.000 1.143 153 D HN 0.156 nan 8.370 nan 0.000 0.458 154 V N 4.708 124.662 119.914 0.066 0.000 2.349 154 V HA 0.298 4.418 4.120 0.001 0.000 0.284 154 V C 0.330 176.474 176.094 0.083 0.000 1.014 154 V CA -0.662 61.707 62.300 0.115 0.000 0.826 154 V CB 1.118 33.032 31.823 0.151 0.000 1.009 154 V HN 0.373 nan 8.190 nan 0.000 0.431 155 I N 6.018 126.654 120.570 0.110 0.000 2.297 155 I HA 0.433 4.604 4.170 0.001 0.000 0.291 155 I C 0.046 176.188 176.117 0.041 0.000 1.033 155 I CA 0.028 61.366 61.300 0.064 0.000 1.253 155 I CB 1.135 39.204 38.000 0.115 0.000 1.396 155 I HN 0.458 nan 8.210 nan 0.000 0.476 156 M N 6.381 125.925 119.600 -0.094 0.000 2.598 156 M HA 0.472 4.953 4.480 0.001 0.000 0.317 156 M C -0.933 175.257 176.300 -0.183 0.000 1.201 156 M CA -0.871 54.302 55.300 -0.212 0.000 0.971 156 M CB 2.360 34.762 32.600 -0.329 0.000 1.657 156 M HN 0.342 nan 8.290 nan 0.000 0.470 157 L N 2.253 123.357 121.223 -0.198 0.000 2.353 157 L HA 0.375 4.716 4.340 0.001 0.000 0.270 157 L C -1.176 175.601 176.870 -0.156 0.000 1.003 157 L CA -0.201 54.557 54.840 -0.138 0.000 0.862 157 L CB 0.825 42.833 42.059 -0.084 0.000 1.221 157 L HN 0.556 nan 8.230 nan 0.000 0.430 158 D N 4.341 124.667 120.400 -0.122 0.000 2.468 158 D HA 0.527 5.168 4.640 0.001 0.000 0.218 158 D C 1.097 177.363 176.300 -0.056 0.000 1.155 158 D CA 1.022 54.963 54.000 -0.098 0.000 0.924 158 D CB 0.453 41.229 40.800 -0.039 0.000 1.029 158 D HN 0.845 nan 8.370 nan 0.000 0.515 159 G N 4.905 113.652 108.800 -0.088 0.000 3.377 159 G HA2 -0.378 3.583 3.960 0.001 0.000 0.304 159 G HA3 -0.378 3.583 3.960 0.001 0.000 0.304 159 G C 0.820 175.630 174.900 -0.151 0.000 1.366 159 G CA 0.742 45.782 45.100 -0.100 0.000 1.020 159 G HN 0.668 nan 8.290 nan 0.000 0.621 160 K N 0.648 120.876 120.400 -0.287 0.000 2.438 160 K HA 0.331 4.652 4.320 0.001 0.000 0.206 160 K C 0.097 176.469 176.600 -0.380 0.000 1.081 160 K CA -0.198 55.909 56.287 -0.299 0.000 1.053 160 K CB 0.358 32.681 32.500 -0.293 0.000 0.908 160 K HN 0.590 nan 8.250 nan 0.000 0.556 161 H N 1.428 120.440 119.070 -0.096 0.000 2.473 161 H HA 0.272 4.828 4.556 0.001 0.000 0.327 161 H C -0.168 175.062 175.328 -0.163 0.000 1.105 161 H CA -0.737 55.232 56.048 -0.133 0.000 1.280 161 H CB 1.355 31.054 29.762 -0.104 0.000 1.450 161 H HN 0.032 nan 8.280 nan 0.000 0.492 162 I N 4.510 125.018 120.570 -0.102 0.000 2.396 162 I HA 0.215 4.386 4.170 0.001 0.000 0.292 162 I C 0.563 176.569 176.117 -0.185 0.000 0.999 162 I CA -0.224 60.961 61.300 -0.191 0.000 1.310 162 I CB 0.723 38.488 38.000 -0.391 0.000 1.404 162 I HN 0.433 nan 8.210 nan 0.000 0.496 163 I N 5.442 125.885 120.570 -0.213 0.000 2.534 163 I HA 0.291 4.462 4.170 0.001 0.000 0.288 163 I C -0.264 175.672 176.117 -0.302 0.000 1.077 163 I CA -0.618 60.493 61.300 -0.314 0.000 1.051 163 I CB 2.250 39.947 38.000 -0.505 0.000 1.234 163 I HN 0.453 nan 8.210 nan 0.000 0.425 164 E N 5.032 125.083 120.200 -0.247 0.000 2.113 164 E HA 0.672 5.023 4.350 0.001 0.000 0.273 164 E C -0.796 175.692 176.600 -0.186 0.000 0.924 164 E CA -0.545 55.772 56.400 -0.139 0.000 0.764 164 E CB 2.016 31.706 29.700 -0.016 0.000 1.104 164 E HN 0.668 nan 8.360 nan 0.000 0.406 165 A N 2.886 125.611 122.820 -0.157 0.000 2.374 165 A HA 0.634 4.954 4.320 0.001 0.000 0.317 165 A C -0.823 176.773 177.584 0.019 0.000 1.094 165 A CA -0.622 51.368 52.037 -0.078 0.000 0.765 165 A CB 1.420 20.355 19.000 -0.107 0.000 1.268 165 A HN 0.403 nan 8.150 nan 0.000 0.438 166 V N 2.658 122.607 119.914 0.058 0.000 2.409 166 V HA 0.535 4.655 4.120 0.001 0.000 0.291 166 V C -0.111 176.025 176.094 0.071 0.000 1.020 166 V CA -0.473 61.861 62.300 0.057 0.000 0.848 166 V CB 1.406 33.259 31.823 0.049 0.000 0.990 166 V HN 0.991 nan 8.190 nan 0.000 0.430 167 V N 0.956 120.906 119.914 0.059 0.000 2.667 167 V HA 0.649 4.770 4.120 0.001 0.000 0.308 167 V C -0.319 175.797 176.094 0.036 0.000 1.048 167 V CA -0.640 61.693 62.300 0.056 0.000 0.928 167 V CB 2.042 33.897 31.823 0.052 0.000 1.004 167 V HN 0.783 nan 8.190 nan 0.000 0.444 168 D N 3.207 123.627 120.400 0.033 0.000 2.456 168 D HA 0.340 4.980 4.640 0.001 0.000 0.219 168 D C 0.923 177.231 176.300 0.014 0.000 1.126 168 D CA -0.155 53.858 54.000 0.022 0.000 0.890 168 D CB 1.396 42.209 40.800 0.023 0.000 1.025 168 D HN 0.661 nan 8.370 nan 0.000 0.511 169 L N 2.703 123.930 121.223 0.007 0.000 2.093 169 L HA -0.147 4.194 4.340 0.001 0.000 0.208 169 L C 2.529 179.398 176.870 -0.000 0.000 1.085 169 L CA 0.783 55.623 54.840 -0.000 0.000 0.755 169 L CB -0.219 41.836 42.059 -0.007 0.000 0.904 169 L HN 0.475 nan 8.230 nan 0.000 0.435 170 Q N 0.439 120.239 119.800 0.001 0.000 2.084 170 Q HA -0.172 4.168 4.340 0.001 0.000 0.202 170 Q C 1.185 177.187 176.000 0.004 0.000 0.978 170 Q CA 1.484 57.288 55.803 0.001 0.000 0.844 170 Q CB 0.210 28.950 28.738 0.002 0.000 0.898 170 Q HN 0.511 nan 8.270 nan 0.000 0.426 171 N N 0.630 119.334 118.700 0.007 0.000 2.214 171 N HA -0.005 4.736 4.740 0.001 0.000 0.214 171 N C -0.600 174.916 175.510 0.008 0.000 1.132 171 N CA 0.158 53.213 53.050 0.008 0.000 0.856 171 N CB 0.268 38.762 38.487 0.010 0.000 1.020 171 N HN 0.258 nan 8.380 nan 0.000 0.509 172 N N 1.764 120.469 118.700 0.007 0.000 2.686 172 N HA -0.240 4.501 4.740 0.001 0.000 0.261 172 N C -1.099 174.419 175.510 0.013 0.000 1.001 172 N CA 0.842 53.896 53.050 0.007 0.000 0.764 172 N CB -0.883 37.605 38.487 0.002 0.000 0.898 172 N HN 0.510 nan 8.380 nan 0.000 0.544 173 K N -0.680 119.732 120.400 0.021 0.000 2.523 173 K HA 0.520 4.841 4.320 0.001 0.000 0.257 173 K C -0.994 175.634 176.600 0.046 0.000 0.932 173 K CA -1.241 55.064 56.287 0.030 0.000 0.812 173 K CB 1.203 33.718 32.500 0.025 0.000 1.326 173 K HN 0.021 nan 8.250 nan 0.000 0.433 174 L N 3.824 125.085 121.223 0.062 0.000 2.410 174 L HA 0.157 4.498 4.340 0.001 0.000 0.273 174 L C 0.084 177.006 176.870 0.087 0.000 1.144 174 L CA 0.116 55.014 54.840 0.096 0.000 0.863 174 L CB 0.275 42.413 42.059 0.132 0.000 1.140 174 L HN 0.894 nan 8.230 nan 0.000 0.463 175 L N 3.293 124.570 121.223 0.090 0.000 2.515 175 L HA 0.281 4.621 4.340 0.001 0.000 0.223 175 L C 0.318 177.244 176.870 0.093 0.000 1.079 175 L CA 0.425 55.310 54.840 0.076 0.000 0.857 175 L CB -0.139 41.955 42.059 0.057 0.000 1.050 175 L HN 0.831 nan 8.230 nan 0.000 0.476 176 S N -2.132 113.645 115.700 0.129 0.000 2.565 176 S HA 0.352 4.822 4.470 0.001 0.000 0.274 176 S C -2.007 172.736 174.600 0.238 0.000 1.144 176 S CA -0.753 57.539 58.200 0.154 0.000 0.849 176 S CB 1.768 65.027 63.200 0.099 0.000 1.103 176 S HN 0.207 nan 8.310 nan 0.000 0.455 177 W N 2.904 124.227 121.300 0.038 0.000 2.538 177 W HA 0.396 5.056 4.660 0.001 0.000 0.291 177 W C -1.821 174.715 176.519 0.027 0.000 1.020 177 W CA -0.314 57.056 57.345 0.041 0.000 1.375 177 W CB 1.052 30.537 29.460 0.043 0.000 1.247 177 W HN 0.908 nan 8.180 nan 0.000 0.377 178 Q N 5.461 125.261 119.800 -0.001 0.000 2.341 178 Q HA 0.351 4.691 4.340 0.001 0.000 0.268 178 Q C -2.306 173.652 176.000 -0.071 0.000 1.013 178 Q CA -1.823 53.993 55.803 0.022 0.000 0.798 178 Q CB 2.526 31.280 28.738 0.025 0.000 1.253 178 Q HN 0.059 nan 8.270 nan 0.000 0.457 179 P HA 0.117 nan 4.420 nan 0.000 0.275 179 P C -0.822 176.435 177.300 -0.070 0.000 1.227 179 P CA -0.151 62.914 63.100 -0.058 0.000 0.781 179 P CB 0.699 32.401 31.700 0.003 0.000 0.906 180 I N 3.252 123.751 120.570 -0.119 0.000 2.371 180 I HA 0.166 4.337 4.170 0.001 0.000 0.282 180 I C 0.892 176.918 176.117 -0.152 0.000 1.031 180 I CA -1.247 59.972 61.300 -0.135 0.000 1.180 180 I CB 0.456 38.325 38.000 -0.218 0.000 1.336 180 I HN 0.352 nan 8.210 nan 0.000 0.467 181 K N 5.366 125.706 120.400 -0.101 0.000 2.355 181 K HA 0.077 4.398 4.320 0.001 0.000 0.270 181 K C 0.067 176.596 176.600 -0.118 0.000 1.003 181 K CA 0.024 56.254 56.287 -0.095 0.000 0.957 181 K CB 1.084 33.545 32.500 -0.064 0.000 0.939 181 K HN 0.539 nan 8.250 nan 0.000 0.482 182 D N -1.544 118.774 120.400 -0.137 0.000 2.758 182 D HA -0.210 4.430 4.640 0.001 0.000 0.191 182 D C 0.009 176.139 176.300 -0.284 0.000 1.036 182 D CA 1.992 55.884 54.000 -0.181 0.000 1.030 182 D CB -1.199 39.544 40.800 -0.095 0.000 1.109 182 D HN 0.835 nan 8.370 nan 0.000 0.430 183 A N 0.953 123.592 122.820 -0.301 0.000 2.401 183 A HA 0.404 4.724 4.320 0.001 0.000 0.259 183 A C 0.182 177.506 177.584 -0.432 0.000 1.103 183 A CA 0.061 51.873 52.037 -0.376 0.000 0.789 183 A CB 0.537 19.151 19.000 -0.643 0.000 1.035 183 A HN 0.188 nan 8.150 nan 0.000 0.491 184 H N 0.727 119.697 119.070 -0.168 0.000 2.479 184 H HA 0.499 5.055 4.556 0.001 0.000 0.335 184 H C 0.789 176.056 175.328 -0.102 0.000 1.142 184 H CA 0.391 56.363 56.048 -0.127 0.000 1.234 184 H CB 1.801 31.515 29.762 -0.078 0.000 1.503 184 H HN 0.864 nan 8.280 nan 0.000 0.510 185 G N 1.458 110.284 108.800 0.044 0.000 2.504 185 G HA2 0.387 4.348 3.960 0.001 0.000 0.288 185 G HA3 0.387 4.348 3.960 0.001 0.000 0.288 185 G C 0.616 175.533 174.900 0.028 0.000 1.182 185 G CA -0.713 44.407 45.100 0.034 0.000 0.894 185 G HN 0.643 nan 8.290 nan 0.000 0.521 186 M N 0.038 119.650 119.600 0.020 0.000 2.043 186 M HA 0.443 4.924 4.480 0.001 0.000 0.272 186 M C -0.213 176.024 176.300 -0.104 0.000 1.279 186 M CA -0.373 54.894 55.300 -0.056 0.000 1.109 186 M CB 0.250 32.822 32.600 -0.047 0.000 1.377 186 M HN 0.115 nan 8.290 nan 0.000 0.469 187 V N 1.985 121.768 119.914 -0.219 0.000 2.583 187 V HA 0.320 4.441 4.120 0.001 0.000 0.287 187 V C 0.285 176.352 176.094 -0.045 0.000 1.051 187 V CA -0.375 61.806 62.300 -0.198 0.000 1.010 187 V CB 0.712 32.275 31.823 -0.435 0.000 0.988 187 V HN 0.631 nan 8.190 nan 0.000 0.478 188 L N 3.747 124.966 121.223 -0.008 0.000 2.322 188 L HA 0.389 4.729 4.340 0.001 0.000 0.269 188 L C 1.029 177.855 176.870 -0.073 0.000 1.012 188 L CA -0.796 54.008 54.840 -0.061 0.000 0.815 188 L CB 1.535 43.501 42.059 -0.154 0.000 1.295 188 L HN 0.493 nan 8.230 nan 0.000 0.438 189 L N 1.807 122.847 121.223 -0.306 0.000 2.034 189 L HA -0.276 4.065 4.340 0.001 0.000 0.217 189 L C 2.208 178.926 176.870 -0.253 0.000 1.077 189 L CA 2.344 56.955 54.840 -0.382 0.000 0.769 189 L CB -0.615 41.232 42.059 -0.352 0.000 0.890 189 L HN 0.909 nan 8.230 nan 0.000 0.435 190 D N -2.155 117.946 120.400 -0.498 0.000 2.309 190 D HA -0.214 4.426 4.640 0.001 0.000 0.212 190 D C 1.373 177.656 176.300 -0.029 0.000 0.968 190 D CA 1.131 55.011 54.000 -0.200 0.000 0.882 190 D CB -0.590 40.099 40.800 -0.185 0.000 0.918 190 D HN 0.442 nan 8.370 nan 0.000 0.503 191 D N 0.037 120.450 120.400 0.021 0.000 2.178 191 D HA -0.097 4.544 4.640 0.001 0.000 0.202 191 D C 1.799 178.153 176.300 0.090 0.000 0.974 191 D CA 0.511 54.533 54.000 0.037 0.000 0.841 191 D CB -0.383 40.415 40.800 -0.004 0.000 0.953 191 D HN 0.238 nan 8.370 nan 0.000 0.478 192 F N 1.798 121.709 119.950 -0.065 0.000 2.102 192 F HA -0.114 4.413 4.527 0.001 0.000 0.298 192 F C 2.600 178.371 175.800 -0.048 0.000 1.105 192 F CA 0.873 58.854 58.000 -0.032 0.000 1.239 192 F CB -1.009 37.990 39.000 -0.002 0.000 0.991 192 F HN -0.083 nan 8.300 nan 0.000 0.474 193 A N -1.192 121.729 122.820 0.168 0.000 1.933 193 A HA -0.180 4.141 4.320 0.001 0.000 0.218 193 A C 2.404 179.999 177.584 0.017 0.000 1.175 193 A CA 1.873 53.951 52.037 0.068 0.000 0.628 193 A CB -1.181 17.850 19.000 0.053 0.000 0.814 193 A HN 0.339 nan 8.150 nan 0.000 0.444 194 S N -0.603 115.103 115.700 0.009 0.000 2.356 194 S HA -0.133 4.337 4.470 0.001 0.000 0.223 194 S C 1.936 176.500 174.600 -0.061 0.000 1.032 194 S CA 1.650 59.834 58.200 -0.025 0.000 1.005 194 S CB -0.499 62.684 63.200 -0.030 0.000 0.867 194 S HN 0.304 nan 8.310 nan 0.000 0.449 195 V N 1.761 121.628 119.914 -0.077 0.000 2.287 195 V HA -0.178 3.943 4.120 0.001 0.000 0.248 195 V C 2.728 178.731 176.094 -0.152 0.000 1.053 195 V CA 2.335 64.558 62.300 -0.129 0.000 1.027 195 V CB -0.929 30.801 31.823 -0.156 0.000 0.646 195 V HN 0.518 nan 8.190 nan 0.000 0.447 196 Q N 0.726 120.457 119.800 -0.115 0.000 2.124 196 Q HA -0.208 4.132 4.340 0.001 0.000 0.202 196 Q C 1.920 177.846 176.000 -0.122 0.000 0.977 196 Q CA 2.367 58.094 55.803 -0.128 0.000 0.850 196 Q CB -0.578 28.113 28.738 -0.079 0.000 0.901 196 Q HN 0.715 nan 8.270 nan 0.000 0.429 197 N N -0.600 118.049 118.700 -0.086 0.000 2.106 197 N HA -0.062 4.679 4.740 0.001 0.000 0.188 197 N C 1.524 176.979 175.510 -0.091 0.000 1.029 197 N CA 1.573 54.581 53.050 -0.070 0.000 0.848 197 N CB -0.153 38.308 38.487 -0.043 0.000 1.007 197 N HN 0.360 nan 8.380 nan 0.000 0.423 198 I N -0.205 120.301 120.570 -0.107 0.000 2.286 198 I HA -0.231 3.940 4.170 0.001 0.000 0.248 198 I C 1.529 177.545 176.117 -0.168 0.000 1.115 198 I CA 0.716 61.946 61.300 -0.117 0.000 1.392 198 I CB -0.190 37.739 38.000 -0.119 0.000 1.065 198 I HN 0.182 nan 8.210 nan 0.000 0.418 199 I N 0.849 121.261 120.570 -0.263 0.000 2.353 199 I HA -0.240 3.931 4.170 0.001 0.000 0.248 199 I C 2.013 177.977 176.117 -0.255 0.000 1.119 199 I CA 1.607 62.642 61.300 -0.441 0.000 1.417 199 I CB -0.758 36.797 38.000 -0.741 0.000 1.078 199 I HN 0.211 nan 8.210 nan 0.000 0.421 200 N N 0.116 118.720 118.700 -0.159 0.000 2.309 200 N HA -0.132 4.609 4.740 0.001 0.000 0.182 200 N C 1.174 176.661 175.510 -0.039 0.000 1.018 200 N CA 0.953 53.958 53.050 -0.075 0.000 0.876 200 N CB -0.219 38.231 38.487 -0.061 0.000 0.972 200 N HN 0.485 nan 8.380 nan 0.000 0.434 201 N N -0.284 118.386 118.700 -0.049 0.000 2.353 201 N HA 0.018 4.759 4.740 0.001 0.000 0.185 201 N C -0.281 175.222 175.510 -0.012 0.000 1.098 201 N CA -0.206 52.829 53.050 -0.026 0.000 0.872 201 N CB 0.469 38.938 38.487 -0.030 0.000 0.970 201 N HN -0.071 nan 8.380 nan 0.000 0.467 202 S N 1.627 117.321 115.700 -0.011 0.000 2.430 202 S HA -0.002 4.469 4.470 0.001 0.000 0.282 202 S C 1.381 176.026 174.600 0.074 0.000 1.186 202 S CA -0.659 57.560 58.200 0.031 0.000 1.060 202 S CB 0.435 63.663 63.200 0.046 0.000 0.966 202 S HN 0.233 nan 8.310 nan 0.000 0.501 203 E N 5.275 125.504 120.200 0.047 0.000 2.077 203 E HA -0.214 4.137 4.350 0.001 0.000 0.193 203 E C 1.169 177.799 176.600 0.050 0.000 0.989 203 E CA 1.432 57.856 56.400 0.041 0.000 0.800 203 E CB -0.538 29.175 29.700 0.021 0.000 0.746 203 E HN 0.875 nan 8.360 nan 0.000 0.452 204 E N -0.115 120.118 120.200 0.056 0.000 2.072 204 E HA -0.103 4.247 4.350 0.001 0.000 0.191 204 E C 1.924 178.557 176.600 0.055 0.000 0.985 204 E CA 1.020 57.446 56.400 0.042 0.000 0.801 204 E CB -0.346 29.376 29.700 0.038 0.000 0.750 204 E HN 0.233 nan 8.360 nan 0.000 0.452 205 F N 1.439 121.369 119.950 -0.032 0.000 2.186 205 F HA -0.119 4.409 4.527 0.001 0.000 0.299 205 F C 2.222 178.002 175.800 -0.033 0.000 1.090 205 F CA 1.241 59.219 58.000 -0.037 0.000 1.307 205 F CB -0.178 38.795 39.000 -0.044 0.000 1.019 205 F HN -0.063 nan 8.300 nan 0.000 0.489 206 A N 0.130 123.062 122.820 0.188 0.000 1.972 206 A HA -0.072 4.249 4.320 0.001 0.000 0.219 206 A C 2.363 179.941 177.584 -0.010 0.000 1.169 206 A CA 1.679 53.775 52.037 0.098 0.000 0.635 206 A CB -1.415 17.634 19.000 0.081 0.000 0.810 206 A HN 0.464 nan 8.150 nan 0.000 0.446 207 A N -0.208 122.596 122.820 -0.026 0.000 1.897 207 A HA 0.252 4.573 4.320 0.001 0.000 0.215 207 A C 2.507 180.028 177.584 -0.105 0.000 1.181 207 A CA 1.803 53.810 52.037 -0.050 0.000 0.620 207 A CB -1.004 17.976 19.000 -0.034 0.000 0.821 207 A HN 0.998 nan 8.150 nan 0.000 0.443 208 A N -0.491 122.223 122.820 -0.177 0.000 1.877 208 A HA -0.037 4.284 4.320 0.001 0.000 0.216 208 A C 2.219 179.636 177.584 -0.278 0.000 1.186 208 A CA 1.850 53.736 52.037 -0.252 0.000 0.620 208 A CB -0.995 17.774 19.000 -0.385 0.000 0.822 208 A HN 0.389 nan 8.150 nan 0.000 0.443 209 V N 0.171 119.876 119.914 -0.349 0.000 2.407 209 V HA -0.262 3.858 4.120 0.001 0.000 0.248 209 V C 2.546 178.570 176.094 -0.116 0.000 1.055 209 V CA 2.390 64.544 62.300 -0.244 0.000 1.049 209 V CB -0.596 31.125 31.823 -0.169 0.000 0.662 209 V HN 0.695 nan 8.190 nan 0.000 0.455 210 K N 1.028 121.376 120.400 -0.087 0.000 2.057 210 K HA -0.207 4.114 4.320 0.001 0.000 0.206 210 K C 2.098 178.669 176.600 -0.048 0.000 1.050 210 K CA 1.608 57.866 56.287 -0.049 0.000 0.935 210 K CB -0.129 32.350 32.500 -0.035 0.000 0.715 210 K HN 0.620 nan 8.250 nan 0.000 0.439 211 K N 0.010 120.373 120.400 -0.062 0.000 2.515 211 K HA -0.093 4.228 4.320 0.001 0.000 0.196 211 K C 0.813 177.384 176.600 -0.048 0.000 1.038 211 K CA 0.856 57.113 56.287 -0.051 0.000 0.967 211 K CB 0.061 32.528 32.500 -0.056 0.000 0.780 211 K HN 0.054 nan 8.250 nan 0.000 0.483 212 R N 0.397 120.863 120.500 -0.057 0.000 2.694 212 R HA 0.129 4.469 4.340 0.001 0.000 0.334 212 R C 0.264 176.551 176.300 -0.023 0.000 1.143 212 R CA 0.251 56.325 56.100 -0.044 0.000 1.073 212 R CB 0.719 30.980 30.300 -0.065 0.000 1.366 212 R HN 0.506 nan 8.270 nan 0.000 0.577 213 G N 1.070 109.859 108.800 -0.017 0.000 2.179 213 G HA2 -0.277 3.683 3.960 0.001 0.000 0.260 213 G HA3 -0.277 3.683 3.960 0.001 0.000 0.260 213 G C 0.038 174.937 174.900 -0.002 0.000 0.977 213 G CA -0.136 44.961 45.100 -0.005 0.000 0.641 213 G HN 0.209 nan 8.290 nan 0.000 0.533 214 I N 2.180 122.745 120.570 -0.009 0.000 2.312 214 I HA 0.387 4.558 4.170 0.001 0.000 0.291 214 I C 1.802 177.917 176.117 -0.003 0.000 1.031 214 I CA 0.536 61.835 61.300 -0.001 0.000 1.293 214 I CB 1.397 39.398 38.000 0.001 0.000 1.403 214 I HN 0.285 nan 8.210 nan 0.000 0.484 215 T N 0.962 115.516 114.554 0.001 0.000 2.706 215 T HA -0.040 4.311 4.350 0.001 0.000 0.255 215 T C 0.825 175.527 174.700 0.004 0.000 1.048 215 T CA 0.463 62.564 62.100 0.001 0.000 1.153 215 T CB -0.116 68.753 68.868 0.001 0.000 0.865 215 T HN 0.504 nan 8.240 nan 0.000 0.414 216 D N 1.702 122.105 120.400 0.006 0.000 2.411 216 D HA 0.450 5.090 4.640 0.001 0.000 0.225 216 D C 1.066 177.375 176.300 0.015 0.000 1.156 216 D CA -0.061 53.944 54.000 0.008 0.000 0.874 216 D CB 1.206 42.008 40.800 0.004 0.000 1.034 216 D HN 0.411 nan 8.370 nan 0.000 0.502 217 A N 4.298 127.131 122.820 0.022 0.000 2.216 217 A HA -0.133 4.188 4.320 0.001 0.000 0.214 217 A C 1.852 179.456 177.584 0.033 0.000 1.160 217 A CA 0.851 52.913 52.037 0.042 0.000 0.725 217 A CB 0.018 19.054 19.000 0.059 0.000 0.784 217 A HN 0.400 nan 8.150 nan 0.000 0.472 218 K N 0.413 120.822 120.400 0.015 0.000 2.288 218 K HA -0.002 4.318 4.320 0.001 0.000 0.201 218 K C 1.178 177.775 176.600 -0.004 0.000 1.048 218 K CA 0.979 57.267 56.287 0.003 0.000 0.956 218 K CB -0.016 32.484 32.500 -0.000 0.000 0.746 218 K HN 0.457 nan 8.250 nan 0.000 0.461 219 K N 0.656 121.057 120.400 0.002 0.000 2.504 219 K HA 0.120 4.440 4.320 0.001 0.000 0.199 219 K C -0.584 176.015 176.600 -0.001 0.000 1.028 219 K CA -0.025 56.260 56.287 -0.003 0.000 1.164 219 K CB 0.447 32.948 32.500 0.001 0.000 0.877 219 K HN -0.126 nan 8.250 nan 0.000 0.508 220 V N 2.314 122.229 119.914 0.001 0.000 2.407 220 V HA 0.199 4.319 4.120 0.001 0.000 0.278 220 V C -0.123 175.932 176.094 -0.066 0.000 1.037 220 V CA -0.782 61.523 62.300 0.007 0.000 0.900 220 V CB 0.924 32.795 31.823 0.079 0.000 0.983 220 V HN 0.070 nan 8.190 nan 0.000 0.459 221 I N 4.978 125.475 120.570 -0.122 0.000 2.336 221 I HA 0.434 4.604 4.170 0.001 0.000 0.292 221 I C 0.800 176.793 176.117 -0.205 0.000 0.991 221 I CA 0.261 61.394 61.300 -0.279 0.000 1.227 221 I CB 1.864 39.448 38.000 -0.695 0.000 1.366 221 I HN 0.803 nan 8.210 nan 0.000 0.466 222 T N 1.370 115.806 114.554 -0.196 0.000 2.912 222 T HA 0.863 5.213 4.350 0.001 0.000 0.280 222 T C -0.060 174.568 174.700 -0.120 0.000 0.989 222 T CA -0.621 61.390 62.100 -0.148 0.000 0.995 222 T CB 1.554 70.310 68.868 -0.186 0.000 1.077 222 T HN 0.657 nan 8.240 nan 0.000 0.531 223 T N -1.121 113.389 114.554 -0.073 0.000 3.032 223 T HA 0.565 4.916 4.350 0.001 0.000 0.312 223 T C -3.386 171.252 174.700 -0.102 0.000 1.078 223 T CA -1.726 60.351 62.100 -0.038 0.000 1.028 223 T CB 