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 1dyu_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 0.000 175.336 175.328 0.014 0.000 0.993 6 H CA 0.000 56.041 56.048 -0.012 0.000 1.023 6 H CB 0.000 29.760 29.762 -0.003 0.000 1.292 7 M N 0.936 120.313 119.600 -0.371 0.000 2.755 7 M HA 0.500 4.981 4.480 0.001 0.000 0.273 7 M C -1.230 174.984 176.300 -0.143 0.000 1.278 7 M CA -1.147 53.965 55.300 -0.313 0.000 0.819 7 M CB 3.311 35.860 32.600 -0.085 0.000 1.694 7 M HN 0.440 nan 8.290 nan 0.000 0.460 8 V N 1.968 121.878 119.914 -0.005 0.000 2.960 8 V HA 0.679 4.800 4.120 0.001 0.000 0.315 8 V C -2.386 173.728 176.094 0.034 0.000 1.087 8 V CA -2.207 60.155 62.300 0.104 0.000 0.982 8 V CB 2.791 34.596 31.823 -0.031 0.000 1.039 8 V HN 0.607 nan 8.190 nan 0.000 0.437 9 P HA 0.072 nan 4.420 nan 0.000 0.270 9 P C 0.615 177.611 177.300 -0.508 0.000 1.242 9 P CA 0.327 62.914 63.100 -0.856 0.000 0.768 9 P CB 0.704 31.886 31.700 -0.863 0.000 0.820 10 M N 3.652 122.928 119.600 -0.541 0.000 2.082 10 M HA -0.268 4.212 4.480 0.001 0.000 0.258 10 M C 1.043 177.134 176.300 -0.349 0.000 1.071 10 M CA 2.324 57.346 55.300 -0.462 0.000 1.103 10 M CB -0.579 31.657 32.600 -0.607 0.000 1.307 10 M HN 0.156 nan 8.290 nan 0.000 0.409 11 D N 0.115 120.319 120.400 -0.328 0.000 2.106 11 D HA -0.207 4.433 4.640 0.001 0.000 0.191 11 D C 1.904 178.117 176.300 -0.145 0.000 0.997 11 D CA 1.710 55.594 54.000 -0.194 0.000 0.834 11 D CB -0.155 40.554 40.800 -0.152 0.000 0.956 11 D HN 0.358 nan 8.370 nan 0.000 0.448 12 K N -0.319 119.974 120.400 -0.178 0.000 1.987 12 K HA -0.175 4.146 4.320 0.001 0.000 0.216 12 K C 2.014 178.565 176.600 -0.082 0.000 1.051 12 K CA 1.977 58.190 56.287 -0.122 0.000 0.942 12 K CB -0.250 32.166 32.500 -0.140 0.000 0.722 12 K HN 0.102 nan 8.250 nan 0.000 0.444 13 T N 2.011 116.504 114.554 -0.101 0.000 2.635 13 T HA -0.182 4.169 4.350 0.001 0.000 0.267 13 T C 1.896 176.600 174.700 0.007 0.000 1.040 13 T CA 1.645 63.715 62.100 -0.050 0.000 1.156 13 T CB -0.303 68.516 68.868 -0.081 0.000 0.863 13 T HN 0.153 nan 8.240 nan 0.000 0.430 14 L N 0.116 121.332 121.223 -0.011 0.000 2.012 14 L HA -0.152 4.189 4.340 0.001 0.000 0.210 14 L C 2.713 179.636 176.870 0.088 0.000 1.073 14 L CA 1.276 56.164 54.840 0.079 0.000 0.748 14 L CB -0.400 41.688 42.059 0.049 0.000 0.891 14 L HN 0.105 nan 8.230 nan 0.000 0.431 15 K N 0.088 120.501 120.400 0.022 0.000 2.032 15 K HA -0.160 4.160 4.320 0.001 0.000 0.209 15 K C 2.022 178.627 176.600 0.007 0.000 1.048 15 K CA 1.232 57.522 56.287 0.005 0.000 0.927 15 K CB -0.429 32.064 32.500 -0.011 0.000 0.712 15 K HN 0.284 nan 8.250 nan 0.000 0.441 16 E N -0.145 120.068 120.200 0.022 0.000 2.070 16 E HA -0.221 4.130 4.350 0.001 0.000 0.197 16 E C 1.982 178.617 176.600 0.058 0.000 1.004 16 E CA 1.065 57.483 56.400 0.029 0.000 0.805 16 E CB -0.509 29.211 29.700 0.033 0.000 0.744 16 E HN 0.331 nan 8.360 nan 0.000 0.451 17 F N 1.146 121.048 119.950 -0.080 0.000 2.333 17 F HA 0.019 4.547 4.527 0.001 0.000 0.300 17 F C 1.419 177.144 175.800 -0.125 0.000 1.083 17 F CA 1.633 59.566 58.000 -0.112 0.000 1.395 17 F CB 0.007 38.913 39.000 -0.156 0.000 1.056 17 F HN 0.171 nan 8.300 nan 0.000 0.529 18 G N 0.058 108.736 108.800 -0.204 0.000 2.134 18 G HA2 0.008 3.969 3.960 0.001 0.000 0.209 18 G HA3 0.008 3.969 3.960 0.001 0.000 0.209 18 G C 0.153 174.886 174.900 -0.278 0.000 0.993 18 G CA -0.026 44.910 45.100 -0.273 0.000 0.669 18 G HN 0.861 nan 8.290 nan 0.000 0.519 19 A N -0.281 122.436 122.820 -0.173 0.000 2.295 19 A HA 0.692 5.013 4.320 0.001 0.000 0.318 19 A C 0.005 177.597 177.584 0.013 0.000 1.134 19 A CA 0.245 52.236 52.037 -0.077 0.000 0.827 19 A CB 0.877 19.903 19.000 0.044 0.000 1.136 19 A HN 0.504 nan 8.150 nan 0.000 0.493 20 D N 0.620 121.047 120.400 0.045 0.000 2.304 20 D HA 0.427 5.068 4.640 0.001 0.000 0.250 20 D C -0.758 175.601 176.300 0.099 0.000 1.107 20 D CA 0.266 54.301 54.000 0.059 0.000 0.885 20 D CB 0.973 41.808 40.800 0.059 0.000 1.192 20 D HN 0.176 nan 8.370 nan 0.000 0.436 21 V N 4.173 124.152 119.914 0.107 0.000 2.444 21 V HA 0.376 4.497 4.120 0.001 0.000 0.294 21 V C -0.494 175.724 176.094 0.207 0.000 1.022 21 V CA -0.750 61.649 62.300 0.165 0.000 0.850 21 V CB 1.290 33.196 31.823 0.138 0.000 0.992 21 V HN 0.523 nan 8.190 nan 0.000 0.426 22 Q N 4.181 124.131 119.800 0.249 0.000 2.330 22 Q HA 0.425 4.766 4.340 0.001 0.000 0.269 22 Q C -1.075 175.092 176.000 0.279 0.000 1.022 22 Q CA -0.243 55.687 55.803 0.213 0.000 0.796 22 Q CB 2.776 31.581 28.738 0.113 0.000 1.271 22 Q HN 0.864 nan 8.270 nan 0.000 0.450 23 W N 4.124 125.406 121.300 -0.029 0.000 2.376 23 W HA 0.365 5.026 4.660 0.001 0.000 0.312 23 W C -1.314 175.090 176.519 -0.192 0.000 1.060 23 W CA -0.551 56.623 57.345 -0.286 0.000 1.221 23 W CB 1.343 30.618 29.460 -0.308 0.000 1.281 23 W HN 0.620 nan 8.180 nan 0.000 0.456 24 D N 4.662 124.430 120.400 -1.053 0.000 2.441 24 D HA 0.043 4.684 4.640 0.001 0.000 0.231 24 D C 0.504 176.036 176.300 -1.281 0.000 1.073 24 D CA -0.054 53.452 54.000 -0.823 0.000 0.850 24 D CB 1.310 41.840 40.800 -0.449 0.000 1.062 24 D HN 0.469 nan 8.370 nan 0.000 0.524 25 D N 2.322 122.153 120.400 -0.948 0.000 2.178 25 D HA -0.224 4.417 4.640 0.001 0.000 0.201 25 D C 1.446 177.588 176.300 -0.263 0.000 0.980 25 D CA 1.035 54.707 54.000 -0.547 0.000 0.842 25 D CB 0.042 40.783 40.800 -0.099 0.000 0.948 25 D HN 0.530 nan 8.370 nan 0.000 0.472 26 Y N 0.442 120.560 120.300 -0.303 0.000 2.184 26 Y HA 0.066 4.617 4.550 0.001 0.000 0.290 26 Y C 1.993 177.774 175.900 -0.199 0.000 1.129 26 Y CA 1.740 59.728 58.100 -0.186 0.000 1.144 26 Y CB -0.427 37.946 38.460 -0.145 0.000 0.995 26 Y HN -0.019 nan 8.280 nan 0.000 0.513 27 A N -0.711 121.973 122.820 -0.227 0.000 2.169 27 A HA 0.026 4.347 4.320 0.001 0.000 0.212 27 A C 0.729 178.116 177.584 -0.328 0.000 1.153 27 A CA 0.695 52.562 52.037 -0.284 0.000 0.756 27 A CB -0.205 18.702 19.000 -0.155 0.000 0.813 27 A HN 0.537 nan 8.150 nan 0.000 0.471 28 Q N -2.175 117.326 119.800 -0.497 0.000 2.463 28 Q HA -0.198 4.143 4.340 0.001 0.000 0.299 28 Q C -0.802 174.988 176.000 -0.351 0.000 1.353 28 Q CA 0.913 56.445 55.803 -0.452 0.000 0.828 28 Q CB -2.040 26.653 28.738 -0.076 0.000 1.157 28 Q HN 0.576 nan 8.270 nan 0.000 0.436 29 L N -0.356 120.491 121.223 -0.626 0.000 2.408 29 L HA 0.700 5.041 4.340 0.001 0.000 0.268 29 L C -1.032 175.705 176.870 -0.221 0.000 0.986 29 L CA -0.543 54.154 54.840 -0.237 0.000 0.820 29 L CB 1.384 43.355 42.059 -0.147 0.000 1.303 29 L HN 0.011 nan 8.230 nan 0.000 0.411 30 F N 1.826 121.892 119.950 0.193 0.000 2.422 30 F HA 0.649 5.177 4.527 0.001 0.000 0.333 30 F C 0.329 176.182 175.800 0.088 0.000 1.095 30 F CA -0.257 57.882 58.000 0.231 0.000 1.038 30 F CB 2.223 41.368 39.000 0.243 0.000 1.156 30 F HN 0.344 nan 8.300 nan 0.000 0.483 31 T N 5.102 119.800 114.554 0.241 0.000 2.815 31 T HA 0.609 4.960 4.350 0.001 0.000 0.289 31 T C -0.637 174.098 174.700 0.058 0.000 1.000 31 T CA -0.551 61.566 62.100 0.029 0.000 0.958 31 T CB 0.544 69.373 68.868 -0.066 0.000 0.944 31 T HN 0.281 nan 8.240 nan 0.000 0.442 32 L N 4.491 125.724 121.223 0.018 0.000 2.341 32 L HA 0.678 5.018 4.340 0.001 0.000 0.278 32 L C -0.593 176.339 176.870 0.102 0.000 1.005 32 L CA -0.958 53.971 54.840 0.149 0.000 0.818 32 L CB 1.682 43.942 42.059 0.335 0.000 1.259 32 L HN 0.493 nan 8.230 nan 0.000 0.418 33 I N 3.310 123.966 120.570 0.143 0.000 2.498 33 I HA 0.453 4.623 4.170 0.001 0.000 0.290 33 I C -0.592 175.641 176.117 0.193 0.000 1.032 33 I CA -0.648 60.749 61.300 0.160 0.000 1.073 33 I CB 2.224 40.290 38.000 0.111 0.000 1.251 33 I HN 0.474 nan 8.210 nan 0.000 0.426 34 K N 6.087 126.644 120.400 0.263 0.000 2.695 34 K HA 0.336 4.656 4.320 0.001 0.000 0.255 34 K C -0.610 176.095 176.600 0.175 0.000 1.016 34 K CA -0.219 56.142 56.287 0.123 0.000 0.928 34 K CB 0.811 33.282 32.500 -0.048 0.000 1.235 34 K HN 0.654 nan 8.250 nan 0.000 0.467 35 D N 2.264 122.747 120.400 0.139 0.000 3.685 35 D HA -0.255 4.385 4.640 0.001 0.000 0.152 35 D C 0.907 177.342 176.300 0.226 0.000 0.966 35 D CA 2.142 56.260 54.000 0.196 0.000 1.085 35 D CB -1.017 39.925 40.800 0.236 0.000 0.521 35 D HN 0.692 nan 8.370 nan 0.000 0.543 36 G N 0.402 109.352 108.800 0.250 0.000 2.848 36 G HA2 0.354 4.315 3.960 0.001 0.000 0.208 36 G HA3 0.354 4.315 3.960 0.001 0.000 0.208 36 G C 0.331 175.350 174.900 0.199 0.000 1.152 36 G CA 1.059 46.267 45.100 0.179 0.000 0.789 36 G HN 0.631 nan 8.290 nan 0.000 0.531 37 A N -0.018 122.964 122.820 0.271 0.000 2.276 37 A HA 0.642 4.963 4.320 0.001 0.000 0.316 37 A C -1.581 176.182 177.584 0.299 0.000 1.229 37 A CA -0.700 51.500 52.037 0.271 0.000 0.851 37 A CB 0.769 19.994 19.000 0.375 0.000 1.165 37 A HN 0.274 nan 8.150 nan 0.000 0.513 38 Y N 3.272 123.635 120.300 0.105 0.000 2.447 38 Y HA 0.518 5.069 4.550 0.001 0.000 0.325 38 Y C -0.890 175.045 175.900 0.059 0.000 0.976 38 Y CA -0.475 57.684 58.100 0.099 0.000 1.280 38 Y CB 1.261 39.765 38.460 0.073 0.000 1.104 38 Y HN 0.469 nan 8.280 nan 0.000 0.486 39 V N 5.857 125.688 119.914 -0.139 0.000 2.667 39 V HA 0.525 4.646 4.120 0.001 0.000 0.308 39 V C -0.728 175.316 176.094 -0.083 0.000 1.048 39 V CA -1.144 61.100 62.300 -0.093 0.000 0.928 39 V CB 1.953 33.683 31.823 -0.155 0.000 1.004 39 V HN 0.571 nan 8.190 nan 0.000 0.444 40 K N 2.423 122.833 120.400 0.017 0.000 2.397 40 K HA 0.798 5.119 4.320 0.001 0.000 0.253 40 K C -1.662 175.012 176.600 0.122 0.000 0.932 40 K CA -0.669 55.662 56.287 0.075 0.000 0.795 40 K CB 2.602 35.157 32.500 0.091 0.000 1.159 40 K HN 0.422 nan 8.250 nan 0.000 0.424 41 V N 3.213 123.248 119.914 0.202 0.000 2.711 41 V HA 0.337 4.458 4.120 0.001 0.000 0.304 41 V C -1.679 174.596 176.094 0.302 0.000 1.097 41 V CA -0.758 61.683 62.300 0.234 0.000 0.906 41 V CB 1.880 33.862 31.823 0.266 0.000 1.015 41 V HN 0.664 nan 8.190 nan 0.000 0.427 42 K N 7.084 127.620 120.400 0.226 0.000 2.159 42 K HA 0.574 4.895 4.320 0.001 0.000 0.266 42 K C -2.681 174.069 176.600 0.251 0.000 0.975 42 K CA -1.791 54.636 56.287 0.233 0.000 0.865 42 K CB 1.679 34.257 32.500 0.130 0.000 1.087 42 K HN 0.439 nan 8.250 nan 0.000 0.446 43 P HA -0.088 nan 4.420 nan 0.000 0.265 43 P C 0.692 178.083 177.300 0.152 0.000 1.187 43 P CA 0.841 64.086 63.100 0.241 0.000 0.766 43 P CB 0.525 32.377 31.700 0.253 0.000 0.820 44 G N 1.276 110.143 108.800 0.111 0.000 2.257 44 G HA2 -0.269 3.692 3.960 0.001 0.000 0.267 44 G HA3 -0.269 3.692 3.960 0.001 0.000 0.267 44 G C 0.514 175.459 174.900 0.075 0.000 0.984 44 G CA 0.219 45.367 45.100 0.080 0.000 0.626 44 G HN 0.882 nan 8.290 nan 0.000 0.540 45 A N -0.304 122.570 122.820 0.091 0.000 2.351 45 A HA 0.656 4.977 4.320 0.001 0.000 0.257 45 A C 1.172 178.799 177.584 0.071 0.000 1.087 45 A CA 0.504 52.586 52.037 0.076 0.000 0.798 45 A CB 0.396 19.447 19.000 0.084 0.000 1.033 45 A HN 0.249 nan 8.150 nan 0.000 0.488 46 Q N -0.075 119.757 119.800 0.053 0.000 2.360 46 Q HA 0.063 4.403 4.340 0.001 0.000 0.202 46 Q C 0.426 176.449 176.000 0.039 0.000 0.915 46 Q CA 0.971 56.800 55.803 0.044 0.000 0.943 46 Q CB 0.305 29.062 28.738 0.031 0.000 1.064 46 Q HN 0.931 nan 8.270 nan 0.000 0.511 47 T N -2.875 111.705 114.554 0.044 0.000 2.896 47 T HA 0.806 5.156 4.350 0.001 0.000 0.297 47 T C -1.137 173.590 174.700 0.046 0.000 1.108 47 T CA -0.520 61.599 62.100 0.032 0.000 1.004 47 T CB 2.437 71.317 68.868 0.021 0.000 1.159 47 T HN 0.018 nan 8.240 nan 0.000 0.499 48 A N 2.055 124.891 122.820 0.027 0.000 2.485 48 A HA 0.846 5.167 4.320 0.001 0.000 0.292 48 A C -1.128 176.461 177.584 0.009 0.000 1.147 48 A CA -0.985 51.073 52.037 0.036 0.000 0.750 48 A CB 1.325 20.339 19.000 0.022 0.000 1.331 48 A HN 0.802 nan 8.150 nan 0.000 0.419 49 I N 1.251 121.832 120.570 0.018 0.000 2.406 49 I HA 0.446 4.617 4.170 0.001 0.000 0.290 49 I C -0.816 175.305 176.117 0.007 0.000 0.999 49 I CA -0.570 60.743 61.300 0.021 0.000 1.124 49 I CB 1.068 39.102 38.000 0.055 0.000 1.289 49 I HN 0.237 nan 8.210 nan 0.000 0.441 50 V N 6.273 126.182 119.914 -0.009 0.000 2.407 50 V HA 0.360 4.481 4.120 0.001 0.000 0.291 50 V C 0.500 176.614 176.094 0.033 0.000 1.018 50 V CA -0.776 61.512 62.300 -0.021 0.000 0.842 50 V CB 1.032 32.799 31.823 -0.092 0.000 0.996 50 V HN 0.897 nan 8.190 nan 0.000 0.426 51 N N 4.141 122.898 118.700 0.095 0.000 2.727 51 N HA -0.248 4.492 4.740 0.001 0.000 0.249 51 N C 1.139 176.677 175.510 0.048 0.000 1.048 51 N CA 0.462 53.562 53.050 0.084 0.000 0.714 51 N CB -0.657 37.863 38.487 0.055 0.000 0.959 51 N HN 1.358 nan 8.380 nan 0.000 0.544 52 G N -1.299 107.537 108.800 0.060 0.000 2.179 52 G HA2 -0.331 3.630 3.960 0.001 0.000 0.260 52 G HA3 -0.331 3.630 3.960 0.001 0.000 0.260 52 G C -0.139 174.775 174.900 0.024 0.000 0.977 52 G CA 0.466 45.588 45.100 0.036 0.000 0.641 52 G HN 0.412 nan 8.290 nan 0.000 0.533 53 Q N 0.632 120.443 119.800 0.018 0.000 2.309 53 Q HA 0.491 4.832 4.340 0.001 0.000 0.264 53 Q C -2.544 173.457 176.000 0.001 0.000 1.008 53 Q CA -1.955 53.852 55.803 0.007 0.000 0.853 53 Q CB 2.557 31.295 28.738 -0.000 0.000 1.314 53 Q HN 0.298 nan 8.270 nan 0.000 0.448 54 P HA 0.232 nan 4.420 nan 0.000 0.279 54 P C -0.882 176.408 177.300 -0.017 0.000 1.239 54 P CA -0.540 62.558 63.100 -0.003 0.000 0.789 54 P CB 0.809 32.510 31.700 0.002 0.000 0.933 55 L N 2.906 124.114 121.223 -0.026 0.000 2.406 55 L HA 0.681 5.022 4.340 0.001 0.000 0.272 55 L C -0.632 176.218 176.870 -0.032 0.000 0.980 55 L CA -0.975 53.838 54.840 -0.045 0.000 0.831 55 L CB 1.523 43.531 42.059 -0.086 0.000 1.253 55 L HN 0.450 nan 8.230 nan 0.000 0.406 56 A N 5.678 128.482 122.820 -0.026 0.000 2.371 56 A HA 0.707 5.027 4.320 0.001 0.000 0.257 56 A C -0.884 176.690 177.584 -0.017 0.000 1.089 56 A CA -0.250 51.780 52.037 -0.013 0.000 0.794 56 A CB 0.143 19.138 19.000 -0.008 0.000 1.029 56 A HN 0.729 nan 8.150 nan 0.000 0.488 57 L N 1.904 123.129 121.223 0.004 0.000 2.362 57 L HA 0.324 4.665 4.340 0.001 0.000 0.275 57 L C 0.955 177.840 176.870 0.025 0.000 0.998 57 L CA -0.517 54.332 54.840 0.016 0.000 0.820 57 L CB 1.837 43.931 42.059 0.058 0.000 1.270 57 L HN 0.972 nan 8.230 nan 0.000 0.415 58 Q N 1.509 121.323 119.800 0.022 0.000 2.020 58 Q HA 0.029 4.370 4.340 0.001 0.000 0.198 58 Q C 0.085 176.105 176.000 0.032 0.000 0.974 58 Q CA 0.884 56.700 55.803 0.022 0.000 0.829 58 Q CB 0.035 28.783 28.738 0.015 0.000 0.894 58 Q HN 0.448 nan 8.270 nan 0.000 0.433 59 V N 3.766 123.708 119.914 0.046 0.000 2.348 59 V HA 0.235 4.356 4.120 0.001 0.000 0.270 59 V C -2.194 173.948 176.094 0.079 0.000 1.037 59 V CA -1.699 60.632 62.300 0.052 0.000 0.872 59 V CB 0.628 32.480 31.823 0.048 0.000 1.002 59 V HN 0.102 nan 8.190 nan 0.000 0.464 60 P HA 0.187 nan 4.420 nan 0.000 0.272 60 P C -0.218 177.117 177.300 0.058 0.000 1.230 60 P CA -0.302 62.844 63.100 0.078 0.000 0.788 60 P CB 0.580 32.318 31.700 0.063 0.000 0.949 61 V N 2.259 122.205 119.914 0.054 0.000 2.585 61 V HA 0.039 4.160 4.120 0.001 0.000 0.296 61 V C 0.382 176.496 176.094 0.033 0.000 1.035 61 V CA 0.233 62.514 62.300 -0.031 0.000 1.084 61 V CB 0.849 32.626 31.823 -0.077 0.000 0.953 61 V HN 0.210 nan 8.190 nan 0.000 0.483 62 V N 6.746 126.684 119.914 0.040 0.000 2.459 62 V HA 0.426 4.546 4.120 0.001 0.000 0.295 62 V C 0.037 176.215 176.094 0.141 0.000 1.029 62 V CA -0.636 61.712 62.300 0.081 0.000 0.874 62 V CB 1.633 33.489 31.823 0.054 0.000 0.985 62 V HN 0.826 nan 8.190 nan 0.000 0.438 63 M N 6.078 125.740 119.600 0.104 0.000 2.180 63 M HA 0.496 4.976 4.480 0.001 0.000 0.350 63 M C -0.643 175.714 176.300 0.095 0.000 1.125 63 M CA -0.291 55.061 55.300 0.088 0.000 1.031 63 M CB 0.641 33.264 32.600 0.038 0.000 1.623 63 M HN 0.496 nan 8.290 nan 0.000 0.451 64 K N 3.952 124.441 120.400 0.150 0.000 2.578 64 K HA 0.284 4.604 4.320 0.001 0.000 0.250 64 K C -0.851 175.815 176.600 0.110 0.000 0.955 64 K CA -0.617 55.734 56.287 0.106 0.000 0.825 64 K CB 1.432 33.970 32.500 0.063 0.000 1.151 64 K HN 0.744 nan 8.250 nan 0.000 0.432 65 D N 2.215 122.648 120.400 0.055 0.000 2.997 65 D HA -0.250 4.391 4.640 0.001 0.000 0.226 65 D C -0.093 176.227 176.300 0.034 0.000 1.189 65 D CA 1.203 55.229 54.000 0.044 0.000 0.834 65 D CB -0.534 40.298 40.800 0.052 0.000 1.105 65 D HN 0.864 nan 8.370 nan 0.000 0.415 66 N N -1.611 117.098 118.700 0.014 0.000 3.010 66 N HA -0.128 4.613 4.740 0.001 0.000 0.201 66 N C -0.428 175.035 175.510 -0.079 0.000 0.941 66 N CA 0.564 53.588 53.050 -0.043 0.000 1.048 66 N CB -0.572 37.899 38.487 -0.027 0.000 1.021 66 N HN 0.369 nan 8.380 nan 0.000 0.545 67 K N 0.775 121.174 120.400 -0.001 0.000 2.292 67 K HA 0.733 5.054 4.320 0.001 0.000 0.257 67 K C -0.331 176.232 176.600 -0.060 0.000 0.940 67 K CA -0.348 55.897 56.287 -0.069 0.000 0.811 67 K CB 2.065 34.580 32.500 0.025 0.000 1.120 67 K HN 0.153 nan 8.250 nan 0.000 0.428 68 A N 2.951 125.617 122.820 -0.256 0.000 2.310 68 A HA 0.603 4.923 4.320 0.001 0.000 0.299 68 A C -1.533 175.790 177.584 -0.435 0.000 1.147 68 A CA -0.393 51.525 52.037 -0.198 0.000 0.818 68 A CB 0.240 19.080 19.000 -0.267 0.000 1.096 68 A HN 0.680 nan 8.150 nan 0.000 0.495 69 W N 0.691 121.863 121.300 -0.213 0.000 2.915 69 W HA 0.547 5.207 4.660 0.001 0.000 0.337 69 W C -0.363 175.996 176.519 -0.266 0.000 1.102 69 W CA -0.510 56.707 57.345 -0.213 0.000 1.224 69 W CB 1.986 31.359 29.460 -0.145 0.000 1.416 69 W HN 0.751 nan 8.180 nan 0.000 0.503 70 V N -0.425 119.437 119.914 -0.087 0.000 3.141 70 V HA 0.783 4.904 4.120 0.001 0.000 0.312 70 V C 0.095 176.148 176.094 -0.069 0.000 1.157 70 V CA -1.201 60.984 62.300 -0.193 0.000 1.041 70 V CB 1.114 32.580 31.823 -0.596 0.000 1.071 70 V HN 0.559 nan 8.190 nan 0.000 0.441 71 S N 0.927 116.623 115.700 -0.007 0.000 2.579 71 S HA 0.062 4.533 4.470 0.001 0.000 0.275 71 S C 0.979 175.576 174.600 -0.005 0.000 1.345 71 S CA 0.486 58.683 58.200 -0.005 0.000 1.031 71 S CB 0.576 63.805 63.200 0.049 0.000 0.892 71 S HN 1.169 nan 8.310 nan 0.000 0.529 72 D N 1.537 121.891 120.400 -0.076 0.000 2.392 72 D HA -0.102 4.539 4.640 0.001 0.000 0.228 72 D C 1.211 177.519 176.300 0.015 0.000 1.003 72 D CA 1.277 55.248 54.000 -0.048 0.000 0.917 72 D CB -0.623 40.145 40.800 -0.053 0.000 0.890 72 D HN 0.644 nan 8.370 nan 0.000 0.532 73 T N -3.943 110.633 114.554 0.036 0.000 3.044 73 T HA 0.101 4.452 4.350 0.001 0.000 0.260 73 T C 1.402 176.127 174.700 0.040 0.000 1.019 73 T CA -0.610 61.505 62.100 0.026 0.000 0.921 73 T CB -0.713 68.164 68.868 0.015 0.000 1.053 73 T HN 0.030 nan 8.240 nan 0.000 0.533 74 F N 2.641 122.553 119.950 -0.063 0.000 2.065 74 F HA -0.017 4.511 4.527 0.001 0.000 0.298 74 F C 1.751 177.520 175.800 -0.052 0.000 1.112 74 F CA 1.298 59.263 58.000 -0.059 0.000 1.212 74 F CB -0.431 38.531 39.000 -0.062 0.000 0.975 74 F HN 0.096 nan 8.300 nan 0.000 0.476 75 I N 0.567 121.209 120.570 0.119 0.000 2.163 75 I HA -0.388 3.783 4.170 0.001 0.000 0.243 75 I C 2.169 178.215 176.117 -0.118 0.000 1.085 75 I CA 1.711 62.974 61.300 -0.062 0.000 1.347 75 I CB -0.641 37.115 38.000 -0.407 0.000 1.044 75 I HN 0.281 nan 8.210 nan 0.000 0.408 76 N N 0.524 119.157 118.700 -0.113 0.000 2.171 76 N HA -0.148 4.593 4.740 0.001 0.000 0.184 76 N C 1.355 176.808 175.510 -0.094 0.000 1.021 76 N CA 1.279 54.284 53.050 -0.074 0.000 0.854 76 N CB -0.310 38.148 38.487 -0.048 0.000 0.994 76 N HN 0.347 nan 8.380 nan 0.000 0.426 77 D N 0.834 121.149 120.400 -0.142 0.000 2.149 77 D HA -0.081 4.560 4.640 0.001 0.000 0.198 77 D C 2.089 178.234 176.300 -0.258 0.000 0.990 77 D CA 0.639 54.537 54.000 -0.171 0.000 0.839 77 D CB -0.081 40.611 40.800 -0.180 0.000 0.948 77 D HN 0.064 nan 8.370 nan 0.000 0.460 78 V N -0.036 119.621 119.914 -0.430 0.000 2.326 78 V HA -0.099 4.021 4.120 0.001 0.000 0.238 78 V C 2.062 177.873 176.094 -0.473 0.000 1.038 78 V CA 0.930 62.880 62.300 -0.582 0.000 1.032 78 V CB -0.648 30.541 31.823 -1.056 0.000 0.675 78 V HN 0.013 nan 8.190 nan 0.000 0.467 79 F N 0.055 119.899 119.950 -0.177 0.000 2.234 79 F HA -0.114 4.414 4.527 0.001 0.000 0.299 79 F C 2.200 178.002 175.800 0.002 0.000 1.087 79 F CA 1.118 59.105 58.000 -0.022 0.000 1.340 79 F CB -0.259 38.792 39.000 0.084 0.000 1.031 79 F HN 0.172 nan 8.300 nan 0.000 0.500 80 Q N -0.428 119.427 119.800 0.092 0.000 2.204 80 Q HA 0.061 4.401 4.340 0.001 0.000 0.209 80 Q C 2.051 178.057 176.000 0.009 0.000 0.861 80 Q CA 0.321 56.161 55.803 0.062 0.000 0.971 80 Q CB -0.036 28.726 28.738 0.040 0.000 1.095 80 Q HN 0.314 nan 8.270 nan 0.000 0.486 81 S N -1.239 114.441 115.700 -0.034 0.000 2.383 81 S HA -0.102 4.369 4.470 0.001 0.000 0.229 81 S C 1.697 176.287 174.600 -0.016 0.000 1.030 81 S CA 1.335 59.507 58.200 -0.048 0.000 1.002 81 S CB -0.197 62.948 63.200 -0.092 0.000 0.829 81 S HN 0.521 nan 8.310 nan 0.000 0.467 82 G N 0.418 109.223 108.800 0.008 0.000 2.231 82 G HA2 -0.178 3.783 3.960 0.001 0.000 0.206 82 G HA3 -0.178 3.783 3.960 0.001 0.000 0.206 82 G C 0.677 175.588 174.900 0.019 0.000 0.996 82 G CA 0.194 45.308 45.100 0.022 0.000 0.645 82 G HN 0.475 nan 8.290 nan 0.000 0.498 83 L N 0.901 122.125 121.223 0.001 0.000 2.313 83 L HA 0.176 4.517 4.340 0.001 0.000 0.214 83 L C 1.097 177.979 176.870 0.020 0.000 1.119 83 L CA 0.963 55.803 54.840 0.000 0.000 0.809 83 L CB -0.031 42.014 42.059 -0.023 0.000 0.933 83 L HN 0.282 nan 8.230 nan 0.000 0.449 84 D N 0.418 120.842 120.400 0.040 0.000 2.365 84 D HA 0.018 4.659 4.640 0.001 0.000 0.237 84 D C 0.575 176.927 176.300 0.088 0.000 1.190 84 D CA 0.038 54.084 54.000 0.078 0.000 0.867 84 D CB 0.959 41.839 40.800 0.132 0.000 1.050 84 D HN 0.128 nan 8.370 nan 0.000 0.491 85 Q N 2.426 122.261 119.800 0.058 0.000 2.280 85 Q HA 0.025 4.366 4.340 0.001 0.000 0.201 85 Q C 1.229 177.251 176.000 0.037 0.000 0.890 85 Q CA 0.040 55.874 55.803 0.052 0.000 0.947 85 Q CB 0.379 29.130 28.738 0.022 0.000 1.081 85 Q HN 0.522 nan 8.270 nan 0.000 0.502 86 T N 0.895 115.464 114.554 0.026 0.000 2.653 86 T HA -0.143 4.208 4.350 0.001 0.000 0.268 86 T C 0.334 174.923 174.700 -0.185 0.000 1.035 86 T CA 1.341 63.376 62.100 -0.108 0.000 1.154 86 T CB -0.113 68.691 68.868 -0.106 0.000 0.862 86 T HN 0.119 nan 8.240 nan 0.000 0.441 87 F N 1.533 121.521 119.950 0.063 0.000 2.420 87 F HA 0.479 5.006 4.527 0.001 0.000 0.342 87 F C 0.491 176.316 175.800 0.041 0.000 1.113 87 F CA -0.957 57.076 58.000 0.055 0.000 1.059 87 F CB 1.099 40.133 39.000 0.057 0.000 1.128 87 F HN -0.125 nan 8.300 nan 0.000 0.475 88 Q N 2.133 122.049 119.800 0.194 0.000 2.413 88 Q HA 0.504 4.845 4.340 0.001 0.000 0.276 88 Q C -0.826 175.242 176.000 0.114 0.000 1.099 88 Q CA -1.098 54.777 55.803 0.121 0.000 0.814 88 Q CB 2.693 31.472 28.738 0.069 0.000 1.379 88 Q HN 0.535 nan 8.270 nan 0.000 0.436 89 V N -1.426 118.538 119.914 0.083 0.000 2.555 89 V HA 0.280 4.401 4.120 0.001 0.000 0.286 89 V C 0.236 176.371 176.094 0.068 0.000 1.044 89 V CA -0.554 61.788 62.300 0.071 0.000 1.026 89 V CB 0.730 32.586 31.823 0.054 0.000 0.981 89 V HN 0.796 nan 8.190 nan 0.000 0.480 90 E N 3.531 123.775 120.200 0.074 0.000 2.259 90 E HA 0.218 4.569 4.350 0.001 0.000 0.281 90 E C 0.551 177.200 176.600 0.081 0.000 1.037 90 E CA -0.409 56.042 56.400 0.086 0.000 0.854 90 E CB 1.294 31.053 29.700 0.099 0.000 1.051 90 E HN 0.846 nan 8.360 nan 0.000 0.409 91 K N 3.771 124.221 120.400 0.082 0.000 2.017 91 K HA 0.050 4.371 4.320 0.001 0.000 0.207 91 K C 0.505 177.162 176.600 0.095 0.000 1.035 91 K CA 0.370 56.701 56.287 0.072 0.000 0.947 91 K CB 0.239 32.773 32.500 0.056 0.000 0.749 91 K HN 0.319 nan 8.250 nan 0.000 0.443 92 R N 2.360 122.938 120.500 0.131 0.000 2.220 92 R HA 0.172 4.512 4.340 0.001 0.000 0.340 92 R C -2.438 174.009 176.300 0.245 0.000 1.076 92 R CA -2.099 54.115 56.100 0.190 0.000 0.920 92 R CB 0.928 31.370 30.300 0.238 0.000 1.062 92 R HN 0.202 nan 8.270 nan 0.000 0.469 93 P HA -0.105 nan 4.420 nan 0.000 0.263 93 P C -0.798 176.490 177.300 -0.020 0.000 1.195 93 P CA 0.264 63.419 63.100 0.092 0.000 0.762 93 P CB 0.444 32.165 31.700 0.034 0.000 0.799 94 H N 6.483 125.508 119.070 -0.076 0.000 2.886 94 H HA 0.048 4.605 4.556 0.001 0.000 0.329 94 H C -0.907 174.155 175.328 -0.444 0.000 1.044 94 H CA -1.011 54.833 56.048 -0.340 0.000 1.456 94 H CB 0.712 30.466 29.762 -0.012 0.000 1.464 94 H HN 0.308 nan 8.280 nan 0.000 0.573 95 P HA -0.156 nan 4.420 nan 0.000 0.225 95 P C 0.797 177.959 177.300 -0.231 0.000 1.148 95 P CA 1.101 63.928 63.100 -0.455 0.000 0.779 95 P CB 0.373 31.744 31.700 -0.549 0.000 0.780 96 L N -1.212 119.936 121.223 -0.124 0.000 2.607 96 L HA 0.143 4.484 4.340 0.001 0.000 0.228 96 L C 0.727 177.512 176.870 -0.141 0.000 1.123 96 L CA -0.206 54.490 54.840 -0.241 0.000 0.890 96 L CB -0.717 41.047 42.059 -0.492 0.000 1.103 96 L HN -0.059 nan 8.230 nan 0.000 0.468 97 N N 1.083 119.800 118.700 0.028 0.000 2.458 97 N HA 0.182 4.923 4.740 0.001 0.000 0.258 97 N C 0.517 176.057 175.510 0.051 0.000 1.219 97 N CA -0.269 52.878 53.050 