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 2wof_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 D VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 H HA 0.000 nan 4.556 nan 0.000 0.296 6 H C 0.000 175.348 175.328 0.033 0.000 0.993 6 H CA 0.000 56.053 56.048 0.009 0.000 1.023 6 H CB 0.000 29.771 29.762 0.015 0.000 1.292 7 M N 3.321 122.850 119.600 -0.117 0.000 2.291 7 M HA 0.398 4.878 4.480 0.001 0.000 0.324 7 M C -0.148 176.122 176.300 -0.049 0.000 1.148 7 M CA -0.729 54.522 55.300 -0.083 0.000 1.104 7 M CB 1.568 34.162 32.600 -0.010 0.000 1.483 7 M HN 0.340 nan 8.290 nan 0.000 0.467 8 V N 3.095 123.075 119.914 0.110 0.000 3.049 8 V HA 0.635 4.755 4.120 0.001 0.000 0.309 8 V C -2.461 173.604 176.094 -0.048 0.000 1.148 8 V CA -2.014 60.347 62.300 0.103 0.000 0.990 8 V CB 3.075 34.827 31.823 -0.118 0.000 1.039 8 V HN 0.670 nan 8.190 nan 0.000 0.430 9 P HA 0.159 nan 4.420 nan 0.000 0.276 9 P C 0.537 177.486 177.300 -0.585 0.000 1.243 9 P CA 0.075 62.566 63.100 -1.014 0.000 0.768 9 P CB 0.989 32.132 31.700 -0.928 0.000 0.856 10 M N 2.538 121.768 119.600 -0.616 0.000 2.077 10 M HA -0.157 4.324 4.480 0.001 0.000 0.261 10 M C 1.612 177.688 176.300 -0.373 0.000 1.070 10 M CA 1.870 56.868 55.300 -0.504 0.000 1.125 10 M CB -0.461 31.760 32.600 -0.632 0.000 1.339 10 M HN 0.398 nan 8.290 nan 0.000 0.409 11 D N 0.111 120.303 120.400 -0.347 0.000 2.078 11 D HA -0.219 4.422 4.640 0.001 0.000 0.193 11 D C 1.900 178.106 176.300 -0.158 0.000 0.990 11 D CA 1.396 55.271 54.000 -0.209 0.000 0.827 11 D CB -0.094 40.604 40.800 -0.170 0.000 0.975 11 D HN 0.311 nan 8.370 nan 0.000 0.451 12 K N -0.095 120.194 120.400 -0.186 0.000 2.032 12 K HA -0.134 4.187 4.320 0.001 0.000 0.209 12 K C 2.046 178.586 176.600 -0.100 0.000 1.048 12 K CA 1.704 57.912 56.287 -0.131 0.000 0.927 12 K CB -0.068 32.342 32.500 -0.150 0.000 0.712 12 K HN 0.073 nan 8.250 nan 0.000 0.441 13 T N 1.846 116.320 114.554 -0.132 0.000 2.746 13 T HA -0.120 4.230 4.350 0.001 0.000 0.267 13 T C 1.839 176.521 174.700 -0.029 0.000 1.039 13 T CA 1.169 63.217 62.100 -0.086 0.000 1.142 13 T CB -0.101 68.692 68.868 -0.124 0.000 0.866 13 T HN 0.162 nan 8.240 nan 0.000 0.444 14 L N -0.040 121.158 121.223 -0.042 0.000 2.109 14 L HA -0.047 4.294 4.340 0.001 0.000 0.207 14 L C 2.667 179.575 176.870 0.064 0.000 1.086 14 L CA 0.973 55.839 54.840 0.043 0.000 0.760 14 L CB -0.315 41.755 42.059 0.018 0.000 0.910 14 L HN 0.087 nan 8.230 nan 0.000 0.437 15 K N 0.573 120.977 120.400 0.007 0.000 2.020 15 K HA -0.214 4.107 4.320 0.001 0.000 0.212 15 K C 1.957 178.559 176.600 0.003 0.000 1.050 15 K CA 1.534 57.819 56.287 -0.003 0.000 0.929 15 K CB -0.292 32.196 32.500 -0.019 0.000 0.714 15 K HN 0.230 nan 8.250 nan 0.000 0.443 16 E N -1.120 119.090 120.200 0.016 0.000 2.153 16 E HA -0.157 4.193 4.350 0.001 0.000 0.194 16 E C 1.591 178.225 176.600 0.058 0.000 0.988 16 E CA 0.843 57.258 56.400 0.024 0.000 0.811 16 E CB -0.161 29.551 29.700 0.020 0.000 0.746 16 E HN 0.265 nan 8.360 nan 0.000 0.466 17 F N 0.031 119.925 119.950 -0.093 0.000 2.502 17 F HA 0.090 4.617 4.527 0.001 0.000 0.298 17 F C 1.319 177.037 175.800 -0.137 0.000 1.111 17 F CA 1.346 59.270 58.000 -0.126 0.000 1.445 17 F CB 0.313 39.208 39.000 -0.175 0.000 1.081 17 F HN 0.040 nan 8.300 nan 0.000 0.558 18 G N 0.533 109.216 108.800 -0.195 0.000 2.130 18 G HA2 -0.037 3.924 3.960 0.001 0.000 0.216 18 G HA3 -0.037 3.924 3.960 0.001 0.000 0.216 18 G C 0.165 174.910 174.900 -0.258 0.000 0.999 18 G CA -0.021 44.929 45.100 -0.250 0.000 0.686 18 G HN 0.848 nan 8.290 nan 0.000 0.515 19 A N -0.302 122.414 122.820 -0.174 0.000 2.304 19 A HA 0.671 4.992 4.320 0.001 0.000 0.301 19 A C 0.080 177.670 177.584 0.009 0.000 1.132 19 A CA 0.251 52.239 52.037 -0.080 0.000 0.819 19 A CB 0.742 19.739 19.000 -0.004 0.000 1.094 19 A HN 0.514 nan 8.150 nan 0.000 0.492 20 D N 0.854 121.280 120.400 0.043 0.000 2.351 20 D HA 0.398 5.039 4.640 0.001 0.000 0.251 20 D C -0.688 175.674 176.300 0.102 0.000 1.137 20 D CA 0.363 54.401 54.000 0.064 0.000 0.879 20 D CB 0.769 41.608 40.800 0.065 0.000 1.181 20 D HN 0.170 nan 8.370 nan 0.000 0.448 21 V N 4.097 124.076 119.914 0.108 0.000 2.378 21 V HA 0.366 4.487 4.120 0.001 0.000 0.288 21 V C -0.268 175.951 176.094 0.210 0.000 1.016 21 V CA -0.763 61.636 62.300 0.166 0.000 0.840 21 V CB 1.188 33.093 31.823 0.137 0.000 0.994 21 V HN 0.504 nan 8.190 nan 0.000 0.431 22 Q N 3.935 123.885 119.800 0.250 0.000 2.333 22 Q HA 0.416 4.756 4.340 0.001 0.000 0.267 22 Q C -1.283 174.897 176.000 0.299 0.000 1.012 22 Q CA -0.294 55.641 55.803 0.220 0.000 0.824 22 Q CB 2.145 30.957 28.738 0.123 0.000 1.290 22 Q HN 0.834 nan 8.270 nan 0.000 0.449 23 W N 4.803 126.102 121.300 -0.001 0.000 2.478 23 W HA 0.453 5.114 4.660 0.001 0.000 0.318 23 W C -1.189 175.231 176.519 -0.164 0.000 1.062 23 W CA -0.642 56.558 57.345 -0.241 0.000 1.210 23 W CB 1.546 30.817 29.460 -0.316 0.000 1.325 23 W HN 0.570 nan 8.180 nan 0.000 0.496 24 D N 4.400 124.246 120.400 -0.924 0.000 2.453 24 D HA 0.059 4.699 4.640 0.001 0.000 0.238 24 D C 0.398 175.951 176.300 -1.244 0.000 1.088 24 D CA -0.096 53.436 54.000 -0.780 0.000 0.854 24 D CB 1.293 41.852 40.800 -0.402 0.000 1.076 24 D HN 0.485 nan 8.370 nan 0.000 0.533 25 D N 2.190 122.023 120.400 -0.945 0.000 2.178 25 D HA -0.221 4.420 4.640 0.001 0.000 0.202 25 D C 1.427 177.538 176.300 -0.316 0.000 0.974 25 D CA 1.026 54.651 54.000 -0.624 0.000 0.841 25 D CB 0.055 40.782 40.800 -0.123 0.000 0.953 25 D HN 0.528 nan 8.370 nan 0.000 0.478 26 Y N 0.280 120.380 120.300 -0.333 0.000 2.243 26 Y HA 0.117 4.668 4.550 0.001 0.000 0.293 26 Y C 1.894 177.666 175.900 -0.213 0.000 1.124 26 Y CA 1.541 59.520 58.100 -0.203 0.000 1.159 26 Y CB -0.273 38.096 38.460 -0.152 0.000 1.008 26 Y HN -0.015 nan 8.280 nan 0.000 0.527 27 A N -0.620 122.031 122.820 -0.281 0.000 2.218 27 A HA 0.073 4.394 4.320 0.001 0.000 0.209 27 A C 0.618 177.996 177.584 -0.343 0.000 1.168 27 A CA 0.421 52.270 52.037 -0.314 0.000 0.804 27 A CB -0.190 18.712 19.000 -0.164 0.000 0.834 27 A HN 0.496 nan 8.150 nan 0.000 0.482 28 Q N -1.827 117.667 119.800 -0.509 0.000 2.452 28 Q HA -0.206 4.135 4.340 0.001 0.000 0.318 28 Q C -0.849 174.932 176.000 -0.366 0.000 1.386 28 Q CA 0.917 56.423 55.803 -0.494 0.000 0.872 28 Q CB -1.875 26.809 28.738 -0.091 0.000 1.151 28 Q HN 0.575 nan 8.270 nan 0.000 0.417 29 L N -0.019 120.835 121.223 -0.615 0.000 2.470 29 L HA 0.599 4.939 4.340 0.001 0.000 0.268 29 L C -1.040 175.733 176.870 -0.161 0.000 0.964 29 L CA -0.506 54.217 54.840 -0.196 0.000 0.839 29 L CB 1.271 43.252 42.059 -0.129 0.000 1.276 29 L HN 0.037 nan 8.230 nan 0.000 0.403 30 F N 2.539 122.623 119.950 0.222 0.000 2.396 30 F HA 0.561 5.088 4.527 0.001 0.000 0.343 30 F C 0.669 176.522 175.800 0.088 0.000 1.104 30 F CA 0.004 58.140 58.000 0.227 0.000 1.161 30 F CB 1.678 40.824 39.000 0.243 0.000 1.146 30 F HN 0.387 nan 8.300 nan 0.000 0.522 31 T N 5.570 120.276 114.554 0.253 0.000 2.786 31 T HA 0.624 4.975 4.350 0.001 0.000 0.283 31 T C -0.520 174.224 174.700 0.073 0.000 0.992 31 T CA -0.578 61.549 62.100 0.046 0.000 0.954 31 T CB 0.540 69.383 68.868 -0.043 0.000 0.934 31 T HN 0.286 nan 8.240 nan 0.000 0.440 32 L N 4.489 125.723 121.223 0.017 0.000 2.356 32 L HA 0.671 5.011 4.340 0.001 0.000 0.277 32 L C -0.646 176.284 176.870 0.100 0.000 0.996 32 L CA -0.928 53.997 54.840 0.142 0.000 0.822 32 L CB 1.682 43.926 42.059 0.308 0.000 1.256 32 L HN 0.504 nan 8.230 nan 0.000 0.413 33 I N 3.470 124.130 120.570 0.150 0.000 2.466 33 I HA 0.456 4.627 4.170 0.001 0.000 0.289 33 I C -0.493 175.745 176.117 0.200 0.000 1.026 33 I CA -0.531 60.873 61.300 0.173 0.000 1.078 33 I CB 2.134 40.214 38.000 0.133 0.000 1.249 33 I HN 0.547 nan 8.210 nan 0.000 0.429 34 K N 6.235 126.793 120.400 0.263 0.000 2.652 34 K HA 0.274 4.594 4.320 0.001 0.000 0.249 34 K C -1.081 175.620 176.600 0.169 0.000 0.986 34 K CA -0.346 56.006 56.287 0.109 0.000 0.867 34 K CB 1.121 33.551 32.500 -0.118 0.000 1.201 34 K HN 0.712 nan 8.250 nan 0.000 0.450 35 D N 1.789 122.270 120.400 0.136 0.000 3.639 35 D HA -0.235 4.406 4.640 0.001 0.000 0.162 35 D C 0.955 177.389 176.300 0.223 0.000 1.054 35 D CA 1.891 56.005 54.000 0.190 0.000 1.085 35 D CB -0.934 39.994 40.800 0.214 0.000 0.547 35 D HN 0.765 nan 8.370 nan 0.000 0.595 36 G N 0.337 109.288 108.800 0.251 0.000 2.708 36 G HA2 0.289 4.250 3.960 0.001 0.000 0.210 36 G HA3 0.289 4.250 3.960 0.001 0.000 0.210 36 G C 0.399 175.413 174.900 0.190 0.000 1.141 36 G CA 1.231 46.441 45.100 0.185 0.000 0.788 36 G HN 0.646 nan 8.290 nan 0.000 0.531 37 A N -0.152 122.820 122.820 0.252 0.000 2.276 37 A HA 0.641 4.962 4.320 0.001 0.000 0.316 37 A C -1.588 176.156 177.584 0.266 0.000 1.229 37 A CA -0.708 51.471 52.037 0.236 0.000 0.851 37 A CB 0.792 19.975 19.000 0.305 0.000 1.165 37 A HN 0.273 nan 8.150 nan 0.000 0.513 38 Y N 3.054 123.397 120.300 0.073 0.000 2.376 38 Y HA 0.540 5.091 4.550 0.001 0.000 0.326 38 Y C -1.097 174.821 175.900 0.029 0.000 0.970 38 Y CA -0.574 57.570 58.100 0.073 0.000 1.248 38 Y CB 1.505 40.001 38.460 0.061 0.000 1.117 38 Y HN 0.456 nan 8.280 nan 0.000 0.476 39 V N 6.450 126.236 119.914 -0.213 0.000 2.540 39 V HA 0.496 4.617 4.120 0.001 0.000 0.302 39 V C -0.871 175.149 176.094 -0.123 0.000 1.035 39 V CA -1.163 61.051 62.300 -0.143 0.000 0.873 39 V CB 1.890 33.590 31.823 -0.206 0.000 0.992 39 V HN 0.596 nan 8.190 nan 0.000 0.428 40 K N 3.218 123.608 120.400 -0.018 0.000 2.292 40 K HA 0.816 5.137 4.320 0.001 0.000 0.257 40 K C -1.436 175.228 176.600 0.106 0.000 0.940 40 K CA -0.739 55.580 56.287 0.053 0.000 0.811 40 K CB 2.751 35.294 32.500 0.071 0.000 1.120 40 K HN 0.423 nan 8.250 nan 0.000 0.428 41 V N 2.906 122.936 119.914 0.194 0.000 2.777 41 V HA 0.326 4.447 4.120 0.001 0.000 0.306 41 V C -1.602 174.680 176.094 0.313 0.000 1.112 41 V CA -0.784 61.656 62.300 0.234 0.000 0.917 41 V CB 1.955 33.941 31.823 0.272 0.000 1.018 41 V HN 0.685 nan 8.190 nan 0.000 0.426 42 K N 6.695 127.235 120.400 0.235 0.000 2.138 42 K HA 0.586 4.906 4.320 0.001 0.000 0.263 42 K C -2.675 174.075 176.600 0.250 0.000 0.965 42 K CA -1.795 54.632 56.287 0.234 0.000 0.868 42 K CB 1.782 34.360 32.500 0.130 0.000 1.083 42 K HN 0.445 nan 8.250 nan 0.000 0.443 43 P HA -0.053 nan 4.420 nan 0.000 0.267 43 P C 0.499 177.886 177.300 0.145 0.000 1.200 43 P CA 0.656 63.889 63.100 0.222 0.000 0.772 43 P CB 0.509 32.345 31.700 0.226 0.000 0.855 44 G N 1.260 110.127 108.800 0.111 0.000 2.200 44 G HA2 -0.229 3.731 3.960 0.001 0.000 0.267 44 G HA3 -0.229 3.731 3.960 0.001 0.000 0.267 44 G C 0.487 175.434 174.900 0.077 0.000 0.993 44 G CA 0.297 45.446 45.100 0.081 0.000 0.701 44 G HN 0.858 nan 8.290 nan 0.000 0.524 45 A N -0.898 121.978 122.820 0.094 0.000 2.302 45 A HA 0.734 5.055 4.320 0.001 0.000 0.285 45 A C 1.025 178.654 177.584 0.075 0.000 1.105 45 A CA 0.194 52.278 52.037 0.079 0.000 0.816 45 A CB 0.566 19.617 19.000 0.084 0.000 1.067 45 A HN 0.309 nan 8.150 nan 0.000 0.489 46 Q N -0.265 119.568 119.800 0.057 0.000 2.282 46 Q HA 0.079 4.419 4.340 0.001 0.000 0.206 46 Q C 0.149 176.174 176.000 0.042 0.000 0.878 46 Q CA 0.690 56.523 55.803 0.049 0.000 0.944 46 Q CB 0.526 29.286 28.738 0.036 0.000 1.100 46 Q HN 0.919 nan 8.270 nan 0.000 0.509 47 T N -2.803 111.777 114.554 0.044 0.000 2.907 47 T HA 0.794 5.144 4.350 0.001 0.000 0.292 47 T C -0.670 174.057 174.700 0.046 0.000 1.043 47 T CA -0.713 61.407 62.100 0.033 0.000 1.003 47 T CB 2.357 71.237 68.868 0.020 0.000 1.084 47 T HN 0.052 nan 8.240 nan 0.000 0.483 48 A N 2.242 125.076 122.820 0.024 0.000 2.346 48 A HA 0.833 5.154 4.320 0.001 0.000 0.313 48 A C -0.679 176.904 177.584 -0.003 0.000 1.140 48 A CA -1.038 51.012 52.037 0.022 0.000 0.826 48 A CB 0.949 19.942 19.000 -0.012 0.000 1.332 48 A HN 0.807 nan 8.150 nan 0.000 0.457 49 I N 1.429 122.002 120.570 0.004 0.000 2.389 49 I HA 0.390 4.560 4.170 0.001 0.000 0.288 49 I C -0.792 175.317 176.117 -0.013 0.000 0.999 49 I CA -0.483 60.822 61.300 0.009 0.000 1.129 49 I CB 1.047 39.074 38.000 0.045 0.000 1.288 49 I HN 0.225 nan 8.210 nan 0.000 0.444 50 V N 6.782 126.680 119.914 -0.027 0.000 2.350 50 V HA 0.356 4.476 4.120 0.001 0.000 0.285 50 V C 0.099 176.203 176.094 0.017 0.000 1.014 50 V CA -0.691 61.586 62.300 -0.038 0.000 0.831 50 V CB 1.038 32.797 31.823 -0.107 0.000 1.000 50 V HN 0.817 nan 8.190 nan 0.000 0.433 51 N N 4.148 122.894 118.700 0.076 0.000 2.727 51 N HA -0.204 4.537 4.740 0.001 0.000 0.249 51 N C 1.145 176.682 175.510 0.044 0.000 1.048 51 N CA 1.749 54.844 53.050 0.076 0.000 0.714 51 N CB -1.135 37.380 38.487 0.046 0.000 0.959 51 N HN 1.489 nan 8.380 nan 0.000 0.544 52 G N -2.289 106.546 108.800 0.058 0.000 2.176 52 G HA2 -0.302 3.658 3.960 0.001 0.000 0.253 52 G HA3 -0.302 3.658 3.960 0.001 0.000 0.253 52 G C -0.312 174.602 174.900 0.023 0.000 0.979 52 G CA 0.405 45.527 45.100 0.036 0.000 0.641 52 G HN 0.437 nan 8.290 nan 0.000 0.530 53 Q N 0.646 120.455 119.800 0.016 0.000 2.337 53 Q HA 0.501 4.842 4.340 0.001 0.000 0.266 53 Q C -2.674 173.324 176.000 -0.003 0.000 1.023 53 Q CA -1.849 53.956 55.803 0.004 0.000 0.829 53 Q CB 2.979 31.715 28.738 -0.002 0.000 1.306 53 Q HN 0.299 nan 8.270 nan 0.000 0.449 54 P HA 0.333 nan 4.420 nan 0.000 0.282 54 P C -0.926 176.363 177.300 -0.018 0.000 1.249 54 P CA -0.620 62.476 63.100 -0.006 0.000 0.806 54 P CB 0.962 32.663 31.700 0.001 0.000 0.984 55 L N 1.940 123.147 121.223 -0.027 0.000 2.438 55 L HA 0.660 5.001 4.340 0.001 0.000 0.270 55 L C -0.691 176.162 176.870 -0.029 0.000 0.972 55 L CA -0.876 53.939 54.840 -0.042 0.000 0.831 55 L CB 1.592 43.601 42.059 -0.082 0.000 1.273 55 L HN 0.443 nan 8.230 nan 0.000 0.405 56 A N 5.866 128.673 122.820 -0.021 0.000 2.450 56 A HA 0.591 4.911 4.320 0.001 0.000 0.255 56 A C -0.715 176.863 177.584 -0.010 0.000 1.096 56 A CA -0.095 51.938 52.037 -0.007 0.000 0.778 56 A CB -0.217 18.781 19.000 -0.004 0.000 1.031 56 A HN 0.716 nan 8.150 nan 0.000 0.494 57 L N 2.646 123.876 121.223 0.012 0.000 2.296 57 L HA 0.318 4.659 4.340 0.001 0.000 0.286 57 L C 1.516 178.408 176.870 0.037 0.000 1.023 57 L CA -0.455 54.402 54.840 0.029 0.000 0.812 57 L CB 1.444 43.547 42.059 0.074 0.000 1.223 57 L HN 1.036 nan 8.230 nan 0.000 0.421 58 Q N 2.333 122.153 119.800 0.033 0.000 2.020 58 Q HA -0.056 4.284 4.340 0.001 0.000 0.202 58 Q C 0.116 176.142 176.000 0.043 0.000 0.982 58 Q CA 1.220 57.042 55.803 0.032 0.000 0.838 58 Q CB 0.385 29.139 28.738 0.026 0.000 0.899 58 Q HN 0.521 nan 8.270 nan 0.000 0.423 59 V N 3.822 123.772 119.914 0.060 0.000 2.318 59 V HA 0.295 4.416 4.120 0.001 0.000 0.271 59 V C -2.184 173.966 176.094 0.094 0.000 1.030 59 V CA -1.535 60.805 62.300 0.067 0.000 0.844 59 V CB 0.838 32.701 31.823 0.067 0.000 1.015 59 V HN 0.302 nan 8.190 nan 0.000 0.460 60 P HA 0.194 nan 4.420 nan 0.000 0.274 60 P C -0.234 177.108 177.300 0.071 0.000 1.237 60 P CA -0.299 62.856 63.100 0.092 0.000 0.793 60 P CB 0.556 32.300 31.700 0.074 0.000 0.977 61 V N 2.140 122.096 119.914 0.070 0.000 2.599 61 V HA 0.021 4.141 4.120 0.001 0.000 0.300 61 V C 0.418 176.538 176.094 0.044 0.000 1.034 61 V CA 0.299 62.590 62.300 -0.016 0.000 1.115 61 V CB 0.487 32.289 31.823 -0.035 0.000 0.934 61 V HN 0.204 nan 8.190 nan 0.000 0.485 62 V N 6.530 126.468 119.914 0.039 0.000 2.459 62 V HA 0.469 4.590 4.120 0.001 0.000 0.295 62 V C -0.007 176.160 176.094 0.121 0.000 1.029 62 V CA -0.643 61.703 62.300 0.078 0.000 0.874 62 V CB 1.585 33.448 31.823 0.068 0.000 0.985 62 V HN 0.809 nan 8.190 nan 0.000 0.438 63 M N 5.343 125.000 119.600 0.096 0.000 2.205 63 M HA 0.522 5.002 4.480 0.001 0.000 0.344 63 M C -0.662 175.687 176.300 0.082 0.000 1.085 63 M CA -0.477 54.870 55.300 0.079 0.000 1.001 63 M CB 0.916 33.537 32.600 0.035 0.000 1.626 63 M HN 0.536 nan 8.290 nan 0.000 0.442 64 K N 3.660 124.133 120.400 0.121 0.000 2.668 64 K HA 0.276 4.597 4.320 0.001 0.000 0.246 64 K C -1.286 175.366 176.600 0.086 0.000 0.976 64 K CA -0.579 55.757 56.287 0.082 0.000 0.902 64 K CB 1.175 33.698 32.500 0.039 0.000 1.172 64 K HN 0.697 nan 8.250 nan 0.000 0.452 65 D N 3.255 123.681 120.400 0.043 0.000 2.737 65 D HA -0.185 4.455 4.640 0.001 0.000 0.238 65 D C -0.448 175.866 176.300 0.024 0.000 1.157 65 D CA 0.878 54.899 54.000 0.034 0.000 0.694 65 D CB -0.854 39.969 40.800 0.039 0.000 1.021 65 D HN 0.830 nan 8.370 nan 0.000 0.420 66 N N -1.458 117.240 118.700 -0.004 0.000 2.741 66 N HA -0.246 4.495 4.740 0.001 0.000 0.251 66 N C 0.049 175.504 175.510 -0.091 0.000 1.112 66 N CA 1.380 54.395 53.050 -0.058 0.000 0.750 66 N CB -0.770 37.697 38.487 -0.033 0.000 1.119 66 N HN 0.625 nan 8.380 nan 0.000 0.561 67 K N 0.218 120.602 120.400 -0.027 0.000 2.471 67 K HA 0.662 4.983 4.320 0.001 0.000 0.252 67 K C -0.839 175.747 176.600 -0.023 0.000 0.938 67 K CA -0.361 55.897 56.287 -0.048 0.000 0.796 67 K CB 1.705 34.226 32.500 0.035 0.000 1.161 67 K HN 0.128 nan 8.250 nan 0.000 0.425 68 A N 3.628 126.328 122.820 -0.199 0.000 2.310 68 A HA 0.589 4.910 4.320 0.001 0.000 0.299 68 A C -1.590 175.721 177.584 -0.455 0.000 1.147 68 A CA -0.383 51.550 52.037 -0.173 0.000 0.818 68 A CB 0.209 19.108 19.000 -0.168 0.000 1.096 68 A HN 0.688 nan 8.150 nan 0.000 0.495 69 W N 0.709 121.886 121.300 -0.205 0.000 2.915 69 W HA 0.548 5.209 4.660 0.001 0.000 0.337 69 W C -0.460 175.888 176.519 -0.284 0.000 1.102 69 W CA -0.507 56.706 57.345 -0.220 0.000 1.224 69 W CB 2.050 31.419 29.460 -0.152 0.000 1.416 69 W HN 0.704 nan 8.180 nan 0.000 0.503 70 V N -0.182 119.651 119.914 -0.136 0.000 3.040 70 V HA 0.771 4.891 4.120 0.001 0.000 0.312 70 V C 0.269 176.309 176.094 -0.089 0.000 1.115 70 V CA -1.280 60.872 62.300 -0.246 0.000 0.998 70 V CB 0.941 32.348 31.823 -0.694 0.000 1.042 70 V HN 0.617 nan 8.190 nan 0.000 0.433 71 S N 0.840 116.529 115.700 -0.018 0.000 2.572 71 S HA 0.024 4.494 4.470 0.001 0.000 0.267 71 S C 0.766 175.364 174.600 -0.004 0.000 1.361 71 S CA 0.631 58.834 58.200 0.007 0.000 1.009 71 S CB 0.545 63.785 63.200 0.067 0.000 0.888 71 S HN 1.212 nan 8.310 nan 0.000 0.553 72 D N -0.058 120.315 120.400 -0.044 0.000 2.363 72 D HA -0.055 4.586 4.640 0.001 0.000 0.226 72 D C 1.335 177.658 176.300 0.038 0.000 1.020 72 D CA 0.930 54.915 54.000 -0.025 0.000 0.892 72 D CB -0.735 40.048 40.800 -0.027 0.000 0.900 72 D HN 0.676 nan 8.370 nan 0.000 0.531 73 T N -4.125 110.467 114.554 0.062 0.000 3.054 73 T HA 0.097 4.447 4.350 0.001 0.000 0.255 73 T C 1.476 176.215 174.700 0.065 0.000 1.035 73 T CA -0.570 61.559 62.100 0.048 0.000 0.941 73 T CB -0.834 68.057 68.868 0.038 0.000 1.026 73 T HN 0.046 nan 8.240 nan 0.000 0.533 74 F N 2.282 122.200 119.950 -0.052 0.000 2.091 74 F HA 0.001 4.528 4.527 0.001 0.000 0.299 74 F C 1.756 177.532 175.800 -0.040 0.000 1.103 74 F CA 1.355 59.327 58.000 -0.047 0.000 1.228 74 F CB -0.320 38.647 39.000 -0.055 0.000 0.984 74 F HN 0.115 nan 8.300 nan 0.000 0.477 75 I N 0.232 120.860 120.570 0.096 0.000 2.179 75 I HA -0.336 3.834 4.170 0.001 0.000 0.242 75 I C 2.233 178.277 176.117 -0.123 0.000 1.088 75 I CA 1.863 63.115 61.300 -0.079 0.000 1.357 75 I CB -0.618 37.148 38.000 -0.390 0.000 1.051 75 I HN 0.267 nan 8.210 nan 0.000 0.409 76 N N 0.941 119.572 118.700 -0.115 0.000 2.084 76 N HA -0.229 4.512 4.740 0.001 0.000 0.190 76 N C 1.503 176.973 175.510 -0.067 0.000 1.030 76 N CA 1.731 54.742 53.050 -0.066 0.000 0.849 76 N CB -0.029 38.433 38.487 -0.042 0.000 1.012 76 N HN 0.154 nan 8.380 nan 0.000 0.423 77 D N -0.706 119.630 120.400 -0.107 0.000 2.149 77 D HA -0.111 4.529 4.640 0.001 0.000 0.198 77 D C 1.862 178.037 176.300 -0.208 0.000 0.990 77 D CA 0.885 54.803 54.000 -0.136 0.000 0.839 77 D CB -0.180 40.530 40.800 -0.150 0.000 0.948 77 D HN 0.167 nan 8.370 nan 0.000 0.460 78 V N -0.322 119.386 119.914 -0.343 0.000 2.403 78 V HA -0.075 4.045 4.120 0.001 0.000 0.239 78 V C 1.978 177.838 176.094 -0.390 0.000 1.041 78 V CA 0.848 62.855 62.300 -0.488 0.000 1.051 78 V CB -0.485 30.800 31.823 -0.897 0.000 0.704 78 V HN 0.033 nan 8.190 nan 0.000 0.472 79 F N 0.140 119.998 119.950 -0.152 0.000 2.325 79 F HA -0.066 4.462 4.527 0.001 0.000 0.299 79 F C 2.184 177.994 175.800 0.016 0.000 1.090 79 F CA 1.056 59.053 58.000 -0.004 0.000 1.392 79 F CB -0.156 38.924 39.000 0.134 0.000 1.053 79 F HN 0.167 nan 8.300 nan 0.000 0.521 80 Q N -0.469 119.399 119.800 0.113 0.000 2.201 80 Q HA 0.048 4.388 4.340 0.001 0.000 0.217 80 Q C 1.872 177.888 176.000 0.026 0.000 0.860 80 Q CA 0.217 56.068 55.803 0.081 0.000 0.984 80 Q CB 0.217 28.991 28.738 0.059 0.000 1.095 80 Q HN 0.317 nan 8.270 nan 0.000 0.477 81 S N -1.616 114.077 115.700 -0.011 0.000 2.406 81 S HA 0.039 4.510 4.470 0.001 0.000 0.228 81 S C 1.678 176.274 174.600 -0.008 0.000 1.020 81 S CA 0.853 59.033 58.200 -0.033 0.000 0.965 81 S CB 0.066 63.220 63.200 -0.077 0.000 0.798 81 S HN 0.496 nan 8.310 nan 0.000 0.488 82 G N 0.976 109.784 108.800 0.013 0.000 2.238 82 G HA2 -0.216 3.744 3.960 0.001 0.000 0.217 82 G HA3 -0.216 3.744 3.960 0.001 0.000 0.217 82 G C 0.680 175.590 174.900 0.017 0.000 0.996 82 G CA 0.179 45.293 45.100 0.023 0.000 0.632 82 G HN 0.478 nan 8.290 nan 0.000 0.503 83 L N 0.999 122.220 121.223 -0.002 0.000 2.376 83 L HA 0.167 4.508 4.340 0.001 0.000 0.219 83 L C 1.095 177.974 176.870 0.014 0.000 1.133 83 L CA 0.895 55.733 54.840 -0.003 0.000 0.816 83 L CB -0.096 41.948 42.059 -0.025 0.000 0.933 83 L HN 0.253 nan 8.230 nan 0.000 0.449 84 D N 0.622 121.042 120.400 0.033 0.000 2.365 84 D HA 0.029 4.669 4.640 0.001 0.000 0.237 84 D C 0.569 176.922 176.300 0.088 0.000 1.190 84 D CA 0.092 54.136 54.000 0.072 0.000 0.867 84 D CB 0.904 41.776 40.800 0.119 0.000 1.050 84 D HN 0.161 nan 8.370 nan 0.000 0.491 85 Q N 2.186 122.020 119.800 0.058 0.000 2.246 85 Q HA 0.043 4.383 4.340 0.001 0.000 0.202 85 Q C 1.178 177.202 176.000 0.041 0.000 0.883 85 Q CA 0.033 55.867 55.803 0.051 0.000 0.952 85 Q CB 0.499 29.250 28.738 0.022 0.000 1.078 85 Q HN 0.481 nan 8.270 nan 0.000 0.493 86 T N 0.549 115.133 114.554 0.050 0.000 2.708 86 T HA -0.086 4.264 4.350 0.001 0.000 0.266 86 T C 0.262 174.857 174.700 -0.175 0.000 1.037 86 T CA 1.194 63.247 62.100 -0.078 0.000 1.146 86 T CB -0.039 68.794 68.868 -0.059 0.000 0.865 86 T HN 0.112 nan 8.240 nan 0.000 0.435 87 F N 1.536 121.520 119.950 0.055 0.000 2.420 87 F HA 0.499 5.027 4.527 0.001 0.000 0.342 87 F C 0.485 176.308 175.800 0.038 0.000 1.113 87 F CA -1.022 57.008 58.000 0.050 0.000 1.059 87 F CB 1.103 40.133 39.000 0.051 0.000 1.128 87 F HN -0.152 nan 8.300 nan 0.000 0.475 88 Q N 2.004 121.913 119.800 0.182 0.000 2.433 88 Q HA 0.523 4.863 4.340 0.001 0.000 0.279 88 Q C -0.833 175.233 176.000 0.111 0.000 1.105 88 Q CA -1.012 54.860 55.803 0.115 0.000 0.815 88 Q CB 2.893 31.670 28.738 0.065 0.000 1.403 88 Q HN 0.575 nan 8.270 nan 0.000 0.435 89 V N -1.171 118.793 119.914 0.084 0.000 2.644 89 V HA 0.403 4.523 4.120 0.001 0.000 0.295 89 V C -0.028 176.107 176.094 0.068 0.000 1.053 89 V CA -0.537 61.808 62.300 0.075 0.000 0.987 89 V CB 1.470 33.329 31.823 0.059 0.000 1.006 89 V HN 0.823 nan 8.190 nan 0.000 0.472 90 E N 3.361 123.605 120.200 0.075 0.000 2.290 90 E HA 0.198 4.549 4.350 0.001 0.000 0.277 90 E C 0.543 177.191 176.600 0.081 0.000 1.035 90 E CA -0.285 56.167 56.400 0.087 0.000 0.873 90 E CB 1.337 31.099 29.700 0.103 0.000 1.029 90 E HN 0.812 nan 8.360 nan 0.000 0.419 91 K N 3.054 123.502 120.400 0.079 0.000 1.973 91 K HA -0.006 4.314 4.320 0.001 0.000 0.210 91 K C 0.235 176.887 176.600 0.086 0.000 1.045 91 K CA 1.275 57.602 56.287 0.066 0.000 0.937 91 K CB 0.225 32.752 32.500 0.046 0.000 0.721 91 K HN 0.364 nan 8.250 nan 0.000 0.438 92 R N 0.820 121.396 120.500 0.127 0.000 2.445 92 R HA 0.290 4.631 4.340 0.001 0.000 0.308 92 R C -2.553 173.888 176.300 0.235 0.000 0.961 92 R CA -2.242 53.964 56.100 0.175 0.000 0.862 92 R CB 1.475 31.899 30.300 0.207 0.000 1.144 92 R HN 0.086 nan 8.270 nan 0.000 0.447 93 P HA -0.129 nan 4.420 nan 0.000 0.262 93 P C -0.896 176.413 177.300 0.014 0.000 1.182 93 P CA 0.382 63.541 63.100 0.098 0.000 0.761 93 P CB 0.508 32.232 31.700 0.040 0.000 0.795 94 H N 6.583 125.591 119.070 -0.103 0.000 2.610 94 H HA 0.121 4.678 4.556 0.001 0.000 0.336 94 H C -1.428 173.599 175.328 -0.501 0.000 1.087 94 H CA -1.909 53.896 56.048 -0.405 0.000 1.405 94 H CB 1.152 30.857 29.762 -0.096 0.000 1.460 94 H HN 0.235 nan 8.280 nan 0.000 0.538 95 P HA -0.093 nan 4.420 nan 0.000 0.225 95 P C 1.249 178.422 177.300 -0.212 0.000 1.148 95 P CA 0.786 63.616 63.100 -0.450 0.000 0.779 95 P CB 0.422 31.784 31.700 -0.564 0.000 0.780 96 L N -1.376 119.785 121.223 -0.105 0.000 2.592 96 L HA 0.121 4.461 4.340 0.001 0.000 0.227 96 L C 0.430 177.232 176.870 -0.113 0.000 1.127 96 L CA -0.246 54.457 54.840 -0.227 0.000 0.884 96 L CB -0.724 41.038 42.059 -0.495 0.000 1.065 96 L HN -0.119 nan 8.230 nan 0.000 0.457 97 N N 1.865 120.573 118.700 0.012 0.000 2.412 97 N HA 0.101 4.841 4.740 0.001 0.000 0.258 97 N C 0.426 175.958 175.510 0.037 0.000 1.236 97 N CA 0.226 53.348 53.050 0.120 0.000 0.882 97 N CB 0.686 39.230 38.487 0.095 0.000 1.066 97 N HN 0.117 nan 8.380 nan 0.000 0.465 98 A N 2.642 125.478 122.820 0.027 0.000 2.521 98 A HA 0.075 4.395 4.320 0.001 0.000 0.237 98 A C 0.522 178.099 177.584 -0.011 0.000 1.087 98 A CA -0.202 51.830 52.037 -0.008 0.000 0.777 98 A CB -0.067 18.918 19.000 -0.025 0.000 1.035 98 A HN 0.688 nan 8.150 nan 0.000 0.510 99 L N 1.225 122.437 121.223 -0.017 0.000 2.490 99 L HA 0.164 4.504 4.340 0.001 0.000 0.274 99 L C 1.473 178.331 176.870 -0.019 0.000 1.201 99 L CA 0.014 54.843 54.840 -0.019 0.000 0.869 99 L CB -0.002 42.042 42.059 -0.024 0.000 1.123 99 L HN 0.992 nan 8.230 nan 0.000 0.484 100 T N -0.309 114.234 114.554 -0.018 0.000 2.770 100 T HA 0.349 4.700 4.350 0.001 0.000 0.281 100 T C 1.193 175.878 174.700 -0.025 0.000 0.981 100 T CA -0.165 61.925 62.100 -0.017 0.000 0.955 100 T CB 1.308 70.168 68.868 -0.012 0.000 1.060 100 T HN 0.621 nan 8.240 nan 0.000 0.531 101 A N 0.348 123.154 122.820 -0.024 0.000 1.902 101 A HA -0.054 4.267 4.320 0.001 0.000 0.217 101 A C 2.084 179.647 177.584 -0.036 0.000 1.181 101 A CA 1.593 53.612 52.037 -0.030 0.000 0.623 101 A CB -1.042 17.944 19.000 -0.024 0.000 0.818 101 A HN 0.893 nan 8.150 nan 0.000 0.443 102 D N -0.383 120.000 120.400 -0.028 0.000 2.144 102 D HA -0.105 4.536 4.640 0.001 0.000 0.200 102 D C 1.936 178.216 176.300 -0.034 0.000 0.978 102 D CA 1.324 55.307 54.000 -0.029 0.000 0.833 102 D CB -0.284 40.504 40.800 -0.020 0.000 0.961 102 D HN 0.643 nan 8.370 nan 0.000 0.470 103 E N 0.255 120.437 120.200 -0.031 0.000 2.072 103 E HA -0.096 4.255 4.350 0.001 0.000 0.191 103 E C 2.350 178.920 176.600 -0.050 0.000 0.985 103 E CA 0.326 56.706 56.400 -0.033 0.000 0.801 103 E CB 0.047 29.732 29.700 -0.025 0.000 0.750 103 E HN 0.262 nan 8.360 nan 0.000 0.452 104 I N 1.399 121.934 120.570 -0.059 0.000 2.118 104 I HA -0.346 3.825 4.170 0.001 0.000 0.241 104 I C 2.325 178.370 176.117 -0.119 0.000 1.070 104 I CA 1.438 62.684 61.300 -0.090 0.000 1.327 104 I CB -0.196 37.751 38.000 -0.088 0.000 1.034 104 I HN 0.023 nan 8.210 nan 0.000 0.405 105 K N 0.023 120.365 120.400 -0.098 0.000 2.152 105 K HA -0.271 4.050 4.320 0.001 0.000 0.206 105 K C 2.141 178.686 176.600 -0.092 0.000 1.048 105 K CA 1.427 57.652 56.287 -0.102 0.000 0.933 105 K CB -0.223 32.233 32.500 -0.073 0.000 0.721 105 K HN 0.421 nan 8.250 nan 0.000 0.447 106 Q N 0.489 120.248 119.800 -0.068 0.000 2.079 106 Q HA -0.131 4.209 4.340 0.001 0.000 0.200 106 Q C 2.017 177.987 176.000 -0.051 0.000 0.974 106 Q CA 1.404 57.177 55.803 -0.051 0.000 0.840 106 Q CB -0.069 28.648 28.738 -0.033 0.000 0.898 106 Q HN 0.325 nan 8.270 nan 0.000 0.430 107 A N -0.124 122.659 122.820 -0.060 0.000 1.972 107 A HA -0.102 4.219 4.320 0.001 0.000 0.219 107 A C 2.104 179.645 177.584 -0.071 0.000 1.169 107 A CA 1.344 53.353 52.037 -0.046 0.000 0.635 107 A CB -0.404 18.566 19.000 -0.051 0.000 0.810 107 A HN 0.308 nan 8.150 nan 0.000 0.446 108 V N -0.136 119.682 119.914 -0.161 0.000 2.591 108 V HA -0.190 3.931 4.120 0.001 0.000 0.249 108 V C 2.263 178.273 176.094 -0.140 0.000 1.053 108 V CA 2.016 64.180 62.300 -0.228 0.000 1.068 108 V CB -0.686 30.910 31.823 -0.378 0.000 0.689 108 V HN 0.641 nan 8.190 nan 0.000 0.462 109 E N 0.197 120.333 120.200 -0.107 0.000 2.107 109 E HA -0.125 4.226 4.350 0.001 0.000 0.191 109 E C 2.126 178.697 176.600 -0.048 0.000 0.982 109 E CA 1.185 57.533 56.400 -0.086 0.000 0.809 109 E CB -0.154 29.509 29.700 -0.062 0.000 0.756 109 E HN 0.544 nan 8.360 nan 0.000 0.459 110 I N 1.012 121.574 120.570 -0.013 0.000 2.179 110 I HA -0.240 3.931 4.170 0.001 0.000 0.242 110 I C 2.551 178.720 176.117 0.086 0.000 1.088 110 I CA 0.989 62.308 61.300 0.031 0.000 1.357 110 I CB -0.410 37.619 38.000 0.048 0.000 1.051 110 I HN 0.082 nan 8.210 nan 0.000 0.409 111 V N -1.531 118.470 119.914 0.144 0.000 2.515 111 V HA -0.181 3.940 4.120 0.001 0.000 0.250 111 V C 2.167 178.385 176.094 0.207 0.000 1.058 111 V CA 1.408 63.905 62.300 0.328 0.000 1.064 111 V CB -0.937 31.190 31.823 0.506 0.000 0.675 111 V HN 0.337 nan 8.190 nan 0.000 0.461 112 K N 1.119 121.446 120.400 -0.121 0.000 2.362 112 K HA 0.130 4.451 4.320 0.001 0.000 0.200 112 K C 2.058 178.597 176.600 -0.103 0.000 1.046 112 K CA 1.187 57.245 56.287 -0.381 0.000 0.952 112 K CB -0.291 31.918 32.500 -0.484 0.000 0.753 112 K HN 0.621 nan 8.250 nan 0.000 0.466 113 A N 1.245 124.046 122.820 -0.031 0.000 2.238 113 A HA -0.003 4.317 4.320 0.001 0.000 0.208 113 A C 0.961 178.537 177.584 -0.012 0.000 1.177 113 A CA 0.118 52.146 52.037 -0.015 0.000 0.804 113 A CB -0.025 18.970 19.000 -0.008 0.000 0.823 113 A HN 0.185 nan 8.150 nan 0.000 0.482 114 S N -0.918 114.782 115.700 -0.001 0.000 2.585 114 S HA 0.524 4.995 4.470 0.001 0.000 0.277 114 S C 1.065 175.596 174.600 -0.115 0.000 1.241 114 S CA 0.013 58.140 58.200 -0.121 0.000 1.041 114 S CB 1.448 64.451 63.200 -0.329 0.000 0.987 114 S HN 0.765 nan 8.310 nan 0.000 0.512 115 A N 2.504 125.225 122.820 -0.165 0.000 2.209 115 A HA 0.059 4.379 4.320 0.001 0.000 0.212 115 A C 1.326 178.836 177.584 -0.124 0.000 1.158 115 A CA 1.025 52.997 52.037 -0.109 0.000 0.742 115 A CB -0.452 18.484 19.000 -0.107 0.000 0.790 115 A HN 0.878 nan 8.150 nan 0.000 0.472 116 D N -1.477 118.762 120.400 -0.268 0.000 2.305 116 D HA 0.074 4.715 4.640 0.001 0.000 0.206 116 D C 0.352 176.683 176.300 0.052 0.000 0.974 116 D CA -0.021 53.843 54.000 -0.227 0.000 0.871 116 D CB -0.119 40.307 40.800 -0.624 0.000 0.947 116 D HN 0.460 nan 8.370 nan 0.000 0.516 117 F N 2.288 122.253 119.950 0.025 0.000 2.563 117 F HA 0.057 4.584 4.527 0.000 0.000 0.363 117 F C 0.492 176.353 175.800 0.102 0.000 1.123 117 F CA 0.200 58.320 58.000 0.200 0.000 1.307 117 F CB 0.441 39.572 39.000 0.219 0.000 1.115 117 F HN -0.399 nan 8.300 nan 0.000 0.592 118 K N 7.363 127.527 120.400 -0.395 0.000 2.422 118 K HA 0.259 4.580 4.320 0.001 0.000 0.251 118 K C -2.077 174.427 176.600 -0.161 0.000 0.933 118 K CA -1.769 54.437 56.287 -0.134 0.000 0.798 118 K CB 1.919 34.348 32.500 -0.119 0.000 1.238 118 K HN 0.256 nan 8.250 nan 0.000 0.428 119 P HA -0.254 nan 4.420 nan 0.000 0.219 119 P C 0.552 177.890 177.300 0.064 0.000 1.144 119 P CA 1.525 64.720 63.100 0.159 0.000 0.806 119 P CB 0.119 31.890 31.700 0.119 0.000 0.771 120 N N -0.457 118.228 118.700 -0.026 0.000 2.494 120 N HA -0.049 4.692 4.740 0.001 0.000 0.182 120 N C -0.061 175.374 175.510 -0.124 0.000 1.076 120 N CA 0.515 53.540 53.050 -0.043 0.000 0.908 120 N CB -1.317 37.144 38.487 -0.044 0.000 0.967 120 N HN -0.044 nan 8.380 nan 0.000 0.449 121 T N 2.053 116.424 114.554 -0.306 0.000 2.817 121 T HA 0.190 4.540 4.350 0.001 0.000 0.295 121 T C 0.399 174.851 174.700 -0.413 0.000 0.958 121 T CA -0.080 61.707 62.100 -0.521 0.000 1.157 121 T CB 0.756 68.898 68.868 -1.210 0.000 0.898 121 T HN 0.199 nan 8.240 nan 0.000 0.536 122 R N 1.529 121.824 120.500 -0.342 0.000 2.782 122 R HA 0.603 4.943 4.340 0.001 0.000 0.258 122 R C -0.972 175.074 176.300 -0.424 0.000 1.055 122 R CA -0.781 55.196 56.100 -0.204 0.000 1.065 122 R CB 1.116 31.488 30.300 0.120 0.000 1.172 122 R HN 0.466 nan 8.270 nan 0.000 0.510 123 F N 0.267 120.311 119.950 0.158 0.000 2.382 123 F HA 0.177 4.705 4.527 0.001 0.000 0.361 123 F C 1.479 177.352 175.800 0.122 0.000 1.109 123 F CA -0.638 57.432 58.000 0.118 0.000 1.031 123 F CB 1.749 40.814 39.000 0.109 0.000 1.234 123 F HN 0.649 nan 8.300 nan 0.000 0.445 124 T N -1.507 113.162 114.554 0.192 0.000 2.777 124 T HA -0.072 4.278 4.350 0.001 0.000 0.266 124 T C 0.439 175.229 174.700 0.149 0.000 1.040 124 T CA 0.985 63.173 62.100 0.146 0.000 1.141 124 T CB 0.136 69.059 68.868 0.092 0.000 0.868 124 T HN 0.583 nan 8.240 nan 0.000 0.444 125 E N -0.479 119.816 120.200 0.159 0.000 2.363 125 E HA 0.548 4.899 4.350 0.001 0.000 0.281 125 E C -1.955 174.723 176.600 0.131 0.000 0.953 125 E CA -0.872 55.603 56.400 0.124 0.000 0.778 125 E CB 1.847 31.591 29.700 0.073 0.000 1.220 125 E HN 0.378 nan 8.360 nan 0.000 0.431 126 I N 2.877 123.499 120.570 0.087 0.000 2.468 126 I HA 0.384 4.554 4.170 0.001 0.000 0.284 126 I C -0.841 175.290 176.117 0.023 0.000 1.038 126 I CA -0.514 60.815 61.300 0.047 0.000 1.083 126 I CB 1.813 39.800 38.000 -0.020 0.000 1.223 126 I HN 0.306 nan 8.210 nan 0.000 0.443 127 S N 4.969 120.684 115.700 0.025 0.000 2.564 127 S HA 0.493 4.963 4.470 0.001 0.000 0.274 127 S C -0.743 173.862 174.600 0.008 0.000 1.124 127 S CA -0.612 57.597 58.200 0.014 0.000 0.869 127 S CB 2.496 65.711 63.200 0.025 0.000 1.105 127 S HN 0.517 nan 8.310 nan 0.000 0.472 128 L N 3.078 124.297 121.223 -0.005 0.000 2.559 128 L HA 0.298 4.639 4.340 0.001 0.000 0.282 128 L C -0.508 176.361 176.870 -0.003 0.000 1.232 128 L CA -0.044 54.790 54.840 -0.010 0.000 0.885 128 L CB 0.093 42.138 42.059 -0.023 0.000 1.131 128 L HN 0.570 nan 8.230 nan 0.000 0.498 129 L N 8.611 129.835 121.223 0.002 0.000 2.281 129 L HA 0.560 4.900 4.340 0.001 0.000 0.285 129 L C -2.320 174.550 176.870 0.001 0.000 1.074 129 L CA -2.429 52.417 54.840 0.009 0.000 0.817 129 L CB 0.204 42.274 42.059 0.018 0.000 1.168 129 L HN 0.576 nan 8.230 nan 0.000 0.434 130 P HA 0.268 nan 4.420 nan 0.000 0.271 130 P C -2.631 174.676 177.300 0.012 0.000 1.220 130 P CA -0.970 62.133 63.100 0.004 0.000 0.768 130 P CB -0.074 31.642 31.700 0.025 0.000 0.848 131 P HA 0.055 nan 4.420 nan 0.000 0.274 131 P C -0.156 177.148 177.300 0.007 0.000 1.264 131 P CA -0.044 63.049 63.100 -0.011 0.000 0.795 131 P CB 0.310 31.982 31.700 -0.048 0.000 1.064 132 D N -0.139 120.261 120.400 -0.001 0.000 2.304 132 D HA 0.028 4.669 4.640 0.001 0.000 0.247 132 D C 0.803 177.070 176.300 -0.056 0.000 1.089 132 D CA -0.443 53.556 54.000 -0.001 0.000 0.910 132 D CB 1.138 41.943 40.800 0.008 0.000 1.199 132 D HN 0.327 nan 8.370 nan 0.000 0.426 133 K N 2.032 122.347 120.400 -0.141 0.000 2.057 133 K HA -0.238 4.082 4.320 