1.518 70.461 68.868 0.124 0.000 1.091 223 T HN 0.418 nan 8.240 nan 0.000 0.457 224 P HA 0.474 nan 4.420 nan 0.000 0.280 224 P C -0.834 176.427 177.300 -0.065 0.000 1.386 224 P CA -0.441 62.497 63.100 -0.271 0.000 0.899 224 P CB 0.260 31.563 31.700 -0.662 0.000 1.098 225 L N 2.631 123.884 121.223 0.050 0.000 2.334 225 L HA 0.526 4.867 4.340 0.001 0.000 0.276 225 L C 0.925 177.930 176.870 0.224 0.000 1.014 225 L CA -0.863 54.131 54.840 0.256 0.000 0.815 225 L CB 1.786 44.096 42.059 0.418 0.000 1.268 225 L HN 0.241 nan 8.230 nan 0.000 0.428 226 T N -1.502 113.248 114.554 0.326 0.000 2.898 226 T HA 0.184 4.535 4.350 0.001 0.000 0.301 226 T C 1.032 175.870 174.700 0.231 0.000 1.049 226 T CA -0.512 61.702 62.100 0.191 0.000 1.095 226 T CB 1.487 70.476 68.868 0.201 0.000 0.976 226 T HN 0.495 nan 8.240 nan 0.000 0.539 227 V N -0.659 119.315 119.914 0.099 0.000 3.471 227 V HA 0.531 4.652 4.120 0.001 0.000 0.258 227 V C 1.419 177.637 176.094 0.206 0.000 1.192 227 V CA 0.726 63.089 62.300 0.104 0.000 1.116 227 V CB -1.612 30.180 31.823 -0.051 0.000 0.792 227 V HN 1.644 nan 8.190 nan 0.000 0.459 228 G N 0.295 109.167 108.800 0.119 0.000 2.525 228 G HA2 -0.257 3.703 3.960 0.001 0.000 0.248 228 G HA3 -0.257 3.703 3.960 0.001 0.000 0.248 228 G C -0.681 174.239 174.900 0.034 0.000 1.238 228 G CA 0.401 45.531 45.100 0.050 0.000 0.926 228 G HN 1.398 nan 8.290 nan 0.000 0.574 229 Y N -0.662 119.424 120.300 -0.357 0.000 2.441 229 Y HA 0.669 5.220 4.550 0.001 0.000 0.334 229 Y C -0.696 174.715 175.900 -0.814 0.000 1.061 229 Y CA -1.563 56.300 58.100 -0.395 0.000 1.032 229 Y CB 1.341 39.635 38.460 -0.276 0.000 1.266 229 Y HN 0.543 nan 8.280 nan 0.000 0.441 230 F N 4.004 123.339 119.950 -1.025 0.000 2.810 230 F HA 0.220 4.748 4.527 0.001 0.000 0.353 230 F C 0.676 175.693 175.800 -1.305 0.000 1.227 230 F CA -0.572 56.830 58.000 -0.997 0.000 1.210 230 F CB 0.328 39.124 39.000 -0.339 0.000 1.039 230 F HN 0.655 nan 8.300 nan 0.000 0.509 231 D N 0.779 119.913 120.400 -2.109 0.000 2.955 231 D HA -0.231 4.409 4.640 0.001 0.000 0.226 231 D C 1.502 177.514 176.300 -0.479 0.000 1.178 231 D CA 1.785 55.062 54.000 -1.205 0.000 0.808 231 D CB -0.796 39.591 40.800 -0.688 0.000 1.099 231 D HN 0.756 nan 8.370 nan 0.000 0.421 232 G N -1.083 107.467 108.800 -0.417 0.000 2.213 232 G HA2 -0.380 3.581 3.960 0.001 0.000 0.236 232 G HA3 -0.380 3.581 3.960 0.001 0.000 0.236 232 G C 1.061 175.894 174.900 -0.111 0.000 0.991 232 G CA 0.531 45.531 45.100 -0.168 0.000 0.629 232 G HN 0.509 nan 8.290 nan 0.000 0.517 233 K N 0.677 121.007 120.400 -0.117 0.000 2.360 233 K HA -0.062 4.258 4.320 0.001 0.000 0.201 233 K C 1.758 178.280 176.600 -0.130 0.000 1.046 233 K CA 1.497 57.726 56.287 -0.097 0.000 0.940 233 K CB -0.121 32.331 32.500 -0.079 0.000 0.748 233 K HN 0.657 nan 8.250 nan 0.000 0.465 234 D N -0.703 119.647 120.400 -0.084 0.000 2.340 234 D HA 0.016 4.657 4.640 0.001 0.000 0.220 234 D C 0.950 177.230 176.300 -0.033 0.000 1.039 234 D CA 0.503 54.475 54.000 -0.047 0.000 0.866 234 D CB -0.100 40.746 40.800 0.077 0.000 0.913 234 D HN 0.154 nan 8.370 nan 0.000 0.523 235 G N 0.469 109.241 108.800 -0.046 0.000 2.249 235 G HA2 -0.266 3.695 3.960 0.001 0.000 0.273 235 G HA3 -0.266 3.695 3.960 0.001 0.000 0.273 235 G C -0.195 174.688 174.900 -0.028 0.000 1.036 235 G CA 0.328 45.405 45.100 -0.038 0.000 0.824 235 G HN 0.428 nan 8.290 nan 0.000 0.504 236 L N -0.205 121.005 121.223 -0.021 0.000 2.313 236 L HA 0.407 4.747 4.340 0.001 0.000 0.283 236 L C 0.897 177.770 176.870 0.005 0.000 1.013 236 L CA -1.027 53.804 54.840 -0.014 0.000 0.816 236 L CB 1.752 43.803 42.059 -0.014 0.000 1.236 236 L HN 0.188 nan 8.230 nan 0.000 0.419 237 K N 2.486 122.888 120.400 0.005 0.000 2.430 237 K HA -0.110 4.210 4.320 0.001 0.000 0.280 237 K C 0.928 177.559 176.600 0.052 0.000 1.063 237 K CA 0.034 56.335 56.287 0.023 0.000 1.071 237 K CB 0.829 33.336 32.500 0.012 0.000 0.899 237 K HN 0.536 nan 8.250 nan 0.000 0.473 238 Q N 3.555 123.409 119.800 0.089 0.000 2.135 238 Q HA -0.260 4.080 4.340 0.001 0.000 0.204 238 Q C 1.337 177.442 176.000 0.175 0.000 0.981 238 Q CA 2.328 58.217 55.803 0.144 0.000 0.856 238 Q CB -0.143 28.691 28.738 0.159 0.000 0.902 238 Q HN 0.851 nan 8.270 nan 0.000 0.425 239 D N -0.345 120.121 120.400 0.110 0.000 2.149 239 D HA -0.115 4.526 4.640 0.001 0.000 0.198 239 D C -0.024 176.357 176.300 0.135 0.000 0.990 239 D CA 0.975 55.031 54.000 0.094 0.000 0.839 239 D CB -0.180 40.646 40.800 0.044 0.000 0.948 239 D HN 0.342 nan 8.370 nan 0.000 0.460 240 A N 0.582 123.454 122.820 0.087 0.000 2.386 240 A HA 0.223 4.544 4.320 0.001 0.000 0.248 240 A C 0.502 178.102 177.584 0.027 0.000 1.082 240 A CA -0.276 51.787 52.037 0.042 0.000 0.789 240 A CB 0.281 19.277 19.000 -0.007 0.000 1.025 240 A HN 0.272 nan 8.150 nan 0.000 0.490 241 R N 2.054 122.542 120.500 -0.019 0.000 2.235 241 R HA 0.489 4.830 4.340 0.001 0.000 0.338 241 R C -1.171 175.052 176.300 -0.128 0.000 1.087 241 R CA -0.030 56.014 56.100 -0.093 0.000 0.948 241 R CB -0.323 29.942 30.300 -0.058 0.000 1.099 241 R HN 0.687 nan 8.270 nan 0.000 0.483 242 L N 4.620 125.737 121.223 -0.176 0.000 2.303 242 L HA 0.679 5.020 4.340 0.001 0.000 0.266 242 L C -0.582 176.197 176.870 -0.152 0.000 1.011 242 L CA -1.285 53.467 54.840 -0.146 0.000 0.818 242 L CB 1.927 43.908 42.059 -0.131 0.000 1.326 242 L HN 0.466 nan 8.230 nan 0.000 0.435 243 L N 0.796 121.934 121.223 -0.142 0.000 2.505 243 L HA 0.453 4.794 4.340 0.001 0.000 0.259 243 L C -0.948 175.825 176.870 -0.161 0.000 0.952 243 L CA -0.713 54.046 54.840 -0.135 0.000 0.840 243 L CB 2.836 44.813 42.059 -0.135 0.000 1.358 243 L HN 0.533 nan 8.230 nan 0.000 0.409 244 K N 1.336 121.627 120.400 -0.181 0.000 2.098 244 K HA 0.720 5.040 4.320 0.001 0.000 0.258 244 K C -1.175 175.341 176.600 -0.140 0.000 0.973 244 K CA -0.725 55.408 56.287 -0.257 0.000 0.898 244 K CB 2.441 34.578 32.500 -0.606 0.000 1.057 244 K HN 0.206 nan 8.250 nan 0.000 0.447 245 V N 3.922 123.758 119.914 -0.130 0.000 2.487 245 V HA 0.360 4.480 4.120 0.001 0.000 0.298 245 V C -0.503 175.559 176.094 -0.054 0.000 1.028 245 V CA -0.939 61.306 62.300 -0.092 0.000 0.860 245 V CB 1.470 33.208 31.823 -0.141 0.000 0.991 245 V HN 0.586 nan 8.190 nan 0.000 0.427 246 I N 3.338 123.874 120.570 -0.056 0.000 2.404 246 I HA 0.551 4.722 4.170 0.001 0.000 0.293 246 I C 0.318 176.309 176.117 -0.210 0.000 0.992 246 I CA 0.068 61.288 61.300 -0.134 0.000 1.149 246 I CB 1.911 39.817 38.000 -0.157 0.000 1.315 246 I HN 0.591 nan 8.210 nan 0.000 0.446 247 S N 5.566 121.098 115.700 -0.281 0.000 2.621 247 S HA 0.797 5.267 4.470 0.001 0.000 0.302 247 S C -1.067 173.215 174.600 -0.529 0.000 1.093 247 S CA -0.462 57.586 58.200 -0.252 0.000 1.017 247 S CB 1.898 65.120 63.200 0.037 0.000 1.077 247 S HN 0.376 nan 8.310 nan 0.000 0.517 248 Y N 0.087 120.380 120.300 -0.011 0.000 2.609 248 Y HA 0.642 5.192 4.550 0.001 0.000 0.342 248 Y C -0.738 175.190 175.900 0.048 0.000 1.058 248 Y CA -1.136 56.999 58.100 0.059 0.000 1.055 248 Y CB 1.036 39.553 38.460 0.094 0.000 1.292 248 Y HN 0.471 nan 8.280 nan 0.000 0.476 249 L N 2.210 123.611 121.223 0.296 0.000 2.307 249 L HA 0.441 4.782 4.340 0.001 0.000 0.284 249 L C -0.646 176.317 176.870 0.156 0.000 1.023 249 L CA -0.423 54.516 54.840 0.166 0.000 0.810 249 L CB 0.986 43.120 42.059 0.125 0.000 1.231 249 L HN 0.582 nan 8.230 nan 0.000 0.423 250 D N 3.823 124.266 120.400 0.072 0.000 2.336 250 D HA 0.093 4.734 4.640 0.001 0.000 0.249 250 D C 0.431 176.718 176.300 -0.022 0.000 1.213 250 D CA 0.102 54.138 54.000 0.060 0.000 0.870 250 D CB 1.372 42.188 40.800 0.027 0.000 1.076 250 D HN 0.440 nan 8.370 nan 0.000 0.483 251 V N 3.023 122.876 119.914 -0.100 0.000 3.621 251 V HA 0.192 4.313 4.120 0.001 0.000 0.285 251 V C 1.720 177.766 176.094 -0.080 0.000 1.346 251 V CA 0.551 62.745 62.300 -0.175 0.000 1.104 251 V CB 0.065 31.609 31.823 -0.464 0.000 0.913 251 V HN 0.884 nan 8.190 nan 0.000 0.432 252 G N 2.103 110.886 108.800 -0.028 0.000 2.141 252 G HA2 -0.237 3.724 3.960 0.001 0.000 0.242 252 G HA3 -0.237 3.724 3.960 0.001 0.000 0.242 252 G C 0.331 175.220 174.900 -0.018 0.000 0.982 252 G CA 0.406 45.497 45.100 -0.015 0.000 0.662 252 G HN 0.687 nan 8.290 nan 0.000 0.527 253 D N -0.273 120.125 120.400 -0.003 0.000 2.340 253 D HA 0.389 5.030 4.640 0.001 0.000 0.217 253 D C 1.774 178.014 176.300 -0.100 0.000 1.081 253 D CA 0.358 54.343 54.000 -0.024 0.000 0.842 253 D CB -0.513 40.315 40.800 0.046 0.000 0.934 253 D HN 1.497 nan 8.370 nan 0.000 0.511 254 G N 0.874 109.632 108.800 -0.070 0.000 2.168 254 G HA2 -0.349 3.611 3.960 0.001 0.000 0.263 254 G HA3 -0.349 3.611 3.960 0.001 0.000 0.263 254 G C 0.180 174.974 174.900 -0.177 0.000 0.977 254 G CA 0.335 45.354 45.100 -0.134 0.000 0.659 254 G HN 0.635 nan 8.290 nan 0.000 0.533 255 N N -0.366 118.299 118.700 -0.058 0.000 2.725 255 N HA 0.400 5.140 4.740 0.001 0.000 0.248 255 N C 0.882 176.440 175.510 0.082 0.000 1.402 255 N CA -0.454 52.609 53.050 0.021 0.000 0.766 255 N CB -0.029 38.483 38.487 0.041 0.000 1.223 255 N HN 0.336 nan 8.380 nan 0.000 0.515 256 Y N -0.281 120.054 120.300 0.058 0.000 2.421 256 Y HA 0.106 4.657 4.550 0.001 0.000 0.292 256 Y C 1.030 176.841 175.900 -0.148 0.000 1.136 256 Y CA 0.351 58.471 58.100 0.032 0.000 1.255 256 Y CB -0.667 37.702 38.460 -0.151 0.000 0.991 256 Y HN 0.324 nan 8.280 nan 0.000 0.552 257 W N 1.250 122.306 121.300 -0.407 0.000 2.387 257 W HA -0.011 4.650 4.660 0.001 0.000 0.272 257 W C 2.178 178.728 176.519 0.052 0.000 1.224 257 W CA 1.329 58.437 57.345 -0.397 0.000 1.210 257 W CB -0.251 29.003 29.460 -0.342 0.000 1.125 257 W HN 0.191 nan 8.180 nan 0.000 0.572 258 A N -0.674 122.235 122.820 0.148 0.000 2.302 258 A HA 0.065 4.385 4.320 0.001 0.000 0.219 258 A C 0.107 177.437 177.584 -0.424 0.000 1.243 258 A CA 0.372 52.444 52.037 0.057 0.000 0.856 258 A CB -0.643 18.275 19.000 -0.138 0.000 0.893 258 A HN 0.332 nan 8.150 nan 0.000 0.491 259 H N 0.226 119.554 119.070 0.430 0.000 2.597 259 H HA 0.205 4.762 4.556 0.001 0.000 0.225 259 H C -3.057 172.513 175.328 0.404 0.000 1.422 259 H CA -1.817 54.443 56.048 0.352 0.000 1.335 259 H CB 0.010 29.931 29.762 0.265 0.000 1.783 259 H HN 0.323 nan 8.280 nan 0.000 0.513 260 P HA 0.110 nan 4.420 nan 0.000 0.271 260 P C 0.333 177.689 177.300 0.093 0.000 1.216 260 P CA -0.048 63.196 63.100 0.241 0.000 0.776 260 P CB 1.618 33.484 31.700 0.277 0.000 0.881 261 I N 1.820 122.353 120.570 -0.061 0.000 2.377 261 I HA 0.213 4.384 4.170 0.001 0.000 0.282 261 I C 0.897 176.984 176.117 -0.049 0.000 1.091 261 I CA -0.646 60.634 61.300 -0.032 0.000 1.207 261 I CB 0.359 38.326 38.000 -0.055 0.000 1.429 261 I HN 0.274 nan 8.210 nan 0.000 0.491 262 E N 4.534 124.745 120.200 0.019 0.000 2.398 262 E HA 0.090 4.441 4.350 0.001 0.000 0.263 262 E C 0.282 176.905 176.600 0.038 0.000 1.046 262 E CA 0.557 56.992 56.400 0.058 0.000 0.908 262 E CB 0.296 30.070 29.700 0.123 0.000 0.963 262 E HN 0.520 nan 8.360 nan 0.000 0.431 263 N N 0.441 119.178 118.700 0.062 0.000 2.776 263 N HA -0.249 4.492 4.740 0.001 0.000 0.250 263 N C -1.252 174.257 175.510 -0.003 0.000 1.112 263 N CA 0.176 53.255 53.050 0.048 0.000 0.733 263 N CB -0.877 37.639 38.487 0.049 0.000 1.097 263 N HN 0.173 nan 8.380 nan 0.000 0.558 264 L N 0.693 121.897 121.223 -0.031 0.000 2.406 264 L HA 0.671 5.011 4.340 0.001 0.000 0.272 264 L C -1.213 175.638 176.870 -0.031 0.000 0.980 264 L CA -0.824 53.977 54.840 -0.065 0.000 0.831 264 L CB 2.095 44.075 42.059 -0.132 0.000 1.253 264 L HN -0.141 nan 8.230 nan 0.000 0.406 265 V N 4.392 124.298 119.914 -0.014 0.000 2.612 265 V HA 0.875 4.996 4.120 0.001 0.000 0.301 265 V C -0.117 175.983 176.094 0.009 0.000 1.059 265 V CA -0.369 61.922 62.300 -0.015 0.000 0.886 265 V CB 1.544 33.324 31.823 -0.072 0.000 1.007 265 V HN 0.959 nan 8.190 nan 0.000 0.426 266 A N 4.231 127.081 122.820 0.050 0.000 2.324 266 A HA 0.897 5.218 4.320 0.001 0.000 0.330 266 A C -0.715 176.823 177.584 -0.077 0.000 1.165 266 A CA -0.602 51.461 52.037 0.044 0.000 0.813 266 A CB 1.625 20.697 19.000 0.119 0.000 1.197 266 A HN 0.719 nan 8.150 nan 0.000 0.484 267 V N 2.920 122.784 119.914 -0.084 0.000 2.370 267 V HA 0.391 4.512 4.120 0.001 0.000 0.283 267 V C -0.327 175.706 176.094 -0.102 0.000 1.023 267 V CA -0.390 61.836 62.300 -0.123 0.000 0.857 267 V CB 1.260 33.011 31.823 -0.121 0.000 0.985 267 V HN 0.629 nan 8.190 nan 0.000 0.443 268 V N 3.907 123.750 119.914 -0.118 0.000 2.435 268 V HA 0.402 4.523 4.120 0.001 0.000 0.290 268 V C -0.146 175.888 176.094 -0.100 0.000 1.030 268 V CA -0.603 61.632 62.300 -0.107 0.000 0.881 268 V CB 1.970 33.719 31.823 -0.124 0.000 0.983 268 V HN 0.854 nan 8.190 nan 0.000 0.445 269 D N 3.967 124.318 120.400 -0.082 0.000 2.359 269 D HA 0.294 4.934 4.640 0.001 0.000 0.230 269 D C 0.953 177.209 176.300 -0.073 0.000 1.118 269 D CA -0.203 53.752 54.000 -0.075 0.000 0.844 269 D CB 1.562 42.327 40.800 -0.058 0.000 1.059 269 D HN 0.418 nan 8.370 nan 0.000 0.493 270 L N 3.076 124.251 121.223 -0.080 0.000 2.017 270 L HA -0.159 4.181 4.340 0.001 0.000 0.208 270 L C 2.212 179.045 176.870 -0.062 0.000 1.073 270 L CA 1.106 55.902 54.840 -0.074 0.000 0.745 270 L CB -0.192 41.819 42.059 -0.081 0.000 0.894 270 L HN 0.469 nan 8.230 nan 0.000 0.432 271 E N -0.389 119.773 120.200 -0.063 0.000 2.150 271 E HA -0.269 4.082 4.350 0.001 0.000 0.193 271 E C 2.090 178.664 176.600 -0.043 0.000 0.985 271 E CA 0.904 57.271 56.400 -0.056 0.000 0.814 271 E CB -0.017 29.644 29.700 -0.066 0.000 0.752 271 E HN 0.485 nan 8.360 nan 0.000 0.466 272 Q N 1.029 120.803 119.800 -0.043 0.000 2.451 272 Q HA -0.049 4.292 4.340 0.001 0.000 0.206 272 Q C -0.290 175.688 176.000 -0.037 0.000 0.947 272 Q CA 0.156 55.938 55.803 -0.035 0.000 0.937 272 Q CB 0.155 28.872 28.738 -0.034 0.000 1.025 272 Q HN -0.016 nan 8.270 nan 0.000 0.511 273 K N 1.098 121.471 120.400 -0.044 0.000 3.490 273 K HA -0.232 4.089 4.320 0.001 0.000 0.273 273 K C -0.721 175.851 176.600 -0.047 0.000 0.916 273 K CA 0.887 57.147 56.287 -0.046 0.000 0.718 273 K CB -1.089 31.389 32.500 -0.036 0.000 1.477 273 K HN 0.200 nan 8.250 nan 0.000 0.452 274 K N 0.567 120.936 120.400 -0.052 0.000 2.568 274 K HA 0.364 4.685 4.320 0.001 0.000 0.273 274 K C -0.936 175.631 176.600 -0.055 0.000 0.951 274 K CA -0.859 55.399 56.287 -0.049 0.000 0.854 274 K CB 1.379 33.858 32.500 -0.035 0.000 1.424 274 K HN 0.110 nan 8.250 nan 0.000 0.427 275 I N 4.485 125.025 120.570 -0.050 0.000 2.421 275 I HA 0.020 4.190 4.170 0.001 0.000 0.291 275 I C 1.317 177.416 176.117 -0.031 0.000 1.089 275 I CA -0.292 60.981 61.300 -0.045 0.000 1.354 275 I CB 1.108 39.096 38.000 -0.021 0.000 1.413 275 I HN 0.493 nan 8.210 nan 0.000 0.513 276 V N 2.749 122.639 119.914 -0.040 0.000 3.649 276 V HA 0.281 4.402 4.120 0.001 0.000 0.275 276 V C 0.487 176.563 176.094 -0.030 0.000 1.281 276 V CA 0.348 62.627 62.300 -0.034 0.000 1.143 276 V CB -0.689 31.110 31.823 -0.040 0.000 0.892 276 V HN 0.819 nan 8.190 nan 0.000 0.441 277 K N 0.212 120.595 120.400 -0.029 0.000 2.622 277 K HA 0.568 4.888 4.320 0.001 0.000 0.273 277 K C -2.161 174.431 176.600 -0.014 0.000 0.957 277 K CA -0.706 55.565 56.287 -0.026 0.000 0.861 277 K CB 2.269 34.744 32.500 -0.042 0.000 1.405 277 K HN 0.194 nan 8.250 nan 0.000 0.406 278 I N 3.570 124.136 120.570 -0.006 0.000 2.476 278 I HA 0.220 4.391 4.170 0.001 0.000 0.281 278 I C -0.685 175.421 176.117 -0.018 0.000 1.040 278 I CA -0.638 60.665 61.300 0.005 0.000 1.094 278 I CB 1.927 39.938 38.000 0.019 0.000 1.219 278 I HN 0.497 nan 8.210 nan 0.000 0.450 279 E N 6.332 126.518 120.200 -0.023 0.000 2.227 279 E HA 0.407 4.757 4.350 0.001 0.000 0.282 279 E C -0.824 175.764 176.600 -0.020 0.000 1.015 279 E CA -0.506 55.884 56.400 -0.017 0.000 0.823 279 E CB 1.686 31.383 29.700 -0.004 0.000 1.081 279 E HN 0.502 nan 8.360 nan 0.000 0.396 280 E N 1.174 121.362 120.200 -0.020 0.000 2.256 280 E HA 0.571 4.921 4.350 0.001 0.000 0.267 280 E C -0.335 176.261 176.600 -0.006 0.000 0.892 280 E CA -0.810 55.574 56.400 -0.027 0.000 0.775 280 E CB 2.184 31.856 29.700 -0.047 0.000 1.207 280 E HN 0.555 nan 8.360 nan 0.000 0.420 281 G N 1.517 110.317 108.800 0.001 0.000 3.176 281 G HA2 0.523 4.484 3.960 0.001 0.000 0.272 281 G HA3 0.523 4.484 3.960 0.001 0.000 0.272 281 G C -2.712 172.194 174.900 0.010 0.000 1.349 281 G CA -1.417 43.694 45.100 0.018 0.000 0.953 281 G HN 0.247 nan 8.290 nan 0.000 0.559 282 P HA 0.213 nan 4.420 nan 0.000 0.265 282 P C -0.139 177.168 177.300 0.012 0.000 1.193 282 P CA -0.274 62.834 63.100 0.015 0.000 0.765 282 P CB 0.876 32.589 31.700 0.023 0.000 0.823 283 V N 4.801 124.716 119.914 0.003 0.000 2.521 283 V HA 0.069 4.190 4.120 0.001 0.000 0.286 283 V C 0.407 176.508 176.094 0.013 0.000 1.034 283 V CA 0.255 62.555 62.300 0.000 0.000 1.045 283 V CB 0.797 32.615 31.823 -0.009 0.000 0.974 283 V HN 0.228 nan 8.190 nan 0.000 0.480 284 V N 7.342 127.268 119.914 0.021 0.000 2.444 284 V HA 0.354 4.475 4.120 0.001 0.000 0.294 284 V C -2.259 173.859 176.094 0.039 0.000 1.022 284 V CA -1.962 60.358 62.300 0.034 0.000 0.850 284 V CB 1.765 33.618 31.823 0.049 0.000 0.992 284 V HN 0.761 nan 8.190 nan 0.000 0.426 285 P HA 0.048 nan 4.420 nan 0.000 0.262 285 P C -0.301 177.041 177.300 0.072 0.000 1.182 285 P CA 0.096 63.224 63.100 0.047 0.000 0.761 285 P CB 0.348 32.073 31.700 0.043 0.000 0.795 286 V N 7.125 127.087 119.914 0.080 0.000 2.529 286 V HA 0.068 4.189 4.120 0.001 0.000 0.292 286 V C -1.814 174.376 176.094 0.161 0.000 1.028 286 V CA -1.130 61.244 62.300 0.122 0.000 1.074 286 V CB 0.152 32.047 31.823 0.119 0.000 0.958 286 V HN 0.563 nan 8.190 nan 0.000 0.481 287 P HA 0.150 nan 4.420 nan 0.000 0.265 287 P C 0.483 178.008 177.300 0.376 0.000 1.222 287 P CA 0.136 63.387 63.100 0.252 0.000 0.767 287 P CB 0.442 32.287 31.700 0.242 0.000 0.801 288 M N 0.223 119.983 119.600 0.267 0.000 2.545 288 M HA 0.049 4.530 4.480 0.001 0.000 0.264 288 M C 0.549 176.972 176.300 0.204 0.000 1.155 288 M CA 0.722 56.137 55.300 0.191 0.000 1.162 288 M CB -1.020 31.635 32.600 0.093 0.000 1.330 288 M HN 0.145 nan 8.290 nan 0.000 0.479 289 T N 2.797 117.497 114.554 0.244 0.000 2.891 289 T HA 0.191 4.541 4.350 0.001 0.000 0.296 289 T C 0.422 175.304 174.700 0.304 0.000 1.025 289 T CA -0.086 62.149 62.100 0.225 0.000 1.149 289 T CB 0.261 69.261 68.868 0.221 0.000 1.007 289 T HN 0.361 nan 8.240 nan 0.000 0.528 290 A N 4.559 127.494 122.820 0.192 0.000 2.520 290 A HA 0.338 4.659 4.320 0.001 0.000 0.245 290 A C 0.816 178.498 177.584 0.163 0.000 1.072 290 A CA -0.165 51.980 52.037 0.181 0.000 0.761 290 A CB 0.187 19.234 19.000 0.079 0.000 1.004 290 A HN 0.690 nan 8.150 nan 0.000 0.499 291 R N 2.931 123.525 120.500 0.157 0.000 2.674 291 R HA 0.247 4.587 4.340 0.001 0.000 0.270 291 R C -3.000 173.263 176.300 -0.061 0.000 1.492 291 R CA -1.514 54.607 56.100 0.034 0.000 1.624 291 R CB 0.857 31.176 30.300 0.032 0.000 1.307 291 R HN 0.606 nan 8.270 nan 0.000 0.683 292 P HA 0.036 nan 4.420 nan 0.000 0.271 292 P C 0.139 177.326 177.300 -0.187 0.000 1.218 292 P CA -0.050 62.921 63.100 -0.216 0.000 0.780 292 P CB 0.399 31.993 31.700 -0.177 0.000 0.901 293 F N 0.270 120.146 119.950 -0.124 0.000 2.682 293 F HA 0.235 4.763 4.527 0.001 0.000 0.308 293 F C 0.933 176.676 175.800 -0.095 0.000 1.093 293 F CA -0.451 57.464 58.000 -0.142 0.000 1.244 293 F CB -0.818 38.065 39.000 -0.194 0.000 1.052 293 F HN 0.098 nan 8.300 nan 0.000 0.573 294 D N -0.064 120.210 120.400 -0.210 0.000 2.328 294 D HA 0.210 4.851 4.640 0.001 0.000 0.226 294 D C 1.881 178.159 176.300 -0.037 0.000 1.066 294 D CA 0.484 54.445 54.000 -0.065 0.000 0.861 294 D CB -0.119 40.579 40.800 -0.171 0.000 0.912 294 D HN 0.465 nan 8.370 nan 0.000 0.521 295 G N 1.843 110.621 108.800 -0.038 0.000 2.179 295 G HA2 -0.458 3.502 3.960 0.001 0.000 0.260 