0.161 0.000 0.902 97 N CB 0.915 39.475 38.487 0.122 0.000 1.076 97 N HN 0.163 nan 8.380 nan 0.000 0.455 98 A N 2.812 125.658 122.820 0.044 0.000 2.455 98 A HA 0.093 4.413 4.320 0.001 0.000 0.244 98 A C 0.414 177.993 177.584 -0.008 0.000 1.099 98 A CA -0.177 51.860 52.037 -0.000 0.000 0.786 98 A CB 0.115 19.105 19.000 -0.017 0.000 1.051 98 A HN 0.628 nan 8.150 nan 0.000 0.508 99 L N 1.144 122.356 121.223 -0.018 0.000 2.453 99 L HA 0.196 4.536 4.340 0.001 0.000 0.272 99 L C 1.374 178.231 176.870 -0.022 0.000 1.182 99 L CA -0.190 54.637 54.840 -0.022 0.000 0.858 99 L CB 0.313 42.355 42.059 -0.028 0.000 1.120 99 L HN 0.974 nan 8.230 nan 0.000 0.474 100 T N -0.255 114.286 114.554 -0.021 0.000 2.754 100 T HA 0.304 4.654 4.350 0.001 0.000 0.286 100 T C 1.218 175.901 174.700 -0.028 0.000 0.997 100 T CA -0.185 61.903 62.100 -0.020 0.000 0.982 100 T CB 1.339 70.198 68.868 -0.016 0.000 1.027 100 T HN 0.630 nan 8.240 nan 0.000 0.529 101 A N 0.510 123.314 122.820 -0.027 0.000 1.933 101 A HA -0.074 4.247 4.320 0.001 0.000 0.218 101 A C 2.052 179.612 177.584 -0.040 0.000 1.175 101 A CA 1.616 53.633 52.037 -0.034 0.000 0.628 101 A CB -1.000 17.984 19.000 -0.028 0.000 0.814 101 A HN 0.894 nan 8.150 nan 0.000 0.444 102 D N -0.289 120.091 120.400 -0.032 0.000 2.097 102 D HA -0.119 4.522 4.640 0.001 0.000 0.197 102 D C 1.916 178.193 176.300 -0.040 0.000 0.984 102 D CA 1.421 55.401 54.000 -0.033 0.000 0.826 102 D CB -0.380 40.406 40.800 -0.024 0.000 0.973 102 D HN 0.638 nan 8.370 nan 0.000 0.460 103 E N 0.109 120.288 120.200 -0.036 0.000 2.110 103 E HA -0.097 4.253 4.350 0.001 0.000 0.193 103 E C 2.308 178.875 176.600 -0.055 0.000 0.988 103 E CA 0.346 56.723 56.400 -0.038 0.000 0.804 103 E CB 0.052 29.733 29.700 -0.031 0.000 0.745 103 E HN 0.304 nan 8.360 nan 0.000 0.458 104 I N 1.085 121.617 120.570 -0.065 0.000 2.202 104 I HA -0.277 3.894 4.170 0.001 0.000 0.242 104 I C 2.226 178.267 176.117 -0.126 0.000 1.091 104 I CA 1.187 62.429 61.300 -0.096 0.000 1.368 104 I CB -0.133 37.812 38.000 -0.092 0.000 1.058 104 I HN -0.006 nan 8.210 nan 0.000 0.410 105 K N 0.207 120.545 120.400 -0.103 0.000 2.152 105 K HA -0.260 4.060 4.320 0.001 0.000 0.206 105 K C 2.134 178.672 176.600 -0.102 0.000 1.048 105 K CA 1.300 57.522 56.287 -0.108 0.000 0.933 105 K CB -0.176 32.278 32.500 -0.077 0.000 0.721 105 K HN 0.393 nan 8.250 nan 0.000 0.447 106 Q N 0.345 120.098 119.800 -0.078 0.000 2.123 106 Q HA -0.085 4.255 4.340 0.001 0.000 0.199 106 Q C 1.985 177.948 176.000 -0.062 0.000 0.966 106 Q CA 1.113 56.880 55.803 -0.060 0.000 0.845 106 Q CB 0.018 28.732 28.738 -0.041 0.000 0.907 106 Q HN 0.313 nan 8.270 nan 0.000 0.439 107 A N 0.021 122.796 122.820 -0.076 0.000 1.898 107 A HA -0.095 4.225 4.320 0.001 0.000 0.216 107 A C 2.165 179.695 177.584 -0.089 0.000 1.181 107 A CA 1.272 53.272 52.037 -0.062 0.000 0.620 107 A CB -0.595 18.366 19.000 -0.065 0.000 0.819 107 A HN 0.283 nan 8.150 nan 0.000 0.442 108 V N 0.291 120.093 119.914 -0.186 0.000 2.343 108 V HA -0.267 3.854 4.120 0.001 0.000 0.247 108 V C 2.385 178.378 176.094 -0.167 0.000 1.051 108 V CA 2.337 64.477 62.300 -0.266 0.000 1.036 108 V CB -0.826 30.758 31.823 -0.399 0.000 0.654 108 V HN 0.671 nan 8.190 nan 0.000 0.451 109 E N -0.025 120.101 120.200 -0.124 0.000 2.106 109 E HA -0.156 4.195 4.350 0.001 0.000 0.192 109 E C 2.146 178.710 176.600 -0.059 0.000 0.984 109 E CA 1.302 57.644 56.400 -0.097 0.000 0.806 109 E CB -0.206 29.453 29.700 -0.069 0.000 0.750 109 E HN 0.545 nan 8.360 nan 0.000 0.458 110 I N 1.188 121.743 120.570 -0.025 0.000 2.286 110 I HA -0.246 3.924 4.170 0.001 0.000 0.248 110 I C 2.546 178.709 176.117 0.077 0.000 1.115 110 I CA 1.030 62.343 61.300 0.021 0.000 1.392 110 I CB -0.344 37.677 38.000 0.034 0.000 1.065 110 I HN 0.100 nan 8.210 nan 0.000 0.418 111 V N -1.839 118.145 119.914 0.117 0.000 2.488 111 V HA -0.109 4.011 4.120 0.001 0.000 0.246 111 V C 2.157 178.362 176.094 0.186 0.000 1.046 111 V CA 1.118 63.597 62.300 0.298 0.000 1.053 111 V CB -0.850 31.262 31.823 0.482 0.000 0.679 111 V HN 0.299 nan 8.190 nan 0.000 0.458 112 K N 1.433 121.747 120.400 -0.142 0.000 2.283 112 K HA 0.120 4.441 4.320 0.001 0.000 0.202 112 K C 2.117 178.678 176.600 -0.065 0.000 1.048 112 K CA 1.296 57.370 56.287 -0.355 0.000 0.948 112 K CB -0.338 31.851 32.500 -0.519 0.000 0.742 112 K HN 0.601 nan 8.250 nan 0.000 0.458 113 A N 1.187 123.995 122.820 -0.020 0.000 2.208 113 A HA 0.001 4.321 4.320 0.001 0.000 0.209 113 A C 1.063 178.647 177.584 -0.001 0.000 1.161 113 A CA 0.124 52.158 52.037 -0.006 0.000 0.782 113 A CB 0.036 19.032 19.000 -0.006 0.000 0.816 113 A HN 0.177 nan 8.150 nan 0.000 0.477 114 S N -0.823 114.885 115.700 0.014 0.000 2.586 114 S HA 0.489 4.960 4.470 0.001 0.000 0.274 114 S C 1.226 175.755 174.600 -0.118 0.000 1.281 114 S CA -0.001 58.148 58.200 -0.086 0.000 1.035 114 S CB 1.298 64.397 63.200 -0.167 0.000 0.962 114 S HN 0.787 nan 8.310 nan 0.000 0.512 115 A N 2.964 125.683 122.820 -0.169 0.000 2.186 115 A HA -0.035 4.286 4.320 0.001 0.000 0.219 115 A C 1.491 178.985 177.584 -0.151 0.000 1.159 115 A CA 1.489 53.448 52.037 -0.131 0.000 0.680 115 A CB -0.461 18.467 19.000 -0.120 0.000 0.787 115 A HN 0.899 nan 8.150 nan 0.000 0.467 116 D N -1.756 118.454 120.400 -0.317 0.000 2.327 116 D HA 0.077 4.718 4.640 0.001 0.000 0.205 116 D C 0.366 176.709 176.300 0.072 0.000 0.989 116 D CA -0.143 53.715 54.000 -0.237 0.000 0.873 116 D CB -0.107 40.304 40.800 -0.648 0.000 0.955 116 D HN 0.411 nan 8.370 nan 0.000 0.515 117 F N 2.540 122.532 119.950 0.071 0.000 2.646 117 F HA -0.099 4.428 4.527 0.000 0.000 0.363 117 F C 0.805 176.679 175.800 0.123 0.000 1.143 117 F CA 0.528 58.672 58.000 0.239 0.000 1.356 117 F CB 0.451 39.577 39.000 0.209 0.000 1.055 117 F HN -0.354 nan 8.300 nan 0.000 0.606 118 K N 5.798 125.951 120.400 -0.412 0.000 2.395 118 K HA 0.292 4.613 4.320 0.001 0.000 0.247 118 K C -2.230 174.234 176.600 -0.227 0.000 0.973 118 K CA -1.683 54.502 56.287 -0.169 0.000 0.828 118 K CB 1.545 33.965 32.500 -0.134 0.000 1.272 118 K HN 0.181 nan 8.250 nan 0.000 0.439 119 P HA -0.217 nan 4.420 nan 0.000 0.216 119 P C 0.604 177.928 177.300 0.039 0.000 1.153 119 P CA 1.519 64.672 63.100 0.088 0.000 0.858 119 P CB 0.108 31.848 31.700 0.067 0.000 0.789 120 N N -2.071 116.599 118.700 -0.050 0.000 2.383 120 N HA -0.014 4.727 4.740 0.001 0.000 0.192 120 N C -0.285 175.138 175.510 -0.144 0.000 1.141 120 N CA 0.441 53.463 53.050 -0.046 0.000 0.851 120 N CB -1.085 37.381 38.487 -0.035 0.000 0.976 120 N HN -0.027 nan 8.380 nan 0.000 0.465 121 T N 2.026 116.368 114.554 -0.354 0.000 2.817 121 T HA 0.134 4.484 4.350 0.001 0.000 0.295 121 T C 0.499 174.949 174.700 -0.417 0.000 0.958 121 T CA 0.065 61.827 62.100 -0.563 0.000 1.157 121 T CB 0.633 68.746 68.868 -1.259 0.000 0.898 121 T HN 0.209 nan 8.240 nan 0.000 0.536 122 R N 1.682 121.973 120.500 -0.350 0.000 2.782 122 R HA 0.600 4.941 4.340 0.001 0.000 0.258 122 R C -0.945 175.080 176.300 -0.459 0.000 1.055 122 R CA -0.730 55.238 56.100 -0.220 0.000 1.065 122 R CB 1.064 31.431 30.300 0.111 0.000 1.172 122 R HN 0.455 nan 8.270 nan 0.000 0.510 123 F N 0.057 120.105 119.950 0.163 0.000 2.403 123 F HA 0.190 4.717 4.527 0.001 0.000 0.355 123 F C 1.409 177.287 175.800 0.130 0.000 1.119 123 F CA -0.637 57.438 58.000 0.124 0.000 1.007 123 F CB 1.898 40.962 39.000 0.105 0.000 1.194 123 F HN 0.635 nan 8.300 nan 0.000 0.443 124 T N -1.642 113.037 114.554 0.208 0.000 2.942 124 T HA 0.040 4.391 4.350 0.001 0.000 0.265 124 T C 0.397 175.191 174.700 0.157 0.000 1.062 124 T CA 0.689 62.885 62.100 0.161 0.000 1.139 124 T CB 0.197 69.129 68.868 0.106 0.000 0.883 124 T HN 0.563 nan 8.240 nan 0.000 0.468 125 E N -0.406 119.894 120.200 0.167 0.000 2.347 125 E HA 0.539 4.890 4.350 0.001 0.000 0.285 125 E C -1.965 174.710 176.600 0.126 0.000 0.925 125 E CA -0.700 55.775 56.400 0.125 0.000 0.779 125 E CB 1.916 31.664 29.700 0.079 0.000 1.233 125 E HN 0.354 nan 8.360 nan 0.000 0.414 126 I N 3.062 123.680 120.570 0.080 0.000 2.493 126 I HA 0.354 4.525 4.170 0.001 0.000 0.279 126 I C -0.797 175.330 176.117 0.016 0.000 1.045 126 I CA -0.229 61.092 61.300 0.034 0.000 1.106 126 I CB 1.702 39.678 38.000 -0.039 0.000 1.216 126 I HN 0.285 nan 8.210 nan 0.000 0.459 127 S N 4.682 120.394 115.700 0.020 0.000 2.618 127 S HA 0.538 5.008 4.470 0.001 0.000 0.277 127 S C -0.835 173.766 174.600 0.003 0.000 1.138 127 S CA -0.643 57.562 58.200 0.008 0.000 0.844 127 S CB 2.364 65.576 63.200 0.019 0.000 1.127 127 S HN 0.454 nan 8.310 nan 0.000 0.474 128 L N 2.520 123.737 121.223 -0.010 0.000 2.485 128 L HA 0.395 4.736 4.340 0.001 0.000 0.275 128 L C -0.628 176.237 176.870 -0.009 0.000 1.207 128 L CA -0.122 54.709 54.840 -0.014 0.000 0.855 128 L CB 0.107 42.149 42.059 -0.028 0.000 1.114 128 L HN 0.569 nan 8.230 nan 0.000 0.485 129 L N 8.342 129.562 121.223 -0.005 0.000 2.257 129 L HA 0.601 4.941 4.340 0.001 0.000 0.290 129 L C -2.390 174.475 176.870 -0.007 0.000 1.044 129 L CA -2.360 52.480 54.840 0.001 0.000 0.810 129 L CB 0.452 42.516 42.059 0.009 0.000 1.193 129 L HN 0.556 nan 8.230 nan 0.000 0.425 130 P HA 0.280 nan 4.420 nan 0.000 0.276 130 P C -2.624 174.683 177.300 0.011 0.000 1.235 130 P CA -1.089 62.010 63.100 -0.003 0.000 0.772 130 P CB 0.048 31.760 31.700 0.021 0.000 0.871 131 P HA 0.009 nan 4.420 nan 0.000 0.271 131 P C -0.073 177.242 177.300 0.025 0.000 1.238 131 P CA 0.075 63.172 63.100 -0.004 0.000 0.794 131 P CB 0.267 31.943 31.700 -0.039 0.000 0.959 132 D N 0.906 121.319 120.400 0.023 0.000 2.399 132 D HA -0.040 4.601 4.640 0.001 0.000 0.241 132 D C 0.888 177.184 176.300 -0.006 0.000 1.133 132 D CA -0.291 53.728 54.000 0.031 0.000 0.890 132 D CB 0.958 41.777 40.800 0.032 0.000 1.201 132 D HN 0.391 nan 8.370 nan 0.000 0.432 133 K N 1.896 122.251 120.400 -0.075 0.000 2.113 133 K HA -0.290 4.031 4.320 0.001 0.000 0.208 133 K C 1.780 178.231 176.600 -0.250 0.000 1.047 133 K CA 1.671 57.726 56.287 -0.388 0.000 0.928 133 K CB -0.035 31.976 32.500 -0.815 0.000 0.716 133 K HN 0.597 nan 8.250 nan 0.000 0.446 134 E N -0.236 119.908 120.200 -0.094 0.000 2.110 134 E HA -0.172 4.178 4.350 0.001 0.000 0.193 134 E C 1.746 178.391 176.600 0.076 0.000 0.988 134 E CA 1.094 57.505 56.400 0.018 0.000 0.804 134 E CB -0.127 29.581 29.700 0.014 0.000 0.745 134 E HN 0.491 nan 8.360 nan 0.000 0.458 135 A N 0.157 123.006 122.820 0.048 0.000 1.968 135 A HA -0.062 4.258 4.320 0.001 0.000 0.217 135 A C 2.326 179.968 177.584 0.098 0.000 1.169 135 A CA 0.959 53.038 52.037 0.069 0.000 0.638 135 A CB -0.332 18.690 19.000 0.037 0.000 0.812 135 A HN 0.211 nan 8.150 nan 0.000 0.446 136 V N -2.119 117.833 119.914 0.063 0.000 2.358 136 V HA -0.279 3.842 4.120 0.001 0.000 0.246 136 V C 2.202 178.406 176.094 0.182 0.000 1.047 136 V CA 1.719 64.049 62.300 0.050 0.000 1.035 136 V CB -0.924 30.938 31.823 0.065 0.000 0.658 136 V HN 0.803 nan 8.190 nan 0.000 0.452 137 W N -0.223 121.163 121.300 0.143 0.000 2.388 137 W HA -0.060 4.601 4.660 0.001 0.000 0.294 137 W C 2.535 179.114 176.519 0.101 0.000 1.212 137 W CA 0.802 58.229 57.345 0.136 0.000 1.271 137 W CB -0.166 29.328 29.460 0.057 0.000 1.126 137 W HN 0.192 nan 8.180 nan 0.000 0.535 138 A N -0.413 122.595 122.820 0.314 0.000 1.972 138 A HA -0.216 4.104 4.320 0.001 0.000 0.219 138 A C 1.615 179.300 177.584 0.168 0.000 1.169 138 A CA 1.386 53.536 52.037 0.188 0.000 0.635 138 A CB -1.069 18.006 19.000 0.126 0.000 0.810 138 A HN 0.419 nan 8.150 nan 0.000 0.446 139 F N 0.880 120.866 119.950 0.060 0.000 2.098 139 F HA 0.057 4.584 4.527 0.001 0.000 0.294 139 F C 2.493 178.313 175.800 0.033 0.000 1.107 139 F CA 1.225 59.222 58.000 -0.005 0.000 1.234 139 F CB -0.538 38.396 39.000 -0.110 0.000 1.002 139 F HN 0.228 nan 8.300 nan 0.000 0.472 140 A N 0.724 123.728 122.820 0.307 0.000 1.908 140 A HA -0.143 4.178 4.320 0.001 0.000 0.218 140 A C 2.217 179.911 177.584 0.183 0.000 1.181 140 A CA 2.205 54.419 52.037 0.295 0.000 0.627 140 A CB -1.121 18.182 19.000 0.505 0.000 0.818 140 A HN 0.534 nan 8.150 nan 0.000 0.445 141 L N -2.122 119.224 121.223 0.205 0.000 2.253 141 L HA 0.073 4.413 4.340 0.001 0.000 0.205 141 L C 1.964 178.847 176.870 0.021 0.000 1.078 141 L CA 0.925 55.832 54.840 0.112 0.000 0.805 141 L CB -0.161 41.960 42.059 0.103 0.000 0.963 141 L HN 0.350 nan 8.230 nan 0.000 0.459 142 E N -0.950 119.251 120.200 0.002 0.000 2.526 142 E HA 0.060 4.411 4.350 0.001 0.000 0.208 142 E C 0.148 176.690 176.600 -0.096 0.000 0.997 142 E CA -0.159 56.221 56.400 -0.032 0.000 0.961 142 E CB 0.440 30.137 29.700 -0.005 0.000 1.030 142 E HN 0.225 nan 8.360 nan 0.000 0.483 143 N N 1.655 120.229 118.700 -0.209 0.000 2.828 143 N HA -0.200 4.541 4.740 0.001 0.000 0.248 143 N C -0.312 175.061 175.510 -0.228 0.000 1.044 143 N CA 0.813 53.629 53.050 -0.390 0.000 0.851 143 N CB -0.676 37.657 38.487 -0.257 0.000 1.136 143 N HN 0.202 nan 8.380 nan 0.000 0.572 144 K N 1.563 121.921 120.400 -0.071 0.000 2.416 144 K HA 0.170 4.490 4.320 0.001 0.000 0.283 144 K C -2.303 174.388 176.600 0.152 0.000 1.037 144 K CA -0.951 55.356 56.287 0.035 0.000 0.995 144 K CB 0.623 33.156 32.500 0.054 0.000 0.938 144 K HN -0.053 nan 8.250 nan 0.000 0.475 145 P HA -0.046 nan 4.420 nan 0.000 0.269 145 P C -1.072 176.308 177.300 0.132 0.000 1.215 145 P CA -0.377 62.837 63.100 0.190 0.000 0.780 145 P CB 0.625 32.391 31.700 0.111 0.000 0.898 146 V N 2.738 122.702 119.914 0.083 0.000 2.348 146 V HA 0.105 4.226 4.120 0.001 0.000 0.270 146 V C 0.567 176.667 176.094 0.010 0.000 1.037 146 V CA -0.041 62.271 62.300 0.020 0.000 0.872 146 V CB 0.589 32.374 31.823 -0.063 0.000 1.002 146 V HN 0.599 nan 8.190 nan 0.000 0.464 147 D N 2.619 123.030 120.400 0.018 0.000 2.434 147 D HA 0.057 4.697 4.640 0.001 0.000 0.232 147 D C 0.419 176.723 176.300 0.007 0.000 1.166 147 D CA -0.101 53.907 54.000 0.014 0.000 0.830 147 D CB 0.277 41.089 40.800 0.020 0.000 0.960 147 D HN 0.592 nan 8.370 nan 0.000 0.497 148 Q N 1.058 120.858 119.800 -0.001 0.000 2.309 148 Q HA 0.399 4.740 4.340 0.001 0.000 0.264 148 Q C -2.632 173.362 176.000 -0.009 0.000 1.008 148 Q CA -2.404 53.398 55.803 -0.001 0.000 0.853 148 Q CB 1.788 30.526 28.738 0.000 0.000 1.314 148 Q HN -0.065 nan 8.270 nan 0.000 0.448 149 P HA 0.100 nan 4.420 nan 0.000 0.271 149 P C -0.958 176.335 177.300 -0.012 0.000 1.220 149 P CA -0.097 62.999 63.100 -0.007 0.000 0.768 149 P CB 0.446 32.147 31.700 0.001 0.000 0.848 150 R N 3.213 123.702 120.500 -0.019 0.000 2.537 150 R HA 0.111 4.452 4.340 0.001 0.000 0.281 150 R C 0.436 176.729 176.300 -0.011 0.000 0.988 150 R CA 0.625 56.711 56.100 -0.023 0.000 1.077 150 R CB 0.116 30.401 30.300 -0.026 0.000 0.932 150 R HN 0.523 nan 8.270 nan 0.000 0.409 151 K N 0.795 121.189 120.400 -0.009 0.000 2.443 151 K HA 0.677 4.998 4.320 0.001 0.000 0.251 151 K C -1.047 175.553 176.600 0.001 0.000 0.972 151 K CA -0.854 55.434 56.287 0.001 0.000 0.833 151 K CB 2.583 35.087 32.500 0.008 0.000 1.317 151 K HN 0.608 nan 8.250 nan 0.000 0.441 152 A N 1.360 124.185 122.820 0.009 0.000 2.414 152 A HA 0.433 4.754 4.320 0.001 0.000 0.306 152 A C -1.367 176.232 177.584 0.025 0.000 1.054 152 A CA -0.756 51.286 52.037 0.009 0.000 0.724 152 A CB 1.065 20.065 19.000 0.000 0.000 1.267 152 A HN 0.625 nan 8.150 nan 0.000 0.418 153 D N 1.220 121.638 120.400 0.029 0.000 2.249 153 D HA 0.470 5.110 4.640 0.001 0.000 0.246 153 D C -0.849 175.485 176.300 0.057 0.000 1.114 153 D CA 0.288 54.313 54.000 0.043 0.000 0.854 153 D CB 1.765 42.591 40.800 0.044 0.000 1.132 153 D HN 0.157 nan 8.370 nan 0.000 0.461 154 V N 4.700 124.657 119.914 0.071 0.000 2.409 154 V HA 0.368 4.489 4.120 0.001 0.000 0.290 154 V C 0.231 176.389 176.094 0.107 0.000 1.017 154 V CA -0.703 61.668 62.300 0.119 0.000 0.841 154 V CB 1.455 33.367 31.823 0.148 0.000 1.003 154 V HN 0.367 nan 8.190 nan 0.000 0.426 155 I N 5.741 126.395 120.570 0.139 0.000 2.339 155 I HA 0.508 4.678 4.170 0.001 0.000 0.290 155 I C -0.120 176.048 176.117 0.084 0.000 0.994 155 I CA -0.183 61.172 61.300 0.092 0.000 1.191 155 I CB 1.566 39.642 38.000 0.127 0.000 1.343 155 I HN 0.458 nan 8.210 nan 0.000 0.458 156 M N 5.948 125.514 119.600 -0.057 0.000 2.644 156 M HA 0.493 4.974 4.480 0.001 0.000 0.316 156 M C -1.182 175.014 176.300 -0.174 0.000 1.200 156 M CA -0.948 54.244 55.300 -0.179 0.000 0.944 156 M CB 2.643 35.060 32.600 -0.306 0.000 1.691 156 M HN 0.320 nan 8.290 nan 0.000 0.471 157 L N 2.274 123.376 121.223 -0.202 0.000 2.353 157 L HA 0.369 4.710 4.340 0.001 0.000 0.270 157 L C -1.194 175.567 176.870 -0.182 0.000 1.003 157 L CA -0.216 54.534 54.840 -0.149 0.000 0.862 157 L CB 0.842 42.846 42.059 -0.091 0.000 1.221 157 L HN 0.505 nan 8.230 nan 0.000 0.430 158 D N 4.284 124.594 120.400 -0.150 0.000 2.479 158 D HA 0.532 5.172 4.640 0.001 0.000 0.218 158 D C 1.060 177.320 176.300 -0.067 0.000 1.131 158 D CA 0.953 54.876 54.000 -0.128 0.000 0.916 158 D CB 0.563 41.319 40.800 -0.074 0.000 1.022 158 D HN 0.826 nan 8.370 nan 0.000 0.515 159 G N 5.134 113.876 108.800 -0.096 0.000 3.274 159 G HA2 -0.378 3.583 3.960 0.001 0.000 0.313 159 G HA3 -0.378 3.583 3.960 0.001 0.000 0.313 159 G C 0.861 175.668 174.900 -0.155 0.000 1.295 159 G CA 0.798 45.841 45.100 -0.095 0.000 1.004 159 G HN 0.662 nan 8.290 nan 0.000 0.614 160 K N 0.984 121.207 120.400 -0.296 0.000 2.438 160 K HA 0.252 4.573 4.320 0.001 0.000 0.206 160 K C 0.118 176.439 176.600 -0.464 0.000 1.081 160 K CA -0.043 56.035 56.287 -0.350 0.000 1.053 160 K CB 0.301 32.587 32.500 -0.357 0.000 0.908 160 K HN 0.647 nan 8.250 nan 0.000 0.556 161 H N 1.701 120.699 119.070 -0.119 0.000 2.527 161 H HA 0.248 4.805 4.556 0.001 0.000 0.321 161 H C -0.118 175.102 175.328 -0.181 0.000 1.087 161 H CA -0.638 55.317 56.048 -0.154 0.000 1.337 161 H CB 1.349 31.036 29.762 -0.125 0.000 1.440 161 H HN 0.027 nan 8.280 nan 0.000 0.490 162 I N 4.765 125.261 120.570 -0.123 0.000 2.365 162 I HA 0.176 4.347 4.170 0.001 0.000 0.291 162 I C 0.492 176.489 176.117 -0.201 0.000 1.004 162 I CA -0.243 60.937 61.300 -0.200 0.000 1.311 162 I CB 0.546 38.321 38.000 -0.375 0.000 1.401 162 I HN 0.422 nan 8.210 nan 0.000 0.491 163 I N 5.853 126.286 120.570 -0.228 0.000 2.545 163 I HA 0.297 4.467 4.170 0.001 0.000 0.292 163 I C -0.042 175.902 176.117 -0.289 0.000 1.040 163 I CA -0.495 60.610 61.300 -0.324 0.000 1.068 163 I CB 2.129 39.786 38.000 -0.571 0.000 1.251 163 I HN 0.448 nan 8.210 nan 0.000 0.424 164 E N 4.597 124.657 120.200 -0.232 0.000 2.151 164 E HA 0.735 5.086 4.350 0.001 0.000 0.275 164 E C -0.955 175.550 176.600 -0.159 0.000 0.936 164 E CA -0.731 55.598 56.400 -0.118 0.000 0.777 164 E CB 2.000 31.696 29.700 -0.005 0.000 1.108 164 E HN 0.646 nan 8.360 nan 0.000 0.401 165 A N 2.748 125.504 122.820 -0.106 0.000 2.386 165 A HA 0.633 4.953 4.320 0.001 0.000 0.311 165 A C -0.935 176.679 177.584 0.050 0.000 1.068 165 A CA -0.621 51.400 52.037 -0.025 0.000 0.743 165 A CB 1.430 20.415 19.000 -0.026 0.000 1.258 165 A HN 0.387 nan 8.150 nan 0.000 0.429 166 V N 2.580 122.543 119.914 0.081 0.000 2.487 166 V HA 0.596 4.717 4.120 0.001 0.000 0.298 166 V C -0.109 176.034 176.094 0.082 0.000 1.028 166 V CA -0.480 61.862 62.300 0.069 0.000 0.860 166 V CB 1.440 33.297 31.823 0.058 0.000 0.991 166 V HN 1.091 nan 8.190 nan 0.000 0.427 167 V N 0.712 120.665 119.914 0.065 0.000 2.715 167 V HA 0.690 4.811 4.120 0.001 0.000 0.310 167 V C -0.570 175.547 176.094 0.037 0.000 1.054 167 V CA -0.667 61.669 62.300 0.060 0.000 0.928 167 V CB 2.117 33.972 31.823 0.054 0.000 1.007 167 V HN 0.776 nan 8.190 nan 0.000 0.437 168 D N 2.907 123.327 120.400 0.032 0.000 2.396 168 D HA 0.372 5.012 4.640 0.001 0.000 0.225 168 D C 0.856 177.164 176.300 0.012 0.000 1.121 168 D CA -0.166 53.846 54.000 0.020 0.000 0.853 168 D CB 1.518 42.331 40.800 0.021 0.000 1.043 168 D HN 0.649 nan 8.370 nan 0.000 0.500 169 L N 2.873 124.099 121.223 0.004 0.000 2.156 169 L HA -0.093 4.248 4.340 0.001 0.000 0.208 169 L C 2.466 179.335 176.870 -0.003 0.000 1.095 169 L CA 0.593 55.431 54.840 -0.002 0.000 0.770 169 L CB -0.199 41.854 42.059 -0.009 0.000 0.914 169 L HN 0.484 nan 8.230 nan 0.000 0.439 170 Q N 0.551 120.350 119.800 -0.002 0.000 2.046 170 Q HA -0.152 4.189 4.340 0.001 0.000 0.200 170 Q C 1.370 177.371 176.000 0.002 0.000 0.975 170 Q CA 1.406 57.208 55.803 -0.001 0.000 0.836 170 Q CB 0.206 28.944 28.738 -0.002 0.000 0.896 170 Q HN 0.483 nan 8.270 nan 0.000 0.428 171 N N 0.937 119.640 118.700 0.005 0.000 2.270 171 N HA -0.030 4.711 4.740 0.001 0.000 0.198 171 N C -0.480 175.034 175.510 0.007 0.000 1.117 171 N CA 0.334 53.388 53.050 0.006 0.000 0.845 171 N CB 0.069 38.561 38.487 0.009 0.000 0.980 171 N HN 0.312 nan 8.380 nan 0.000 0.486 172 N N 1.467 120.171 118.700 0.006 0.000 2.705 172 N HA -0.236 4.504 4.740 0.001 0.000 0.255 172 N C -1.180 174.338 175.510 0.013 0.000 1.008 172 N CA 0.830 53.884 53.050 0.006 0.000 0.742 172 N CB -0.894 37.593 38.487 0.001 0.000 0.906 172 N HN 0.475 nan 8.380 nan 0.000 0.541 173 K N -0.917 119.496 120.400 0.021 0.000 2.508 173 K HA 0.542 4.863 4.320 0.001 0.000 0.260 173 K C -0.970 175.659 176.600 0.048 0.000 0.949 173 K CA -1.271 55.034 56.287 0.030 0.000 0.834 173 K CB 1.270 33.785 32.500 0.026 0.000 1.365 173 K HN 0.022 nan 8.250 nan 0.000 0.437 174 L N 3.297 124.559 121.223 0.065 0.000 2.361 174 L HA 0.162 4.502 4.340 0.001 0.000 0.278 174 L C 0.168 177.093 176.870 0.091 0.000 1.113 174 L CA 0.051 54.952 54.840 0.102 0.000 0.849 174 L CB 0.236 42.377 42.059 0.137 0.000 1.155 174 L HN 0.837 nan 8.230 nan 0.000 0.452 175 L N 3.346 124.625 121.223 0.093 0.000 2.408 175 L HA 0.258 4.599 4.340 0.001 0.000 0.215 175 L C 0.480 177.408 176.870 0.096 0.000 1.081 175 L CA 0.494 55.381 54.840 0.078 0.000 0.840 175 L CB -0.250 41.844 42.059 0.059 0.000 1.002 175 L HN 0.834 nan 8.230 nan 0.000 0.468 176 S N -2.198 113.583 115.700 0.135 0.000 2.578 176 S HA 0.402 4.873 4.470 0.001 0.000 0.272 176 S C -2.100 172.652 174.600 0.255 0.000 1.145 176 S CA -0.786 57.510 58.200 0.160 0.000 0.835 176 S CB 2.029 65.293 63.200 0.106 0.000 1.104 176 S HN 0.204 nan 8.310 nan 0.000 0.458 177 W N 2.440 123.764 121.300 0.039 0.000 2.957 177 W HA 0.411 5.071 4.660 0.001 0.000 0.327 177 W C -2.066 174.470 176.519 0.029 0.000 1.039 177 W CA -0.337 57.035 57.345 0.044 0.000 1.257 177 W CB 1.336 30.823 29.460 0.045 0.000 1.238 177 W HN 0.941 nan 8.180 nan 0.000 0.406 178 Q N 6.065 125.856 119.800 -0.014 0.000 2.320 178 Q HA 0.321 4.662 4.340 0.001 0.000 0.268 178 Q C -2.434 173.517 176.000 -0.081 0.000 1.023 178 Q CA -1.932 53.877 55.803 0.009 0.000 0.744 178 Q CB 2.713 31.464 28.738 0.023 0.000 1.246 178 Q HN 0.058 nan 8.270 nan 0.000 0.462 179 P HA 0.034 nan 4.420 nan 0.000 0.268 179 P C -0.794 176.456 177.300 -0.082 0.000 1.204 179 P CA 0.092 63.151 63.100 -0.069 0.000 0.768 179 P CB 0.551 32.245 31.700 -0.011 0.000 0.842 180 I N 3.314 123.804 120.570 -0.133 0.000 2.390 180 I HA 0.180 4.351 4.170 0.001 0.000 0.283 180 I C 0.868 176.886 176.117 -0.165 0.000 1.016 180 I CA -1.350 59.857 61.300 -0.155 0.000 1.151 180 I CB 0.585 38.425 38.000 -0.267 0.000 1.293 180 I HN 0.342 nan 8.210 nan 0.000 0.458 181 K N 5.262 125.598 120.400 -0.107 0.000 2.382 181 K HA 0.126 4.447 4.320 0.001 0.000 0.275 181 K C -0.103 176.425 176.600 -0.121 0.000 1.009 181 K CA 0.004 56.233 56.287 -0.097 0.000 0.970 181 K CB 1.282 33.744 32.500 -0.063 0.000 0.934 181 K HN 0.544 nan 8.250 nan 0.000 0.479 182 D N -1.312 119.004 120.400 -0.140 0.000 2.394 182 D HA -0.206 4.435 4.640 0.001 0.000 0.169 182 D C 0.191 176.321 176.300 -0.283 0.000 1.214 182 D CA 2.087 55.981 54.000 -0.176 0.000 1.131 182 D CB -1.287 39.460 40.800 -0.088 0.000 1.157 182 D HN 0.870 nan 8.370 nan 0.000 0.455 183 A N 1.129 123.767 122.820 -0.303 0.000 2.445 183 A HA 0.357 4.678 4.320 0.001 0.000 0.242 183 A C 0.223 177.548 177.584 -0.432 0.000 1.075 183 A CA 0.361 52.179 52.037 -0.366 0.000 0.777 183 A CB 0.365 18.944 19.000 -0.701 0.000 1.013 183 A HN 0.255 nan 8.150 nan 0.000 0.493 184 H N 0.290 119.269 119.070 -0.152 0.000 2.529 184 H HA 0.493 5.050 4.556 0.001 0.000 0.348 184 H C 0.718 176.002 175.328 -0.073 0.000 1.152 184 H CA 0.328 56.303 56.048 -0.120 0.000 1.202 184 H CB 1.805 31.512 29.762 -0.093 0.000 1.562 184 H HN 0.880 nan 8.280 nan 0.000 0.515 185 G N 1.563 110.393 108.800 0.050 0.000 2.504 185 G HA2 0.369 4.330 3.960 0.001 0.000 0.288 185 G HA3 0.369 4.330 3.960 0.001 0.000 0.288 185 G C 0.667 175.583 174.900 0.027 0.000 1.182 185 G CA -0.710 44.418 45.100 0.047 0.000 0.894 185 G HN 0.641 nan 8.290 nan 0.000 0.521 186 M N 0.090 119.702 119.600 0.019 0.000 2.043 186 M HA 0.408 4.889 4.480 0.001 0.000 0.272 186 M C -0.332 175.918 176.300 -0.083 0.000 1.279 186 M CA -0.255 55.013 55.300 -0.054 0.000 1.109 186 M CB 0.304 32.879 32.600 -0.041 0.000 1.377 186 M HN 0.111 nan 8.290 nan 0.000 0.469 187 V N 2.450 122.268 