0.001 0.000 0.207 133 K C 1.816 178.253 176.600 -0.271 0.000 1.049 133 K CA 1.400 57.420 56.287 -0.445 0.000 0.931 133 K CB 0.001 32.029 32.500 -0.787 0.000 0.714 133 K HN 0.579 nan 8.250 nan 0.000 0.440 134 E N -0.317 119.815 120.200 -0.113 0.000 2.077 134 E HA -0.198 4.153 4.350 0.001 0.000 0.193 134 E C 1.786 178.426 176.600 0.066 0.000 0.989 134 E CA 1.138 57.546 56.400 0.014 0.000 0.800 134 E CB -0.128 29.574 29.700 0.003 0.000 0.746 134 E HN 0.490 nan 8.360 nan 0.000 0.452 135 A N 0.195 123.032 122.820 0.029 0.000 1.930 135 A HA -0.100 4.220 4.320 0.001 0.000 0.217 135 A C 2.343 179.972 177.584 0.074 0.000 1.175 135 A CA 1.050 53.119 52.037 0.052 0.000 0.627 135 A CB -0.401 18.612 19.000 0.023 0.000 0.815 135 A HN 0.203 nan 8.150 nan 0.000 0.443 136 V N -2.160 117.766 119.914 0.020 0.000 2.343 136 V HA -0.284 3.837 4.120 0.001 0.000 0.247 136 V C 2.205 178.371 176.094 0.120 0.000 1.051 136 V CA 1.723 64.019 62.300 -0.006 0.000 1.036 136 V CB -0.931 30.886 31.823 -0.010 0.000 0.654 136 V HN 0.797 nan 8.190 nan 0.000 0.451 137 W N -0.145 121.216 121.300 0.102 0.000 2.381 137 W HA -0.105 4.556 4.660 0.001 0.000 0.301 137 W C 2.592 179.165 176.519 0.090 0.000 1.205 137 W CA 0.955 58.368 57.345 0.113 0.000 1.285 137 W CB -0.250 29.235 29.460 0.042 0.000 1.133 137 W HN 0.189 nan 8.180 nan 0.000 0.521 138 A N -0.304 122.702 122.820 0.310 0.000 1.940 138 A HA -0.253 4.067 4.320 0.001 0.000 0.219 138 A C 1.663 179.345 177.584 0.164 0.000 1.176 138 A CA 1.552 53.699 52.037 0.183 0.000 0.631 138 A CB -1.211 17.862 19.000 0.121 0.000 0.814 138 A HN 0.408 nan 8.150 nan 0.000 0.446 139 F N 0.892 120.863 119.950 0.035 0.000 2.075 139 F HA -0.057 4.470 4.527 0.001 0.000 0.297 139 F C 2.531 178.335 175.800 0.006 0.000 1.113 139 F CA 1.404 59.386 58.000 -0.029 0.000 1.218 139 F CB -0.468 38.447 39.000 -0.142 0.000 0.984 139 F HN 0.243 nan 8.300 nan 0.000 0.472 140 A N 0.305 123.322 122.820 0.329 0.000 1.902 140 A HA -0.096 4.224 4.320 0.001 0.000 0.217 140 A C 2.181 179.887 177.584 0.204 0.000 1.181 140 A CA 1.958 54.182 52.037 0.312 0.000 0.623 140 A CB -1.008 18.263 19.000 0.453 0.000 0.818 140 A HN 0.501 nan 8.150 nan 0.000 0.443 141 L N -2.088 119.268 121.223 0.221 0.000 2.408 141 L HA 0.121 4.461 4.340 0.001 0.000 0.215 141 L C 1.838 178.731 176.870 0.038 0.000 1.081 141 L CA 0.735 55.654 54.840 0.131 0.000 0.840 141 L CB -0.000 42.132 42.059 0.123 0.000 1.002 141 L HN 0.354 nan 8.230 nan 0.000 0.468 142 E N -1.078 119.130 120.200 0.013 0.000 2.539 142 E HA 0.037 4.388 4.350 0.001 0.000 0.215 142 E C -0.012 176.537 176.600 -0.085 0.000 0.965 142 E CA -0.122 56.264 56.400 -0.024 0.000 1.019 142 E CB 0.529 30.229 29.700 -0.000 0.000 1.059 142 E HN 0.213 nan 8.360 nan 0.000 0.496 143 N N 1.852 120.445 118.700 -0.177 0.000 2.782 143 N HA -0.210 4.531 4.740 0.001 0.000 0.251 143 N C -0.522 174.845 175.510 -0.238 0.000 1.101 143 N CA 0.870 53.710 53.050 -0.349 0.000 0.764 143 N CB -1.038 37.299 38.487 -0.250 0.000 1.122 143 N HN 0.171 nan 8.380 nan 0.000 0.561 144 K N 0.806 121.148 120.400 -0.097 0.000 2.379 144 K HA 0.297 4.618 4.320 0.001 0.000 0.284 144 K C -2.331 174.326 176.600 0.096 0.000 1.044 144 K CA -1.309 54.978 56.287 -0.001 0.000 0.974 144 K CB 0.679 33.198 32.500 0.032 0.000 0.962 144 K HN -0.011 nan 8.250 nan 0.000 0.474 145 P HA -0.008 nan 4.420 nan 0.000 0.272 145 P C -1.113 176.269 177.300 0.136 0.000 1.223 145 P CA -0.506 62.703 63.100 0.182 0.000 0.784 145 P CB 0.782 32.546 31.700 0.106 0.000 0.923 146 V N 2.649 122.631 119.914 0.113 0.000 2.364 146 V HA 0.085 4.206 4.120 0.001 0.000 0.272 146 V C 0.480 176.586 176.094 0.021 0.000 1.036 146 V CA 0.192 62.515 62.300 0.039 0.000 0.880 146 V CB 0.604 32.405 31.823 -0.037 0.000 0.991 146 V HN 0.578 nan 8.190 nan 0.000 0.460 147 D N 2.495 122.907 120.400 0.022 0.000 2.339 147 D HA 0.064 4.705 4.640 0.001 0.000 0.217 147 D C 0.371 176.676 176.300 0.008 0.000 1.050 147 D CA -0.120 53.890 54.000 0.016 0.000 0.856 147 D CB 0.138 40.949 40.800 0.018 0.000 0.922 147 D HN 0.627 nan 8.370 nan 0.000 0.518 148 Q N 1.258 121.059 119.800 0.003 0.000 2.340 148 Q HA 0.354 4.695 4.340 0.001 0.000 0.249 148 Q C -2.308 173.689 176.000 -0.005 0.000 0.957 148 Q CA -1.678 54.126 55.803 0.001 0.000 0.882 148 Q CB 0.216 28.954 28.738 -0.000 0.000 1.235 148 Q HN 0.056 nan 8.270 nan 0.000 0.439 149 P HA 0.078 nan 4.420 nan 0.000 0.276 149 P C -0.792 176.504 177.300 -0.007 0.000 1.230 149 P CA -0.452 62.647 63.100 -0.002 0.000 0.776 149 P CB 0.675 32.378 31.700 0.005 0.000 0.888 150 R N 2.938 123.430 120.500 -0.013 0.000 2.523 150 R HA 0.062 4.403 4.340 0.001 0.000 0.281 150 R C 0.363 176.660 176.300 -0.005 0.000 0.969 150 R CA 0.799 56.889 56.100 -0.017 0.000 1.093 150 R CB -0.028 30.260 30.300 -0.019 0.000 0.917 150 R HN 0.524 nan 8.270 nan 0.000 0.408 151 K N 0.742 121.140 120.400 -0.003 0.000 2.400 151 K HA 0.681 5.002 4.320 0.001 0.000 0.246 151 K C -0.975 175.630 176.600 0.008 0.000 0.995 151 K CA -0.870 55.422 56.287 0.008 0.000 0.840 151 K CB 2.437 34.946 32.500 0.015 0.000 1.293 151 K HN 0.600 nan 8.250 nan 0.000 0.445 152 A N 1.334 124.164 122.820 0.016 0.000 2.371 152 A HA 0.386 4.707 4.320 0.001 0.000 0.311 152 A C -1.256 176.347 177.584 0.032 0.000 1.068 152 A CA -0.788 51.260 52.037 0.018 0.000 0.744 152 A CB 0.884 19.890 19.000 0.010 0.000 1.239 152 A HN 0.634 nan 8.150 nan 0.000 0.435 153 D N 1.370 121.792 120.400 0.036 0.000 2.308 153 D HA 0.421 5.061 4.640 0.001 0.000 0.251 153 D C -0.670 175.666 176.300 0.061 0.000 1.127 153 D CA 0.382 54.411 54.000 0.049 0.000 0.876 153 D CB 1.712 42.544 40.800 0.052 0.000 1.176 153 D HN 0.163 nan 8.370 nan 0.000 0.446 154 V N 4.507 124.464 119.914 0.072 0.000 2.409 154 V HA 0.365 4.486 4.120 0.001 0.000 0.290 154 V C 0.265 176.414 176.094 0.091 0.000 1.017 154 V CA -0.703 61.667 62.300 0.117 0.000 0.841 154 V CB 1.342 33.257 31.823 0.153 0.000 1.003 154 V HN 0.357 nan 8.190 nan 0.000 0.426 155 I N 5.702 126.345 120.570 0.123 0.000 2.362 155 I HA 0.540 4.711 4.170 0.001 0.000 0.289 155 I C -0.246 175.903 176.117 0.054 0.000 0.994 155 I CA -0.256 61.085 61.300 0.069 0.000 1.158 155 I CB 1.710 39.778 38.000 0.113 0.000 1.315 155 I HN 0.455 nan 8.210 nan 0.000 0.451 156 M N 6.368 125.918 119.600 -0.085 0.000 2.528 156 M HA 0.458 4.939 4.480 0.001 0.000 0.321 156 M C -1.238 174.941 176.300 -0.200 0.000 1.153 156 M CA -0.900 54.278 55.300 -0.204 0.000 0.951 156 M CB 2.856 35.250 32.600 -0.344 0.000 1.705 156 M HN 0.326 nan 8.290 nan 0.000 0.451 157 L N 2.812 123.907 121.223 -0.214 0.000 2.295 157 L HA 0.402 4.743 4.340 0.001 0.000 0.281 157 L C -1.009 175.741 176.870 -0.199 0.000 1.018 157 L CA -0.095 54.644 54.840 -0.168 0.000 0.841 157 L CB 0.810 42.803 42.059 -0.109 0.000 1.218 157 L HN 0.501 nan 8.230 nan 0.000 0.424 158 D N 4.637 124.940 120.400 -0.161 0.000 2.479 158 D HA 0.508 5.149 4.640 0.001 0.000 0.218 158 D C 0.950 177.213 176.300 -0.061 0.000 1.131 158 D CA 0.944 54.863 54.000 -0.135 0.000 0.916 158 D CB 0.578 41.323 40.800 -0.092 0.000 1.022 158 D HN 0.840 nan 8.370 nan 0.000 0.515 159 G N 5.194 113.941 108.800 -0.088 0.000 2.601 159 G HA2 -0.386 3.575 3.960 0.001 0.000 0.306 159 G HA3 -0.386 3.575 3.960 0.001 0.000 0.306 159 G C 0.855 175.678 174.900 -0.128 0.000 1.172 159 G CA 0.776 45.829 45.100 -0.078 0.000 0.966 159 G HN 0.623 nan 8.290 nan 0.000 0.542 160 K N 1.088 121.362 120.400 -0.211 0.000 2.374 160 K HA 0.288 4.608 4.320 0.001 0.000 0.196 160 K C 0.453 176.769 176.600 -0.473 0.000 1.023 160 K CA 0.194 56.280 56.287 -0.334 0.000 1.103 160 K CB 0.147 32.412 32.500 -0.392 0.000 0.848 160 K HN 0.658 nan 8.250 nan 0.000 0.528 161 H N 1.076 120.039 119.070 -0.177 0.000 2.463 161 H HA 0.276 4.832 4.556 0.001 0.000 0.332 161 H C -0.310 174.889 175.328 -0.215 0.000 1.127 161 H CA -0.799 55.128 56.048 -0.201 0.000 1.238 161 H CB 1.542 31.209 29.762 -0.158 0.000 1.478 161 H HN 0.008 nan 8.280 nan 0.000 0.499 162 I N 4.166 124.652 120.570 -0.140 0.000 2.353 162 I HA 0.201 4.371 4.170 0.001 0.000 0.293 162 I C 0.210 176.201 176.117 -0.210 0.000 0.992 162 I CA -0.385 60.786 61.300 -0.215 0.000 1.268 162 I CB 0.943 38.708 38.000 -0.391 0.000 1.387 162 I HN 0.381 nan 8.210 nan 0.000 0.478 163 I N 5.801 126.223 120.570 -0.246 0.000 2.498 163 I HA 0.263 4.434 4.170 0.001 0.000 0.290 163 I C -0.003 175.929 176.117 -0.307 0.000 1.032 163 I CA -0.429 60.667 61.300 -0.340 0.000 1.073 163 I CB 1.869 39.486 38.000 -0.638 0.000 1.251 163 I HN 0.435 nan 8.210 nan 0.000 0.426 164 E N 5.046 125.110 120.200 -0.227 0.000 2.109 164 E HA 0.681 5.032 4.350 0.001 0.000 0.278 164 E C -0.768 175.728 176.600 -0.173 0.000 0.954 164 E CA -0.652 55.673 56.400 -0.126 0.000 0.779 164 E CB 1.650 31.348 29.700 -0.003 0.000 1.093 164 E HN 0.645 nan 8.360 nan 0.000 0.401 165 A N 2.987 125.714 122.820 -0.155 0.000 2.337 165 A HA 0.606 4.926 4.320 0.001 0.000 0.329 165 A C -0.589 177.017 177.584 0.036 0.000 1.146 165 A CA -0.633 51.368 52.037 -0.059 0.000 0.800 165 A CB 1.232 20.186 19.000 -0.078 0.000 1.220 165 A HN 0.412 nan 8.150 nan 0.000 0.472 166 V N 2.243 122.201 119.914 0.074 0.000 2.513 166 V HA 0.637 4.758 4.120 0.001 0.000 0.299 166 V C -0.002 176.144 176.094 0.087 0.000 1.035 166 V CA -0.409 61.934 62.300 0.072 0.000 0.889 166 V CB 1.443 33.305 31.823 0.064 0.000 0.988 166 V HN 1.093 nan 8.190 nan 0.000 0.440 167 V N 0.315 120.271 119.914 0.070 0.000 2.914 167 V HA 0.735 4.856 4.120 0.001 0.000 0.314 167 V C -0.952 175.168 176.094 0.043 0.000 1.084 167 V CA -0.711 61.628 62.300 0.065 0.000 0.963 167 V CB 2.169 34.029 31.823 0.062 0.000 1.025 167 V HN 0.789 nan 8.190 nan 0.000 0.432 168 D N 2.364 122.787 120.400 0.039 0.000 2.329 168 D HA 0.446 5.087 4.640 0.001 0.000 0.232 168 D C 0.544 176.855 176.300 0.018 0.000 1.088 168 D CA -0.263 53.752 54.000 0.026 0.000 0.835 168 D CB 1.729 42.545 40.800 0.027 0.000 1.078 168 D HN 0.626 nan 8.370 nan 0.000 0.495 169 L N 2.935 124.164 121.223 0.010 0.000 2.249 169 L HA 0.007 4.347 4.340 0.001 0.000 0.207 169 L C 2.391 179.263 176.870 0.003 0.000 1.090 169 L CA 0.311 55.154 54.840 0.004 0.000 0.802 169 L CB -0.108 41.949 42.059 -0.003 0.000 0.947 169 L HN 0.502 nan 8.230 nan 0.000 0.453 170 Q N 0.594 120.396 119.800 0.003 0.000 2.135 170 Q HA -0.177 4.164 4.340 0.001 0.000 0.204 170 Q C 1.120 177.123 176.000 0.006 0.000 0.981 170 Q CA 1.523 57.328 55.803 0.003 0.000 0.856 170 Q CB 0.224 28.964 28.738 0.003 0.000 0.902 170 Q HN 0.479 nan 8.270 nan 0.000 0.425 171 N N 0.375 119.080 118.700 0.009 0.000 2.214 171 N HA -0.001 4.739 4.740 0.001 0.000 0.214 171 N C -0.427 175.089 175.510 0.011 0.000 1.132 171 N CA 0.230 53.286 53.050 0.010 0.000 0.856 171 N CB 0.427 38.921 38.487 0.012 0.000 1.020 171 N HN 0.258 nan 8.380 nan 0.000 0.509 172 N N 1.605 120.311 118.700 0.010 0.000 2.710 172 N HA -0.232 4.508 4.740 0.001 0.000 0.249 172 N C -0.584 174.936 175.510 0.017 0.000 1.059 172 N CA 0.925 53.981 53.050 0.010 0.000 0.720 172 N CB -0.860 37.629 38.487 0.004 0.000 0.983 172 N HN 0.558 nan 8.380 nan 0.000 0.544 173 K N -0.745 119.669 120.400 0.024 0.000 2.267 173 K HA 0.557 4.877 4.320 0.001 0.000 0.246 173 K C -0.612 176.019 176.600 0.050 0.000 0.954 173 K CA -1.127 55.179 56.287 0.033 0.000 0.824 173 K CB 1.319 33.836 32.500 0.028 0.000 1.167 173 K HN 0.045 nan 8.250 nan 0.000 0.431 174 L N 3.819 125.081 121.223 0.066 0.000 2.319 174 L HA 0.194 4.535 4.340 0.001 0.000 0.280 174 L C 0.085 177.011 176.870 0.092 0.000 1.099 174 L CA 0.028 54.928 54.840 0.101 0.000 0.828 174 L CB 0.550 42.688 42.059 0.132 0.000 1.150 174 L HN 0.880 nan 8.230 nan 0.000 0.442 175 L N 3.022 124.304 121.223 0.098 0.000 2.425 175 L HA 0.294 4.634 4.340 0.001 0.000 0.215 175 L C 0.359 177.291 176.870 0.103 0.000 1.065 175 L CA 0.514 55.403 54.840 0.083 0.000 0.842 175 L CB 0.013 42.112 42.059 0.066 0.000 1.033 175 L HN 0.837 nan 8.230 nan 0.000 0.474 176 S N -2.372 113.413 115.700 0.142 0.000 2.578 176 S HA 0.371 4.841 4.470 0.001 0.000 0.272 176 S C -2.038 172.719 174.600 0.262 0.000 1.145 176 S CA -0.745 57.557 58.200 0.170 0.000 0.835 176 S CB 1.961 65.230 63.200 0.116 0.000 1.104 176 S HN 0.197 nan 8.310 nan 0.000 0.458 177 W N 2.295 123.620 121.300 0.042 0.000 2.527 177 W HA 0.451 5.112 4.660 0.001 0.000 0.293 177 W C -1.660 174.874 176.519 0.025 0.000 1.036 177 W CA -0.083 57.288 57.345 0.042 0.000 1.233 177 W CB 1.483 30.969 29.460 0.042 0.000 1.116 177 W HN 0.924 nan 8.180 nan 0.000 0.335 178 Q N 6.710 126.503 119.800 -0.012 0.000 2.363 178 Q HA 0.466 4.807 4.340 0.001 0.000 0.265 178 Q C -2.473 173.483 176.000 -0.074 0.000 1.032 178 Q CA -2.073 53.741 55.803 0.018 0.000 0.746 178 Q CB 2.011 30.767 28.738 0.029 0.000 1.237 178 Q HN 0.022 nan 8.270 nan 0.000 0.475 179 P HA 0.096 nan 4.420 nan 0.000 0.268 179 P C -0.685 176.571 177.300 -0.074 0.000 1.205 179 P CA 0.075 63.136 63.100 -0.065 0.000 0.771 179 P CB 0.557 32.245 31.700 -0.020 0.000 0.858 180 I N 2.387 122.883 120.570 -0.122 0.000 2.420 180 I HA 0.248 4.419 4.170 0.001 0.000 0.282 180 I C 0.682 176.713 176.117 -0.142 0.000 1.019 180 I CA -0.896 60.316 61.300 -0.146 0.000 1.130 180 I CB 0.805 38.640 38.000 -0.276 0.000 1.262 180 I HN 0.318 nan 8.210 nan 0.000 0.454 181 K N 6.075 126.427 120.400 -0.079 0.000 2.484 181 K HA -0.033 4.288 4.320 0.001 0.000 0.280 181 K C 0.216 176.774 176.600 -0.071 0.000 1.013 181 K CA 0.659 56.914 56.287 -0.054 0.000 1.029 181 K CB 0.504 32.988 32.500 -0.026 0.000 0.902 181 K HN 0.550 nan 8.250 nan 0.000 0.481 182 D N 0.125 120.479 120.400 -0.077 0.000 2.495 182 D HA -0.201 4.439 4.640 0.001 0.000 0.175 182 D C -0.341 175.890 176.300 -0.115 0.000 1.040 182 D CA 1.604 55.556 54.000 -0.079 0.000 1.049 182 D CB -1.062 39.726 40.800 -0.020 0.000 1.105 182 D HN 0.691 nan 8.370 nan 0.000 0.457 183 A N 1.415 124.122 122.820 -0.189 0.000 2.520 183 A HA 0.234 4.554 4.320 0.001 0.000 0.245 183 A C 0.317 177.731 177.584 -0.285 0.000 1.072 183 A CA 0.491 52.378 52.037 -0.251 0.000 0.761 183 A CB 0.178 18.787 19.000 -0.652 0.000 1.004 183 A HN 0.256 nan 8.150 nan 0.000 0.499 184 H N 1.085 120.060 119.070 -0.159 0.000 2.472 184 H HA 0.429 4.985 4.556 0.001 0.000 0.335 184 H C 0.900 176.172 175.328 -0.093 0.000 1.136 184 H CA 0.326 56.290 56.048 -0.141 0.000 1.264 184 H CB 1.625 31.319 29.762 -0.112 0.000 1.486 184 H HN 0.846 nan 8.280 nan 0.000 0.517 185 G N 1.576 110.372 108.800 -0.008 0.000 2.504 185 G HA2 0.341 4.302 3.960 0.001 0.000 0.288 185 G HA3 0.341 4.302 3.960 0.001 0.000 0.288 185 G C 0.599 175.504 174.900 0.008 0.000 1.182 185 G CA -0.760 44.352 45.100 0.021 0.000 0.894 185 G HN 0.650 nan 8.290 nan 0.000 0.521 186 M N 0.157 119.758 119.600 0.003 0.000 2.184 186 M HA 0.331 4.812 4.480 0.001 0.000 0.296 186 M C -0.213 176.030 176.300 -0.096 0.000 1.165 186 M CA -0.254 55.009 55.300 -0.062 0.000 1.175 186 M CB 0.277 32.850 32.600 -0.045 0.000 1.392 186 M HN 0.103 nan 8.290 nan 0.000 0.457 187 V N 2.824 122.625 119.914 -0.188 0.000 2.521 187 V HA 0.212 4.332 4.120 0.001 0.000 0.286 187 V C 0.411 176.491 176.094 -0.023 0.000 1.034 187 V CA -0.125 62.072 62.300 -0.171 0.000 1.045 187 V CB 0.172 31.769 31.823 -0.375 0.000 0.974 187 V HN 0.645 nan 8.190 nan 0.000 0.480 188 L N 4.153 125.365 121.223 -0.017 0.000 2.334 188 L HA 0.387 4.728 4.340 0.001 0.000 0.270 188 L C 1.104 177.931 176.870 -0.072 0.000 1.018 188 L CA -0.776 54.025 54.840 -0.065 0.000 0.811 188 L CB 1.433 43.387 42.059 -0.176 0.000 1.271 188 L HN 0.516 nan 8.230 nan 0.000 0.443 189 L N 1.340 122.411 121.223 -0.253 0.000 2.079 189 L HA -0.220 4.120 4.340 0.001 0.000 0.210 189 L C 2.058 178.834 176.870 -0.156 0.000 1.081 189 L CA 1.987 56.714 54.840 -0.189 0.000 0.752 189 L CB -0.577 41.374 42.059 -0.180 0.000 0.896 189 L HN 0.855 nan 8.230 nan 0.000 0.433 190 D N -2.099 118.040 120.400 -0.435 0.000 2.312 190 D HA -0.195 4.446 4.640 0.001 0.000 0.211 190 D C 1.387 177.672 176.300 -0.024 0.000 0.964 190 D CA 0.911 54.810 54.000 -0.167 0.000 0.877 190 D CB -0.537 40.181 40.800 -0.136 0.000 0.924 190 D HN 0.366 nan 8.370 nan 0.000 0.515 191 D N 0.110 120.508 120.400 -0.003 0.000 2.144 191 D HA -0.101 4.539 4.640 0.001 0.000 0.200 191 D C 1.752 178.081 176.300 0.048 0.000 0.978 191 D CA 0.568 54.567 54.000 -0.002 0.000 0.833 191 D CB -0.497 40.275 40.800 -0.047 0.000 0.961 191 D HN 0.226 nan 8.370 nan 0.000 0.470 192 F N 1.535 121.460 119.950 -0.042 0.000 2.126 192 F HA -0.125 4.402 4.527 0.001 0.000 0.299 192 F C 2.513 178.297 175.800 -0.027 0.000 1.096 192 F CA 1.071 59.066 58.000 -0.007 0.000 1.255 192 F CB -0.738 38.281 39.000 0.032 0.000 0.997 192 F HN -0.069 nan 8.300 nan 0.000 0.479 193 A N -1.367 121.557 122.820 0.172 0.000 1.929 193 A HA -0.143 4.177 4.320 0.001 0.000 0.216 193 A C 2.355 179.956 177.584 0.027 0.000 1.176 193 A CA 1.680 53.766 52.037 0.082 0.000 0.628 193 A CB -1.147 17.893 19.000 0.068 0.000 0.816 193 A HN 0.315 nan 8.150 nan 0.000 0.444 194 S N -0.544 115.166 115.700 0.016 0.000 2.356 194 S HA -0.130 4.341 4.470 0.001 0.000 0.223 194 S C 1.924 176.491 174.600 -0.055 0.000 1.032 194 S CA 1.630 59.819 58.200 -0.019 0.000 1.005 194 S CB -0.476 62.710 63.200 -0.024 0.000 0.867 194 S HN 0.274 nan 8.310 nan 0.000 0.449 195 V N 1.651 121.522 119.914 -0.072 0.000 2.332 195 V HA -0.176 3.945 4.120 0.001 0.000 0.248 195 V C 2.711 178.723 176.094 -0.137 0.000 1.055 195 V CA 