295 G HA3 -0.458 3.502 3.960 0.001 0.000 0.260 295 G C 1.269 176.149 174.900 -0.033 0.000 0.977 295 G CA 0.541 45.627 45.100 -0.024 0.000 0.641 295 G HN 0.585 nan 8.290 nan 0.000 0.533 296 R N 0.642 121.109 120.500 -0.054 0.000 2.133 296 R HA -0.130 4.211 4.340 0.001 0.000 0.247 296 R C 1.592 177.874 176.300 -0.031 0.000 1.151 296 R CA 2.135 58.207 56.100 -0.045 0.000 0.971 296 R CB -0.623 29.640 30.300 -0.062 0.000 0.866 296 R HN 0.469 nan 8.270 nan 0.000 0.447 297 D N -0.071 120.311 120.400 -0.030 0.000 2.342 297 D HA 0.057 4.698 4.640 0.001 0.000 0.221 297 D C -0.044 176.251 176.300 -0.009 0.000 1.101 297 D CA -0.168 53.822 54.000 -0.016 0.000 0.837 297 D CB 0.163 40.955 40.800 -0.014 0.000 0.938 297 D HN 0.061 nan 8.370 nan 0.000 0.508 298 R N 0.050 120.544 120.500 -0.010 0.000 2.828 298 R HA 0.562 4.903 4.340 0.001 0.000 0.264 298 R C -0.470 175.829 176.300 -0.002 0.000 1.022 298 R CA -1.038 55.060 56.100 -0.004 0.000 1.021 298 R CB 1.774 32.072 30.300 -0.004 0.000 1.163 298 R HN -0.118 nan 8.270 nan 0.000 0.494 299 V N 1.322 121.237 119.914 0.002 0.000 2.509 299 V HA 0.341 4.461 4.120 0.001 0.000 0.284 299 V C 0.358 176.454 176.094 0.003 0.000 1.047 299 V CA -0.833 61.469 62.300 0.003 0.000 0.952 299 V CB 1.416 33.242 31.823 0.005 0.000 0.988 299 V HN 0.837 nan 8.190 nan 0.000 0.469 300 A N 7.538 130.360 122.820 0.003 0.000 2.350 300 A HA 0.600 4.921 4.320 0.001 0.000 0.293 300 A C -1.418 176.169 177.584 0.005 0.000 1.231 300 A CA -1.054 50.985 52.037 0.004 0.000 0.883 300 A CB -0.364 18.638 19.000 0.004 0.000 1.133 300 A HN 0.747 nan 8.150 nan 0.000 0.533 301 P HA 0.387 nan 4.420 nan 0.000 0.275 301 P C -0.217 177.086 177.300 0.006 0.000 1.227 301 P CA -0.085 63.018 63.100 0.006 0.000 0.781 301 P CB 1.222 32.925 31.700 0.006 0.000 0.906 302 A N 2.983 125.807 122.820 0.006 0.000 2.409 302 A HA 0.500 4.820 4.320 0.001 0.000 0.262 302 A C -0.083 177.504 177.584 0.006 0.000 1.113 302 A CA -0.299 51.742 52.037 0.006 0.000 0.790 302 A CB 0.229 19.232 19.000 0.006 0.000 1.046 302 A HN 0.412 nan 8.150 nan 0.000 0.496 303 V N 3.061 122.978 119.914 0.006 0.000 2.841 303 V HA 0.308 4.429 4.120 0.001 0.000 0.310 303 V C -0.106 175.991 176.094 0.006 0.000 1.090 303 V CA -0.995 61.309 62.300 0.005 0.000 0.930 303 V CB 2.155 33.981 31.823 0.005 0.000 1.014 303 V HN 0.960 nan 8.190 nan 0.000 0.425 304 K N 4.058 124.460 120.400 0.004 0.000 2.270 304 K HA 0.405 4.725 4.320 0.001 0.000 0.276 304 K C -2.177 174.426 176.600 0.006 0.000 1.023 304 K CA -1.182 55.107 56.287 0.004 0.000 0.955 304 K CB 0.625 33.125 32.500 0.000 0.000 0.975 304 K HN 0.533 nan 8.250 nan 0.000 0.471 305 P HA 0.014 nan 4.420 nan 0.000 0.269 305 P C -1.009 176.297 177.300 0.011 0.000 1.209 305 P CA -0.001 63.106 63.100 0.013 0.000 0.776 305 P CB 0.719 32.431 31.700 0.019 0.000 0.876 306 M N 2.224 121.832 119.600 0.013 0.000 2.224 306 M HA 0.243 4.724 4.480 0.001 0.000 0.281 306 M C -1.544 174.767 176.300 0.018 0.000 1.025 306 M CA -0.318 54.989 55.300 0.011 0.000 0.954 306 M CB 2.016 34.619 32.600 0.004 0.000 1.639 306 M HN 0.323 nan 8.290 nan 0.000 0.461 307 Q N 4.874 124.690 119.800 0.027 0.000 2.353 307 Q HA 0.626 4.967 4.340 0.001 0.000 0.268 307 Q C -1.249 174.774 176.000 0.039 0.000 1.045 307 Q CA -0.733 55.096 55.803 0.043 0.000 0.811 307 Q CB 3.239 32.020 28.738 0.073 0.000 1.305 307 Q HN 0.728 nan 8.270 nan 0.000 0.447 308 I N 4.358 124.953 120.570 0.042 0.000 2.330 308 I HA 0.421 4.592 4.170 0.001 0.000 0.289 308 I C -0.188 175.966 176.117 0.062 0.000 1.001 308 I CA -0.652 60.672 61.300 0.040 0.000 1.193 308 I CB 0.583 38.605 38.000 0.038 0.000 1.345 308 I HN 0.516 nan 8.210 nan 0.000 0.461 309 I N 2.452 123.046 120.570 0.040 0.000 2.740 309 I HA 0.607 4.778 4.170 0.001 0.000 0.303 309 I C -0.788 175.291 176.117 -0.064 0.000 1.044 309 I CA -0.622 60.690 61.300 0.020 0.000 1.064 309 I CB 2.319 40.326 38.000 0.011 0.000 1.249 309 I HN 0.497 nan 8.210 nan 0.000 0.433 310 E N 5.001 125.141 120.200 -0.101 0.000 3.108 310 E HA 0.240 4.591 4.350 0.001 0.000 0.228 310 E C -2.093 174.357 176.600 -0.249 0.000 1.176 310 E CA -1.506 54.824 56.400 -0.118 0.000 0.881 310 E CB 1.268 30.958 29.700 -0.016 0.000 1.354 310 E HN 0.556 nan 8.360 nan 0.000 0.400 311 P HA -0.181 nan 4.420 nan 0.000 0.221 311 P C 0.352 177.525 177.300 -0.210 0.000 1.145 311 P CA 1.166 63.821 63.100 -0.742 0.000 0.795 311 P CB 0.414 31.667 31.700 -0.745 0.000 0.775 312 E N -0.530 119.595 120.200 -0.125 0.000 2.501 312 E HA 0.368 4.719 4.350 0.001 0.000 0.200 312 E C 0.798 177.383 176.600 -0.026 0.000 1.016 312 E CA -0.073 56.300 56.400 -0.045 0.000 0.921 312 E CB 0.382 30.055 29.700 -0.045 0.000 1.034 312 E HN 0.217 nan 8.360 nan 0.000 0.468 313 G N 1.333 110.120 108.800 -0.023 0.000 2.566 313 G HA2 -0.163 3.798 3.960 0.001 0.000 0.599 313 G HA3 -0.163 3.798 3.960 0.001 0.000 0.599 313 G C -0.864 173.982 174.900 -0.090 0.000 1.292 313 G CA -0.990 44.092 45.100 -0.031 0.000 0.922 313 G HN -0.059 nan 8.290 nan 0.000 0.514 314 K N -0.153 120.129 120.400 -0.196 0.000 2.132 314 K HA 0.424 4.745 4.320 0.001 0.000 0.241 314 K C 1.145 177.577 176.600 -0.280 0.000 1.000 314 K CA -0.633 55.427 56.287 -0.377 0.000 0.911 314 K CB 0.720 32.612 32.500 -1.013 0.000 1.093 314 K HN 0.559 nan 8.250 nan 0.000 0.460 315 N N -0.461 118.133 118.700 -0.176 0.000 2.373 315 N HA -0.008 4.732 4.740 0.001 0.000 0.181 315 N C -0.477 175.130 175.510 0.161 0.000 1.082 315 N CA 0.126 53.206 53.050 0.050 0.000 0.885 315 N CB 0.084 38.700 38.487 0.214 0.000 0.977 315 N HN 0.455 nan 8.380 nan 0.000 0.462 316 Y N -1.190 119.256 120.300 0.244 0.000 2.496 316 Y HA 0.715 5.266 4.550 0.001 0.000 0.331 316 Y C -0.217 175.704 175.900 0.034 0.000 1.140 316 Y CA -1.064 57.146 58.100 0.184 0.000 1.166 316 Y CB 0.713 39.248 38.460 0.125 0.000 1.249 316 Y HN -0.342 nan 8.280 nan 0.000 0.479 317 T N 3.223 117.894 114.554 0.195 0.000 2.893 317 T HA 0.556 4.907 4.350 0.001 0.000 0.293 317 T C -0.787 173.910 174.700 -0.004 0.000 1.027 317 T CA -0.604 61.524 62.100 0.048 0.000 0.988 317 T CB 1.026 69.933 68.868 0.066 0.000 1.043 317 T HN 0.601 nan 8.240 nan 0.000 0.461 318 I N 2.939 123.423 120.570 -0.144 0.000 2.405 318 I HA 0.271 4.441 4.170 0.001 0.000 0.280 318 I C -0.034 176.068 176.117 -0.025 0.000 1.027 318 I CA -0.577 60.622 61.300 -0.169 0.000 1.161 318 I CB 1.236 38.998 38.000 -0.396 0.000 1.300 318 I HN 0.523 nan 8.210 nan 0.000 0.463 319 T N 5.253 119.804 114.554 -0.005 0.000 2.832 319 T HA 0.508 4.858 4.350 0.001 0.000 0.313 319 T C 0.854 175.581 174.700 0.045 0.000 1.035 319 T CA 0.238 62.366 62.100 0.046 0.000 0.950 319 T CB 1.214 70.107 68.868 0.042 0.000 0.984 319 T HN 1.021 nan 8.240 nan 0.000 0.486 320 G N 4.123 112.970 108.800 0.078 0.000 2.565 320 G HA2 -0.275 3.686 3.960 0.001 0.000 0.295 320 G HA3 -0.275 3.686 3.960 0.001 0.000 0.295 320 G C 0.356 175.248 174.900 -0.015 0.000 1.165 320 G CA 0.325 45.456 45.100 0.051 0.000 0.977 320 G HN 0.620 nan 8.290 nan 0.000 0.546 321 D N 1.204 121.530 120.400 -0.123 0.000 2.398 321 D HA 0.228 4.869 4.640 0.001 0.000 0.210 321 D C 1.034 177.050 176.300 -0.473 0.000 1.094 321 D CA 0.144 53.941 54.000 -0.338 0.000 0.839 321 D CB 0.183 40.638 40.800 -0.574 0.000 0.963 321 D HN 0.308 nan 8.370 nan 0.000 0.506 322 M N 1.204 120.640 119.600 -0.274 0.000 2.188 322 M HA 0.353 4.834 4.480 0.001 0.000 0.357 322 M C -0.073 176.047 176.300 -0.300 0.000 1.204 322 M CA -0.208 54.928 55.300 -0.273 0.000 1.095 322 M CB 2.125 34.689 32.600 -0.060 0.000 1.604 322 M HN -0.296 nan 8.290 nan 0.000 0.464 323 I N 2.070 122.310 120.570 -0.551 0.000 2.377 323 I HA 0.268 4.438 4.170 0.001 0.000 0.293 323 I C -0.600 175.316 176.117 -0.336 0.000 0.987 323 I CA -0.664 60.296 61.300 -0.566 0.000 1.185 323 I CB 1.480 38.844 38.000 -1.059 0.000 1.341 323 I HN 0.623 nan 8.210 nan 0.000 0.455 324 H N 5.462 124.453 119.070 -0.132 0.000 2.547 324 H HA 0.472 5.028 4.556 0.001 0.000 0.342 324 H C -1.961 173.500 175.328 0.222 0.000 1.048 324 H CA -0.612 55.458 56.048 0.035 0.000 1.204 324 H CB 1.339 31.117 29.762 0.027 0.000 1.493 324 H HN 0.577 nan 8.280 nan 0.000 0.511 325 W N 8.453 129.464 121.300 -0.482 0.000 3.089 325 W HA 0.382 5.042 4.660 0.001 0.000 0.333 325 W C -0.534 175.839 176.519 -0.244 0.000 1.053 325 W CA -0.580 56.624 57.345 -0.234 0.000 1.257 325 W CB 0.605 30.075 29.460 0.016 0.000 1.281 325 W HN 0.985 nan 8.180 nan 0.000 0.427 326 R N 2.564 122.576 120.500 -0.812 0.000 3.869 326 R HA -0.397 3.944 4.340 0.001 0.000 0.424 326 R C 0.707 176.681 176.300 -0.543 0.000 0.241 326 R CA 2.202 57.866 56.100 -0.726 0.000 1.351 326 R CB -1.150 28.521 30.300 -1.047 0.000 0.979 326 R HN 0.744 nan 8.270 nan 0.000 0.572 327 N N -0.339 117.989 118.700 -0.620 0.000 2.398 327 N HA 0.036 4.776 4.740 0.001 0.000 0.188 327 N C -0.184 174.919 175.510 -0.679 0.000 1.122 327 N CA 0.010 52.606 53.050 -0.758 0.000 0.866 327 N CB 0.086 37.747 38.487 -1.377 0.000 0.970 327 N HN 0.180 nan 8.380 nan 0.000 0.462 328 W N 1.227 122.386 121.300 -0.235 0.000 2.375 328 W HA 0.364 5.025 4.660 0.001 0.000 0.336 328 W C -0.140 176.442 176.519 0.105 0.000 1.160 328 W CA -0.515 56.856 57.345 0.043 0.000 1.266 328 W CB 0.917 30.517 29.460 0.234 0.000 1.195 328 W HN -0.186 nan 8.180 nan 0.000 0.599 329 D N 2.158 122.886 120.400 0.547 0.000 2.891 329 D HA 0.329 4.969 4.640 0.001 0.000 0.224 329 D C -1.173 175.407 176.300 0.467 0.000 1.321 329 D CA -0.288 53.946 54.000 0.391 0.000 0.929 329 D CB 1.889 42.896 40.800 0.345 0.000 1.551 329 D HN 0.233 nan 8.370 nan 0.000 0.574 330 F N -0.786 119.207 119.950 0.073 0.000 2.741 330 F HA 0.461 4.989 4.527 0.001 0.000 0.313 330 F C -1.428 174.338 175.800 -0.057 0.000 1.153 330 F CA -0.985 57.020 58.000 0.009 0.000 0.931 330 F CB 1.654 40.597 39.000 -0.095 0.000 1.335 330 F HN 0.155 nan 8.300 nan 0.000 0.460 331 H N 2.018 121.057 119.070 -0.052 0.000 2.466 331 H HA 0.685 5.241 4.556 0.001 0.000 0.338 331 H C -2.031 173.203 175.328 -0.157 0.000 1.091 331 H CA -0.763 55.115 56.048 -0.283 0.000 1.207 331 H CB 2.119 31.544 29.762 -0.562 0.000 1.466 331 H HN 0.828 nan 8.280 nan 0.000 0.493 332 L N 4.975 125.892 121.223 -0.509 0.000 2.343 332 L HA 0.369 4.710 4.340 0.001 0.000 0.278 332 L C -0.834 175.809 176.870 -0.378 0.000 0.996 332 L CA -0.177 54.487 54.840 -0.295 0.000 0.831 332 L CB 1.271 43.214 42.059 -0.193 0.000 1.232 332 L HN 0.710 nan 8.230 nan 0.000 0.413 333 S N 4.054 119.619 115.700 -0.225 0.000 2.704 333 S HA 0.871 5.342 4.470 0.001 0.000 0.296 333 S C -0.706 173.777 174.600 -0.195 0.000 1.138 333 S CA -0.911 57.189 58.200 -0.167 0.000 0.875 333 S CB 1.707 64.893 63.200 -0.024 0.000 1.151 333 S HN 0.643 nan 8.310 nan 0.000 0.500 334 M N 2.572 122.075 119.600 -0.161 0.000 2.321 334 M HA 0.507 4.988 4.480 0.001 0.000 0.315 334 M C -1.276 174.937 176.300 -0.146 0.000 1.052 334 M CA -0.459 54.724 55.300 -0.195 0.000 0.936 334 M CB 1.738 34.245 32.600 -0.155 0.000 1.639 334 M HN 0.862 nan 8.290 nan 0.000 0.433 335 N N 1.566 120.162 118.700 -0.174 0.000 2.321 335 N HA 0.287 5.028 4.740 0.001 0.000 0.299 335 N C 0.097 175.568 175.510 -0.066 0.000 1.048 335 N CA 0.130 53.122 53.050 -0.097 0.000 0.836 335 N CB 1.761 40.198 38.487 -0.084 0.000 1.269 335 N HN 0.865 nan 8.380 nan 0.000 0.486 336 S N 3.087 118.784 115.700 -0.005 0.000 2.447 336 S HA -0.111 4.360 4.470 0.001 0.000 0.233 336 S C 1.638 176.276 174.600 0.064 0.000 1.006 336 S CA 0.659 58.883 58.200 0.041 0.000 0.957 336 S CB 0.096 63.331 63.200 0.058 0.000 0.773 336 S HN 0.727 nan 8.310 nan 0.000 0.507 337 R N 0.962 121.486 120.500 0.039 0.000 2.051 337 R HA 0.112 4.452 4.340 0.001 0.000 0.218 337 R C 2.154 178.493 176.300 0.066 0.000 1.188 337 R CA 1.345 57.467 56.100 0.037 0.000 0.992 337 R CB -0.234 30.046 30.300 -0.034 0.000 0.883 337 R HN 0.417 nan 8.270 nan 0.000 0.444 338 V N -1.411 118.529 119.914 0.042 0.000 3.608 338 V HA 0.409 4.530 4.120 0.001 0.000 0.269 338 V C 0.944 176.910 176.094 -0.213 0.000 1.245 338 V CA 0.532 62.842 62.300 0.016 0.000 1.138 338 V CB -0.291 31.570 31.823 0.063 0.000 0.841 338 V HN 0.710 nan 8.190 nan 0.000 0.451 339 G N 1.206 109.793 108.800 -0.354 0.000 2.496 339 G HA2 -0.178 3.783 3.960 0.001 0.000 0.243 339 G HA3 -0.178 3.783 3.960 0.001 0.000 0.243 339 G C -2.543 171.877 174.900 -0.799 0.000 1.176 339 G CA -0.190 44.335 45.100 -0.959 0.000 0.940 339 G HN 0.622 nan 8.290 nan 0.000 0.573 340 P HA 0.357 nan 4.420 nan 0.000 0.268 340 P C -0.522 176.465 177.300 -0.523 0.000 1.205 340 P CA 0.554 63.276 63.100 -0.629 0.000 0.771 340 P CB 0.539 31.898 31.700 -0.568 0.000 0.858 341 M N 3.435 122.777 119.600 -0.431 0.000 2.197 341 M HA 0.364 4.844 4.480 0.001 0.000 0.301 341 M C -0.406 175.667 176.300 -0.379 0.000 0.987 341 M CA -0.815 54.242 55.300 -0.404 0.000 0.921 341 M CB 1.985 34.418 32.600 -0.279 0.000 1.569 341 M HN 0.125 nan 8.290 nan 0.000 0.431 342 I N 2.698 122.970 120.570 -0.495 0.000 2.304 342 I HA 0.399 4.570 4.170 0.001 0.000 0.291 342 I C 0.006 175.972 176.117 -0.251 0.000 1.018 342 I CA 0.066 61.162 61.300 -0.340 0.000 1.260 342 I CB 0.656 38.351 38.000 -0.509 0.000 1.390 342 I HN 0.614 nan 8.210 nan 0.000 0.475 343 S N 3.079 118.693 115.700 -0.143 0.000 2.638 343 S HA 0.481 4.951 4.470 0.001 0.000 0.302 343 S C 0.042 174.535 174.600 -0.178 0.000 1.096 343 S CA -0.635 57.391 58.200 -0.291 0.000 0.953 343 S CB 1.790 64.741 63.200 -0.414 0.000 1.107 343 S HN 0.799 nan 8.310 nan 0.000 0.503 344 T N -1.266 113.037 114.554 -0.419 0.000 3.361 344 T HA -0.151 4.200 4.350 0.001 0.000 0.417 344 T C -0.150 174.707 174.700 0.262 0.000 0.769 344 T CA -0.052 61.865 62.100 -0.305 0.000 2.085 344 T CB -2.351 66.412 68.868 -0.174 0.000 1.689 344 T HN 0.436 nan 8.240 nan 0.000 0.639 345 V N 3.218 123.353 119.914 0.369 0.000 2.408 345 V HA 0.633 4.753 4.120 0.001 0.000 0.267 345 V C 1.136 177.603 176.094 0.621 0.000 1.047 345 V CA 0.108 62.704 62.300 0.493 0.000 0.937 345 V CB 0.986 33.033 31.823 0.374 0.000 0.999 345 V HN 1.035 nan 8.190 nan 0.000 0.472 346 T N 2.049 116.968 114.554 0.607 0.000 2.916 346 T HA 0.670 5.021 4.350 0.001 0.000 0.292 346 T C -1.162 173.818 174.700 0.468 0.000 1.055 346 T CA -0.775 61.623 62.100 0.497 0.000 1.009 346 T CB 2.005 71.102 68.868 0.382 0.000 1.118 346 T HN 0.397 nan 8.240 nan 0.000 0.497 347 Y N 1.844 122.256 120.300 0.187 0.000 2.331 347 Y HA 0.529 5.080 4.550 0.001 0.000 0.334 347 Y C -0.299 175.642 175.900 0.069 0.000 0.960 347 Y CA -1.335 56.742 58.100 -0.038 0.000 1.130 347 Y CB 1.489 39.856 38.460 -0.155 0.000 1.164 347 Y HN 0.872 nan 8.280 nan 0.000 0.458 348 N N 4.593 123.254 118.700 -0.065 0.000 2.399 348 N HA 0.029 4.769 4.740 0.001 0.000 0.259 348 N C -1.248 174.366 175.510 0.173 0.000 1.160 348 N CA 0.141 53.222 53.050 0.051 0.000 0.946 348 N CB 0.278 38.746 38.487 -0.031 0.000 1.156 348 N HN 0.568 nan 8.380 nan 0.000 0.489 349 D N 3.603 124.174 120.400 0.284 0.000 2.456 349 D HA 0.126 4.767 4.640 0.001 0.000 0.219 349 D C -0.461 175.922 176.300 0.139 0.000 1.126 349 D CA -0.077 54.102 54.000 0.298 0.000 0.890 349 D CB -0.697 40.283 40.800 0.300 0.000 1.025 349 D HN 0.721 nan 8.370 nan 0.000 0.511 350 N N 2.993 121.749 118.700 0.094 0.000 2.698 350 N HA -0.282 4.459 4.740 0.001 0.000 0.258 350 N C 0.903 176.433 175.510 0.033 0.000 0.978 350 N CA 0.435 53.511 53.050 0.043 0.000 0.777 350 N CB -0.575 37.933 38.487 0.036 0.000 0.907 350 N HN 0.737 nan 8.380 nan 0.000 0.543 351 G N -1.814 107.006 108.800 0.033 0.000 2.254 351 G HA2 -0.266 3.695 3.960 0.001 0.000 0.225 351 G HA3 -0.266 3.695 3.960 0.001 0.000 0.225 351 G C 0.113 175.032 174.900 0.032 0.000 1.003 351 G CA 0.297 45.411 45.100 0.024 0.000 0.622 351 G HN 0.384 nan 8.290 nan 0.000 0.507 352 T N 2.334 116.917 114.554 0.048 0.000 2.772 352 T HA 0.509 4.860 4.350 0.001 0.000 0.288 352 T C -0.006 174.743 174.700 0.081 0.000 0.994 352 T CA -0.448 61.680 62.100 0.046 0.000 0.951 352 T CB 1.511 70.394 68.868 0.026 0.000 0.933 352 T HN 0.272 nan 8.240 nan 0.000 0.447 353 K N 4.016 124.462 120.400 0.077 0.000 2.315 353 K HA 0.217 4.538 4.320 0.001 0.000 0.291 353 K C 0.267 176.926 176.600 0.099 0.000 1.074 353 K CA -0.099 56.257 56.287 0.116 0.000 0.936 353 K CB 0.660 33.231 32.500 0.119 0.000 1.049 353 K HN 0.356 nan 8.250 nan 0.000 0.471 354 R N 2.612 123.210 120.500 0.163 0.000 2.368 354 R HA 0.181 4.522 4.340 0.001 0.000 0.302 354 R C -0.148 176.256 176.300 0.173 0.000 1.002 354 R CA -0.675 55.505 56.100 0.134 0.000 0.929 354 R CB 1.174 31.576 30.300 0.170 0.000 1.073 354 R HN 0.324 nan 8.270 nan 0.000 0.464 355 K N 1.166 121.570 120.400 0.007 0.000 2.382 355 K HA 0.047 4.367 4.320 0.001 0.000 0.275 355 K C 0.258 176.949 176.600 0.152 0.000 1.009 355 K CA -0.142 56.107 56.287 -0.062 0.000 0.970 355 K CB 0.942 33.190 32.500 -0.419 0.000 0.934 355 K HN 0.321 nan 8.250 nan 0.000 0.479 356 V N 1.759 121.803 119.914 0.217 0.000 3.278 356 V HA 0.152 4.272 4.120 0.001 0.000 0.215 356 V C -0.159 175.975 176.094 0.066 0.000 1.287 356 V CA -0.017 62.312 62.300 0.048 0.000 1.302 356 V CB 0.446 32.329 31.823 0.099 0.000 1.228 356 V HN 0.748 nan 8.190 nan 0.000 0.523 357 M N -0.958 118.786 119.600 0.240 0.000 2.213 357 M HA 0.367 4.848 4.480 0.001 0.000 0.286 357 M C -0.158 176.315 176.300 0.289 0.000 1.008 357 M CA -0.604 54.811 55.300 0.192 0.000 0.937 357 M CB 2.233 34.865 32.600 0.053 0.000 1.600 357 M HN 0.340 nan 8.290 nan 0.000 0.450 358 Y N 3.326 123.721 120.300 0.157 0.000 2.337 358 Y HA 0.263 4.814 4.550 0.001 0.000 0.293 358 Y C -0.116 175.637 175.900 -0.244 0.000 1.123 358 Y CA 1.423 59.437 58.100 -0.143 0.000 1.201 358 Y CB 0.565 38.928 38.460 -0.162 0.000 1.011 358 Y HN 0.724 nan 8.280 nan 0.000 0.545 359 E N -0.600 119.421 120.200 -0.298 0.000 2.397 359 E HA 0.474 4.825 4.350 0.001 0.000 0.293 359 E C -1.361 175.107 176.600 -0.220 0.000 0.930 359 E CA -0.254 55.914 56.400 -0.387 0.000 0.793 359 E CB 1.163 30.594 29.700 -0.448 0.000 1.259 359 E HN 0.283 nan 8.360 nan 0.000 0.406 360 G N 1.428 110.077 108.800 -0.252 0.000 2.620 360 G HA2 0.734 4.695 3.960 0.001 0.000 0.301 360 G HA3 0.734 4.695 3.960 0.001 0.000 0.301 360 G C -1.080 173.630 174.900 -0.317 0.000 1.347 360 G CA -0.057 44.940 45.100 -0.172 0.000 0.971 360 G HN 0.718 nan 8.290 nan 0.000 0.488 361 S N 0.010 115.698 115.700 -0.019 0.000 2.688 361 S HA 0.486 4.957 4.470 0.001 0.000 0.266 361 S C -1.281 173.558 174.600 0.398 0.000 1.061 361 S CA -0.807 57.391 58.200 -0.003 0.000 0.844 361 S CB 0.789 63.889 63.200 -0.167 0.000 1.103 361 S HN 1.691 nan 8.310 nan 0.000 0.471 362 L N 2.018 123.461 121.223 0.366 0.000 2.485 362 L HA 0.620 4.960 4.340 0.001 0.000 0.275 362 L C 1.260 178.201 176.870 0.119 0.000 1.207 362 L CA 1.534 56.533 54.840 0.266 0.000 0.855 362 L CB 0.301 42.367 42.059 0.011 0.000 1.114 362 L HN 1.044 nan 8.230 nan 0.000 0.485 363 G N 2.536 111.370 108.800 0.057 0.000 2.524 363 G HA2 0.505 4.466 3.960 0.001 0.000 0.210 363 G HA3 0.505 4.466 3.960 0.001 0.000 0.210 363 G C 0.347 175.315 174.900 0.113 0.000 1.187 363 G CA 0.476 45.640 45.100 0.106 0.000 0.825 363 G HN 1.142 nan 8.290 nan 0.000 0.558 364 G N -1.007 107.783 108.800 -0.017 0.000 2.356 364 G HA2 0.554 4.515 3.960 0.001 0.000 0.294 364 G HA3 0.554 4.515 3.960 0.001 0.000 0.294 364 G C -1.098 173.784 174.900 -0.030 0.000 1.423 364 G CA -0.327 44.745 45.100 -0.047 0.000 0.806 364 G HN 0.789 nan 8.290 nan 0.000 0.527 365 M N -0.634 118.992 119.600 0.044 0.000 2.622 365 M HA 0.874 5.355 4.480 0.001 0.000 0.276 365 M C -1.723 174.676 176.300 0.165 0.000 1.265 365 M CA -1.090 54.266 55.300 0.093 0.000 0.850 365 M CB 2.759 35.341 32.600 -0.030 0.000 1.720 365 M HN 0.725 nan 8.290 nan 0.000 0.465 366 I N 1.572 122.222 120.570 0.133 0.000 2.722 366 I HA 0.660 4.831 4.170 0.001 0.000 0.295 366 