119.914 -0.159 0.000 2.488 187 V HA 0.279 4.400 4.120 0.001 0.000 0.277 187 V C 0.332 176.424 176.094 -0.003 0.000 1.046 187 V CA -0.309 61.910 62.300 -0.135 0.000 0.986 187 V CB 0.420 32.069 31.823 -0.289 0.000 0.989 187 V HN 0.619 nan 8.190 nan 0.000 0.475 188 L N 4.230 125.449 121.223 -0.005 0.000 2.352 188 L HA 0.363 4.703 4.340 0.001 0.000 0.269 188 L C 1.185 177.999 176.870 -0.093 0.000 1.034 188 L CA -0.760 54.035 54.840 -0.076 0.000 0.806 188 L CB 1.363 43.315 42.059 -0.179 0.000 1.244 188 L HN 0.505 nan 8.230 nan 0.000 0.447 189 L N 1.762 122.816 121.223 -0.282 0.000 2.051 189 L HA -0.263 4.077 4.340 0.001 0.000 0.214 189 L C 2.186 178.944 176.870 -0.186 0.000 1.076 189 L CA 2.162 56.845 54.840 -0.262 0.000 0.758 189 L CB -0.616 41.295 42.059 -0.246 0.000 0.890 189 L HN 0.886 nan 8.230 nan 0.000 0.433 190 D N -2.121 118.014 120.400 -0.441 0.000 2.310 190 D HA -0.211 4.430 4.640 0.001 0.000 0.212 190 D C 1.385 177.671 176.300 -0.024 0.000 0.965 190 D CA 1.079 54.982 54.000 -0.162 0.000 0.879 190 D CB -0.569 40.153 40.800 -0.130 0.000 0.921 190 D HN 0.408 nan 8.370 nan 0.000 0.510 191 D N 0.015 120.419 120.400 0.005 0.000 2.178 191 D HA -0.095 4.546 4.640 0.001 0.000 0.202 191 D C 1.768 178.111 176.300 0.071 0.000 0.974 191 D CA 0.546 54.557 54.000 0.018 0.000 0.841 191 D CB -0.420 40.368 40.800 -0.020 0.000 0.953 191 D HN 0.241 nan 8.370 nan 0.000 0.478 192 F N 1.619 121.539 119.950 -0.049 0.000 2.134 192 F HA -0.060 4.468 4.527 0.001 0.000 0.299 192 F C 2.531 178.310 175.800 -0.035 0.000 1.097 192 F CA 0.706 58.697 58.000 -0.015 0.000 1.264 192 F CB -0.914 38.098 39.000 0.021 0.000 1.001 192 F HN -0.083 nan 8.300 nan 0.000 0.479 193 A N -1.240 121.682 122.820 0.169 0.000 1.930 193 A HA -0.154 4.167 4.320 0.001 0.000 0.217 193 A C 2.402 179.999 177.584 0.022 0.000 1.175 193 A CA 1.757 53.838 52.037 0.074 0.000 0.627 193 A CB -1.113 17.921 19.000 0.057 0.000 0.815 193 A HN 0.319 nan 8.150 nan 0.000 0.443 194 S N -0.664 115.042 115.700 0.011 0.000 2.368 194 S HA -0.117 4.353 4.470 0.001 0.000 0.224 194 S C 1.924 176.490 174.600 -0.057 0.000 1.029 194 S CA 1.544 59.730 58.200 -0.023 0.000 0.988 194 S CB -0.452 62.732 63.200 -0.027 0.000 0.838 194 S HN 0.275 nan 8.310 nan 0.000 0.462 195 V N 1.678 121.549 119.914 -0.072 0.000 2.287 195 V HA -0.176 3.944 4.120 0.001 0.000 0.248 195 V C 2.729 178.740 176.094 -0.138 0.000 1.053 195 V CA 2.377 64.604 62.300 -0.122 0.000 1.027 195 V CB -0.853 30.878 31.823 -0.153 0.000 0.646 195 V HN 0.539 nan 8.190 nan 0.000 0.447 196 Q N 0.654 120.395 119.800 -0.098 0.000 2.096 196 Q HA -0.233 4.108 4.340 0.001 0.000 0.204 196 Q C 1.930 177.865 176.000 -0.109 0.000 0.982 196 Q CA 2.483 58.221 55.803 -0.109 0.000 0.850 196 Q CB -0.577 28.123 28.738 -0.063 0.000 0.901 196 Q HN 0.704 nan 8.270 nan 0.000 0.422 197 N N -0.610 118.045 118.700 -0.075 0.000 2.142 197 N HA -0.082 4.659 4.740 0.001 0.000 0.186 197 N C 1.503 176.965 175.510 -0.081 0.000 1.023 197 N CA 1.536 54.549 53.050 -0.062 0.000 0.852 197 N CB -0.159 38.306 38.487 -0.037 0.000 0.998 197 N HN 0.382 nan 8.380 nan 0.000 0.424 198 I N -0.366 120.145 120.570 -0.099 0.000 2.226 198 I HA -0.216 3.955 4.170 0.001 0.000 0.245 198 I C 1.650 177.673 176.117 -0.156 0.000 1.100 198 I CA 0.564 61.799 61.300 -0.109 0.000 1.374 198 I CB -0.149 37.783 38.000 -0.113 0.000 1.057 198 I HN 0.159 nan 8.210 nan 0.000 0.413 199 I N 1.020 121.441 120.570 -0.248 0.000 2.179 199 I HA -0.309 3.862 4.170 0.001 0.000 0.242 199 I C 2.062 178.039 176.117 -0.234 0.000 1.088 199 I CA 1.779 62.829 61.300 -0.418 0.000 1.357 199 I CB -0.800 36.784 38.000 -0.693 0.000 1.051 199 I HN 0.224 nan 8.210 nan 0.000 0.409 200 N N 0.051 118.663 118.700 -0.147 0.000 2.272 200 N HA -0.185 4.556 4.740 0.001 0.000 0.185 200 N C 1.245 176.737 175.510 -0.031 0.000 1.014 200 N CA 1.231 54.241 53.050 -0.066 0.000 0.870 200 N CB -0.270 38.184 38.487 -0.054 0.000 0.975 200 N HN 0.494 nan 8.380 nan 0.000 0.433 201 N N -0.307 118.369 118.700 -0.040 0.000 2.373 201 N HA 0.009 4.749 4.740 0.001 0.000 0.181 201 N C -0.172 175.336 175.510 -0.005 0.000 1.082 201 N CA -0.168 52.870 53.050 -0.019 0.000 0.885 201 N CB 0.396 38.868 38.487 -0.025 0.000 0.977 201 N HN -0.061 nan 8.380 nan 0.000 0.462 202 S N 1.495 117.195 115.700 -0.002 0.000 2.443 202 S HA -0.007 4.463 4.470 0.001 0.000 0.284 202 S C 1.322 175.969 174.600 0.077 0.000 1.206 202 S CA -0.661 57.562 58.200 0.039 0.000 1.074 202 S CB 0.417 63.659 63.200 0.069 0.000 0.963 202 S HN 0.214 nan 8.310 nan 0.000 0.501 203 E N 5.531 125.760 120.200 0.049 0.000 2.047 203 E HA -0.208 4.143 4.350 0.001 0.000 0.191 203 E C 1.256 177.885 176.600 0.049 0.000 0.987 203 E CA 1.522 57.946 56.400 0.041 0.000 0.799 203 E CB -0.698 29.014 29.700 0.021 0.000 0.752 203 E HN 0.886 nan 8.360 nan 0.000 0.449 204 E N -0.025 120.207 120.200 0.053 0.000 2.106 204 E HA -0.092 4.258 4.350 0.001 0.000 0.192 204 E C 1.914 178.550 176.600 0.059 0.000 0.984 204 E CA 0.924 57.348 56.400 0.041 0.000 0.806 204 E CB -0.398 29.322 29.700 0.033 0.000 0.750 204 E HN 0.226 nan 8.360 nan 0.000 0.458 205 F N 1.641 121.573 119.950 -0.030 0.000 2.171 205 F HA -0.132 4.396 4.527 0.001 0.000 0.300 205 F C 2.244 178.026 175.800 -0.029 0.000 1.090 205 F CA 1.275 59.254 58.000 -0.034 0.000 1.293 205 F CB -0.175 38.801 39.000 -0.041 0.000 1.013 205 F HN -0.051 nan 8.300 nan 0.000 0.486 206 A N 0.095 123.019 122.820 0.172 0.000 1.972 206 A HA -0.039 4.282 4.320 0.001 0.000 0.219 206 A C 2.350 179.918 177.584 -0.027 0.000 1.169 206 A CA 1.590 53.677 52.037 0.083 0.000 0.635 206 A CB -1.388 17.658 19.000 0.076 0.000 0.810 206 A HN 0.467 nan 8.150 nan 0.000 0.446 207 A N -0.221 122.578 122.820 -0.036 0.000 1.897 207 A HA 0.275 4.595 4.320 0.001 0.000 0.215 207 A C 2.484 180.003 177.584 -0.109 0.000 1.181 207 A CA 1.690 53.693 52.037 -0.056 0.000 0.620 207 A CB -0.941 18.036 19.000 -0.037 0.000 0.821 207 A HN 0.972 nan 8.150 nan 0.000 0.443 208 A N -0.544 122.170 122.820 -0.178 0.000 1.908 208 A HA -0.038 4.282 4.320 0.001 0.000 0.218 208 A C 2.247 179.667 177.584 -0.273 0.000 1.181 208 A CA 1.828 53.720 52.037 -0.242 0.000 0.627 208 A CB -0.978 17.815 19.000 -0.345 0.000 0.818 208 A HN 0.367 nan 8.150 nan 0.000 0.445 209 V N -0.116 119.584 119.914 -0.357 0.000 2.343 209 V HA -0.263 3.858 4.120 0.001 0.000 0.247 209 V C 2.560 178.577 176.094 -0.129 0.000 1.051 209 V CA 2.486 64.624 62.300 -0.270 0.000 1.036 209 V CB -0.535 31.143 31.823 -0.242 0.000 0.654 209 V HN 0.672 nan 8.190 nan 0.000 0.451 210 K N 0.682 121.025 120.400 -0.094 0.000 2.063 210 K HA -0.216 4.104 4.320 0.001 0.000 0.208 210 K C 2.069 178.639 176.600 -0.050 0.000 1.048 210 K CA 1.689 57.944 56.287 -0.053 0.000 0.928 210 K CB -0.181 32.296 32.500 -0.039 0.000 0.713 210 K HN 0.581 nan 8.250 nan 0.000 0.442 211 K N 0.108 120.470 120.400 -0.063 0.000 2.574 211 K HA -0.113 4.207 4.320 0.001 0.000 0.193 211 K C 0.641 177.213 176.600 -0.046 0.000 1.035 211 K CA 0.974 57.231 56.287 -0.050 0.000 0.982 211 K CB 0.109 32.578 32.500 -0.052 0.000 0.795 211 K HN 0.062 nan 8.250 nan 0.000 0.491 212 R N 0.191 120.658 120.500 -0.056 0.000 2.694 212 R HA 0.129 4.470 4.340 0.001 0.000 0.334 212 R C 0.389 176.676 176.300 -0.022 0.000 1.143 212 R CA 0.281 56.356 56.100 -0.042 0.000 1.073 212 R CB 0.700 30.965 30.300 -0.058 0.000 1.366 212 R HN 0.518 nan 8.270 nan 0.000 0.577 213 G N 0.973 109.763 108.800 -0.018 0.000 2.234 213 G HA2 -0.286 3.674 3.960 0.001 0.000 0.260 213 G HA3 -0.286 3.674 3.960 0.001 0.000 0.260 213 G C 0.103 175.002 174.900 -0.002 0.000 0.987 213 G CA -0.194 44.903 45.100 -0.005 0.000 0.625 213 G HN 0.209 nan 8.290 nan 0.000 0.532 214 I N 2.652 123.217 120.570 -0.009 0.000 2.363 214 I HA 0.352 4.523 4.170 0.001 0.000 0.292 214 I C 1.898 178.013 176.117 -0.003 0.000 1.075 214 I CA 0.726 62.025 61.300 -0.002 0.000 1.333 214 I CB 1.264 39.264 38.000 0.001 0.000 1.415 214 I HN 0.338 nan 8.210 nan 0.000 0.502 215 T N 1.269 115.824 114.554 0.001 0.000 2.643 215 T HA -0.095 4.256 4.350 0.001 0.000 0.256 215 T C 0.895 175.597 174.700 0.005 0.000 1.061 215 T CA 0.586 62.687 62.100 0.001 0.000 1.163 215 T CB -0.163 68.706 68.868 0.002 0.000 0.865 215 T HN 0.512 nan 8.240 nan 0.000 0.407 216 D N 1.734 122.138 120.400 0.007 0.000 2.422 216 D HA 0.433 5.074 4.640 0.001 0.000 0.227 216 D C 1.187 177.498 176.300 0.018 0.000 1.190 216 D CA 0.067 54.073 54.000 0.010 0.000 0.905 216 D CB 1.026 41.830 40.800 0.005 0.000 1.034 216 D HN 0.436 nan 8.370 nan 0.000 0.507 217 A N 4.344 127.180 122.820 0.026 0.000 2.178 217 A HA -0.165 4.156 4.320 0.001 0.000 0.218 217 A C 1.857 179.466 177.584 0.042 0.000 1.157 217 A CA 1.001 53.068 52.037 0.050 0.000 0.689 217 A CB -0.094 18.947 19.000 0.068 0.000 0.787 217 A HN 0.514 nan 8.150 nan 0.000 0.465 218 K N 0.087 120.499 120.400 0.021 0.000 2.504 218 K HA 0.014 4.335 4.320 0.001 0.000 0.195 218 K C 1.170 177.769 176.600 -0.002 0.000 1.036 218 K CA 0.750 57.041 56.287 0.007 0.000 0.984 218 K CB 0.108 32.609 32.500 0.002 0.000 0.788 218 K HN 0.371 nan 8.250 nan 0.000 0.488 219 K N 0.669 121.072 120.400 0.005 0.000 2.417 219 K HA 0.110 4.431 4.320 0.001 0.000 0.196 219 K C -0.428 176.173 176.600 0.002 0.000 1.023 219 K CA 0.065 56.351 56.287 -0.002 0.000 1.122 219 K CB 0.664 33.165 32.500 0.002 0.000 0.850 219 K HN -0.090 nan 8.250 nan 0.000 0.521 220 V N 2.575 122.496 119.914 0.012 0.000 2.406 220 V HA 0.183 4.304 4.120 0.001 0.000 0.272 220 V C 0.057 176.124 176.094 -0.045 0.000 1.043 220 V CA -0.596 61.719 62.300 0.026 0.000 0.915 220 V CB 0.715 32.603 31.823 0.108 0.000 0.988 220 V HN 0.056 nan 8.190 nan 0.000 0.466 221 I N 5.203 125.719 120.570 -0.090 0.000 2.331 221 I HA 0.410 4.581 4.170 0.001 0.000 0.292 221 I C 0.801 176.823 176.117 -0.159 0.000 0.998 221 I CA 0.385 61.532 61.300 -0.256 0.000 1.267 221 I CB 1.873 39.469 38.000 -0.672 0.000 1.386 221 I HN 0.800 nan 8.210 nan 0.000 0.476 222 T N 1.019 115.477 114.554 -0.161 0.000 2.944 222 T HA 0.705 5.056 4.350 0.001 0.000 0.284 222 T C -0.167 174.492 174.700 -0.068 0.000 1.010 222 T CA -0.735 61.304 62.100 -0.101 0.000 1.025 222 T CB 1.800 70.573 68.868 -0.158 0.000 1.079 222 T HN 0.543 nan 8.240 nan 0.000 0.516 223 T N 2.333 116.884 114.554 -0.006 0.000 2.971 223 T HA 0.570 4.921 4.350 0.001 0.000 0.304 223 T C -3.105 171.578 174.700 -0.028 0.000 1.038 223 T CA -1.698 60.430 62.100 0.046 0.000 1.007 223 T CB 1.756 70.750 68.868 0.210 0.000 1.055 223 T HN 0.607 nan 8.240 nan 0.000 0.451 224 P HA 0.477 nan 4.420 nan 0.000 0.293 224 P C -1.144 176.143 177.300 -0.021 0.000 1.313 224 P CA -0.508 62.456 63.100 -0.226 0.000 0.787 224 P CB 0.773 32.116 31.700 -0.595 0.000 0.910 225 L N 2.800 124.035 121.223 0.019 0.000 2.354 225 L HA 0.505 4.846 4.340 0.001 0.000 0.269 225 L C 1.094 177.972 176.870 0.013 0.000 1.005 225 L CA -0.839 54.074 54.840 0.121 0.000 0.819 225 L CB 2.062 44.214 42.059 0.154 0.000 1.311 225 L HN 0.300 nan 8.230 nan 0.000 0.423 226 T N -1.670 112.903 114.554 0.033 0.000 2.860 226 T HA 0.197 4.548 4.350 0.001 0.000 0.299 226 T C 1.001 175.695 174.700 -0.009 0.000 1.045 226 T CA -0.387 61.684 62.100 -0.049 0.000 1.071 226 T CB 1.505 70.344 68.868 -0.048 0.000 0.985 226 T HN 0.512 nan 8.240 nan 0.000 0.537 227 V N -1.146 118.728 119.914 -0.067 0.000 3.471 227 V HA 0.542 4.663 4.120 0.001 0.000 0.258 227 V C 1.313 177.470 176.094 0.104 0.000 1.192 227 V CA 0.743 63.014 62.300 -0.050 0.000 1.116 227 V CB -1.538 30.186 31.823 -0.166 0.000 0.792 227 V HN 1.666 nan 8.190 nan 0.000 0.459 228 G N 0.329 109.148 108.800 0.033 0.000 2.553 228 G HA2 -0.243 3.718 3.960 0.001 0.000 0.242 228 G HA3 -0.243 3.718 3.960 0.001 0.000 0.242 228 G C -0.734 174.164 174.900 -0.003 0.000 1.277 228 G CA 0.346 45.443 45.100 -0.006 0.000 0.910 228 G HN 1.531 nan 8.290 nan 0.000 0.576 229 Y N -0.737 119.348 120.300 -0.358 0.000 2.401 229 Y HA 0.673 5.224 4.550 0.001 0.000 0.330 229 Y C -0.575 174.856 175.900 -0.782 0.000 1.071 229 Y CA -1.548 56.313 58.100 -0.397 0.000 1.049 229 Y CB 1.252 39.513 38.460 -0.332 0.000 1.239 229 Y HN 0.535 nan 8.280 nan 0.000 0.437 230 F N 3.760 123.108 119.950 -1.004 0.000 2.814 230 F HA 0.222 4.749 4.527 0.001 0.000 0.326 230 F C 0.529 175.548 175.800 -1.302 0.000 1.159 230 F CA -0.512 56.902 58.000 -0.977 0.000 1.234 230 F CB 0.355 39.167 39.000 -0.314 0.000 1.016 230 F HN 0.626 nan 8.300 nan 0.000 0.510 231 D N 1.053 120.190 120.400 -2.105 0.000 2.708 231 D HA -0.206 4.434 4.640 0.001 0.000 0.236 231 D C 1.439 177.489 176.300 -0.416 0.000 1.146 231 D CA 1.424 54.732 54.000 -1.153 0.000 0.662 231 D CB -0.911 39.490 40.800 -0.666 0.000 1.059 231 D HN 0.739 nan 8.370 nan 0.000 0.428 232 G N -0.490 108.116 108.800 -0.322 0.000 2.234 232 G HA2 -0.443 3.517 3.960 0.001 0.000 0.260 232 G HA3 -0.443 3.517 3.960 0.001 0.000 0.260 232 G C 1.163 176.010 174.900 -0.088 0.000 0.987 232 G CA 0.769 45.794 45.100 -0.125 0.000 0.625 232 G HN 0.560 nan 8.290 nan 0.000 0.532 233 K N 0.630 120.977 120.400 -0.089 0.000 2.280 233 K HA -0.022 4.298 4.320 0.001 0.000 0.202 233 K C 1.807 178.336 176.600 -0.117 0.000 1.047 233 K CA 1.374 57.613 56.287 -0.080 0.000 0.942 233 K CB -0.124 32.335 32.500 -0.068 0.000 0.739 233 K HN 0.646 nan 8.250 nan 0.000 0.457 234 D N -0.333 120.016 120.400 -0.086 0.000 2.349 234 D HA 0.002 4.643 4.640 0.001 0.000 0.224 234 D C 0.932 177.207 176.300 -0.042 0.000 1.029 234 D CA 0.533 54.493 54.000 -0.067 0.000 0.879 234 D CB -0.167 40.648 40.800 0.025 0.000 0.906 234 D HN 0.162 nan 8.370 nan 0.000 0.528 235 G N 0.415 109.187 108.800 -0.047 0.000 2.246 235 G HA2 -0.240 3.720 3.960 0.001 0.000 0.273 235 G HA3 -0.240 3.720 3.960 0.001 0.000 0.273 235 G C -0.280 174.600 174.900 -0.034 0.000 1.055 235 G CA 0.289 45.365 45.100 -0.040 0.000 0.851 235 G HN 0.417 nan 8.290 nan 0.000 0.500 236 L N -0.418 120.789 121.223 -0.028 0.000 2.362 236 L HA 0.466 4.807 4.340 0.001 0.000 0.275 236 L C 0.747 177.614 176.870 -0.006 0.000 0.998 236 L CA -1.147 53.678 54.840 -0.026 0.000 0.820 236 L CB 1.969 44.007 42.059 -0.036 0.000 1.270 236 L HN 0.222 nan 8.230 nan 0.000 0.415 237 K N 2.479 122.876 120.400 -0.005 0.000 2.402 237 K HA -0.039 4.282 4.320 0.001 0.000 0.285 237 K C 0.781 177.403 176.600 0.036 0.000 1.054 237 K CA -0.159 56.136 56.287 0.015 0.000 1.001 237 K CB 1.062 33.565 32.500 0.005 0.000 0.946 237 K HN 0.553 nan 8.250 nan 0.000 0.473 238 Q N 3.200 123.044 119.800 0.074 0.000 2.297 238 Q HA -0.243 4.097 4.340 0.001 0.000 0.208 238 Q C 1.257 177.350 176.000 0.154 0.000 0.981 238 Q CA 2.211 58.082 55.803 0.113 0.000 0.876 238 Q CB -0.061 28.749 28.738 0.120 0.000 0.921 238 Q HN 0.852 nan 8.270 nan 0.000 0.446 239 D N -0.734 119.728 120.400 0.103 0.000 2.162 239 D HA -0.045 4.596 4.640 0.001 0.000 0.203 239 D C -0.021 176.363 176.300 0.140 0.000 0.967 239 D CA 0.765 54.824 54.000 0.098 0.000 0.840 239 D CB -0.069 40.756 40.800 0.041 0.000 0.972 239 D HN 0.275 nan 8.370 nan 0.000 0.482 240 A N 0.934 123.802 122.820 0.079 0.000 2.407 240 A HA 0.231 4.552 4.320 0.001 0.000 0.248 240 A C 0.446 178.034 177.584 0.006 0.000 1.082 240 A CA -0.313 51.742 52.037 0.031 0.000 0.785 240 A CB 0.190 19.180 19.000 -0.017 0.000 1.020 240 A HN 0.285 nan 8.150 nan 0.000 0.489 241 R N 2.497 122.983 120.500 -0.022 0.000 2.308 241 R HA 0.463 4.803 4.340 0.001 0.000 0.325 241 R C -1.127 175.097 176.300 -0.127 0.000 1.161 241 R CA 0.036 56.089 56.100 -0.077 0.000 1.022 241 R CB -0.384 29.882 30.300 -0.056 0.000 1.091 241 R HN 0.677 nan 8.270 nan 0.000 0.497 242 L N 5.026 126.139 121.223 -0.182 0.000 2.319 242 L HA 0.640 4.981 4.340 0.001 0.000 0.267 242 L C -0.560 176.196 176.870 -0.191 0.000 1.011 242 L CA -1.268 53.469 54.840 -0.170 0.000 0.818 242 L CB 1.898 43.859 42.059 -0.164 0.000 1.316 242 L HN 0.495 nan 8.230 nan 0.000 0.432 243 L N 1.123 122.235 121.223 -0.186 0.000 2.434 243 L HA 0.504 4.844 4.340 0.001 0.000 0.260 243 L C -0.800 175.938 176.870 -0.220 0.000 0.983 243 L CA -0.715 54.008 54.840 -0.196 0.000 0.820 243 L CB 2.896 44.842 42.059 -0.189 0.000 1.361 243 L HN 0.512 nan 8.230 nan 0.000 0.410 244 K N 1.057 121.304 120.400 -0.254 0.000 2.123 244 K HA 0.735 5.056 4.320 0.001 0.000 0.259 244 K C -1.301 175.185 176.600 -0.190 0.000 0.960 244 K CA -0.650 55.444 56.287 -0.322 0.000 0.872 244 K CB 2.329 34.415 32.500 -0.689 0.000 1.079 244 K HN 0.236 nan 8.250 nan 0.000 0.440 245 V N 4.361 124.181 119.914 -0.157 0.000 2.487 245 V HA 0.381 4.502 4.120 0.001 0.000 0.298 245 V C -0.536 175.527 176.094 -0.052 0.000 1.028 245 V CA -0.974 61.264 62.300 -0.103 0.000 0.860 245 V CB 1.466 33.198 31.823 -0.152 0.000 0.991 245 V HN 0.605 nan 8.190 nan 0.000 0.427 246 I N 3.225 123.775 120.570 -0.033 0.000 2.441 246 I HA 0.605 4.776 4.170 0.001 0.000 0.295 246 I C 0.349 176.399 176.117 -0.113 0.000 0.994 246 I CA 0.078 61.325 61.300 -0.088 0.000 1.144 246 I CB 2.059 39.994 38.000 -0.108 0.000 1.314 246 I HN 0.632 nan 8.210 nan 0.000 0.445 247 S N 5.255 120.835 115.700 -0.201 0.000 2.600 247 S HA 0.811 5.282 4.470 0.001 0.000 0.300 247 S C -1.217 173.140 174.600 -0.405 0.000 1.087 247 S CA -0.508 57.605 58.200 -0.143 0.000 0.965 247 S CB 2.093 65.356 63.200 0.106 0.000 1.089 247 S HN 0.366 nan 8.310 nan 0.000 0.496 248 Y N 0.001 120.315 120.300 0.023 0.000 2.615 248 Y HA 0.623 5.174 4.550 0.001 0.000 0.341 248 Y C -0.828 175.114 175.900 0.069 0.000 1.089 248 Y CA -1.125 57.029 58.100 0.090 0.000 1.049 248 Y CB 0.877 39.428 38.460 0.151 0.000 1.296 248 Y HN 0.461 nan 8.280 nan 0.000 0.470 249 L N 2.442 123.841 121.223 0.295 0.000 2.282 249 L HA 0.398 4.739 4.340 0.001 0.000 0.288 249 L C -0.595 176.353 176.870 0.130 0.000 1.033 249 L CA -0.416 54.521 54.840 0.161 0.000 0.807 249 L CB 0.630 42.758 42.059 0.114 0.000 1.209 249 L HN 0.587 nan 8.230 nan 0.000 0.423 250 D N 3.910 124.343 120.400 0.056 0.000 2.336 250 D HA 0.098 4.739 4.640 0.001 0.000 0.249 250 D C 0.249 176.523 176.300 -0.044 0.000 1.213 250 D CA 0.063 54.085 54.000 0.037 0.000 0.870 250 D CB 1.237 42.043 40.800 0.009 0.000 1.076 250 D HN 0.372 nan 8.370 nan 0.000 0.483 251 V N 3.236 123.073 119.914 -0.130 0.000 3.376 251 V HA 0.239 4.360 4.120 0.001 0.000 0.313 251 V C 1.674 177.717 176.094 -0.084 0.000 1.393 251 V CA 0.367 62.560 62.300 -0.179 0.000 1.125 251 V CB 0.027 31.562 31.823 -0.479 0.000 1.037 251 V HN 0.894 nan 8.190 nan 0.000 0.440 252 G N 2.263 111.043 108.800 -0.034 0.000 2.143 252 G HA2 -0.259 3.702 3.960 0.001 0.000 0.248 252 G HA3 -0.259 3.702 3.960 0.001 0.000 0.248 252 G C 0.374 175.265 174.900 -0.015 0.000 0.991 252 G CA 0.524 45.614 45.100 -0.017 0.000 0.689 252 G HN 0.706 nan 8.290 nan 0.000 0.522 253 D N -0.643 119.758 120.400 0.002 0.000 2.363 253 D HA 0.384 5.025 4.640 0.001 0.000 0.214 253 D C 1.724 177.976 176.300 -0.079 0.000 1.093 253 D CA 0.411 54.404 54.000 -0.012 0.000 0.837 253 D CB -0.485 40.352 40.800 0.062 0.000 0.948 253 D HN 1.495 nan 8.370 nan 0.000 0.507 254 G N 0.879 109.647 108.800 -0.054 0.000 2.155 254 G HA2 -0.321 3.639 3.960 0.001 0.000 0.257 254 G HA3 -0.321 3.639 3.960 0.001 0.000 0.257 254 G C 0.119 174.956 174.900 -0.104 0.000 0.983 254 G CA 0.215 45.250 45.100 -0.107 0.000 0.676 254 G HN 0.580 nan 8.290 nan 0.000 0.528 255 N N -0.249 118.470 118.700 0.032 0.000 2.726 255 N HA 0.349 5.089 4.740 0.001 0.000 0.253 255 N C 0.974 176.595 175.510 0.185 0.000 1.530 255 N CA -0.391 52.736 53.050 0.129 0.000 0.772 255 N CB -0.082 38.492 38.487 0.144 0.000 1.220 255 N HN 0.347 nan 8.380 nan 0.000 0.508 256 Y N -0.383 119.982 120.300 0.108 0.000 2.333 256 Y HA 0.023 4.574 4.550 0.002 0.000 0.290 256 Y C 1.185 177.066 175.900 -0.031 0.000 1.144 256 Y CA 0.644 58.791 58.100 0.079 0.000 1.228 256 Y CB -0.724 37.635 38.460 -0.167 0.000 0.985 256 Y HN 0.299 nan 8.280 nan 0.000 0.542 257 W N 1.185 122.240 121.300 -0.408 0.000 2.387 257 W HA -0.052 4.608 4.660 0.001 0.000 0.272 257 W C 2.247 178.843 176.519 0.129 0.000 1.224 257 W CA 1.364 58.487 57.345 -0.371 0.000 1.210 257 W CB -0.234 29.009 29.460 -0.361 0.000 1.125 257 W HN 0.206 nan 8.180 nan 0.000 0.572 258 A N -0.879 122.097 122.820 0.261 0.000 2.278 258 A HA 0.055 4.376 4.320 0.001 0.000 0.212 258 A C 0.097 177.488 177.584 -0.322 0.000 1.213 258 A CA 0.372 52.504 52.037 0.157 0.000 0.840 258 A CB -0.592 18.377 19.000 -0.052 0.000 0.866 258 A HN 0.319 nan 8.150 nan 0.000 0.489 259 H N 0.390 119.730 119.070 0.451 0.000 2.439 259 H HA 0.221 4.778 4.556 0.001 0.000 0.228 259 H C -3.038 172.514 175.328 0.374 0.000 1.423 259 H CA -1.794 54.464 56.048 0.349 0.000 1.386 259 H CB 0.325 30.250 29.762 0.272 0.000 1.641 259 H HN 0.300 nan 8.280 nan 0.000 0.508 260 P HA 0.142 nan 4.420 nan 0.000 0.272 260 P C 0.353 177.688 177.300 0.059 0.000 1.223 260 P CA -0.198 62.993 63.100 0.151 0.000 0.784 260 P CB 1.698 33.495 31.700 0.161 0.000 0.923 261 I N 1.526 122.047 120.570 -0.080 0.000 2.412 261 I HA 0.209 4.380 4.170 0.001 0.000 0.279 261 I C 0.801 176.889 176.117 -0.048 0.000 1.063 261 I CA -0.662 60.618 61.300 -0.032 0.000 1.193 261 I CB 0.536 38.508 38.000 -0.045 0.000 1.370 261 I HN 0.261 nan 8.210 nan 0.000 0.479 262 E N 4.775 124.983 120.200 0.012 0.000 2.373 262 E HA 0.114 4.464 4.350 0.001 0.000 0.267 262 E C 0.140 176.762 176.600 0.037 0.000 1.032 262 E CA 0.528 56.957 56.400 0.049 0.000 0.889 262 E CB 0.293 30.057 29.700 0.106 0.000 0.984 262 E HN 0.526 nan 8.360 nan 0.000 0.425 263 N N 0.965 119.702 118.700 0.061 0.000 2.815 263 N HA -0.243 4.497 4.740 0.001 0.000 0.249 263 N C -1.286 174.227 175.510 0.005 0.000 1.114 263 N CA 0.332 53.413 53.050 0.052 0.000 0.717 263 N CB -1.027 37.489 38.487 0.049 0.000 1.074 263 N HN 0.228 nan 8.380 nan 0.000 0.555 264 L N 0.215 121.426 121.223 -0.019 0.000 2.446 264 L HA 0.648 4.988 4.340 0.001 0.000 0.268 264 L C -1.277 175.588 176.870 -0.008 0.000 0.975 264 L CA -0.786 54.026 54.840 -0.047 0.000 0.848 264 L CB 1.894 43.881 42.059 -0.120 0.000 1.225 264 L HN -0.136 nan 8.230 nan 0.000 0.410 265 V N 4.054 123.972 119.914 0.008 0.000 2.588 265 V HA 0.934 5.054 4.120 0.001 0.000 0.304 265 V C 0.049 176.155 176.094 0.020 0.000 1.042 265 V CA -0.270 62.030 62.300 -0.000 0.000 0.877 265 V CB 1.518 33.313 31.823 -0.046 0.000 0.996 265 V HN 0.930 nan 8.190 nan 0.000 0.425 266 A N 4.037 126.875 122.820 0.031 0.000 2.337 266 A HA 0.893 5.214 4.320 0.001 0.000 0.329 266 A C -0.835 176.692 177.584 -0.096 0.000 1.146 266 A CA -0.613 51.439 52.037 0.026 0.000 0.800 266 A CB 1.723 20.757 19.000 0.056 0.000 1.220 266 A HN 0.679 nan 8.150 nan 0.000 0.472 267 V N 2.707 122.559 119.914 -0.103 0.000 2.370 267 V HA 0.429 4.550 4.120 0.001 0.000 0.283 267 V C -0.323 175.698 176.094 -0.121 0.000 1.023 267 V CA -0.402 61.809 62.300 -0.148 0.000 0.857 267 V CB 1.351 33.088 31.823 -0.143 0.000 0.985 267 V HN 0.638 nan 8.190 nan 0.000 0.443 268 V N 3.830 123.661 119.914 -0.139 0.000 2.459 268 V HA 0.410 4.530 4.120 0.001 0.000 0.295 268 V C -0.277 175.748 176.094 -0.115 0.000 1.029 268 V CA -0.604 61.623 62.300 -0.123 0.000 0.874 268 V CB 2.003 33.743 31.823 -0.139 0.000 0.985 268 V HN 0.868 nan 8.190 nan 0.000 0.438 269 D N 3.935 124.280 120.400 -0.093 0.000 2.359 269 D HA 0.296 4.937 4.640 0.001 0.000 0.230 269 D C 0.883 177.135 176.300 -0.079 0.000 1.118 269 D CA -0.194 53.756 54.000 -0.083 0.000 0.844 269 D CB 1.643 42.405 40.800 -0.064 0.000 1.059 269 D HN 0.422 nan 8.370 nan 0.000 0.493 270 L N 2.871 124.043 121.223 -0.085 0.000 2.141 270 L HA -0.079 4.262 4.340 0.001 0.000 0.209 270 L C 2.187 179.018 176.870 -0.065 0.000 1.094 270 L CA 0.778 55.571 54.840 -0.078 0.000 0.763 270 L CB -0.022 41.985 42.059 -0.087 0.000 0.908 270 L HN 0.472 nan 8.230 nan 0.000 0.437 271 E N -0.227 119.934 120.200 -0.064 0.000 2.072 271 E HA -0.239 4.112 4.350 0.001 0.000 0.190 271 E C 2.049 178.624 176.600 -0.042 0.000 0.982 271 E CA 0.780 57.147 56.400 -0.055 0.000 0.803 271 E CB 0.073 29.736 29.700 -0.062 0.000 0.755 271 E HN 0.460 nan 8.360 nan 0.000 0.453 272 Q N 0.832 120.607 119.800 -0.042 0.000 2.436 272 Q HA -0.080 4.261 4.340 0.001 0.000 0.209 272 Q C -0.273 175.705 176.000 -0.036 0.000 0.965 272 Q CA 0.404 56.186 55.803 -0.035 0.000 0.910 272 Q CB 0.176 28.894 28.738 -0.035 0.000 0.980 272 Q HN 0.003 nan 8.270 nan 0.000 0.491 273 K N 0.553 120.927 120.400 -0.044 0.000 3.148 273 K HA -0.225 4.096 4.320 0.001 0.000 0.267 273 K C -0.648 175.924 176.600 -0.047 0.000 0.996 273 K CA 0.922 57.182 56.287 -0.046 0.000 0.737 273 K CB -1.270 31.209 32.500 -0.035 0.000 1.308 273 K HN 0.248 nan 8.250 nan 0.000 0.470 274 K N 0.179 120.547 120.400 -0.054 0.000 2.556 274 K HA 0.433 4.753 4.320 0.001 0.000 0.274 274 K C -0.901 175.663 176.600 -0.060 0.000 0.966 274 K CA -0.872 55.384 56.287 -0.051 0.000 0.865 274 K CB 1.449 33.926 32.500 -0.037 0.000 1.444 274 K HN 0.107 nan 8.250 