2.363 64.590 62.300 -0.122 0.000 1.038 195 V CB -0.841 30.890 31.823 -0.154 0.000 0.651 195 V HN 0.563 nan 8.190 nan 0.000 0.450 196 Q N 0.259 120.004 119.800 -0.092 0.000 2.167 196 Q HA -0.185 4.156 4.340 0.001 0.000 0.202 196 Q C 1.871 177.809 176.000 -0.104 0.000 0.970 196 Q CA 2.202 57.944 55.803 -0.102 0.000 0.855 196 Q CB -0.363 28.344 28.738 -0.051 0.000 0.911 196 Q HN 0.694 nan 8.270 nan 0.000 0.438 197 N N -0.663 117.992 118.700 -0.075 0.000 2.109 197 N HA -0.012 4.728 4.740 0.001 0.000 0.188 197 N C 1.440 176.900 175.510 -0.083 0.000 1.034 197 N CA 1.427 54.439 53.050 -0.063 0.000 0.846 197 N CB -0.082 38.382 38.487 -0.039 0.000 1.010 197 N HN 0.279 nan 8.380 nan 0.000 0.425 198 I N -0.019 120.491 120.570 -0.099 0.000 2.194 198 I HA -0.268 3.902 4.170 0.001 0.000 0.246 198 I C 1.631 177.652 176.117 -0.160 0.000 1.093 198 I CA 0.840 62.073 61.300 -0.111 0.000 1.355 198 I CB -0.194 37.737 38.000 -0.115 0.000 1.046 198 I HN 0.157 nan 8.210 nan 0.000 0.413 199 I N 0.877 121.294 120.570 -0.254 0.000 2.252 199 I HA -0.263 3.907 4.170 0.001 0.000 0.245 199 I C 2.105 178.085 176.117 -0.229 0.000 1.102 199 I CA 1.496 62.534 61.300 -0.436 0.000 1.385 199 I CB -0.632 36.930 38.000 -0.729 0.000 1.064 199 I HN 0.202 nan 8.210 nan 0.000 0.414 200 N N 0.573 119.187 118.700 -0.143 0.000 2.289 200 N HA -0.154 4.587 4.740 0.001 0.000 0.184 200 N C 1.233 176.726 175.510 -0.029 0.000 1.016 200 N CA 1.210 54.224 53.050 -0.060 0.000 0.872 200 N CB -0.544 37.914 38.487 -0.050 0.000 0.973 200 N HN 0.491 nan 8.380 nan 0.000 0.433 201 N N -1.054 117.622 118.700 -0.040 0.000 2.336 201 N HA 0.040 4.780 4.740 0.001 0.000 0.189 201 N C -0.438 175.069 175.510 -0.005 0.000 1.113 201 N CA -0.142 52.897 53.050 -0.019 0.000 0.858 201 N CB 0.402 38.874 38.487 -0.024 0.000 0.970 201 N HN -0.079 nan 8.380 nan 0.000 0.471 202 S N 1.203 116.905 115.700 0.003 0.000 2.430 202 S HA 0.047 4.517 4.470 0.001 0.000 0.289 202 S C 1.251 175.898 174.600 0.079 0.000 1.143 202 S CA -0.764 57.461 58.200 0.040 0.000 1.067 202 S CB 0.572 63.807 63.200 0.058 0.000 0.964 202 S HN 0.206 nan 8.310 nan 0.000 0.485 203 E N 5.302 125.532 120.200 0.051 0.000 2.107 203 E HA -0.163 4.187 4.350 0.001 0.000 0.191 203 E C 1.176 177.805 176.600 0.048 0.000 0.982 203 E CA 1.153 57.578 56.400 0.043 0.000 0.809 203 E CB -0.562 29.151 29.700 0.022 0.000 0.756 203 E HN 0.853 nan 8.360 nan 0.000 0.459 204 E N 0.298 120.530 120.200 0.052 0.000 2.038 204 E HA -0.164 4.187 4.350 0.001 0.000 0.195 204 E C 2.036 178.669 176.600 0.056 0.000 1.000 204 E CA 1.249 57.674 56.400 0.042 0.000 0.803 204 E CB -0.510 29.216 29.700 0.044 0.000 0.750 204 E HN 0.261 nan 8.360 nan 0.000 0.448 205 F N 1.755 121.687 119.950 -0.029 0.000 2.126 205 F HA -0.219 4.309 4.527 0.001 0.000 0.299 205 F C 2.372 178.155 175.800 -0.028 0.000 1.096 205 F CA 1.555 59.535 58.000 -0.033 0.000 1.255 205 F CB -0.251 38.725 39.000 -0.040 0.000 0.997 205 F HN -0.044 nan 8.300 nan 0.000 0.479 206 A N 0.078 122.999 122.820 0.168 0.000 1.933 206 A HA -0.066 4.254 4.320 0.001 0.000 0.218 206 A C 2.368 179.935 177.584 -0.028 0.000 1.175 206 A CA 1.700 53.781 52.037 0.074 0.000 0.628 206 A CB -1.467 17.582 19.000 0.082 0.000 0.814 206 A HN 0.494 nan 8.150 nan 0.000 0.444 207 A N -0.140 122.660 122.820 -0.033 0.000 1.898 207 A HA 0.223 4.543 4.320 0.001 0.000 0.216 207 A C 2.518 180.041 177.584 -0.103 0.000 1.181 207 A CA 1.899 53.904 52.037 -0.052 0.000 0.620 207 A CB -1.054 17.927 19.000 -0.032 0.000 0.819 207 A HN 1.022 nan 8.150 nan 0.000 0.442 208 A N -0.491 122.231 122.820 -0.164 0.000 1.865 208 A HA -0.087 4.234 4.320 0.001 0.000 0.217 208 A C 2.232 179.657 177.584 -0.264 0.000 1.191 208 A CA 1.954 53.853 52.037 -0.230 0.000 0.623 208 A CB -1.122 17.680 19.000 -0.331 0.000 0.826 208 A HN 0.428 nan 8.150 nan 0.000 0.444 209 V N 0.195 119.893 119.914 -0.359 0.000 2.392 209 V HA -0.267 3.854 4.120 0.001 0.000 0.249 209 V C 2.571 178.588 176.094 -0.128 0.000 1.059 209 V CA 2.417 64.554 62.300 -0.271 0.000 1.051 209 V CB -0.565 31.110 31.823 -0.247 0.000 0.658 209 V HN 0.667 nan 8.190 nan 0.000 0.455 210 K N 0.630 120.972 120.400 -0.097 0.000 2.057 210 K HA -0.176 4.144 4.320 0.001 0.000 0.206 210 K C 2.145 178.715 176.600 -0.049 0.000 1.050 210 K CA 1.233 57.488 56.287 -0.054 0.000 0.935 210 K CB -0.081 32.397 32.500 -0.037 0.000 0.715 210 K HN 0.481 nan 8.250 nan 0.000 0.439 211 K N 0.377 120.741 120.400 -0.060 0.000 2.442 211 K HA -0.123 4.197 4.320 0.001 0.000 0.198 211 K C 0.976 177.550 176.600 -0.044 0.000 1.042 211 K CA 0.976 57.236 56.287 -0.046 0.000 0.958 211 K CB -0.081 32.392 32.500 -0.045 0.000 0.766 211 K HN 0.093 nan 8.250 nan 0.000 0.474 212 R N 0.421 120.886 120.500 -0.058 0.000 2.555 212 R HA 0.097 4.437 4.340 0.001 0.000 0.272 212 R C 0.581 176.867 176.300 -0.023 0.000 1.089 212 R CA 0.390 56.464 56.100 -0.043 0.000 1.126 212 R CB 0.068 30.330 30.300 -0.063 0.000 1.250 212 R HN 0.559 nan 8.270 nan 0.000 0.551 213 G N 0.822 109.611 108.800 -0.019 0.000 2.268 213 G HA2 -0.283 3.677 3.960 0.001 0.000 0.240 213 G HA3 -0.283 3.677 3.960 0.001 0.000 0.240 213 G C 0.147 175.045 174.900 -0.003 0.000 1.010 213 G CA -0.353 44.745 45.100 -0.005 0.000 0.618 213 G HN 0.199 nan 8.290 nan 0.000 0.516 214 I N 2.884 123.447 120.570 -0.011 0.000 2.581 214 I HA 0.305 4.476 4.170 0.001 0.000 0.285 214 I C 1.976 178.090 176.117 -0.004 0.000 1.129 214 I CA 1.233 62.532 61.300 -0.003 0.000 1.397 214 I CB 1.363 39.361 38.000 -0.004 0.000 1.399 214 I HN 0.353 nan 8.210 nan 0.000 0.537 215 T N 0.359 114.914 114.554 0.002 0.000 2.976 215 T HA 0.035 4.386 4.350 0.001 0.000 0.257 215 T C 0.711 175.414 174.700 0.004 0.000 1.051 215 T CA 0.194 62.295 62.100 0.001 0.000 1.141 215 T CB -0.032 68.838 68.868 0.002 0.000 0.881 215 T HN 0.455 nan 8.240 nan 0.000 0.461 216 D N 1.211 121.615 120.400 0.007 0.000 2.485 216 D HA 0.620 5.260 4.640 0.001 0.000 0.229 216 D C 1.211 177.522 176.300 0.018 0.000 1.101 216 D CA -0.332 53.674 54.000 0.010 0.000 0.906 216 D CB 0.966 41.770 40.800 0.007 0.000 1.019 216 D HN 0.213 nan 8.370 nan 0.000 0.516 217 A N 4.335 127.170 122.820 0.026 0.000 2.084 217 A HA -0.218 4.103 4.320 0.001 0.000 0.221 217 A C 1.904 179.514 177.584 0.044 0.000 1.161 217 A CA 1.289 53.355 52.037 0.049 0.000 0.653 217 A CB -0.252 18.788 19.000 0.066 0.000 0.802 217 A HN 0.565 nan 8.150 nan 0.000 0.457 218 K N -0.423 119.992 120.400 0.024 0.000 2.288 218 K HA -0.033 4.288 4.320 0.001 0.000 0.201 218 K C 1.259 177.862 176.600 0.004 0.000 1.048 218 K CA 0.940 57.234 56.287 0.012 0.000 0.956 218 K CB -0.056 32.448 32.500 0.007 0.000 0.746 218 K HN 0.385 nan 8.250 nan 0.000 0.461 219 K N 1.275 121.680 120.400 0.008 0.000 2.569 219 K HA 0.050 4.370 4.320 0.001 0.000 0.193 219 K C -0.352 176.251 176.600 0.005 0.000 1.026 219 K CA 0.081 56.370 56.287 0.002 0.000 1.093 219 K CB 0.332 32.834 32.500 0.004 0.000 0.849 219 K HN -0.102 nan 8.250 nan 0.000 0.509 220 V N 2.250 122.171 119.914 0.013 0.000 2.383 220 V HA 0.196 4.317 4.120 0.001 0.000 0.275 220 V C -0.150 175.921 176.094 -0.038 0.000 1.036 220 V CA -0.705 61.610 62.300 0.026 0.000 0.889 220 V CB 1.037 32.923 31.823 0.105 0.000 0.985 220 V HN 0.048 nan 8.190 nan 0.000 0.459 221 I N 5.144 125.662 120.570 -0.087 0.000 2.336 221 I HA 0.430 4.600 4.170 0.001 0.000 0.292 221 I C 0.757 176.780 176.117 -0.158 0.000 0.991 221 I CA 0.348 61.499 61.300 -0.248 0.000 1.227 221 I CB 1.960 39.568 38.000 -0.654 0.000 1.366 221 I HN 0.788 nan 8.210 nan 0.000 0.466 222 T N 1.182 115.645 114.554 -0.153 0.000 2.944 222 T HA 0.764 5.115 4.350 0.001 0.000 0.284 222 T C -0.159 174.502 174.700 -0.065 0.000 1.010 222 T CA -0.679 61.364 62.100 -0.096 0.000 1.025 222 T CB 1.834 70.615 68.868 -0.146 0.000 1.079 222 T HN 0.562 nan 8.240 nan 0.000 0.516 223 T N 1.917 116.466 114.554 -0.007 0.000 2.923 223 T HA 0.650 5.001 4.350 0.001 0.000 0.311 223 T C -3.168 171.506 174.700 -0.044 0.000 1.183 223 T CA -1.498 60.621 62.100 0.032 0.000 1.020 223 T CB 1.992 70.983 68.868 0.203 0.000 1.165 223 T HN 0.649 nan 8.240 nan 0.000 0.482 224 P HA 0.634 nan 4.420 nan 0.000 0.301 224 P C -1.361 175.894 177.300 -0.075 0.000 1.337 224 P CA -0.678 62.289 63.100 -0.221 0.000 0.889 224 P CB 1.327 32.732 31.700 -0.491 0.000 1.050 225 L N 1.647 122.831 121.223 -0.065 0.000 2.371 225 L HA 0.545 4.885 4.340 0.001 0.000 0.262 225 L C 0.889 177.716 176.870 -0.072 0.000 1.006 225 L CA -0.878 53.939 54.840 -0.039 0.000 0.818 225 L CB 2.187 44.248 42.059 0.004 0.000 1.354 225 L HN 0.326 nan 8.230 nan 0.000 0.415 226 T N -1.779 112.725 114.554 -0.083 0.000 2.860 226 T HA 0.229 4.580 4.350 0.001 0.000 0.299 226 T C 0.981 175.683 174.700 0.002 0.000 1.045 226 T CA -0.354 61.690 62.100 -0.094 0.000 1.071 226 T CB 1.543 70.339 68.868 -0.119 0.000 0.985 226 T HN 0.517 nan 8.240 nan 0.000 0.537 227 V N -1.555 118.331 119.914 -0.047 0.000 3.431 227 V HA 0.554 4.674 4.120 0.001 0.000 0.253 227 V C 1.329 177.503 176.094 0.133 0.000 1.184 227 V CA 0.730 63.012 62.300 -0.029 0.000 1.104 227 V CB -1.518 30.211 31.823 -0.156 0.000 0.799 227 V HN 1.658 nan 8.190 nan 0.000 0.462 228 G N 0.285 109.110 108.800 0.041 0.000 2.542 228 G HA2 -0.228 3.732 3.960 0.001 0.000 0.235 228 G HA3 -0.228 3.732 3.960 0.001 0.000 0.235 228 G C -0.742 174.146 174.900 -0.021 0.000 1.286 228 G CA 0.304 45.404 45.100 -0.000 0.000 0.904 228 G HN 1.561 nan 8.290 nan 0.000 0.577 229 Y N -0.645 119.414 120.300 -0.403 0.000 2.362 229 Y HA 0.646 5.196 4.550 0.001 0.000 0.326 229 Y C -0.619 174.778 175.900 -0.839 0.000 1.083 229 Y CA -1.328 56.501 58.100 -0.452 0.000 1.073 229 Y CB 1.083 39.298 38.460 -0.408 0.000 1.211 229 Y HN 0.556 nan 8.280 nan 0.000 0.433 230 F N 4.105 123.448 119.950 -1.012 0.000 2.814 230 F HA 0.219 4.747 4.527 0.001 0.000 0.326 230 F C 0.560 175.686 175.800 -1.123 0.000 1.159 230 F CA -0.555 56.922 58.000 -0.872 0.000 1.234 230 F CB 0.401 39.264 39.000 -0.229 0.000 1.016 230 F HN 0.610 nan 8.300 nan 0.000 0.510 231 D N 1.225 120.451 120.400 -1.956 0.000 2.737 231 D HA -0.215 4.425 4.640 0.001 0.000 0.233 231 D C 1.392 177.456 176.300 -0.393 0.000 1.155 231 D CA 1.517 54.883 54.000 -1.056 0.000 0.667 231 D CB -0.895 39.615 40.800 -0.484 0.000 1.060 231 D HN 0.767 nan 8.370 nan 0.000 0.427 232 G N -0.544 108.054 108.800 -0.337 0.000 2.217 232 G HA2 -0.414 3.546 3.960 0.001 0.000 0.246 232 G HA3 -0.414 3.546 3.960 0.001 0.000 0.246 232 G C 1.132 175.986 174.900 -0.077 0.000 0.990 232 G CA 0.688 45.707 45.100 -0.135 0.000 0.627 232 G HN 0.555 nan 8.290 nan 0.000 0.522 233 K N 0.686 121.052 120.400 -0.056 0.000 2.280 233 K HA -0.019 4.302 4.320 0.001 0.000 0.202 233 K C 1.878 178.431 176.600 -0.079 0.000 1.047 233 K CA 1.415 57.677 56.287 -0.041 0.000 0.942 233 K CB -0.118 32.380 32.500 -0.004 0.000 0.739 233 K HN 0.637 nan 8.250 nan 0.000 0.457 234 D N -0.426 119.939 120.400 -0.058 0.000 2.355 234 D HA -0.006 4.635 4.640 0.001 0.000 0.218 234 D C 0.852 177.127 176.300 -0.043 0.000 1.004 234 D CA 0.578 54.550 54.000 -0.047 0.000 0.880 234 D CB -0.176 40.627 40.800 0.005 0.000 0.911 234 D HN 0.150 nan 8.370 nan 0.000 0.528 235 G N 0.470 109.241 108.800 -0.048 0.000 2.324 235 G HA2 -0.202 3.758 3.960 0.001 0.000 0.292 235 G HA3 -0.202 3.758 3.960 0.001 0.000 0.292 235 G C -0.380 174.494 174.900 -0.043 0.000 1.079 235 G CA 0.214 45.288 45.100 -0.043 0.000 1.026 235 G HN 0.408 nan 8.290 nan 0.000 0.506 236 L N -0.380 120.817 121.223 -0.043 0.000 2.470 236 L HA 0.423 4.764 4.340 0.001 0.000 0.268 236 L C 0.440 177.295 176.870 -0.026 0.000 0.964 236 L CA -1.322 53.493 54.840 -0.042 0.000 0.839 236 L CB 1.961 43.987 42.059 -0.055 0.000 1.276 236 L HN 0.344 nan 8.230 nan 0.000 0.403 237 K N 1.178 121.568 120.400 -0.016 0.000 2.326 237 K HA 0.130 4.450 4.320 0.001 0.000 0.275 237 K C 0.475 177.092 176.600 0.027 0.000 1.018 237 K CA -0.544 55.746 56.287 0.004 0.000 0.962 237 K CB 1.072 33.573 32.500 0.002 0.000 0.953 237 K HN 0.371 nan 8.250 nan 0.000 0.475 238 Q N 1.653 121.486 119.800 0.056 0.000 2.297 238 Q HA -0.161 4.180 4.340 0.001 0.000 0.204 238 Q C 0.719 176.808 176.000 0.149 0.000 0.962 238 Q CA 2.025 57.885 55.803 0.095 0.000 0.879 238 Q CB -0.036 28.771 28.738 0.115 0.000 0.947 238 Q HN 0.870 nan 8.270 nan 0.000 0.462 239 D N -1.439 119.020 120.400 0.098 0.000 2.379 239 D HA 0.167 4.808 4.640 0.001 0.000 0.208 239 D C -0.022 176.297 176.300 0.031 0.000 1.065 239 D CA 0.350 54.389 54.000 0.065 0.000 0.848 239 D CB -0.201 40.602 40.800 0.006 0.000 0.949 239 D HN 0.192 nan 8.370 nan 0.000 0.509 240 A N 0.589 123.450 122.820 0.068 0.000 2.316 240 A HA 0.462 4.783 4.320 0.001 0.000 0.284 240 A C 0.195 177.831 177.584 0.087 0.000 1.115 240 A CA -0.735 51.315 52.037 0.021 0.000 0.812 240 A CB 0.384 19.380 19.000 -0.007 0.000 1.064 240 A HN 0.167 nan 8.150 nan 0.000 0.489 241 R N 2.425 122.930 120.500 0.008 0.000 2.309 241 R HA 0.413 4.754 4.340 0.001 0.000 0.331 241 R C -1.194 175.085 176.300 -0.035 0.000 1.116 241 R CA 0.101 56.215 56.100 0.023 0.000 0.970 241 R CB -0.426 29.846 30.300 -0.046 0.000 1.024 241 R HN 0.674 nan 8.270 nan 0.000 0.472 242 L N 5.396 126.586 121.223 -0.055 0.000 2.333 242 L HA 0.614 4.955 4.340 0.001 0.000 0.269 242 L C -0.535 176.255 176.870 -0.133 0.000 1.010 242 L CA -1.133 53.647 54.840 -0.100 0.000 0.818 242 L CB 1.840 43.834 42.059 -0.108 0.000 1.306 242 L HN 0.473 nan 8.230 nan 0.000 0.430 243 L N 1.306 122.438 121.223 -0.151 0.000 2.409 243 L HA 0.535 4.875 4.340 0.001 0.000 0.262 243 L C -0.682 176.069 176.870 -0.198 0.000 0.992 243 L CA -0.801 53.934 54.840 -0.176 0.000 0.817 243 L CB 2.776 44.726 42.059 -0.182 0.000 1.350 243 L HN 0.535 nan 8.230 nan 0.000 0.411 244 K N 0.804 121.066 120.400 -0.230 0.000 2.095 244 K HA 0.754 5.074 4.320 0.001 0.000 0.252 244 K C -1.303 175.196 176.600 -0.168 0.000 0.977 244 K CA -0.752 55.372 56.287 -0.270 0.000 0.900 244 K CB 2.333 34.501 32.500 -0.552 0.000 1.060 244 K HN 0.194 nan 8.250 nan 0.000 0.449 245 V N 3.273 123.103 119.914 -0.141 0.000 2.525 245 V HA 0.321 4.442 4.120 0.001 0.000 0.299 245 V C -0.810 175.253 176.094 -0.050 0.000 1.034 245 V CA -0.902 61.337 62.300 -0.101 0.000 0.863 245 V CB 1.489 33.224 31.823 -0.146 0.000 0.999 245 V HN 0.592 nan 8.190 nan 0.000 0.423 246 I N 3.210 123.756 120.570 -0.041 0.000 2.460 246 I HA 0.616 4.787 4.170 0.001 0.000 0.298 246 I C 0.386 176.422 176.117 -0.136 0.000 0.989 246 I CA 0.082 61.326 61.300 -0.093 0.000 1.173 246 I CB 2.118 40.051 38.000 -0.111 0.000 1.338 246 I HN 0.592 nan 8.210 nan 0.000 0.456 247 S N 5.141 120.696 115.700 -0.242 0.000 2.566 247 S HA 0.784 5.254 4.470 0.001 0.000 0.298 247 S C -1.280 173.029 174.600 -0.486 0.000 1.083 247 S CA -0.477 57.604 58.200 -0.199 0.000 0.978 247 S CB 2.000 65.244 63.200 0.074 0.000 1.073 247 S HN 0.352 nan 8.310 nan 0.000 0.491 248 Y N 0.387 120.704 120.300 0.028 0.000 2.553 248 Y HA 0.576 5.126 4.550 0.001 0.000 0.347 248 Y C -0.709 175.231 175.900 0.066 0.000 1.019 248 Y CA -1.059 57.095 58.100 0.089 0.000 1.032 248 Y CB 1.085 39.628 38.460 0.137 0.000 1.284 248 Y HN 0.469 nan 8.280 nan 0.000 0.466 249 L N 2.935 124.328 121.223 0.283 0.000 2.276 249 L HA 0.405 4.746 4.340 0.001 0.000 0.286 249 L C -0.558 176.393 176.870 0.136 0.000 1.061 249 L CA -0.260 54.675 54.840 0.159 0.000 0.807 249 L CB 0.618 42.746 42.059 0.115 0.000 1.177 249 L HN 0.620 nan 8.230 nan 0.000 0.429 250 D N 3.752 124.187 120.400 0.059 0.000 2.280 250 D HA 0.169 4.810 4.640 0.001 0.000 0.243 250 D C 0.136 176.414 176.300 -0.036 0.000 1.129 250 D CA -0.026 54.000 54.000 0.043 0.000 0.848 250 D CB 1.489 42.304 40.800 0.025 0.000 1.107 250 D HN 0.363 nan 8.370 nan 0.000 0.471 251 V N 3.113 122.964 119.914 -0.104 0.000 3.477 251 V HA 0.284 4.404 4.120 0.001 0.000 0.297 251 V C 1.644 177.691 176.094 -0.078 0.000 1.433 251 V CA 0.506 62.704 62.300 -0.169 0.000 1.052 251 V CB 0.239 31.781 31.823 -0.469 0.000 0.895 251 V HN 0.926 nan 8.190 nan 0.000 0.438 252 G N 1.953 110.735 108.800 -0.030 0.000 2.175 252 G HA2 -0.261 3.699 3.960 0.001 0.000 0.244 252 G HA3 -0.261 3.699 3.960 0.001 0.000 0.244 252 G C 0.483 175.375 174.900 -0.013 0.000 0.982 252 G CA 0.493 45.584 45.100 -0.014 0.000 0.641 252 G HN 0.677 nan 8.290 nan 0.000 0.527 253 D N 0.193 120.595 120.400 0.003 0.000 2.340 253 D HA 0.373 5.014 4.640 0.001 0.000 0.220 253 D C 1.844 178.103 176.300 -0.068 0.000 1.039 253 D CA 0.673 54.670 54.000 -0.005 0.000 0.866 253 D CB -0.628 40.213 40.800 0.069 0.000 0.913 253 D HN 1.583 nan 8.370 nan 0.000 0.523 254 G N 0.678 109.454 108.800 -0.039 0.000 2.168 254 G HA2 -0.331 3.630 3.960 0.001 0.000 0.263 254 G HA3 -0.331 3.630 3.960 0.001 0.000 0.263 254 G C 0.230 175.078 174.900 -0.087 0.000 0.977 254 G CA 0.238 45.283 45.100 -0.091 0.000 0.659 254 G HN 0.554 nan 8.290 nan 0.000 0.533 255 N N 0.066 118.787 118.700 0.036 0.000 2.765 255 N HA 0.365 5.106 4.740 0.001 0.000 0.277 255 N C 1.143 176.758 175.510 0.175 0.000 1.750 255 N CA -0.490 52.647 53.050 0.146 0.000 0.827 255 N CB -0.110 38.483 38.487 0.177 0.000 1.200 255 N HN 0.383 nan 8.380 nan 0.000 0.494 256 Y N -0.950 119.416 120.300 0.110 0.000 2.384 256 Y HA -0.003 4.548 4.550 0.001 0.000 0.289 256 Y C 1.206 177.103 175.900 -0.006 0.000 1.152 256 Y CA 0.552 58.701 58.100 0.083 0.000 1.258 256 Y CB -0.744 37.637 38.460 -0.132 0.000 0.979 256 Y HN 0.240 nan 8.280 nan 0.000 