I C -1.821 174.329 176.117 0.054 0.000 1.161 366 I CA -0.957 60.433 61.300 0.150 0.000 1.032 366 I CB 2.478 40.592 38.000 0.189 0.000 1.244 366 I HN 0.654 nan 8.210 nan 0.000 0.421 367 V N 8.562 128.550 119.914 0.123 0.000 2.320 367 V HA 0.376 4.497 4.120 0.001 0.000 0.268 367 V C -2.378 173.754 176.094 0.063 0.000 1.021 367 V CA -1.116 61.226 62.300 0.071 0.000 0.813 367 V CB 1.144 33.108 31.823 0.235 0.000 1.054 367 V HN 0.549 nan 8.190 nan 0.000 0.444 368 P HA 0.384 nan 4.420 nan 0.000 0.292 368 P C -1.241 176.087 177.300 0.046 0.000 1.287 368 P CA -0.326 62.879 63.100 0.175 0.000 0.800 368 P CB 1.446 33.407 31.700 0.435 0.000 0.945 369 Y N 0.931 121.271 120.300 0.068 0.000 2.392 369 Y HA 0.511 5.062 4.550 0.001 0.000 0.323 369 Y C 1.862 177.771 175.900 0.016 0.000 1.291 369 Y CA 0.324 58.459 58.100 0.059 0.000 1.345 369 Y CB 1.005 39.527 38.460 0.104 0.000 1.320 369 Y HN 0.488 nan 8.280 nan 0.000 0.518 370 G N 0.078 108.929 108.800 0.086 0.000 3.863 370 G HA2 0.037 3.998 3.960 0.001 0.000 0.290 370 G HA3 0.037 3.998 3.960 0.001 0.000 0.290 370 G C -0.823 174.000 174.900 -0.129 0.000 1.018 370 G CA -0.140 44.936 45.100 -0.040 0.000 0.824 370 G HN 0.488 nan 8.290 nan 0.000 0.507 371 D N 1.163 121.488 120.400 -0.125 0.000 2.233 371 D HA 0.251 4.892 4.640 0.001 0.000 0.240 371 D C -1.347 174.808 176.300 -0.242 0.000 1.074 371 D CA -1.843 51.887 54.000 -0.450 0.000 0.838 371 D CB 3.046 43.595 40.800 -0.418 0.000 1.124 371 D HN 0.021 nan 8.370 nan 0.000 0.475 372 P HA -0.014 nan 4.420 nan 0.000 0.231 372 P C -0.093 177.239 177.300 0.053 0.000 1.168 372 P CA 0.082 63.108 63.100 -0.124 0.000 0.779 372 P CB 0.611 32.192 31.700 -0.198 0.000 0.844 373 D N 0.647 121.086 120.400 0.066 0.000 2.364 373 D HA -0.033 4.608 4.640 0.001 0.000 0.236 373 D C 1.981 178.510 176.300 0.382 0.000 1.221 373 D CA -0.045 54.080 54.000 0.209 0.000 0.891 373 D CB 0.647 41.576 40.800 0.215 0.000 1.190 373 D HN 0.095 nan 8.370 nan 0.000 0.449 374 I N -1.860 118.911 120.570 0.335 0.000 2.248 374 I HA -0.154 4.016 4.170 0.001 0.000 0.248 374 I C 1.581 177.871 176.117 0.287 0.000 1.107 374 I CA 1.777 63.298 61.300 0.368 0.000 1.373 374 I CB -0.530 37.595 38.000 0.208 0.000 1.055 374 I HN 0.279 nan 8.210 nan 0.000 0.418 375 G N -1.025 107.897 108.800 0.203 0.000 3.233 375 G HA2 0.156 4.116 3.960 0.001 0.000 0.227 375 G HA3 0.156 4.116 3.960 0.001 0.000 0.227 375 G C 0.440 174.957 174.900 -0.638 0.000 1.175 375 G CA -0.191 44.856 45.100 -0.089 0.000 0.781 375 G HN 0.649 nan 8.290 nan 0.000 0.542 376 W N -1.812 119.375 121.300 -0.187 0.000 3.330 376 W HA 0.172 4.833 4.660 0.002 0.000 0.194 376 W C 1.937 178.191 176.519 -0.441 0.000 1.041 376 W CA -0.314 56.775 57.345 -0.427 0.000 1.399 376 W CB -0.365 28.961 29.460 -0.223 0.000 0.694 376 W HN 0.185 nan 8.180 nan 0.000 0.832 377 Y N 1.115 121.431 120.300 0.026 0.000 2.241 377 Y HA -0.279 4.272 4.550 0.001 0.000 0.286 377 Y C 1.761 177.733 175.900 0.120 0.000 1.166 377 Y CA 1.593 59.726 58.100 0.055 0.000 1.203 377 Y CB -1.816 36.656 38.460 0.019 0.000 0.977 377 Y HN 0.060 nan 8.280 nan 0.000 0.529 378 F N 0.404 120.147 119.950 -0.346 0.000 2.743 378 F HA 0.330 4.858 4.527 0.001 0.000 0.297 378 F C 1.034 176.840 175.800 0.010 0.000 1.131 378 F CA -0.968 57.027 58.000 -0.008 0.000 1.426 378 F CB -0.652 38.178 39.000 -0.284 0.000 1.116 378 F HN -0.151 nan 8.300 nan 0.000 0.583 379 K N 2.217 122.067 120.400 -0.918 0.000 2.245 379 K HA 0.425 4.746 4.320 0.001 0.000 0.281 379 K C -0.694 175.659 176.600 -0.411 0.000 1.079 379 K CA 0.275 56.073 56.287 -0.815 0.000 1.000 379 K CB -0.431 31.468 32.500 -1.002 0.000 1.038 379 K HN 0.366 nan 8.250 nan 0.000 0.430 380 A N 5.547 128.142 122.820 -0.375 0.000 2.876 380 A HA 0.251 4.572 4.320 0.001 0.000 0.309 380 A C -1.559 175.989 177.584 -0.059 0.000 1.168 380 A CA -0.744 51.218 52.037 -0.125 0.000 0.762 380 A CB 0.201 19.225 19.000 0.039 0.000 1.262 380 A HN 0.555 nan 8.150 nan 0.000 0.435 381 Y N 0.790 121.217 120.300 0.211 0.000 2.359 381 Y HA 0.437 4.988 4.550 0.001 0.000 0.330 381 Y C 0.263 176.282 175.900 0.198 0.000 1.143 381 Y CA -0.763 57.465 58.100 0.214 0.000 1.318 381 Y CB 0.629 39.205 38.460 0.193 0.000 1.234 381 Y HN 0.407 nan 8.280 nan 0.000 0.522 382 L N 4.175 125.638 121.223 0.400 0.000 2.581 382 L HA 0.282 4.623 4.340 0.001 0.000 0.241 382 L C 0.811 177.868 176.870 0.312 0.000 1.265 382 L CA -0.258 54.747 54.840 0.275 0.000 0.954 382 L CB 0.325 42.499 42.059 0.192 0.000 1.269 382 L HN 0.632 nan 8.230 nan 0.000 0.475 383 D N 0.158 120.739 120.400 0.302 0.000 2.126 383 D HA -0.250 4.391 4.640 0.001 0.000 0.190 383 D C 1.920 178.400 176.300 0.299 0.000 1.001 383 D CA 2.139 56.320 54.000 0.302 0.000 0.841 383 D CB 0.214 41.147 40.800 0.221 0.000 0.949 383 D HN 0.577 nan 8.370 nan 0.000 0.446 384 S N 0.184 116.004 115.700 0.199 0.000 2.371 384 S HA -0.033 4.437 4.470 0.001 0.000 0.224 384 S C 2.277 176.917 174.600 0.066 0.000 1.029 384 S CA 1.264 59.556 58.200 0.154 0.000 0.978 384 S CB -0.822 62.448 63.200 0.116 0.000 0.833 384 S HN 0.282 nan 8.310 nan 0.000 0.466 385 G N 1.709 110.516 108.800 0.012 0.000 2.404 385 G HA2 -0.120 3.841 3.960 0.001 0.000 0.215 385 G HA3 -0.120 3.841 3.960 0.001 0.000 0.215 385 G C 1.107 175.981 174.900 -0.043 0.000 1.174 385 G CA 1.025 46.066 45.100 -0.099 0.000 0.780 385 G HN 0.524 nan 8.290 nan 0.000 0.537 386 D N -1.217 119.213 120.400 0.049 0.000 2.333 386 D HA 0.098 4.739 4.640 0.001 0.000 0.208 386 D C 1.165 177.273 176.300 -0.321 0.000 0.984 386 D CA 0.483 54.423 54.000 -0.101 0.000 0.873 386 D CB 0.264 41.013 40.800 -0.085 0.000 0.935 386 D HN 0.469 nan 8.370 nan 0.000 0.521 387 Y N -0.279 120.080 120.300 0.100 0.000 2.452 387 Y HA 0.320 4.871 4.550 0.001 0.000 0.262 387 Y C 1.133 177.106 175.900 0.122 0.000 1.089 387 Y CA 0.061 58.243 58.100 0.138 0.000 1.262 387 Y CB 0.914 39.477 38.460 0.172 0.000 1.236 387 Y HN -0.105 nan 8.280 nan 0.000 0.512 388 G N 1.521 110.455 108.800 0.224 0.000 2.788 388 G HA2 -0.246 3.715 3.960 0.001 0.000 0.249 388 G HA3 -0.246 3.715 3.960 0.001 0.000 0.249 388 G C 0.394 175.438 174.900 0.239 0.000 1.008 388 G CA 0.207 45.412 45.100 0.176 0.000 1.220 388 G HN 0.260 nan 8.290 nan 0.000 0.506 389 M N 1.032 120.803 119.600 0.286 0.000 2.296 389 M HA 0.030 4.511 4.480 0.001 0.000 0.265 389 M C 2.687 179.314 176.300 0.545 0.000 1.064 389 M CA 1.998 57.535 55.300 0.395 0.000 1.109 389 M CB -0.057 32.828 32.600 0.475 0.000 1.396 389 M HN 0.625 nan 8.290 nan 0.000 0.430 390 G N -0.130 108.908 108.800 0.397 0.000 2.402 390 G HA2 -0.165 3.795 3.960 0.001 0.000 0.216 390 G HA3 -0.165 3.795 3.960 0.001 0.000 0.216 390 G C 1.489 176.547 174.900 0.264 0.000 1.162 390 G CA 1.307 46.588 45.100 0.302 0.000 0.777 390 G HN 0.348 nan 8.290 nan 0.000 0.539 391 T N 1.168 115.844 114.554 0.203 0.000 2.867 391 T HA 0.030 4.380 4.350 0.001 0.000 0.268 391 T C 1.951 176.747 174.700 0.161 0.000 1.057 391 T CA 0.540 62.737 62.100 0.160 0.000 1.136 391 T CB -0.109 68.843 68.868 0.140 0.000 0.874 391 T HN 0.130 nan 8.240 nan 0.000 0.466 392 L N 1.541 122.877 121.223 0.189 0.000 2.653 392 L HA 0.167 4.507 4.340 0.001 0.000 0.232 392 L C 0.600 177.555 176.870 0.143 0.000 1.169 392 L CA -0.281 54.644 54.840 0.141 0.000 0.951 392 L CB -0.619 41.520 42.059 0.133 0.000 1.181 392 L HN 0.076 nan 8.230 nan 0.000 0.460 393 T N 0.237 114.931 114.554 0.234 0.000 2.946 393 T HA -0.026 4.325 4.350 0.001 0.000 0.312 393 T C 0.629 175.392 174.700 0.106 0.000 1.066 393 T CA 0.462 62.708 62.100 0.244 0.000 1.138 393 T CB 0.551 69.693 68.868 0.456 0.000 1.014 393 T HN 0.139 nan 8.240 nan 0.000 0.544 394 S N 4.956 120.668 115.700 0.021 0.000 2.438 394 S HA 0.362 4.832 4.470 0.001 0.000 0.316 394 S C -2.265 172.354 174.600 0.032 0.000 1.084 394 S CA -1.196 57.008 58.200 0.007 0.000 1.107 394 S CB 1.100 64.272 63.200 -0.047 0.000 0.981 394 S HN 0.456 nan 8.310 nan 0.000 0.466 395 P HA 0.030 nan 4.420 nan 0.000 0.262 395 P C -0.315 177.006 177.300 0.035 0.000 1.182 395 P CA -0.111 63.019 63.100 0.050 0.000 0.761 395 P CB 0.217 31.938 31.700 0.034 0.000 0.795 396 I N 2.458 123.059 120.570 0.052 0.000 2.668 396 I HA 0.006 4.176 4.170 0.001 0.000 0.285 396 I C 0.980 177.107 176.117 0.017 0.000 1.168 396 I CA -0.129 61.196 61.300 0.042 0.000 1.424 396 I CB -0.324 37.718 38.000 0.070 0.000 1.377 396 I HN 0.361 nan 8.210 nan 0.000 0.560 397 A N 7.917 130.739 122.820 0.003 0.000 2.376 397 A HA 0.202 4.522 4.320 0.001 0.000 0.298 397 A C 0.802 178.378 177.584 -0.013 0.000 1.271 397 A CA -0.510 51.523 52.037 -0.007 0.000 0.926 397 A CB -0.144 18.851 19.000 -0.010 0.000 1.141 397 A HN 0.766 nan 8.150 nan 0.000 0.539 398 R N 2.070 122.560 120.500 -0.015 0.000 2.494 398 R HA 0.175 4.516 4.340 0.001 0.000 0.291 398 R C 1.466 177.751 176.300 -0.025 0.000 0.953 398 R CA 1.743 57.831 56.100 -0.020 0.000 1.098 398 R CB -0.065 30.219 30.300 -0.026 0.000 0.911 398 R HN 1.565 nan 8.270 nan 0.000 0.407 399 G N 3.264 112.041 108.800 -0.039 0.000 2.267 399 G HA2 -0.351 3.610 3.960 0.001 0.000 0.257 399 G HA3 -0.351 3.610 3.960 0.001 0.000 0.257 399 G C 0.736 175.609 174.900 -0.046 0.000 0.998 399 G CA 0.739 45.814 45.100 -0.042 0.000 0.620 399 G HN 0.643 nan 8.290 nan 0.000 0.529 400 K N -0.707 119.670 120.400 -0.038 0.000 2.312 400 K HA 0.154 4.474 4.320 0.001 0.000 0.206 400 K C 1.348 177.929 176.600 -0.031 0.000 1.121 400 K CA 0.450 56.718 56.287 -0.030 0.000 0.923 400 K CB 0.091 32.580 32.500 -0.019 0.000 1.162 400 K HN 0.110 nan 8.250 nan 0.000 0.478 401 D N 0.783 121.168 120.400 -0.025 0.000 2.347 401 D HA 0.046 4.687 4.640 0.001 0.000 0.215 401 D C 0.045 176.335 176.300 -0.017 0.000 0.976 401 D CA 0.499 54.495 54.000 -0.007 0.000 0.884 401 D CB 0.540 41.343 40.800 0.004 0.000 0.915 401 D HN 0.167 nan 8.370 nan 0.000 0.526 402 A N 0.749 123.513 122.820 -0.094 0.000 2.572 402 A HA 0.536 4.857 4.320 0.001 0.000 0.295 402 A C -2.690 174.693 177.584 -0.335 0.000 1.072 402 A CA -1.315 50.560 52.037 -0.270 0.000 0.691 402 A CB 1.760 20.641 19.000 -0.198 0.000 1.291 402 A HN -0.233 nan 8.150 nan 0.000 0.404 403 P HA 0.034 nan 4.420 nan 0.000 0.268 403 P C 0.942 178.119 177.300 -0.206 0.000 1.208 403 P CA 0.544 63.437 63.100 -0.345 0.000 0.777 403 P CB 0.793 32.246 31.700 -0.411 0.000 0.875 404 S N 0.503 116.149 115.700 -0.090 0.000 2.493 404 S HA -0.158 4.313 4.470 0.001 0.000 0.243 404 S C 1.140 175.756 174.600 0.026 0.000 0.991 404 S CA 0.836 59.025 58.200 -0.019 0.000 0.957 404 S CB -1.084 62.124 63.200 0.014 0.000 0.756 404 S HN 0.655 nan 8.310 nan 0.000 0.521 405 N N 1.601 120.313 118.700 0.021 0.000 2.279 405 N HA 0.342 5.083 4.740 0.001 0.000 0.226 405 N C 0.013 175.612 175.510 0.148 0.000 1.126 405 N CA 0.111 53.220 53.050 0.098 0.000 0.846 405 N CB 0.097 38.651 38.487 0.112 0.000 1.050 405 N HN 0.458 nan 8.380 nan 0.000 0.502 406 A N 0.165 123.039 122.820 0.091 0.000 2.279 406 A HA 0.609 4.930 4.320 0.001 0.000 0.303 406 A C -0.304 177.399 177.584 0.199 0.000 1.108 406 A CA -0.530 51.609 52.037 0.171 0.000 0.830 406 A CB 1.155 20.175 19.000 0.035 0.000 1.106 406 A HN 0.073 nan 8.150 nan 0.000 0.493 407 V N 2.138 122.203 119.914 0.252 0.000 2.417 407 V HA 0.339 4.460 4.120 0.001 0.000 0.291 407 V C -0.404 175.818 176.094 0.214 0.000 1.024 407 V CA -0.228 62.225 62.300 0.255 0.000 0.861 407 V CB 1.167 33.182 31.823 0.321 0.000 0.985 407 V HN 0.685 nan 8.190 nan 0.000 0.436 408 L N 6.214 127.544 121.223 0.178 0.000 2.272 408 L HA 0.572 4.912 4.340 0.001 0.000 0.289 408 L C -0.472 176.481 176.870 0.138 0.000 1.032 408 L CA -0.380 54.542 54.840 0.137 0.000 0.810 408 L CB 1.287 43.392 42.059 0.076 0.000 1.205 408 L HN 0.402 nan 8.230 nan 0.000 0.422 409 L N 3.310 124.615 121.223 0.138 0.000 2.343 409 L HA 0.453 4.793 4.340 0.001 0.000 0.275 409 L C -0.038 176.867 176.870 0.058 0.000 1.056 409 L CA -0.687 54.220 54.840 0.113 0.000 0.804 409 L CB 1.078 43.207 42.059 0.116 0.000 1.203 409 L HN 0.586 nan 8.230 nan 0.000 0.440 410 N N 1.624 120.334 118.700 0.017 0.000 2.487 410 N HA 0.420 5.160 4.740 0.001 0.000 0.292 410 N C -0.777 174.734 175.510 0.003 0.000 1.108 410 N CA -0.561 52.493 53.050 0.006 0.000 0.956 410 N CB 1.928 40.401 38.487 -0.023 0.000 1.176 410 N HN 0.478 nan 8.380 nan 0.000 0.484 411 E N 0.388 120.593 120.200 0.009 0.000 2.340 411 E HA 0.430 4.781 4.350 0.001 0.000 0.273 411 E C -0.832 175.766 176.600 -0.003 0.000 0.891 411 E CA -0.554 55.842 56.400 -0.006 0.000 0.757 411 E CB 2.137 31.831 29.700 -0.011 0.000 1.231 411 E HN 0.327 nan 8.360 nan 0.000 0.439 412 T N 2.658 117.203 114.554 -0.015 0.000 2.807 412 T HA 0.714 5.065 4.350 0.001 0.000 0.279 412 T C 0.270 174.961 174.700 -0.016 0.000 0.993 412 T CA -0.552 61.541 62.100 -0.013 0.000 0.970 412 T CB 0.499 69.356 68.868 -0.020 0.000 0.950 412 T HN 0.450 nan 8.240 nan 0.000 0.441 413 I N -0.517 120.049 120.570 -0.007 0.000 3.343 413 I HA 0.988 5.158 4.170 0.001 0.000 0.315 413 I C -0.954 175.158 176.117 -0.010 0.000 1.153 413 I CA -1.858 59.439 61.300 -0.005 0.000 0.952 413 I CB 1.800 39.809 38.000 0.015 0.000 1.287 413 I HN 0.611 nan 8.210 nan 0.000 0.472 414 A N 1.606 124.420 122.820 -0.011 0.000 2.312 414 A HA 0.624 4.945 4.320 0.001 0.000 0.326 414 A C -0.770 176.823 177.584 0.014 0.000 1.172 414 A CA -0.424 51.594 52.037 -0.033 0.000 0.821 414 A CB 0.520 19.474 19.000 -0.076 0.000 1.166 414 A HN 0.861 nan 8.150 nan 0.000 0.493 415 D N 0.091 120.491 120.400 0.000 0.000 2.447 415 D HA 0.161 4.802 4.640 0.001 0.000 0.265 415 D C 0.771 177.135 176.300 0.107 0.000 1.250 415 D CA 0.153 54.191 54.000 0.063 0.000 1.046 415 D CB -0.082 40.723 40.800 0.008 0.000 1.095 415 D HN 0.626 nan 8.370 nan 0.000 0.555 416 Y N -2.567 117.803 120.300 0.116 0.000 2.497 416 Y HA 0.001 4.552 4.550 0.001 0.000 0.292 416 Y C 1.806 177.896 175.900 0.316 0.000 1.137 416 Y CA 1.062 59.275 58.100 0.188 0.000 1.285 416 Y CB -1.378 37.160 38.460 0.130 0.000 0.991 416 Y HN 0.369 nan 8.280 nan 0.000 0.556 417 T N -3.388 110.955 114.554 -0.353 0.000 3.144 417 T HA 0.446 4.796 4.350 0.001 0.000 0.249 417 T C 1.600 176.317 174.700 0.029 0.000 1.089 417 T CA 0.241 62.284 62.100 -0.095 0.000 0.989 417 T CB -0.489 68.181 68.868 -0.330 0.000 0.992 417 T HN 0.878 nan 8.240 nan 0.000 0.540 418 G N 0.581 109.286 108.800 -0.159 0.000 2.159 418 G HA2 -0.226 3.734 3.960 0.001 0.000 0.256 418 G HA3 -0.226 3.734 3.960 0.001 0.000 0.256 418 G C 0.008 174.715 174.900 -0.320 0.000 0.977 418 G CA -0.032 44.719 45.100 -0.581 0.000 0.652 418 G HN 0.692 nan 8.290 nan 0.000 0.531 419 V N 1.787 121.586 119.914 -0.192 0.000 2.465 419 V HA 0.418 4.539 4.120 0.001 0.000 0.279 419 V C -1.482 174.552 176.094 -0.101 0.000 1.045 419 V CA -1.564 60.656 62.300 -0.134 0.000 0.938 419 V CB 1.558 33.319 31.823 -0.104 0.000 0.986 419 V HN 0.081 nan 8.190 nan 0.000 0.467 420 P HA 0.075 nan 4.420 nan 0.000 0.264 420 P C -0.547 176.730 177.300 -0.038 0.000 1.183 420 P CA 0.377 63.441 63.100 -0.060 0.000 0.763 420 P CB 0.289 31.956 31.700 -0.054 0.000 0.807 421 M N 2.690 122.276 119.600 -0.023 0.000 2.151 421 M HA 0.281 4.761 4.480 0.001 0.000 0.290 421 M C -0.783 175.518 176.300 0.003 0.000 0.965 421 M CA -0.530 54.767 55.300 -0.004 0.000 0.930 421 M CB 1.521 34.128 32.600 0.011 0.000 1.560 421 M HN 0.205 nan 8.290 nan 0.000 0.438 422 E N 5.552 125.754 120.200 0.003 0.000 2.146 422 E HA 0.407 4.758 4.350 0.001 0.000 0.282 422 E C -1.375 175.236 176.600 0.018 0.000 0.989 422 E CA -0.513 55.890 56.400 0.005 0.000 0.799 422 E CB 1.076 30.773 29.700 -0.005 0.000 1.088 422 E HN 0.747 nan 8.360 nan 0.000 0.397 423 I N 7.892 128.480 120.570 0.030 0.000 2.297 423 I HA 0.251 4.422 4.170 0.001 0.000 0.291 423 I C -1.946 174.196 176.117 0.041 0.000 1.033 423 I CA -2.146 59.184 61.300 0.049 0.000 1.253 423 I CB 1.067 39.117 38.000 0.083 0.000 1.396 423 I HN 0.354 nan 8.210 nan 0.000 0.476 424 P HA 0.119 nan 4.420 nan 0.000 0.275 424 P C -0.500 176.820 177.300 0.034 0.000 1.227 424 P CA -0.277 62.832 63.100 0.015 0.000 0.781 424 P CB 0.686 32.386 31.700 -0.000 0.000 0.906 425 R N 1.086 121.604 120.500 0.030 0.000 3.322 425 R HA -0.223 4.117 4.340 0.001 0.000 0.253 425 R C 1.152 177.512 176.300 0.101 0.000 0.987 425 R CA 0.434 56.567 56.100 0.054 0.000 0.666 425 R CB -2.390 27.930 30.300 0.033 0.000 1.072 425 R HN 0.622 nan 8.270 nan 0.000 0.447 426 A N 0.264 123.156 122.820 0.119 0.000 1.929 426 A HA 0.093 4.414 4.320 0.001 0.000 0.216 426 A C 1.046 178.797 177.584 0.279 0.000 1.176 426 A CA 0.931 53.083 52.037 0.193 0.000 0.628 426 A CB 0.329 19.418 19.000 0.149 0.000 0.816 426 A HN 0.368 nan 8.150 nan 0.000 0.444 427 I N -1.288 119.403 120.570 0.202 0.000 2.619 427 I HA 0.533 4.703 4.170 0.001 0.000 0.292 427 I C -0.383 175.849 176.117 0.192 0.000 1.100 427 I CA -0.746 60.689 61.300 0.226 0.000 1.043 427 I CB 2.217 40.299 38.000 0.138 0.000 1.239 427 I HN 0.131 nan 8.210 nan 0.000 0.420 428 A N 5.777 128.738 122.820 0.235 0.000 2.317 428 A HA 0.832 5.153 4.320 0.001 0.000 0.327 428 A C -0.851 176.878 177.584 0.242 0.000 1.178 428 A CA -0.495 51.695 52.037 0.255 0.000 0.817 428 A CB 1.327 20.514 19.000 0.310 0.000 1.189 428 A HN 0.425 nan 8.150 nan 0.000 0.489 429 V N 2.925 122.947 119.914 0.182 0.000 2.540 429 V HA 0.768 4.889 4.120 0.001 0.000 0.302 429 V C -0.941 175.205 176.094 0.088 0.000 1.035 429 V CA -0.286 61.984 62.300 -0.050 0.000 0.873 429 V CB 0.796 32.455 31.823 -0.275 0.000 0.992 429 V HN 0.955 nan 8.190 nan 0.000 0.428 430 F N 1.130 120.958 119.950 -0.203 0.000 2.672 430 F HA 0.667 5.194 4.527 0.001 0.000 0.311 430 F C -0.886 174.835 175.800 -0.131 0.000 1.113 430 F CA -0.990 56.961 58.000 -0.081 0.000 0.996 430 F CB 1.384 40.389 39.000 0.009 0.000 1.286 430 F HN 0.482 nan 8.300 nan 0.000 0.441 431 E N 2.636 122.925 120.200 0.147 0.000 2.277 431 E HA 0.678 5.029 4.350 0.001 0.000 0.274 431 E C -0.985 175.727 176.600 0.187 0.000 1.022 431 E CA -0.932 55.486 56.400 0.030 0.000 0.853 431 E CB 1.395 31.215 29.700 0.200 0.000 1.086 431 E HN 0.856 nan 8.360 nan 0.000 0.397 432 R N 2.527 123.095 120.500 0.112 0.000 2.668 432 R HA 0.225 4.566 4.340 0.001 0.000 0.272 432 R C -1.484 174.895 176.300 0.131 0.000 1.019 432 R CA -0.950 55.252 56.100 0.169 0.000 0.894 432 R CB 0.514 30.928 30.300 0.190 0.000 1.228 432 R HN 0.515 nan 8.270 nan 0.000 0.460 433 Y N 1.701 122.031 120.300 0.051 0.000 2.425 433 Y HA 0.419 4.970 4.550 0.001 0.000 0.331 433 Y C -0.386 175.511 175.900 -0.006 0.000 1.157 433 Y CA 0.358 58.474 58.100 0.025 0.000 1.372 433 Y CB 1.271 39.742 38.460 0.017 0.000 1.253 433 Y HN 0.836 nan 8.280 nan 0.000 0.536 434 A N 5.214 127.582 122.820 -0.752 0.000 2.992 434 A HA 0.599 4.920 4.320 0.001 0.000 0.263 434 A C 0.570 177.737 177.584 -0.694 0.000 0.928 434 A CA 0.077 51.773 52.037 -0.568 0.000 1.061 434 A CB -0.785 18.010 19.000 -0.341 0.000 1.173 434 A HN 1.804 nan 8.150 nan 0.000 0.482 435 G N 0.902 108.933 108.800 -1.282 0.000 2.750 435 G HA2 -0.133 3.827 3.960 0.001 0.000 0.228 435 G HA3 -0.133 3.827 3.960 0.001 0.000 0.228 435 G C -2.823 171.832 174.900 -0.408 0.000 1.367 435 G CA -0.335 44.398 45.100 -0.611 0.000 0.871 435 G HN 0.588 nan 8.290 nan 0.000 0.560 436 P HA 0.265 nan 4.420 nan 0.000 0.276 436 P C 0.462 177.693 177.300 -0.115 0.000 1.235 436 P CA 0.068 63.115 63.100 -0.088 0.000 0.772 436 P CB 1.771 33.457 31.700 -0.022 0.000 0.871 437 E N 4.438 124.536 120.200 -0.169 0.000 2.077 437 E HA -0.155 4.196 4.350 0.001 0.000 0.193 437 E C 0.044 176.635 176.600 -0.016 0.000 0.989 437 E CA 1.838 58.162 56.400 -0.127 0.000 0.800 437 E CB -0.413 29.157 29.700 -0.216 0.000 0.746 437 E HN 0.602 nan 8.360 nan 0.000 0.452 438 Y N -3.035 117.270 120.300 0.008 0.000 2.677 438 Y HA 0.647 5.198 4.550 0.001 0.000 0.334 438 Y C -1.125 174.792 175.900 0.029 0.000 1.196 