nan 0.000 0.433 275 I N 3.951 124.489 120.570 -0.053 0.000 2.379 275 I HA 0.021 4.192 4.170 0.001 0.000 0.290 275 I C 1.181 177.276 176.117 -0.036 0.000 1.063 275 I CA -0.213 61.058 61.300 -0.050 0.000 1.351 275 I CB 1.211 39.198 38.000 -0.022 0.000 1.410 275 I HN 0.512 nan 8.210 nan 0.000 0.505 276 V N 2.871 122.757 119.914 -0.046 0.000 3.647 276 V HA 0.304 4.424 4.120 0.001 0.000 0.279 276 V C 0.410 176.482 176.094 -0.037 0.000 1.314 276 V CA 0.282 62.558 62.300 -0.040 0.000 1.125 276 V CB -0.648 31.147 31.823 -0.048 0.000 0.907 276 V HN 0.804 nan 8.190 nan 0.000 0.434 277 K N 0.117 120.496 120.400 -0.036 0.000 2.622 277 K HA 0.582 4.903 4.320 0.001 0.000 0.273 277 K C -2.184 174.405 176.600 -0.020 0.000 0.957 277 K CA -0.724 55.544 56.287 -0.032 0.000 0.861 277 K CB 2.304 34.775 32.500 -0.048 0.000 1.405 277 K HN 0.160 nan 8.250 nan 0.000 0.406 278 I N 3.762 124.326 120.570 -0.010 0.000 2.503 278 I HA 0.213 4.384 4.170 0.001 0.000 0.282 278 I C -0.641 175.467 176.117 -0.014 0.000 1.059 278 I CA -0.655 60.648 61.300 0.005 0.000 1.081 278 I CB 1.883 39.895 38.000 0.020 0.000 1.210 278 I HN 0.533 nan 8.210 nan 0.000 0.450 279 E N 6.551 126.741 120.200 -0.016 0.000 2.227 279 E HA 0.454 4.805 4.350 0.001 0.000 0.282 279 E C -0.840 175.755 176.600 -0.010 0.000 1.015 279 E CA -0.498 55.897 56.400 -0.008 0.000 0.823 279 E CB 1.797 31.502 29.700 0.008 0.000 1.081 279 E HN 0.515 nan 8.360 nan 0.000 0.396 280 E N 0.996 121.189 120.200 -0.011 0.000 2.314 280 E HA 0.545 4.896 4.350 0.001 0.000 0.272 280 E C -0.466 176.131 176.600 -0.004 0.000 0.884 280 E CA -0.767 55.621 56.400 -0.020 0.000 0.753 280 E CB 2.268 31.942 29.700 -0.042 0.000 1.213 280 E HN 0.568 nan 8.360 nan 0.000 0.432 281 G N 1.462 110.264 108.800 0.003 0.000 3.251 281 G HA2 0.592 4.553 3.960 0.001 0.000 0.248 281 G HA3 0.592 4.553 3.960 0.001 0.000 0.248 281 G C -2.660 172.245 174.900 0.007 0.000 1.320 281 G CA -1.265 43.844 45.100 0.015 0.000 0.982 281 G HN 0.279 nan 8.290 nan 0.000 0.575 282 P HA 0.246 nan 4.420 nan 0.000 0.268 282 P C -0.259 177.047 177.300 0.009 0.000 1.208 282 P CA -0.318 62.788 63.100 0.010 0.000 0.777 282 P CB 0.843 32.553 31.700 0.016 0.000 0.875 283 V N 3.398 123.313 119.914 0.002 0.000 2.455 283 V HA 0.122 4.242 4.120 0.001 0.000 0.273 283 V C 0.365 176.466 176.094 0.012 0.000 1.045 283 V CA -0.013 62.287 62.300 0.000 0.000 0.976 283 V CB 0.936 32.754 31.823 -0.008 0.000 0.993 283 V HN 0.222 nan 8.190 nan 0.000 0.475 284 V N 7.511 127.437 119.914 0.019 0.000 2.444 284 V HA 0.377 4.498 4.120 0.001 0.000 0.294 284 V C -2.273 173.843 176.094 0.035 0.000 1.022 284 V CA -2.034 60.285 62.300 0.031 0.000 0.850 284 V CB 1.844 33.692 31.823 0.043 0.000 0.992 284 V HN 0.741 nan 8.190 nan 0.000 0.426 285 P HA 0.051 nan 4.420 nan 0.000 0.262 285 P C -0.261 177.080 177.300 0.068 0.000 1.182 285 P CA 0.061 63.188 63.100 0.045 0.000 0.761 285 P CB 0.288 32.013 31.700 0.042 0.000 0.795 286 V N 6.852 126.814 119.914 0.079 0.000 2.540 286 V HA 0.043 4.164 4.120 0.001 0.000 0.297 286 V C -1.796 174.394 176.094 0.160 0.000 1.024 286 V CA -1.015 61.358 62.300 0.122 0.000 1.105 286 V CB -0.147 31.753 31.823 0.127 0.000 0.938 286 V HN 0.566 nan 8.190 nan 0.000 0.482 287 P HA 0.171 nan 4.420 nan 0.000 0.265 287 P C 0.403 177.924 177.300 0.368 0.000 1.222 287 P CA 0.059 63.293 63.100 0.225 0.000 0.767 287 P CB 0.462 32.273 31.700 0.184 0.000 0.801 288 M N 0.109 119.884 119.600 0.290 0.000 2.514 288 M HA 0.058 4.539 4.480 0.001 0.000 0.258 288 M C 0.434 176.904 176.300 0.283 0.000 1.159 288 M CA 0.601 56.058 55.300 0.261 0.000 1.116 288 M CB -0.941 31.733 32.600 0.124 0.000 1.333 288 M HN 0.153 nan 8.290 nan 0.000 0.487 289 T N 2.578 117.301 114.554 0.282 0.000 2.933 289 T HA 0.204 4.555 4.350 0.001 0.000 0.306 289 T C 0.465 175.365 174.700 0.333 0.000 1.045 289 T CA -0.089 62.162 62.100 0.251 0.000 1.143 289 T CB 0.406 69.407 68.868 0.222 0.000 1.003 289 T HN 0.365 nan 8.240 nan 0.000 0.540 290 A N 4.273 127.223 122.820 0.217 0.000 2.492 290 A HA 0.350 4.671 4.320 0.001 0.000 0.254 290 A C 0.798 178.481 177.584 0.165 0.000 1.091 290 A CA -0.247 51.907 52.037 0.194 0.000 0.768 290 A CB 0.163 19.219 19.000 0.093 0.000 1.028 290 A HN 0.710 nan 8.150 nan 0.000 0.498 291 R N 3.046 123.642 120.500 0.161 0.000 2.738 291 R HA 0.242 4.583 4.340 0.001 0.000 0.280 291 R C -2.999 173.272 176.300 -0.048 0.000 1.456 291 R CA -1.466 54.654 56.100 0.034 0.000 1.612 291 R CB 0.951 31.260 30.300 0.014 0.000 1.286 291 R HN 0.551 nan 8.270 nan 0.000 0.660 292 P HA 0.054 nan 4.420 nan 0.000 0.272 292 P C 0.152 177.354 177.300 -0.163 0.000 1.223 292 P CA -0.056 62.930 63.100 -0.191 0.000 0.784 292 P CB 0.333 31.929 31.700 -0.174 0.000 0.923 293 F N -0.440 119.435 119.950 -0.125 0.000 2.706 293 F HA 0.254 4.781 4.527 0.001 0.000 0.313 293 F C 0.904 176.646 175.800 -0.096 0.000 1.096 293 F CA -0.431 57.482 58.000 -0.145 0.000 1.219 293 F CB -0.802 38.080 39.000 -0.196 0.000 1.051 293 F HN 0.092 nan 8.300 nan 0.000 0.568 294 D N 0.121 120.337 120.400 -0.307 0.000 2.328 294 D HA 0.213 4.854 4.640 0.001 0.000 0.226 294 D C 1.887 178.149 176.300 -0.063 0.000 1.066 294 D CA 0.559 54.481 54.000 -0.129 0.000 0.861 294 D CB -0.101 40.559 40.800 -0.234 0.000 0.912 294 D HN 0.490 nan 8.370 nan 0.000 0.521 295 G N 1.780 110.547 108.800 -0.055 0.000 2.176 295 G HA2 -0.447 3.513 3.960 0.001 0.000 0.253 295 G HA3 -0.447 3.513 3.960 0.001 0.000 0.253 295 G C 1.254 176.129 174.900 -0.042 0.000 0.979 295 G CA 0.456 45.536 45.100 -0.034 0.000 0.641 295 G HN 0.582 nan 8.290 nan 0.000 0.530 296 R N 0.639 121.101 120.500 -0.065 0.000 2.170 296 R HA -0.100 4.241 4.340 0.001 0.000 0.242 296 R C 1.471 177.751 176.300 -0.034 0.000 1.145 296 R CA 2.096 58.166 56.100 -0.052 0.000 0.984 296 R CB -0.471 29.789 30.300 -0.067 0.000 0.869 296 R HN 0.467 nan 8.270 nan 0.000 0.455 297 D N -0.187 120.194 120.400 -0.032 0.000 2.402 297 D HA 0.075 4.716 4.640 0.001 0.000 0.216 297 D C -0.066 176.229 176.300 -0.010 0.000 1.128 297 D CA -0.271 53.719 54.000 -0.017 0.000 0.833 297 D CB 0.207 40.999 40.800 -0.013 0.000 0.971 297 D HN 0.055 nan 8.370 nan 0.000 0.503 298 R N 0.146 120.638 120.500 -0.012 0.000 2.828 298 R HA 0.574 4.915 4.340 0.001 0.000 0.264 298 R C -0.375 175.923 176.300 -0.004 0.000 1.022 298 R CA -1.028 55.069 56.100 -0.005 0.000 1.021 298 R CB 1.726 32.022 30.300 -0.005 0.000 1.163 298 R HN -0.124 nan 8.270 nan 0.000 0.494 299 V N 1.182 121.096 119.914 0.000 0.000 2.607 299 V HA 0.333 4.453 4.120 0.001 0.000 0.289 299 V C 0.344 176.438 176.094 0.001 0.000 1.053 299 V CA -0.579 61.721 62.300 0.001 0.000 0.996 299 V CB 1.469 33.294 31.823 0.003 0.000 0.995 299 V HN 0.858 nan 8.190 nan 0.000 0.476 300 A N 6.915 129.736 122.820 0.000 0.000 2.260 300 A HA 0.700 5.021 4.320 0.001 0.000 0.312 300 A C -1.666 175.919 177.584 0.002 0.000 1.321 300 A CA -1.255 50.782 52.037 0.001 0.000 0.928 300 A CB -0.210 18.790 19.000 0.000 0.000 1.158 300 A HN 0.741 nan 8.150 nan 0.000 0.542 301 P HA 0.368 nan 4.420 nan 0.000 0.271 301 P C -0.167 177.134 177.300 0.003 0.000 1.233 301 P CA -0.114 62.988 63.100 0.003 0.000 0.789 301 P CB 0.749 32.451 31.700 0.003 0.000 0.951 302 A N 1.188 124.010 122.820 0.003 0.000 2.309 302 A HA 0.595 4.916 4.320 0.001 0.000 0.298 302 A C -0.412 177.174 177.584 0.002 0.000 1.165 302 A CA -0.441 51.597 52.037 0.003 0.000 0.821 302 A CB 0.575 19.577 19.000 0.003 0.000 1.102 302 A HN 0.350 nan 8.150 nan 0.000 0.500 303 V N 2.210 122.125 119.914 0.002 0.000 3.049 303 V HA 0.348 4.469 4.120 0.001 0.000 0.309 303 V C -0.245 175.850 176.094 0.001 0.000 1.148 303 V CA -0.920 61.381 62.300 0.001 0.000 0.990 303 V CB 2.331 34.155 31.823 0.001 0.000 1.039 303 V HN 0.974 nan 8.190 nan 0.000 0.430 304 K N 3.238 123.638 120.400 -0.001 0.000 2.118 304 K HA 0.527 4.848 4.320 0.001 0.000 0.267 304 K C -2.290 174.310 176.600 0.000 0.000 0.991 304 K CA -1.379 54.907 56.287 -0.001 0.000 0.916 304 K CB 0.873 33.370 32.500 -0.005 0.000 1.041 304 K HN 0.510 nan 8.250 nan 0.000 0.455 305 P HA 0.019 nan 4.420 nan 0.000 0.269 305 P C -1.017 176.286 177.300 0.004 0.000 1.209 305 P CA 0.009 63.113 63.100 0.007 0.000 0.776 305 P CB 0.619 32.326 31.700 0.012 0.000 0.876 306 M N 1.866 121.469 119.600 0.006 0.000 2.206 306 M HA 0.236 4.717 4.480 0.001 0.000 0.272 306 M C -1.607 174.699 176.300 0.011 0.000 1.012 306 M CA -0.268 55.034 55.300 0.003 0.000 0.986 306 M CB 1.895 34.492 32.600 -0.004 0.000 1.740 306 M HN 0.329 nan 8.290 nan 0.000 0.472 307 Q N 4.506 124.318 119.800 0.019 0.000 2.394 307 Q HA 0.664 5.005 4.340 0.001 0.000 0.273 307 Q C -1.281 174.738 176.000 0.032 0.000 1.089 307 Q CA -0.824 55.000 55.803 0.036 0.000 0.812 307 Q CB 3.387 32.165 28.738 0.066 0.000 1.353 307 Q HN 0.720 nan 8.270 nan 0.000 0.438 308 I N 3.782 124.374 120.570 0.037 0.000 2.355 308 I HA 0.438 4.609 4.170 0.001 0.000 0.288 308 I C -0.324 175.828 176.117 0.058 0.000 0.999 308 I CA -0.713 60.607 61.300 0.033 0.000 1.163 308 I CB 0.832 38.849 38.000 0.028 0.000 1.316 308 I HN 0.515 nan 8.210 nan 0.000 0.454 309 I N 2.511 123.103 120.570 0.036 0.000 2.646 309 I HA 0.607 4.777 4.170 0.001 0.000 0.299 309 I C -0.785 175.288 176.117 -0.074 0.000 1.036 309 I CA -0.551 60.756 61.300 0.013 0.000 1.074 309 I CB 2.245 40.249 38.000 0.007 0.000 1.258 309 I HN 0.510 nan 8.210 nan 0.000 0.430 310 E N 5.368 125.496 120.200 -0.119 0.000 3.108 310 E HA 0.244 4.594 4.350 0.001 0.000 0.228 310 E C -2.113 174.324 176.600 -0.271 0.000 1.176 310 E CA -1.513 54.810 56.400 -0.128 0.000 0.881 310 E CB 1.292 30.978 29.700 -0.024 0.000 1.354 310 E HN 0.555 nan 8.360 nan 0.000 0.400 311 P HA -0.171 nan 4.420 nan 0.000 0.221 311 P C 0.415 177.574 177.300 -0.236 0.000 1.145 311 P CA 1.168 63.818 63.100 -0.751 0.000 0.795 311 P CB 0.385 31.552 31.700 -0.888 0.000 0.775 312 E N -0.669 119.452 120.200 -0.132 0.000 2.476 312 E HA 0.363 4.714 4.350 0.001 0.000 0.196 312 E C 0.839 177.421 176.600 -0.029 0.000 1.029 312 E CA 0.053 56.423 56.400 -0.051 0.000 0.896 312 E CB 0.300 29.972 29.700 -0.047 0.000 1.012 312 E HN 0.210 nan 8.360 nan 0.000 0.475 313 G N 1.328 110.110 108.800 -0.030 0.000 2.498 313 G HA2 -0.148 3.813 3.960 0.001 0.000 0.651 313 G HA3 -0.148 3.813 3.960 0.001 0.000 0.651 313 G C -0.898 173.946 174.900 -0.093 0.000 1.284 313 G CA -0.991 44.088 45.100 -0.034 0.000 0.950 313 G HN -0.087 nan 8.290 nan 0.000 0.511 314 K N -0.201 120.081 120.400 -0.197 0.000 2.109 314 K HA 0.435 4.756 4.320 0.001 0.000 0.243 314 K C 1.091 177.533 176.600 -0.263 0.000 1.006 314 K CA -0.620 55.444 56.287 -0.371 0.000 0.917 314 K CB 0.650 32.533 32.500 -1.028 0.000 1.081 314 K HN 0.526 nan 8.250 nan 0.000 0.468 315 N N -0.540 118.068 118.700 -0.154 0.000 2.353 315 N HA 0.019 4.760 4.740 0.001 0.000 0.185 315 N C -0.572 175.056 175.510 0.196 0.000 1.098 315 N CA 0.094 53.184 53.050 0.068 0.000 0.872 315 N CB 0.069 38.679 38.487 0.205 0.000 0.970 315 N HN 0.444 nan 8.380 nan 0.000 0.467 316 Y N -1.774 118.669 120.300 0.239 0.000 2.534 316 Y HA 0.752 5.302 4.550 0.001 0.000 0.329 316 Y C -0.134 175.789 175.900 0.039 0.000 1.154 316 Y CA -1.188 57.021 58.100 0.182 0.000 1.192 316 Y CB 0.731 39.234 38.460 0.072 0.000 1.275 316 Y HN -0.343 nan 8.280 nan 0.000 0.491 317 T N 2.803 117.481 114.554 0.207 0.000 2.886 317 T HA 0.542 4.893 4.350 0.001 0.000 0.292 317 T C -0.772 173.929 174.700 0.002 0.000 1.012 317 T CA -0.593 61.547 62.100 0.065 0.000 0.982 317 T CB 0.935 69.858 68.868 0.092 0.000 1.018 317 T HN 0.565 nan 8.240 nan 0.000 0.451 318 I N 3.072 123.564 120.570 -0.130 0.000 2.359 318 I HA 0.292 4.462 4.170 0.001 0.000 0.284 318 I C -0.046 176.057 176.117 -0.022 0.000 1.018 318 I CA -0.583 60.618 61.300 -0.166 0.000 1.173 318 I CB 1.197 38.964 38.000 -0.387 0.000 1.326 318 I HN 0.515 nan 8.210 nan 0.000 0.462 319 T N 5.217 119.770 114.554 -0.001 0.000 2.853 319 T HA 0.514 4.864 4.350 0.001 0.000 0.317 319 T C 0.816 175.546 174.700 0.049 0.000 1.059 319 T CA 0.199 62.329 62.100 0.051 0.000 0.954 319 T CB 1.337 70.230 68.868 0.042 0.000 0.994 319 T HN 1.030 nan 8.240 nan 0.000 0.479 320 G N 4.065 112.913 108.800 0.080 0.000 2.574 320 G HA2 -0.273 3.688 3.960 0.001 0.000 0.301 320 G HA3 -0.273 3.688 3.960 0.001 0.000 0.301 320 G C 0.256 175.146 174.900 -0.016 0.000 1.166 320 G CA 0.370 45.502 45.100 0.053 0.000 0.971 320 G HN 0.641 nan 8.290 nan 0.000 0.542 321 D N 1.203 121.524 120.400 -0.131 0.000 2.402 321 D HA 0.236 4.877 4.640 0.001 0.000 0.216 321 D C 0.865 176.893 176.300 -0.453 0.000 1.128 321 D CA 0.041 53.837 54.000 -0.339 0.000 0.833 321 D CB 0.190 40.624 40.800 -0.610 0.000 0.971 321 D HN 0.266 nan 8.370 nan 0.000 0.503 322 M N 1.290 120.738 119.600 -0.254 0.000 2.188 322 M HA 0.357 4.838 4.480 0.001 0.000 0.357 322 M C 0.016 176.139 176.300 -0.296 0.000 1.204 322 M CA -0.208 54.947 55.300 -0.241 0.000 1.095 322 M CB 2.017 34.597 32.600 -0.033 0.000 1.604 322 M HN -0.250 nan 8.290 nan 0.000 0.464 323 I N 2.590 122.824 120.570 -0.560 0.000 2.377 323 I HA 0.254 4.425 4.170 0.001 0.000 0.293 323 I C -0.434 175.433 176.117 -0.417 0.000 0.987 323 I CA -0.650 60.273 61.300 -0.627 0.000 1.185 323 I CB 1.349 38.640 38.000 -1.182 0.000 1.341 323 I HN 0.644 nan 8.210 nan 0.000 0.455 324 H N 5.772 124.737 119.070 -0.176 0.000 2.489 324 H HA 0.487 5.043 4.556 0.001 0.000 0.343 324 H C -1.933 173.506 175.328 0.185 0.000 1.086 324 H CA -0.635 55.410 56.048 -0.005 0.000 1.198 324 H CB 1.378 31.144 29.762 0.007 0.000 1.490 324 H HN 0.610 nan 8.280 nan 0.000 0.504 325 W N 8.636 129.577 121.300 -0.599 0.000 3.268 325 W HA 0.368 5.028 4.660 0.001 0.000 0.330 325 W C -0.725 175.643 176.519 -0.251 0.000 1.074 325 W CA -0.509 56.646 57.345 -0.317 0.000 1.263 325 W CB 0.526 29.965 29.460 -0.034 0.000 1.250 325 W HN 1.041 nan 8.180 nan 0.000 0.425 326 R N 2.534 122.593 120.500 -0.735 0.000 3.923 326 R HA -0.383 3.958 4.340 0.001 0.000 0.400 326 R C 0.658 176.677 176.300 -0.469 0.000 0.241 326 R CA 1.996 57.701 56.100 -0.658 0.000 1.284 326 R CB -1.169 28.548 30.300 -0.972 0.000 1.006 326 R HN 0.712 nan 8.270 nan 0.000 0.559 327 N N -0.312 118.060 118.700 -0.547 0.000 2.461 327 N HA 0.040 4.781 4.740 0.001 0.000 0.188 327 N C -0.219 174.943 175.510 -0.580 0.000 1.134 327 N CA 0.147 52.794 53.050 -0.672 0.000 0.878 327 N CB 0.068 37.801 38.487 -1.257 0.000 0.972 327 N HN 0.173 nan 8.380 nan 0.000 0.456 328 W N 1.324 122.497 121.300 -0.211 0.000 2.381 328 W HA 0.356 5.017 4.660 0.001 0.000 0.329 328 W C -0.189 176.372 176.519 0.071 0.000 1.157 328 W CA -0.591 56.779 57.345 0.041 0.000 1.240 328 W CB 0.934 30.534 29.460 0.233 0.000 1.199 328 W HN -0.171 nan 8.180 nan 0.000 0.579 329 D N 2.575 123.269 120.400 0.491 0.000 2.936 329 D HA 0.411 5.052 4.640 0.001 0.000 0.238 329 D C -1.084 175.441 176.300 0.375 0.000 1.248 329 D CA -0.336 53.851 54.000 0.312 0.000 0.903 329 D CB 2.134 43.110 40.800 0.294 0.000 1.544 329 D HN 0.259 nan 8.370 nan 0.000 0.543 330 F N -0.999 118.985 119.950 0.058 0.000 2.713 330 F HA 0.421 4.948 4.527 0.001 0.000 0.311 330 F C -1.465 174.301 175.800 -0.057 0.000 1.141 330 F CA -1.007 56.992 58.000 -0.002 0.000 0.939 330 F CB 1.732 40.661 39.000 -0.119 0.000 1.325 330 F HN 0.183 nan 8.300 nan 0.000 0.453 331 H N 2.106 121.165 119.070 -0.019 0.000 2.469 331 H HA 0.721 5.278 4.556 0.001 0.000 0.342 331 H C -2.027 173.230 175.328 -0.118 0.000 1.115 331 H CA -0.771 55.131 56.048 -0.244 0.000 1.204 331 H CB 2.144 31.581 29.762 -0.543 0.000 1.492 331 H HN 0.853 nan 8.280 nan 0.000 0.499 332 L N 4.588 125.531 121.223 -0.467 0.000 2.376 332 L HA 0.394 4.735 4.340 0.001 0.000 0.275 332 L C -1.062 175.582 176.870 -0.376 0.000 0.987 332 L CA -0.171 54.504 54.840 -0.276 0.000 0.828 332 L CB 1.487 43.454 42.059 -0.154 0.000 1.249 332 L HN 0.727 nan 8.230 nan 0.000 0.409 333 S N 3.916 119.478 115.700 -0.229 0.000 2.697 333 S HA 0.861 5.331 4.470 0.001 0.000 0.289 333 S C -0.795 173.691 174.600 -0.191 0.000 1.149 333 S CA -0.905 57.193 58.200 -0.171 0.000 0.850 333 S CB 1.704 64.884 63.200 -0.035 0.000 1.151 333 S HN 0.683 nan 8.310 nan 0.000 0.491 334 M N 2.547 122.055 119.600 -0.153 0.000 2.383 334 M HA 0.512 4.993 4.480 0.001 0.000 0.325 334 M C -1.162 175.056 176.300 -0.136 0.000 1.092 334 M CA -0.449 54.741 55.300 -0.183 0.000 0.961 334 M CB 1.719 34.238 32.600 -0.135 0.000 1.672 334 M HN 0.862 nan 8.290 nan 0.000 0.438 335 N N 1.498 120.101 118.700 -0.162 0.000 2.321 335 N HA 0.273 5.014 4.740 0.001 0.000 0.299 335 N C 0.131 175.612 175.510 -0.048 0.000 1.048 335 N CA 0.182 53.180 53.050 -0.087 0.000 0.836 335 N CB 1.757 40.196 38.487 -0.080 0.000 1.269 335 N HN 0.884 nan 8.380 nan 0.000 0.486 336 S N 3.298 119.002 115.700 0.007 0.000 2.423 336 S HA -0.117 4.354 4.470 0.001 0.000 0.231 336 S C 1.704 176.348 174.600 0.073 0.000 1.014 336 S CA 0.683 58.916 58.200 0.053 0.000 0.965 336 S CB 0.012 63.252 63.200 0.068 0.000 0.785 336 S HN 0.719 nan 8.310 nan 0.000 0.495 337 R N 0.797 121.323 120.500 0.044 0.000 2.055 337 R HA 0.083 4.423 4.340 0.001 0.000 0.221 337 R C 2.176 178.516 176.300 0.067 0.000 1.154 337 R CA 1.521 57.644 56.100 0.038 0.000 0.975 337 R CB -0.187 30.086 30.300 -0.045 0.000 0.869 337 R HN 0.471 nan 8.270 nan 0.000 0.437 338 V N -1.807 118.128 119.914 0.034 0.000 3.647 338 V HA 0.417 4.538 4.120 0.001 0.000 0.279 338 V C 0.816 176.752 176.094 -0.263 0.000 1.314 338 V CA 0.488 62.785 62.300 -0.006 0.000 1.125 338 V CB -0.139 31.709 31.823 0.043 0.000 0.907 338 V HN 0.653 nan 8.190 nan 0.000 0.434 339 G N 1.297 109.867 108.800 -0.384 0.000 2.498 339 G HA2 -0.187 3.774 3.960 0.001 0.000 0.245 339 G HA3 -0.187 3.774 3.960 0.001 0.000 0.245 339 G C -2.579 171.809 174.900 -0.854 0.000 1.204 339 G CA -0.177 44.310 45.100 -1.022 0.000 0.933 339 G HN 0.619 nan 8.290 nan 0.000 0.574 340 P HA 0.384 nan 4.420 nan 0.000 0.268 340 P C -0.399 176.565 177.300 -0.561 0.000 1.205 340 P CA 0.546 63.249 63.100 -0.662 0.000 0.771 340 P CB 0.521 31.868 31.700 -0.588 0.000 0.858 341 M N 3.268 122.596 119.600 -0.452 0.000 2.197 341 M HA 0.360 4.841 4.480 0.001 0.000 0.301 341 M C -0.581 175.476 176.300 -0.405 0.000 0.987 341 M CA -0.819 54.228 55.300 -0.421 0.000 0.921 341 M CB 1.923 34.353 32.600 -0.283 0.000 1.569 341 M HN 0.102 nan 8.290 nan 0.000 0.431 342 I N 2.807 123.066 120.570 -0.518 0.000 2.307 342 I HA 0.410 4.581 4.170 0.001 0.000 0.289 342 I C -0.068 175.890 176.117 -0.265 0.000 1.021 342 I CA -0.017 61.055 61.300 -0.380 0.000 1.224 342 I CB 0.683 38.347 38.000 -0.558 0.000 1.376 342 I HN 0.608 nan 8.210 nan 0.000 0.470 343 S N 2.996 118.604 115.700 -0.154 0.000 2.677 343 S HA 0.524 4.994 4.470 0.001 0.000 0.304 343 S C 0.067 174.565 174.600 -0.170 0.000 1.108 343 S CA -0.648 57.386 58.200 -0.278 0.000 0.944 343 S CB 1.733 64.675 63.200 -0.430 0.000 1.127 343 S HN 0.776 nan 8.310 nan 0.000 0.511 344 T N -1.543 112.771 114.554 -0.401 0.000 3.549 344 T HA -0.153 4.198 4.350 0.001 0.000 0.398 344 T C -0.115 174.736 174.700 0.252 0.000 0.766 344 T CA 0.001 61.897 62.100 -0.340 0.000 2.007 344 T CB -2.489 66.253 68.868 -0.210 0.000 1.727 344 T HN 0.470 nan 8.240 nan 0.000 0.693 345 V N 2.848 122.975 119.914 0.355 0.000 2.427 345 V HA 0.561 4.682 4.120 0.001 0.000 0.268 345 V C 1.229 177.701 176.094 0.630 0.000 1.046 345 V CA 0.225 62.819 62.300 0.490 0.000 0.970 345 V CB 0.722 32.779 31.823 0.389 0.000 1.001 345 V HN 0.997 nan 8.190 nan 0.000 0.476 346 T N 2.221 117.142 114.554 0.612 0.000 2.924 346 T HA 0.651 5.001 4.350 0.001 0.000 0.291 346 T C -1.091 173.897 174.700 0.481 0.000 1.045 346 T CA -0.771 61.632 62.100 0.505 0.000 1.015 346 T CB 1.925 71.022 68.868 0.381 0.000 1.103 346 T HN 0.383 nan 8.240 nan 0.000 0.496 347 Y N 1.909 122.330 120.300 0.202 0.000 2.331 347 Y HA 0.502 5.053 4.550 0.001 0.000 0.334 347 Y C -0.235 175.717 175.900 0.086 0.000 0.960 347 Y CA -1.218 56.872 58.100 -0.017 0.000 1.130 347 Y CB 1.379 39.764 38.460 -0.124 0.000 1.164 347 Y HN 0.833 nan 8.280 nan 0.000 0.458 348 N N 4.619 123.254 118.700 -0.108 0.000 2.399 348 N HA 0.032 4.772 4.740 0.001 0.000 0.259 348 N C -1.359 174.221 175.510 0.116 0.000 1.160 348 N CA 0.209 53.265 53.050 0.010 0.000 0.946 348 N CB 0.311 38.769 38.487 -0.048 0.000 1.156 348 N HN 0.590 nan 8.380 nan 0.000 0.489 349 D N 3.429 123.975 120.400 0.243 0.000 2.473 349 D HA 0.191 4.831 4.640 0.001 0.000 0.226 349 D C -0.534 175.846 176.300 0.133 0.000 1.089 349 D CA -0.180 53.990 54.000 0.282 0.000 0.883 349 D CB -0.753 40.230 40.800 0.305 0.000 1.029 349 D HN 0.711 nan 8.370 nan 0.000 0.517 350 N N 2.892 121.646 118.700 0.090 0.000 2.699 350 N HA -0.272 4.469 4.740 0.001 0.000 0.256 350 N C 0.926 176.455 175.510 0.032 0.000 0.993 350 N CA 0.492 53.569 53.050 0.045 0.000 0.759 350 N CB -0.612 37.900 38.487 0.042 0.000 0.906 350 N HN 0.731 nan 8.380 nan 0.000 0.541 351 G N -1.934 106.883 108.800 0.029 0.000 2.258 351 G HA2 -0.296 3.665 3.960 0.001 0.000 0.233 351 G HA3 -0.296 3.665 3.960 0.001 0.000 0.233 351 G C 0.149 175.066 174.900 0.028 0.000 1.006 351 G CA 0.403 45.515 45.100 0.020 0.000 0.620 351 G HN 0.414 nan 8.290 nan 0.000 0.511 352 T N 2.103 116.682 114.554 0.043 0.000 2.771 352 T HA 0.541 4.892 4.350 0.001 0.000 0.281 352 T C 0.016 174.759 174.700 0.072 0.000 0.982 352 T CA -0.419 61.705 62.100 0.039 0.000 0.978 352 T CB 1.765 70.644 68.868 0.019 0.000 0.930 352 T HN 0.294 nan 8.240 nan 0.000 0.447 353 K N 3.597 124.039 120.400 0.070 0.000 2.349 353 K HA 0.256 4.576 4.320 0.001 0.000 0.289 353 K C 0.218 176.876 176.600 0.097 0.000 1.064 353 K CA -0.202 56.151 56.287 0.110 0.000 0.947 353 K CB 0.740 33.309 32.500 0.116 0.000 1.007 353 K HN 0.389 nan 8.250 nan 0.000 0.478 354 R N 2.852 123.454 120.500 0.169 0.000 2.407 354 R HA 0.216 4.557 4.340 0.001 0.000 0.303 354 R C -0.267 176.143 176.300 0.183 0.000 0.981 354 R CA -0.795 55.391 56.100 0.143 0.000 0.905 354 R CB 1.320 31.727 30.300 0.179 0.000 1.099 354 R HN 0.336 nan 8.270 nan 0.000 0.459 355 K N 1.032 121.438 120.400 0.009 0.000 2.355 355 K HA 0.071 4.391 4.320 0.001 0.000 0.270 355 K C 0.312 177.017 176.600 0.175 0.000 1.003 355 K CA -0.157 56.099 56.287 -0.051 0.000 0.957 355 K CB 0.996 33.247 32.500 -0.415 0.000 0.939 355 K HN 0.314 nan 8.250 nan 0.000 0.482 356 V N 1.587 121.647 119.914 0.244 0.000 3.141 356 V HA 0.158 4.279 4.120 0.001 0.000 0.225 356 V C -0.218 175.929 176.094 0.088 0.000 1.352 356 V CA 0.012 62.358 62.300 0.076 0.000 1.316 356 V CB 0.510 32.383 31.823 0.083 0.000 1.126 356 V HN 0.775 nan 8.190 nan 0.000 0.493 357 M N -1.242 118.527 119.600 0.282 0.000 2.255 357 M HA 0.355 4.836 4.480 0.001 0.000 0.275 357 M C -0.294 176.198 176.300 0.320 0.000 1.050 357 M CA -0.550 54.887 55.300 0.230 0.000 0.978 357 M CB 2.102 34.750 32.600 0.081 0.000 1.761 357 M HN 0.247 nan 8.290 nan 0.000 0.479 358 Y N 3.236 123.640 120.300 0.174 0.000 2.243 358 Y HA 0.278 4.828 4.550 0.001 0.000 0.293 358 Y C -0.000 175.780 175.900 -0.199 0.000 1.124 358 Y CA 1.595 59.628 58.100 -0.113 0.000 1.159 358 Y CB 0.563 38.957 38.460 -0.111 0.000 1.008 358 Y HN 0.723 nan 8.280 nan 0.000 0.527 359 E N -0.513 119.559 120.200 -0.214 0.000 2.311 359 E HA 0.486 4.837 4.350 0.001 0.000 0.281 359 E C -1.373 175.117 176.600 -0.183 0.000 0.905 359 E CA -0.460 55.755 56.400 -0.310 0.000 0.778 359 E CB 1.456 30.965 29.700 -0.319 0.000 1.240 359 E HN 0.295 nan 8.360 nan 0.000 0.410 360 G N 1.549 110.205 108.800 -0.240 0.000 2.591 360 G HA2 0.672 4.633 3.960 0.001 0.000 0.306 360 G HA3 0.672 4.633 3.960 0.001 0.000 0.306 360 G C -1.070 173.617 174.900 -0.354 0.000 1.334 360 G CA -0.115 44.876 45.100 -0.182 0.000 0.981 360 G HN 0.626 nan 8.290 nan 0.000 0.491 361 S N 0.631 116.292 115.700 -0.066 0.000 2.643 361 S HA 0.563 5.034 4.470 0.001 0.000 0.266 361 S C -1.172 173.645 174.600 0.362 0.000 1.130 361 S CA -0.818 57.353 58.200 -0.049 0.000 0.817 361 S CB 0.977 64.069 63.200 -0.181 0.000 1.107 361 S HN 1.547 nan 8.310 nan 0.000 0.471 362 L N 1.854 123.261 121.223 0.308 0.000 2.461 362 L HA 0.646 4.987 4.340 0.001 0.000 0.272 362 L C 1.220 178.135 176.870 0.075 0.000 1.197 362 L CA 1.342 56.289 54.840 0.178 0.000 0.836 362 L CB 0.330 42.348 42.059 -0.068 0.000 1.105 362 L HN 1.023 nan 8.230 nan 0.000 0.477 363 G N 2.428 111.245 108.800 0.028 0.000 2.564 363 G HA2 0.504 4.464 3.960 0.001 0.000 0.212 363 G HA3 0.504 4.464 3.960 0.001 0.000 0.212 363 G C 0.329 175.288 174.900 0.098 0.000 1.199 363 G CA 0.450 45.617 45.100 0.112 0.000 0.832 363 G HN 1.125 nan 8.290 nan 0.000 0.565 364 G N -1.084 107.686 108.800 -0.049 0.000 2.451 364 G HA2 0.564 4.525 3.960 0.001 0.000 0.292 364 G HA3 0.564 4.525 3.960 0.001 0.000 0.292 364 G C -1.097 173.763 174.900 -0.067 0.000 1.427 364 G CA -0.304 44.749 45.100 -0.078 0.000 0.792 364 G HN 0.809 nan 8.290 nan 0.000 0.498 365 M N -0.807 