0.549 257 W N 1.130 122.220 121.300 -0.350 0.000 2.424 257 W HA 0.006 4.667 4.660 0.001 0.000 0.264 257 W C 2.162 178.763 176.519 0.136 0.000 1.229 257 W CA 1.153 58.293 57.345 -0.342 0.000 1.208 257 W CB -0.158 29.101 29.460 -0.335 0.000 1.127 257 W HN 0.186 nan 8.180 nan 0.000 0.588 258 A N -0.774 122.222 122.820 0.294 0.000 2.302 258 A HA 0.067 4.388 4.320 0.001 0.000 0.219 258 A C 0.179 177.602 177.584 -0.268 0.000 1.243 258 A CA 0.336 52.484 52.037 0.185 0.000 0.856 258 A CB -0.634 18.358 19.000 -0.013 0.000 0.893 258 A HN 0.362 nan 8.150 nan 0.000 0.491 259 H N 0.300 119.647 119.070 0.462 0.000 2.511 259 H HA 0.199 4.756 4.556 0.001 0.000 0.228 259 H C -3.013 172.552 175.328 0.396 0.000 1.424 259 H CA -1.719 54.548 56.048 0.365 0.000 1.321 259 H CB 0.129 30.057 29.762 0.278 0.000 1.720 259 H HN 0.317 nan 8.280 nan 0.000 0.512 260 P HA 0.085 nan 4.420 nan 0.000 0.269 260 P C 0.380 177.729 177.300 0.081 0.000 1.209 260 P CA -0.037 63.168 63.100 0.175 0.000 0.776 260 P CB 1.544 33.365 31.700 0.203 0.000 0.876 261 I N 1.828 122.363 120.570 -0.057 0.000 2.310 261 I HA 0.215 4.385 4.170 0.001 0.000 0.287 261 I C 0.914 177.008 176.117 -0.039 0.000 1.073 261 I CA -0.554 60.730 61.300 -0.027 0.000 1.216 261 I CB 0.385 38.355 38.000 -0.049 0.000 1.415 261 I HN 0.292 nan 8.210 nan 0.000 0.480 262 E N 5.883 126.095 120.200 0.019 0.000 2.343 262 E HA 0.190 4.540 4.350 0.001 0.000 0.269 262 E C 0.270 176.896 176.600 0.043 0.000 1.047 262 E CA 0.187 56.621 56.400 0.057 0.000 0.874 262 E CB 0.466 30.234 29.700 0.113 0.000 1.033 262 E HN 0.450 nan 8.360 nan 0.000 0.409 263 N N 1.497 120.238 118.700 0.069 0.000 2.818 263 N HA -0.215 4.526 4.740 0.001 0.000 0.250 263 N C -1.262 174.254 175.510 0.010 0.000 1.108 263 N CA 0.594 53.680 53.050 0.060 0.000 0.745 263 N CB -1.391 37.130 38.487 0.057 0.000 1.104 263 N HN 0.320 nan 8.380 nan 0.000 0.557 264 L N 0.232 121.444 121.223 -0.018 0.000 2.372 264 L HA 0.620 4.961 4.340 0.001 0.000 0.274 264 L C -0.981 175.882 176.870 -0.011 0.000 0.988 264 L CA -0.746 54.066 54.840 -0.046 0.000 0.833 264 L CB 2.015 44.004 42.059 -0.116 0.000 1.236 264 L HN -0.112 nan 8.230 nan 0.000 0.410 265 V N 4.588 124.505 119.914 0.005 0.000 2.531 265 V HA 0.867 4.987 4.120 0.001 0.000 0.301 265 V C 0.032 176.136 176.094 0.017 0.000 1.034 265 V CA -0.401 61.898 62.300 -0.002 0.000 0.865 265 V CB 1.544 33.336 31.823 -0.051 0.000 0.995 265 V HN 0.921 nan 8.190 nan 0.000 0.424 266 A N 4.486 127.334 122.820 0.047 0.000 2.324 266 A HA 0.869 5.190 4.320 0.001 0.000 0.330 266 A C -0.663 176.865 177.584 -0.093 0.000 1.165 266 A CA -0.553 51.502 52.037 0.029 0.000 0.813 266 A CB 1.476 20.519 19.000 0.072 0.000 1.197 266 A HN 0.684 nan 8.150 nan 0.000 0.484 267 V N 2.886 122.738 119.914 -0.104 0.000 2.398 267 V HA 0.407 4.528 4.120 0.001 0.000 0.286 267 V C -0.237 175.786 176.094 -0.118 0.000 1.026 267 V CA -0.420 61.793 62.300 -0.145 0.000 0.868 267 V CB 1.282 33.019 31.823 -0.142 0.000 0.982 267 V HN 0.620 nan 8.190 nan 0.000 0.443 268 V N 3.712 123.546 119.914 -0.132 0.000 2.459 268 V HA 0.390 4.511 4.120 0.001 0.000 0.295 268 V C -0.168 175.864 176.094 -0.103 0.000 1.029 268 V CA -0.611 61.619 62.300 -0.117 0.000 0.874 268 V CB 1.931 33.673 31.823 -0.134 0.000 0.985 268 V HN 0.859 nan 8.190 nan 0.000 0.438 269 D N 3.708 124.058 120.400 -0.083 0.000 2.313 269 D HA 0.284 4.925 4.640 0.001 0.000 0.239 269 D C 0.798 177.056 176.300 -0.071 0.000 1.142 269 D CA -0.141 53.816 54.000 -0.072 0.000 0.847 269 D CB 1.721 42.486 40.800 -0.057 0.000 1.082 269 D HN 0.441 nan 8.370 nan 0.000 0.480 270 L N 2.935 124.114 121.223 -0.074 0.000 2.240 270 L HA -0.026 4.315 4.340 0.001 0.000 0.211 270 L C 2.192 179.025 176.870 -0.061 0.000 1.106 270 L CA 0.573 55.370 54.840 -0.072 0.000 0.793 270 L CB 0.092 42.103 42.059 -0.079 0.000 0.927 270 L HN 0.459 nan 8.230 nan 0.000 0.446 271 E N -0.027 120.136 120.200 -0.061 0.000 2.042 271 E HA -0.165 4.186 4.350 0.001 0.000 0.189 271 E C 1.970 178.544 176.600 -0.042 0.000 0.974 271 E CA 0.754 57.121 56.400 -0.054 0.000 0.806 271 E CB 0.054 29.717 29.700 -0.062 0.000 0.769 271 E HN 0.545 nan 8.360 nan 0.000 0.451 272 Q N 0.676 120.451 119.800 -0.042 0.000 2.500 272 Q HA -0.052 4.289 4.340 0.001 0.000 0.213 272 Q C -0.139 175.839 176.000 -0.036 0.000 0.974 272 Q CA 0.331 56.113 55.803 -0.035 0.000 0.918 272 Q CB -0.108 28.609 28.738 -0.034 0.000 0.980 272 Q HN 0.104 nan 8.270 nan 0.000 0.505 273 K N 1.237 121.611 120.400 -0.043 0.000 3.156 273 K HA -0.243 4.078 4.320 0.001 0.000 0.266 273 K C -0.610 175.962 176.600 -0.047 0.000 0.966 273 K CA 1.003 57.263 56.287 -0.045 0.000 0.719 273 K CB -1.481 30.998 32.500 -0.035 0.000 1.333 273 K HN 0.373 nan 8.250 nan 0.000 0.468 274 K N -1.290 119.078 120.400 -0.053 0.000 2.578 274 K HA 0.467 4.788 4.320 0.001 0.000 0.287 274 K C -0.766 175.797 176.600 -0.060 0.000 1.010 274 K CA -1.121 55.134 56.287 -0.053 0.000 0.889 274 K CB 1.108 33.586 32.500 -0.038 0.000 1.514 274 K HN 0.011 nan 8.250 nan 0.000 0.424 275 I N 3.110 123.646 120.570 -0.057 0.000 2.436 275 I HA 0.001 4.171 4.170 0.001 0.000 0.289 275 I C 1.036 177.131 176.117 -0.038 0.000 1.083 275 I CA -0.429 60.839 61.300 -0.053 0.000 1.372 275 I CB 1.288 39.269 38.000 -0.032 0.000 1.408 275 I HN 0.603 nan 8.210 nan 0.000 0.516 276 V N 2.574 122.460 119.914 -0.046 0.000 3.660 276 V HA 0.319 4.440 4.120 0.001 0.000 0.276 276 V C 0.458 176.530 176.094 -0.037 0.000 1.317 276 V CA 0.235 62.511 62.300 -0.040 0.000 1.097 276 V CB -0.435 31.361 31.823 -0.045 0.000 0.863 276 V HN 0.783 nan 8.190 nan 0.000 0.438 277 K N 0.470 120.847 120.400 -0.038 0.000 2.583 277 K HA 0.579 4.900 4.320 0.001 0.000 0.260 277 K C -2.010 174.577 176.600 -0.022 0.000 0.931 277 K CA -0.663 55.604 56.287 -0.035 0.000 0.849 277 K CB 2.480 34.949 32.500 -0.053 0.000 1.347 277 K HN 0.220 nan 8.250 nan 0.000 0.425 278 I N 3.852 124.418 120.570 -0.007 0.000 2.411 278 I HA 0.237 4.407 4.170 0.001 0.000 0.284 278 I C -0.448 175.661 176.117 -0.013 0.000 1.012 278 I CA -0.692 60.613 61.300 0.008 0.000 1.119 278 I CB 1.815 39.830 38.000 0.024 0.000 1.261 278 I HN 0.508 nan 8.210 nan 0.000 0.448 279 E N 6.521 126.710 120.200 -0.018 0.000 2.227 279 E HA 0.417 4.768 4.350 0.001 0.000 0.282 279 E C -0.793 175.801 176.600 -0.010 0.000 1.015 279 E CA -0.501 55.893 56.400 -0.011 0.000 0.823 279 E CB 1.682 31.381 29.700 -0.003 0.000 1.081 279 E HN 0.504 nan 8.360 nan 0.000 0.396 280 E N 1.276 121.469 120.200 -0.011 0.000 2.272 280 E HA 0.483 4.834 4.350 0.001 0.000 0.269 280 E C -0.472 176.127 176.600 -0.002 0.000 0.877 280 E CA -0.717 55.673 56.400 -0.018 0.000 0.755 280 E CB 2.270 31.948 29.700 -0.037 0.000 1.192 280 E HN 0.575 nan 8.360 nan 0.000 0.422 281 G N 1.972 110.776 108.800 0.007 0.000 3.175 281 G HA2 0.597 4.557 3.960 0.001 0.000 0.255 281 G HA3 0.597 4.557 3.960 0.001 0.000 0.255 281 G C -2.644 172.262 174.900 0.010 0.000 1.352 281 G CA -1.330 43.781 45.100 0.019 0.000 1.037 281 G HN 0.233 nan 8.290 nan 0.000 0.556 282 P HA 0.245 nan 4.420 nan 0.000 0.269 282 P C -0.322 176.984 177.300 0.010 0.000 1.217 282 P CA -0.390 62.716 63.100 0.011 0.000 0.783 282 P CB 0.770 32.481 31.700 0.018 0.000 0.898 283 V N 2.927 122.843 119.914 0.004 0.000 2.461 283 V HA 0.143 4.264 4.120 0.001 0.000 0.275 283 V C 0.213 176.315 176.094 0.013 0.000 1.047 283 V CA -0.038 62.263 62.300 0.001 0.000 0.955 283 V CB 1.139 32.958 31.823 -0.006 0.000 0.988 283 V HN 0.203 nan 8.190 nan 0.000 0.471 284 V N 7.689 127.616 119.914 0.021 0.000 2.407 284 V HA 0.357 4.477 4.120 0.001 0.000 0.291 284 V C -2.232 173.885 176.094 0.038 0.000 1.018 284 V CA -1.936 60.383 62.300 0.032 0.000 0.842 284 V CB 1.717 33.568 31.823 0.045 0.000 0.996 284 V HN 0.760 nan 8.190 nan 0.000 0.426 285 P HA 0.019 nan 4.420 nan 0.000 0.263 285 P C -0.216 177.127 177.300 0.072 0.000 1.175 285 P CA 0.121 63.249 63.100 0.047 0.000 0.761 285 P CB 0.282 32.008 31.700 0.044 0.000 0.794 286 V N 6.363 126.327 119.914 0.084 0.000 2.585 286 V HA 0.051 4.172 4.120 0.001 0.000 0.296 286 V C -1.814 174.378 176.094 0.164 0.000 1.035 286 V CA -1.084 61.293 62.300 0.128 0.000 1.084 286 V CB -0.216 31.688 31.823 0.135 0.000 0.953 286 V HN 0.558 nan 8.190 nan 0.000 0.483 287 P HA 0.175 nan 4.420 nan 0.000 0.266 287 P C 0.400 177.940 177.300 0.400 0.000 1.215 287 P CA 0.144 63.385 63.100 0.236 0.000 0.763 287 P CB 0.470 32.286 31.700 0.193 0.000 0.806 288 M N 0.022 119.815 119.600 0.322 0.000 2.538 288 M HA 0.068 4.549 4.480 0.001 0.000 0.259 288 M C 0.458 176.949 176.300 0.319 0.000 1.217 288 M CA 0.630 56.106 55.300 0.293 0.000 1.131 288 M CB -0.848 31.835 32.600 0.137 0.000 1.382 288 M HN 0.148 nan 8.290 nan 0.000 0.520 289 T N 2.664 117.399 114.554 0.301 0.000 2.933 289 T HA 0.222 4.573 4.350 0.001 0.000 0.306 289 T C 0.428 175.330 174.700 0.336 0.000 1.045 289 T CA -0.067 62.188 62.100 0.258 0.000 1.143 289 T CB 0.472 69.480 68.868 0.233 0.000 1.003 289 T HN 0.353 nan 8.240 nan 0.000 0.540 290 A N 4.304 127.255 122.820 0.218 0.000 2.492 290 A HA 0.353 4.673 4.320 0.001 0.000 0.254 290 A C 0.757 178.438 177.584 0.162 0.000 1.091 290 A CA -0.277 51.877 52.037 0.196 0.000 0.768 290 A CB 0.175 19.232 19.000 0.095 0.000 1.028 290 A HN 0.761 nan 8.150 nan 0.000 0.498 291 R N 3.268 123.860 120.500 0.154 0.000 2.653 291 R HA 0.229 4.570 4.340 0.001 0.000 0.269 291 R C -3.027 173.248 176.300 -0.041 0.000 1.603 291 R CA -1.453 54.661 56.100 0.024 0.000 1.671 291 R CB 1.033 31.316 30.300 -0.028 0.000 1.300 291 R HN 0.542 nan 8.270 nan 0.000 0.668 292 P HA -0.007 nan 4.420 nan 0.000 0.268 292 P C 0.148 177.348 177.300 -0.165 0.000 1.205 292 P CA 0.037 63.025 63.100 -0.187 0.000 0.771 292 P CB 0.292 31.895 31.700 -0.162 0.000 0.858 293 F N 0.292 120.168 119.950 -0.124 0.000 2.678 293 F HA 0.239 4.766 4.527 0.001 0.000 0.305 293 F C 0.950 176.694 175.800 -0.093 0.000 1.090 293 F CA -0.380 57.536 58.000 -0.140 0.000 1.272 293 F CB -0.663 38.226 39.000 -0.185 0.000 1.060 293 F HN 0.103 nan 8.300 nan 0.000 0.576 294 D N -0.216 119.997 120.400 -0.312 0.000 2.339 294 D HA 0.243 4.883 4.640 0.001 0.000 0.217 294 D C 1.868 178.123 176.300 -0.076 0.000 1.050 294 D CA 0.585 54.488 54.000 -0.162 0.000 0.856 294 D CB 0.115 40.753 40.800 -0.269 0.000 0.922 294 D HN 0.437 nan 8.370 nan 0.000 0.518 295 G N 1.612 110.372 108.800 -0.067 0.000 2.194 295 G HA2 -0.399 3.562 3.960 0.001 0.000 0.236 295 G HA3 -0.399 3.562 3.960 0.001 0.000 0.236 295 G C 1.285 176.158 174.900 -0.045 0.000 0.987 295 G CA 0.348 45.424 45.100 -0.039 0.000 0.635 295 G HN 0.546 nan 8.290 nan 0.000 0.520 296 R N 0.822 121.281 120.500 -0.068 0.000 2.105 296 R HA -0.073 4.268 4.340 0.001 0.000 0.239 296 R C 1.578 177.856 176.300 -0.036 0.000 1.135 296 R CA 2.110 58.177 56.100 -0.055 0.000 0.967 296 R CB -0.583 29.675 30.300 -0.070 0.000 0.861 296 R HN 0.436 nan 8.270 nan 0.000 0.442 297 D N -0.045 120.334 120.400 -0.035 0.000 2.342 297 D HA 0.051 4.692 4.640 0.001 0.000 0.221 297 D C -0.085 176.208 176.300 -0.012 0.000 1.101 297 D CA -0.145 53.844 54.000 -0.018 0.000 0.837 297 D CB 0.151 40.942 40.800 -0.014 0.000 0.938 297 D HN 0.028 nan 8.370 nan 0.000 0.508 298 R N 0.195 120.686 120.500 -0.014 0.000 2.732 298 R HA 0.506 4.847 4.340 0.001 0.000 0.278 298 R C -0.477 175.820 176.300 -0.005 0.000 0.976 298 R CA -1.085 55.010 56.100 -0.008 0.000 0.963 298 R CB 1.869 32.164 30.300 -0.009 0.000 1.150 298 R HN -0.105 nan 8.270 nan 0.000 0.478 299 V N 1.656 121.569 119.914 -0.001 0.000 2.555 299 V HA 0.237 4.358 4.120 0.001 0.000 0.286 299 V C 0.559 176.653 176.094 -0.001 0.000 1.044 299 V CA -0.546 61.754 62.300 -0.000 0.000 1.026 299 V CB 1.225 33.049 31.823 0.002 0.000 0.981 299 V HN 0.822 nan 8.190 nan 0.000 0.480 300 A N 7.772 130.591 122.820 -0.001 0.000 2.391 300 A HA 0.636 4.957 4.320 0.001 0.000 0.316 300 A C -1.350 176.234 177.584 0.002 0.000 1.381 300 A CA -1.166 50.871 52.037 -0.000 0.000 0.998 300 A CB -0.463 18.536 19.000 -0.001 0.000 1.147 300 A HN 0.767 nan 8.150 nan 0.000 0.545 301 P HA 0.337 nan 4.420 nan 0.000 0.271 301 P C 0.054 177.356 177.300 0.003 0.000 1.244 301 P CA -0.223 62.878 63.100 0.003 0.000 0.793 301 P CB 0.597 32.299 31.700 0.003 0.000 0.984 302 A N 0.842 123.664 122.820 0.003 0.000 2.440 302 A HA 0.461 4.782 4.320 0.001 0.000 0.251 302 A C 0.000 177.586 177.584 0.002 0.000 1.089 302 A CA -0.334 51.705 52.037 0.003 0.000 0.779 302 A CB -0.163 18.839 19.000 0.003 0.000 1.022 302 A HN 0.331 nan 8.150 nan 0.000 0.492 303 V N 2.326 122.241 119.914 0.003 0.000 2.656 303 V HA 0.368 4.488 4.120 0.001 0.000 0.307 303 V C -0.022 176.073 176.094 0.002 0.000 1.051 303 V CA -1.144 61.157 62.300 0.002 0.000 0.893 303 V CB 1.556 33.380 31.823 0.002 0.000 0.999 303 V HN 0.907 nan 8.190 nan 0.000 0.426 304 K N 3.824 124.225 120.400 0.000 0.000 2.326 304 K HA 0.367 4.687 4.320 0.001 0.000 0.275 304 K C -2.175 174.427 176.600 0.002 0.000 1.018 304 K CA -1.165 55.122 56.287 0.000 0.000 0.962 304 K CB 0.467 32.965 32.500 -0.003 0.000 0.953 304 K HN 0.573 nan 8.250 nan 0.000 0.475 305 P HA -0.006 nan 4.420 nan 0.000 0.269 305 P C -0.937 176.367 177.300 0.007 0.000 1.209 305 P CA 0.076 63.181 63.100 0.009 0.000 0.776 305 P CB 0.622 32.331 31.700 0.015 0.000 0.876 306 M N 2.018 121.623 119.600 0.008 0.000 2.267 306 M HA 0.282 4.762 4.480 0.001 0.000 0.289 306 M C -1.443 174.865 176.300 0.014 0.000 1.043 306 M CA -0.344 54.959 55.300 0.006 0.000 0.928 306 M CB 2.115 34.714 32.600 -0.001 0.000 1.613 306 M HN 0.319 nan 8.290 nan 0.000 0.450 307 Q N 4.630 124.443 119.800 0.022 0.000 2.356 307 Q HA 0.594 4.935 4.340 0.001 0.000 0.270 307 Q C -1.346 174.674 176.000 0.034 0.000 1.058 307 Q CA -0.661 55.165 55.803 0.037 0.000 0.802 307 Q CB 3.197 31.974 28.738 0.065 0.000 1.303 307 Q HN 0.727 nan 8.270 nan 0.000 0.444 308 I N 4.554 125.146 120.570 0.036 0.000 2.307 308 I HA 0.373 4.543 4.170 0.001 0.000 0.289 308 I C -0.079 176.072 176.117 0.058 0.000 1.021 308 I CA -0.570 60.752 61.300 0.036 0.000 1.224 308 I CB 0.346 38.365 38.000 0.033 0.000 1.376 308 I HN 0.483 nan 8.210 nan 0.000 0.470 309 I N 2.561 123.152 120.570 0.036 0.000 2.530 309 I HA 0.585 4.755 4.170 0.001 0.000 0.297 309 I C -0.697 175.372 176.117 -0.080 0.000 1.011 309 I CA -0.547 60.760 61.300 0.013 0.000 1.107 309 I CB 2.054 40.064 38.000 0.015 0.000 1.285 309 I HN 0.527 nan 8.210 nan 0.000 0.436 310 E N 6.248 126.376 120.200 -0.119 0.000 2.795 310 E HA 0.274 4.624 4.350 0.001 0.000 0.226 310 E C -2.118 174.316 176.600 -0.277 0.000 1.088 310 E CA -1.540 54.778 56.400 -0.136 0.000 0.812 310 E CB 1.354 31.037 29.700 -0.028 0.000 1.328 310 E HN 0.563 nan 8.360 nan 0.000 0.410 311 P HA -0.071 nan 4.420 nan 0.000 0.236 311 P C 0.277 177.437 177.300 -0.234 0.000 1.177 311 P CA 0.734 63.354 63.100 -0.799 0.000 0.773 311 P CB 0.387 31.541 31.700 -0.910 0.000 0.878 312 E N -0.023 120.095 120.200 -0.136 0.000 2.451 312 E HA 0.370 4.721 4.350 0.001 0.000 0.194 312 E C 0.851 177.431 176.600 -0.032 0.000 1.027 312 E CA -0.064 56.306 56.400 -0.050 0.000 0.914 312 E CB 0.066 29.739 29.700 -0.044 0.000 1.054 312 E HN 0.164 nan 8.360 nan 0.000 0.461 313 G N 1.450 110.230 108.800 -0.033 0.000 2.526 313 G HA2 -0.173 3.788 3.960 0.001 0.000 0.250 313 G HA3 -0.173 3.788 3.960 0.001 0.000 0.250 313 G C -0.840 174.005 174.900 -0.091 0.000 1.289 313 G CA -0.967 44.112 45.100 -0.035 0.000 0.947 313 G HN -0.042 nan 8.290 nan 0.000 0.517 314 K N 0.285 120.572 120.400 -0.188 0.000 2.109 314 K HA 0.483 4.804 4.320 0.001 0.000 0.243 314 K C 0.909 177.352 176.600 -0.261 0.000 1.006 314 K CA -0.999 55.062 56.287 -0.375 0.000 0.917 314 K CB 0.685 32.581 32.500 -1.006 0.000 1.081 314 K HN 0.456 nan 8.250 nan 0.000 0.468 315 N N 0.501 119.109 118.700 -0.154 0.000 2.353 315 N HA 0.008 4.749 4.740 0.001 0.000 0.185 315 N C -0.294 175.339 175.510 0.204 0.000 1.098 315 N CA 0.288 53.380 53.050 0.070 0.000 0.872 315 N CB 0.188 38.803 38.487 0.214 0.000 0.970 315 N HN 0.465 nan 8.380 nan 0.000 0.467 316 Y N -0.949 119.492 120.300 0.235 0.000 2.496 316 Y HA 0.683 5.234 4.550 0.001 0.000 0.331 316 Y C 0.163 176.088 175.900 0.042 0.000 1.140 316 Y CA -1.052 57.154 58.100 0.176 0.000 1.166 316 Y CB 0.568 39.067 38.460 0.066 0.000 1.249 316 Y HN -0.349 nan 8.280 nan 0.000 0.479 317 T N 3.303 117.977 114.554 0.200 0.000 2.863 317 T HA 0.574 4.924 4.350 0.001 0.000 0.285 317 T C -0.687 174.008 174.700 -0.009 0.000 1.009 317 T CA -0.641 61.494 62.100 0.058 0.000 0.989 317 T CB 1.000 69.918 68.868 0.082 0.000 1.004 317 T HN 0.573 nan 8.240 nan 0.000 0.455 318 I N 2.965 123.448 120.570 -0.146 0.000 2.390 318 I HA 0.283 4.454 4.170 0.001 0.000 0.283 318 I C -0.145 175.934 176.117 -0.064 0.000 1.016 318 I CA -0.605 60.577 61.300 -0.197 0.000 1.151 318 I CB 1.338 39.072 38.000 -0.445 0.000 1.293 318 I HN 0.522 nan 8.210 nan 0.000 0.458 319 T N 5.059 119.597 114.554 -0.026 0.000 2.801 319 T HA 0.508 4.859 4.350 0.001 0.000 0.306 319 T C 0.853 175.575 174.700 0.037 0.000 1.020 319 T CA 0.222 62.342 62.100 0.033 0.000 0.948 319 T CB 1.461 70.350 68.868 0.035 0.000 0.962 319 T HN 1.016 nan 8.240 nan 0.000 0.465 320 G N 4.296 113.138 108.800 0.070 0.000 2.602 320 G HA2 -0.301 3.660 3.960 0.001 0.000 0.310 320 G HA3 -0.301 3.660 3.960 0.001 0.000 0.310 320 G C 0.401 175.291 174.900 -0.016 0.000 1.183 320 G CA 0.553 45.683 45.100 0.049 0.000 0.979 320 G HN 