438 Y CA -1.662 56.445 58.100 0.012 0.000 1.059 438 Y CB 0.696 39.159 38.460 0.004 0.000 1.315 438 Y HN -0.130 nan 8.280 nan 0.000 0.455 439 K N 1.349 121.942 120.400 0.321 0.000 2.578 439 K HA 0.536 4.856 4.320 0.001 0.000 0.269 439 K C -2.644 174.112 176.600 0.261 0.000 0.941 439 K CA -0.805 55.625 56.287 0.238 0.000 0.847 439 K CB 2.138 34.706 32.500 0.114 0.000 1.397 439 K HN 1.058 nan 8.250 nan 0.000 0.422 440 H N 1.928 121.059 119.070 0.101 0.000 3.179 440 H HA 0.219 4.775 4.556 0.001 0.000 0.331 440 H C -1.872 173.482 175.328 0.043 0.000 1.013 440 H CA -0.329 55.753 56.048 0.056 0.000 1.430 440 H CB 1.692 31.476 29.762 0.037 0.000 1.895 440 H HN 0.532 nan 8.280 nan 0.000 0.468 441 Q N 3.657 123.205 119.800 -0.420 0.000 2.509 441 Q HA 0.250 4.591 4.340 0.001 0.000 0.236 441 Q C -0.787 174.895 176.000 -0.531 0.000 1.073 441 Q CA -0.719 54.879 55.803 -0.342 0.000 0.867 441 Q CB 0.585 29.234 28.738 -0.147 0.000 1.181 441 Q HN 0.585 nan 8.270 nan 0.000 0.526 442 E N 3.274 123.125 120.200 -0.582 0.000 2.344 442 E HA 0.054 4.404 4.350 0.001 0.000 0.270 442 E C -0.541 175.972 176.600 -0.145 0.000 1.021 442 E CA -0.059 56.143 56.400 -0.331 0.000 0.887 442 E CB 0.484 30.118 29.700 -0.110 0.000 0.997 442 E HN 0.782 nan 8.360 nan 0.000 0.429 443 M N 4.517 124.070 119.600 -0.079 0.000 2.261 443 M HA 0.088 4.569 4.480 0.001 0.000 0.350 443 M C 0.941 177.222 176.300 -0.032 0.000 1.343 443 M CA 1.759 57.032 55.300 -0.044 0.000 1.003 443 M CB -0.153 32.436 32.600 -0.018 0.000 1.848 443 M HN 0.832 nan 8.290 nan 0.000 0.456 444 G N 2.753 111.535 108.800 -0.030 0.000 2.166 444 G HA2 -0.206 3.754 3.960 0.001 0.000 0.260 444 G HA3 -0.206 3.754 3.960 0.001 0.000 0.260 444 G C -0.242 174.646 174.900 -0.021 0.000 0.986 444 G CA 0.210 45.298 45.100 -0.020 0.000 0.683 444 G HN 0.664 nan 8.290 nan 0.000 0.527 445 Q N -0.573 119.208 119.800 -0.032 0.000 2.416 445 Q HA 0.545 4.886 4.340 0.001 0.000 0.279 445 Q C -2.618 173.363 176.000 -0.032 0.000 1.101 445 Q CA -1.940 53.846 55.803 -0.027 0.000 0.830 445 Q CB 1.278 30.001 28.738 -0.026 0.000 1.402 445 Q HN 0.138 nan 8.270 nan 0.000 0.445 446 P HA 0.008 nan 4.420 nan 0.000 0.268 446 P C -0.082 177.204 177.300 -0.023 0.000 1.205 446 P CA -0.127 62.963 63.100 -0.016 0.000 0.771 446 P CB 0.533 32.230 31.700 -0.005 0.000 0.858 447 N N 1.781 120.467 118.700 -0.023 0.000 2.415 447 N HA 0.083 4.823 4.740 0.001 0.000 0.248 447 N C -1.238 174.277 175.510 0.008 0.000 1.271 447 N CA 0.134 53.170 53.050 -0.024 0.000 0.913 447 N CB 0.487 38.962 38.487 -0.020 0.000 1.129 447 N HN 0.023 nan 8.380 nan 0.000 0.444 448 V N 1.599 121.532 119.914 0.031 0.000 2.482 448 V HA 0.387 4.508 4.120 0.001 0.000 0.295 448 V C -0.739 175.419 176.094 0.106 0.000 1.026 448 V CA -0.569 61.783 62.300 0.088 0.000 0.856 448 V CB 1.317 33.227 31.823 0.145 0.000 1.001 448 V HN 0.703 nan 8.190 nan 0.000 0.424 449 S N 2.471 118.203 115.700 0.055 0.000 2.537 449 S HA 0.846 5.316 4.470 0.001 0.000 0.270 449 S C -0.432 174.100 174.600 -0.114 0.000 1.142 449 S CA -0.746 57.446 58.200 -0.014 0.000 0.870 449 S CB 2.462 65.661 63.200 -0.002 0.000 1.112 449 S HN 0.949 nan 8.310 nan 0.000 0.466 450 T N -0.868 113.516 114.554 -0.283 0.000 2.909 450 T HA 0.652 5.003 4.350 0.001 0.000 0.299 450 T C -0.960 173.611 174.700 -0.215 0.000 1.073 450 T CA -1.070 60.853 62.100 -0.296 0.000 0.999 450 T CB 1.431 69.977 68.868 -0.538 0.000 1.098 450 T HN 0.669 nan 8.240 nan 0.000 0.477 451 E N 1.937 122.089 120.200 -0.080 0.000 2.313 451 E HA 0.422 4.772 4.350 0.001 0.000 0.272 451 E C -0.214 176.349 176.600 -0.063 0.000 1.038 451 E CA -1.119 55.284 56.400 0.006 0.000 0.863 451 E CB 1.453 31.278 29.700 0.207 0.000 1.060 451 E HN 0.690 nan 8.360 nan 0.000 0.402 452 R N 1.537 121.954 120.500 -0.138 0.000 2.404 452 R HA 0.280 4.621 4.340 0.001 0.000 0.291 452 R C -0.725 175.533 176.300 -0.070 0.000 1.025 452 R CA -0.681 55.350 56.100 -0.114 0.000 0.991 452 R CB 0.824 31.025 30.300 -0.165 0.000 1.053 452 R HN 0.478 nan 8.270 nan 0.000 0.479 453 R N 2.763 123.306 120.500 0.071 0.000 2.621 453 R HA 0.330 4.670 4.340 0.001 0.000 0.292 453 R C -1.035 175.416 176.300 0.252 0.000 0.969 453 R CA -0.693 55.522 56.100 0.192 0.000 0.887 453 R CB 2.057 32.578 30.300 0.370 0.000 1.180 453 R HN 0.757 nan 8.270 nan 0.000 0.450 454 E N 1.818 122.048 120.200 0.050 0.000 2.238 454 E HA 0.370 4.721 4.350 0.001 0.000 0.267 454 E C -0.867 175.496 176.600 -0.395 0.000 0.887 454 E CA -1.156 55.168 56.400 -0.127 0.000 0.769 454 E CB 2.665 32.178 29.700 -0.312 0.000 1.187 454 E HN 0.088 nan 8.360 nan 0.000 0.416 455 L N 3.017 123.817 121.223 -0.705 0.000 2.280 455 L HA 0.331 4.672 4.340 0.001 0.000 0.287 455 L C -1.335 175.195 176.870 -0.566 0.000 1.023 455 L CA -0.596 53.668 54.840 -0.960 0.000 0.819 455 L CB 1.280 42.413 42.059 -1.543 0.000 1.212 455 L HN 0.301 nan 8.230 nan 0.000 0.420 456 V N 5.812 125.276 119.914 -0.749 0.000 2.472 456 V HA 0.473 4.593 4.120 0.001 0.000 0.290 456 V C -0.294 175.457 176.094 -0.572 0.000 1.037 456 V CA -0.662 61.196 62.300 -0.736 0.000 0.908 456 V CB 1.782 32.878 31.823 -1.212 0.000 0.985 456 V HN 0.477 nan 8.190 nan 0.000 0.454 457 V N 5.884 125.702 119.914 -0.159 0.000 2.304 457 V HA 0.469 4.590 4.120 0.001 0.000 0.278 457 V C 0.105 176.326 176.094 0.212 0.000 1.018 457 V CA -0.566 61.759 62.300 0.041 0.000 0.814 457 V CB 1.201 33.121 31.823 0.162 0.000 1.021 457 V HN 0.870 nan 8.190 nan 0.000 0.440 458 R N 3.725 124.383 120.500 0.262 0.000 2.460 458 R HA 0.569 4.910 4.340 0.001 0.000 0.303 458 R C -1.759 174.822 176.300 0.468 0.000 0.968 458 R CA -0.583 55.756 56.100 0.399 0.000 0.889 458 R CB 1.688 32.255 30.300 0.444 0.000 1.123 458 R HN 0.638 nan 8.270 nan 0.000 0.455 459 W N 6.416 127.899 121.300 0.305 0.000 2.998 459 W HA 0.524 5.184 4.660 0.001 0.000 0.335 459 W C -1.952 174.755 176.519 0.314 0.000 1.110 459 W CA -0.754 56.753 57.345 0.270 0.000 1.230 459 W CB 1.098 30.713 29.460 0.257 0.000 1.405 459 W HN 0.425 nan 8.180 nan 0.000 0.493 460 I N 5.310 125.656 120.570 -0.373 0.000 2.509 460 I HA 0.438 4.608 4.170 0.001 0.000 0.293 460 I C -0.292 175.384 176.117 -0.734 0.000 1.020 460 I CA -0.945 60.078 61.300 -0.462 0.000 1.088 460 I CB 2.068 39.963 38.000 -0.176 0.000 1.267 460 I HN 0.361 nan 8.210 nan 0.000 0.430 461 S N 3.456 118.782 115.700 -0.624 0.000 2.557 461 S HA 0.610 5.081 4.470 0.001 0.000 0.291 461 S C -0.787 173.737 174.600 -0.127 0.000 1.116 461 S CA -0.326 57.651 58.200 -0.373 0.000 0.992 461 S CB 1.580 64.512 63.200 -0.446 0.000 1.028 461 S HN 0.576 nan 8.310 nan 0.000 0.484 462 T N 3.829 118.340 114.554 -0.072 0.000 2.786 462 T HA 0.504 4.854 4.350 0.001 0.000 0.283 462 T C -0.870 173.820 174.700 -0.015 0.000 0.992 462 T CA -0.471 61.581 62.100 -0.081 0.000 0.954 462 T CB 1.220 70.029 68.868 -0.100 0.000 0.934 462 T HN 0.459 nan 8.240 nan 0.000 0.440 463 V N 3.602 123.498 119.914 -0.030 0.000 2.289 463 V HA 0.667 4.788 4.120 0.001 0.000 0.272 463 V C 1.053 177.077 176.094 -0.118 0.000 1.026 463 V CA 0.120 62.396 62.300 -0.040 0.000 0.807 463 V CB -0.040 31.758 31.823 -0.042 0.000 1.044 463 V HN 1.251 nan 8.190 nan 0.000 0.443 464 G N 5.143 113.946 108.800 0.004 0.000 2.652 464 G HA2 -0.257 3.704 3.960 0.001 0.000 0.278 464 G HA3 -0.257 3.704 3.960 0.001 0.000 0.278 464 G C 0.192 175.045 174.900 -0.077 0.000 1.263 464 G CA 0.331 45.491 45.100 0.100 0.000 0.966 464 G HN 0.858 nan 8.290 nan 0.000 0.544 468 Y N 1.158 121.324 120.300 -0.223 0.000 2.387 468 Y HA 0.682 5.233 4.550 0.001 0.000 0.336 468 Y C 0.176 175.847 175.900 -0.383 0.000 1.067 468 Y CA -0.800 57.125 58.100 -0.292 0.000 1.114 468 Y CB 1.367 39.792 38.460 -0.057 0.000 1.208 468 Y HN 0.257 nan 8.280 nan 0.000 0.458 469 I N 3.932 124.248 120.570 -0.424 0.000 2.436 469 I HA 0.384 4.555 4.170 0.001 0.000 0.289 469 I C -1.361 174.488 176.117 -0.447 0.000 1.010 469 I CA -0.644 60.458 61.300 -0.330 0.000 1.098 469 I CB 1.353 39.152 38.000 -0.334 0.000 1.266 469 I HN 0.354 nan 8.210 nan 0.000 0.434 470 F N 3.406 123.460 119.950 0.173 0.000 2.493 470 F HA 0.450 4.978 4.527 0.001 0.000 0.329 470 F C -0.345 175.651 175.800 0.327 0.000 1.126 470 F CA -0.727 57.443 58.000 0.283 0.000 0.937 470 F CB 1.568 40.882 39.000 0.523 0.000 1.146 470 F HN 0.313 nan 8.300 nan 0.000 0.442 471 D N 2.208 122.780 120.400 0.286 0.000 2.375 471 D HA 0.264 4.904 4.640 0.001 0.000 0.247 471 D C -1.402 174.828 176.300 -0.117 0.000 1.061 471 D CA -0.258 53.844 54.000 0.170 0.000 0.834 471 D CB 1.392 42.239 40.800 0.079 0.000 1.247 471 D HN 0.342 nan 8.370 nan 0.000 0.489 472 W N 2.672 123.906 121.300 -0.110 0.000 2.296 472 W HA 0.469 5.129 4.660 0.001 0.000 0.316 472 W C -0.102 176.147 176.519 -0.450 0.000 1.022 472 W CA -0.603 56.547 57.345 -0.325 0.000 1.324 472 W CB 0.561 29.846 29.460 -0.292 0.000 1.227 472 W HN 0.145 nan 8.180 nan 0.000 0.409 473 I N 4.553 124.883 120.570 -0.400 0.000 2.291 473 I HA 0.246 4.416 4.170 0.001 0.000 0.290 473 I C -0.721 175.153 176.117 -0.405 0.000 1.050 473 I CA -0.790 60.311 61.300 -0.330 0.000 1.245 473 I CB 0.221 38.106 38.000 -0.192 0.000 1.405 473 I HN 0.100 nan 8.210 nan 0.000 0.478 474 F N 4.928 124.712 119.950 -0.276 0.000 2.375 474 F HA 0.324 4.851 4.527 0.001 0.000 0.362 474 F C 0.959 176.865 175.800 0.177 0.000 1.129 474 F CA -0.383 57.421 58.000 -0.327 0.000 1.154 474 F CB 0.005 38.516 39.000 -0.814 0.000 1.205 474 F HN 0.407 nan 8.300 nan 0.000 0.513 475 H N 2.149 121.409 119.070 0.316 0.000 2.582 475 H HA 0.035 4.592 4.556 0.001 0.000 0.345 475 H C 1.109 176.921 175.328 0.807 0.000 1.104 475 H CA -0.318 56.000 56.048 0.450 0.000 1.390 475 H CB 1.415 31.341 29.762 0.274 0.000 1.461 475 H HN 0.716 nan 8.280 nan 0.000 0.551 476 E N 2.768 123.418 120.200 0.750 0.000 2.209 476 E HA -0.201 4.150 4.350 0.001 0.000 0.196 476 E C 1.016 177.853 176.600 0.394 0.000 0.993 476 E CA 1.256 57.945 56.400 0.482 0.000 0.819 476 E CB 0.013 29.822 29.700 0.181 0.000 0.745 476 E HN 0.758 nan 8.360 nan 0.000 0.477 477 N N -1.497 117.434 118.700 0.385 0.000 2.434 477 N HA 0.035 4.776 4.740 0.001 0.000 0.196 477 N C 1.123 176.757 175.510 0.207 0.000 1.183 477 N CA 0.435 53.614 53.050 0.215 0.000 0.849 477 N CB 0.771 39.350 38.487 0.153 0.000 0.992 477 N HN 0.224 nan 8.380 nan 0.000 0.460 478 G N -0.075 109.027 108.800 0.503 0.000 2.254 478 G HA2 -0.258 3.703 3.960 0.001 0.000 0.225 478 G HA3 -0.258 3.703 3.960 0.001 0.000 0.225 478 G C 0.223 175.505 174.900 0.637 0.000 1.003 478 G CA 0.138 45.539 45.100 0.500 0.000 0.622 478 G HN 0.400 nan 8.290 nan 0.000 0.507 479 T N 1.469 116.233 114.554 0.351 0.000 2.918 479 T HA 0.562 4.912 4.350 0.001 0.000 0.302 479 T C 0.352 175.027 174.700 -0.041 0.000 1.045 479 T CA 0.548 62.657 62.100 0.015 0.000 1.114 479 T CB 1.202 69.821 68.868 -0.415 0.000 0.965 479 T HN 0.353 nan 8.240 nan 0.000 0.540 480 I N 1.771 122.243 120.570 -0.163 0.000 2.447 480 I HA 0.506 4.677 4.170 0.001 0.000 0.287 480 I C 0.594 176.499 176.117 -0.355 0.000 1.023 480 I CA -0.781 60.327 61.300 -0.321 0.000 1.083 480 I CB 1.953 39.748 38.000 -0.341 0.000 1.245 480 I HN 0.697 nan 8.210 nan 0.000 0.434 481 G N 6.593 115.188 108.800 -0.343 0.000 2.454 481 G HA2 0.861 4.821 3.960 0.001 0.000 0.329 481 G HA3 0.861 4.821 3.960 0.001 0.000 0.329 481 G C -0.915 173.711 174.900 -0.457 0.000 1.177 481 G CA -0.501 44.426 45.100 -0.288 0.000 0.951 481 G HN 0.502 nan 8.290 nan 0.000 0.485 482 I N 1.553 121.819 120.570 -0.506 0.000 2.529 482 I HA 0.248 4.419 4.170 0.001 0.000 0.284 482 I C -1.473 174.334 176.117 -0.517 0.000 1.088 482 I CA -0.785 60.034 61.300 -0.801 0.000 1.062 482 I CB 2.191 39.384 38.000 -1.346 0.000 1.218 482 I HN 0.267 nan 8.210 nan 0.000 0.442 483 D N 5.022 125.237 120.400 -0.309 0.000 2.340 483 D HA 0.756 5.397 4.640 0.001 0.000 0.240 483 D C -0.542 175.729 176.300 -0.050 0.000 1.001 483 D CA -0.408 53.546 54.000 -0.076 0.000 0.888 483 D CB 2.651 43.528 40.800 0.127 0.000 1.310 483 D HN 0.532 nan 8.370 nan 0.000 0.474 484 A N 0.412 123.139 122.820 -0.156 0.000 2.343 484 A HA 0.724 5.045 4.320 0.001 0.000 0.308 484 A C -0.002 177.184 177.584 -0.664 0.000 1.092 484 A CA -0.661 51.005 52.037 -0.617 0.000 0.751 484 A CB 1.520 19.852 19.000 -1.112 0.000 1.203 484 A HN 0.489 nan 8.150 nan 0.000 0.452 485 G N 0.410 108.574 108.800 -1.059 0.000 2.420 485 G HA2 0.735 4.696 3.960 0.001 0.000 0.331 485 G HA3 0.735 4.696 3.960 0.001 0.000 0.331 485 G C -0.471 173.916 174.900 -0.854 0.000 1.168 485 G CA 0.030 44.218 45.100 -1.521 0.000 0.936 485 G HN 1.577 nan 8.290 nan 0.000 0.479 486 A N 1.055 123.465 122.820 -0.684 0.000 2.356 486 A HA 0.898 5.219 4.320 0.001 0.000 0.310 486 A C -0.145 177.163 177.584 -0.459 0.000 1.075 486 A CA -0.372 51.390 52.037 -0.459 0.000 0.746 486 A CB 2.114 20.908 19.000 -0.344 0.000 1.221 486 A HN 1.124 nan 8.150 nan 0.000 0.443 487 T N 0.435 114.716 114.554 -0.455 0.000 2.626 487 T HA 0.841 5.192 4.350 0.001 0.000 0.299 487 T C 0.274 174.746 174.700 -0.379 0.000 1.181 487 T CA 0.972 62.859 62.100 -0.355 0.000 1.053 487 T CB 0.894 69.567 68.868 -0.326 0.000 1.566 487 T HN 2.734 nan 8.240 nan 0.000 0.486 488 G N 0.479 109.065 108.800 -0.356 0.000 2.378 488 G HA2 0.093 4.053 3.960 0.001 0.000 0.198 488 G HA3 0.093 4.053 3.960 0.001 0.000 0.198 488 G C -1.639 173.003 174.900 -0.430 0.000 1.223 488 G CA -0.247 44.593 45.100 -0.432 0.000 1.088 488 G HN 0.850 nan 8.290 nan 0.000 0.530 489 I N 1.308 121.564 120.570 -0.523 0.000 2.474 489 I HA 0.439 4.610 4.170 0.001 0.000 0.294 489 I C 0.606 176.544 176.117 -0.298 0.000 1.005 489 I CA -0.776 60.246 61.300 -0.463 0.000 1.113 489 I CB 1.235 38.817 38.000 -0.697 0.000 1.289 489 I HN 0.644 nan 8.210 nan 0.000 0.436 490 E N 3.050 123.275 120.200 0.042 0.000 2.383 490 E HA 0.390 4.741 4.350 0.001 0.000 0.264 490 E C -0.176 176.531 176.600 0.179 0.000 1.050 490 E CA -0.429 56.058 56.400 0.145 0.000 0.896 490 E CB 1.320 31.176 29.700 0.260 0.000 0.982 490 E HN 0.698 nan 8.360 nan 0.000 0.424 491 A N 3.096 126.023 122.820 0.177 0.000 2.350 491 A HA 0.313 4.634 4.320 0.001 0.000 0.293 491 A C 0.104 177.963 177.584 0.458 0.000 1.231 491 A CA -0.563 51.672 52.037 0.329 0.000 0.883 491 A CB -0.306 18.859 19.000 0.275 0.000 1.133 491 A HN 0.374 nan 8.150 nan 0.000 0.533 492 V N 0.571 120.755 119.914 0.449 0.000 3.096 492 V HA 0.702 4.823 4.120 0.001 0.000 0.319 492 V C -0.084 176.305 176.094 0.491 0.000 1.082 492 V CA -1.072 61.396 62.300 0.280 0.000 1.022 492 V CB 1.548 33.326 31.823 -0.075 0.000 1.103 492 V HN 0.809 nan 8.190 nan 0.000 0.455 493 K N 1.122 121.655 120.400 0.222 0.000 2.292 493 K HA 0.654 4.975 4.320 0.001 0.000 0.257 493 K C 0.057 176.739 176.600 0.137 0.000 0.940 493 K CA -0.321 56.136 56.287 0.283 0.000 0.811 493 K CB 1.599 34.043 32.500 -0.093 0.000 1.120 493 K HN 1.194 nan 8.250 nan 0.000 0.428 494 G N 2.492 111.398 108.800 0.178 0.000 2.380 494 G HA2 0.436 4.396 3.960 0.001 0.000 0.262 494 G HA3 0.436 4.396 3.960 0.001 0.000 0.262 494 G C -0.454 174.492 174.900 0.077 0.000 1.243 494 G CA -0.394 44.775 45.100 0.116 0.000 0.865 494 G HN 0.474 nan 8.290 nan 0.000 0.513 495 V N 0.176 120.119 119.914 0.048 0.000 3.141 495 V HA 0.595 4.715 4.120 0.001 0.000 0.312 495 V C 0.769 176.884 176.094 0.035 0.000 1.157 495 V CA -1.150 61.169 62.300 0.031 0.000 1.041 495 V CB 2.077 33.901 31.823 0.001 0.000 1.071 495 V HN 0.643 nan 8.190 nan 0.000 0.441 496 K N 0.987 121.402 120.400 0.026 0.000 2.243 496 K HA 0.383 4.704 4.320 0.001 0.000 0.201 496 K C 1.038 177.651 176.600 0.023 0.000 1.051 496 K CA 1.075 57.377 56.287 0.025 0.000 0.970 496 K CB 0.063 32.574 32.500 0.018 0.000 0.755 496 K HN 0.939 nan 8.250 nan 0.000 0.465 497 A N 1.722 124.553 122.820 0.018 0.000 2.477 497 A HA 0.041 4.362 4.320 0.001 0.000 0.246 497 A C 0.544 178.155 177.584 0.045 0.000 1.078 497 A CA 0.142 52.193 52.037 0.023 0.000 0.770 497 A CB 0.409 19.417 19.000 0.013 0.000 1.011 497 A HN 0.167 nan 8.150 nan 0.000 0.494 498 K N 0.075 120.502 120.400 0.045 0.000 2.276 498 K HA 0.084 4.404 4.320 0.001 0.000 0.198 498 K C 0.611 177.323 176.600 0.186 0.000 1.052 498 K CA 1.314 57.644 56.287 0.071 0.000 0.984 498 K CB 0.303 32.735 32.500 -0.114 0.000 0.836 498 K HN 0.916 nan 8.250 nan 0.000 0.490 499 T N -3.137 111.494 114.554 0.128 0.000 2.812 499 T HA 0.264 4.614 4.350 0.001 0.000 0.294 499 T C 0.613 175.383 174.700 0.116 0.000 1.159 499 T CA -0.842 61.361 62.100 0.172 0.000 1.008 499 T CB 1.226 70.234 68.868 0.233 0.000 1.289 499 T HN -0.280 nan 8.240 nan 0.000 0.514 500 M N 0.410 120.060 119.600 0.084 0.000 2.630 500 M HA 0.056 4.536 4.480 0.001 0.000 0.254 500 M C 1.076 177.285 176.300 -0.153 0.000 1.092 500 M CA 1.112 56.374 55.300 -0.064 0.000 1.087 500 M CB -1.656 30.860 32.600 -0.139 0.000 1.453 500 M HN 0.722 nan 8.290 nan 0.000 0.509 501 H N -0.622 118.450 119.070 0.004 0.000 2.551 501 H HA 0.118 4.674 4.556 0.001 0.000 0.266 501 H C 0.055 175.380 175.328 -0.005 0.000 0.964 501 H CA -0.000 56.047 56.048 -0.001 0.000 1.180 501 H CB 0.090 29.854 29.762 0.003 0.000 1.408 501 H HN 0.212 nan 8.280 nan 0.000 0.563 502 D N 0.969 121.423 120.400 0.090 0.000 2.382 502 D HA -0.024 4.617 4.640 0.001 0.000 0.245 502 D C 1.011 177.320 176.300 0.015 0.000 1.120 502 D CA 0.030 54.058 54.000 0.046 0.000 0.890 502 D CB 0.963 41.783 40.800 0.033 0.000 1.201 502 D HN 0.374 nan 8.370 nan 0.000 0.433 503 E N 0.288 120.495 120.200 0.011 0.000 2.169 503 E HA -0.232 4.119 4.350 0.001 0.000 0.202 503 E C 1.517 178.110 176.600 -0.012 0.000 1.016 503 E CA 1.769 58.168 56.400 -0.001 0.000 0.817 503 E CB -0.065 29.635 29.700 0.000 0.000 0.736 503 E HN 0.567 nan 8.360 nan 0.000 0.462 504 T N -2.170 112.379 114.554 -0.010 0.000 3.107 504 T HA 0.371 4.722 4.350 0.001 0.000 0.249 504 T C 1.815 176.496 174.700 -0.031 0.000 1.096 504 T CA 0.346 62.435 62.100 -0.018 0.000 1.012 504 T CB 0.329 69.191 68.868 -0.009 0.000 0.977 504 T HN 0.180 nan 8.240 nan 0.000 0.527 505 A N 3.004 125.806 122.820 -0.030 0.000 1.869 505 A HA -0.207 4.114 4.320 0.001 0.000 0.218 505 A C 2.388 179.930 177.584 -0.071 0.000 1.203 505 A CA 1.958 53.968 52.037 -0.045 0.000 0.638 505 A CB -0.823 18.149 19.000 -0.046 0.000 0.831 505 A HN 0.385 nan 8.150 nan 0.000 0.450 506 K N -0.162 120.193 120.400 -0.074 0.000 2.020 506 K HA -0.217 4.104 4.320 0.001 0.000 0.212 506 K C 1.510 178.040 176.600 -0.116 0.000 1.050 506 K CA 2.253 58.484 56.287 -0.093 0.000 0.929 506 K CB -0.640 31.812 32.500 -0.079 0.000 0.714 506 K HN 0.553 nan 8.250 nan 0.000 0.443 507 D N 0.698 121.040 120.400 -0.098 0.000 2.183 507 D HA -0.109 4.531 4.640 0.001 0.000 0.203 507 D C 1.473 177.699 176.300 -0.124 0.000 0.969 507 D CA 0.764 54.695 54.000 -0.114 0.000 0.842 507 D CB -0.117 40.643 40.800 -0.066 0.000 0.957 507 D HN 0.278 nan 8.370 nan 0.000 0.484 508 D N 0.223 120.570 120.400 -0.089 0.000 2.219 508 D HA -0.083 4.558 4.640 0.001 0.000 0.205 508 D C 1.744 177.974 176.300 -0.117 0.000 0.970 508 D CA 1.065 55.018 54.000 -0.078 0.000 0.851 508 D CB -0.081 40.689 40.800 -0.050 0.000 0.943 508 D HN 0.297 nan 8.370 nan 0.000 0.488 509 T N -2.290 112.180 114.554 -0.140 0.000 3.186 509 T HA 0.187 4.538 4.350 0.001 0.000 0.257 509 T C 1.436 176.001 174.700 -0.225 0.000 1.029 509 T CA -0.472 61.535 62.100 -0.155 0.000 0.916 509 T CB 0.552 69.348 68.868 -0.120 0.000 1.041 509 T HN -0.039 nan 8.240 nan 0.000 0.562 510 R N 0.162 120.447 120.500 -0.359 0.000 2.148 510 R HA -0.013 4.327 4.340 0.001 0.000 0.227 510 R C 0.348 176.252 176.300 -0.660 0.000 1.103 510 R CA 1.176 56.930 56.100 -0.575 0.000 0.983 510 R CB -0.028 29.762 30.300 -0.851 0.000 0.874 510 R HN 0.530 nan 8.270 nan 0.000 0.451 511 Y N -1.393 118.831 120.300 -0.127 0.000 2.660 511 Y HA 0.488 5.039 4.550 0.001 0.000 0.254 511 Y C 0.412 176.208 175.900 -0.173 