118.809 119.600 0.027 0.000 2.622 365 M HA 0.873 5.354 4.480 0.001 0.000 0.276 365 M C -1.813 174.608 176.300 0.201 0.000 1.265 365 M CA -1.067 54.300 55.300 0.112 0.000 0.850 365 M CB 2.720 35.337 32.600 0.028 0.000 1.720 365 M HN 0.687 nan 8.290 nan 0.000 0.465 366 I N 1.592 122.279 120.570 0.194 0.000 2.722 366 I HA 0.649 4.819 4.170 0.001 0.000 0.295 366 I C -1.769 174.408 176.117 0.101 0.000 1.161 366 I CA -0.976 60.445 61.300 0.203 0.000 1.032 366 I CB 2.517 40.659 38.000 0.237 0.000 1.244 366 I HN 0.658 nan 8.210 nan 0.000 0.421 367 V N 8.355 128.377 119.914 0.179 0.000 2.315 367 V HA 0.370 4.491 4.120 0.001 0.000 0.265 367 V C -2.395 173.840 176.094 0.236 0.000 1.019 367 V CA -1.139 61.233 62.300 0.122 0.000 0.824 367 V CB 0.975 32.895 31.823 0.161 0.000 1.072 367 V HN 0.540 nan 8.190 nan 0.000 0.448 368 P HA 0.413 nan 4.420 nan 0.000 0.290 368 P C -1.252 176.120 177.300 0.120 0.000 1.276 368 P CA -0.375 62.907 63.100 0.303 0.000 0.808 368 P CB 1.452 33.444 31.700 0.486 0.000 0.966 369 Y N 0.573 121.008 120.300 0.226 0.000 2.432 369 Y HA 0.524 5.074 4.550 0.001 0.000 0.322 369 Y C 1.852 177.799 175.900 0.079 0.000 1.246 369 Y CA 0.301 58.508 58.100 0.178 0.000 1.268 369 Y CB 1.157 39.777 38.460 0.268 0.000 1.276 369 Y HN 0.487 nan 8.280 nan 0.000 0.499 370 G N 0.006 108.897 108.800 0.151 0.000 3.651 370 G HA2 0.026 3.986 3.960 0.001 0.000 0.279 370 G HA3 0.026 3.986 3.960 0.001 0.000 0.279 370 G C -0.746 174.121 174.900 -0.055 0.000 1.024 370 G CA -0.103 45.005 45.100 0.015 0.000 0.813 370 G HN 0.487 nan 8.290 nan 0.000 0.518 371 D N 1.016 121.365 120.400 -0.086 0.000 2.193 371 D HA 0.269 4.909 4.640 0.001 0.000 0.244 371 D C -1.526 174.632 176.300 -0.237 0.000 1.064 371 D CA -1.933 51.789 54.000 -0.463 0.000 0.845 371 D CB 3.044 43.553 40.800 -0.484 0.000 1.148 371 D HN 0.013 nan 8.370 nan 0.000 0.464 372 P HA 0.061 nan 4.420 nan 0.000 0.245 372 P C -0.218 177.097 177.300 0.026 0.000 1.206 372 P CA -0.117 62.913 63.100 -0.116 0.000 0.781 372 P CB 0.608 32.197 31.700 -0.186 0.000 0.994 373 D N 0.645 121.057 120.400 0.020 0.000 2.362 373 D HA -0.024 4.617 4.640 0.001 0.000 0.238 373 D C 1.924 178.429 176.300 0.342 0.000 1.212 373 D CA -0.070 54.027 54.000 0.162 0.000 0.902 373 D CB 0.628 41.512 40.800 0.140 0.000 1.180 373 D HN 0.076 nan 8.370 nan 0.000 0.445 374 I N -1.683 119.062 120.570 0.292 0.000 2.248 374 I HA -0.137 4.033 4.170 0.001 0.000 0.248 374 I C 1.589 177.880 176.117 0.289 0.000 1.107 374 I CA 1.732 63.235 61.300 0.339 0.000 1.373 374 I CB -0.429 37.693 38.000 0.204 0.000 1.055 374 I HN 0.284 nan 8.210 nan 0.000 0.418 375 G N -1.027 107.893 108.800 0.200 0.000 3.181 375 G HA2 0.121 4.082 3.960 0.001 0.000 0.219 375 G HA3 0.121 4.082 3.960 0.001 0.000 0.219 375 G C 0.466 174.971 174.900 -0.659 0.000 1.182 375 G CA -0.143 44.898 45.100 -0.097 0.000 0.791 375 G HN 0.654 nan 8.290 nan 0.000 0.537 376 W N -1.777 119.369 121.300 -0.257 0.000 2.926 376 W HA 0.176 4.837 4.660 0.002 0.000 0.221 376 W C 1.950 178.175 176.519 -0.490 0.000 1.030 376 W CA -0.325 56.736 57.345 -0.474 0.000 1.330 376 W CB -0.351 28.973 29.460 -0.226 0.000 0.787 376 W HN 0.196 nan 8.180 nan 0.000 0.736 377 Y N 1.069 121.355 120.300 -0.022 0.000 2.241 377 Y HA -0.286 4.265 4.550 0.001 0.000 0.286 377 Y C 1.692 177.668 175.900 0.127 0.000 1.166 377 Y CA 1.603 59.730 58.100 0.046 0.000 1.203 377 Y CB -1.794 36.679 38.460 0.022 0.000 0.977 377 Y HN 0.071 nan 8.280 nan 0.000 0.529 378 F N 0.687 120.418 119.950 -0.365 0.000 2.776 378 F HA 0.340 4.867 4.527 0.002 0.000 0.300 378 F C 0.991 176.789 175.800 -0.004 0.000 1.116 378 F CA -0.974 57.000 58.000 -0.044 0.000 1.375 378 F CB -0.534 38.254 39.000 -0.353 0.000 1.109 378 F HN -0.107 nan 8.300 nan 0.000 0.585 379 K N 2.283 122.223 120.400 -0.768 0.000 2.336 379 K HA 0.474 4.795 4.320 0.001 0.000 0.290 379 K C -0.547 176.034 176.600 -0.033 0.000 1.067 379 K CA 0.333 56.300 56.287 -0.532 0.000 0.962 379 K CB 0.111 32.096 32.500 -0.858 0.000 1.008 379 K HN 0.324 nan 8.250 nan 0.000 0.467 380 A N 5.759 128.541 122.820 -0.062 0.000 3.422 380 A HA 0.197 4.518 4.320 0.001 0.000 0.271 380 A C -1.443 176.223 177.584 0.138 0.000 1.104 380 A CA -0.725 51.405 52.037 0.155 0.000 0.899 380 A CB -0.034 19.055 19.000 0.149 0.000 1.309 380 A HN 0.695 nan 8.150 nan 0.000 0.580 381 Y N 0.105 120.549 120.300 0.239 0.000 2.802 381 Y HA 0.182 4.733 4.550 0.001 0.000 0.333 381 Y C 0.456 176.495 175.900 0.232 0.000 1.244 381 Y CA 0.139 58.393 58.100 0.256 0.000 1.558 381 Y CB 0.161 38.750 38.460 0.215 0.000 1.233 381 Y HN 0.373 nan 8.280 nan 0.000 0.547 382 L N 5.087 126.538 121.223 0.380 0.000 2.494 382 L HA 0.221 4.562 4.340 0.001 0.000 0.251 382 L C 0.843 177.917 176.870 0.341 0.000 1.119 382 L CA -0.121 54.883 54.840 0.274 0.000 1.026 382 L CB 0.141 42.303 42.059 0.172 0.000 1.370 382 L HN 0.636 nan 8.230 nan 0.000 0.426 383 D N -0.017 120.587 120.400 0.340 0.000 2.133 383 D HA -0.246 4.394 4.640 0.001 0.000 0.192 383 D C 1.961 178.455 176.300 0.324 0.000 1.001 383 D CA 2.048 56.260 54.000 0.353 0.000 0.844 383 D CB 0.167 41.117 40.800 0.249 0.000 0.944 383 D HN 0.570 nan 8.370 nan 0.000 0.447 384 S N -0.092 115.732 115.700 0.207 0.000 2.377 384 S HA 0.017 4.487 4.470 0.001 0.000 0.223 384 S C 2.236 176.875 174.600 0.065 0.000 1.030 384 S CA 1.152 59.447 58.200 0.158 0.000 0.970 384 S CB -0.546 62.726 63.200 0.120 0.000 0.830 384 S HN 0.259 nan 8.310 nan 0.000 0.473 385 G N 1.296 110.095 108.800 -0.001 0.000 2.394 385 G HA2 -0.069 3.892 3.960 0.001 0.000 0.215 385 G HA3 -0.069 3.892 3.960 0.001 0.000 0.215 385 G C 1.084 175.949 174.900 -0.059 0.000 1.165 385 G CA 0.906 45.932 45.100 -0.123 0.000 0.784 385 G HN 0.507 nan 8.290 nan 0.000 0.535 386 D N -1.252 119.165 120.400 0.027 0.000 2.346 386 D HA 0.109 4.750 4.640 0.001 0.000 0.206 386 D C 1.156 177.313 176.300 -0.239 0.000 1.001 386 D CA 0.432 54.372 54.000 -0.099 0.000 0.871 386 D CB 0.213 40.939 40.800 -0.123 0.000 0.943 386 D HN 0.462 nan 8.370 nan 0.000 0.518 387 Y N -0.485 119.894 120.300 0.132 0.000 2.423 387 Y HA 0.331 4.882 4.550 0.001 0.000 0.257 387 Y C 1.070 177.060 175.900 0.150 0.000 1.087 387 Y CA 0.076 58.284 58.100 0.180 0.000 1.258 387 Y CB 1.064 39.671 38.460 0.245 0.000 1.237 387 Y HN -0.110 nan 8.280 nan 0.000 0.517 388 G N 1.551 110.495 108.800 0.240 0.000 2.738 388 G HA2 -0.257 3.704 3.960 0.001 0.000 0.262 388 G HA3 -0.257 3.704 3.960 0.001 0.000 0.262 388 G C 0.389 175.434 174.900 0.242 0.000 1.032 388 G CA 0.236 45.447 45.100 0.185 0.000 1.278 388 G HN 0.283 nan 8.290 nan 0.000 0.537 389 M N 1.048 120.817 119.600 0.283 0.000 2.229 389 M HA 0.036 4.516 4.480 0.001 0.000 0.264 389 M C 2.717 179.322 176.300 0.508 0.000 1.063 389 M CA 2.107 57.636 55.300 0.382 0.000 1.114 389 M CB -0.099 32.774 32.600 0.454 0.000 1.387 389 M HN 0.607 nan 8.290 nan 0.000 0.420 390 G N -0.130 108.908 108.800 0.396 0.000 2.404 390 G HA2 -0.170 3.791 3.960 0.001 0.000 0.215 390 G HA3 -0.170 3.791 3.960 0.001 0.000 0.215 390 G C 1.496 176.560 174.900 0.274 0.000 1.174 390 G CA 1.345 46.640 45.100 0.326 0.000 0.780 390 G HN 0.345 nan 8.290 nan 0.000 0.537 391 T N 1.270 115.947 114.554 0.206 0.000 2.759 391 T HA -0.031 4.320 4.350 0.001 0.000 0.269 391 T C 1.978 176.778 174.700 0.166 0.000 1.042 391 T CA 0.683 62.883 62.100 0.167 0.000 1.140 391 T CB -0.165 68.795 68.868 0.153 0.000 0.864 391 T HN 0.119 nan 8.240 nan 0.000 0.455 392 L N 1.532 122.869 121.223 0.188 0.000 2.672 392 L HA 0.144 4.485 4.340 0.001 0.000 0.236 392 L C 0.638 177.590 176.870 0.137 0.000 1.186 392 L CA -0.271 54.654 54.840 0.142 0.000 0.977 392 L CB -0.629 41.510 42.059 0.134 0.000 1.203 392 L HN 0.087 nan 8.230 nan 0.000 0.448 393 T N 0.049 114.734 114.554 0.218 0.000 2.946 393 T HA -0.012 4.339 4.350 0.001 0.000 0.312 393 T C 0.628 175.385 174.700 0.096 0.000 1.066 393 T CA 0.387 62.622 62.100 0.225 0.000 1.138 393 T CB 0.609 69.717 68.868 0.401 0.000 1.014 393 T HN 0.130 nan 8.240 nan 0.000 0.544 394 S N 5.026 120.733 115.700 0.011 0.000 2.422 394 S HA 0.361 4.832 4.470 0.001 0.000 0.308 394 S C -2.255 172.362 174.600 0.028 0.000 1.097 394 S CA -1.195 57.005 58.200 0.000 0.000 1.099 394 S CB 1.030 64.195 63.200 -0.057 0.000 0.976 394 S HN 0.453 nan 8.310 nan 0.000 0.471 395 P HA 0.058 nan 4.420 nan 0.000 0.264 395 P C -0.271 177.050 177.300 0.034 0.000 1.193 395 P CA -0.117 63.013 63.100 0.050 0.000 0.763 395 P CB 0.224 31.946 31.700 0.035 0.000 0.810 396 I N 2.181 122.782 120.570 0.051 0.000 2.683 396 I HA 0.043 4.214 4.170 0.001 0.000 0.286 396 I C 0.920 177.048 176.117 0.019 0.000 1.175 396 I CA 0.053 61.378 61.300 0.042 0.000 1.429 396 I CB -0.026 38.017 38.000 0.072 0.000 1.371 396 I HN 0.355 nan 8.210 nan 0.000 0.569 397 A N 7.785 130.608 122.820 0.005 0.000 2.343 397 A HA 0.253 4.574 4.320 0.001 0.000 0.305 397 A C 0.674 178.253 177.584 -0.008 0.000 1.308 397 A CA -0.555 51.479 52.037 -0.004 0.000 0.949 397 A CB 0.019 19.015 19.000 -0.008 0.000 1.148 397 A HN 0.804 nan 8.150 nan 0.000 0.545 398 R N 2.106 122.600 120.500 -0.010 0.000 2.523 398 R HA 0.217 4.557 4.340 0.001 0.000 0.281 398 R C 1.448 177.734 176.300 -0.022 0.000 0.969 398 R CA 1.769 57.860 56.100 -0.015 0.000 1.093 398 R CB -0.005 30.283 30.300 -0.019 0.000 0.917 398 R HN 1.597 nan 8.270 nan 0.000 0.408 399 G N 3.151 111.929 108.800 -0.036 0.000 2.267 399 G HA2 -0.357 3.604 3.960 0.001 0.000 0.257 399 G HA3 -0.357 3.604 3.960 0.001 0.000 0.257 399 G C 0.748 175.621 174.900 -0.046 0.000 0.998 399 G CA 0.786 45.861 45.100 -0.042 0.000 0.620 399 G HN 0.649 nan 8.290 nan 0.000 0.529 400 K N -0.770 119.608 120.400 -0.037 0.000 2.266 400 K HA 0.153 4.474 4.320 0.001 0.000 0.209 400 K C 1.410 177.992 176.600 -0.031 0.000 1.065 400 K CA 0.492 56.761 56.287 -0.030 0.000 0.946 400 K CB 0.067 32.556 32.500 -0.019 0.000 1.069 400 K HN 0.093 nan 8.250 nan 0.000 0.472 401 D N 0.570 120.957 120.400 -0.023 0.000 2.347 401 D HA 0.061 4.702 4.640 0.001 0.000 0.215 401 D C -0.114 176.183 176.300 -0.005 0.000 0.976 401 D CA 0.463 54.461 54.000 -0.004 0.000 0.884 401 D CB 0.552 41.356 40.800 0.006 0.000 0.915 401 D HN 0.181 nan 8.370 nan 0.000 0.526 402 A N 0.410 123.184 122.820 -0.078 0.000 2.572 402 A HA 0.562 4.883 4.320 0.001 0.000 0.295 402 A C -2.720 174.668 177.584 -0.327 0.000 1.072 402 A CA -1.288 50.602 52.037 -0.245 0.000 0.691 402 A CB 1.582 20.498 19.000 -0.139 0.000 1.291 402 A HN -0.230 nan 8.150 nan 0.000 0.404 403 P HA 0.086 nan 4.420 nan 0.000 0.270 403 P C 1.022 178.204 177.300 -0.196 0.000 1.223 403 P CA 0.449 63.338 63.100 -0.351 0.000 0.785 403 P CB 0.777 32.226 31.700 -0.419 0.000 0.923 404 S N 0.650 116.297 115.700 -0.089 0.000 2.465 404 S HA -0.180 4.291 4.470 0.001 0.000 0.241 404 S C 1.146 175.761 174.600 0.025 0.000 1.000 404 S CA 1.053 59.243 58.200 -0.017 0.000 0.964 404 S CB -1.097 62.109 63.200 0.011 0.000 0.763 404 S HN 0.652 nan 8.310 nan 0.000 0.512 405 N N 1.700 120.412 118.700 0.020 0.000 2.251 405 N HA 0.323 5.064 4.740 0.001 0.000 0.217 405 N C 0.128 175.722 175.510 0.140 0.000 1.124 405 N CA 0.208 53.313 53.050 0.093 0.000 0.843 405 N CB -0.015 38.535 38.487 0.105 0.000 1.024 405 N HN 0.485 nan 8.380 nan 0.000 0.501 406 A N 0.261 123.133 122.820 0.087 0.000 2.287 406 A HA 0.558 4.879 4.320 0.001 0.000 0.273 406 A C -0.235 177.471 177.584 0.203 0.000 1.091 406 A CA -0.478 51.669 52.037 0.184 0.000 0.817 406 A CB 0.957 20.017 19.000 0.098 0.000 1.069 406 A HN 0.068 nan 8.150 nan 0.000 0.492 407 V N 1.875 121.938 119.914 0.248 0.000 2.384 407 V HA 0.341 4.462 4.120 0.001 0.000 0.287 407 V C -0.404 175.817 176.094 0.212 0.000 1.020 407 V CA -0.194 62.257 62.300 0.252 0.000 0.850 407 V CB 1.077 33.087 31.823 0.311 0.000 0.987 407 V HN 0.663 nan 8.190 nan 0.000 0.436 408 L N 6.375 127.707 121.223 0.182 0.000 2.282 408 L HA 0.598 4.939 4.340 0.001 0.000 0.288 408 L C -0.473 176.487 176.870 0.151 0.000 1.033 408 L CA -0.411 54.515 54.840 0.144 0.000 0.807 408 L CB 1.194 43.306 42.059 0.088 0.000 1.209 408 L HN 0.387 nan 8.230 nan 0.000 0.423 409 L N 2.922 124.232 121.223 0.146 0.000 2.343 409 L HA 0.499 4.840 4.340 0.001 0.000 0.275 409 L C -0.148 176.764 176.870 0.070 0.000 1.056 409 L CA -0.753 54.162 54.840 0.126 0.000 0.804 409 L CB 1.041 43.177 42.059 0.128 0.000 1.203 409 L HN 0.576 nan 8.230 nan 0.000 0.440 410 N N 1.509 120.228 118.700 0.032 0.000 2.466 410 N HA 0.453 5.193 4.740 0.001 0.000 0.294 410 N C -0.794 174.726 175.510 0.015 0.000 1.129 410 N CA -0.584 52.478 53.050 0.019 0.000 0.931 410 N CB 1.950 40.432 38.487 -0.008 0.000 1.193 410 N HN 0.498 nan 8.380 nan 0.000 0.500 411 E N 0.334 120.546 120.200 0.020 0.000 2.340 411 E HA 0.412 4.763 4.350 0.001 0.000 0.273 411 E C -0.834 175.771 176.600 0.008 0.000 0.891 411 E CA -0.568 55.835 56.400 0.005 0.000 0.757 411 E CB 2.164 31.864 29.700 -0.000 0.000 1.231 411 E HN 0.322 nan 8.360 nan 0.000 0.439 412 T N 2.538 117.088 114.554 -0.005 0.000 2.807 412 T HA 0.712 5.063 4.350 0.001 0.000 0.279 412 T C 0.262 174.960 174.700 -0.004 0.000 0.993 412 T CA -0.534 61.565 62.100 -0.003 0.000 0.970 412 T CB 0.470 69.331 68.868 -0.011 0.000 0.950 412 T HN 0.446 nan 8.240 nan 0.000 0.441 413 I N -0.544 120.029 120.570 0.006 0.000 3.354 413 I HA 0.967 5.138 4.170 0.001 0.000 0.316 413 I C -0.815 175.306 176.117 0.006 0.000 1.182 413 I CA -1.869 59.435 61.300 0.008 0.000 0.942 413 I CB 1.793 39.809 38.000 0.027 0.000 1.299 413 I HN 0.603 nan 8.210 nan 0.000 0.473 414 A N 1.927 124.750 122.820 0.006 0.000 2.309 414 A HA 0.571 4.892 4.320 0.001 0.000 0.298 414 A C -0.641 176.965 177.584 0.038 0.000 1.165 414 A CA -0.375 51.657 52.037 -0.008 0.000 0.821 414 A CB 0.310 19.286 19.000 -0.040 0.000 1.102 414 A HN 0.847 nan 8.150 nan 0.000 0.500 415 D N 0.591 121.007 120.400 0.027 0.000 2.411 415 D HA 0.096 4.737 4.640 0.001 0.000 0.251 415 D C 0.773 177.142 176.300 0.114 0.000 1.201 415 D CA -0.111 53.938 54.000 0.081 0.000 0.996 415 D CB 0.018 40.848 40.800 0.051 0.000 1.101 415 D HN 0.634 nan 8.370 nan 0.000 0.504 416 Y N -1.860 118.518 120.300 0.131 0.000 2.569 416 Y HA -0.038 4.513 4.550 0.001 0.000 0.293 416 Y C 1.695 177.767 175.900 0.286 0.000 1.144 416 Y CA 1.258 59.470 58.100 0.188 0.000 1.321 416 Y CB -1.121 37.419 38.460 0.132 0.000 0.982 416 Y HN 0.368 nan 8.280 nan 0.000 0.558 417 T N -3.792 110.510 114.554 -0.420 0.000 3.086 417 T HA 0.453 4.803 4.350 0.001 0.000 0.250 417 T C 1.579 176.360 174.700 0.135 0.000 1.074 417 T CA 0.252 62.264 62.100 -0.147 0.000 0.988 417 T CB -0.293 68.398 68.868 -0.294 0.000 0.988 417 T HN 0.877 nan 8.240 nan 0.000 0.530 418 G N 0.554 109.367 108.800 0.023 0.000 2.157 418 G HA2 -0.202 3.758 3.960 0.001 0.000 0.248 418 G HA3 -0.202 3.758 3.960 0.001 0.000 0.248 418 G C -0.041 174.734 174.900 -0.209 0.000 0.979 418 G CA -0.088 44.825 45.100 -0.311 0.000 0.650 418 G HN 0.677 nan 8.290 nan 0.000 0.529 419 V N 1.882 121.723 119.914 -0.121 0.000 2.481 419 V HA 0.487 4.608 4.120 0.001 0.000 0.286 419 V C -1.585 174.469 176.094 -0.066 0.000 1.042 419 V CA -1.711 60.534 62.300 -0.091 0.000 0.928 419 V CB 1.698 33.478 31.823 -0.071 0.000 0.986 419 V HN 0.088 nan 8.190 nan 0.000 0.462 420 P HA 0.095 nan 4.420 nan 0.000 0.265 420 P C -0.599 176.690 177.300 -0.018 0.000 1.187 420 P CA 0.267 63.344 63.100 -0.038 0.000 0.766 420 P CB 0.328 32.006 31.700 -0.037 0.000 0.820 421 M N 2.021 121.619 119.600 -0.003 0.000 2.267 421 M HA 0.272 4.753 4.480 0.001 0.000 0.289 421 M C -0.933 175.377 176.300 0.017 0.000 1.043 421 M CA -0.558 54.749 55.300 0.013 0.000 0.928 421 M CB 1.888 34.505 32.600 0.029 0.000 1.613 421 M HN 0.230 nan 8.290 nan 0.000 0.450 422 E N 5.277 125.486 120.200 0.015 0.000 2.115 422 E HA 0.415 4.766 4.350 0.001 0.000 0.282 422 E C -1.404 175.213 176.600 0.028 0.000 0.987 422 E CA -0.472 55.937 56.400 0.015 0.000 0.797 422 E CB 1.026 30.729 29.700 0.005 0.000 1.086 422 E HN 0.704 nan 8.360 nan 0.000 0.397 423 I N 7.903 128.496 120.570 0.039 0.000 2.304 423 I HA 0.245 4.416 4.170 0.001 0.000 0.291 423 I C -1.999 174.147 176.117 0.049 0.000 1.018 423 I CA -2.202 59.132 61.300 0.057 0.000 1.260 423 I CB 1.115 39.169 38.000 0.090 0.000 1.390 423 I HN 0.374 nan 8.210 nan 0.000 0.475 424 P HA 0.149 nan 4.420 nan 0.000 0.279 424 P C -0.543 176.781 177.300 0.041 0.000 1.239 424 P CA -0.346 62.769 63.100 0.024 0.000 0.789 424 P CB 0.617 32.322 31.700 0.009 0.000 0.933 425 R N 1.110 121.633 120.500 0.038 0.000 3.405 425 R HA -0.229 4.112 4.340 0.001 0.000 0.258 425 R C 1.111 177.473 176.300 0.104 0.000 1.030 425 R CA 0.478 56.614 56.100 0.061 0.000 0.691 425 R CB -2.480 27.844 30.300 0.039 0.000 1.093 425 R HN 0.605 nan 8.270 nan 0.000 0.448 426 A N 0.244 123.137 122.820 0.122 0.000 1.969 426 A HA 0.087 4.408 4.320 0.001 0.000 0.218 426 A C 1.027 178.775 177.584 0.273 0.000 1.169 426 A CA 0.959 53.111 52.037 0.192 0.000 0.635 426 A CB 0.285 19.382 19.000 0.161 0.000 0.810 426 A HN 0.381 nan 8.150 nan 0.000 0.445 427 I N -1.579 119.112 120.570 0.200 0.000 2.656 427 I HA 0.532 4.702 4.170 0.001 0.000 0.292 427 I C -0.403 175.825 176.117 0.185 0.000 1.144 427 I CA -0.746 60.687 61.300 0.221 0.000 1.038 427 I CB 2.258 40.345 38.000 0.146 0.000 1.244 427 I HN 0.100 nan 8.210 nan 0.000 0.420 428 A N 5.416 128.369 122.820 0.221 0.000 2.317 428 A HA 0.843 5.164 4.320 0.001 0.000 0.327 428 A C -0.935 176.766 177.584 0.196 0.000 1.178 428 A CA -0.528 51.651 52.037 0.237 0.000 0.817 428 A CB 1.464 20.653 19.000 0.315 0.000 1.189 428 A HN 0.421 nan 8.150 nan 0.000 0.489 429 V N 3.016 123.009 119.914 0.132 0.000 2.487 429 V HA 0.726 4.847 4.120 0.001 0.000 0.298 429 V C -1.098 175.006 176.094 0.016 0.000 1.028 429 V CA -0.238 61.998 62.300 -0.107 0.000 0.860 429 V CB 0.789 32.434 31.823 -0.298 0.000 0.991 429 V HN 0.881 nan 8.190 nan 0.000 0.427 430 F N 1.491 121.316 119.950 -0.208 0.000 2.628 430 F HA 0.701 5.228 4.527 0.001 0.000 0.309 430 F C -0.730 174.990 175.800 -0.134 0.000 1.108 430 F CA -1.068 56.880 58.000 -0.087 0.000 0.971 430 F CB 1.406 40.408 39.000 0.004 0.000 1.279 430 F HN 0.479 nan 8.300 nan 0.000 0.441 431 E N 2.871 123.175 120.200 0.174 0.000 2.277 431 E HA 0.682 5.032 4.350 0.001 0.000 0.274 431 E C -0.962 175.764 176.600 0.209 0.000 1.022 431 E CA -0.866 55.573 56.400 0.065 0.000 0.853 431 E CB 1.292 31.148 29.700 0.261 0.000 1.086 431 E HN 0.866 nan 8.360 nan 0.000 0.397 432 R N 2.600 123.185 120.500 0.142 0.000 2.668 432 R HA 0.232 4.572 4.340 0.001 0.000 0.272 432 R C -1.474 174.916 176.300 0.150 0.000 1.019 432 R CA -0.984 55.231 56.100 0.191 0.000 0.894 432 R CB 0.488 30.915 30.300 0.211 0.000 1.228 432 R HN 0.532 nan 8.270 nan 0.000 0.460 433 Y N 1.690 122.028 120.300 0.063 0.000 2.425 433 Y HA 0.411 4.961 4.550 0.001 0.000 0.331 433 Y C -0.321 175.583 175.900 0.007 0.000 1.157 433 Y CA 0.336 58.458 58.100 0.036 0.000 1.372 433 Y CB 1.243 39.717 38.460 0.023 0.000 1.253 433 Y HN 0.843 nan 8.280 nan 0.000 0.536 434 A N 5.229 127.627 122.820 -0.702 0.000 2.806 434 A HA 0.609 4.930 4.320 0.001 0.000 0.266 434 A C 0.595 177.799 177.584 -0.634 0.000 0.926 434 A CA 0.110 51.845 52.037 -0.504 0.000 1.068 434 A CB -0.801 18.020 19.000 -0.298 0.000 1.189 434 A HN 1.797 nan 8.150 nan 0.000 0.481 435 G N 0.703 108.775 108.800 -1.214 0.000 2.741 435 G HA2 -0.098 3.863 3.960 0.001 0.000 0.222 435 G HA3 -0.098 3.863 3.960 0.001 0.000 0.222 435 G C -3.078 171.588 174.900 -0.390 0.000 1.364 435 G CA -0.385 44.387 45.100 -0.546 0.000 0.866 435 G HN 0.482 nan 8.290 nan 0.000 0.555 436 P HA 0.321 nan 4.420 nan 0.000 0.281 436 P C 0.423 177.651 177.300 -0.120 0.000 1.252 436 P CA 0.008 63.053 63.100 -0.092 0.000 0.778 436 P CB 1.700 33.388 31.700 -0.020 0.000 0.895 437 E N 4.031 124.125 120.200 -0.176 0.000 2.106 437 E HA -0.124 4.226 4.350 0.001 0.000 0.192 437 E C -0.108 176.470 176.600 -0.037 0.000 0.984 437 E CA 1.517 57.834 56.400 -0.138 0.000 0.806 437 E CB -0.314 29.265 29.700 -0.201 0.000 0.750 437 E HN 0.564 nan 8.360 nan 0.000 0.458 438 Y N -2.947 117.355 120.300 0.002 0.000 2.677 438 Y HA 0.630 5.181 4.550 0.001 0.000 0.334 438 Y C -1.244 174.670 175.900 0.024 0.000 1.196 438 Y CA -1.697 56.408 58.100 0.009 0.000 1.059 438 Y CB 0.639 39.101 38.460 0.003 0.000 1.315 438 Y HN -0.131 nan 8.280 nan 0.000 0.455 439 K N 1.224 121.819 120.400 0.325 0.000 2.578 439 K HA 0.517 4.838 4.320 0.001 0.000 0.269 439 K C -2.652 174.098 176.600 0.250 0.000 0.941 439 K CA -0.808 55.624 56.287 0.242 0.000 0.847 439 K CB 2.107 34.678 32.500 0.118 0.000 1.397 439 K HN 1.051 nan 8.250 nan 0.000 0.422 440 H N 1.953 121.083 119.070 0.099 0.000 3.096 440 H HA 0.235 4.792 4.556 0.001 0.000 0.335 440 H C -1.743 173.609 175.328 0.040 0.000 0.990 440 H CA -0.325 55.753 56.048 0.051 0.000 1.393 440 H CB 1.712 31.487 29.762 0.022 0.000 1.742 440 H HN 0.506 nan 8.280 nan 0.000 0.501 441 Q N 3.779 123.285 119.800 -0.489 0.000 2.636 441 Q HA 0.228 4.569 4.340 0.001 0.000 0.233 441 Q C -0.775 174.886 176.000 -0.565 0.000 1.143 441 Q CA -0.746 54.837 55.803 -0.367 0.000 0.969 441 Q CB 0.442 29.083 28.738 -0.162 0.000 1.185 441 Q HN 0.606 nan 8.270 nan 0.000 0.546 442 E N 2.786 122.619 120.200 -0.613 0.000 2.376 442 E HA 0.022 4.373 4.350 0.001 0.000 0.266 442 E C -0.481 176.038 176.600 -0.135 0.000 1.009 442 E CA -0.026 56.187 56.400 -0.311 0.000 0.902 442 E CB 0.454 30.123 29.700 -0.052 0.000 0.972 442 E HN 0.764 nan 8.360 nan 0.000 0.439 443 M N 4.621 124.182 119.600 -0.065 0.000 2.261 443 M HA 0.061 4.541 4.480 0.001 0.000 0.350 443 M C 1.009 177.293 176.300 -0.026 0.000 1.343 443 M CA 1.830 57.108 55.300 -0.037 0.000 1.003 443 M CB -0.177 32.417 32.600 -0.009 0.000 1.848 443 M HN 0.803 nan 8.290 nan 0.000 0.456 444 G N 2.598 111.382 108.800 -0.026 0.000 2.175 444 G HA2 -0.211 3.750 3.960 0.001 0.000 0.265 444 G HA3 -0.211 3.750 3.960 0.001 0.000 0.265 444 G C -0.177 174.711 174.900 -0.018 0.000 0.979 444 G CA 0.350 45.440 45.100 -0.018 0.000 0.663 444 G HN 0.676 nan 8.290 nan 0.000 0.533 445 Q N -0.475 119.309 119.800 -0.028 0.000 2.445 445 Q HA 0.563 4.904 4.340 0.001 0.000 0.281 445 Q C -2.582 173.401 176.000 -0.028 0.000 1.101 445 Q CA -1.870 53.919 55.803 -0.022 0.000 0.833 445 Q CB 1.136 29.861 28.738 -0.021 0.000 1.416 445 Q HN 0.154 nan 8.270 nan 0.000 0.451 446 P HA 0.035 nan 4.420 nan 0.000 0.271 446 P C -0.130 177.157 177.300 -0.022 0.000 1.216 446 P CA -0.136 62.955 63.100 -0.015 0.000 0.776 446 P CB 0.533 32.230 31.700 -0.004 0.000 0.881 447 N N 1.260 119.947 118.700 -0.022 0.000 2.399 447 N HA 0.123 4.864 4.740 0.001 0.000 0.250 447 N C -1.218 174.298 175.510 0.009 0.000 1.272 447 N CA -0.127 52.909 53.050 -0.024 0.000 0.928 447 N CB 0.505 38.981 38.487 -0.018 0.000 1.158 447 N HN 0.024 nan 8.380 nan 0.000 0.463 448 V N 1.540 121.474 119.914 0.033 0.000 2.409 448 V HA 0.379 4.500 4.120 0.001 0.000 0.290 448 V C -0.678 175.488 176.094 0.119 0.000 1.017 448 V CA -0.533 61.824 62.300 0.095 0.000 0.841 448 V CB 1.159 33.069 31.823 0.145 0.000 1.003 448 V HN 0.656 nan 8.190 nan 0.000 0.426 449 S N 2.550 118.294 115.700 0.073 0.000 2.541 449 S HA 0.857 5.328 4.470 0.001 0.000 0.271 449 S C -0.359 174.186 174.600 -0.091 0.000 1.133 449 S CA -0.709 57.501 58.200 0.016 0.000 0.876 449 S CB 2.476 65.681 63.200 0.008 0.000 1.105 449 S HN 0.933 nan 8.310 nan 0.000 0.470 450 T N -0.841 113.556 114.554 -0.263 0.000 2.903 450 T HA 0.672 5.023 4.350 0.001 0.000 0.299 450 T C -1.013 173.557 174.700 -0.216 0.000 1.093 450 T CA -1.087 60.831 62.100 -0.303 0.000 1.002 450 T CB 1.533 70.077 68.868 -0.540 0.000 1.127 450 T HN 0.668 nan 8.240 nan 0.000 0.488 451 E N 1.417 121.554 120.200 -0.106 0.000 2.277 451 E HA 0.459 4.809 4.350 0.001 0.000 0.274 451 E C -0.343 176.192 176.600 -0.107 0.000 1.022 451 E CA -1.123 55.254 56.400 -0.038 0.000 0.853 451 E CB 1.569 31.361 29.700 0.152 0.000 1.086 451 E HN 0.686 nan 8.360 nan 0.000 0.397 452 R N 1.666 122.057 120.500 -0.181 0.000 2.428 452 R HA 0.312 4.652 4.340 0.001 0.000 0.294 452 R C -0.731 175.507 176.300 -0.105 0.000 1.000 452 R CA -0.683 55.335 56.100 -0.137 0.000 0.960 452 R CB 0.892 31.089 30.300 -0.171 0.000 1.076 452 R HN 0.490 nan 8.270 nan 0.000 0.475 453 R N 2.739 123.269 120.500 0.051 0.000 2.621 453 R HA 0.334 4.674 4.340 0.001 0.000 0.292 453 R C -1.086 175.377 176.300 0.271 0.000 0.969 453 R CA -0.725 55.482 56.100 0.179 0.000 0.887 453 R CB 2.159 32.659 30.300 0.333 0.000 1.180 453 R HN 0.761 nan 8.270 nan 0.000 0.450 454 E N 1.644 121.905 120.200 0.101 0.000 2.266 454 E HA 0.375 4.726 4.350 0.001 0.000 0.268 454 E C -0.952 175.439 176.600 -0.348 0.000 0.879 454 E CA -1.102 55.250 56.400 -0.079 0.000 0.762 454 E CB 2.690 32.205 29.700 -0.308 0.000 1.199 454 E HN 0.110 nan 8.360 nan 0.000 0.422 455 L N 3.002 123.801 121.223 -0.707 0.000 2.280 455 L HA 0.359 4.700 4.340 