0.643 nan 8.290 nan 0.000 0.545 321 D N 1.169 121.493 120.400 -0.126 0.000 2.398 321 D HA 0.231 4.871 4.640 0.001 0.000 0.210 321 D C 1.226 177.261 176.300 -0.441 0.000 1.094 321 D CA 0.107 53.905 54.000 -0.337 0.000 0.839 321 D CB 0.170 40.603 40.800 -0.612 0.000 0.963 321 D HN 0.411 nan 8.370 nan 0.000 0.506 322 M N 1.032 120.485 119.600 -0.245 0.000 2.217 322 M HA 0.288 4.769 4.480 0.001 0.000 0.354 322 M C 0.045 176.171 176.300 -0.290 0.000 1.225 322 M CA 0.257 55.421 55.300 -0.226 0.000 1.137 322 M CB 1.619 34.209 32.600 -0.018 0.000 1.576 322 M HN -0.287 nan 8.290 nan 0.000 0.461 323 I N 2.068 122.323 120.570 -0.525 0.000 2.406 323 I HA 0.294 4.464 4.170 0.001 0.000 0.290 323 I C -0.676 175.211 176.117 -0.382 0.000 0.999 323 I CA -0.706 60.248 61.300 -0.577 0.000 1.124 323 I CB 1.506 38.853 38.000 -1.088 0.000 1.289 323 I HN 0.648 nan 8.210 nan 0.000 0.441 324 H N 5.663 124.638 119.070 -0.158 0.000 2.489 324 H HA 0.521 5.077 4.556 0.001 0.000 0.343 324 H C -1.948 173.512 175.328 0.220 0.000 1.086 324 H CA -0.600 55.459 56.048 0.018 0.000 1.198 324 H CB 1.452 31.227 29.762 0.022 0.000 1.490 324 H HN 0.601 nan 8.280 nan 0.000 0.504 325 W N 8.212 129.142 121.300 -0.616 0.000 3.473 325 W HA 0.350 5.011 4.660 0.001 0.000 0.324 325 W C -0.633 175.743 176.519 -0.239 0.000 1.099 325 W CA -0.511 56.638 57.345 -0.327 0.000 1.277 325 W CB 0.586 30.032 29.460 -0.025 0.000 1.216 325 W HN 1.044 nan 8.180 nan 0.000 0.423 326 R N 1.752 121.805 120.500 -0.745 0.000 3.869 326 R HA -0.352 3.989 4.340 0.001 0.000 0.424 326 R C 0.627 176.657 176.300 -0.449 0.000 0.241 326 R CA 1.960 57.667 56.100 -0.656 0.000 1.351 326 R CB -1.161 28.549 30.300 -0.984 0.000 0.979 326 R HN 0.576 nan 8.270 nan 0.000 0.572 327 N N 0.229 118.605 118.700 -0.539 0.000 2.398 327 N HA 0.056 4.796 4.740 0.001 0.000 0.188 327 N C -0.301 174.857 175.510 -0.586 0.000 1.122 327 N CA 0.555 53.199 53.050 -0.677 0.000 0.866 327 N CB 0.081 37.824 38.487 -1.241 0.000 0.970 327 N HN 0.180 nan 8.380 nan 0.000 0.462 328 W N 1.129 122.333 121.300 -0.160 0.000 2.449 328 W HA 0.375 5.036 4.660 0.001 0.000 0.331 328 W C 0.017 176.610 176.519 0.124 0.000 1.119 328 W CA -0.636 56.757 57.345 0.080 0.000 1.240 328 W CB 1.194 30.815 29.460 0.269 0.000 1.251 328 W HN -0.226 nan 8.180 nan 0.000 0.576 329 D N 2.486 123.202 120.400 0.525 0.000 2.879 329 D HA 0.480 5.121 4.640 0.001 0.000 0.236 329 D C -1.058 175.501 176.300 0.432 0.000 1.171 329 D CA -0.393 53.828 54.000 0.368 0.000 0.868 329 D CB 2.448 43.437 40.800 0.315 0.000 1.598 329 D HN 0.273 nan 8.370 nan 0.000 0.497 330 F N -1.246 118.741 119.950 0.062 0.000 2.713 330 F HA 0.400 4.927 4.527 0.001 0.000 0.311 330 F C -1.472 174.292 175.800 -0.060 0.000 1.141 330 F CA -1.014 56.983 58.000 -0.006 0.000 0.939 330 F CB 1.844 40.765 39.000 -0.132 0.000 1.325 330 F HN 0.198 nan 8.300 nan 0.000 0.453 331 H N 2.147 121.185 119.070 -0.053 0.000 2.466 331 H HA 0.670 5.227 4.556 0.001 0.000 0.338 331 H C -1.991 173.242 175.328 -0.159 0.000 1.091 331 H CA -0.742 55.151 56.048 -0.258 0.000 1.207 331 H CB 2.146 31.628 29.762 -0.466 0.000 1.466 331 H HN 0.819 nan 8.280 nan 0.000 0.493 332 L N 5.109 126.000 121.223 -0.553 0.000 2.343 332 L HA 0.363 4.703 4.340 0.001 0.000 0.278 332 L C -0.977 175.655 176.870 -0.397 0.000 0.996 332 L CA -0.178 54.467 54.840 -0.325 0.000 0.831 332 L CB 1.207 43.145 42.059 -0.201 0.000 1.232 332 L HN 0.686 nan 8.230 nan 0.000 0.413 333 S N 4.140 119.680 115.700 -0.268 0.000 2.697 333 S HA 0.880 5.350 4.470 0.001 0.000 0.289 333 S C -0.785 173.693 174.600 -0.204 0.000 1.149 333 S CA -0.901 57.179 58.200 -0.201 0.000 0.850 333 S CB 1.700 64.854 63.200 -0.076 0.000 1.151 333 S HN 0.665 nan 8.310 nan 0.000 0.491 334 M N 2.382 121.884 119.600 -0.162 0.000 2.465 334 M HA 0.543 5.024 4.480 0.001 0.000 0.316 334 M C -1.271 174.947 176.300 -0.136 0.000 1.121 334 M CA -0.485 54.703 55.300 -0.186 0.000 0.934 334 M CB 1.840 34.357 32.600 -0.137 0.000 1.692 334 M HN 0.894 nan 8.290 nan 0.000 0.444 335 N N 1.194 119.801 118.700 -0.156 0.000 2.225 335 N HA 0.299 5.039 4.740 0.001 0.000 0.298 335 N C -0.068 175.412 175.510 -0.049 0.000 1.076 335 N CA 0.069 53.069 53.050 -0.084 0.000 0.792 335 N CB 1.802 40.240 38.487 -0.082 0.000 1.498 335 N HN 0.849 nan 8.380 nan 0.000 0.474 336 S N 2.896 118.602 115.700 0.010 0.000 2.423 336 S HA -0.106 4.365 4.470 0.001 0.000 0.231 336 S C 1.685 176.335 174.600 0.082 0.000 1.014 336 S CA 0.616 58.852 58.200 0.059 0.000 0.965 336 S CB 0.040 63.286 63.200 0.076 0.000 0.785 336 S HN 0.691 nan 8.310 nan 0.000 0.495 337 R N 0.933 121.467 120.500 0.057 0.000 2.055 337 R HA 0.071 4.412 4.340 0.001 0.000 0.221 337 R C 2.035 178.387 176.300 0.086 0.000 1.154 337 R CA 1.583 57.719 56.100 0.061 0.000 0.975 337 R CB -0.093 30.212 30.300 0.009 0.000 0.869 337 R HN 0.474 nan 8.270 nan 0.000 0.437 338 V N -2.346 117.590 119.914 0.036 0.000 3.578 338 V HA 0.448 4.568 4.120 0.001 0.000 0.290 338 V C 0.809 176.729 176.094 -0.291 0.000 1.376 338 V CA 0.369 62.661 62.300 -0.013 0.000 1.083 338 V CB 0.039 31.871 31.823 0.016 0.000 0.911 338 V HN 0.635 nan 8.190 nan 0.000 0.433 339 G N 1.414 109.961 108.800 -0.422 0.000 2.498 339 G HA2 -0.185 3.775 3.960 0.001 0.000 0.251 339 G HA3 -0.185 3.775 3.960 0.001 0.000 0.251 339 G C -2.620 171.786 174.900 -0.823 0.000 1.170 339 G CA -0.140 44.329 45.100 -1.052 0.000 0.944 339 G HN 0.598 nan 8.290 nan 0.000 0.567 340 P HA 0.428 nan 4.420 nan 0.000 0.271 340 P C -0.456 176.524 177.300 -0.534 0.000 1.216 340 P CA 0.457 63.183 63.100 -0.624 0.000 0.776 340 P CB 0.634 32.004 31.700 -0.551 0.000 0.881 341 M N 3.553 122.888 119.600 -0.442 0.000 2.142 341 M HA 0.381 4.862 4.480 0.001 0.000 0.299 341 M C -0.504 175.559 176.300 -0.395 0.000 0.960 341 M CA -0.630 54.422 55.300 -0.413 0.000 0.920 341 M CB 1.810 34.238 32.600 -0.286 0.000 1.541 341 M HN 0.106 nan 8.290 nan 0.000 0.429 342 I N 2.731 122.996 120.570 -0.510 0.000 2.312 342 I HA 0.435 4.606 4.170 0.001 0.000 0.290 342 I C -0.170 175.781 176.117 -0.277 0.000 1.008 342 I CA -0.037 61.040 61.300 -0.371 0.000 1.226 342 I CB 0.955 38.634 38.000 -0.535 0.000 1.371 342 I HN 0.611 nan 8.210 nan 0.000 0.468 343 S N 2.976 118.578 115.700 -0.165 0.000 2.634 343 S HA 0.497 4.968 4.470 0.001 0.000 0.296 343 S C 0.097 174.586 174.600 -0.185 0.000 1.104 343 S CA -0.630 57.388 58.200 -0.302 0.000 0.920 343 S CB 1.863 64.815 63.200 -0.413 0.000 1.111 343 S HN 0.800 nan 8.310 nan 0.000 0.493 344 T N -1.663 112.638 114.554 -0.422 0.000 3.549 344 T HA -0.155 4.195 4.350 0.001 0.000 0.398 344 T C -0.123 174.733 174.700 0.260 0.000 0.766 344 T CA 0.055 61.959 62.100 -0.327 0.000 2.007 344 T CB -2.553 66.180 68.868 -0.225 0.000 1.727 344 T HN 0.496 nan 8.240 nan 0.000 0.693 345 V N 2.663 122.796 119.914 0.366 0.000 2.427 345 V HA 0.588 4.708 4.120 0.001 0.000 0.268 345 V C 1.239 177.705 176.094 0.621 0.000 1.046 345 V CA 0.154 62.745 62.300 0.485 0.000 0.970 345 V CB 0.792 32.834 31.823 0.366 0.000 1.001 345 V HN 0.987 nan 8.190 nan 0.000 0.476 346 T N 2.108 117.027 114.554 0.608 0.000 2.932 346 T HA 0.642 4.993 4.350 0.001 0.000 0.289 346 T C -1.062 173.930 174.700 0.486 0.000 1.039 346 T CA -0.743 61.660 62.100 0.505 0.000 1.024 346 T CB 1.846 70.945 68.868 0.385 0.000 1.090 346 T HN 0.399 nan 8.240 nan 0.000 0.496 347 Y N 2.161 122.590 120.300 0.215 0.000 2.328 347 Y HA 0.445 4.996 4.550 0.001 0.000 0.333 347 Y C -0.025 175.933 175.900 0.097 0.000 0.958 347 Y CA -1.294 56.806 58.100 -0.000 0.000 1.167 347 Y CB 1.204 39.599 38.460 -0.109 0.000 1.151 347 Y HN 0.785 nan 8.280 nan 0.000 0.470 348 N N 4.901 123.541 118.700 -0.101 0.000 2.400 348 N HA -0.031 4.710 4.740 0.001 0.000 0.267 348 N C -1.213 174.361 175.510 0.105 0.000 1.208 348 N CA 0.395 53.447 53.050 0.004 0.000 0.951 348 N CB 0.132 38.577 38.487 -0.070 0.000 1.227 348 N HN 0.632 nan 8.380 nan 0.000 0.488 349 D N 3.263 123.821 120.400 0.263 0.000 2.456 349 D HA 0.160 4.800 4.640 0.001 0.000 0.219 349 D C -0.291 176.094 176.300 0.142 0.000 1.126 349 D CA -0.179 54.001 54.000 0.299 0.000 0.890 349 D CB -0.216 40.788 40.800 0.341 0.000 1.025 349 D HN 0.385 nan 8.370 nan 0.000 0.511 350 N N 3.293 122.051 118.700 0.097 0.000 2.707 350 N HA -0.230 4.510 4.740 0.001 0.000 0.253 350 N C 1.039 176.571 175.510 0.037 0.000 0.998 350 N CA 1.418 54.499 53.050 0.050 0.000 0.751 350 N CB -1.019 37.497 38.487 0.049 0.000 0.920 350 N HN 0.801 nan 8.380 nan 0.000 0.539 351 G N -2.802 106.019 108.800 0.035 0.000 2.259 351 G HA2 -0.254 3.706 3.960 0.001 0.000 0.217 351 G HA3 -0.254 3.706 3.960 0.001 0.000 0.217 351 G C 0.074 174.992 174.900 0.031 0.000 1.001 351 G CA 0.253 45.367 45.100 0.024 0.000 0.627 351 G HN 0.481 nan 8.290 nan 0.000 0.501 352 T N 2.753 117.335 114.554 0.047 0.000 2.758 352 T HA 0.518 4.869 4.350 0.001 0.000 0.285 352 T C 0.035 174.782 174.700 0.079 0.000 0.981 352 T CA -0.451 61.676 62.100 0.045 0.000 0.965 352 T CB 1.633 70.518 68.868 0.029 0.000 0.927 352 T HN 0.279 nan 8.240 nan 0.000 0.448 353 K N 3.907 124.353 120.400 0.076 0.000 2.378 353 K HA 0.205 4.526 4.320 0.001 0.000 0.288 353 K C 0.235 176.899 176.600 0.108 0.000 1.057 353 K CA -0.007 56.349 56.287 0.115 0.000 0.971 353 K CB 0.736 33.307 32.500 0.118 0.000 0.975 353 K HN 0.403 nan 8.250 nan 0.000 0.475 354 R N 2.840 123.450 120.500 0.183 0.000 2.407 354 R HA 0.204 4.545 4.340 0.001 0.000 0.303 354 R C -0.299 176.127 176.300 0.209 0.000 0.981 354 R CA -0.798 55.402 56.100 0.167 0.000 0.905 354 R CB 1.396 31.818 30.300 0.204 0.000 1.099 354 R HN 0.345 nan 8.270 nan 0.000 0.459 355 K N 1.172 121.597 120.400 0.043 0.000 2.448 355 K HA 0.039 4.359 4.320 0.001 0.000 0.278 355 K C 0.331 177.046 176.600 0.191 0.000 1.009 355 K CA -0.107 56.173 56.287 -0.012 0.000 0.995 355 K CB 0.945 33.234 32.500 -0.353 0.000 0.917 355 K HN 0.328 nan 8.250 nan 0.000 0.481 356 V N 2.182 122.241 119.914 0.241 0.000 3.058 356 V HA 0.145 4.265 4.120 0.001 0.000 0.233 356 V C -0.060 176.077 176.094 0.072 0.000 1.255 356 V CA 0.088 62.419 62.300 0.051 0.000 1.267 356 V CB 0.420 32.262 31.823 0.032 0.000 1.049 356 V HN 0.770 nan 8.190 nan 0.000 0.486 357 M N -1.093 118.658 119.600 0.251 0.000 2.224 357 M HA 0.356 4.836 4.480 0.001 0.000 0.281 357 M C -0.136 176.349 176.300 0.308 0.000 1.025 357 M CA -0.589 54.834 55.300 0.205 0.000 0.954 357 M CB 2.109 34.748 32.600 0.065 0.000 1.639 357 M HN 0.266 nan 8.290 nan 0.000 0.461 358 Y N 3.442 123.871 120.300 0.216 0.000 2.243 358 Y HA 0.269 4.819 4.550 0.001 0.000 0.293 358 Y C -0.114 175.691 175.900 -0.159 0.000 1.124 358 Y CA 1.557 59.646 58.100 -0.017 0.000 1.159 358 Y CB 0.569 39.023 38.460 -0.011 0.000 1.008 358 Y HN 0.710 nan 8.280 nan 0.000 0.527 359 E N -0.699 119.340 120.200 -0.267 0.000 2.347 359 E HA 0.454 4.805 4.350 0.001 0.000 0.285 359 E C -1.454 175.026 176.600 -0.201 0.000 0.925 359 E CA -0.384 55.804 56.400 -0.352 0.000 0.779 359 E CB 1.584 31.066 29.700 -0.363 0.000 1.233 359 E HN 0.306 nan 8.360 nan 0.000 0.414 360 G N 1.303 109.950 108.800 -0.255 0.000 2.617 360 G HA2 0.658 4.618 3.960 0.001 0.000 0.306 360 G HA3 0.658 4.618 3.960 0.001 0.000 0.306 360 G C -0.933 173.761 174.900 -0.344 0.000 1.360 360 G CA -0.205 44.784 45.100 -0.185 0.000 0.983 360 G HN 0.468 nan 8.290 nan 0.000 0.496 361 S N 0.833 116.498 115.700 -0.058 0.000 2.661 361 S HA 0.619 5.090 4.470 0.001 0.000 0.268 361 S C -1.076 173.746 174.600 0.369 0.000 1.162 361 S CA -0.809 57.371 58.200 -0.035 0.000 0.817 361 S CB 1.113 64.206 63.200 -0.179 0.000 1.141 361 S HN 1.364 nan 8.310 nan 0.000 0.477 362 L N 2.057 123.455 121.223 0.292 0.000 2.490 362 L HA 0.575 4.916 4.340 0.001 0.000 0.274 362 L C 1.271 178.158 176.870 0.029 0.000 1.201 362 L CA 1.281 56.193 54.840 0.120 0.000 0.869 362 L CB 0.300 42.301 42.059 -0.097 0.000 1.123 362 L HN 0.997 nan 8.230 nan 0.000 0.484 363 G N 2.945 111.740 108.800 -0.009 0.000 2.439 363 G HA2 0.460 4.421 3.960 0.001 0.000 0.212 363 G HA3 0.460 4.421 3.960 0.001 0.000 0.212 363 G C 0.408 175.344 174.900 0.061 0.000 1.199 363 G CA 0.516 45.647 45.100 0.050 0.000 0.807 363 G HN 1.125 nan 8.290 nan 0.000 0.537 364 G N -1.210 107.545 108.800 -0.075 0.000 2.451 364 G HA2 0.556 4.517 3.960 0.001 0.000 0.292 364 G HA3 0.556 4.517 3.960 0.001 0.000 0.292 364 G C -1.122 173.736 174.900 -0.071 0.000 1.427 364 G CA -0.281 44.767 45.100 -0.087 0.000 0.792 364 G HN 0.832 nan 8.290 nan 0.000 0.498 365 M N -0.781 118.839 119.600 0.035 0.000 2.569 365 M HA 0.882 5.363 4.480 0.001 0.000 0.279 365 M C -1.929 174.478 176.300 0.178 0.000 1.253 365 M CA -1.051 54.318 55.300 0.114 0.000 0.867 365 M CB 2.692 35.306 32.600 0.024 0.000 1.727 365 M HN 0.708 nan 8.290 nan 0.000 0.467 366 I N 1.858 122.516 120.570 0.146 0.000 2.686 366 I HA 0.664 4.835 4.170 0.001 0.000 0.295 366 I C -1.733 174.404 176.117 0.034 0.000 1.114 366 I CA -0.969 60.407 61.300 0.127 0.000 1.038 366 I CB 2.507 40.591 38.000 0.139 0.000 1.238 366 I HN 0.670 nan 8.210 nan 0.000 0.420 367 V N 8.258 128.236 119.914 0.107 0.000 2.320 367 V HA 0.403 4.523 4.120 0.001 0.000 0.268 367 V C -2.429 173.750 176.094 0.143 0.000 1.021 367 V CA -1.136 61.194 62.300 0.051 0.000 0.813 367 V CB 0.896 32.777 31.823 0.096 0.000 1.054 367 V HN 0.540 nan 8.190 nan 0.000 0.444 368 P HA 0.481 nan 4.420 nan 0.000 0.294 368 P C -1.351 176.062 177.300 0.188 0.000 1.294 368 P CA -0.441 62.836 63.100 0.295 0.000 0.827 368 P CB 1.682 33.655 31.700 0.455 0.000 0.992 369 Y N 0.409 120.859 120.300 0.250 0.000 2.545 369 Y HA 0.568 5.118 4.550 0.001 0.000 0.324 369 Y C 1.859 177.810 175.900 0.085 0.000 1.220 369 Y CA 0.242 58.452 58.100 0.184 0.000 1.290 369 Y CB 1.157 39.763 38.460 0.243 0.000 1.355 369 Y HN 0.488 nan 8.280 nan 0.000 0.516 370 G N -0.690 108.201 108.800 0.152 0.000 3.441 370 G HA2 0.022 3.983 3.960 0.001 0.000 0.263 370 G HA3 0.022 3.983 3.960 0.001 0.000 0.263 370 G C -0.752 174.071 174.900 -0.128 0.000 1.014 370 G CA -0.031 45.036 45.100 -0.055 0.000 0.833 370 G HN 0.465 nan 8.290 nan 0.000 0.514 371 D N 0.966 121.296 120.400 -0.118 0.000 2.193 371 D HA 0.307 4.947 4.640 0.001 0.000 0.244 371 D C -1.578 174.589 176.300 -0.222 0.000 1.064 371 D CA -1.971 51.764 54.000 -0.442 0.000 0.845 371 D CB 3.081 43.601 40.800 -0.467 0.000 1.148 371 D HN 0.009 nan 8.370 nan 0.000 0.464 372 P HA 0.098 nan 4.420 nan 0.000 0.251 372 P C -0.181 177.146 177.300 0.044 0.000 1.223 372 P CA -0.121 62.916 63.100 -0.105 0.000 0.796 372 P CB 0.726 32.309 31.700 -0.195 0.000 1.068 373 D N 0.562 120.994 120.400 0.052 0.000 2.352 373 D HA 0.002 4.642 4.640 0.001 0.000 0.238 373 D C 1.900 178.432 176.300 0.386 0.000 1.286 373 D CA -0.116 53.990 54.000 0.177 0.000 0.923 373 D CB 0.613 41.514 40.800 0.168 0.000 1.146 373 D HN 0.062 nan 8.370 nan 0.000 0.471 374 I N -2.256 118.514 120.570 0.334 0.000 2.315 374 I HA -0.021 4.149 4.170 0.001 0.000 0.248 374 I C 1.794 178.121 176.117 0.350 0.000 1.117 374 I CA 1.383 62.925 61.300 0.403 0.000 1.404 374 I CB -0.571 37.565 38.000 0.227 0.000 1.071 374 I HN 0.277 nan 8.210 nan 0.000 0.419 375 G N -0.474 108.470 108.800 0.240 0.000 2.776 375 G HA2 -0.068 3.893 3.960 0.001 0.000 0.209 375 G HA3 -0.068 3.893 3.960 0.001 0.000 0.209 375 G C 0.689 175.224 174.900 -0.608 0.000 1.145 375 G CA 0.191 45.242 45.100 -0.080 0.000 0.791 375 G HN 0.666 nan 8.290 nan 0.000 0.530 376 W N -1.921 119.267 121.300 -0.186 0.000 2.926 376 W HA 0.206 4.867 4.660 0.001 0.000 0.221 376 W C 1.910 178.176 176.519 -0.422 0.000 1.030 376 W CA -0.368 56.744 57.345 -0.388 0.000 1.330 376 W CB -0.186 29.165 29.460 -0.182 0.000 0.787 376 W HN 0.216 nan 8.180 nan 0.000 0.736 377 Y N -0.106 120.190 120.300 -0.007 0.000 2.373 377 Y HA -0.040 4.511 4.550 0.001 0.000 0.293 377 Y C 1.705 177.703 175.900 0.163 0.000 1.129 377 Y CA 0.936 59.082 58.100 0.076 0.000 1.226 377 Y CB -1.654 36.834 38.460 0.046 0.000 1.000 377 Y HN 0.014 nan 8.280 nan 0.000 0.549 378 F N 0.102 119.851 119.950 -0.334 0.000 2.776 378 F HA 0.380 4.907 4.527 0.001 0.000 0.300 378 F C 0.743 176.584 175.800 0.068 0.000 1.116 378 F CA -1.224 56.763 58.000 -0.021 0.000 1.375 378 F CB -0.464 38.326 39.000 -0.350 0.000 1.109 378 F HN -0.218 nan 8.300 nan 0.000 0.585 379 K N 2.214 122.219 120.400 -0.659 0.000 2.363 379 K HA 0.528 4.848 4.320 0.001 0.000 0.289 379 K C -0.759 175.887 176.600 0.076 0.000 1.063 379 K CA 0.122 56.127 56.287 -0.471 0.000 0.967 379 K CB 0.096 32.205 32.500 -0.651 0.000 0.987 379 K HN 0.347 nan 8.250 nan 0.000 0.473 380 A N 5.538 128.417 122.820 0.098 0.000 2.768 380 A HA 0.188 4.508 4.320 0.001 0.000 0.298 380 A C -1.581 176.122 177.584 0.199 0.000 1.159 380 A CA -0.661 51.508 52.037 0.221 0.000 0.783 380 A CB 0.173 19.272 19.000 0.164 0.000 1.333 380 A HN 0.680 nan 8.150 nan 0.000 0.412 381 Y N 1.495 121.918 120.300 0.205 0.000 2.677 381 Y HA 0.211 4.761 4.550 0.001 0.000 0.335 381 Y C 0.411 176.427 175.900 0.193 0.000 1.162 381 Y CA 0.423 58.654 58.100 0.219 0.000 1.483 381 Y CB 0.484 39.046 38.460 0.169 0.000 1.209 381 Y HN 0.520 nan 8.280 nan 0.000 0.528 382 L N 5.145 126.572 121.223 0.340 0.000 2.397 382 L HA 0.142 4.483 4.340 0.001 0.000 0.263 382 L C 1.000 178.063 176.870 0.321 0.000 1.136 382 L CA 0.121 55.114 54.840 0.255 0.000 1.019 382 L CB -0.003 42.145 42.059 0.150 0.000 1.352 382 L HN 0.649 nan 8.230 nan 0.000 0.420 383 D N 0.004 120.593 120.400 0.314 0.000 2.104 