0.000 1.176 511 Y CA -0.026 57.986 58.100 -0.147 0.000 1.195 511 Y CB 1.516 39.873 38.460 -0.173 0.000 1.190 511 Y HN 0.119 nan 8.280 nan 0.000 0.535 512 G N -0.916 107.833 108.800 -0.086 0.000 2.355 512 G HA2 0.329 4.290 3.960 0.001 0.000 0.296 512 G HA3 0.329 4.290 3.960 0.001 0.000 0.296 512 G C -1.149 173.683 174.900 -0.115 0.000 1.507 512 G CA -0.966 44.070 45.100 -0.107 0.000 0.823 512 G HN -0.179 nan 8.290 nan 0.000 0.569 513 T N 0.537 115.029 114.554 -0.104 0.000 2.910 513 T HA 0.401 4.752 4.350 0.001 0.000 0.293 513 T C 0.215 174.853 174.700 -0.103 0.000 1.015 513 T CA -0.118 61.929 62.100 -0.088 0.000 1.094 513 T CB 1.459 70.291 68.868 -0.059 0.000 0.968 513 T HN 0.645 nan 8.240 nan 0.000 0.521 514 L N 4.909 126.080 121.223 -0.085 0.000 2.312 514 L HA 0.355 4.696 4.340 0.001 0.000 0.287 514 L C 0.894 177.708 176.870 -0.092 0.000 1.091 514 L CA -0.035 54.751 54.840 -0.090 0.000 0.846 514 L CB -0.445 41.584 42.059 -0.049 0.000 1.219 514 L HN 0.717 nan 8.230 nan 0.000 0.439 515 I N -0.075 120.399 120.570 -0.160 0.000 3.728 515 I HA 0.398 4.569 4.170 0.001 0.000 0.307 515 I C -0.053 175.956 176.117 -0.181 0.000 1.276 515 I CA 0.136 61.346 61.300 -0.149 0.000 1.285 515 I CB 0.050 37.948 38.000 -0.170 0.000 1.038 515 I HN 0.466 nan 8.210 nan 0.000 0.445 516 D N -0.114 120.154 120.400 -0.219 0.000 2.710 516 D HA 0.238 4.879 4.640 0.001 0.000 0.276 516 D C -1.045 175.216 176.300 -0.065 0.000 1.267 516 D CA -0.553 53.345 54.000 -0.170 0.000 0.772 516 D CB 1.221 41.911 40.800 -0.183 0.000 1.299 516 D HN 0.185 nan 8.370 nan 0.000 0.421 517 H N 1.286 120.375 119.070 0.033 0.000 3.107 517 H HA 0.105 4.662 4.556 0.001 0.000 0.301 517 H C 0.488 175.831 175.328 0.025 0.000 0.981 517 H CA 0.853 56.923 56.048 0.037 0.000 1.443 517 H CB -0.079 29.723 29.762 0.067 0.000 1.479 517 H HN 0.379 nan 8.280 nan 0.000 0.564 518 N N 1.023 119.803 118.700 0.133 0.000 2.778 518 N HA -0.203 4.538 4.740 0.001 0.000 0.249 518 N C -1.090 174.435 175.510 0.025 0.000 1.069 518 N CA 0.896 53.991 53.050 0.075 0.000 0.831 518 N CB -0.784 37.763 38.487 0.101 0.000 1.142 518 N HN 0.464 nan 8.380 nan 0.000 0.573 519 I N 0.529 121.071 120.570 -0.048 0.000 2.466 519 I HA 0.426 4.597 4.170 0.001 0.000 0.289 519 I C -0.416 175.561 176.117 -0.233 0.000 1.026 519 I CA -0.965 60.229 61.300 -0.175 0.000 1.078 519 I CB 1.904 39.688 38.000 -0.360 0.000 1.249 519 I HN -0.256 nan 8.210 nan 0.000 0.429 520 V N 4.446 124.241 119.914 -0.198 0.000 2.555 520 V HA 0.514 4.635 4.120 0.001 0.000 0.302 520 V C 0.529 176.494 176.094 -0.215 0.000 1.038 520 V CA -0.562 61.621 62.300 -0.195 0.000 0.887 520 V CB 1.950 33.679 31.823 -0.155 0.000 0.991 520 V HN 0.885 nan 8.190 nan 0.000 0.434 521 G N 2.269 110.950 108.800 -0.199 0.000 2.663 521 G HA2 0.341 4.302 3.960 0.001 0.000 0.320 521 G HA3 0.341 4.302 3.960 0.001 0.000 0.320 521 G C 0.266 175.088 174.900 -0.129 0.000 0.937 521 G CA -0.187 44.823 45.100 -0.149 0.000 1.332 521 G HN 0.658 nan 8.290 nan 0.000 0.461 522 T N 2.443 116.903 114.554 -0.157 0.000 2.822 522 T HA 0.055 4.406 4.350 0.001 0.000 0.288 522 T C 1.155 175.884 174.700 0.048 0.000 0.991 522 T CA 0.476 62.476 62.100 -0.167 0.000 1.176 522 T CB 0.343 68.923 68.868 -0.480 0.000 0.951 522 T HN 0.415 nan 8.240 nan 0.000 0.526 523 T N 5.548 120.086 114.554 -0.026 0.000 2.940 523 T HA 0.229 4.580 4.350 0.001 0.000 0.309 523 T C 0.337 174.987 174.700 -0.084 0.000 1.056 523 T CA -0.102 61.948 62.100 -0.083 0.000 1.137 523 T CB 0.020 68.821 68.868 -0.112 0.000 0.976 523 T HN 0.873 nan 8.240 nan 0.000 0.547 524 H N -0.058 118.761 119.070 -0.419 0.000 2.883 524 H HA 0.486 5.043 4.556 0.001 0.000 0.277 524 H C -1.441 173.614 175.328 -0.455 0.000 1.451 524 H CA -1.120 54.564 56.048 -0.606 0.000 1.157 524 H CB 0.967 29.934 29.762 -1.323 0.000 1.851 524 H HN 0.577 nan 8.280 nan 0.000 0.566 525 Q N 0.013 119.516 119.800 -0.496 0.000 2.484 525 Q HA 0.410 4.751 4.340 0.001 0.000 0.285 525 Q C -1.137 174.597 176.000 -0.443 0.000 1.097 525 Q CA -1.007 54.545 55.803 -0.418 0.000 0.802 525 Q CB 2.981 31.576 28.738 -0.238 0.000 1.444 525 Q HN 0.510 nan 8.270 nan 0.000 0.429 526 H N 1.129 120.131 119.070 -0.113 0.000 2.708 526 H HA 0.468 5.024 4.556 0.001 0.000 0.320 526 H C -0.913 174.201 175.328 -0.357 0.000 0.991 526 H CA -0.306 55.616 56.048 -0.211 0.000 1.243 526 H CB 0.895 30.603 29.762 -0.090 0.000 1.446 526 H HN 0.460 nan 8.280 nan 0.000 0.502 527 I N 4.846 125.226 120.570 -0.316 0.000 2.411 527 I HA 0.182 4.353 4.170 0.001 0.000 0.284 527 I C -0.777 175.197 176.117 -0.238 0.000 1.012 527 I CA -0.715 60.468 61.300 -0.195 0.000 1.119 527 I CB 0.751 38.699 38.000 -0.086 0.000 1.261 527 I HN 0.343 nan 8.210 nan 0.000 0.448 528 Y N 4.310 124.668 120.300 0.097 0.000 2.387 528 Y HA 0.475 5.026 4.550 0.001 0.000 0.330 528 Y C 0.153 175.995 175.900 -0.096 0.000 1.133 528 Y CA -0.897 57.183 58.100 -0.033 0.000 1.152 528 Y CB 1.133 39.544 38.460 -0.082 0.000 1.215 528 Y HN 0.500 nan 8.280 nan 0.000 0.466 529 N N 1.069 119.695 118.700 -0.122 0.000 2.295 529 N HA 0.549 5.289 4.740 0.001 0.000 0.293 529 N C -2.184 173.131 175.510 -0.325 0.000 1.040 529 N CA -0.502 52.516 53.050 -0.053 0.000 0.840 529 N CB 0.954 39.532 38.487 0.152 0.000 1.468 529 N HN 0.376 nan 8.380 nan 0.000 0.478 530 F N 1.306 121.397 119.950 0.235 0.000 2.467 530 F HA 0.455 4.982 4.527 0.001 0.000 0.336 530 F C 0.602 176.424 175.800 0.036 0.000 1.123 530 F CA -0.827 57.258 58.000 0.142 0.000 0.964 530 F CB 1.596 40.642 39.000 0.076 0.000 1.136 530 F HN 0.292 nan 8.300 nan 0.000 0.447 531 R N 4.740 125.262 120.500 0.037 0.000 2.205 531 R HA 0.536 4.877 4.340 0.001 0.000 0.342 531 R C -1.600 174.535 176.300 -0.275 0.000 1.058 531 R CA -0.267 55.547 56.100 -0.477 0.000 0.904 531 R CB 0.165 30.038 30.300 -0.711 0.000 1.089 531 R HN 0.776 nan 8.270 nan 0.000 0.471 532 L N 4.596 125.653 121.223 -0.277 0.000 2.337 532 L HA 0.246 4.586 4.340 0.001 0.000 0.269 532 L C -0.396 176.384 176.870 -0.150 0.000 1.018 532 L CA -0.777 53.988 54.840 -0.125 0.000 0.876 532 L CB 1.508 43.548 42.059 -0.032 0.000 1.236 532 L HN 0.539 nan 8.230 nan 0.000 0.436 533 D N 4.581 124.908 120.400 -0.121 0.000 2.551 533 D HA 0.220 4.861 4.640 0.001 0.000 0.223 533 D C -0.157 176.157 176.300 0.024 0.000 1.144 533 D CA -0.039 53.938 54.000 -0.039 0.000 1.025 533 D CB 0.205 41.021 40.800 0.027 0.000 1.085 533 D HN 0.306 nan 8.370 nan 0.000 0.506 534 L N 2.236 123.462 121.223 0.004 0.000 2.349 534 L HA 0.295 4.636 4.340 0.001 0.000 0.275 534 L C 0.189 177.088 176.870 0.048 0.000 1.115 534 L CA -0.215 54.629 54.840 0.007 0.000 0.820 534 L CB 0.909 42.936 42.059 -0.053 0.000 1.135 534 L HN 0.139 nan 8.230 nan 0.000 0.445 535 D N 2.730 123.183 120.400 0.088 0.000 2.412 535 D HA 0.154 4.794 4.640 0.001 0.000 0.276 535 D C -0.404 175.930 176.300 0.056 0.000 1.196 535 D CA -0.251 53.800 54.000 0.085 0.000 0.905 535 D CB 1.675 42.569 40.800 0.157 0.000 1.081 535 D HN 0.055 nan 8.370 nan 0.000 0.502 536 V N 2.511 122.459 119.914 0.058 0.000 2.416 536 V HA -0.054 4.067 4.120 0.001 0.000 0.260 536 V C 1.009 177.223 176.094 0.199 0.000 1.018 536 V CA 0.269 62.659 62.300 0.150 0.000 1.120 536 V CB -0.228 31.718 31.823 0.204 0.000 1.081 536 V HN 0.549 nan 8.190 nan 0.000 0.474 537 D N 3.384 123.918 120.400 0.224 0.000 2.911 537 D HA -0.130 4.511 4.640 0.001 0.000 0.227 537 D C 0.331 176.603 176.300 -0.046 0.000 1.164 537 D CA 1.763 55.809 54.000 0.077 0.000 0.782 537 D CB -1.011 39.770 40.800 -0.032 0.000 1.094 537 D HN 1.238 nan 8.370 nan 0.000 0.425 538 G N -1.563 107.194 108.800 -0.072 0.000 2.345 538 G HA2 0.199 4.159 3.960 0.001 0.000 0.310 538 G HA3 0.199 4.159 3.960 0.001 0.000 0.310 538 G C 0.152 175.010 174.900 -0.069 0.000 1.476 538 G CA 0.094 45.126 45.100 -0.114 0.000 0.978 538 G HN 0.006 nan 8.290 nan 0.000 0.656 539 E N -0.049 120.104 120.200 -0.077 0.000 2.112 539 E HA 0.019 4.370 4.350 0.001 0.000 0.190 539 E C 1.000 177.592 176.600 -0.015 0.000 0.979 539 E CA 0.559 56.934 56.400 -0.041 0.000 0.814 539 E CB 0.082 29.746 29.700 -0.060 0.000 0.762 539 E HN 0.388 nan 8.360 nan 0.000 0.460 540 N N 2.373 121.065 118.700 -0.014 0.000 2.415 540 N HA 0.086 4.827 4.740 0.001 0.000 0.250 540 N C -0.661 174.857 175.510 0.014 0.000 1.127 540 N CA 0.155 53.207 53.050 0.004 0.000 0.945 540 N CB 0.434 38.922 38.487 0.001 0.000 1.196 540 N HN 0.107 nan 8.380 nan 0.000 0.499 541 N N 0.123 118.839 118.700 0.026 0.000 2.701 541 N HA 0.455 5.196 4.740 0.001 0.000 0.290 541 N C -0.725 174.807 175.510 0.037 0.000 1.338 541 N CA -0.438 52.634 53.050 0.036 0.000 0.799 541 N CB 1.466 39.980 38.487 0.046 0.000 1.491 541 N HN 0.169 nan 8.380 nan 0.000 0.540 542 S N 0.217 115.939 115.700 0.036 0.000 2.546 542 S HA 0.439 4.910 4.470 0.001 0.000 0.274 542 S C -1.224 173.390 174.600 0.024 0.000 1.121 542 S CA -0.572 57.647 58.200 0.032 0.000 0.887 542 S CB 1.953 65.168 63.200 0.025 0.000 1.094 542 S HN 0.416 nan 8.310 nan 0.000 0.474 543 L N 3.481 124.717 121.223 0.022 0.000 2.265 543 L HA 0.663 5.004 4.340 0.001 0.000 0.288 543 L C -1.112 175.733 176.870 -0.042 0.000 1.058 543 L CA -0.023 54.819 54.840 0.003 0.000 0.809 543 L CB 0.621 42.696 42.059 0.026 0.000 1.179 543 L HN 0.456 nan 8.230 nan 0.000 0.429 544 V N 4.652 124.513 119.914 -0.089 0.000 2.628 544 V HA 0.860 4.981 4.120 0.001 0.000 0.306 544 V C 0.070 176.010 176.094 -0.256 0.000 1.045 544 V CA -0.536 61.667 62.300 -0.161 0.000 0.905 544 V CB 1.487 33.227 31.823 -0.139 0.000 0.997 544 V HN 0.944 nan 8.190 nan 0.000 0.436 545 A N 5.379 127.938 122.820 -0.435 0.000 2.337 545 A HA 0.937 5.257 4.320 0.001 0.000 0.329 545 A C -0.577 176.716 177.584 -0.486 0.000 1.146 545 A CA -0.610 51.105 52.037 -0.538 0.000 0.800 545 A CB 1.146 19.589 19.000 -0.928 0.000 1.220 545 A HN 0.823 nan 8.150 nan 0.000 0.472 546 M N 2.964 122.382 119.600 -0.303 0.000 2.007 546 M HA 0.233 4.713 4.480 0.001 0.000 0.285 546 M C -1.602 174.646 176.300 -0.087 0.000 0.893 546 M CA -0.462 54.731 55.300 -0.178 0.000 0.925 546 M CB 1.579 34.060 32.600 -0.199 0.000 1.568 546 M HN 0.579 nan 8.290 nan 0.000 0.414 547 D N 4.926 125.326 120.400 0.001 0.000 2.359 547 D HA 0.345 4.986 4.640 0.001 0.000 0.230 547 D C -2.461 173.863 176.300 0.039 0.000 1.118 547 D CA -1.316 52.706 54.000 0.037 0.000 0.844 547 D CB 1.187 42.052 40.800 0.109 0.000 1.059 547 D HN 0.132 nan 8.370 nan 0.000 0.493 548 P HA 0.013 nan 4.420 nan 0.000 0.267 548 P C -0.424 176.893 177.300 0.029 0.000 1.205 548 P CA -0.181 62.939 63.100 0.032 0.000 0.765 548 P CB 0.836 32.554 31.700 0.030 0.000 0.828 549 V N 1.128 121.061 119.914 0.031 0.000 3.114 549 V HA 0.558 4.679 4.120 0.001 0.000 0.308 549 V C -0.733 175.374 176.094 0.021 0.000 1.168 549 V CA -1.078 61.237 62.300 0.025 0.000 1.015 549 V CB 2.249 34.089 31.823 0.027 0.000 1.050 549 V HN 0.074 nan 8.190 nan 0.000 0.433 550 V N 2.958 122.882 119.914 0.016 0.000 2.333 550 V HA 0.509 4.630 4.120 0.001 0.000 0.274 550 V C 0.231 176.332 176.094 0.012 0.000 1.028 550 V CA -0.340 61.968 62.300 0.014 0.000 0.851 550 V CB 0.780 32.609 31.823 0.011 0.000 1.000 550 V HN 0.930 nan 8.190 nan 0.000 0.456 551 K N 5.134 125.542 120.400 0.013 0.000 2.267 551 K HA 0.536 4.857 4.320 0.001 0.000 0.246 551 K C -2.766 173.839 176.600 0.009 0.000 0.954 551 K CA -2.060 54.233 56.287 0.011 0.000 0.824 551 K CB 2.276 34.784 32.500 0.013 0.000 1.167 551 K HN 0.285 nan 8.250 nan 0.000 0.431 552 P HA -0.085 nan 4.420 nan 0.000 0.265 552 P C -0.715 176.589 177.300 0.007 0.000 1.193 552 P CA 0.151 63.255 63.100 0.006 0.000 0.765 552 P CB 0.315 32.018 31.700 0.004 0.000 0.823 553 N N 1.771 120.475 118.700 0.006 0.000 2.475 553 N HA 0.072 4.813 4.740 0.001 0.000 0.267 553 N C 0.119 175.632 175.510 0.005 0.000 1.169 553 N CA 0.005 53.059 53.050 0.006 0.000 0.947 553 N CB 0.275 38.765 38.487 0.006 0.000 1.061 553 N HN 0.387 nan 8.380 nan 0.000 0.466 554 T N 0.246 114.803 114.554 0.006 0.000 3.339 554 T HA 0.388 4.738 4.350 0.001 0.000 0.292 554 T C 0.388 175.091 174.700 0.005 0.000 1.012 554 T CA -0.471 61.632 62.100 0.005 0.000 0.937 554 T CB 0.542 69.414 68.868 0.005 0.000 1.164 554 T HN 0.413 nan 8.240 nan 0.000 0.509 555 A N 0.467 123.290 122.820 0.005 0.000 2.571 555 A HA 0.823 5.144 4.320 0.001 0.000 0.274 555 A C 1.234 178.820 177.584 0.004 0.000 1.196 555 A CA 0.036 52.075 52.037 0.005 0.000 0.957 555 A CB -0.286 18.717 19.000 0.005 0.000 1.150 555 A HN 1.520 nan 8.150 nan 0.000 0.539 556 G N -1.385 107.417 108.800 0.004 0.000 2.796 556 G HA2 0.499 4.460 3.960 0.001 0.000 0.571 556 G HA3 0.499 4.460 3.960 0.001 0.000 0.571 556 G C 0.802 175.704 174.900 0.003 0.000 1.370 556 G CA -0.001 45.100 45.100 0.003 0.000 0.856 556 G HN 2.542 nan 8.290 nan 0.000 0.538 557 G N -1.448 107.353 108.800 0.003 0.000 2.712 557 G HA2 0.287 4.248 3.960 0.001 0.000 0.683 557 G HA3 0.287 4.248 3.960 0.001 0.000 0.683 557 G C -0.844 174.058 174.900 0.003 0.000 1.320 557 G CA 0.456 45.557 45.100 0.003 0.000 0.847 557 G HN 1.329 nan 8.290 nan 0.000 0.553 558 P HA 0.027 nan 4.420 nan 0.000 0.217 558 P C 1.037 178.339 177.300 0.003 0.000 1.150 558 P CA 0.590 63.692 63.100 0.003 0.000 0.832 558 P CB 0.088 31.789 31.700 0.003 0.000 0.787 559 R N 0.249 120.751 120.500 0.004 0.000 2.585 559 R HA 0.024 4.364 4.340 0.001 0.000 0.275 559 R C 1.455 177.758 176.300 0.004 0.000 1.018 559 R CA 1.031 57.133 56.100 0.004 0.000 1.072 559 R CB -0.211 30.092 30.300 0.005 0.000 0.953 559 R HN 0.263 nan 8.270 nan 0.000 0.419 560 T N -2.220 112.337 114.554 0.004 0.000 3.044 560 T HA 0.012 4.362 4.350 0.001 0.000 0.255 560 T C 0.922 175.625 174.700 0.005 0.000 1.073 560 T CA 0.425 62.527 62.100 0.004 0.000 1.125 560 T CB 0.209 69.079 68.868 0.004 0.000 0.908 560 T HN 0.545 nan 8.240 nan 0.000 0.480 561 S N 0.776 116.479 115.700 0.006 0.000 2.704 561 S HA 0.765 5.236 4.470 0.001 0.000 0.296 561 S C -0.531 174.074 174.600 0.008 0.000 1.138 561 S CA -0.414 57.790 58.200 0.007 0.000 0.875 561 S CB 1.987 65.191 63.200 0.007 0.000 1.151 561 S HN 0.738 nan 8.310 nan 0.000 0.500 562 T N -2.030 112.530 114.554 0.010 0.000 2.841 562 T HA 0.658 5.009 4.350 0.001 0.000 0.296 562 T C -0.956 173.753 174.700 0.015 0.000 1.166 562 T CA -0.961 61.147 62.100 0.012 0.000 1.007 562 T CB 1.173 70.049 68.868 0.012 0.000 1.253 562 T HN 0.651 nan 8.240 nan 0.000 0.511 563 M N 2.150 121.761 119.600 0.018 0.000 2.066 563 M HA 0.428 4.909 4.480 0.001 0.000 0.340 563 M C -0.275 176.041 176.300 0.027 0.000 1.053 563 M CA -0.464 54.849 55.300 0.022 0.000 0.983 563 M CB 1.400 34.014 32.600 0.023 0.000 1.520 563 M HN 0.626 nan 8.290 nan 0.000 0.428 564 Q N 1.452 121.270 119.800 0.030 0.000 2.633 564 Q HA 0.829 5.170 4.340 0.001 0.000 0.292 564 Q C -1.223 174.803 176.000 0.043 0.000 1.089 564 Q CA -1.167 54.657 55.803 0.036 0.000 0.811 564 Q CB 3.129 31.886 28.738 0.031 0.000 1.472 564 Q HN 0.467 nan 8.270 nan 0.000 0.464 565 V N 1.459 121.403 119.914 0.050 0.000 2.638 565 V HA 0.321 4.442 4.120 0.001 0.000 0.306 565 V C -0.994 175.140 176.094 0.067 0.000 1.052 565 V CA -0.992 61.341 62.300 0.056 0.000 0.885 565 V CB 1.968 33.826 31.823 0.059 0.000 0.999 565 V HN 0.635 nan 8.190 nan 0.000 0.424 566 N N 4.045 122.798 118.700 0.089 0.000 2.437 566 N HA 0.240 4.981 4.740 0.001 0.000 0.243 566 N C -0.507 175.120 175.510 0.196 0.000 1.041 566 N CA -0.047 53.090 53.050 0.145 0.000 0.940 566 N CB 1.709 40.294 38.487 0.164 0.000 1.133 566 N HN 0.760 nan 8.380 nan 0.000 0.506 567 Q N 3.140 123.033 119.800 0.155 0.000 2.293 567 Q HA 0.374 4.715 4.340 0.001 0.000 0.261 567 Q C -1.524 174.586 176.000 0.184 0.000 0.960 567 Q CA -0.720 55.127 55.803 0.072 0.000 0.882 567 Q CB 0.784 29.536 28.738 0.023 0.000 1.275 567 Q HN 0.574 nan 8.270 nan 0.000 0.445 568 Y N 0.355 120.651 120.300 -0.007 0.000 2.592 568 Y HA 0.521 5.072 4.550 0.001 0.000 0.334 568 Y C -1.576 174.323 175.900 -0.001 0.000 1.136 568 Y CA -1.504 56.595 58.100 -0.001 0.000 1.042 568 Y CB 0.712 39.172 38.460 0.000 0.000 1.325 568 Y HN 0.513 nan 8.280 nan 0.000 0.457 569 N N 1.224 119.990 118.700 0.110 0.000 2.515 569 N HA 0.556 5.297 4.740 0.001 0.000 0.279 569 N C -1.162 174.414 175.510 0.109 0.000 1.164 569 N CA -0.524 52.551 53.050 0.042 0.000 0.982 569 N CB 1.247 39.763 38.487 0.049 0.000 1.170 569 N HN 0.694 nan 8.380 nan 0.000 0.474 570 I N 0.955 121.559 120.570 0.056 0.000 2.388 570 I HA 0.255 4.426 4.170 0.001 0.000 0.281 570 I C 1.242 177.401 176.117 0.070 0.000 1.046 570 I CA -0.400 60.951 61.300 0.086 0.000 1.187 570 I CB 1.124 39.159 38.000 0.058 0.000 1.351 570 I HN 0.722 nan 8.210 nan 0.000 0.472 571 G N 5.562 114.407 108.800 0.075 0.000 2.598 571 G HA2 -0.072 3.889 3.960 0.001 0.000 0.215 571 G HA3 -0.072 3.889 3.960 0.001 0.000 0.215 571 G C 0.490 175.429 174.900 0.066 0.000 1.131 571 G CA 0.148 45.286 45.100 0.064 0.000 0.785 571 G HN 0.657 nan 8.290 nan 0.000 0.539 572 N N -0.837 117.905 118.700 0.069 0.000 2.357 572 N HA 0.179 4.919 4.740 0.001 0.000 0.284 572 N C 0.200 175.760 175.510 0.083 0.000 1.236 572 N CA -0.608 52.486 53.050 0.074 0.000 0.774 572 N CB 1.372 39.898 38.487 0.066 0.000 1.534 572 N HN 0.031 nan 8.380 nan 0.000 0.478 573 E N 0.188 120.448 120.200 0.100 0.000 2.085 573 E HA -0.278 4.073 4.350 0.001 0.000 0.194 573 E C 1.141 177.799 176.600 0.096 0.000 0.994 573 E CA 1.564 58.039 56.400 0.125 0.000 0.801 573 E CB 0.007 29.801 29.700 0.155 0.000 0.743 573 E HN 0.568 nan 8.360 nan 0.000 0.453 574 Q N 0.997 120.842 119.800 0.075 0.000 2.096 574 Q HA -0.179 4.162 4.340 0.001 0.000 0.204 574 Q C 1.455 177.455 176.000 -0.000 0.000 0.982 574 Q CA 1.663 57.490 55.803 0.040 0.000 0.850 574 Q CB 0.058 28.821 28.738 0.042 0.000 0.901 574 Q HN 0.239 nan 8.270 nan 0.000 0.422 575 D N -1.222 119.191 120.400 0.021 0.000 2.289 575 D HA 0.011 4.652 4.640 0.001 0.000 0.207 575 D C 1.219 177.525 176.300 0.009 0.000 0.966 575 D CA 0.935 54.945 54.000 0.017 0.000 0.868 575 D CB 0.072 40.901 40.800 0.049 0.000 0.943 575 D HN 0.353 nan 8.370 nan 0.000 0.514 576 A N 0.872 123.704 122.820 0.021 0.000 2.067 576 A HA 0.240 4.560 4.320 0.001 0.000 0.217 576 A C 1.451 179.002 177.584 -0.056 0.000 1.156 576 A CA 0.504 52.559 52.037 0.029 0.000 0.683 576 A CB -0.034 19.020 19.000 0.090 0.000 0.808 576 A HN 0.147 nan 8.150 nan 0.000 0.455 577 A N 1.042 123.755 122.820 -0.178 0.000 2.437 577 A HA 0.521 4.842 4.320 0.001 0.000 0.303 577 A C 0.167 177.459 177.584 -0.485 0.000 1.324 577 A CA -0.153 51.531 52.037 -0.589 0.000 0.983 577 A CB -0.450 18.059 19.000 -0.818 0.000 1.142 577 A HN 0.682 nan 8.150 nan 0.000 0.541 578 Q N 1.784 121.352 119.800 -0.386 0.000 2.707 578 Q HA 0.507 4.848 4.340 0.001 0.000 0.307 578 Q C -1.211 174.733 176.000 -0.094 0.000 0.934 578 Q CA -1.278 54.410 55.803 -0.192 0.000 0.753 578 Q CB 0.853 29.552 28.738 -0.064 0.000 1.478 578 Q HN 0.302 nan 8.270 nan 0.000 0.458 579 K N 0.525 120.914 120.400 -0.018 0.000 2.168 579 K HA 0.369 4.689 4.320 0.001 0.000 0.258 579 K C -0.975 175.717 176.600 0.152 0.000 1.010 579 K CA -0.200 56.119 56.287 0.053 0.000 0.929 579 K CB 0.376 32.892 32.500 0.026 0.000 0.998 579 K HN 0.567 nan 8.250 nan 0.000 0.479 580 F N 1.803 121.767 119.950 0.023 0.000 2.426 580 F HA 0.151 4.679 4.527 0.001 0.000 0.348 580 F C -0.190 175.645 175.800 0.059 0.000 1.124 580 F CA -1.238 56.793 58.000 0.052 0.000 1.008 580 F CB 1.053 40.112 39.000 0.098 0.000 1.139 580 F HN 0.347 nan 8.300 nan 0.000 0.452 581 D N 8.813 128.851 120.400 -0.605 0.000 2.396 581 D HA 0.236 4.877 4.640 0.001 0.000 0.225 581 D C -1.796 173.983 176.300 -0.868 0.000 1.121 581 D CA -2.183 51.520 54.000 -0.496 0.000 0.853 581 D CB 2.026 42.667 40.800 -0.265 0.000 1.043 581 D HN 0.324 nan 8.370 nan 0.000 0.500 582 P HA -0.093 nan 4.420 nan 0.000 0.224 582 P C 1.104 178.298 177.300 -0.177 0.000 