0.001 0.000 0.287 455 L C -1.385 175.145 176.870 -0.566 0.000 1.023 455 L CA -0.586 53.671 54.840 -0.971 0.000 0.819 455 L CB 1.277 42.353 42.059 -1.638 0.000 1.212 455 L HN 0.304 nan 8.230 nan 0.000 0.420 456 V N 5.806 125.293 119.914 -0.712 0.000 2.435 456 V HA 0.479 4.599 4.120 0.001 0.000 0.290 456 V C -0.301 175.460 176.094 -0.555 0.000 1.030 456 V CA -0.695 61.168 62.300 -0.729 0.000 0.881 456 V CB 1.713 32.789 31.823 -1.245 0.000 0.983 456 V HN 0.484 nan 8.190 nan 0.000 0.445 457 V N 5.842 125.643 119.914 -0.188 0.000 2.326 457 V HA 0.493 4.614 4.120 0.001 0.000 0.281 457 V C 0.086 176.278 176.094 0.163 0.000 1.015 457 V CA -0.558 61.745 62.300 0.005 0.000 0.823 457 V CB 1.256 33.138 31.823 0.100 0.000 1.009 457 V HN 0.887 nan 8.190 nan 0.000 0.436 458 R N 3.826 124.453 120.500 0.212 0.000 2.514 458 R HA 0.584 4.925 4.340 0.001 0.000 0.301 458 R C -1.818 174.748 176.300 0.444 0.000 0.962 458 R CA -0.575 55.739 56.100 0.357 0.000 0.882 458 R CB 1.745 32.285 30.300 0.400 0.000 1.143 458 R HN 0.643 nan 8.270 nan 0.000 0.452 459 W N 6.441 127.913 121.300 0.286 0.000 2.998 459 W HA 0.551 5.211 4.660 0.001 0.000 0.335 459 W C -1.950 174.748 176.519 0.298 0.000 1.110 459 W CA -0.782 56.717 57.345 0.257 0.000 1.230 459 W CB 1.162 30.776 29.460 0.257 0.000 1.405 459 W HN 0.423 nan 8.180 nan 0.000 0.493 460 I N 5.051 125.409 120.570 -0.353 0.000 2.545 460 I HA 0.449 4.619 4.170 0.001 0.000 0.292 460 I C -0.412 175.289 176.117 -0.693 0.000 1.040 460 I CA -0.996 60.038 61.300 -0.442 0.000 1.068 460 I CB 2.121 40.015 38.000 -0.177 0.000 1.251 460 I HN 0.361 nan 8.210 nan 0.000 0.424 461 S N 3.241 118.589 115.700 -0.587 0.000 2.547 461 S HA 0.630 5.100 4.470 0.001 0.000 0.281 461 S C -0.822 173.695 174.600 -0.138 0.000 1.118 461 S CA -0.299 57.691 58.200 -0.349 0.000 0.947 461 S CB 1.730 64.687 63.200 -0.405 0.000 1.053 461 S HN 0.585 nan 8.310 nan 0.000 0.482 462 T N 3.530 118.035 114.554 -0.081 0.000 2.807 462 T HA 0.583 4.933 4.350 0.001 0.000 0.279 462 T C -1.036 173.651 174.700 -0.023 0.000 0.993 462 T CA -0.489 61.553 62.100 -0.097 0.000 0.970 462 T CB 1.352 70.158 68.868 -0.104 0.000 0.950 462 T HN 0.465 nan 8.240 nan 0.000 0.441 463 V N 3.322 123.206 119.914 -0.049 0.000 2.357 463 V HA 0.661 4.782 4.120 0.001 0.000 0.281 463 V C 1.029 177.066 176.094 -0.094 0.000 1.015 463 V CA 0.005 62.286 62.300 -0.032 0.000 0.827 463 V CB 0.369 32.184 31.823 -0.012 0.000 1.018 463 V HN 1.241 nan 8.190 nan 0.000 0.432 464 G N 5.730 114.556 108.800 0.043 0.000 2.602 464 G HA2 -0.298 3.662 3.960 0.001 0.000 0.310 464 G HA3 -0.298 3.662 3.960 0.001 0.000 0.310 464 G C 0.296 175.138 174.900 -0.096 0.000 1.183 464 G CA 0.605 45.799 45.100 0.157 0.000 0.979 464 G HN 0.938 nan 8.290 nan 0.000 0.545 468 Y N 1.219 121.354 120.300 -0.275 0.000 2.387 468 Y HA 0.688 5.239 4.550 0.001 0.000 0.336 468 Y C 0.181 175.787 175.900 -0.489 0.000 1.067 468 Y CA -0.731 57.140 58.100 -0.381 0.000 1.114 468 Y CB 1.244 39.603 38.460 -0.167 0.000 1.208 468 Y HN 0.255 nan 8.280 nan 0.000 0.458 469 I N 3.906 124.154 120.570 -0.537 0.000 2.466 469 I HA 0.380 4.551 4.170 0.001 0.000 0.289 469 I C -1.362 174.480 176.117 -0.458 0.000 1.026 469 I CA -0.621 60.456 61.300 -0.372 0.000 1.078 469 I CB 1.417 39.226 38.000 -0.318 0.000 1.249 469 I HN 0.352 nan 8.210 nan 0.000 0.429 470 F N 3.450 123.505 119.950 0.174 0.000 2.493 470 F HA 0.458 4.985 4.527 0.001 0.000 0.329 470 F C -0.329 175.660 175.800 0.315 0.000 1.126 470 F CA -0.687 57.483 58.000 0.284 0.000 0.937 470 F CB 1.562 40.891 39.000 0.549 0.000 1.146 470 F HN 0.310 nan 8.300 nan 0.000 0.442 471 D N 2.291 122.852 120.400 0.270 0.000 2.391 471 D HA 0.269 4.910 4.640 0.001 0.000 0.245 471 D C -1.423 174.780 176.300 -0.163 0.000 1.069 471 D CA -0.271 53.809 54.000 0.134 0.000 0.831 471 D CB 1.375 42.191 40.800 0.026 0.000 1.204 471 D HN 0.337 nan 8.370 nan 0.000 0.503 472 W N 2.804 124.018 121.300 -0.144 0.000 2.296 472 W HA 0.480 5.141 4.660 0.001 0.000 0.316 472 W C -0.181 176.058 176.519 -0.465 0.000 1.022 472 W CA -0.605 56.532 57.345 -0.347 0.000 1.324 472 W CB 0.538 29.806 29.460 -0.319 0.000 1.227 472 W HN 0.141 nan 8.180 nan 0.000 0.409 473 I N 4.243 124.554 120.570 -0.431 0.000 2.307 473 I HA 0.275 4.445 4.170 0.001 0.000 0.289 473 I C -0.697 175.137 176.117 -0.472 0.000 1.021 473 I CA -0.754 60.314 61.300 -0.387 0.000 1.224 473 I CB 0.344 38.187 38.000 -0.263 0.000 1.376 473 I HN 0.112 nan 8.210 nan 0.000 0.470 474 F N 5.001 124.775 119.950 -0.293 0.000 2.371 474 F HA 0.333 4.861 4.527 0.001 0.000 0.363 474 F C 0.907 176.814 175.800 0.180 0.000 1.122 474 F CA -0.312 57.510 58.000 -0.297 0.000 1.129 474 F CB 0.209 38.773 39.000 -0.727 0.000 1.173 474 F HN 0.412 nan 8.300 nan 0.000 0.489 475 H N 2.434 121.716 119.070 0.353 0.000 2.582 475 H HA 0.042 4.599 4.556 0.001 0.000 0.345 475 H C 1.058 176.860 175.328 0.790 0.000 1.104 475 H CA -0.287 56.027 56.048 0.443 0.000 1.390 475 H CB 1.444 31.367 29.762 0.269 0.000 1.461 475 H HN 0.714 nan 8.280 nan 0.000 0.551 476 E N 2.691 123.319 120.200 0.714 0.000 2.209 476 E HA -0.200 4.150 4.350 0.001 0.000 0.196 476 E C 1.158 177.990 176.600 0.388 0.000 0.993 476 E CA 1.203 57.891 56.400 0.480 0.000 0.819 476 E CB 0.021 29.816 29.700 0.158 0.000 0.745 476 E HN 0.741 nan 8.360 nan 0.000 0.477 477 N N -1.375 117.531 118.700 0.343 0.000 2.515 477 N HA -0.013 4.727 4.740 0.001 0.000 0.191 477 N C 1.145 176.714 175.510 0.098 0.000 1.182 477 N CA 0.502 53.642 53.050 0.151 0.000 0.879 477 N CB 0.606 39.152 38.487 0.099 0.000 0.984 477 N HN 0.235 nan 8.380 nan 0.000 0.453 478 G N -0.206 108.834 108.800 0.400 0.000 2.232 478 G HA2 -0.258 3.703 3.960 0.001 0.000 0.226 478 G HA3 -0.258 3.703 3.960 0.001 0.000 0.226 478 G C 0.235 175.498 174.900 0.604 0.000 0.996 478 G CA 0.194 45.491 45.100 0.329 0.000 0.626 478 G HN 0.411 nan 8.290 nan 0.000 0.509 479 T N 1.288 116.055 114.554 0.356 0.000 2.898 479 T HA 0.578 4.929 4.350 0.001 0.000 0.301 479 T C 0.348 175.099 174.700 0.085 0.000 1.049 479 T CA 0.533 62.675 62.100 0.070 0.000 1.095 479 T CB 1.262 69.877 68.868 -0.421 0.000 0.976 479 T HN 0.352 nan 8.240 nan 0.000 0.539 480 I N 1.445 121.980 120.570 -0.058 0.000 2.466 480 I HA 0.538 4.708 4.170 0.001 0.000 0.289 480 I C 0.544 176.492 176.117 -0.281 0.000 1.026 480 I CA -0.755 60.408 61.300 -0.227 0.000 1.078 480 I CB 2.051 39.867 38.000 -0.307 0.000 1.249 480 I HN 0.702 nan 8.210 nan 0.000 0.429 481 G N 6.349 114.979 108.800 -0.283 0.000 2.454 481 G HA2 0.865 4.826 3.960 0.001 0.000 0.329 481 G HA3 0.865 4.826 3.960 0.001 0.000 0.329 481 G C -1.012 173.609 174.900 -0.465 0.000 1.177 481 G CA -0.512 44.428 45.100 -0.266 0.000 0.951 481 G HN 0.489 nan 8.290 nan 0.000 0.485 482 I N 1.336 121.587 120.570 -0.531 0.000 2.529 482 I HA 0.276 4.447 4.170 0.001 0.000 0.284 482 I C -1.534 174.258 176.117 -0.542 0.000 1.088 482 I CA -0.743 60.047 61.300 -0.851 0.000 1.062 482 I CB 2.304 39.439 38.000 -1.441 0.000 1.218 482 I HN 0.220 nan 8.210 nan 0.000 0.442 483 D N 4.868 125.064 120.400 -0.340 0.000 2.340 483 D HA 0.785 5.426 4.640 0.001 0.000 0.240 483 D C -0.659 175.657 176.300 0.028 0.000 1.001 483 D CA -0.351 53.610 54.000 -0.065 0.000 0.888 483 D CB 2.498 43.333 40.800 0.058 0.000 1.310 483 D HN 0.564 nan 8.370 nan 0.000 0.474 484 A N 0.562 123.353 122.820 -0.049 0.000 2.343 484 A HA 0.769 5.090 4.320 0.001 0.000 0.308 484 A C -0.082 177.128 177.584 -0.623 0.000 1.092 484 A CA -0.649 51.074 52.037 -0.525 0.000 0.751 484 A CB 1.525 19.914 19.000 -1.020 0.000 1.203 484 A HN 0.487 nan 8.150 nan 0.000 0.452 485 G N 0.328 108.481 108.800 -1.078 0.000 2.482 485 G HA2 0.758 4.718 3.960 0.001 0.000 0.317 485 G HA3 0.758 4.718 3.960 0.001 0.000 0.317 485 G C -0.542 173.831 174.900 -0.878 0.000 1.241 485 G CA 0.040 44.236 45.100 -1.506 0.000 0.967 485 G HN 1.557 nan 8.290 nan 0.000 0.482 486 A N 0.942 123.345 122.820 -0.695 0.000 2.355 486 A HA 0.922 5.243 4.320 0.001 0.000 0.317 486 A C -0.092 177.181 177.584 -0.519 0.000 1.094 486 A CA -0.368 51.361 52.037 -0.514 0.000 0.764 486 A CB 2.182 20.921 19.000 -0.435 0.000 1.230 486 A HN 1.153 nan 8.150 nan 0.000 0.448 487 T N 0.133 114.382 114.554 -0.508 0.000 2.626 487 T HA 0.827 5.177 4.350 0.001 0.000 0.299 487 T C 0.235 174.688 174.700 -0.412 0.000 1.181 487 T CA 0.979 62.841 62.100 -0.396 0.000 1.053 487 T CB 0.870 69.522 68.868 -0.360 0.000 1.566 487 T HN 2.747 nan 8.240 nan 0.000 0.486 488 G N 0.453 109.021 108.800 -0.387 0.000 2.384 488 G HA2 0.107 4.067 3.960 0.001 0.000 0.204 488 G HA3 0.107 4.067 3.960 0.001 0.000 0.204 488 G C -1.668 172.958 174.900 -0.456 0.000 1.237 488 G CA -0.264 44.559 45.100 -0.462 0.000 1.060 488 G HN 0.853 nan 8.290 nan 0.000 0.514 489 I N 1.285 121.528 120.570 -0.546 0.000 2.404 489 I HA 0.418 4.589 4.170 0.001 0.000 0.293 489 I C 0.652 176.585 176.117 -0.306 0.000 0.992 489 I CA -0.918 60.094 61.300 -0.479 0.000 1.149 489 I CB 1.183 38.763 38.000 -0.699 0.000 1.315 489 I HN 0.599 nan 8.210 nan 0.000 0.446 490 E N 3.275 123.492 120.200 0.029 0.000 2.398 490 E HA 0.320 4.671 4.350 0.001 0.000 0.263 490 E C -0.134 176.532 176.600 0.109 0.000 1.046 490 E CA -0.273 56.189 56.400 0.102 0.000 0.908 490 E CB 1.359 31.200 29.700 0.235 0.000 0.963 490 E HN 0.692 nan 8.360 nan 0.000 0.431 491 A N 2.929 125.796 122.820 0.079 0.000 2.354 491 A HA 0.344 4.665 4.320 0.001 0.000 0.281 491 A C 0.029 177.837 177.584 0.373 0.000 1.174 491 A CA -0.525 51.640 52.037 0.213 0.000 0.828 491 A CB -0.011 19.061 19.000 0.120 0.000 1.099 491 A HN 0.362 nan 8.150 nan 0.000 0.516 492 V N 0.440 120.608 119.914 0.424 0.000 2.960 492 V HA 0.702 4.823 4.120 0.001 0.000 0.315 492 V C -0.291 176.079 176.094 0.460 0.000 1.087 492 V CA -1.139 61.334 62.300 0.288 0.000 0.982 492 V CB 1.732 33.517 31.823 -0.064 0.000 1.039 492 V HN 0.839 nan 8.190 nan 0.000 0.437 493 K N 1.677 122.214 120.400 0.229 0.000 2.185 493 K HA 0.651 4.972 4.320 0.001 0.000 0.269 493 K C 0.213 176.881 176.600 0.113 0.000 0.987 493 K CA -0.191 56.245 56.287 0.247 0.000 0.865 493 K CB 1.327 33.762 32.500 -0.107 0.000 1.090 493 K HN 1.211 nan 8.250 nan 0.000 0.450 494 G N 2.518 111.407 108.800 0.148 0.000 2.380 494 G HA2 0.427 4.388 3.960 0.001 0.000 0.262 494 G HA3 0.427 4.388 3.960 0.001 0.000 0.262 494 G C -0.514 174.422 174.900 0.060 0.000 1.243 494 G CA -0.424 44.731 45.100 0.092 0.000 0.865 494 G HN 0.487 nan 8.290 nan 0.000 0.513 495 V N 0.190 120.124 119.914 0.034 0.000 3.130 495 V HA 0.597 4.717 4.120 0.001 0.000 0.310 495 V C 0.776 176.886 176.094 0.027 0.000 1.158 495 V CA -1.138 61.175 62.300 0.020 0.000 1.029 495 V CB 2.077 33.895 31.823 -0.009 0.000 1.057 495 V HN 0.643 nan 8.190 nan 0.000 0.436 496 K N 1.039 121.451 120.400 0.021 0.000 2.167 496 K HA 0.391 4.712 4.320 0.001 0.000 0.203 496 K C 1.064 177.679 176.600 0.024 0.000 1.052 496 K CA 1.089 57.391 56.287 0.024 0.000 0.956 496 K CB 0.039 32.550 32.500 0.018 0.000 0.735 496 K HN 0.962 nan 8.250 nan 0.000 0.451 497 A N 1.613 124.444 122.820 0.017 0.000 2.462 497 A HA 0.030 4.350 4.320 0.001 0.000 0.243 497 A C 0.591 178.207 177.584 0.054 0.000 1.076 497 A CA 0.179 52.231 52.037 0.025 0.000 0.773 497 A CB 0.420 19.425 19.000 0.008 0.000 1.010 497 A HN 0.143 nan 8.150 nan 0.000 0.493 498 K N -0.026 120.419 120.400 0.074 0.000 2.276 498 K HA 0.077 4.398 4.320 0.001 0.000 0.198 498 K C 0.591 177.352 176.600 0.268 0.000 1.052 498 K CA 1.360 57.737 56.287 0.150 0.000 0.984 498 K CB 0.282 32.764 32.500 -0.031 0.000 0.836 498 K HN 0.923 nan 8.250 nan 0.000 0.490 499 T N -3.049 111.588 114.554 0.138 0.000 2.841 499 T HA 0.266 4.617 4.350 0.001 0.000 0.296 499 T C 0.616 175.311 174.700 -0.009 0.000 1.166 499 T CA -0.802 61.363 62.100 0.108 0.000 1.007 499 T CB 1.289 70.273 68.868 0.193 0.000 1.253 499 T HN -0.284 nan 8.240 nan 0.000 0.511 500 M N 0.520 120.036 119.600 -0.141 0.000 2.632 500 M HA 0.062 4.543 4.480 0.001 0.000 0.256 500 M C 1.183 177.312 176.300 -0.285 0.000 1.080 500 M CA 1.176 56.338 55.300 -0.230 0.000 1.084 500 M CB -1.716 30.709 32.600 -0.292 0.000 1.439 500 M HN 0.757 nan 8.290 nan 0.000 0.509 501 H N -0.943 118.133 119.070 0.010 0.000 2.544 501 H HA 0.086 4.643 4.556 0.001 0.000 0.269 501 H C 0.150 175.479 175.328 0.001 0.000 0.970 501 H CA -0.172 55.879 56.048 0.005 0.000 1.219 501 H CB 0.283 30.050 29.762 0.009 0.000 1.421 501 H HN 0.214 nan 8.280 nan 0.000 0.555 502 D N 0.898 121.348 120.400 0.084 0.000 2.362 502 D HA -0.036 4.604 4.640 0.001 0.000 0.242 502 D C 1.049 177.363 176.300 0.023 0.000 1.132 502 D CA 0.112 54.142 54.000 0.049 0.000 0.907 502 D CB 0.873 41.695 40.800 0.036 0.000 1.195 502 D HN 0.381 nan 8.370 nan 0.000 0.429 503 E N -0.161 120.050 120.200 0.018 0.000 2.160 503 E HA -0.167 4.184 4.350 0.001 0.000 0.195 503 E C 1.500 178.098 176.600 -0.004 0.000 0.991 503 E CA 1.377 57.781 56.400 0.007 0.000 0.810 503 E CB -0.022 29.682 29.700 0.007 0.000 0.742 503 E HN 0.547 nan 8.360 nan 0.000 0.466 504 T N -2.169 112.382 114.554 -0.004 0.000 3.107 504 T HA 0.369 4.719 4.350 0.001 0.000 0.249 504 T C 1.780 176.464 174.700 -0.027 0.000 1.096 504 T CA 0.332 62.424 62.100 -0.013 0.000 1.012 504 T CB 0.369 69.234 68.868 -0.005 0.000 0.977 504 T HN 0.137 nan 8.240 nan 0.000 0.527 505 A N 2.841 125.643 122.820 -0.029 0.000 1.884 505 A HA -0.185 4.136 4.320 0.001 0.000 0.219 505 A C 2.396 179.937 177.584 -0.071 0.000 1.197 505 A CA 1.907 53.915 52.037 -0.049 0.000 0.637 505 A CB -0.758 18.208 19.000 -0.056 0.000 0.827 505 A HN 0.426 nan 8.150 nan 0.000 0.450 506 K N -0.144 120.214 120.400 -0.070 0.000 2.026 506 K HA -0.187 4.134 4.320 0.001 0.000 0.208 506 K C 1.387 177.920 176.600 -0.110 0.000 1.048 506 K CA 2.061 58.295 56.287 -0.088 0.000 0.929 506 K CB -0.564 31.893 32.500 -0.072 0.000 0.713 506 K HN 0.525 nan 8.250 nan 0.000 0.439 507 D N 0.917 121.264 120.400 -0.087 0.000 2.183 507 D HA -0.111 4.530 4.640 0.001 0.000 0.203 507 D C 1.423 177.662 176.300 -0.103 0.000 0.969 507 D CA 0.785 54.726 54.000 -0.098 0.000 0.842 507 D CB -0.070 40.700 40.800 -0.049 0.000 0.957 507 D HN 0.262 nan 8.370 nan 0.000 0.484 508 D N 0.246 120.600 120.400 -0.076 0.000 2.219 508 D HA -0.091 4.550 4.640 0.001 0.000 0.205 508 D C 1.815 178.052 176.300 -0.105 0.000 0.970 508 D CA 1.105 55.065 54.000 -0.067 0.000 0.851 508 D CB -0.190 40.580 40.800 -0.050 0.000 0.943 508 D HN 0.296 nan 8.370 nan 0.000 0.488 509 T N -2.269 112.204 114.554 -0.134 0.000 3.145 509 T HA 0.172 4.523 4.350 0.001 0.000 0.255 509 T C 1.498 176.060 174.700 -0.230 0.000 1.039 509 T CA -0.432 61.574 62.100 -0.156 0.000 0.928 509 T CB 0.511 69.300 68.868 -0.131 0.000 1.029 509 T HN -0.013 nan 8.240 nan 0.000 0.554 510 R N 0.419 120.704 120.500 -0.359 0.000 2.120 510 R HA -0.067 4.274 4.340 0.001 0.000 0.234 510 R C 0.501 176.367 176.300 -0.724 0.000 1.123 510 R CA 1.373 57.104 56.100 -0.615 0.000 0.975 510 R CB -0.126 29.627 30.300 -0.911 0.000 0.866 510 R HN 0.574 nan 8.270 nan 0.000 0.446 511 Y N -1.605 118.616 120.300 -0.131 0.000 2.612 511 Y HA 0.488 5.039 4.550 0.001 0.000 0.250 511 Y C 0.550 176.348 175.900 -0.171 0.000 1.175 511 Y CA -0.019 57.992 58.100 -0.148 0.000 1.205 511 Y CB 1.494 39.850 38.460 -0.173 0.000 1.201 511 Y HN 0.125 nan 8.280 nan 0.000 0.532 512 G N -0.865 107.882 108.800 -0.089 0.000 2.466 512 G HA2 0.393 4.354 3.960 0.001 0.000 0.291 512 G HA3 0.393 4.354 3.960 0.001 0.000 0.291 512 G C -1.270 173.559 174.900 -0.118 0.000 1.460 512 G CA -0.864 44.172 45.100 -0.106 0.000 0.791 512 G HN -0.193 nan 8.290 nan 0.000 0.505 513 T N 0.433 114.921 114.554 -0.111 0.000 2.909 513 T HA 0.432 4.783 4.350 0.001 0.000 0.289 513 T C 0.042 174.670 174.700 -0.119 0.000 1.005 513 T CA -0.233 61.806 62.100 -0.102 0.000 1.084 513 T CB 1.545 70.367 68.868 -0.076 0.000 0.975 513 T HN 0.598 nan 8.240 nan 0.000 0.509 514 L N 4.822 125.979 121.223 -0.110 0.000 2.363 514 L HA 0.350 4.690 4.340 0.001 0.000 0.286 514 L C 0.890 177.682 176.870 -0.130 0.000 1.106 514 L CA 0.048 54.816 54.840 -0.121 0.000 0.859 514 L CB -0.505 41.498 42.059 -0.093 0.000 1.223 514 L HN 0.724 nan 8.230 nan 0.000 0.446 515 I N -0.054 120.401 120.570 -0.191 0.000 3.860 515 I HA 0.414 4.585 4.170 0.001 0.000 0.319 515 I C -0.026 175.963 176.117 -0.213 0.000 1.279 515 I CA 0.120 61.313 61.300 -0.179 0.000 1.220 515 I CB 0.079 37.970 38.000 -0.180 0.000 1.027 515 I HN 0.477 nan 8.210 nan 0.000 0.428 516 D N -0.296 119.941 120.400 -0.272 0.000 2.692 516 D HA 0.277 4.918 4.640 0.001 0.000 0.290 516 D C -1.090 175.102 176.300 -0.180 0.000 1.281 516 D CA -0.573 53.289 54.000 -0.231 0.000 0.804 516 D CB 1.197 41.886 40.800 -0.185 0.000 1.331 516 D HN 0.157 nan 8.370 nan 0.000 0.432 517 H N 0.949 120.033 119.070 0.024 0.000 3.004 517 H HA 0.202 4.759 4.556 0.001 0.000 0.316 517 H C 0.409 175.742 175.328 0.008 0.000 1.014 517 H CA 0.829 56.891 56.048 0.023 0.000 1.454 517 H CB -0.009 29.787 29.762 0.056 0.000 1.472 517 H HN 0.372 nan 8.280 nan 0.000 0.571 518 N N 0.841 119.609 118.700 0.115 0.000 2.778 518 N HA -0.215 4.526 4.740 0.001 0.000 0.249 518 N C -1.101 174.410 175.510 0.001 0.000 1.069 518 N CA 0.753 53.838 53.050 0.059 0.000 0.831 518 N CB -0.892 37.650 38.487 0.092 0.000 1.142 518 N HN 0.436 nan 8.380 nan 0.000 0.573 519 I N 0.606 121.129 120.570 -0.078 0.000 2.436 519 I HA 0.412 4.583 4.170 0.001 0.000 0.289 519 I C -0.507 175.458 176.117 -0.253 0.000 1.010 519 I CA -0.853 60.326 61.300 -0.203 0.000 1.098 519 I CB 1.876 39.654 38.000 -0.370 0.000 1.266 519 I HN -0.236 nan 8.210 nan 0.000 0.434 520 V N 5.001 124.789 119.914 -0.210 0.000 2.495 520 V HA 0.546 4.666 4.120 0.001 0.000 0.298 520 V C 0.458 176.428 176.094 -0.208 0.000 1.031 520 V CA -0.618 61.562 62.300 -0.200 0.000 0.871 520 V CB 1.877 33.604 31.823 -0.160 0.000 0.988 520 V HN 0.844 nan 8.190 nan 0.000 0.432 521 G N 2.545 111.229 108.800 -0.193 0.000 2.546 521 G HA2 0.365 4.326 3.960 0.001 0.000 0.320 521 G HA3 0.365 4.326 3.960 0.001 0.000 0.320 521 G C 0.220 175.062 174.900 -0.097 0.000 0.984 521 G CA -0.161 44.862 45.100 -0.128 0.000 1.183 521 G HN 0.641 nan 8.290 nan 0.000 0.443 522 T N 2.536 117.031 114.554 -0.099 0.000 2.871 522 T HA 0.101 4.452 4.350 0.001 0.000 0.296 522 T C 1.131 175.910 174.700 0.132 0.000 0.998 522 T CA 0.392 62.424 62.100 -0.113 0.000 1.162 522 T CB 0.490 69.072 68.868 -0.477 0.000 0.947 522 T HN 0.423 nan 8.240 nan 0.000 0.536 523 T N 5.571 120.135 114.554 0.018 0.000 2.946 523 T HA 0.202 4.553 4.350 0.001 0.000 0.311 523 T C 0.294 174.967 174.700 -0.046 0.000 1.063 523 T CA -0.023 62.036 62.100 -0.068 0.000 1.139 523 T CB -0.057 68.751 68.868 -0.101 0.000 0.994 523 T HN 0.842 nan 8.240 nan 0.000 0.547 524 H N 0.244 119.104 119.070 -0.350 0.000 2.902 524 H HA 0.492 5.049 4.556 0.001 0.000 0.297 524 H C -1.352 173.742 175.328 -0.390 0.000 1.406 524 H CA -1.107 54.615 56.048 -0.545 0.000 1.134 524 H CB 1.030 30.021 29.762 -1.285 0.000 1.833 524 H HN 0.535 nan 8.280 nan 0.000 0.527 525 Q N -0.002 119.573 119.800 -0.375 0.000 2.458 525 Q HA 0.401 4.742 4.340 0.001 0.000 0.282 525 Q C -1.038 174.754 176.000 -0.347 0.000 1.106 525 Q CA -0.988 54.643 55.803 -0.287 0.000 0.814 525 Q CB 2.898 31.535 28.738 -0.167 0.000 1.425 525 Q HN 0.511 nan 8.270 nan 0.000 0.437 526 H N 1.043 120.066 119.070 -0.079 0.000 2.727 526 H HA 0.457 5.014 4.556 0.001 0.000 0.330 526 H C -0.970 174.131 175.328 -0.379 0.000 0.986 526 H CA -0.304 55.618 56.048 -0.211 0.000 1.251 526 H CB 0.974 30.630 29.762 -0.176 0.000 1.493 526 H HN 0.450 nan 8.280 nan 0.000 0.515 527 I N 4.692 125.083 120.570 -0.298 0.000 2.382 527 I HA 0.186 4.357 4.170 0.001 0.000 0.286 527 I C -0.799 175.201 176.117 -0.194 0.000 1.002 527 I CA -0.659 60.538 61.300 -0.172 0.000 1.135 527 I CB 0.846 38.821 38.000 -0.042 0.000 1.288 527 I HN 0.368 nan 8.210 nan 0.000 0.448 528 Y N 4.389 124.778 120.300 0.148 0.000 2.387 528 Y HA 0.459 5.010 4.550 0.001 0.000 0.330 528 Y C 0.119 176.011 175.900 -0.014 0.000 1.133 528 Y CA -0.838 57.275 58.100 0.021 0.000 1.152 528 Y CB 1.305 39.751 38.460 -0.025 0.000 1.215 528 Y HN 0.497 nan 8.280 nan 0.000 0.466 529 N N 1.447 120.125 118.700 -0.036 0.000 2.352 529 N HA 0.532 5.273 4.740 0.001 0.000 0.291 529 N C -2.138 173.231 175.510 -0.235 0.000 1.040 529 N CA -0.467 52.600 53.050 0.027 0.000 0.864 529 N CB 0.913 39.495 38.487 0.157 0.000 1.440 529 N HN 0.378 nan 8.380 nan 0.000 0.483 530 F N 1.475 121.570 119.950 0.242 0.000 2.458 530 F HA 0.466 4.994 4.527 0.001 0.000 0.336 530 F C 0.639 176.489 175.800 0.084 0.000 1.114 530 F CA -0.856 57.240 58.000 0.160 0.000 0.987 530 F CB 1.565 40.619 39.000 0.090 0.000 1.130 530 F HN 0.275 nan 8.300 nan 0.000 0.458 531 R N 4.821 125.377 120.500 0.093 0.000 2.229 531 R HA 0.631 4.972 4.340 0.001 0.000 0.332 531 R C -1.833 174.327 176.300 -0.233 0.000 0.989 531 R CA -0.381 55.482 56.100 -0.394 0.000 0.842 531 R CB 0.429 30.300 30.300 -0.715 0.000 1.119 531 R HN 0.826 nan 8.270 nan 0.000 0.456 532 L N 4.486 125.552 121.223 -0.262 0.000 2.388 532 L HA 0.259 4.600 4.340 0.001 0.000 0.267 532 L C -0.532 176.258 176.870 -0.134 0.000 0.995 532 L CA -0.831 53.942 54.840 -0.112 0.000 0.864 532 L CB 1.757 43.807 42.059 -0.015 0.000 1.216 532 L HN 0.559 nan 8.230 nan 0.000 0.430 533 D N 4.461 124.805 120.400 -0.093 0.000 2.619 533 D HA 0.229 4.870 4.640 0.001 0.000 0.224 533 D C -0.016 176.316 176.300 0.055 0.000 1.133 533 D CA -0.059 53.937 54.000 -0.007 0.000 1.017 533 D CB 0.167 41.013 40.800 0.077 0.000 1.077 533 D HN 0.318 nan 8.370 nan 0.000 0.503 534 L N 1.666 122.904 121.223 0.024 0.000 2.426 534 L HA 0.218 4.558 4.340 0.001 0.000 0.271 534 L C 0.227 177.142 176.870 0.075 0.000 1.169 534 L CA 0.094 54.950 54.840 0.027 0.000 0.836 534 L CB 0.659 42.702 42.059 -0.026 0.000 1.112 534 L HN 0.125 nan 8.230 nan 0.000 0.465 535 D N 1.897 122.365 120.400 0.113 0.000 2.378 535 D HA 0.169 4.810 4.640 0.001 0.000 0.265 535 D C -0.524 175.824 176.300 0.080 0.000 1.229 535 D CA -0.252 53.811 54.000 0.106 0.000 0.914 535 D CB 1.597 42.506 40.800 0.182 0.000 1.140 535 D HN 0.026 nan 8.370 nan 0.000 0.516 536 V N 2.626 122.595 119.914 0.092 0.000 2.415 536 V HA -0.028 4.093 4.120 0.001 0.000 0.252 536 V C 0.955 177.175 176.094 0.209 0.000 1.043 536 V CA 0.158 62.574 62.300 0.194 0.000 1.149 536 V CB -0.266 31.702 31.823 0.241 0.000 1.143 536 V HN 0.561 nan 8.190 nan 0.000 0.478 537 D N 3.278 123.825 120.400 0.244 0.000 2.837 537 D HA -0.128 4.513 4.640 0.001 0.000 0.230 537 D C 0.377 176.648 176.300 -0.049 0.000 1.152 537 D CA 1.785 55.830 54.000 0.074 0.000 0.736 537 D CB -1.004 39.751 40.800 -0.075 0.000 1.084 537 D HN 1.259 nan 8.370 nan 0.000 0.429 538 G N -1.571 107.182 108.800 -0.077 0.000 2.347 538 G HA2 0.149 4.109 3.960 0.001 0.000 0.321 538 G HA3 0.149 4.109 3.960 0.001 0.000 0.321 538 G C 0.150 175.003 174.900 -0.078 0.000 1.412 538 G CA 0.121 45.147 45.100 -0.123 0.000 0.990 538 G HN 0.033 nan 8.290 nan 0.000 0.637 539 E N -0.196 119.951 120.200 -0.089 0.000 2.072 539 E HA 0.006 4.357 4.350 0.001 0.000 0.190 539 E C 0.986 177.573 176.600 -0.021 0.000 0.982 539 E CA 0.616 56.985 56.400 -0.052 0.000 0.803 539 E CB 0.052 29.709 29.700 -0.071 0.000 0.755 539 E HN 0.382 nan 8.360 nan 0.000 0.453 540 N N 2.234 120.923 118.700 -0.018 0.000 2.399 540 N HA 0.075 4.815 4.740 0.001 0.000 0.259 540 N C -0.781 174.737 175.510 0.013 0.000 1.160 540 N CA 0.211 53.262 53.050 0.001 0.000 0.946 540 N CB 0.438 38.923 38.487 -0.002 0.000 1.156 540 N HN 0.099 nan 8.380 nan 0.000 0.489 541 N N 0.037 118.754 118.700 0.027 0.000 2.629 541 N HA 0.456 5.197 4.740 0.001 0.000 0.279 541 N C -0.793 174.742 175.510 0.041 0.000 1.344 541 N CA -0.447 52.626 53.050 0.039 0.000 0.789 541 N CB 1.495 40.013 38.487 0.052 0.000 1.508 541 N HN 0.160 nan 8.380 nan 0.000 0.516 542 S N 0.201 115.925 115.700 0.041 0.000 2.569 542 S HA 0.485 4.956 4.470 0.001 0.000 0.280 542 S C -1.230 173.388 174.600 0.031 0.000 1.111 542 S CA -0.555 57.667 58.200 0.037 0.000 0.887 542 S CB 1.903 65.121 63.200 0.029 0.000 1.095 542 S HN 0.415 nan 8.310 nan 0.000 0.476 543 L N 3.422 124.663 121.223 0.030 0.000 2.265 543 L HA 0.676 5.017 4.340 0.001 0.000 0.288 543 L C -1.155 175.697 176.870 -0.030 0.000 1.058 543 L CA -0.013 54.835 54.840 0.013 0.000 0.809 543 L CB 0.679 42.761 42.059 0.038 0.000 1.179 543 L HN 0.443 nan 8.230 nan 0.000 0.429 544 V N 4.677 124.545 119.914 -0.076 0.000 2.680 544 V HA 0.851 4.972 4.120 0.001 0.000 0.309 544 V C 0.022 175.972 176.094 -0.241 0.000 1.052 544 V CA -0.559 61.653 62.300 -0.146 0.000 0.908 544 V CB 1.501 33.248 31.823 -0.126 0.000 1.001 544 V HN 0.953 nan 8.190 nan 0.000 0.431 545 A N 5.478 128.048 122.820 -0.416 0.000 2.324 545 A HA 0.959 5.280 4.320 0.001 0.000 0.330 545 A C -0.577 176.721 177.584 -0.475 0.000 1.165 545 A CA -0.599 51.119 52.037 -0.532 0.000 0.813 545 A CB 1.046 19.477 19.000 -0.948 0.000 1.197 545 A HN 0.837 nan 8.150 nan 0.000 0.484 546 M N 2.783 122.202 119.600 -0.301 0.000 2.060 546 M HA 0.262 4.743 4.480 0.001 0.000 0.275 546 M C -1.738 174.504 176.300 -0.096 0.000 0.919 546 M CA -0.441 54.750 55.300 -0.182 0.000 0.970 546 M CB 1.875 34.372 32.600 -0.172 0.000 1.670 546 M HN 0.539 nan 8.290 nan 0.000 0.440 547 D N 4.725 125.118 120.400 -0.012 0.000 2.349 547 D HA 0.387 5.028 4.640 0.001 0.000 0.232 547 D C -2.498 173.823 176.300 0.034 0.000 1.071 547 D CA -1.427 52.587 54.000 0.023 0.000 0.832 547 D CB 1.381 42.235 40.800 0.090 0.000 1.086 547 D HN 0.137 nan 8.370 nan 0.000 0.504 548 P HA 0.016 nan 4.420 nan 0.000 0.267 548 P C -0.451 176.866 177.300 0.029 0.000 1.205 548 P CA -0.176 62.943 63.100 0.032 0.000 0.765 548 P CB 0.762 32.480 31.700 0.030 0.000 0.828 549 V N 1.299 121.232 119.914 0.032 0.000 3.078 549 V HA 0.558 4.678 4.120 0.001 0.000 0.311 549 V C -0.627 175.480 176.094 0.022 0.000 1.138 549 V CA -1.083 61.232 62.300 0.026 0.000 1.007 549 V CB 2.265 34.105 31.823 0.029 0.000 1.045 549 V HN 0.078 nan 8.190 nan 0.000 0.432 550 V N 3.238 123.162 119.914 0.016 0.000 2.364 550 V HA 0.494 4.615 4.120 0.001 0.000 0.272 550 V C 0.267 176.368 176.094 0.013 0.000 1.036 550 V CA -0.342 61.966 62.300 0.014 0.000 0.880 550 V CB 0.780 32.610 31.823 0.011 0.000 0.991 550 V HN 0.907 nan 8.190 nan 0.000 0.460 551 K N 5.306 125.714 120.400 0.013 0.000 2.259 551 K HA 0.521 4.842 4.320 0.001 0.000 0.249 551 K C -2.753 173.852 176.600 0.009 0.000 0.942 551 K CA -2.042 54.252 56.287 0.012 0.000 0.816 551 K CB 2.357 34.865 32.500 0.014 0.000 1.155 551 K HN 0.276 nan 8.250 nan 0.000 0.428 552 P HA -0.085 nan 4.420 nan 0.000 0.265 552 P C -0.601 176.704 177.300 0.007 0.000 1.187 552 P CA 0.179 63.283 63.100 0.006 0.000 0.766 552 P CB 0.320 32.023 31.700 0.005 0.000 0.820 553 N N 1.661 120.364 118.700 0.006 0.000 2.470 553 N HA 0.115 4.855 4.740 0.001 0.000 0.268 553 N C 0.084 175.597 175.510 0.006 0.000 1.136 553 N CA -0.126 52.928 53.050 0.006 0.000 0.961 553 N CB 0.379 38.870 38.487 0.006 0.000 1.067 553 N HN 0.367 nan 8.380 nan 0.000 0.468 554 T N 0.128 114.686 114.554 0.006 0.000 3.288 554 T HA 0.357 4.707 4.350 0.001 0.000 0.293 554 T C 0.600 175.303 174.700 0.005 0.000 1.008 554 T CA -0.442 61.661 62.100 0.005 0.000 0.929 554 T CB 0.517 69.388 68.868 0.005 0.000 1.152 554 T HN 0.429 nan 8.240 nan 0.000 0.517 555 A N 0.635 123.458 122.820 0.005 0.000 2.431 555 A HA 0.803 5.124 4.320 0.001 0.000 0.239 555 A C 1.339 178.926 177.584 0.004 0.000 1.230 555 A CA 0.120 52.160 52.037 0.004 0.000 0.928 555 A CB -0.359 18.644 19.000 0.005 0.000 1.006 555 A HN 1.477 nan 8.150 nan 0.000 0.520 556 G N -1.782 107.020 108.800 0.003 0.000 2.710 556 G HA2 0.487 4.448 3.960 0.001 0.000 0.668 556 G HA3 0.487 4.448 3.960 0.001 0.000 0.668 556 G C 0.749 175.650 174.900 0.003 0.000 1.320 556 G CA -0.089 45.013 45.100 0.003 0.000 0.860 556 G HN 2.490 nan 8.290 nan 0.000 0.538 557 G N -1.380 107.421 108.800 0.002 0.000 2.757 557 G HA2 0.282 4.243 3.960 0.001 0.000 0.638 557 G HA3 0.282 4.243 3.960 0.001 0.000 0.638 557 G C -0.806 174.096 174.900 0.003 0.000 1.344 557 G CA 0.511 45.612 45.100 0.002 0.000 0.855 557 G HN 1.421 nan 8.290 nan 0.000 0.537 558 P HA 0.071 nan 4.420 nan 0.000 0.221 558 P C 0.992 178.294 177.300 0.003 0.000 1.150 558 P CA 0.552 63.653 63.100 0.003 0.000 0.800 558 P CB 0.106 31.807 31.700 0.003 0.000 0.787 559 R N 0.113 120.615 120.500 0.004 0.000 2.590 559 R HA 0.089 4.429 4.340 0.001 0.000 0.274 559 R C 1.432 177.735 176.300 0.004 0.000 1.061 559 R CA 0.887 56.990 56.100 0.004 0.000 1.081 559 R CB -0.079 30.224 30.300 0.005 0.000 0.984 559 R HN 0.210 nan 8.270 nan 0.000 0.448 560 T N -2.642 111.915 114.554 0.004 0.000 3.040 560 T HA 0.026 4.377 4.350 0.001 0.000 0.252 560 T C 0.878 175.581 174.700 0.005 0.000 1.064 560 T CA 0.292 62.395 62.100 0.004 0.000 1.110 560 T CB 0.214 69.084 68.868 0.004 0.000 0.921 560 T HN 0.549 nan 8.240 nan 0.000 0.480 561 S N 0.834 116.537 115.700 0.006 0.000 2.667 561 S HA 0.764 5.235 4.470 0.001 0.000 0.292 561 S C -0.512 174.093 174.600 0.009 0.000 1.126 561 S CA -0.427 57.778 58.200 0.007 0.000 0.881 561 S CB 1.974 65.178 63.200 0.008 0.000 1.132 561 S HN 0.716 nan 8.310 nan 0.000 0.492 562 T N -1.965 112.595 114.554 0.010 0.000 2.841 562 T HA 0.690 5.041 4.350 0.001 0.000 0.296 562 T C -0.926 173.783 174.700 0.015 0.000 1.166 562 T CA -0.979 61.128 62.100 0.012 0.000 1.007 562 T CB 1.182 70.058 68.868 0.013 0.000 1.253 562 T HN 0.657 nan 8.240 nan 0.000 0.511 563 M N 1.955 121.566 119.600 0.018 0.000 2.101 563 M HA 0.459 4.940 4.480 0.001 0.000 0.340 563 M C -0.272 176.044 176.300 0.027 0.000 1.057 563 M CA -0.497 54.816 55.300 0.023 0.000 0.984 563 M CB 1.663 34.278 32.600 0.024 0.000 1.560 563 M HN 0.633 nan 8.290 nan 0.000 0.435 564 Q N 1.368 121.186 119.800 0.030 0.000 2.892 564 Q HA 0.837 5.178 4.340 0.001 0.000 0.307 564 Q C -1.327 174.699 176.000 0.043 0.000 1.039 564 Q CA -1.145 54.679 55.803 0.036 0.000 0.792 564 Q CB 3.221 31.978 28.738 0.031 0.000 1.504 564 Q HN 0.482 nan 8.270 nan 0.000 0.487 565 V N 1.271 121.215 119.914 0.050 0.000 2.789 565 V HA 0.356 4.477 4.120 0.001 0.000 0.311 565 V C -1.110 175.024 176.094 0.066 0.000 1.073 565 V CA -0.926 61.408 62.300 0.056 0.000 0.921 565 V CB 2.171 34.030 31.823 0.060 0.000 1.009 565 V HN 0.629 nan 8.190 nan 0.000 0.426 566 N N 3.664 122.417 118.700 0.088 0.000 2.457 566 N HA 0.318 5.059 4.740 0.001 0.000 0.250 566 N C -0.705 174.910 175.510 0.175 0.000 0.982 566 N CA -0.149 52.987 53.050 0.144 0.000 0.941 566 N CB 1.951 40.543 38.487 0.174 0.000 1.120 566 N HN 0.749 nan 8.380 nan 0.000 0.505 567 Q N 3.132 123.021 119.800 0.148 0.000 2.316 567 Q HA 0.407 4.747 4.340 0.001 0.000 0.264 567 Q C -1.590 174.509 176.000 0.166 0.000 0.987 567 Q CA -0.732 55.102 55.803 0.051 0.000 0.852 567 Q CB 0.896 29.645 28.738 0.019 0.000 1.287 567 Q HN 0.591 nan 8.270 nan 0.000 0.448 568 Y N 0.261 120.560 120.300 -0.001 0.000 2.592 568 Y HA 0.499 5.050 4.550 0.001 0.000 0.334 568 Y C -1.463 174.439 175.900 0.005 0.000 1.136 568 Y CA -1.506 56.596 58.100 0.004 0.000 1.042 568 Y CB 0.649 39.111 38.460 0.004 0.000 1.325 568 Y HN 0.497 nan 8.280 nan 0.000 0.457 569 N N 1.329 120.098 118.700 0.115 0.000 2.513 569 N HA 0.491 5.232 4.740 0.001 0.000 0.274 569 N C -1.111 174.469 175.510 0.117 0.000 1.189 569 N CA -0.369 52.713 53.050 0.052 0.000 0.975 569 N CB 1.000 39.522 38.487 0.058 0.000 1.157 569 N HN 0.705 nan 8.380 nan 0.000 0.465 570 I N 1.149 121.760 120.570 0.069 0.000 2.388 570 I HA 0.233 4.403 4.170 0.001 0.000 0.281 570 I C 1.346 177.512 176.117 0.081 0.000 1.046 570 I CA -0.377 60.983 61.300 0.101 0.000 1.187 570 I CB 1.155 39.197 38.000 0.070 0.000 1.351 570 I HN 0.710 nan 8.210 nan 0.000 0.472 571 G N 6.033 114.884 108.800 0.085 0.000 2.484 571 G HA2 -0.088 3.873 3.960 0.001 0.000 0.218 571 G HA3 -0.088 3.873 3.960 0.001 0.000 0.218 571 G C 0.497 175.440 174.900 0.071 0.000 1.130 571 G CA 0.194 45.337 45.100 0.072 0.000 0.784 571 G HN 0.678 nan 8.290 nan 0.000 0.543 572 N N -1.063 117.683 118.700 0.076 0.000 2.455 572 N HA 0.190 4.931 4.740 0.001 0.000 0.278 572 N C 0.093 175.659 175.510 0.093 0.000 1.291 572 N CA -0.599 52.500 53.050 0.081 0.000 0.780 572 N CB 1.356 39.886 38.487 0.073 0.000 1.520 572 N HN -0.012 nan 8.380 nan 0.000 0.486 573 E N 0.301 120.567 120.200 0.109 0.000 2.097 573 E HA -0.282 4.068 4.350 0.001 0.000 0.196 573 E C 1.327 178.000 176.600 0.122 0.000 1.000 573 E CA 1.785 58.268 56.400 0.137 0.000 0.804 573 E CB -0.009 29.785 29.700 0.158 0.000 0.740 573 E HN 0.555 nan 8.360 nan 0.000 0.454 574 Q N 0.604 120.462 119.800 0.096 0.000 2.119 574 Q HA -0.151 4.190 4.340 0.001 0.000 0.201 574 Q C 1.480 177.498 176.000 0.030 0.000 0.972 574 Q CA 1.439 57.282 55.803 0.066 0.000 0.847 574 Q CB 0.219 28.995 28.738 0.063 0.000 0.903 574 Q HN 0.215 nan 8.270 nan 0.000 0.433 575 D N -0.792 119.634 120.400 0.043 0.000 2.277 575 D HA -0.042 4.599 4.640 0.001 0.000 0.208 575 D C 1.279 177.597 176.300 0.031 0.000 0.962 575 D CA 1.012 55.034 54.000 0.036 0.000 0.865 575 D CB -0.006 40.831 40.800 0.061 0.000 0.939 575 D HN 0.335 nan 8.370 nan 0.000 0.510 576 A N 0.779 123.627 122.820 0.047 0.000 2.119 576 A HA 0.223 4.544 4.320 0.001 0.000 0.217 576 A C 1.425 178.999 177.584 -0.016 0.000 1.153 576 A CA 0.575 52.644 52.037 0.054 0.000 0.692 576 A CB -0.104 18.963 19.000 0.112 0.000 0.799 576 A HN 0.155 nan 8.150 nan 0.000 0.458 577 A N 0.991 123.742 122.820 -0.114 0.000 2.437 577 A HA 0.525 4.846 4.320 0.001 0.000 0.303 577 A C 0.171 177.497 177.584 -0.430 0.000 1.324 577 A CA -0.224 51.533 52.037 -0.466 0.000 0.983 577 A CB -0.421 18.189 19.000 -0.651 0.000 1.142 577 A HN 0.682 nan 8.150 nan 0.000 0.541 578 Q N 1.755 121.335 119.800 -0.366 0.000 2.707 578 Q HA 0.517 4.858 4.340 0.001 0.000 0.307 578 Q C -1.197 174.739 176.000 -0.107 0.000 0.934 578 Q CA -1.323 54.363 55.803 -0.195 0.000 0.753 578 Q CB 0.884 29.587 28.738 -0.059 0.000 1.478 578 Q HN 0.328 nan 8.270 nan 0.000 0.458 579 K N 0.549 120.929 120.400 -0.034 0.000 2.202 579 K HA 0.364 4.685 4.320 0.001 0.000 0.264 579 K C -1.019 175.656 176.600 0.125 0.000 1.010 579 K CA -0.216 56.091 56.287 0.034 0.000 0.940 579 K CB 0.514 33.020 32.500 0.010 0.000 0.983 579 K HN 0.570 nan 8.250 nan 0.000 0.475 580 F N 1.912 121.868 119.950 0.011 0.000 2.426 580 F HA 0.162 4.690 4.527 0.001 0.000 0.348 580 F C -0.361 175.466 175.800 0.044 0.000 1.124 580 F CA -1.278 56.747 58.000 0.041 0.000 1.008 580 F CB 1.100 40.153 39.000 0.088 0.000 1.139 580 F HN 0.351 nan 8.300 nan 0.000 0.452 581 D N 8.694 128.720 120.400 -0.623 0.000 2.373 581 D HA 0.312 4.952 4.640 0.001 0.000 0.227 581 D C -1.905 173.845 176.300 -0.917 0.000 1.091 581 D CA -2.622 51.075 54.000 -0.505 0.000 0.840 581 D CB 2.008 42.639 40.800 -0.281 0.000 1.060 581 D HN 0.285 nan 8.370 nan 0.000 0.502 582 P HA -0.016 nan 4.420 nan 0.000 0.228 582 P C 1.088 178.286 177.300 -0.169 0.000 1.151 582 P CA 0.484 63.377 63.100 -0.346 0.000 0.770 582 P CB 0.237 32.033 31.700 0.161 0.000 0.786 583 G N -0.496 108.194 108.800 -0.183 0.000 2.880 583 G HA2 0.010 3.971 3.960 0.001 0.000 0.209 583 G HA3 0.010 3.971 3.960 0.001 0.000 0.209 583 G C 0.668 175.517 174.900 -0.085 0.000 1.157 583 G CA 0.495 45.546 45.100 -0.083 0.000 0.779 583 G HN 0.425 nan 8.290 nan 0.000 0.539 584 T N -1.777 112.678 114.554 -0.165 0.000 2.937 584 T HA 0.725 5.076 4.350 0.001 0.000 0.283 584 T C -0.454 174.216 174.700 -0.050 0.000 1.012 584 T CA -0.841 61.196 62.100 -0.106 0.000 0.997 584 T CB 2.264 71.059 68.868 -0.121 0.000 1.136 584 T HN -0.081 nan 8.240 nan 0.000 0.551 585 I N 1.068 121.604 120.570 -0.057 0.000 2.465 585 I HA 0.491 4.662 4.170 0.001 0.000 0.291 585 I C -0.128 175.918 176.117 -0.117 0.000 1.014 585 I CA -1.044 60.198 61.300 -0.097 0.000 1.093 585 I CB 1.771 39.600 38.000 -0.285 0.000 1.267 585 I HN 0.416 nan 8.210 nan 0.000 0.431 586 R N 7.259 127.732 120.500 -0.046 0.000 2.439 586 R HA 0.655 4.995 4.340 0.001 0.000 0.310 586 R C -1.295 174.930 176.300 -0.123 0.000 0.955 586 R CA -0.721 55.344 56.100 -0.059 0.000 0.853 586 R CB 1.887 32.230 30.300 0.071 0.000 1.171 586 R HN 0.553 nan 8.270 nan 0.000 0.449 587 L N 3.210 124.331 121.223 -0.171 0.000 2.346 587 L HA 0.531 4.871 4.340 0.001 0.000 0.274 587 L C -0.408 176.436 176.870 -0.043 0.000 1.007 587 L CA -1.324 53.430 54.840 -0.143 0.000 0.818 587 L CB 1.831 43.731 42.059 -0.265 0.000 1.284 587 L HN 0.245 nan 8.230 nan 0.000 0.424 588 L N 2.091 123.331 121.223 0.028 0.000 2.262 588 L HA 0.492 4.833 4.340 0.001 0.000 0.288 588 L C -0.291 176.630 176.870 0.085 0.000 1.035 588 L CA 0.487 55.363 54.840 0.060 0.000 0.820 588 L CB 1.095 43.203 42.059 0.082 0.000 1.204 588 L HN 0.573 nan 8.230 nan 0.000 0.424 589 S N 3.534 119.270 115.700 0.060 0.000 2.704 589 S HA 0.513 4.984 4.470 0.001 0.000 0.305 589 S C -0.584 174.057 174.600 0.070 0.000 1.107 589 S CA -0.808 57.439 58.200 0.078 0.000 0.993 589 S CB 1.414 64.642 63.200 0.046 0.000 1.110 589 S HN 0.647 nan 8.310 nan 0.000 0.534 590 N N 2.425 121.165 118.700 0.067 0.000 2.558 590 N HA 0.269 5.010 4.740 0.001 0.000 0.242 590 N C -2.076 173.444 175.510 0.018 0.000 0.979 590 N CA -2.073 50.999 53.050 0.038 0.000 0.931 590 N CB 1.308 39.811 38.487 0.027 0.000 1.122 590 N HN 0.245 nan 8.380 nan 0.000 0.508 591 P HA -0.018 nan 4.420 nan 0.000 0.239 591 P C -0.013 177.287 177.300 -0.001 0.000 1.184 591 P CA 0.738 63.844 63.100 0.010 0.000 0.760 591 P CB 0.471 32.179 31.700 0.014 0.000 0.884 592 N N -0.214 118.481 118.700 -0.009 0.000 2.236 592 N HA 0.094 4.835 4.740 0.001 0.000 0.196 592 N C 0.302 175.792 175.510 -0.034 0.000 1.114 592 N CA 0.270 53.308 53.050 -0.019 0.000 0.859 592 N CB 0.773 39.246 38.487 -0.022 0.000 0.982 592 N HN 0.277 nan 8.380 nan 0.000 0.493 593 K N 0.803 121.178 120.400 -0.041 0.000 2.513 593 K HA 0.337 4.658 4.320 0.001 0.000 0.251 593 K C -0.831 175.726 176.600 -0.072 0.000 0.939 593 K CA -0.410 55.836 56.287 -0.069 0.000 0.793 593 K CB 2.507 34.946 32.500 -0.101 0.000 1.241 593 K HN -0.020 nan 8.250 nan 0.000 0.431 594 E N 1.010 121.165 120.200 -0.075 0.000 2.299 594 E HA 0.213 4.564 4.350 0.001 0.000 0.260 594 E C -0.672 175.870 176.600 -0.096 0.000 0.944 594 E CA -0.995 55.365 56.400 -0.067 0.000 0.815 594 E CB 1.814 31.490 29.700 -0.041 0.000 1.252 594 E HN 0.661 nan 8.360 nan 0.000 0.418 595 N N -0.298 118.351 118.700 -0.084 0.000 2.431 595 N HA 0.146 4.886 4.740 0.001 0.000 0.289 595 N C 0.861 176.333 175.510 -0.063 0.000 1.277 595 N CA -0.742 52.250 53.050 -0.095 0.000 0.972 595 N CB 0.978 39.412 38.487 -0.088 0.000 1.143 595 N HN 0.300 nan 8.380 nan 0.000 0.578 596 R N -1.145 119.323 120.500 -0.054 0.000 2.200 596 R HA -0.026 4.314 4.340 0.001 0.000 0.234 596 R C 0.799 177.078 176.300 -0.034 0.000 1.127 596 R CA 1.370 57.446 56.100 -0.040 0.000 0.989 596 R CB -0.128 30.152 30.300 -0.034 0.000 0.869 596 R HN 0.610 nan 8.270 nan 0.000 0.459 597 M N -0.956 118.623 119.600 -0.034 0.000 2.453 597 M HA 0.281 4.761 4.480 0.001 0.000 0.239 597 M C 0.757 177.046 176.300 -0.019 0.000 1.151 597 M CA 0.510 55.794 55.300 -0.027 0.000 0.989 597 M CB 1.402 33.983 32.600 -0.031 0.000 1.548 597 M HN 0.310 nan 8.290 nan 0.000 0.479 598 G N 0.457 109.244 108.800 -0.021 0.000 2.143 598 G HA2 -0.281 3.680 3.960 0.001 0.000 0.249 598 G HA3 -0.281 3.680 3.960 0.001 0.000 0.249 598 G C -0.006 174.893 174.900 -0.002 0.000 0.981 598 G CA -0.039 45.053 45.100 -0.013 0.000 0.665 598 G HN 0.519 nan 8.290 nan 0.000 0.528 599 N N 1.343 120.043 118.700 -0.001 0.000 2.473 599 N HA 0.533 5.273 4.740 0.001 0.000 0.291 599 N C -2.713 172.811 175.510 0.023 0.000 1.083 599 N CA -1.752 51.314 53.050 0.028 0.000 0.951 599 N CB 1.522 40.036 38.487 0.045 0.000 1.164 599 N HN -0.028 nan 8.380 nan 0.000 0.480 600 P HA -0.050 nan 4.420 nan 0.000 0.263 600 P C -0.499 176.834 177.300 0.054 0.000 1.195 600 P CA -0.277 62.843 63.100 0.033 0.000 0.762 600 P CB 0.356 32.082 31.700 0.044 0.000 0.799 601 V N 1.882 121.797 119.914 0.002 0.000 2.529 601 V HA 0.384 4.505 4.120 0.001 0.000 0.292 601 V C 0.041 176.244 176.094 0.182 0.000 1.028 601 V CA 0.447 62.752 62.300 0.008 0.000 1.074 601 V CB -0.164 31.512 31.823 -0.245 0.000 0.958 601 V HN 0.466 nan 8.190 nan 0.000 0.481 602 S N 3.172 119.044 115.700 0.287 0.000 2.685 602 S HA 0.770 5.241 4.470 0.001 0.000 0.282 602 S C -1.471 173.297 174.600 0.280 0.000 1.159 602 S CA -0.506 57.872 58.200 0.296 0.000 0.833 602 S CB 1.716 65.033 63.200 0.195 0.000 1.151 602 S HN 0.737 nan 8.310 nan 0.000 0.485 603 Y N 1.529 121.893 120.300 0.107 0.000 2.361 603 Y HA 0.441 4.992 4.550 0.001 0.000 0.337 603 Y C 0.043 175.956 175.900 0.022 0.000 0.965 603 Y CA -0.484 57.644 58.100 0.047 0.000 1.091 603 Y CB 1.700 40.143 38.460 -0.028 0.000 1.182 603 Y HN 0.591 nan 8.280 nan 0.000 0.450 604 Q N 4.095 123.956 119.800 0.102 0.000 2.261 604 Q HA 0.555 4.895 4.340 0.001 0.000 0.252 604 Q C -1.345 174.684 176.000 0.049 0.000 0.915 604 Q CA -0.433 55.379 55.803 0.015 0.000 0.915 604 Q CB 0.800 29.574 28.738 0.059 0.000 1.204 604 Q HN 0.718 nan 8.270 nan 0.000 0.421 605 I N 5.569 126.136 120.570 -0.004 0.000 2.355 605 I HA 0.316 4.487 4.170 0.001 0.000 0.288 605 I C -0.529 175.482 176.117 -0.175 0.000 0.999 605 I CA -0.498 60.772 61.300 -0.050 0.000 1.163 605 I CB 1.266 39.241 38.000 -0.042 0.000 1.316 605 I HN 0.559 nan 8.210 nan 0.000 0.454 606 I N 8.469 128.918 120.570 -0.202 0.000 2.502 606 I HA 0.266 4.437 4.170 0.001 0.000 0.276 606 I C -1.794 174.123 176.117 -0.335 0.000 1.057 606 I CA -1.511 59.592 61.300 -0.329 0.000 1.163 606 I CB 1.247 39.210 38.000 -0.063 0.000 1.288 606 I HN 0.347 nan 8.210 nan 0.000 0.479 607 P HA -0.132 nan 4.420 nan 0.000 0.229 607 P C -0.186 177.160 177.300 0.076 0.000 1.160 607 P CA 1.080 64.072 63.100 -0.180 0.000 0.777 607 P CB 0.029 31.633 31.700 -0.161 0.000 0.814 608 Y N 0.141 120.407 120.300 -0.056 0.000 2.594 608 Y HA 0.614 5.165 4.550 0.001 0.000 0.338 608 Y C 0.145 176.179 175.900 0.223 0.000 1.019 608 Y CA -1.418 56.802 58.100 0.200 0.000 1.306 608 Y CB 0.582 39.272 38.460 0.383 0.000 1.094 608 Y HN -0.152 nan 8.280 nan 0.000 0.534 609 A N 3.426 126.055 122.820 -0.318 0.000 2.535 609 A HA 0.716 5.037 4.320 0.001 0.000 0.273 609 A C 0.816 178.198 177.584 -0.337 0.000 1.267 609 A CA 0.312 52.188 52.037 -0.268 0.000 0.940 609 A CB -0.591 18.352 19.000 -0.094 0.000 1.101 609 A HN 1.439 nan 8.150 nan 0.000 0.521 610 G N -2.342 105.992 108.800 -0.778 0.000 2.381 610 G HA2 0.527 4.488 3.960 0.001 0.000 0.672 610 G HA3 0.527 4.488 3.960 0.001 0.000 0.672 610 G C -0.257 174.674 174.900 0.052 0.000 1.324 610 G CA -0.273 44.670 45.100 -0.261 0.000 0.975 610 G HN 1.929 nan 8.290 nan 0.000 0.593 611 G N -2.202 106.693 108.800 0.159 0.000 2.387 611 G HA2 0.719 4.679 3.960 0.001 0.000 0.294 611 G HA3 0.719 4.679 3.960 0.001 0.000 0.294 611 G C 0.460 175.435 174.900 0.125 0.000 1.509 611 G CA 0.949 46.098 45.100 0.082 0.000 0.806 611 G HN 2.036 nan 8.290 nan 0.000 0.546 612 T N -2.618 111.978 114.554 0.071 0.000 3.060 612 T HA 0.293 4.644 4.350 0.001 0.000 0.249 612 T C 0.585 175.321 174.700 0.061 0.000 1.079 612 T CA 0.568 62.703 62.100 0.058 0.000 1.013 612 T CB 0.050 68.934 68.868 0.027 0.000 0.975 612 T HN 0.445 nan 8.240 nan 0.000 0.518 613 H N 1.577 120.659 119.070 0.020 0.000 2.651 613 H HA 0.591 5.148 4.556 0.001 0.000 0.353 613 H C -2.584 172.764 175.328 0.033 0.000 1.178 613 H CA -2.519 53.521 56.048 -0.015 0.000 1.224 613 H CB 1.286 31.007 29.762 -0.067 0.000 1.702 613 H HN 0.040 nan 8.280 nan 0.000 0.550 614 P HA -0.036 nan 4.420 nan 0.000 0.266 614 P C -0.446 176.900 177.300 0.077 0.000 1.195 614 P CA -0.035 63.106 63.100 0.069 0.000 0.768 614 P CB 0.578 32.274 31.700 -0.006 0.000 0.838 615 V N 2.659 122.611 119.914 0.063 0.000 2.649 615 V HA 0.503 4.624 4.120 0.001 0.000 0.292 615 V C -0.041 176.042 176.094 -0.017 0.000 1.055 615 V CA -0.548 61.772 62.300 0.033 0.000 1.023 615 V CB 0.695 32.466 31.823 -0.086 0.000 0.992 615 V HN 0.681 nan 8.190 nan 0.000 0.480 616 A N 5.456 128.279 122.820 0.005 0.000 2.302 616 A HA 0.430 4.751 4.320 0.001 0.000 0.295 616 A C 0.783 178.351 177.584 -0.025 0.000 1.235 616 A CA -0.368 51.662 52.037 -0.010 0.000 0.876 616 A CB 0.189 19.195 19.000 0.010 0.000 1.133 616 A HN 0.977 nan 8.150 nan 0.000 0.533 617 K N 1.898 122.276 120.400 -0.036 0.000 2.459 617 K HA 0.280 4.601 4.320 0.001 0.000 0.193 617 K C 0.919 177.521 176.600 0.004 0.000 1.030 617 K CA 0.749 57.015 56.287 -0.035 0.000 1.026 617 K CB 0.238 32.715 32.500 -0.039 0.000 0.809 617 K HN 0.919 nan 8.250 nan 0.000 0.504 618 G N 0.147 108.957 108.800 0.017 0.000 2.323 618 G HA2 0.413 4.374 3.960 0.001 0.000 0.291 618 G HA3 0.413 4.374 3.960 0.001 0.000 0.291 618 G C -1.782 173.144 174.900 0.044 0.000 1.278 618 G CA -0.551 44.577 45.100 0.046 0.000 0.860 618 G HN 0.063 nan 8.290 nan 0.000 0.504 619 A N -0.311 122.568 122.820 0.099 0.000 2.363 619 A HA 0.629 4.950 4.320 0.001 0.000 0.270 619 A C 0.276 177.918 177.584 0.097 0.000 1.121 619 A CA -0.194 51.924 52.037 0.134 0.000 0.800 619 A CB 0.611 19.782 19.000 0.285 0.000 1.052 619 A HN 0.391 nan 8.150 nan 0.000 0.493 620 Q N 1.788 121.514 119.800 -0.123 0.000 3.181 620 Q HA 0.318 4.659 4.340 0.001 0.000 0.293 620 Q C -1.646 174.124 176.000 -0.384 0.000 1.406 620 Q CA 0.517 56.196 55.803 -0.208 0.000 1.026 620 Q CB -0.493 28.100 28.738 -0.243 0.000 1.630 620 Q HN 0.544 nan 8.270 nan 0.000 0.553 621 F N -0.485 119.512 119.950 0.078 0.000 2.591 621 F HA 0.508 5.036 4.527 0.001 0.000 0.309 621 F C 0.260 176.038 175.800 -0.037 0.000 1.098 621 F CA -1.261 56.781 58.000 0.070 0.000 0.937 621 F CB 1.170 40.270 39.000 0.168 0.000 1.250 621 F HN 0.145 nan 8.300 nan 0.000 0.447 622 A N 3.466 126.365 122.820 0.131 0.000 2.406 622 A HA 0.387 4.708 4.320 0.001 0.000 0.243 622 A C -1.600 175.817 177.584 -0.278 0.000 1.082 622 A CA -0.915 51.088 52.037 -0.057 0.000 0.786 622 A CB -0.254 18.731 19.000 -0.025 0.000 1.029 622 A HN 0.580 nan 8.150 nan 0.000 0.495 623 P HA -0.137 nan 4.420 nan 0.000 0.222 623 P C 0.346 177.392 177.300 -0.424 0.000 1.147 623 P CA 1.467 64.123 63.100 -0.740 0.000 0.790 623 P CB -0.096 31.331 31.700 -0.456 0.000 0.780 624 D N -1.071 119.184 120.400 -0.241 0.000 2.325 624 D HA -0.008 4.632 4.640 0.001 0.000 0.234 624 D C 0.229 176.427 176.300 -0.169 0.000 1.122 624 D CA 0.046 53.929 54.000 -0.195 0.000 0.850 624 D CB -0.304 40.415 40.800 -0.136 0.000 0.921 624 D HN 0.105 nan 8.370 nan 0.000 0.513 625 E N -0.420 119.718 120.200 -0.103 0.000 2.319 625 E HA 0.075 4.426 4.350 0.001 0.000 0.268 625 E C 0.194 176.761 176.600 -0.055 0.000 1.050 625 E CA -0.558 55.836 56.400 -0.011 0.000 0.878 625 E CB 0.920 30.642 29.700 0.036 0.000 1.066 625 E HN 0.225 nan 8.360 nan 0.000 0.406 626 W N 1.455 122.739 121.300 -0.027 0.000 2.443 626 W HA 0.020 4.681 4.660 0.002 0.000 0.296 626 W C 2.144 178.620 176.519 -0.073 0.000 1.202 626 W CA 0.101 57.433 57.345 -0.021 0.000 1.312 626 W CB -0.087 29.270 29.460 -0.172 0.000 1.120 626 W HN 0.577 nan 8.180 nan 0.000 0.536 627 I N -0.272 120.271 120.570 -0.044 0.000 2.315 627 I HA -0.394 3.777 4.170 0.001 0.000 0.251 627 I C 2.350 178.357 176.117 -0.183 0.000 1.125 627 I CA 1.603 62.782 61.300 -0.202 0.000 1.392 627 I CB -0.295 37.412 38.000 -0.489 0.000 1.065 627 I HN 0.078 nan 8.210 nan 0.000 0.424 628 Y N 0.731 120.856 120.300 -0.292 0.000 2.145 628 Y HA -0.370 4.181 4.550 0.001 0.000 0.286 628 Y C 2.686 178.566 175.900 -0.033 0.000 1.145 628 Y CA 2.450 60.462 58.100 -0.147 0.000 1.148 628 Y CB -0.524 37.888 38.460 -0.079 0.000 0.981 628 Y HN 0.364 nan 8.280 nan 0.000 0.507 629 H N 0.032 119.151 119.070 0.082 0.000 2.357 629 H HA -0.062 4.495 4.556 0.001 0.000 0.301 629 H C 2.164 177.500 175.328 0.014 0.000 1.082 629 H CA 2.087 58.151 56.048 0.027 0.000 1.342 629 H CB -0.093 29.622 29.762 -0.079 0.000 1.389 629 H HN 0.240 nan 8.280 nan 0.000 0.511 630 R N -0.349 120.145 120.500 -0.010 0.000 2.115 630 R HA 0.073 4.414 4.340 0.001 0.000 0.230 630 R C 0.178 176.398 176.300 -0.134 0.000 1.111 630 R CA 1.012 57.058 56.100 -0.090 0.000 0.976 630 R CB 0.175 30.501 30.300 0.042 0.000 0.870 630 R HN 0.254 nan 8.270 nan 0.000 0.445 631 L N 1.187 122.328 121.223 -0.137 0.000 2.445 631 L HA 0.248 4.589 4.340 0.001 0.000 0.252 631 L C 0.574 177.291 176.870 -0.255 0.000 1.105 631 L CA -0.409 54.362 54.840 -0.116 0.000 0.943 631 L CB 1.769 43.779 42.059 -0.081 0.000 1.277 631 L HN 0.107 nan 8.230 nan 0.000 0.465 632 S N 1.061 116.655 115.700 -0.177 0.000 2.402 632 S HA -0.225 4.246 4.470 0.001 0.000 0.229 632 S C 1.773 176.391 174.600 0.031 0.000 1.021 632 S CA 0.994 59.119 58.200 -0.125 0.000 0.974 632 S CB -0.464 62.793 63.200 0.095 0.000 0.800 632 S HN 0.710 nan 8.310 nan 0.000 0.484 633 F N 2.244 122.105 119.950 -0.148 0.000 2.176 633 F HA -0.173 4.354 4.527 0.001 0.000 0.301 633 F C 1.988 177.907 175.800 0.198 0.000 1.071 633 F CA 1.132 59.085 58.000 -0.077 0.000 1.289 633 F CB -1.006 37.756 39.000 -0.397 0.000 1.028 633 F HN 0.071 nan 8.300 nan 0.000 0.494 634 M N 0.235 119.360 119.600 -0.792 0.000 2.358 634 M HA -0.170 4.311 4.480 0.001 0.000 0.264 634 M C 1.253 177.483 176.300 -0.116 0.000 1.064 634 M CA 1.919 56.905 55.300 -0.522 0.000 1.093 634 M CB -0.543 31.755 32.600 -0.503 0.000 1.401 634 M HN 0.206 nan 8.290 nan 0.000 0.440 635 D N -0.003 120.373 120.400 -0.041 0.000 2.354 635 D HA 0.033 4.673 4.640 0.001 0.000 0.209 635 D C 0.031 176.362 176.300 0.052 0.000 1.015 635 D CA 0.597 54.615 54.000 0.030 0.000 0.867 635 D CB 0.574 41.377 40.800 0.004 0.000 0.933 635 D HN -0.052 nan 8.370 nan 0.000 0.520 636 K N 0.056 120.510 120.400 0.090 0.000 