383 D HA -0.187 4.453 4.640 0.001 0.000 0.194 383 D C 1.946 178.434 176.300 0.312 0.000 0.994 383 D CA 1.932 56.141 54.000 0.349 0.000 0.830 383 D CB 0.262 41.186 40.800 0.206 0.000 0.959 383 D HN 0.582 nan 8.370 nan 0.000 0.452 384 S N 0.136 115.958 115.700 0.202 0.000 2.362 384 S HA -0.012 4.459 4.470 0.001 0.000 0.221 384 S C 2.267 176.917 174.600 0.083 0.000 1.032 384 S CA 1.120 59.419 58.200 0.166 0.000 0.973 384 S CB -0.800 62.480 63.200 0.133 0.000 0.849 384 S HN 0.252 nan 8.310 nan 0.000 0.465 385 G N 1.720 110.529 108.800 0.014 0.000 2.404 385 G HA2 -0.136 3.824 3.960 0.001 0.000 0.215 385 G HA3 -0.136 3.824 3.960 0.001 0.000 0.215 385 G C 1.099 175.965 174.900 -0.058 0.000 1.174 385 G CA 1.065 46.101 45.100 -0.106 0.000 0.780 385 G HN 0.487 nan 8.290 nan 0.000 0.537 386 D N -1.156 119.260 120.400 0.025 0.000 2.271 386 D HA 0.079 4.719 4.640 0.001 0.000 0.206 386 D C 1.407 177.594 176.300 -0.188 0.000 0.967 386 D CA 0.585 54.527 54.000 -0.096 0.000 0.867 386 D CB 0.102 40.825 40.800 -0.128 0.000 0.960 386 D HN 0.466 nan 8.370 nan 0.000 0.509 387 Y N -0.579 119.803 120.300 0.136 0.000 2.430 387 Y HA 0.349 4.899 4.550 0.001 0.000 0.254 387 Y C 0.996 176.999 175.900 0.172 0.000 1.088 387 Y CA 0.089 58.307 58.100 0.197 0.000 1.267 387 Y CB 1.092 39.727 38.460 0.292 0.000 1.204 387 Y HN -0.108 nan 8.280 nan 0.000 0.515 388 G N 1.385 110.340 108.800 0.259 0.000 2.788 388 G HA2 -0.258 3.703 3.960 0.001 0.000 0.249 388 G HA3 -0.258 3.703 3.960 0.001 0.000 0.249 388 G C 0.367 175.422 174.900 0.258 0.000 1.008 388 G CA 0.174 45.395 45.100 0.203 0.000 1.220 388 G HN 0.297 nan 8.290 nan 0.000 0.506 389 M N 1.161 120.937 119.600 0.294 0.000 2.288 389 M HA 0.068 4.549 4.480 0.001 0.000 0.266 389 M C 2.710 179.329 176.300 0.531 0.000 1.072 389 M CA 2.003 57.543 55.300 0.400 0.000 1.132 389 M CB -0.052 32.840 32.600 0.486 0.000 1.386 389 M HN 0.655 nan 8.290 nan 0.000 0.432 390 G N -0.191 108.862 108.800 0.421 0.000 2.446 390 G HA2 -0.204 3.757 3.960 0.001 0.000 0.217 390 G HA3 -0.204 3.757 3.960 0.001 0.000 0.217 390 G C 1.426 176.501 174.900 0.292 0.000 1.168 390 G CA 1.534 46.839 45.100 0.342 0.000 0.771 390 G HN 0.348 nan 8.290 nan 0.000 0.551 391 T N 1.168 115.854 114.554 0.220 0.000 2.737 391 T HA -0.041 4.310 4.350 0.001 0.000 0.269 391 T C 1.979 176.790 174.700 0.185 0.000 1.040 391 T CA 0.745 62.955 62.100 0.182 0.000 1.142 391 T CB -0.145 68.825 68.868 0.170 0.000 0.861 391 T HN 0.130 nan 8.240 nan 0.000 0.456 392 L N 1.323 122.674 121.223 0.213 0.000 2.685 392 L HA 0.149 4.489 4.340 0.001 0.000 0.233 392 L C 0.600 177.559 176.870 0.149 0.000 1.173 392 L CA -0.275 54.660 54.840 0.159 0.000 0.961 392 L CB -0.560 41.594 42.059 0.158 0.000 1.217 392 L HN 0.106 nan 8.230 nan 0.000 0.478 393 T N 0.441 115.138 114.554 0.238 0.000 2.903 393 T HA -0.067 4.283 4.350 0.001 0.000 0.299 393 T C 0.650 175.409 174.700 0.098 0.000 1.041 393 T CA 0.555 62.796 62.100 0.236 0.000 1.138 393 T CB 0.436 69.558 68.868 0.422 0.000 1.040 393 T HN 0.139 nan 8.240 nan 0.000 0.524 394 S N 5.442 121.149 115.700 0.011 0.000 2.422 394 S HA 0.358 4.829 4.470 0.001 0.000 0.308 394 S C -2.199 172.418 174.600 0.029 0.000 1.097 394 S CA -1.201 57.001 58.200 0.003 0.000 1.099 394 S CB 1.019 64.187 63.200 -0.052 0.000 0.976 394 S HN 0.457 nan 8.310 nan 0.000 0.471 395 P HA 0.046 nan 4.420 nan 0.000 0.264 395 P C -0.247 177.074 177.300 0.036 0.000 1.183 395 P CA -0.139 62.991 63.100 0.051 0.000 0.763 395 P CB 0.258 31.981 31.700 0.039 0.000 0.807 396 I N 2.121 122.722 120.570 0.052 0.000 2.668 396 I HA 0.015 4.186 4.170 0.001 0.000 0.285 396 I C 0.926 177.054 176.117 0.018 0.000 1.168 396 I CA 0.107 61.432 61.300 0.042 0.000 1.424 396 I CB -0.116 37.926 38.000 0.071 0.000 1.377 396 I HN 0.367 nan 8.210 nan 0.000 0.560 397 A N 8.045 130.868 122.820 0.005 0.000 2.350 397 A HA 0.234 4.555 4.320 0.001 0.000 0.293 397 A C 0.682 178.260 177.584 -0.010 0.000 1.231 397 A CA -0.513 51.521 52.037 -0.004 0.000 0.883 397 A CB 0.026 19.021 19.000 -0.008 0.000 1.133 397 A HN 0.797 nan 8.150 nan 0.000 0.533 398 R N 2.250 122.743 120.500 -0.011 0.000 2.522 398 R HA 0.308 4.648 4.340 0.001 0.000 0.284 398 R C 1.399 177.686 176.300 -0.021 0.000 1.032 398 R CA 1.564 57.656 56.100 -0.014 0.000 1.049 398 R CB 0.044 30.333 30.300 -0.018 0.000 0.956 398 R HN 1.528 nan 8.270 nan 0.000 0.422 399 G N 3.396 112.175 108.800 -0.035 0.000 2.267 399 G HA2 -0.362 3.598 3.960 0.001 0.000 0.257 399 G HA3 -0.362 3.598 3.960 0.001 0.000 0.257 399 G C 0.684 175.557 174.900 -0.045 0.000 0.998 399 G CA 0.782 45.858 45.100 -0.039 0.000 0.620 399 G HN 0.647 nan 8.290 nan 0.000 0.529 400 K N -0.717 119.660 120.400 -0.038 0.000 2.266 400 K HA 0.202 4.523 4.320 0.001 0.000 0.209 400 K C 1.499 178.078 176.600 -0.035 0.000 1.065 400 K CA 0.503 56.770 56.287 -0.033 0.000 0.946 400 K CB 0.029 32.517 32.500 -0.021 0.000 1.069 400 K HN 0.079 nan 8.250 nan 0.000 0.472 401 D N 0.651 121.035 120.400 -0.027 0.000 2.317 401 D HA 0.058 4.698 4.640 0.001 0.000 0.211 401 D C 0.008 176.298 176.300 -0.017 0.000 0.966 401 D CA 0.572 54.566 54.000 -0.011 0.000 0.876 401 D CB 0.439 41.239 40.800 -0.001 0.000 0.927 401 D HN 0.216 nan 8.370 nan 0.000 0.519 402 A N 0.164 122.933 122.820 -0.085 0.000 2.594 402 A HA 0.595 4.915 4.320 0.001 0.000 0.291 402 A C -2.710 174.684 177.584 -0.316 0.000 1.105 402 A CA -1.292 50.594 52.037 -0.251 0.000 0.694 402 A CB 1.508 20.406 19.000 -0.169 0.000 1.291 402 A HN -0.222 nan 8.150 nan 0.000 0.410 403 P HA 0.124 nan 4.420 nan 0.000 0.272 403 P C 0.959 178.146 177.300 -0.188 0.000 1.223 403 P CA 0.343 63.240 63.100 -0.337 0.000 0.784 403 P CB 0.922 32.375 31.700 -0.412 0.000 0.923 404 S N 0.850 116.501 115.700 -0.082 0.000 2.462 404 S HA -0.198 4.273 4.470 0.001 0.000 0.243 404 S C 1.186 175.805 174.600 0.032 0.000 1.003 404 S CA 1.199 59.392 58.200 -0.011 0.000 0.970 404 S CB -1.144 62.065 63.200 0.016 0.000 0.762 404 S HN 0.650 nan 8.310 nan 0.000 0.510 405 N N 1.918 120.635 118.700 0.028 0.000 2.268 405 N HA 0.296 5.036 4.740 0.001 0.000 0.204 405 N C 0.199 175.799 175.510 0.150 0.000 1.124 405 N CA 0.298 53.406 53.050 0.098 0.000 0.838 405 N CB -0.152 38.401 38.487 0.110 0.000 0.994 405 N HN 0.512 nan 8.380 nan 0.000 0.489 406 A N 0.338 123.220 122.820 0.103 0.000 2.313 406 A HA 0.542 4.862 4.320 0.001 0.000 0.261 406 A C -0.188 177.523 177.584 0.210 0.000 1.090 406 A CA -0.446 51.704 52.037 0.189 0.000 0.807 406 A CB 0.871 19.927 19.000 0.094 0.000 1.055 406 A HN 0.063 nan 8.150 nan 0.000 0.492 407 V N 1.642 121.713 119.914 0.261 0.000 2.459 407 V HA 0.387 4.508 4.120 0.001 0.000 0.295 407 V C -0.394 175.829 176.094 0.215 0.000 1.029 407 V CA -0.288 62.167 62.300 0.258 0.000 0.874 407 V CB 1.320 33.344 31.823 0.336 0.000 0.985 407 V HN 0.675 nan 8.190 nan 0.000 0.438 408 L N 6.120 127.453 121.223 0.183 0.000 2.305 408 L HA 0.587 4.928 4.340 0.001 0.000 0.284 408 L C -0.639 176.315 176.870 0.139 0.000 1.013 408 L CA -0.427 54.497 54.840 0.140 0.000 0.819 408 L CB 1.448 43.557 42.059 0.083 0.000 1.227 408 L HN 0.402 nan 8.230 nan 0.000 0.417 409 L N 3.122 124.430 121.223 0.140 0.000 2.343 409 L HA 0.486 4.827 4.340 0.001 0.000 0.275 409 L C -0.068 176.846 176.870 0.072 0.000 1.056 409 L CA -0.755 54.158 54.840 0.122 0.000 0.804 409 L CB 0.979 43.112 42.059 0.124 0.000 1.203 409 L HN 0.568 nan 8.230 nan 0.000 0.440 410 N N 1.836 120.558 118.700 0.037 0.000 2.492 410 N HA 0.435 5.176 4.740 0.001 0.000 0.289 410 N C -0.700 174.823 175.510 0.020 0.000 1.133 410 N CA -0.544 52.521 53.050 0.025 0.000 0.961 410 N CB 1.873 40.359 38.487 -0.002 0.000 1.186 410 N HN 0.522 nan 8.380 nan 0.000 0.493 411 E N 0.321 120.536 120.200 0.024 0.000 2.356 411 E HA 0.398 4.749 4.350 0.001 0.000 0.275 411 E C -0.906 175.701 176.600 0.012 0.000 0.904 411 E CA -0.577 55.828 56.400 0.008 0.000 0.757 411 E CB 2.214 31.915 29.700 0.001 0.000 1.232 411 E HN 0.333 nan 8.360 nan 0.000 0.442 412 T N 2.536 117.089 114.554 -0.002 0.000 2.792 412 T HA 0.659 5.010 4.350 0.001 0.000 0.280 412 T C 0.276 174.975 174.700 -0.002 0.000 0.990 412 T CA -0.549 61.552 62.100 0.000 0.000 0.960 412 T CB 0.436 69.299 68.868 -0.007 0.000 0.939 412 T HN 0.435 nan 8.240 nan 0.000 0.439 413 I N -0.351 120.225 120.570 0.009 0.000 3.322 413 I HA 0.985 5.156 4.170 0.001 0.000 0.313 413 I C -0.695 175.426 176.117 0.008 0.000 1.129 413 I CA -1.870 59.436 61.300 0.011 0.000 0.963 413 I CB 1.767 39.785 38.000 0.031 0.000 1.273 413 I HN 0.591 nan 8.210 nan 0.000 0.473 414 A N 2.002 124.827 122.820 0.008 0.000 2.309 414 A HA 0.530 4.850 4.320 0.001 0.000 0.298 414 A C -0.560 177.046 177.584 0.037 0.000 1.165 414 A CA -0.392 51.640 52.037 -0.008 0.000 0.821 414 A CB 0.303 19.278 19.000 -0.042 0.000 1.102 414 A HN 0.853 nan 8.150 nan 0.000 0.500 415 D N 0.617 121.032 120.400 0.025 0.000 2.447 415 D HA 0.090 4.730 4.640 0.001 0.000 0.265 415 D C 0.733 177.102 176.300 0.114 0.000 1.250 415 D CA 0.100 54.148 54.000 0.080 0.000 1.046 415 D CB -0.055 40.772 40.800 0.044 0.000 1.095 415 D HN 0.622 nan 8.370 nan 0.000 0.555 416 Y N -2.584 117.802 120.300 0.144 0.000 2.571 416 Y HA 0.083 4.633 4.550 0.001 0.000 0.294 416 Y C 1.618 177.712 175.900 0.323 0.000 1.141 416 Y CA 0.953 59.176 58.100 0.206 0.000 1.308 416 Y CB -0.874 37.674 38.460 0.146 0.000 1.002 416 Y HN 0.339 nan 8.280 nan 0.000 0.551 417 T N -3.608 110.778 114.554 -0.279 0.000 3.145 417 T HA 0.494 4.845 4.350 0.001 0.000 0.255 417 T C 1.490 176.271 174.700 0.136 0.000 1.039 417 T CA 0.122 62.215 62.100 -0.012 0.000 0.928 417 T CB -0.222 68.492 68.868 -0.258 0.000 1.029 417 T HN 0.812 nan 8.240 nan 0.000 0.554 418 G N 0.626 109.418 108.800 -0.014 0.000 2.157 418 G HA2 -0.217 3.744 3.960 0.001 0.000 0.248 418 G HA3 -0.217 3.744 3.960 0.001 0.000 0.248 418 G C -0.030 174.725 174.900 -0.243 0.000 0.979 418 G CA -0.089 44.761 45.100 -0.416 0.000 0.650 418 G HN 0.682 nan 8.290 nan 0.000 0.529 419 V N 1.915 121.745 119.914 -0.139 0.000 2.439 419 V HA 0.467 4.588 4.120 0.001 0.000 0.282 419 V C -1.512 174.540 176.094 -0.071 0.000 1.039 419 V CA -1.630 60.611 62.300 -0.099 0.000 0.913 419 V CB 1.647 33.423 31.823 -0.079 0.000 0.983 419 V HN 0.079 nan 8.190 nan 0.000 0.460 420 P HA 0.143 nan 4.420 nan 0.000 0.267 420 P C -0.581 176.708 177.300 -0.018 0.000 1.200 420 P CA 0.113 63.191 63.100 -0.038 0.000 0.772 420 P CB 0.353 32.031 31.700 -0.036 0.000 0.855 421 M N 1.851 121.449 119.600 -0.003 0.000 2.183 421 M HA 0.283 4.763 4.480 0.001 0.000 0.277 421 M C -1.105 175.207 176.300 0.019 0.000 0.995 421 M CA -0.502 54.806 55.300 0.014 0.000 0.969 421 M CB 1.742 34.360 32.600 0.030 0.000 1.659 421 M HN 0.220 nan 8.290 nan 0.000 0.462 422 E N 5.264 125.474 120.200 0.017 0.000 2.146 422 E HA 0.442 4.792 4.350 0.001 0.000 0.282 422 E C -1.403 175.215 176.600 0.030 0.000 0.989 422 E CA -0.497 55.913 56.400 0.018 0.000 0.799 422 E CB 1.140 30.845 29.700 0.008 0.000 1.088 422 E HN 0.751 nan 8.360 nan 0.000 0.397 423 I N 7.774 128.368 120.570 0.041 0.000 2.304 423 I HA 0.263 4.434 4.170 0.001 0.000 0.291 423 I C -2.023 174.124 176.117 0.050 0.000 1.018 423 I CA -2.228 59.107 61.300 0.059 0.000 1.260 423 I CB 1.300 39.354 38.000 0.091 0.000 1.390 423 I HN 0.376 nan 8.210 nan 0.000 0.475 424 P HA 0.189 nan 4.420 nan 0.000 0.279 424 P C -0.622 176.703 177.300 0.042 0.000 1.239 424 P CA -0.341 62.775 63.100 0.026 0.000 0.789 424 P CB 0.770 32.477 31.700 0.011 0.000 0.933 425 R N 1.125 121.649 120.500 0.040 0.000 3.336 425 R HA -0.203 4.137 4.340 0.001 0.000 0.260 425 R C 1.003 177.365 176.300 0.103 0.000 1.032 425 R CA 0.486 56.622 56.100 0.059 0.000 0.693 425 R CB -2.445 27.877 30.300 0.036 0.000 1.134 425 R HN 0.628 nan 8.270 nan 0.000 0.433 426 A N 0.197 123.092 122.820 0.126 0.000 1.930 426 A HA 0.173 4.494 4.320 0.001 0.000 0.215 426 A C 0.985 178.734 177.584 0.276 0.000 1.176 426 A CA 0.831 52.986 52.037 0.196 0.000 0.632 426 A CB 0.409 19.506 19.000 0.161 0.000 0.819 426 A HN 0.337 nan 8.150 nan 0.000 0.445 427 I N -0.965 119.727 120.570 0.203 0.000 2.582 427 I HA 0.540 4.711 4.170 0.001 0.000 0.292 427 I C -0.295 175.934 176.117 0.186 0.000 1.066 427 I CA -0.786 60.647 61.300 0.221 0.000 1.053 427 I CB 2.190 40.276 38.000 0.143 0.000 1.241 427 I HN 0.126 nan 8.210 nan 0.000 0.421 428 A N 5.722 128.677 122.820 0.226 0.000 2.305 428 A HA 0.825 5.145 4.320 0.001 0.000 0.322 428 A C -0.792 176.922 177.584 0.216 0.000 1.187 428 A CA -0.490 51.694 52.037 0.244 0.000 0.825 428 A CB 1.274 20.461 19.000 0.313 0.000 1.164 428 A HN 0.437 nan 8.150 nan 0.000 0.498 429 V N 2.988 122.998 119.914 0.159 0.000 2.487 429 V HA 0.696 4.817 4.120 0.001 0.000 0.298 429 V C -1.039 175.086 176.094 0.051 0.000 1.028 429 V CA -0.263 61.996 62.300 -0.068 0.000 0.860 429 V CB 0.650 32.305 31.823 -0.280 0.000 0.991 429 V HN 0.878 nan 8.190 nan 0.000 0.427 430 F N 1.269 121.106 119.950 -0.189 0.000 2.615 430 F HA 0.697 5.225 4.527 0.001 0.000 0.312 430 F C -0.693 175.035 175.800 -0.120 0.000 1.119 430 F CA -1.057 56.902 58.000 -0.068 0.000 0.979 430 F CB 1.442 40.449 39.000 0.012 0.000 1.266 430 F HN 0.494 nan 8.300 nan 0.000 0.444 431 E N 3.364 123.661 120.200 0.162 0.000 2.301 431 E HA 0.594 4.944 4.350 0.001 0.000 0.275 431 E C -0.876 175.856 176.600 0.219 0.000 1.030 431 E CA -0.767 55.689 56.400 0.093 0.000 0.852 431 E CB 1.096 30.958 29.700 0.270 0.000 1.060 431 E HN 0.869 nan 8.360 nan 0.000 0.401 432 R N 3.118 123.707 120.500 0.147 0.000 2.668 432 R HA 0.222 4.563 4.340 0.001 0.000 0.272 432 R C -1.533 174.853 176.300 0.143 0.000 1.019 432 R CA -0.978 55.233 56.100 0.186 0.000 0.894 432 R CB 0.562 30.987 30.300 0.209 0.000 1.228 432 R HN 0.562 nan 8.270 nan 0.000 0.460 433 Y N 1.879 122.215 120.300 0.059 0.000 2.377 433 Y HA 0.435 4.985 4.550 0.001 0.000 0.330 433 Y C -0.432 175.468 175.900 -0.000 0.000 1.108 433 Y CA 0.277 58.396 58.100 0.031 0.000 1.308 433 Y CB 1.248 39.722 38.460 0.023 0.000 1.216 433 Y HN 0.839 nan 8.280 nan 0.000 0.518 434 A N 5.557 127.942 122.820 -0.724 0.000 2.959 434 A HA 0.607 4.928 4.320 0.001 0.000 0.280 434 A C 0.607 177.815 177.584 -0.626 0.000 0.953 434 A CA 0.078 51.803 52.037 -0.520 0.000 1.047 434 A CB -0.787 18.026 19.000 -0.313 0.000 1.147 434 A HN 1.776 nan 8.150 nan 0.000 0.489 435 G N 0.894 109.017 108.800 -1.129 0.000 2.693 435 G HA2 -0.122 3.838 3.960 0.001 0.000 0.226 435 G HA3 -0.122 3.838 3.960 0.001 0.000 0.226 435 G C -2.912 171.751 174.900 -0.395 0.000 1.354 435 G CA -0.356 44.434 45.100 -0.517 0.000 0.873 435 G HN 0.556 nan 8.290 nan 0.000 0.562 436 P HA 0.302 nan 4.420 nan 0.000 0.276 436 P C 0.473 177.698 177.300 -0.125 0.000 1.235 436 P CA 0.033 63.076 63.100 -0.095 0.000 0.772 436 P CB 1.712 33.399 31.700 -0.022 0.000 0.871 437 E N 4.092 124.179 120.200 -0.188 0.000 2.028 437 E HA -0.134 4.216 4.350 0.001 0.000 0.191 437 E C 0.132 176.697 176.600 -0.058 0.000 0.988 437 E CA 1.805 58.107 56.400 -0.163 0.000 0.799 437 E CB -0.373 29.158 29.700 -0.282 0.000 0.755 437 E HN 0.595 nan 8.360 nan 0.000 0.447 438 Y N -2.774 117.527 120.300 0.001 0.000 2.705 438 Y HA 0.680 5.231 4.550 0.001 0.000 0.332 438 Y C -1.038 174.876 175.900 0.024 0.000 1.221 438 Y CA -1.695 56.410 58.100 0.008 0.000 1.059 438 Y CB 0.850 39.311 38.460 0.001 0.000 1.298 438 Y HN -0.152 nan 8.280 nan 0.000 0.459 439 K N 0.934 121.536 120.400 0.336 0.000 2.557 439 K HA 0.471 4.792 4.320 0.001 0.000 0.257 439 K C -2.612 174.146 176.600 0.263 0.000 0.933 439 K CA -0.738 55.695 56.287 0.243 0.000 0.820 439 K CB 1.986 34.560 32.500 0.123 0.000 1.330 439 K HN 1.030 nan 8.250 nan 0.000 0.432 440 H N 2.103 121.234 119.070 0.102 0.000 2.934 440 H HA 0.254 4.810 4.556 0.001 0.000 0.340 440 H C -1.664 173.687 175.328 0.038 0.000 1.008 440 H CA -0.339 55.738 56.048 0.049 0.000 1.317 440 H CB 1.861 31.635 29.762 0.020 0.000 1.670 440 H HN 0.512 nan 8.280 nan 0.000 0.516 441 Q N 3.647 123.197 119.800 -0.417 0.000 2.655 441 Q HA 0.215 4.556 4.340 0.001 0.000 0.228 441 Q C -0.780 174.885 176.000 -0.559 0.000 1.186 441 Q CA -0.674 54.917 55.803 -0.354 0.000 1.004 441 Q CB 0.337 28.986 28.738 -0.149 0.000 1.242 441 Q HN 0.610 nan 8.270 nan 0.000 0.558 442 E N 2.682 122.487 120.200 -0.659 0.000 2.376 442 E HA 0.102 4.453 4.350 0.001 0.000 0.266 442 E C -0.590 175.917 176.600 -0.156 0.000 1.009 442 E CA -0.278 55.903 56.400 -0.365 0.000 0.902 442 E CB 0.407 30.037 29.700 -0.117 0.000 0.972 442 E HN 0.675 nan 8.360 nan 0.000 0.439 443 M N 4.869 124.422 119.600 -0.077 0.000 2.284 443 M HA 0.196 4.677 4.480 0.001 0.000 0.351 443 M C 1.106 177.388 176.300 -0.031 0.000 1.443 443 M CA 1.700 56.974 55.300 -0.042 0.000 1.031 443 M CB -0.204 32.389 32.600 -0.013 0.000 1.893 443 M HN 0.688 nan 8.290 nan 0.000 0.456 444 G N 2.415 111.197 108.800 -0.030 0.000 2.184 444 G HA2 -0.200 3.761 3.960 0.001 0.000 0.264 444 G HA3 -0.200 3.761 3.960 0.001 0.000 0.264 444 G C 0.070 174.956 174.900 -0.023 0.000 0.975 444 G CA 0.430 45.517 45.100 -0.021 0.000 0.642 444 G HN 0.727 nan 8.290 nan 0.000 0.536 445 Q N 0.050 119.829 119.800 -0.035 0.000 2.333 445 Q HA 0.568 4.908 4.340 0.001 0.000 0.266 445 Q C -2.491 173.487 176.000 -0.036 0.000 1.053 445 Q CA -1.836 53.949 55.803 -0.031 0.000 0.890 445 Q CB 0.877 29.596 28.738 -0.032 0.000 1.337 445 Q HN 0.185 nan 8.270 nan 0.000 0.474 446 P HA 0.055 nan 4.420 nan 0.000 0.271 446 P C -0.239 177.043 