1.142 582 P CA 0.568 63.490 63.100 -0.296 0.000 0.778 582 P CB 0.270 32.056 31.700 0.143 0.000 0.764 583 G N -0.372 108.320 108.800 -0.180 0.000 2.712 583 G HA2 -0.006 3.955 3.960 0.001 0.000 0.212 583 G HA3 -0.006 3.955 3.960 0.001 0.000 0.212 583 G C 0.768 175.613 174.900 -0.092 0.000 1.142 583 G CA 0.567 45.614 45.100 -0.088 0.000 0.789 583 G HN 0.432 nan 8.290 nan 0.000 0.535 584 T N -1.714 112.732 114.554 -0.179 0.000 2.910 584 T HA 0.723 5.074 4.350 0.001 0.000 0.279 584 T C -0.359 174.302 174.700 -0.065 0.000 0.989 584 T CA -0.830 61.200 62.100 -0.117 0.000 0.968 584 T CB 2.173 70.965 68.868 -0.127 0.000 1.135 584 T HN -0.064 nan 8.240 nan 0.000 0.562 585 I N 0.857 121.393 120.570 -0.058 0.000 2.498 585 I HA 0.514 4.684 4.170 0.001 0.000 0.290 585 I C -0.276 175.774 176.117 -0.113 0.000 1.032 585 I CA -1.124 60.122 61.300 -0.089 0.000 1.073 585 I CB 1.908 39.747 38.000 -0.269 0.000 1.251 585 I HN 0.408 nan 8.210 nan 0.000 0.426 586 R N 6.871 127.343 120.500 -0.046 0.000 2.513 586 R HA 0.706 5.046 4.340 0.001 0.000 0.301 586 R C -1.371 174.851 176.300 -0.130 0.000 0.968 586 R CA -0.767 55.295 56.100 -0.063 0.000 0.872 586 R CB 2.206 32.555 30.300 0.081 0.000 1.177 586 R HN 0.558 nan 8.270 nan 0.000 0.444 587 L N 3.048 124.168 121.223 -0.172 0.000 2.381 587 L HA 0.520 4.860 4.340 0.001 0.000 0.268 587 L C -0.474 176.368 176.870 -0.048 0.000 0.997 587 L CA -1.240 53.513 54.840 -0.145 0.000 0.818 587 L CB 2.056 43.950 42.059 -0.276 0.000 1.310 587 L HN 0.246 nan 8.230 nan 0.000 0.416 588 L N 2.292 123.529 121.223 0.023 0.000 2.314 588 L HA 0.434 4.775 4.340 0.001 0.000 0.275 588 L C -0.100 176.818 176.870 0.081 0.000 1.068 588 L CA 0.398 55.269 54.840 0.051 0.000 0.894 588 L CB 0.661 42.761 42.059 0.069 0.000 1.275 588 L HN 0.555 nan 8.230 nan 0.000 0.432 589 S N 3.086 118.817 115.700 0.051 0.000 2.693 589 S HA 0.426 4.897 4.470 0.001 0.000 0.276 589 S C -0.143 174.497 174.600 0.068 0.000 1.192 589 S CA -0.711 57.532 58.200 0.071 0.000 0.994 589 S CB 0.977 64.199 63.200 0.036 0.000 1.012 589 S HN 0.644 nan 8.310 nan 0.000 0.550 590 N N 2.000 120.741 118.700 0.068 0.000 2.564 590 N HA 0.252 4.992 4.740 0.001 0.000 0.248 590 N C -2.147 173.376 175.510 0.021 0.000 0.986 590 N CA -2.058 51.017 53.050 0.041 0.000 0.921 590 N CB 1.475 39.984 38.487 0.037 0.000 1.136 590 N HN 0.232 nan 8.380 nan 0.000 0.509 591 P HA -0.024 nan 4.420 nan 0.000 0.234 591 P C 0.095 177.395 177.300 0.001 0.000 1.167 591 P CA 0.707 63.814 63.100 0.011 0.000 0.763 591 P CB 0.554 32.262 31.700 0.014 0.000 0.835 592 N N -0.075 118.622 118.700 -0.006 0.000 2.356 592 N HA 0.064 4.805 4.740 0.001 0.000 0.178 592 N C 0.433 175.925 175.510 -0.030 0.000 1.075 592 N CA 0.473 53.513 53.050 -0.016 0.000 0.889 592 N CB 0.538 39.014 38.487 -0.019 0.000 0.999 592 N HN 0.323 nan 8.380 nan 0.000 0.464 593 K N 0.965 121.343 120.400 -0.037 0.000 2.443 593 K HA 0.384 4.705 4.320 0.001 0.000 0.252 593 K C -0.633 175.928 176.600 -0.064 0.000 0.933 593 K CA -0.435 55.815 56.287 -0.063 0.000 0.792 593 K CB 2.494 34.935 32.500 -0.097 0.000 1.185 593 K HN -0.008 nan 8.250 nan 0.000 0.425 594 E N 1.161 121.320 120.200 -0.068 0.000 2.339 594 E HA 0.202 4.552 4.350 0.001 0.000 0.262 594 E C -0.717 175.831 176.600 -0.087 0.000 0.934 594 E CA -0.988 55.377 56.400 -0.058 0.000 0.802 594 E CB 1.807 31.488 29.700 -0.033 0.000 1.275 594 E HN 0.657 nan 8.360 nan 0.000 0.427 595 N N -0.318 118.337 118.700 -0.075 0.000 2.476 595 N HA 0.179 4.920 4.740 0.001 0.000 0.287 595 N C 0.854 176.331 175.510 -0.055 0.000 1.262 595 N CA -0.792 52.207 53.050 -0.085 0.000 0.980 595 N CB 1.163 39.602 38.487 -0.080 0.000 1.163 595 N HN 0.349 nan 8.380 nan 0.000 0.592 596 R N -0.908 119.564 120.500 -0.047 0.000 2.170 596 R HA -0.106 4.235 4.340 0.001 0.000 0.242 596 R C 0.816 177.098 176.300 -0.029 0.000 1.145 596 R CA 1.663 57.742 56.100 -0.035 0.000 0.984 596 R CB -0.187 30.095 30.300 -0.030 0.000 0.869 596 R HN 0.621 nan 8.270 nan 0.000 0.455 597 M N -0.883 118.700 119.600 -0.028 0.000 2.431 597 M HA 0.268 4.748 4.480 0.001 0.000 0.237 597 M C 0.865 177.157 176.300 -0.013 0.000 1.130 597 M CA 0.679 55.966 55.300 -0.021 0.000 1.002 597 M CB 1.251 33.837 32.600 -0.024 0.000 1.524 597 M HN 0.358 nan 8.290 nan 0.000 0.482 598 G N 0.457 109.248 108.800 -0.015 0.000 2.141 598 G HA2 -0.273 3.687 3.960 0.001 0.000 0.242 598 G HA3 -0.273 3.687 3.960 0.001 0.000 0.242 598 G C -0.018 174.884 174.900 0.003 0.000 0.982 598 G CA -0.082 45.014 45.100 -0.008 0.000 0.662 598 G HN 0.520 nan 8.290 nan 0.000 0.527 599 N N 1.233 119.937 118.700 0.007 0.000 2.456 599 N HA 0.517 5.258 4.740 0.001 0.000 0.288 599 N C -2.806 172.723 175.510 0.030 0.000 1.059 599 N CA -1.757 51.314 53.050 0.034 0.000 0.946 599 N CB 1.512 40.033 38.487 0.057 0.000 1.150 599 N HN -0.026 nan 8.380 nan 0.000 0.479 600 P HA -0.039 nan 4.420 nan 0.000 0.266 600 P C -0.486 176.854 177.300 0.067 0.000 1.215 600 P CA -0.298 62.826 63.100 0.039 0.000 0.763 600 P CB 0.394 32.121 31.700 0.045 0.000 0.806 601 V N 2.132 122.056 119.914 0.017 0.000 2.557 601 V HA 0.268 4.389 4.120 0.001 0.000 0.301 601 V C 0.068 176.290 176.094 0.214 0.000 1.026 601 V CA 0.494 62.816 62.300 0.036 0.000 1.137 601 V CB -0.447 31.249 31.823 -0.212 0.000 0.917 601 V HN 0.450 nan 8.190 nan 0.000 0.484 602 S N 3.299 119.188 115.700 0.315 0.000 2.685 602 S HA 0.790 5.261 4.470 0.001 0.000 0.282 602 S C -1.399 173.383 174.600 0.303 0.000 1.159 602 S CA -0.541 57.844 58.200 0.308 0.000 0.833 602 S CB 1.726 65.038 63.200 0.187 0.000 1.151 602 S HN 0.730 nan 8.310 nan 0.000 0.485 603 Y N 1.408 121.762 120.300 0.089 0.000 2.406 603 Y HA 0.423 4.974 4.550 0.001 0.000 0.340 603 Y C -0.037 175.875 175.900 0.021 0.000 0.975 603 Y CA -0.508 57.614 58.100 0.038 0.000 1.056 603 Y CB 1.753 40.186 38.460 -0.045 0.000 1.210 603 Y HN 0.616 nan 8.280 nan 0.000 0.448 604 Q N 4.288 124.145 119.800 0.094 0.000 2.288 604 Q HA 0.479 4.820 4.340 0.001 0.000 0.258 604 Q C -1.187 174.842 176.000 0.048 0.000 0.957 604 Q CA -0.267 55.557 55.803 0.034 0.000 0.919 604 Q CB 0.625 29.429 28.738 0.110 0.000 1.185 604 Q HN 0.674 nan 8.270 nan 0.000 0.408 605 I N 5.965 126.535 120.570 0.000 0.000 2.312 605 I HA 0.288 4.459 4.170 0.001 0.000 0.290 605 I C -0.374 175.640 176.117 -0.172 0.000 1.008 605 I CA -0.415 60.855 61.300 -0.051 0.000 1.226 605 I CB 0.964 38.936 38.000 -0.046 0.000 1.371 605 I HN 0.562 nan 8.210 nan 0.000 0.468 606 I N 8.526 128.981 120.570 -0.192 0.000 2.537 606 I HA 0.247 4.418 4.170 0.001 0.000 0.276 606 I C -1.905 174.031 176.117 -0.302 0.000 1.063 606 I CA -1.470 59.652 61.300 -0.296 0.000 1.144 606 I CB 1.464 39.453 38.000 -0.019 0.000 1.252 606 I HN 0.329 nan 8.210 nan 0.000 0.480 607 P HA -0.149 nan 4.420 nan 0.000 0.223 607 P C -0.380 176.994 177.300 0.123 0.000 1.151 607 P CA 1.175 64.180 63.100 -0.160 0.000 0.787 607 P CB 0.032 31.605 31.700 -0.212 0.000 0.788 608 Y N -0.367 119.950 120.300 0.028 0.000 2.402 608 Y HA 0.616 5.167 4.550 0.001 0.000 0.325 608 Y C -0.037 176.002 175.900 0.231 0.000 1.009 608 Y CA -1.569 56.660 58.100 0.215 0.000 1.278 608 Y CB 0.665 39.334 38.460 0.349 0.000 1.105 608 Y HN -0.189 nan 8.280 nan 0.000 0.476 609 A N 3.712 126.391 122.820 -0.234 0.000 2.535 609 A HA 0.714 5.035 4.320 0.001 0.000 0.273 609 A C 0.798 178.188 177.584 -0.324 0.000 1.267 609 A CA 0.272 52.169 52.037 -0.234 0.000 0.940 609 A CB -0.609 18.354 19.000 -0.062 0.000 1.101 609 A HN 1.586 nan 8.150 nan 0.000 0.521 610 G N -2.240 106.145 108.800 -0.693 0.000 2.423 610 G HA2 0.514 4.475 3.960 0.001 0.000 0.684 610 G HA3 0.514 4.475 3.960 0.001 0.000 0.684 610 G C -0.207 174.747 174.900 0.089 0.000 1.309 610 G CA -0.322 44.604 45.100 -0.289 0.000 0.950 610 G HN 1.903 nan 8.290 nan 0.000 0.587 611 G N -2.263 106.647 108.800 0.184 0.000 2.547 611 G HA2 0.743 4.704 3.960 0.001 0.000 0.291 611 G HA3 0.743 4.704 3.960 0.001 0.000 0.291 611 G C 0.515 175.501 174.900 0.143 0.000 1.471 611 G CA 0.934 46.119 45.100 0.141 0.000 0.798 611 G HN 1.981 nan 8.290 nan 0.000 0.504 612 T N -2.581 112.025 114.554 0.087 0.000 3.060 612 T HA 0.284 4.635 4.350 0.001 0.000 0.249 612 T C 0.593 175.302 174.700 0.015 0.000 1.079 612 T CA 0.554 62.678 62.100 0.041 0.000 1.013 612 T CB 0.001 68.867 68.868 -0.004 0.000 0.975 612 T HN 0.431 nan 8.240 nan 0.000 0.518 613 H N 1.397 120.487 119.070 0.034 0.000 2.737 613 H HA 0.561 5.117 4.556 0.001 0.000 0.358 613 H C -2.571 172.782 175.328 0.042 0.000 1.187 613 H CA -2.438 53.611 56.048 0.001 0.000 1.221 613 H CB 1.342 31.072 29.762 -0.053 0.000 1.799 613 H HN 0.032 nan 8.280 nan 0.000 0.568 614 P HA -0.036 nan 4.420 nan 0.000 0.267 614 P C -0.472 176.871 177.300 0.072 0.000 1.200 614 P CA -0.071 63.079 63.100 0.083 0.000 0.772 614 P CB 0.664 32.376 31.700 0.020 0.000 0.855 615 V N 2.590 122.534 119.914 0.050 0.000 2.649 615 V HA 0.482 4.602 4.120 0.001 0.000 0.292 615 V C -0.042 176.023 176.094 -0.049 0.000 1.055 615 V CA -0.494 61.804 62.300 -0.003 0.000 1.023 615 V CB 0.603 32.320 31.823 -0.176 0.000 0.992 615 V HN 0.669 nan 8.190 nan 0.000 0.480 616 A N 5.543 128.343 122.820 -0.034 0.000 2.310 616 A HA 0.401 4.722 4.320 0.001 0.000 0.300 616 A C 0.851 178.403 177.584 -0.053 0.000 1.269 616 A CA -0.357 51.654 52.037 -0.043 0.000 0.909 616 A CB 0.082 19.068 19.000 -0.024 0.000 1.144 616 A HN 0.979 nan 8.150 nan 0.000 0.540 617 K N 1.820 122.186 120.400 -0.057 0.000 2.504 617 K HA 0.229 4.549 4.320 0.001 0.000 0.195 617 K C 0.968 177.563 176.600 -0.008 0.000 1.036 617 K CA 0.802 57.062 56.287 -0.047 0.000 0.984 617 K CB 0.077 32.551 32.500 -0.043 0.000 0.788 617 K HN 0.980 nan 8.250 nan 0.000 0.488 618 G N -0.030 108.769 108.800 -0.002 0.000 2.351 618 G HA2 0.335 4.295 3.960 0.001 0.000 0.279 618 G HA3 0.335 4.295 3.960 0.001 0.000 0.279 618 G C -1.746 173.165 174.900 0.017 0.000 1.297 618 G CA -0.568 44.546 45.100 0.023 0.000 0.886 618 G HN 0.070 nan 8.290 nan 0.000 0.493 619 A N -0.153 122.709 122.820 0.069 0.000 2.362 619 A HA 0.596 4.916 4.320 0.001 0.000 0.276 619 A C 0.422 178.055 177.584 0.083 0.000 1.153 619 A CA -0.131 51.976 52.037 0.117 0.000 0.813 619 A CB 0.496 19.669 19.000 0.288 0.000 1.081 619 A HN 0.417 nan 8.150 nan 0.000 0.507 620 Q N 2.030 121.730 119.800 -0.165 0.000 3.223 620 Q HA 0.248 4.589 4.340 0.001 0.000 0.299 620 Q C -1.518 174.196 176.000 -0.478 0.000 1.385 620 Q CA 0.693 56.332 55.803 -0.274 0.000 0.942 620 Q CB -0.831 27.709 28.738 -0.331 0.000 1.748 620 Q HN 0.539 nan 8.270 nan 0.000 0.523 621 F N -0.513 119.480 119.950 0.073 0.000 2.578 621 F HA 0.516 5.044 4.527 0.001 0.000 0.311 621 F C 0.254 176.015 175.800 -0.066 0.000 1.094 621 F CA -1.434 56.599 58.000 0.056 0.000 0.923 621 F CB 1.170 40.267 39.000 0.162 0.000 1.230 621 F HN 0.109 nan 8.300 nan 0.000 0.450 622 A N 3.915 126.803 122.820 0.113 0.000 2.483 622 A HA 0.326 4.647 4.320 0.001 0.000 0.238 622 A C -1.541 175.872 177.584 -0.285 0.000 1.070 622 A CA -0.968 51.030 52.037 -0.065 0.000 0.770 622 A CB -0.305 18.680 19.000 -0.025 0.000 1.008 622 A HN 0.601 nan 8.150 nan 0.000 0.497 623 P HA -0.130 nan 4.420 nan 0.000 0.234 623 P C 0.056 177.077 177.300 -0.466 0.000 1.162 623 P CA 1.297 63.934 63.100 -0.772 0.000 0.759 623 P CB 0.045 31.477 31.700 -0.447 0.000 0.813 624 D N -1.552 118.681 120.400 -0.278 0.000 2.424 624 D HA 0.058 4.699 4.640 0.001 0.000 0.220 624 D C 0.071 176.270 176.300 -0.167 0.000 1.150 624 D CA -0.143 53.730 54.000 -0.211 0.000 0.831 624 D CB 0.114 40.828 40.800 -0.145 0.000 0.981 624 D HN 0.070 nan 8.370 nan 0.000 0.500 625 E N -0.056 120.079 120.200 -0.108 0.000 2.266 625 E HA 0.095 4.445 4.350 0.001 0.000 0.277 625 E C 0.166 176.746 176.600 -0.034 0.000 1.018 625 E CA -0.617 55.783 56.400 -0.001 0.000 0.840 625 E CB 1.169 30.886 29.700 0.029 0.000 1.082 625 E HN 0.161 nan 8.360 nan 0.000 0.395 626 W N 2.121 123.425 121.300 0.006 0.000 2.355 626 W HA -0.110 4.551 4.660 0.002 0.000 0.309 626 W C 2.174 178.676 176.519 -0.027 0.000 1.206 626 W CA 0.435 57.795 57.345 0.025 0.000 1.284 626 W CB -0.313 29.091 29.460 -0.094 0.000 1.145 626 W HN 0.619 nan 8.180 nan 0.000 0.502 627 I N -0.355 120.209 120.570 -0.009 0.000 2.185 627 I HA -0.416 3.755 4.170 0.001 0.000 0.246 627 I C 2.435 178.469 176.117 -0.139 0.000 1.088 627 I CA 1.847 63.046 61.300 -0.168 0.000 1.347 627 I CB -0.419 37.307 38.000 -0.458 0.000 1.041 627 I HN 0.104 nan 8.210 nan 0.000 0.415 628 Y N 0.671 120.805 120.300 -0.276 0.000 2.293 628 Y HA -0.315 4.236 4.550 0.001 0.000 0.291 628 Y C 2.513 178.400 175.900 -0.021 0.000 1.137 628 Y CA 2.277 60.299 58.100 -0.131 0.000 1.202 628 Y CB -0.520 37.900 38.460 -0.067 0.000 0.990 628 Y HN 0.433 nan 8.280 nan 0.000 0.537 629 H N 0.018 119.155 119.070 0.111 0.000 2.284 629 H HA 0.000 4.557 4.556 0.001 0.000 0.304 629 H C 2.277 177.625 175.328 0.032 0.000 1.069 629 H CA 2.117 58.194 56.048 0.048 0.000 1.327 629 H CB -0.191 29.509 29.762 -0.103 0.000 1.387 629 H HN 0.193 nan 8.280 nan 0.000 0.498 630 R N -0.310 120.133 120.500 -0.094 0.000 2.105 630 R HA -0.014 4.326 4.340 0.001 0.000 0.239 630 R C 0.138 176.355 176.300 -0.138 0.000 1.135 630 R CA 1.287 57.300 56.100 -0.145 0.000 0.967 630 R CB -0.100 30.215 30.300 0.024 0.000 0.861 630 R HN 0.262 nan 8.270 nan 0.000 0.442 631 L N 0.892 122.058 121.223 -0.095 0.000 2.353 631 L HA 0.241 4.581 4.340 0.001 0.000 0.270 631 L C 0.668 177.429 176.870 -0.182 0.000 1.003 631 L CA -0.431 54.387 54.840 -0.036 0.000 0.862 631 L CB 1.972 44.066 42.059 0.058 0.000 1.221 631 L HN 0.055 nan 8.230 nan 0.000 0.430 632 S N 0.970 116.601 115.700 -0.116 0.000 2.524 632 S HA -0.074 4.397 4.470 0.001 0.000 0.216 632 S C 1.512 176.133 174.600 0.036 0.000 0.987 632 S CA -0.128 58.003 58.200 -0.115 0.000 0.909 632 S CB -0.274 62.943 63.200 0.029 0.000 0.781 632 S HN 0.651 nan 8.310 nan 0.000 0.521 633 F N 1.610 121.445 119.950 -0.192 0.000 2.546 633 F HA 0.267 4.794 4.527 0.001 0.000 0.298 633 F C 1.814 177.683 175.800 0.115 0.000 1.120 633 F CA 0.124 58.011 58.000 -0.188 0.000 1.456 633 F CB -0.966 37.750 39.000 -0.473 0.000 1.088 633 F HN 0.079 nan 8.300 nan 0.000 0.572 634 M N 0.478 119.611 119.600 -0.778 0.000 2.175 634 M HA -0.144 4.337 4.480 0.001 0.000 0.264 634 M C 1.250 177.449 176.300 -0.168 0.000 1.063 634 M CA 1.947 56.891 55.300 -0.593 0.000 1.119 634 M CB -0.530 31.733 32.600 -0.562 0.000 1.377 634 M HN 0.137 nan 8.290 nan 0.000 0.415 635 D N 0.127 120.471 120.400 -0.093 0.000 2.350 635 D HA 0.038 4.678 4.640 0.001 0.000 0.213 635 D C -0.102 176.233 176.300 0.059 0.000 1.031 635 D CA 0.537 54.536 54.000 -0.001 0.000 0.861 635 D CB 0.540 41.318 40.800 -0.037 0.000 0.926 635 D HN -0.101 nan 8.370 nan 0.000 0.520 636 K N 0.328 120.820 120.400 0.153 0.000 2.324 636 K HA 0.284 4.605 4.320 0.001 0.000 0.253 636 K C 0.175 176.912 176.600 0.229 0.000 0.932 636 K CA -0.402 55.912 56.287 0.045 0.000 0.799 636 K CB 1.845 34.081 32.500 -0.440 0.000 1.154 636 K HN -0.116 nan 8.250 nan 0.000 0.425 637 Q N 0.477 120.372 119.800 0.158 0.000 2.398 637 Q HA 0.124 4.465 4.340 0.001 0.000 0.204 637 Q C -0.125 176.032 176.000 0.262 0.000 0.932 637 Q CA 0.350 56.299 55.803 0.244 0.000 0.916 637 Q CB 0.278 29.160 28.738 0.239 0.000 1.024 637 Q HN 0.311 nan 8.270 nan 0.000 0.504 638 L N -0.094 121.219 121.223 0.150 0.000 2.409 638 L HA 0.571 4.911 4.340 0.001 0.000 0.272 638 L C -2.069 174.842 176.870 0.069 0.000 0.980 638 L CA -0.487 54.457 54.840 0.173 0.000 0.826 638 L CB 1.123 43.244 42.059 0.104 0.000 1.268 638 L HN -0.013 nan 8.230 nan 0.000 0.407 639 W N 4.220 125.650 121.300 0.216 0.000 2.936 639 W HA 0.805 5.466 4.660 0.001 0.000 0.338 639 W C -1.200 175.511 176.519 0.320 0.000 1.121 639 W CA -0.817 56.652 57.345 0.206 0.000 1.209 639 W CB 2.235 31.760 29.460 0.108 0.000 1.420 639 W HN 0.267 nan 8.180 nan 0.000 0.516 640 V N 2.382 122.584 119.914 0.479 0.000 2.612 640 V HA 0.675 4.795 4.120 0.001 0.000 0.301 640 V C -0.241 176.068 176.094 0.358 0.000 1.059 640 V CA -0.816 61.727 62.300 0.406 0.000 0.886 640 V CB 1.488 33.454 31.823 0.239 0.000 1.007 640 V HN 0.601 nan 8.190 nan 0.000 0.426 641 T N 1.389 116.186 114.554 0.404 0.000 2.907 641 T HA 0.775 5.126 4.350 0.001 0.000 0.290 641 T C -0.412 174.395 174.700 0.179 0.000 1.066 641 T CA -0.970 61.308 62.100 0.297 0.000 1.012 641 T CB 2.108 71.184 68.868 0.347 0.000 1.184 641 T HN 0.522 nan 8.240 nan 0.000 0.522 642 R N 0.525 121.062 120.500 0.062 0.000 2.491 642 R HA 0.297 4.637 4.340 0.001 0.000 0.283 642 R C -0.819 175.289 176.300 -0.319 0.000 1.072 642 R CA -0.745 55.293 56.100 -0.104 0.000 1.048 642 R CB -0.487 29.716 30.300 -0.161 0.000 0.983 642 R HN 0.748 nan 8.270 nan 0.000 0.450 643 Y N 4.814 124.931 120.300 -0.305 0.000 2.717 643 Y HA 0.105 4.655 4.550 0.001 0.000 0.330 643 Y C -0.872 174.752 175.900 -0.460 0.000 1.217 643 Y CA 0.734 58.676 58.100 -0.264 0.000 1.506 643 Y CB 0.301 38.683 38.460 -0.129 0.000 1.268 643 Y HN 0.575 nan 8.280 nan 0.000 0.561 644 H N 7.645 126.214 119.070 -0.835 0.000 3.149 644 H HA 0.170 4.726 4.556 0.001 0.000 0.334 644 H C -2.060 172.821 175.328 -0.745 0.000 1.000 644 H CA -1.841 53.763 56.048 -0.740 0.000 1.415 644 H CB 1.823 31.379 29.762 -0.343 0.000 1.819 644 H HN 0.490 nan 8.280 nan 0.000 0.486 645 P HA -0.093 nan 4.420 nan 0.000 0.223 645 P C 1.132 178.327 177.300 -0.174 0.000 1.144 645 P CA 1.110 64.053 63.100 -0.262 0.000 0.783 645 P CB 0.211 31.844 31.700 -0.112 0.000 0.771 646 G N -0.475 108.219 108.800 -0.176 0.000 3.088 646 G HA2 0.009 3.969 3.960 0.001 0.000 0.217 646 G HA3 0.009 3.969 3.960 0.001 0.000 0.217 646 G C 0.301 175.083 174.900 -0.197 0.000 1.159 646 G CA -0.137 44.879 45.100 -0.140 0.000 0.760 646 G HN 0.286 nan 8.290 nan 0.000 0.550 647 E N 0.582 120.594 120.200 -0.313 0.000 2.063 647 E HA 0.408 4.759 4.350 0.001 0.000 0.265 647 E C 0.137 176.485 176.600 -0.420 0.000 0.919 647 E CA -0.391 55.634 56.400 -0.625 0.000 0.756 647 E CB 1.175 30.268 29.700 -1.012 0.000 1.120 647 E HN 0.230 nan 8.360 nan 0.000 0.414 648 R N 1.529 121.768 120.500 -0.435 0.000 2.556 648 R HA 0.202 4.543 4.340 0.001 0.000 0.276 648 R C -0.357 175.646 176.300 -0.493 0.000 0.931 648 R CA -0.061 55.710 56.100 -0.548 0.000 1.061 648 R CB 0.718 30.432 30.300 -0.977 0.000 1.432 648 R HN 0.224 nan 8.270 nan 0.000 0.547 649 F N 2.328 122.441 119.950 0.271 0.000 2.482 649 F HA 0.379 4.907 4.527 0.001 0.000 0.331 649 F C -1.507 174.303 175.800 0.016 0.000 1.115 649 F CA -3.060 55.021 58.000 0.134 0.000 0.955 649 F CB 1.429 40.415 39.000 -0.023 0.000 1.136 649 F HN -0.271 nan 8.300 nan 0.000 0.452 650 P HA -0.191 nan 4.420 nan 0.000 0.216 650 P C 0.841 177.680 177.300 -0.768 0.000 1.153 650 P CA 1.775 64.489 63.100 -0.643 0.000 0.848 650 P CB 0.248 31.364 31.700 -0.974 0.000 0.787 651 E N 0.627 120.434 120.200 -0.655 0.000 2.478 651 E HA 0.167 4.517 4.350 0.001 0.000 0.194 651 E C 0.911 177.387 176.600 -0.206 0.000 1.045 651 E CA 0.668 56.855 56.400 -0.354 0.000 0.868 651 E CB -0.552 29.025 29.700 -0.204 0.000 0.885 651 E HN 0.230 nan 8.360 nan 0.000 0.505 652 G N 1.666 110.376 108.800 -0.149 0.000 2.629 652 G HA2 -0.240 3.721 3.960 0.001 0.000 0.686 652 G HA3 -0.240 3.721 3.960 0.001 0.000 0.686 652 G C 0.022 174.898 174.900 -0.039 0.000 1.232 652 G CA -0.104 44.941 45.100 -0.092 0.000 0.803 652 G HN 0.121 nan 8.290 nan 0.000 0.638 653 K N -0.788 119.593 120.400 -0.033 0.000 2.148 653 K HA 0.041 4.362 4.320 0.001 0.000 0.204 653 K C 0.163 176.338 176.600 -0.709 0.000 1.050 653 K CA 1.310 57.408 56.287 -0.315 0.000 0.942 653 K CB -0.097 32.197 32.500 -0.344 0.000 0.724 653 K HN 0.488 nan 8.250 nan 0.000 0.446 654 Y N 0.263 120.522 120.300 -0.068 0.000 2.584 654 Y HA 0.247 4.797 4.550 0.001 0.000 0.358 654 Y C -2.047 173.806 175.900 -0.078 0.000 1.028 654 