2.267 636 K HA 0.332 4.652 4.320 0.001 0.000 0.246 636 K C 0.164 176.840 176.600 0.127 0.000 0.954 636 K CA -0.470 55.779 56.287 -0.064 0.000 0.824 636 K CB 1.686 33.841 32.500 -0.575 0.000 1.167 636 K HN -0.166 nan 8.250 nan 0.000 0.431 637 Q N 0.113 119.976 119.800 0.105 0.000 2.391 637 Q HA 0.179 4.520 4.340 0.001 0.000 0.211 637 Q C -0.216 175.922 176.000 0.230 0.000 0.908 637 Q CA 0.219 56.153 55.803 0.219 0.000 0.920 637 Q CB 0.373 29.255 28.738 0.239 0.000 1.056 637 Q HN 0.343 nan 8.270 nan 0.000 0.523 638 L N -0.201 121.084 121.223 0.104 0.000 2.410 638 L HA 0.628 4.969 4.340 0.001 0.000 0.270 638 L C -2.083 174.813 176.870 0.043 0.000 0.983 638 L CA -0.466 54.465 54.840 0.151 0.000 0.822 638 L CB 1.244 43.367 42.059 0.107 0.000 1.285 638 L HN -0.010 nan 8.230 nan 0.000 0.409 639 W N 3.962 125.392 121.300 0.216 0.000 3.127 639 W HA 0.778 5.439 4.660 0.001 0.000 0.330 639 W C -1.331 175.376 176.519 0.313 0.000 1.187 639 W CA -0.822 56.642 57.345 0.198 0.000 1.198 639 W CB 2.159 31.677 29.460 0.095 0.000 1.408 639 W HN 0.282 nan 8.180 nan 0.000 0.529 640 V N 2.383 122.588 119.914 0.485 0.000 2.569 640 V HA 0.737 4.857 4.120 0.001 0.000 0.301 640 V C -0.304 176.012 176.094 0.369 0.000 1.044 640 V CA -0.815 61.729 62.300 0.408 0.000 0.874 640 V CB 1.524 33.495 31.823 0.247 0.000 1.002 640 V HN 0.583 nan 8.190 nan 0.000 0.424 641 T N 1.331 116.134 114.554 0.415 0.000 2.906 641 T HA 0.763 5.114 4.350 0.001 0.000 0.295 641 T C -0.483 174.324 174.700 0.180 0.000 1.075 641 T CA -0.970 61.311 62.100 0.302 0.000 1.005 641 T CB 2.183 71.262 68.868 0.351 0.000 1.136 641 T HN 0.581 nan 8.240 nan 0.000 0.498 642 R N 0.639 121.165 120.500 0.044 0.000 2.543 642 R HA 0.298 4.639 4.340 0.001 0.000 0.277 642 R C -0.783 175.355 176.300 -0.271 0.000 1.074 642 R CA -0.624 55.419 56.100 -0.096 0.000 1.076 642 R CB -0.283 29.931 30.300 -0.144 0.000 0.993 642 R HN 0.762 nan 8.270 nan 0.000 0.459 643 Y N 4.514 124.657 120.300 -0.261 0.000 2.632 643 Y HA 0.099 4.650 4.550 0.001 0.000 0.329 643 Y C -0.870 174.830 175.900 -0.335 0.000 1.174 643 Y CA 0.768 58.738 58.100 -0.218 0.000 1.469 643 Y CB 0.296 38.694 38.460 -0.105 0.000 1.242 643 Y HN 0.564 nan 8.280 nan 0.000 0.540 644 H N 7.752 126.357 119.070 -0.776 0.000 3.096 644 H HA 0.189 4.746 4.556 0.001 0.000 0.335 644 H C -2.004 172.828 175.328 -0.827 0.000 0.990 644 H CA -2.170 53.478 56.048 -0.668 0.000 1.393 644 H CB 1.759 31.319 29.762 -0.337 0.000 1.742 644 H HN 0.483 nan 8.280 nan 0.000 0.501 645 P HA -0.092 nan 4.420 nan 0.000 0.223 645 P C 1.202 178.360 177.300 -0.236 0.000 1.144 645 P CA 1.105 63.975 63.100 -0.382 0.000 0.783 645 P CB 0.198 31.808 31.700 -0.150 0.000 0.771 646 G N -0.609 108.060 108.800 -0.219 0.000 3.337 646 G HA2 0.030 3.991 3.960 0.001 0.000 0.246 646 G HA3 0.030 3.991 3.960 0.001 0.000 0.246 646 G C 0.166 174.916 174.900 -0.251 0.000 1.131 646 G CA -0.147 44.847 45.100 -0.176 0.000 0.773 646 G HN 0.252 nan 8.290 nan 0.000 0.544 647 E N 0.552 120.527 120.200 -0.375 0.000 2.173 647 E HA 0.350 4.700 4.350 0.001 0.000 0.249 647 E C 0.339 176.712 176.600 -0.378 0.000 0.923 647 E CA -0.418 55.564 56.400 -0.697 0.000 0.754 647 E CB 1.183 30.251 29.700 -1.053 0.000 1.177 647 E HN 0.135 nan 8.360 nan 0.000 0.430 648 R N 1.357 121.618 120.500 -0.398 0.000 2.453 648 R HA 0.194 4.535 4.340 0.001 0.000 0.233 648 R C -0.283 175.726 176.300 -0.484 0.000 0.895 648 R CA 0.183 55.934 56.100 -0.581 0.000 1.028 648 R CB 0.762 30.284 30.300 -1.298 0.000 1.255 648 R HN 0.237 nan 8.270 nan 0.000 0.571 649 F N 1.527 121.664 119.950 0.311 0.000 2.507 649 F HA 0.373 4.900 4.527 0.001 0.000 0.325 649 F C -1.562 174.204 175.800 -0.056 0.000 1.116 649 F CA -3.063 55.015 58.000 0.131 0.000 0.930 649 F CB 1.369 40.355 39.000 -0.024 0.000 1.146 649 F HN -0.254 nan 8.300 nan 0.000 0.447 650 P HA -0.179 nan 4.420 nan 0.000 0.218 650 P C 0.836 177.685 177.300 -0.751 0.000 1.149 650 P CA 1.589 64.280 63.100 -0.681 0.000 0.817 650 P CB 0.225 31.315 31.700 -1.018 0.000 0.785 651 E N 0.262 120.108 120.200 -0.590 0.000 2.479 651 E HA 0.198 4.548 4.350 0.001 0.000 0.193 651 E C 0.785 177.271 176.600 -0.190 0.000 1.049 651 E CA 0.523 56.750 56.400 -0.289 0.000 0.870 651 E CB -0.350 29.252 29.700 -0.164 0.000 0.944 651 E HN 0.160 nan 8.360 nan 0.000 0.492 652 G N 1.893 110.602 108.800 -0.152 0.000 2.629 652 G HA2 -0.258 3.703 3.960 0.001 0.000 0.686 652 G HA3 -0.258 3.703 3.960 0.001 0.000 0.686 652 G C 0.038 174.915 174.900 -0.038 0.000 1.232 652 G CA -0.091 44.959 45.100 -0.084 0.000 0.803 652 G HN 0.139 nan 8.290 nan 0.000 0.638 653 K N -0.748 119.641 120.400 -0.018 0.000 2.148 653 K HA 0.052 4.372 4.320 0.001 0.000 0.204 653 K C 0.281 176.495 176.600 -0.644 0.000 1.050 653 K CA 1.400 57.504 56.287 -0.305 0.000 0.942 653 K CB -0.084 32.248 32.500 -0.280 0.000 0.724 653 K HN 0.512 nan 8.250 nan 0.000 0.446 654 Y N 0.377 120.635 120.300 -0.070 0.000 2.662 654 Y HA 0.261 4.812 4.550 0.001 0.000 0.358 654 Y C -2.024 173.824 175.900 -0.086 0.000 1.041 654 Y CA -2.214 55.837 58.100 -0.081 0.000 1.184 654 Y CB 1.559 39.984 38.460 -0.059 0.000 1.114 654 Y HN 0.105 nan 8.280 nan 0.000 0.650 655 P HA -0.087 nan 4.420 nan 0.000 0.229 655 P C 0.149 177.444 177.300 -0.009 0.000 1.160 655 P CA 0.552 63.634 63.100 -0.029 0.000 0.777 655 P CB 0.492 32.164 31.700 -0.047 0.000 0.814 656 N N 2.030 120.736 118.700 0.010 0.000 2.427 656 N HA -0.037 4.704 4.740 0.001 0.000 0.269 656 N C 0.141 175.637 175.510 -0.023 0.000 1.235 656 N CA 0.263 53.300 53.050 -0.022 0.000 0.934 656 N CB -0.587 37.879 38.487 -0.034 0.000 1.121 656 N HN -0.065 nan 8.380 nan 0.000 0.480 657 R N 0.539 121.000 120.500 -0.065 0.000 3.525 657 R HA -0.165 4.175 4.340 0.001 0.000 0.276 657 R C -0.399 175.871 176.300 -0.050 0.000 1.116 657 R CA 0.789 56.850 56.100 -0.065 0.000 0.745 657 R CB -2.742 27.433 30.300 -0.208 0.000 1.185 657 R HN 0.703 nan 8.270 nan 0.000 0.454 658 S N -0.805 114.861 115.700 -0.058 0.000 2.576 658 S HA 0.233 4.704 4.470 0.001 0.000 0.276 658 S C 1.469 175.943 174.600 -0.210 0.000 1.339 658 S CA -0.036 58.094 58.200 -0.117 0.000 1.039 658 S CB 1.682 64.806 63.200 -0.128 0.000 0.902 658 S HN 0.356 nan 8.310 nan 0.000 0.516 659 T N -2.758 111.653 114.554 -0.239 0.000 3.023 659 T HA 0.199 4.550 4.350 0.001 0.000 0.253 659 T C 0.354 175.216 174.700 0.270 0.000 1.038 659 T CA 0.050 61.979 62.100 -0.285 0.000 0.962 659 T CB -0.511 68.120 68.868 -0.394 0.000 1.018 659 T HN 0.970 nan 8.240 nan 0.000 0.521 660 H N -1.528 117.542 119.070 -0.000 0.000 3.042 660 H HA 0.434 4.990 4.556 0.001 0.000 0.346 660 H C -2.023 173.233 175.328 -0.120 0.000 1.294 660 H CA -0.976 55.055 56.048 -0.028 0.000 1.141 660 H CB 0.654 30.437 29.762 0.036 0.000 1.872 660 H HN -0.035 nan 8.280 nan 0.000 0.541 661 D N 1.605 121.863 120.400 -0.237 0.000 2.412 661 D HA 0.027 4.668 4.640 0.001 0.000 0.257 661 D C 0.717 176.852 176.300 -0.276 0.000 1.217 661 D CA 0.623 54.463 54.000 -0.268 0.000 0.897 661 D CB 0.780 41.434 40.800 -0.243 0.000 1.132 661 D HN 0.658 nan 8.370 nan 0.000 0.493 662 T N 0.431 114.788 114.554 -0.328 0.000 3.132 662 T HA 0.400 4.750 4.350 0.001 0.000 0.274 662 T C 0.861 175.329 174.700 -0.386 0.000 1.011 662 T CA -0.284 61.656 62.100 -0.267 0.000 0.899 662 T CB 0.773 69.513 68.868 -0.214 0.000 1.089 662 T HN 0.255 nan 8.240 nan 0.000 0.543 663 G N 1.214 109.675 108.800 -0.565 0.000 3.271 663 G HA2 0.507 4.467 3.960 0.001 0.000 0.174 663 G HA3 0.507 4.467 3.960 0.001 0.000 0.174 663 G C 0.780 174.761 174.900 -1.531 0.000 1.385 663 G CA -0.749 43.765 45.100 -0.977 0.000 0.979 663 G HN 0.265 nan 8.290 nan 0.000 0.610 664 L N 0.846 121.322 121.223 -1.245 0.000 2.189 664 L HA -0.063 4.278 4.340 0.001 0.000 0.214 664 L C 2.988 179.424 176.870 -0.725 0.000 1.097 664 L CA 1.212 55.321 54.840 -1.218 0.000 0.764 664 L CB -0.393 40.620 42.059 -1.745 0.000 0.900 664 L HN 0.585 nan 8.230 nan 0.000 0.436 665 G N -1.205 107.291 108.800 -0.507 0.000 2.408 665 G HA2 -0.297 3.664 3.960 0.001 0.000 0.217 665 G HA3 -0.297 3.664 3.960 0.001 0.000 0.217 665 G C 1.469 176.283 174.900 -0.144 0.000 1.150 665 G CA 0.625 45.620 45.100 -0.176 0.000 0.776 665 G HN 0.420 nan 8.290 nan 0.000 0.542 666 Q N -0.893 118.745 119.800 -0.270 0.000 2.049 666 Q HA -0.109 4.231 4.340 0.001 0.000 0.198 666 Q C 2.247 178.262 176.000 0.026 0.000 0.971 666 Q CA 0.977 56.706 55.803 -0.123 0.000 0.833 666 Q CB -0.224 28.425 28.738 -0.148 0.000 0.896 666 Q HN 0.502 nan 8.270 nan 0.000 0.434 667 Y N 0.555 120.799 120.300 -0.093 0.000 2.333 667 Y HA -0.112 4.438 4.550 0.001 0.000 0.290 667 Y C 2.575 178.485 175.900 0.018 0.000 1.144 667 Y CA 1.250 59.320 58.100 -0.049 0.000 1.228 667 Y CB -0.589 37.771 38.460 -0.166 0.000 0.985 667 Y HN 0.320 nan 8.280 nan 0.000 0.542 668 S N -1.658 114.135 115.700 0.154 0.000 2.512 668 S HA 0.084 4.555 4.470 0.001 0.000 0.216 668 S C 1.725 176.410 174.600 0.142 0.000 1.006 668 S CA -0.090 58.216 58.200 0.176 0.000 0.915 668 S CB 0.055 63.404 63.200 0.249 0.000 0.824 668 S HN 0.059 nan 8.310 nan 0.000 0.497 669 K N 2.209 122.675 120.400 0.109 0.000 2.173 669 K HA -0.105 4.215 4.320 0.001 0.000 0.207 669 K C 0.933 177.586 176.600 0.089 0.000 1.046 669 K CA 1.812 58.154 56.287 0.091 0.000 0.929 669 K CB -0.404 32.138 32.500 0.069 0.000 0.720 669 K HN 0.373 nan 8.250 nan 0.000 0.453 670 D N -0.333 120.127 120.400 0.099 0.000 2.363 670 D HA -0.097 4.544 4.640 0.001 0.000 0.220 670 D C -0.221 176.134 176.300 0.092 0.000 0.994 670 D CA 0.344 54.398 54.000 0.090 0.000 0.890 670 D CB -0.389 40.468 40.800 0.093 0.000 0.906 670 D HN 0.378 nan 8.370 nan 0.000 0.530 671 N N 1.312 120.074 118.700 0.102 0.000 2.705 671 N HA -0.194 4.546 4.740 0.001 0.000 0.255 671 N C -0.699 174.867 175.510 0.093 0.000 1.008 671 N CA 0.001 53.109 53.050 0.097 0.000 0.742 671 N CB -0.348 38.186 38.487 0.078 0.000 0.906 671 N HN 0.340 nan 8.380 nan 0.000 0.541 672 E N 0.147 120.411 120.200 0.107 0.000 2.392 672 E HA 0.105 4.456 4.350 0.001 0.000 0.256 672 E C 0.291 176.944 176.600 0.089 0.000 1.145 672 E CA -0.267 56.192 56.400 0.099 0.000 0.929 672 E CB 0.713 30.484 29.700 0.119 0.000 0.998 672 E HN 0.239 nan 8.360 nan 0.000 0.442 673 S N 0.550 116.297 115.700 0.078 0.000 2.564 673 S HA 0.107 4.578 4.470 0.001 0.000 0.278 673 S C 0.329 174.972 174.600 0.071 0.000 1.333 673 S CA -0.364 57.878 58.200 0.070 0.000 1.048 673 S CB 0.142 63.378 63.200 0.061 0.000 0.900 673 S HN 0.412 nan 8.310 nan 0.000 0.505 674 L N 3.126 124.391 121.223 0.070 0.000 3.066 674 L HA 0.356 4.696 4.340 0.001 0.000 0.265 674 L C -0.129 176.777 176.870 0.059 0.000 1.232 674 L CA -0.246 54.636 54.840 0.071 0.000 1.031 674 L CB 0.298 42.407 42.059 0.084 0.000 1.379 674 L HN 0.551 nan 8.230 nan 0.000 0.563 675 D N 1.295 121.727 120.400 0.053 0.000 2.316 675 D HA 0.052 4.693 4.640 0.001 0.000 0.245 675 D C 0.714 177.038 176.300 0.039 0.000 1.171 675 D CA 0.125 54.151 54.000 0.045 0.000 0.856 675 D CB 0.332 41.158 40.800 0.042 0.000 1.090 675 D HN 0.163 nan 8.370 nan 0.000 0.476 676 N N 2.679 121.400 118.700 0.034 0.000 2.686 676 N HA -0.252 4.489 4.740 0.001 0.000 0.261 676 N C -1.254 174.273 175.510 0.028 0.000 1.001 676 N CA 0.660 53.726 53.050 0.028 0.000 0.764 676 N CB -0.387 38.114 38.487 0.022 0.000 0.898 676 N HN 0.424 nan 8.380 nan 0.000 0.544 677 T N -0.460 114.114 114.554 0.034 0.000 2.816 677 T HA 0.116 4.467 4.350 0.001 0.000 0.299 677 T C -1.588 173.133 174.700 0.035 0.000 1.230 677 T CA -0.629 61.492 62.100 0.035 0.000 1.007 677 T CB 1.461 70.356 68.868 0.043 0.000 1.289 677 T HN 0.189 nan 8.240 nan 0.000 0.508 678 D N 1.666 122.085 120.400 0.032 0.000 2.349 678 D HA 0.453 5.093 4.640 0.001 0.000 0.266 678 D C -0.194 176.144 176.300 0.064 0.000 1.293 678 D CA 0.170 54.186 54.000 0.028 0.000 0.926 678 D CB 0.307 41.105 40.800 -0.003 0.000 1.090 678 D HN 0.710 nan 8.370 nan 0.000 0.502 679 A N 3.130 125.990 122.820 0.066 0.000 2.311 679 A HA 0.671 4.992 4.320 0.001 0.000 0.334 679 A C -0.795 176.848 177.584 0.098 0.000 1.139 679 A CA -0.658 51.435 52.037 0.094 0.000 0.830 679 A CB 1.605 20.660 19.000 0.092 0.000 1.234 679 A HN 0.345 nan 8.150 nan 0.000 0.483 680 V N 1.879 121.868 119.914 0.124 0.000 2.483 680 V HA 0.353 4.473 4.120 0.001 0.000 0.297 680 V C -0.437 175.693 176.094 0.061 0.000 1.027 680 V CA -0.516 61.805 62.300 0.035 0.000 0.855 680 V CB 1.493 33.312 31.823 -0.006 0.000 0.995 680 V HN 0.669 nan 8.190 nan 0.000 0.424 681 V N 4.231 124.128 119.914 -0.027 0.000 2.509 681 V HA 0.451 4.572 4.120 0.001 0.000 0.284 681 V C -0.898 175.199 176.094 0.005 0.000 1.047 681 V CA -0.401 61.959 62.300 0.099 0.000 0.952 681 V CB 1.410 33.285 31.823 0.086 0.000 0.988 681 V HN 0.897 nan 8.190 nan 0.000 0.469 682 W N 4.791 126.221 121.300 0.216 0.000 2.538 682 W HA 0.720 5.381 4.660 0.001 0.000 0.322 682 W C -0.298 176.404 176.519 0.305 0.000 1.028 682 W CA -0.668 56.816 57.345 0.232 0.000 1.228 682 W CB 1.128 30.692 29.460 0.173 0.000 1.356 682 W HN 0.276 nan 8.180 nan 0.000 0.452 683 M N 3.202 123.078 119.600 0.461 0.000 2.294 683 M HA 0.491 4.972 4.480 0.001 0.000 0.335 683 M C -0.289 176.283 176.300 0.454 0.000 1.079 683 M CA -0.306 55.231 55.300 0.394 0.000 0.982 683 M CB 1.907 34.665 32.600 0.263 0.000 1.651 683 M HN 0.231 nan 8.290 nan 0.000 0.437 684 T N 1.444 116.256 114.554 0.430 0.000 2.807 684 T HA 0.597 4.948 4.350 0.001 0.000 0.279 684 T C -0.471 174.442 174.700 0.356 0.000 0.993 684 T CA -0.441 61.909 62.100 0.416 0.000 0.970 684 T CB 1.836 70.977 68.868 0.455 0.000 0.950 684 T HN 0.727 nan 8.240 nan 0.000 0.441 685 T N 1.187 115.967 114.554 0.378 0.000 2.853 685 T HA 0.802 5.153 4.350 0.001 0.000 0.311 685 T C -0.853 174.079 174.700 0.387 0.000 1.307 685 T CA -0.076 62.246 62.100 0.370 0.000 1.019 685 T CB 1.551 70.667 68.868 0.413 0.000 1.264 685 T HN 0.993 nan 8.240 nan 0.000 0.497 686 G N 1.027 110.018 108.800 0.319 0.000 2.430 686 G HA2 0.592 4.553 3.960 0.001 0.000 0.300 686 G HA3 0.592 4.553 3.960 0.001 0.000 0.300 686 G C -0.839 174.193 174.900 0.219 0.000 1.330 686 G CA 0.032 45.299 45.100 0.279 0.000 0.813 686 G HN 1.064 nan 8.290 nan 0.000 0.487 687 T N -2.664 112.009 114.554 0.198 0.000 2.930 687 T HA 0.754 5.105 4.350 0.001 0.000 0.290 687 T C -0.684 174.042 174.700 0.043 0.000 1.052 687 T CA -0.699 61.497 62.100 0.160 0.000 1.017 687 T CB 2.123 71.152 68.868 0.268 0.000 1.137 687 T HN 0.539 nan 8.240 nan 0.000 0.511 688 T N 1.332 115.871 114.554 -0.026 0.000 2.809 688 T HA 0.322 4.673 4.350 0.001 0.000 0.296 688 T C -0.922 173.656 174.700 -0.204 0.000 1.015 688 T CA -0.436 61.590 62.100 -0.124 0.000 0.954 688 T CB -0.041 68.762 68.868 -0.109 0.000 0.950 688 T HN 0.785 nan 8.240 nan 0.000 0.450 689 H N 3.555 122.344 119.070 -0.468 0.000 2.741 689 H HA 0.515 5.072 4.556 0.001 0.000 0.282 689 H C -0.705 174.316 175.328 -0.513 0.000 1.122 689 H CA -0.665 54.996 56.048 -0.644 0.000 1.293 689 H CB 0.377 29.713 29.762 -0.710 0.000 1.415 689 H HN 0.278 nan 8.280 nan 0.000 0.472 690 V N 5.260 125.102 119.914 -0.120 0.000 2.350 690 V HA 0.325 4.446 4.120 0.001 0.000 0.276 690 V C 0.592 176.699 176.094 0.021 0.000 1.028 690 V CA -0.534 61.707 62.300 -0.098 0.000 0.860 690 V CB 0.711 32.479 31.823 -0.091 0.000 0.990 690 V HN 0.912 nan 8.190 nan 0.000 0.453 691 A N 6.621 129.414 122.820 -0.045 0.000 2.366 691 A HA 0.786 5.107 4.320 0.001 0.000 0.250 691 A C 0.361 177.979 177.584 0.056 0.000 1.099 691 A CA -0.182 51.878 52.037 0.038 0.000 0.794 691 A CB 0.429 19.395 19.000 -0.056 0.000 1.056 691 A HN 1.019 nan 8.150 nan 0.000 0.499 692 R N -1.282 119.280 120.500 0.103 0.000 2.710 692 R HA 0.625 4.966 4.340 0.001 0.000 0.270 692 R C 0.345 176.702 176.300 0.096 0.000 1.021 692 R CA -0.188 55.956 56.100 0.075 0.000 0.889 692 R CB 1.083 31.430 30.300 0.079 0.000 1.243 692 R HN 0.775 nan 8.270 nan 0.000 0.464 693 A N 1.139 124.002 122.820 0.072 0.000 1.978 693 A HA -0.173 4.148 4.320 0.001 0.000 0.220 693 A C 1.349 179.016 177.584 0.139 0.000 1.170 693 A CA 1.849 53.946 52.037 0.100 0.000 0.636 693 A CB -0.607 18.428 19.000 0.059 0.000 0.810 693 A HN 0.833 nan 8.150 nan 0.000 0.448 694 E N 0.243 120.508 120.200 0.109 0.000 2.401 694 E HA -0.110 4.240 4.350 0.001 0.000 0.199 694 E C 1.201 177.868 176.600 0.111 0.000 1.023 694 E CA 1.106 57.562 56.400 0.093 0.000 0.859 694 E CB -0.129 29.613 29.700 0.070 0.000 0.780 694 E HN 0.787 nan 8.360 nan 0.000 0.523 695 E N -0.854 119.446 120.200 0.167 0.000 2.465 695 E HA 0.052 4.402 4.350 0.001 0.000 0.195 695 E C -0.446 176.313 176.600 0.265 0.000 1.028 695 E CA -0.266 56.248 56.400 0.190 0.000 0.899 695 E CB 0.432 30.288 29.700 0.260 0.000 1.032 695 E HN 0.192 nan 8.360 nan 0.000 0.468 696 W N 1.751 123.062 121.300 0.017 0.000 2.957 696 W HA 0.242 4.902 4.660 0.001 0.000 0.336 696 W C -2.371 174.158 176.519 0.017 0.000 1.087 696 W CA -2.117 55.234 57.345 0.010 0.000 1.235 696 W CB 1.725 31.191 29.460 0.011 0.000 1.399 696 W HN -0.120 nan 8.180 nan 0.000 0.480 697 P HA 0.072 nan 4.420 nan 0.000 0.233 697 P C 0.036 176.957 177.300 -0.632 0.000 1.167 697 P CA 0.892 63.301 63.100 -1.152 0.000 0.770 697 P CB 1.377 32.554 31.700 -0.871 0.000 0.837 698 I N -0.623 119.767 120.570 -0.300 0.000 2.686 698 I HA 0.389 4.560 4.170 0.001 0.000 0.295 698 I C -0.734 175.302 176.117 -0.135 0.000 1.114 698 I CA -1.858 59.276 61.300 -0.277 0.000 1.038 698 I CB 2.642 40.469 38.000 -0.288 0.000 1.238 698 I HN -0.281 nan 8.210 nan 0.000 0.420 699 M N 9.359 128.885 119.600 -0.124 0.000 2.180 699 M HA 0.576 5.057 4.480 0.001 0.000 0.358 699 M C -2.483 173.749 176.300 -0.113 0.000 1.233 699 M CA -1.193 54.072 55.300 -0.058 0.000 1.114 699 M CB 1.100 33.699 32.600 -0.001 0.000 1.594 699 M HN 0.238 nan 8.290 nan 0.000 0.467 700 P HA 0.092 nan 4.420 nan 0.000 0.268 700 P C -0.933 176.262 177.300 -0.175 0.000 1.204 700 P CA 0.003 63.043 63.100 -0.101 0.000 0.768 700 P CB 0.409 32.073 31.700 -0.061 0.000 0.842 701 T N 3.728 118.165 114.554 -0.194 0.000 2.908 701 T HA 0.073 4.423 4.350 0.001 0.000 0.301 701 T C 0.219 174.699 174.700 -0.367 0.000 1.019 701 T CA 0.111 62.007 62.100 -0.340 0.000 1.152 701 T CB -0.007 68.660 68.868 -0.335 0.000 0.966 701 T HN 0.335 nan 8.240 nan 0.000 0.540 702 E N 2.055 121.932 120.200 -0.539 0.000 2.199 702 E HA 0.333 4.684 4.350 0.001 0.000 0.269 702 E C -0.999 175.283 176.600 -0.531 0.000 0.899 702 E CA -0.479 55.623 56.400 -0.498 0.000 0.772 702 E CB 1.855 31.062 29.700 -0.820 0.000 1.155 702 E HN 0.622 nan 8.360 nan 0.000 0.408 703 W N 1.385 122.522 121.300 -0.272 0.000 2.761 703 W HA 0.458 5.119 4.660 0.001 0.000 0.340 703 W C -0.278 175.976 176.519 -0.441 0.000 1.072 703 W CA -0.848 56.301 57.345 -0.326 0.000 1.215 703 W CB 1.685 30.976 29.460 -0.283 0.000 1.420 703 W HN 0.218 nan 8.180 nan 0.000 0.519 704 V N -0.061 119.740 119.914 -0.188 0.000 2.628 704 V HA 0.614 4.735 4.120 0.001 0.000 0.306 704 V C -0.690 175.187 176.094 -0.362 0.000 1.045 704 V CA -0.779 61.390 62.300 -0.218 0.000 0.905 704 V CB 1.538 33.399 31.823 0.064 0.000 0.997 704 V HN 0.598 nan 8.190 nan 0.000 0.436 705 H N 2.577 121.666 119.070 0.032 0.000 2.690 705 H HA 0.817 5.374 4.556 0.001 0.000 0.368 705 H C -0.193 175.077 175.328 -0.095 0.000 1.150 705 H CA 0.031 56.040 56.048 -0.064 0.000 1.174 705 H CB 2.334 32.031 29.762 -0.107 0.000 1.684 705 H HN 1.038 nan 8.280 nan 0.000 0.538 706 T N -0.026 114.506 114.554 -0.037 0.000 2.896 706 T HA 0.643 4.994 4.350 0.001 0.000 0.297 706 T C -1.056 173.550 174.700 -0.157 0.000 1.108 706 T CA -0.788 61.251 62.100 -0.103 0.000 1.004 706 T CB 1.946 70.727 68.868 -0.144 0.000 1.159 706 T HN 0.225 nan 8.240 nan 0.000 0.499 707 L N 0.688 121.825 121.223 -0.142 0.000 2.465 707 L HA 0.720 5.061 4.340 0.001 0.000 0.257 707 L C -1.653 175.159 176.870 -0.098 0.000 0.988 707 L CA -0.863 53.893 54.840 -0.140 0.000 0.827 707 L CB 2.318 44.313 42.059 -0.107 0.000 1.397 707 L HN 0.823 nan 8.230 nan 0.000 0.410 708 L N 2.989 124.175 121.223 -0.062 0.000 2.406 708 L HA 0.559 4.900 4.340 0.001 0.000 0.270 708 L C -0.795 176.168 176.870 0.156 0.000 0.982 708 L CA -0.612 54.277 54.840 0.081 0.000 0.843 708 L CB 1.542 43.653 42.059 0.087 0.000 1.225 708 L HN 0.452 nan 8.230 nan 0.000 0.412 709 K N 4.062 124.514 120.400 0.088 0.000 2.270 709 K HA 0.522 4.842 4.320 0.001 0.000 0.255 709 K C -2.602 173.726 176.600 -0.452 0.000 0.936 709 K CA -1.892 54.347 56.287 -0.080 0.000 0.809 709 K CB 2.044 34.536 32.500 -0.014 0.000 1.131 709 K HN 0.194 nan 8.250 nan 0.000 0.427 710 P HA -0.094 nan 4.420 nan 0.000 0.265 710 P C -0.989 176.163 177.300 -0.247 0.000 1.193 710 P CA 0.042 62.552 63.100 -0.983 0.000 0.765 710 P CB 0.476 31.915 31.700 -0.434 0.000 0.823 711 W N 5.493 126.620 121.300 -0.288 0.000 2.521 711 W HA 0.163 4.824 4.660 0.001 0.000 0.310 711 W C -0.446 176.045 176.519 -0.045 0.000 1.000 711 W CA -0.367 56.912 57.345 -0.110 0.000 1.353 711 W CB 0.098 29.508 29.460 -0.083 0.000 1.276 711 W HN 0.534 nan 8.180 nan 0.000 0.417 712 N N 3.486 122.113 118.700 -0.122 0.000 2.741 712 N HA -0.327 4.414 4.740 0.001 0.000 0.251 712 N C 0.385 175.887 175.510 -0.015 0.000 1.112 712 N CA 1.622 54.636 53.050 -0.060 0.000 0.750 712 N CB -1.980 36.504 38.487 -0.005 0.000 1.119 712 N HN 0.548 nan 8.380 nan 0.000 0.561 713 F N 0.015 119.836 119.950 -0.216 0.000 2.234 713 F HA 0.180 4.707 4.527 0.001 0.000 0.296 713 F C 0.791 176.242 175.800 -0.581 0.000 1.089 713 F CA 0.836 58.591 58.000 -0.408 0.000 1.343 713 F CB 0.184 38.825 39.000 -0.598 0.000 1.040 713 F HN -0.038 nan 8.300 nan 0.000 0.498 714 F N 0.267 120.224 119.950 0.011 0.000 2.461 714 F HA 0.265 4.792 4.527 0.001 0.000 0.332 714 F C 1.251 176.999 175.800 -0.087 0.000 1.073 714 F CA -0.852 57.112 58.000 -0.060 0.000 1.017 714 F CB 0.327 39.295 39.000 -0.054 0.000 1.301 714 F HN -0.279 nan 8.300 nan 0.000 0.492 715 D N -0.381 120.096 120.400 0.128 0.000 2.379 715 D HA 0.083 4.724 4.640 0.001 0.000 0.208 715 D C 0.030 176.334 176.300 0.006 0.000 1.065 715 D CA 0.541 54.557 54.000 0.027 0.000 0.848 715 D CB 0.423 41.227 40.800 0.007 0.000 0.949 715 D HN 0.743 nan 8.370 nan 0.000 0.509 716 E N -1.669 118.545 120.200 0.023 0.000 2.402 716 E HA 0.194 4.544 4.350 0.001 0.000 0.270 716 E C -1.147 175.415 176.600 -0.064 0.000 1.131 716 E CA -0.823 55.553 56.400 -0.038 0.000 0.884 716 E CB 0.232 29.905 29.700 -0.046 0.000 1.564 716 E HN -0.306 nan 8.360 nan 0.000 0.456 717 T N 2.753 117.246 114.554 -0.103 0.000 2.750 717 T HA 0.014 4.365 4.350 0.001 0.000 0.277 717 T C -1.797 172.822 174.700 -0.136 0.000 0.996 717 T CA -0.236 61.791 62.100 -0.121 0.000 1.195 717 T CB 0.073 68.841 68.868 -0.168 0.000 0.963 717 T HN 0.324 nan 8.240 nan 0.000 0.516 718 P HA -0.044 nan 4.420 nan 0.000 0.220 718 P C 1.430 178.620 177.300 -0.183 0.000 1.148 718 P CA 0.830 63.697 63.100 -0.389 0.000 0.803 718 P CB 0.046 31.314 31.700 -0.720 0.000 0.782 719 T N -4.549 109.980 114.554 -0.042 0.000 3.186 719 T HA 0.220 4.570 4.350 0.001 0.000 0.257 719 T C 1.431 176.190 174.700 0.097 0.000 1.029 719 T CA -0.201 61.916 62.100 0.029 0.000 0.916 719 T CB -1.027 67.882 68.868 0.067 0.000 1.041 719 T HN -0.047 nan 8.240 nan 0.000 0.562 720 L N 1.160 122.417 121.223 0.058 0.000 2.187 720 L HA 0.207 4.548 4.340 0.001 0.000 0.213 720 L C 1.605 178.504 176.870 0.049 0.000 1.100 720 L CA 1.348 56.228 54.840 0.066 0.000 0.765 720 L CB -0.848 41.199 42.059 -0.020 0.000 0.904 720 L HN 0.803 nan 8.230 nan 0.000 0.437 721 G N -1.731 107.076 108.800 0.012 0.000 2.440 721 G HA2 0.117 4.077 3.960 0.001 0.000 0.684 721 G HA3 0.117 4.077 3.960 0.001 0.000 0.684 721 G C -0.719 174.176 174.900 -0.009 0.000 1.309 721 G CA -0.631 44.470 45.100 0.001 0.000 0.931 721 G HN 0.305 nan 8.290 nan 0.000 0.612 722 A N -0.101 122.712 122.820 -0.012 0.000 2.450 722 A HA 0.608 4.929 4.320 0.001 0.000 0.255 722 A C 0.542 178.121 177.584 -0.008 0.000 1.096 722 A CA -0.030 52.000 52.037 -0.011 0.000 0.778 722 A CB 0.803 19.794 19.000 -0.014 0.000 1.031 722 A HN 1.923 nan 8.150 nan 0.000 0.494 723 L N 2.487 123.705 121.223 -0.008 0.000 2.477 723 L HA 0.121 4.461 4.340 0.001 0.000 0.272 723 L C 1.477 178.343 176.870 -0.007 0.000 1.157 723 L CA 0.661 55.496 54.840 -0.008 0.000 0.889 723 L CB 0.302 42.356 42.059 -0.008 0.000 1.158 723 L HN 0.880 nan 8.230 nan 0.000 0.473 724 K N 3.039 123.435 120.400 -0.007 0.000 2.167 724 K HA 0.011 4.331 4.320 0.001 0.000 0.203 724 K C 0.305 176.901 176.600 -0.007 0.000 1.052 724 K CA 1.013 57.296 56.287 -0.006 0.000 0.956 724 K CB 0.353 32.849 32.500 -0.005 0.000 0.735 724 K HN 0.573 nan 8.250 nan 0.000 0.451 725 K N 0.000 120.396 120.400 -0.007 0.000 2.780 725 K HA 0.000 4.321 4.320 0.001 0.000 0.191 725 K CA 0.000 56.283 56.287 -0.007 0.000 0.838 725 K CB 0.000 32.496 32.500 -0.007 0.000 1.064 725 K HN 0.000 nan 8.250 nan 0.000 0.543