Y CA -2.370 55.684 58.100 -0.076 0.000 1.148 654 Y CB 1.508 39.936 38.460 -0.054 0.000 1.126 654 Y HN 0.086 nan 8.280 nan 0.000 0.658 655 P HA -0.065 nan 4.420 nan 0.000 0.233 655 P C 0.101 177.416 177.300 0.026 0.000 1.167 655 P CA 0.476 63.571 63.100 -0.008 0.000 0.770 655 P CB 0.489 32.169 31.700 -0.034 0.000 0.837 656 N N 1.922 120.653 118.700 0.051 0.000 2.400 656 N HA -0.003 4.738 4.740 0.001 0.000 0.267 656 N C 0.184 175.715 175.510 0.035 0.000 1.208 656 N CA 0.118 53.186 53.050 0.031 0.000 0.951 656 N CB -0.627 37.867 38.487 0.012 0.000 1.227 656 N HN -0.079 nan 8.380 nan 0.000 0.488 657 R N 0.303 120.809 120.500 0.010 0.000 3.774 657 R HA -0.162 4.179 4.340 0.001 0.000 0.320 657 R C -0.377 175.926 176.300 0.005 0.000 1.175 657 R CA 0.797 56.909 56.100 0.019 0.000 0.849 657 R CB -2.847 27.408 30.300 -0.075 0.000 1.365 657 R HN 0.721 nan 8.270 nan 0.000 0.502 658 S N -0.545 115.146 115.700 -0.016 0.000 2.568 658 S HA 0.126 4.597 4.470 0.001 0.000 0.282 658 S C 1.595 176.063 174.600 -0.220 0.000 1.338 658 S CA 0.193 58.340 58.200 -0.088 0.000 1.045 658 S CB 1.563 64.708 63.200 -0.093 0.000 0.873 658 S HN 0.330 nan 8.310 nan 0.000 0.516 659 T N -2.180 112.223 114.554 -0.251 0.000 3.044 659 T HA 0.122 4.472 4.350 0.001 0.000 0.255 659 T C 0.650 175.441 174.700 0.151 0.000 1.073 659 T CA 0.564 62.438 62.100 -0.378 0.000 1.125 659 T CB -0.532 68.124 68.868 -0.354 0.000 0.908 659 T HN 0.971 nan 8.240 nan 0.000 0.480 660 H N -0.726 118.302 119.070 -0.071 0.000 2.985 660 H HA 0.496 5.052 4.556 0.001 0.000 0.360 660 H C -1.720 173.518 175.328 -0.149 0.000 1.221 660 H CA -1.234 54.760 56.048 -0.090 0.000 1.121 660 H CB 0.807 30.557 29.762 -0.020 0.000 1.854 660 H HN 0.000 nan 8.280 nan 0.000 0.551 661 D N 1.384 121.628 120.400 -0.261 0.000 2.363 661 D HA 0.007 4.648 4.640 0.001 0.000 0.263 661 D C 0.558 176.646 176.300 -0.353 0.000 1.258 661 D CA 0.350 54.171 54.000 -0.297 0.000 0.907 661 D CB 0.637 41.292 40.800 -0.242 0.000 1.107 661 D HN 0.668 nan 8.370 nan 0.000 0.495 662 T N 0.592 114.900 114.554 -0.411 0.000 3.174 662 T HA 0.425 4.776 4.350 0.001 0.000 0.269 662 T C 0.793 175.194 174.700 -0.499 0.000 1.017 662 T CA -0.269 61.601 62.100 -0.383 0.000 0.899 662 T CB 0.739 69.416 68.868 -0.319 0.000 1.077 662 T HN 0.264 nan 8.240 nan 0.000 0.552 663 G N 1.048 109.453 108.800 -0.659 0.000 3.310 663 G HA2 0.503 4.464 3.960 0.001 0.000 0.176 663 G HA3 0.503 4.464 3.960 0.001 0.000 0.176 663 G C 0.732 174.695 174.900 -1.561 0.000 1.307 663 G CA -0.769 43.689 45.100 -1.070 0.000 0.935 663 G HN 0.262 nan 8.290 nan 0.000 0.628 664 L N 0.944 121.480 121.223 -1.145 0.000 2.189 664 L HA -0.092 4.248 4.340 0.001 0.000 0.214 664 L C 2.963 179.458 176.870 -0.625 0.000 1.097 664 L CA 1.272 55.501 54.840 -1.020 0.000 0.764 664 L CB -0.396 40.729 42.059 -1.556 0.000 0.900 664 L HN 0.586 nan 8.230 nan 0.000 0.436 665 G N -1.260 107.257 108.800 -0.472 0.000 2.408 665 G HA2 -0.289 3.672 3.960 0.001 0.000 0.217 665 G HA3 -0.289 3.672 3.960 0.001 0.000 0.217 665 G C 1.484 176.297 174.900 -0.145 0.000 1.150 665 G CA 0.591 45.598 45.100 -0.155 0.000 0.776 665 G HN 0.419 nan 8.290 nan 0.000 0.542 666 Q N -0.831 118.776 119.800 -0.320 0.000 2.096 666 Q HA -0.080 4.261 4.340 0.001 0.000 0.197 666 Q C 2.170 178.123 176.000 -0.077 0.000 0.964 666 Q CA 0.796 56.471 55.803 -0.215 0.000 0.838 666 Q CB -0.173 28.384 28.738 -0.302 0.000 0.906 666 Q HN 0.526 nan 8.270 nan 0.000 0.444 667 Y N 0.439 120.684 120.300 -0.092 0.000 2.483 667 Y HA -0.090 4.460 4.550 0.001 0.000 0.291 667 Y C 2.318 178.237 175.900 0.033 0.000 1.143 667 Y CA 1.154 59.228 58.100 -0.044 0.000 1.289 667 Y CB -0.297 38.079 38.460 -0.141 0.000 0.983 667 Y HN 0.276 nan 8.280 nan 0.000 0.556 668 S N -2.110 113.690 115.700 0.166 0.000 2.578 668 S HA 0.138 4.609 4.470 0.001 0.000 0.228 668 S C 1.578 176.261 174.600 0.139 0.000 1.022 668 S CA -0.290 58.021 58.200 0.184 0.000 0.967 668 S CB 0.111 63.466 63.200 0.259 0.000 0.914 668 S HN 0.080 nan 8.310 nan 0.000 0.515 669 K N 2.383 122.845 120.400 0.103 0.000 2.218 669 K HA -0.049 4.271 4.320 0.001 0.000 0.205 669 K C 0.846 177.494 176.600 0.080 0.000 1.046 669 K CA 1.662 57.999 56.287 0.082 0.000 0.933 669 K CB -0.360 32.175 32.500 0.058 0.000 0.728 669 K HN 0.352 nan 8.250 nan 0.000 0.454 670 D N -0.059 120.394 120.400 0.089 0.000 2.349 670 D HA -0.077 4.564 4.640 0.001 0.000 0.224 670 D C -0.421 175.930 176.300 0.085 0.000 1.029 670 D CA 0.188 54.237 54.000 0.081 0.000 0.879 670 D CB -0.442 40.408 40.800 0.083 0.000 0.906 670 D HN 0.387 nan 8.370 nan 0.000 0.528 671 N N 1.846 120.603 118.700 0.094 0.000 2.689 671 N HA -0.199 4.542 4.740 0.001 0.000 0.263 671 N C -0.562 175.001 175.510 0.088 0.000 0.987 671 N CA 0.095 53.199 53.050 0.089 0.000 0.782 671 N CB -0.260 38.269 38.487 0.070 0.000 0.903 671 N HN 0.341 nan 8.380 nan 0.000 0.547 672 E N 0.169 120.432 120.200 0.105 0.000 2.391 672 E HA 0.097 4.448 4.350 0.001 0.000 0.255 672 E C 0.263 176.916 176.600 0.089 0.000 1.187 672 E CA -0.352 56.108 56.400 0.100 0.000 0.941 672 E CB 0.749 30.523 29.700 0.123 0.000 1.010 672 E HN 0.272 nan 8.360 nan 0.000 0.458 673 S N 0.621 116.368 115.700 0.078 0.000 2.549 673 S HA 0.100 4.571 4.470 0.001 0.000 0.279 673 S C 0.299 174.942 174.600 0.071 0.000 1.321 673 S CA -0.355 57.887 58.200 0.069 0.000 1.054 673 S CB 0.125 63.361 63.200 0.059 0.000 0.899 673 S HN 0.409 nan 8.310 nan 0.000 0.497 674 L N 3.371 124.636 121.223 0.069 0.000 3.110 674 L HA 0.351 4.691 4.340 0.001 0.000 0.266 674 L C -0.191 176.714 176.870 0.058 0.000 1.257 674 L CA -0.208 54.674 54.840 0.070 0.000 1.038 674 L CB 0.305 42.413 42.059 0.082 0.000 1.395 674 L HN 0.577 nan 8.230 nan 0.000 0.566 675 D N 1.117 121.548 120.400 0.051 0.000 2.347 675 D HA 0.085 4.726 4.640 0.001 0.000 0.235 675 D C 0.668 176.991 176.300 0.038 0.000 1.149 675 D CA -0.019 54.007 54.000 0.043 0.000 0.850 675 D CB 0.352 41.177 40.800 0.041 0.000 1.061 675 D HN 0.185 nan 8.370 nan 0.000 0.487 676 N N 2.781 121.502 118.700 0.034 0.000 2.705 676 N HA -0.249 4.492 4.740 0.001 0.000 0.255 676 N C -1.286 174.241 175.510 0.029 0.000 1.008 676 N CA 0.739 53.806 53.050 0.028 0.000 0.742 676 N CB -0.438 38.063 38.487 0.023 0.000 0.906 676 N HN 0.456 nan 8.380 nan 0.000 0.541 677 T N -0.746 113.828 114.554 0.035 0.000 2.812 677 T HA 0.132 4.483 4.350 0.001 0.000 0.294 677 T C -1.580 173.142 174.700 0.037 0.000 1.159 677 T CA -0.636 61.486 62.100 0.036 0.000 1.008 677 T CB 1.483 70.377 68.868 0.044 0.000 1.289 677 T HN 0.187 nan 8.240 nan 0.000 0.514 678 D N 1.670 122.093 120.400 0.039 0.000 2.349 678 D HA 0.426 5.067 4.640 0.001 0.000 0.266 678 D C -0.041 176.300 176.300 0.069 0.000 1.293 678 D CA 0.122 54.145 54.000 0.037 0.000 0.926 678 D CB 0.376 41.196 40.800 0.034 0.000 1.090 678 D HN 0.715 nan 8.370 nan 0.000 0.502 679 A N 3.118 125.976 122.820 0.064 0.000 2.282 679 A HA 0.639 4.960 4.320 0.001 0.000 0.319 679 A C -0.641 176.999 177.584 0.093 0.000 1.121 679 A CA -0.607 51.484 52.037 0.090 0.000 0.836 679 A CB 1.482 20.534 19.000 0.086 0.000 1.146 679 A HN 0.356 nan 8.150 nan 0.000 0.494 680 V N 1.725 121.714 119.914 0.125 0.000 2.524 680 V HA 0.334 4.455 4.120 0.001 0.000 0.297 680 V C -0.500 175.636 176.094 0.070 0.000 1.035 680 V CA -0.509 61.820 62.300 0.049 0.000 0.867 680 V CB 1.485 33.336 31.823 0.046 0.000 1.004 680 V HN 0.672 nan 8.190 nan 0.000 0.426 681 V N 4.104 124.000 119.914 -0.029 0.000 2.509 681 V HA 0.460 4.581 4.120 0.001 0.000 0.284 681 V C -0.914 175.157 176.094 -0.038 0.000 1.047 681 V CA -0.386 61.964 62.300 0.084 0.000 0.952 681 V CB 1.520 33.386 31.823 0.072 0.000 0.988 681 V HN 0.895 nan 8.190 nan 0.000 0.469 682 W N 4.769 126.190 121.300 0.202 0.000 2.475 682 W HA 0.702 5.363 4.660 0.001 0.000 0.320 682 W C -0.243 176.443 176.519 0.280 0.000 1.022 682 W CA -0.620 56.853 57.345 0.212 0.000 1.240 682 W CB 1.124 30.682 29.460 0.162 0.000 1.328 682 W HN 0.279 nan 8.180 nan 0.000 0.439 683 M N 3.209 123.069 119.600 0.433 0.000 2.268 683 M HA 0.470 4.951 4.480 0.001 0.000 0.344 683 M C -0.208 176.343 176.300 0.419 0.000 1.106 683 M CA -0.230 55.298 55.300 0.380 0.000 1.010 683 M CB 1.734 34.499 32.600 0.276 0.000 1.649 683 M HN 0.226 nan 8.290 nan 0.000 0.443 684 T N 1.404 116.196 114.554 0.397 0.000 2.797 684 T HA 0.571 4.922 4.350 0.001 0.000 0.279 684 T C -0.448 174.441 174.700 0.316 0.000 0.991 684 T CA -0.513 61.807 62.100 0.366 0.000 0.979 684 T CB 1.668 70.778 68.868 0.403 0.000 0.943 684 T HN 0.723 nan 8.240 nan 0.000 0.444 685 T N 1.418 116.169 114.554 0.328 0.000 2.982 685 T HA 0.743 5.094 4.350 0.001 0.000 0.321 685 T C -0.599 174.311 174.700 0.351 0.000 1.229 685 T CA -0.256 62.041 62.100 0.328 0.000 1.044 685 T CB 1.319 70.416 68.868 0.381 0.000 1.184 685 T HN 0.895 nan 8.240 nan 0.000 0.477 686 G N 1.464 110.420 108.800 0.260 0.000 2.721 686 G HA2 0.769 4.729 3.960 0.001 0.000 0.296 686 G HA3 0.769 4.729 3.960 0.001 0.000 0.296 686 G C -0.799 174.212 174.900 0.185 0.000 1.383 686 G CA -0.154 45.086 45.100 0.233 0.000 0.788 686 G HN 1.112 nan 8.290 nan 0.000 0.500 687 T N -2.996 111.651 114.554 0.155 0.000 2.896 687 T HA 0.698 5.049 4.350 0.001 0.000 0.297 687 T C -0.849 173.838 174.700 -0.022 0.000 1.108 687 T CA -0.639 61.524 62.100 0.105 0.000 1.004 687 T CB 1.969 70.954 68.868 0.194 0.000 1.159 687 T HN 0.472 nan 8.240 nan 0.000 0.499 688 T N 1.798 116.301 114.554 -0.084 0.000 2.772 688 T HA 0.340 4.691 4.350 0.001 0.000 0.288 688 T C -0.762 173.792 174.700 -0.243 0.000 0.994 688 T CA -0.421 61.576 62.100 -0.172 0.000 0.951 688 T CB 0.007 68.796 68.868 -0.132 0.000 0.933 688 T HN 0.774 nan 8.240 nan 0.000 0.447 689 H N 3.324 122.075 119.070 -0.532 0.000 2.690 689 H HA 0.525 5.082 4.556 0.001 0.000 0.289 689 H C -0.922 174.141 175.328 -0.442 0.000 1.089 689 H CA -0.690 54.969 56.048 -0.649 0.000 1.299 689 H CB 0.453 29.723 29.762 -0.820 0.000 1.405 689 H HN 0.289 nan 8.280 nan 0.000 0.463 690 V N 5.322 125.210 119.914 -0.044 0.000 2.347 690 V HA 0.337 4.457 4.120 0.001 0.000 0.280 690 V C 0.521 176.645 176.094 0.051 0.000 1.021 690 V CA -0.585 61.676 62.300 -0.065 0.000 0.847 690 V CB 0.733 32.527 31.823 -0.048 0.000 0.990 690 V HN 0.925 nan 8.190 nan 0.000 0.444 691 A N 6.705 129.478 122.820 -0.078 0.000 2.366 691 A HA 0.780 5.101 4.320 0.001 0.000 0.250 691 A C 0.388 178.019 177.584 0.077 0.000 1.099 691 A CA -0.117 51.934 52.037 0.023 0.000 0.794 691 A CB 0.421 19.368 19.000 -0.088 0.000 1.056 691 A HN 0.999 nan 8.150 nan 0.000 0.499 692 R N -1.465 119.109 120.500 0.124 0.000 2.692 692 R HA 0.624 4.965 4.340 0.001 0.000 0.269 692 R C 0.345 176.713 176.300 0.114 0.000 1.030 692 R CA -0.220 55.938 56.100 0.096 0.000 0.882 692 R CB 1.155 31.520 30.300 0.109 0.000 1.250 692 R HN 0.761 nan 8.270 nan 0.000 0.465 693 A N 1.055 123.928 122.820 0.089 0.000 1.978 693 A HA -0.183 4.138 4.320 0.001 0.000 0.220 693 A C 1.423 179.099 177.584 0.153 0.000 1.170 693 A CA 1.853 53.961 52.037 0.118 0.000 0.636 693 A CB -0.596 18.451 19.000 0.079 0.000 0.810 693 A HN 0.829 nan 8.150 nan 0.000 0.448 694 E N 0.349 120.621 120.200 0.121 0.000 2.333 694 E HA -0.141 4.210 4.350 0.001 0.000 0.198 694 E C 1.256 177.929 176.600 0.122 0.000 1.007 694 E CA 1.291 57.753 56.400 0.104 0.000 0.845 694 E CB -0.172 29.576 29.700 0.080 0.000 0.766 694 E HN 0.807 nan 8.360 nan 0.000 0.507 695 E N -0.890 119.418 120.200 0.179 0.000 2.444 695 E HA 0.041 4.392 4.350 0.001 0.000 0.191 695 E C -0.302 176.467 176.600 0.281 0.000 1.041 695 E CA -0.260 56.261 56.400 0.202 0.000 0.883 695 E CB 0.359 30.223 29.700 0.273 0.000 1.024 695 E HN 0.184 nan 8.360 nan 0.000 0.470 696 W N 1.826 123.144 121.300 0.031 0.000 3.022 696 W HA 0.239 4.899 4.660 0.001 0.000 0.335 696 W C -2.324 174.211 176.519 0.026 0.000 1.133 696 W CA -2.110 55.249 57.345 0.024 0.000 1.219 696 W CB 1.715 31.191 29.460 0.026 0.000 1.409 696 W HN -0.157 nan 8.180 nan 0.000 0.507 697 P HA 0.040 nan 4.420 nan 0.000 0.230 697 P C 0.142 177.049 177.300 -0.655 0.000 1.158 697 P CA 0.960 63.285 63.100 -1.293 0.000 0.769 697 P CB 1.413 32.572 31.700 -0.902 0.000 0.807 698 I N -0.461 119.933 120.570 -0.294 0.000 2.619 698 I HA 0.346 4.517 4.170 0.001 0.000 0.292 698 I C -0.674 175.377 176.117 -0.111 0.000 1.100 698 I CA -1.766 59.385 61.300 -0.248 0.000 1.043 698 I CB 2.779 40.619 38.000 -0.266 0.000 1.239 698 I HN -0.279 nan 8.210 nan 0.000 0.420 699 M N 9.333 128.870 119.600 -0.105 0.000 2.146 699 M HA 0.506 4.987 4.480 0.001 0.000 0.357 699 M C -2.496 173.748 176.300 -0.093 0.000 1.261 699 M CA -1.326 53.950 55.300 -0.040 0.000 1.106 699 M CB 1.040 33.650 32.600 0.016 0.000 1.612 699 M HN 0.239 nan 8.290 nan 0.000 0.470 700 P HA 0.098 nan 4.420 nan 0.000 0.271 700 P C -0.940 176.278 177.300 -0.137 0.000 1.216 700 P CA -0.034 63.018 63.100 -0.080 0.000 0.771 700 P CB 0.510 32.184 31.700 -0.043 0.000 0.864 701 T N 3.890 118.354 114.554 -0.150 0.000 2.866 701 T HA 0.040 4.391 4.350 0.001 0.000 0.293 701 T C 0.229 174.759 174.700 -0.283 0.000 1.005 701 T CA 0.290 62.230 62.100 -0.267 0.000 1.162 701 T CB -0.173 68.558 68.868 -0.228 0.000 0.968 701 T HN 0.320 nan 8.240 nan 0.000 0.530 702 E N 2.288 122.220 120.200 -0.447 0.000 2.183 702 E HA 0.366 4.717 4.350 0.001 0.000 0.271 702 E C -0.873 175.448 176.600 -0.466 0.000 0.919 702 E CA -0.507 55.654 56.400 -0.398 0.000 0.781 702 E CB 1.646 30.991 29.700 -0.591 0.000 1.140 702 E HN 0.591 nan 8.360 nan 0.000 0.402 703 W N 1.204 122.365 121.300 -0.232 0.000 2.799 703 W HA 0.532 5.193 4.660 0.001 0.000 0.349 703 W C -0.345 175.931 176.519 -0.405 0.000 1.100 703 W CA -0.807 56.351 57.345 -0.312 0.000 1.174 703 W CB 1.400 30.673 29.460 -0.312 0.000 1.427 703 W HN 0.196 nan 8.180 nan 0.000 0.547 704 V N -0.636 119.141 119.914 -0.228 0.000 2.789 704 V HA 0.610 4.731 4.120 0.001 0.000 0.311 704 V C -0.838 175.001 176.094 -0.425 0.000 1.073 704 V CA -0.951 61.201 62.300 -0.246 0.000 0.921 704 V CB 1.731 33.559 31.823 0.008 0.000 1.009 704 V HN 0.629 nan 8.190 nan 0.000 0.426 705 H N 2.419 121.517 119.070 0.047 0.000 2.572 705 H HA 0.808 5.365 4.556 0.001 0.000 0.359 705 H C -0.174 175.118 175.328 -0.059 0.000 1.134 705 H CA 0.027 56.049 56.048 -0.043 0.000 1.187 705 H CB 2.347 32.059 29.762 -0.084 0.000 1.597 705 H HN 1.033 nan 8.280 nan 0.000 0.524 706 T N 0.062 114.608 114.554 -0.015 0.000 2.916 706 T HA 0.664 5.015 4.350 0.001 0.000 0.292 706 T C -0.787 173.834 174.700 -0.133 0.000 1.064 706 T CA -0.855 61.200 62.100 -0.073 0.000 1.011 706 T CB 2.019 70.810 68.868 -0.129 0.000 1.152 706 T HN 0.248 nan 8.240 nan 0.000 0.510 707 L N 0.530 121.679 121.223 -0.125 0.000 2.466 707 L HA 0.698 5.038 4.340 0.001 0.000 0.258 707 L C -1.729 175.082 176.870 -0.099 0.000 0.973 707 L CA -0.812 53.949 54.840 -0.132 0.000 0.826 707 L CB 2.297 44.300 42.059 -0.093 0.000 1.372 707 L HN 0.804 nan 8.230 nan 0.000 0.409 708 L N 3.731 124.904 121.223 -0.084 0.000 2.427 708 L HA 0.513 4.854 4.340 0.001 0.000 0.264 708 L C -0.852 176.068 176.870 0.084 0.000 0.989 708 L CA -0.599 54.270 54.840 0.048 0.000 0.865 708 L CB 1.403 43.501 42.059 0.064 0.000 1.209 708 L HN 0.484 nan 8.230 nan 0.000 0.430 709 K N 4.294 124.701 120.400 0.013 0.000 2.182 709 K HA 0.487 4.808 4.320 0.001 0.000 0.262 709 K C -2.549 173.789 176.600 -0.437 0.000 0.957 709 K CA -1.812 54.401 56.287 -0.123 0.000 0.842 709 K CB 1.825 34.310 32.500 -0.025 0.000 1.099 709 K HN 0.195 nan 8.250 nan 0.000 0.438 710 P HA -0.070 nan 4.420 nan 0.000 0.271 710 P C -0.969 176.174 177.300 -0.263 0.000 1.220 710 P CA -0.055 62.434 63.100 -1.018 0.000 0.768 710 P CB 0.540 31.855 31.700 -0.642 0.000 0.848 711 W N 6.040 127.154 121.300 -0.309 0.000 2.391 711 W HA 0.157 4.817 4.660 0.001 0.000 0.312 711 W C -0.260 176.233 176.519 -0.044 0.000 1.003 711 W CA -0.280 56.995 57.345 -0.116 0.000 1.375 711 W CB 0.033 29.446 29.460 -0.079 0.000 1.253 711 W HN 0.546 nan 8.180 nan 0.000 0.416 712 N N 3.676 122.321 118.700 -0.092 0.000 2.741 712 N HA -0.326 4.415 4.740 0.001 0.000 0.250 712 N C 0.343 175.850 175.510 -0.004 0.000 1.115 712 N CA 1.462 54.488 53.050 -0.040 0.000 0.724 712 N CB -1.939 36.564 38.487 0.027 0.000 1.090 712 N HN 0.525 nan 8.380 nan 0.000 0.558 713 F N -0.146 119.663 119.950 -0.235 0.000 2.293 713 F HA 0.198 4.726 4.527 0.001 0.000 0.297 713 F C 0.745 176.177 175.800 -0.614 0.000 1.089 713 F CA 0.752 58.490 58.000 -0.437 0.000 1.377 713 F CB 0.226 38.832 39.000 -0.657 0.000 1.051 713 F HN -0.025 nan 8.300 nan 0.000 0.511 714 F N -0.060 119.895 119.950 0.008 0.000 2.585 714 F HA 0.289 4.817 4.527 0.001 0.000 0.350 714 F C 1.202 176.950 175.800 -0.088 0.000 1.074 714 F CA -0.974 56.984 58.000 -0.070 0.000 1.032 714 F CB 0.267 39.232 39.000 -0.058 0.000 1.330 714 F HN -0.319 nan 8.300 nan 0.000 0.495 715 D N -0.507 119.976 120.400 0.138 0.000 2.407 715 D HA 0.104 4.745 4.640 0.001 0.000 0.208 715 D C -0.059 176.244 176.300 0.005 0.000 1.083 715 D CA 0.497 54.515 54.000 0.031 0.000 0.844 715 D CB 0.627 41.431 40.800 0.008 0.000 0.967 715 D HN 0.747 nan 8.370 nan 0.000 0.506 716 E N -1.342 118.869 120.200 0.017 0.000 2.402 716 E HA 0.205 4.556 4.350 0.001 0.000 0.270 716 E C -1.132 175.424 176.600 -0.073 0.000 1.131 716 E CA -0.822 55.551 56.400 -0.045 0.000 0.884 716 E CB 0.175 29.841 29.700 -0.058 0.000 1.564 716 E HN -0.330 nan 8.360 nan 0.000 0.456 717 T N 2.719 117.204 114.554 -0.115 0.000 2.738 717 T HA 0.029 4.380 4.350 0.001 0.000 0.277 717 T C -1.814 172.795 174.700 -0.151 0.000 0.981 717 T CA -0.313 61.704 62.100 -0.137 0.000 1.211 717 T CB 0.121 68.866 68.868 -0.205 0.000 0.932 717 T HN 0.309 nan 8.240 nan 0.000 0.522 718 P HA -0.075 nan 4.420 nan 0.000 0.219 718 P C 1.463 178.655 177.300 -0.181 0.000 1.146 718 P CA 0.875 63.742 63.100 -0.387 0.000 0.808 718 P CB 0.043 31.374 31.700 -0.615 0.000 0.779 719 T N -4.751 109.783 114.554 -0.034 0.000 3.145 719 T HA 0.207 4.558 4.350 0.001 0.000 0.255 719 T C 1.493 176.266 174.700 0.121 0.000 1.039 719 T CA -0.188 61.945 62.100 0.056 0.000 0.928 719 T CB -0.902 68.043 68.868 0.129 0.000 1.029 719 T HN -0.019 nan 8.240 nan 0.000 0.554 720 L N 1.165 122.418 121.223 0.051 0.000 2.127 720 L HA 0.198 4.539 4.340 0.001 0.000 0.211 720 L C 1.609 178.507 176.870 0.046 0.000 1.089 720 L CA 1.458 56.327 54.840 0.048 0.000 0.757 720 L CB -0.852 41.178 42.059 -0.048 0.000 0.899 720 L HN 0.786 nan 8.230 nan 0.000 0.434 721 G N -1.889 106.915 108.800 0.007 0.000 2.423 721 G HA2 0.092 4.053 3.960 0.001 0.000 0.684 721 G HA3 0.092 4.053 3.960 0.001 0.000 0.684 721 G C -0.684 174.206 174.900 -0.015 0.000 1.309 721 G CA -0.615 44.483 45.100 -0.003 0.000 0.950 721 G HN 0.332 nan 8.290 nan 0.000 0.587 722 A N -0.311 122.499 122.820 -0.017 0.000 2.488 722 A HA 0.568 4.888 4.320 0.001 0.000 0.249 722 A C 0.596 178.173 177.584 -0.012 0.000 1.083 722 A CA 0.120 52.147 52.037 -0.016 0.000 0.768 722 A CB 0.675 19.664 19.000 -0.017 0.000 1.017 722 A HN 1.987 nan 8.150 nan 0.000 0.496 723 L N 2.518 123.734 121.223 -0.013 0.000 2.477 723 L HA 0.111 4.451 4.340 0.001 0.000 0.272 723 L C 1.511 178.375 176.870 -0.010 0.000 1.157 723 L CA 0.644 55.477 54.840 -0.012 0.000 0.889 723 L CB 0.248 42.299 42.059 -0.012 0.000 1.158 723 L HN 0.893 nan 8.230 nan 0.000 0.473 724 K N 3.425 123.820 120.400 -0.009 0.000 2.103 724 K HA -0.006 4.314 4.320 0.001 0.000 0.204 724 K C 0.246 176.841 176.600 -0.008 0.000 1.052 724 K CA 1.126 57.408 56.287 -0.008 0.000 0.945 724 K CB 0.331 32.827 32.500 -0.006 0.000 0.722 724 K HN 0.613 nan 8.250 nan 0.000 0.443 725 K N 0.000 120.395 120.400 -0.009 0.000 2.780 725 K HA 0.000 4.321 4.320 0.001 0.000 0.191 725 K CA 0.000 56.282 56.287 -0.009 0.000 0.838 725 K CB 0.000 32.495 32.500 -0.008 0.000 1.064 725 K HN 0.000 nan 8.250 nan 0.000 0.543