177.300 -0.030 0.000 1.216 446 P CA -0.183 62.904 63.100 -0.021 0.000 0.776 446 P CB 0.376 32.071 31.700 -0.008 0.000 0.881 447 N N 1.637 120.320 118.700 -0.029 0.000 2.340 447 N HA 0.141 4.882 4.740 0.001 0.000 0.236 447 N C -1.130 174.381 175.510 0.002 0.000 1.296 447 N CA 0.142 53.173 53.050 -0.031 0.000 0.896 447 N CB 0.329 38.804 38.487 -0.020 0.000 1.127 447 N HN 0.042 nan 8.380 nan 0.000 0.442 448 V N 1.428 121.358 119.914 0.027 0.000 2.482 448 V HA 0.491 4.611 4.120 0.001 0.000 0.295 448 V C -0.723 175.438 176.094 0.111 0.000 1.026 448 V CA -0.624 61.727 62.300 0.085 0.000 0.856 448 V CB 1.147 33.050 31.823 0.134 0.000 1.001 448 V HN 0.743 nan 8.190 nan 0.000 0.424 449 S N 2.491 118.231 115.700 0.067 0.000 2.569 449 S HA 0.883 5.353 4.470 0.001 0.000 0.280 449 S C -0.266 174.287 174.600 -0.079 0.000 1.111 449 S CA -0.700 57.511 58.200 0.018 0.000 0.887 449 S CB 2.464 65.671 63.200 0.012 0.000 1.095 449 S HN 0.962 nan 8.310 nan 0.000 0.476 450 T N -0.979 113.425 114.554 -0.250 0.000 2.896 450 T HA 0.650 5.000 4.350 0.001 0.000 0.297 450 T C -1.041 173.543 174.700 -0.194 0.000 1.108 450 T CA -1.118 60.832 62.100 -0.250 0.000 1.004 450 T CB 1.317 69.940 68.868 -0.408 0.000 1.159 450 T HN 0.632 nan 8.240 nan 0.000 0.499 451 E N 1.021 121.170 120.200 -0.085 0.000 2.319 451 E HA 0.421 4.772 4.350 0.001 0.000 0.268 451 E C -0.304 176.233 176.600 -0.106 0.000 1.050 451 E CA -1.084 55.297 56.400 -0.032 0.000 0.878 451 E CB 1.427 31.219 29.700 0.153 0.000 1.066 451 E HN 0.635 nan 8.360 nan 0.000 0.406 452 R N 1.521 121.910 120.500 -0.185 0.000 2.312 452 R HA 0.234 4.574 4.340 0.001 0.000 0.311 452 R C -0.690 175.545 176.300 -0.107 0.000 1.004 452 R CA -0.667 55.347 56.100 -0.144 0.000 0.902 452 R CB 0.744 30.936 30.300 -0.179 0.000 1.073 452 R HN 0.438 nan 8.270 nan 0.000 0.457 453 R N 2.991 123.522 120.500 0.051 0.000 2.562 453 R HA 0.324 4.665 4.340 0.001 0.000 0.298 453 R C -0.918 175.533 176.300 0.251 0.000 0.961 453 R CA -0.675 55.533 56.100 0.180 0.000 0.881 453 R CB 1.962 32.461 30.300 0.332 0.000 1.159 453 R HN 0.738 nan 8.270 nan 0.000 0.450 454 E N 1.585 121.833 120.200 0.080 0.000 2.238 454 E HA 0.361 4.711 4.350 0.001 0.000 0.267 454 E C -0.916 175.506 176.600 -0.296 0.000 0.887 454 E CA -1.060 55.294 56.400 -0.077 0.000 0.769 454 E CB 2.569 32.080 29.700 -0.315 0.000 1.187 454 E HN 0.114 nan 8.360 nan 0.000 0.416 455 L N 3.004 123.835 121.223 -0.652 0.000 2.282 455 L HA 0.389 4.729 4.340 0.001 0.000 0.288 455 L C -1.339 175.199 176.870 -0.553 0.000 1.033 455 L CA -0.543 53.754 54.840 -0.905 0.000 0.807 455 L CB 1.300 42.405 42.059 -1.591 0.000 1.209 455 L HN 0.319 nan 8.230 nan 0.000 0.423 456 V N 5.705 125.198 119.914 -0.702 0.000 2.513 456 V HA 0.509 4.629 4.120 0.001 0.000 0.299 456 V C -0.484 175.304 176.094 -0.510 0.000 1.035 456 V CA -0.719 61.172 62.300 -0.681 0.000 0.889 456 V CB 1.980 33.049 31.823 -1.258 0.000 0.988 456 V HN 0.487 nan 8.190 nan 0.000 0.440 457 V N 5.555 125.376 119.914 -0.155 0.000 2.384 457 V HA 0.558 4.679 4.120 0.001 0.000 0.287 457 V C 0.019 176.224 176.094 0.184 0.000 1.020 457 V CA -0.620 61.689 62.300 0.015 0.000 0.850 457 V CB 1.470 33.362 31.823 0.114 0.000 0.987 457 V HN 0.873 nan 8.190 nan 0.000 0.436 458 R N 3.734 124.378 120.500 0.239 0.000 2.534 458 R HA 0.572 4.913 4.340 0.001 0.000 0.301 458 R C -1.995 174.579 176.300 0.456 0.000 0.961 458 R CA -0.605 55.720 56.100 0.375 0.000 0.871 458 R CB 1.824 32.375 30.300 0.418 0.000 1.170 458 R HN 0.710 nan 8.270 nan 0.000 0.446 459 W N 6.777 128.253 121.300 0.293 0.000 2.957 459 W HA 0.530 5.191 4.660 0.001 0.000 0.336 459 W C -1.961 174.738 176.519 0.300 0.000 1.087 459 W CA -0.744 56.758 57.345 0.263 0.000 1.235 459 W CB 1.133 30.749 29.460 0.259 0.000 1.399 459 W HN 0.414 nan 8.180 nan 0.000 0.480 460 I N 5.598 125.980 120.570 -0.313 0.000 2.465 460 I HA 0.391 4.562 4.170 0.001 0.000 0.291 460 I C -0.206 175.490 176.117 -0.701 0.000 1.014 460 I CA -0.890 60.156 61.300 -0.424 0.000 1.093 460 I CB 1.927 39.822 38.000 -0.175 0.000 1.267 460 I HN 0.383 nan 8.210 nan 0.000 0.431 461 S N 3.850 119.150 115.700 -0.666 0.000 2.521 461 S HA 0.628 5.098 4.470 0.001 0.000 0.295 461 S C -0.679 173.842 174.600 -0.132 0.000 1.098 461 S CA -0.299 57.668 58.200 -0.389 0.000 0.999 461 S CB 1.644 64.578 63.200 -0.444 0.000 1.034 461 S HN 0.575 nan 8.310 nan 0.000 0.483 462 T N 3.665 118.176 114.554 -0.071 0.000 2.792 462 T HA 0.554 4.905 4.350 0.001 0.000 0.280 462 T C -1.046 173.650 174.700 -0.007 0.000 0.990 462 T CA -0.471 61.581 62.100 -0.080 0.000 0.960 462 T CB 1.308 70.115 68.868 -0.102 0.000 0.939 462 T HN 0.475 nan 8.240 nan 0.000 0.439 463 V N 3.517 123.413 119.914 -0.030 0.000 2.357 463 V HA 0.655 4.775 4.120 0.001 0.000 0.281 463 V C 1.050 177.082 176.094 -0.104 0.000 1.015 463 V CA 0.050 62.335 62.300 -0.025 0.000 0.827 463 V CB 0.276 32.084 31.823 -0.025 0.000 1.018 463 V HN 1.238 nan 8.190 nan 0.000 0.432 464 G N 5.677 114.526 108.800 0.082 0.000 2.601 464 G HA2 -0.300 3.661 3.960 0.001 0.000 0.306 464 G HA3 -0.300 3.661 3.960 0.001 0.000 0.306 464 G C 0.303 175.183 174.900 -0.033 0.000 1.172 464 G CA 0.566 45.816 45.100 0.249 0.000 0.966 464 G HN 0.920 nan 8.290 nan 0.000 0.542 468 Y N 1.068 121.203 120.300 -0.276 0.000 2.352 468 Y HA 0.639 5.189 4.550 0.001 0.000 0.339 468 Y C 0.092 175.710 175.900 -0.470 0.000 0.992 468 Y CA -0.839 57.037 58.100 -0.373 0.000 1.100 468 Y CB 1.325 39.690 38.460 -0.157 0.000 1.192 468 Y HN 0.260 nan 8.280 nan 0.000 0.458 469 I N 4.343 124.614 120.570 -0.499 0.000 2.378 469 I HA 0.370 4.541 4.170 0.001 0.000 0.291 469 I C -1.172 174.657 176.117 -0.480 0.000 0.992 469 I CA -0.542 60.537 61.300 -0.368 0.000 1.154 469 I CB 0.944 38.758 38.000 -0.309 0.000 1.315 469 I HN 0.360 nan 8.210 nan 0.000 0.448 470 F N 3.585 123.642 119.950 0.179 0.000 2.467 470 F HA 0.434 4.962 4.527 0.001 0.000 0.336 470 F C -0.197 175.783 175.800 0.300 0.000 1.123 470 F CA -0.696 57.471 58.000 0.278 0.000 0.964 470 F CB 1.381 40.704 39.000 0.538 0.000 1.136 470 F HN 0.338 nan 8.300 nan 0.000 0.447 471 D N 2.318 122.869 120.400 0.251 0.000 2.391 471 D HA 0.260 4.900 4.640 0.001 0.000 0.245 471 D C -1.364 174.830 176.300 -0.177 0.000 1.069 471 D CA -0.264 53.810 54.000 0.124 0.000 0.831 471 D CB 1.233 42.046 40.800 0.023 0.000 1.204 471 D HN 0.323 nan 8.370 nan 0.000 0.503 472 W N 2.599 123.825 121.300 -0.123 0.000 2.329 472 W HA 0.512 5.172 4.660 0.001 0.000 0.312 472 W C -0.141 176.098 176.519 -0.467 0.000 1.054 472 W CA -0.573 56.575 57.345 -0.328 0.000 1.245 472 W CB 0.670 29.965 29.460 -0.275 0.000 1.255 472 W HN 0.129 nan 8.180 nan 0.000 0.436 473 I N 4.381 124.670 120.570 -0.470 0.000 2.382 473 I HA 0.294 4.465 4.170 0.001 0.000 0.285 473 I C -0.898 174.939 176.117 -0.466 0.000 1.007 473 I CA -0.814 60.252 61.300 -0.390 0.000 1.142 473 I CB 0.643 38.481 38.000 -0.270 0.000 1.289 473 I HN 0.129 nan 8.210 nan 0.000 0.453 474 F N 4.880 124.653 119.950 -0.296 0.000 2.334 474 F HA 0.361 4.888 4.527 0.001 0.000 0.367 474 F C 0.838 176.731 175.800 0.156 0.000 1.115 474 F CA -0.394 57.427 58.000 -0.298 0.000 1.116 474 F CB 0.302 38.846 39.000 -0.760 0.000 1.230 474 F HN 0.394 nan 8.300 nan 0.000 0.484 475 H N 2.362 121.622 119.070 0.317 0.000 2.582 475 H HA 0.053 4.610 4.556 0.001 0.000 0.345 475 H C 1.003 176.774 175.328 0.738 0.000 1.104 475 H CA -0.319 55.979 56.048 0.416 0.000 1.390 475 H CB 1.491 31.401 29.762 0.246 0.000 1.461 475 H HN 0.716 nan 8.280 nan 0.000 0.551 476 E N 2.073 122.685 120.200 0.687 0.000 2.160 476 E HA -0.207 4.143 4.350 0.001 0.000 0.195 476 E C 0.978 177.800 176.600 0.370 0.000 0.991 476 E CA 1.337 58.017 56.400 0.467 0.000 0.810 476 E CB 0.151 29.947 29.700 0.159 0.000 0.742 476 E HN 0.639 nan 8.360 nan 0.000 0.466 477 N N -1.024 117.869 118.700 0.323 0.000 2.370 477 N HA 0.054 4.795 4.740 0.001 0.000 0.198 477 N C 0.945 176.485 175.510 0.050 0.000 1.156 477 N CA 0.872 53.991 53.050 0.115 0.000 0.839 477 N CB 0.711 39.244 38.487 0.078 0.000 0.989 477 N HN 0.207 nan 8.380 nan 0.000 0.468 478 G N -1.695 107.311 108.800 0.344 0.000 2.213 478 G HA2 -0.256 3.704 3.960 0.001 0.000 0.226 478 G HA3 -0.256 3.704 3.960 0.001 0.000 0.226 478 G C 0.114 175.354 174.900 0.567 0.000 0.992 478 G CA 0.195 45.493 45.100 0.330 0.000 0.632 478 G HN 0.448 nan 8.290 nan 0.000 0.511 479 T N 1.448 116.193 114.554 0.318 0.000 2.918 479 T HA 0.578 4.929 4.350 0.001 0.000 0.302 479 T C 0.455 175.188 174.700 0.055 0.000 1.045 479 T CA 0.439 62.553 62.100 0.023 0.000 1.114 479 T CB 1.262 69.844 68.868 -0.478 0.000 0.965 479 T HN 0.335 nan 8.240 nan 0.000 0.540 480 I N 1.728 122.264 120.570 -0.057 0.000 2.436 480 I HA 0.513 4.684 4.170 0.001 0.000 0.289 480 I C 0.674 176.626 176.117 -0.275 0.000 1.010 480 I CA -0.869 60.287 61.300 -0.240 0.000 1.098 480 I CB 1.934 39.752 38.000 -0.303 0.000 1.266 480 I HN 0.675 nan 8.210 nan 0.000 0.434 481 G N 6.535 115.172 108.800 -0.272 0.000 2.400 481 G HA2 0.804 4.765 3.960 0.001 0.000 0.333 481 G HA3 0.804 4.765 3.960 0.001 0.000 0.333 481 G C -0.871 173.747 174.900 -0.470 0.000 1.143 481 G CA -0.458 44.488 45.100 -0.257 0.000 0.914 481 G HN 0.511 nan 8.290 nan 0.000 0.480 482 I N 1.692 121.929 120.570 -0.556 0.000 2.468 482 I HA 0.290 4.460 4.170 0.001 0.000 0.284 482 I C -1.409 174.360 176.117 -0.581 0.000 1.038 482 I CA -0.752 60.018 61.300 -0.882 0.000 1.083 482 I CB 2.231 39.343 38.000 -1.481 0.000 1.223 482 I HN 0.201 nan 8.210 nan 0.000 0.443 483 D N 5.107 125.280 120.400 -0.378 0.000 2.498 483 D HA 0.723 5.363 4.640 0.001 0.000 0.247 483 D C -0.651 175.637 176.300 -0.020 0.000 1.070 483 D CA -0.264 53.675 54.000 -0.101 0.000 0.842 483 D CB 2.477 43.301 40.800 0.040 0.000 1.361 483 D HN 0.563 nan 8.370 nan 0.000 0.484 484 A N 1.010 123.757 122.820 -0.122 0.000 2.331 484 A HA 0.794 5.115 4.320 0.001 0.000 0.320 484 A C 0.089 177.296 177.584 -0.628 0.000 1.138 484 A CA -0.659 51.050 52.037 -0.547 0.000 0.790 484 A CB 1.449 19.815 19.000 -1.057 0.000 1.206 484 A HN 0.485 nan 8.150 nan 0.000 0.470 485 G N 0.234 108.431 108.800 -1.006 0.000 2.495 485 G HA2 0.716 4.677 3.960 0.001 0.000 0.318 485 G HA3 0.716 4.677 3.960 0.001 0.000 0.318 485 G C -0.558 173.840 174.900 -0.836 0.000 1.257 485 G CA 0.073 44.329 45.100 -1.406 0.000 0.962 485 G HN 1.493 nan 8.290 nan 0.000 0.483 486 A N 1.323 123.735 122.820 -0.680 0.000 2.343 486 A HA 0.908 5.229 4.320 0.001 0.000 0.316 486 A C -0.047 177.217 177.584 -0.534 0.000 1.104 486 A CA -0.339 51.379 52.037 -0.531 0.000 0.768 486 A CB 2.103 20.846 19.000 -0.429 0.000 1.213 486 A HN 1.112 nan 8.150 nan 0.000 0.456 487 T N 0.524 114.759 114.554 -0.532 0.000 2.598 487 T HA 0.834 5.185 4.350 0.001 0.000 0.289 487 T C 0.358 174.802 174.700 -0.427 0.000 1.056 487 T CA 0.994 62.851 62.100 -0.405 0.000 1.088 487 T CB 0.790 69.441 68.868 -0.362 0.000 1.519 487 T HN 2.725 nan 8.240 nan 0.000 0.488 488 G N 0.489 109.055 108.800 -0.390 0.000 2.416 488 G HA2 0.065 4.026 3.960 0.001 0.000 0.203 488 G HA3 0.065 4.026 3.960 0.001 0.000 0.203 488 G C -1.515 173.117 174.900 -0.446 0.000 1.227 488 G CA -0.240 44.586 45.100 -0.456 0.000 1.041 488 G HN 0.866 nan 8.290 nan 0.000 0.546 489 I N 1.406 121.652 120.570 -0.540 0.000 2.404 489 I HA 0.397 4.568 4.170 0.001 0.000 0.293 489 I C 0.680 176.605 176.117 -0.319 0.000 0.992 489 I CA -0.871 60.142 61.300 -0.479 0.000 1.149 489 I CB 1.149 38.728 38.000 -0.701 0.000 1.315 489 I HN 0.597 nan 8.210 nan 0.000 0.446 490 E N 3.376 123.585 120.200 0.015 0.000 2.392 490 E HA 0.255 4.605 4.350 0.001 0.000 0.264 490 E C -0.026 176.632 176.600 0.097 0.000 1.024 490 E CA -0.229 56.229 56.400 0.098 0.000 0.903 490 E CB 1.218 31.058 29.700 0.233 0.000 0.963 490 E HN 0.685 nan 8.360 nan 0.000 0.432 491 A N 3.142 126.015 122.820 0.087 0.000 2.395 491 A HA 0.274 4.595 4.320 0.001 0.000 0.286 491 A C 0.157 177.977 177.584 0.394 0.000 1.193 491 A CA -0.461 51.722 52.037 0.243 0.000 0.852 491 A CB -0.269 18.829 19.000 0.163 0.000 1.118 491 A HN 0.368 nan 8.150 nan 0.000 0.524 492 V N 0.648 120.807 119.914 0.407 0.000 2.994 492 V HA 0.732 4.852 4.120 0.001 0.000 0.318 492 V C -0.227 176.126 176.094 0.432 0.000 1.085 492 V CA -1.113 61.335 62.300 0.247 0.000 0.998 492 V CB 1.718 33.480 31.823 -0.102 0.000 1.063 492 V HN 0.827 nan 8.190 nan 0.000 0.447 493 K N 1.911 122.421 120.400 0.183 0.000 2.274 493 K HA 0.654 4.974 4.320 0.001 0.000 0.262 493 K C 0.168 176.834 176.600 0.111 0.000 0.961 493 K CA -0.253 56.170 56.287 0.227 0.000 0.833 493 K CB 1.346 33.750 32.500 -0.159 0.000 1.102 493 K HN 1.214 nan 8.250 nan 0.000 0.436 494 G N 2.734 111.629 108.800 0.159 0.000 2.378 494 G HA2 0.407 4.367 3.960 0.001 0.000 0.255 494 G HA3 0.407 4.367 3.960 0.001 0.000 0.255 494 G C -0.405 174.532 174.900 0.062 0.000 1.270 494 G CA -0.337 44.822 45.100 0.099 0.000 0.876 494 G HN 0.508 nan 8.290 nan 0.000 0.521 495 V N 0.232 120.166 119.914 0.033 0.000 3.160 495 V HA 0.604 4.724 4.120 0.001 0.000 0.310 495 V C 0.823 176.932 176.094 0.024 0.000 1.181 495 V CA -1.120 61.191 62.300 0.019 0.000 1.047 495 V CB 2.020 33.835 31.823 -0.012 0.000 1.068 495 V HN 0.626 nan 8.190 nan 0.000 0.441 496 K N 0.852 121.263 120.400 0.018 0.000 2.186 496 K HA 0.399 4.720 4.320 0.001 0.000 0.202 496 K C 1.052 177.664 176.600 0.019 0.000 1.052 496 K CA 1.060 57.359 56.287 0.020 0.000 0.965 496 K CB 0.025 32.534 32.500 0.015 0.000 0.746 496 K HN 0.964 nan 8.250 nan 0.000 0.457 497 A N 1.583 124.410 122.820 0.012 0.000 2.477 497 A HA 0.021 4.342 4.320 0.001 0.000 0.246 497 A C 0.514 178.124 177.584 0.042 0.000 1.078 497 A CA 0.210 52.257 52.037 0.016 0.000 0.770 497 A CB 0.395 19.394 19.000 -0.002 0.000 1.011 497 A HN 0.183 nan 8.150 nan 0.000 0.494 498 K N 0.090 120.522 120.400 0.054 0.000 2.242 498 K HA 0.061 4.382 4.320 0.001 0.000 0.200 498 K C 0.706 177.447 176.600 0.235 0.000 1.050 498 K CA 1.386 57.744 56.287 0.119 0.000 0.981 498 K CB 0.203 32.666 32.500 -0.062 0.000 0.795 498 K HN 0.921 nan 8.250 nan 0.000 0.477 499 T N -3.239 111.382 114.554 0.112 0.000 2.838 499 T HA 0.257 4.608 4.350 0.001 0.000 0.292 499 T C 0.590 175.268 174.700 -0.036 0.000 1.113 499 T CA -0.856 61.285 62.100 0.069 0.000 1.008 499 T CB 1.248 70.189 68.868 0.122 0.000 1.259 499 T HN -0.274 nan 8.240 nan 0.000 0.520 500 M N 0.814 120.311 119.600 -0.171 0.000 2.686 500 M HA 0.036 4.517 4.480 0.001 0.000 0.246 500 M C 1.341 177.492 176.300 -0.248 0.000 1.096 500 M CA 0.914 56.078 55.300 -0.226 0.000 1.076 500 M CB -1.377 31.054 32.600 -0.281 0.000 1.504 500 M HN 0.639 nan 8.290 nan 0.000 0.524 501 H N -0.458 118.616 119.070 0.006 0.000 2.525 501 H HA 0.134 4.690 4.556 0.001 0.000 0.275 501 H C 0.171 175.498 175.328 -0.002 0.000 0.984 501 H CA 0.087 56.136 56.048 0.002 0.000 1.264 501 H CB 0.104 29.870 29.762 0.007 0.000 1.432 501 H HN 0.252 nan 8.280 nan 0.000 0.549 502 D N 1.171 121.627 120.400 0.093 0.000 2.364 502 D HA -0.041 4.599 4.640 0.001 0.000 0.236 502 D C 1.235 177.549 176.300 0.024 0.000 1.221 502 D CA 0.230 54.259 54.000 0.048 0.000 0.891 502 D CB 1.069 41.887 40.800 0.031 0.000 1.190 502 D HN 0.309 nan 8.370 nan 0.000 0.449 503 E N -0.674 119.535 120.200 0.015 0.000 2.216 503 E HA -0.095 4.255 4.350 0.001 0.000 0.192 503 E C 1.546 178.143 176.600 -0.006 0.000 0.988 503 E CA 0.892 57.296 56.400 0.006 0.000 0.834 503 E CB 0.088 29.791 29.700 0.005 0.000 0.772 503 E HN 0.536 nan 8.360 nan 0.000 0.479 504 T N -1.904 112.646 114.554 -0.007 0.000 3.129 504 T HA 0.287 4.638 4.350 0.001 0.000 0.251 504 T C 1.782 176.463 174.700 -0.032 0.000 1.117 504 T CA 0.375 62.465 62.100 -0.017 0.000 1.034 504 T CB 0.298 69.160 68.868 -0.010 0.000 0.968 504 T HN 0.099 nan 8.240 nan 0.000 0.526 505 A N 2.574 125.374 122.820 -0.033 0.000 1.865 505 A HA -0.108 4.212 4.320 0.001 0.000 0.217 505 A C 2.381 179.922 177.584 -0.073 0.000 1.191 505 A CA 1.879 53.885 52.037 -0.052 0.000 0.623 505 A CB -0.771 18.195 19.000 -0.057 0.000 0.826 505 A HN 0.553 nan 8.150 nan 0.000 0.444 506 K N -0.753 119.605 120.400 -0.071 0.000 2.032 506 K HA -0.231 4.090 4.320 0.001 0.000 0.209 506 K C 1.467 177.997 176.600 -0.117 0.000 1.048 506 K CA 1.908 58.141 56.287 -0.090 0.000 0.927 506 K CB -0.280 32.176 32.500 -0.073 0.000 0.712 506 K HN 0.400 nan 8.250 nan 0.000 0.441 507 D N 0.976 121.318 120.400 -0.095 0.000 2.117 507 D HA -0.132 4.508 4.640 0.001 0.000 0.198 507 D C 1.551 177.781 176.300 -0.117 0.000 0.982 507 D CA 1.061 54.996 54.000 -0.107 0.000 0.828 507 D CB -0.361 40.404 40.800 -0.059 0.000 0.967 507 D HN 0.248 nan 8.370 nan 0.000 0.464 508 D N -0.407 119.942 120.400 -0.085 0.000 2.218 508 D HA -0.090 4.551 4.640 0.001 0.000 0.204 508 D C 1.621 177.852 176.300 -0.116 0.000 0.976 508 D CA 1.218 55.172 54.000 -0.077 0.000 0.853 508 D CB -0.197 40.569 40.800 -0.058 0.000 0.939 508 D HN 0.326 nan 8.370 nan 0.000 0.481 509 T N -2.772 111.695 114.554 -0.145 0.000 3.176 509 T HA 0.207 4.557 4.350 0.001 0.000 0.263 509 T C 1.445 176.008 174.700 -0.229 0.000 1.021 509 T CA -0.496 61.508 62.100 -0.161 0.000 0.905 509 T CB 0.576 69.365 68.868 -0.133 0.000 1.057 509 T HN -0.044 nan 8.240 nan 0.000 0.558 510 R N 0.316 120.597 120.500 -0.364 0.000 2.120 510 R HA -0.050 4.291 4.340 0.001 0.000 0.234 510 R C 0.453 176.366 176.300 -0.646 0.000 1.123 510 R CA 1.407 57.143 56.100 -0.606 0.000 0.975 510 R CB -0.104 29.599 30.300 -0.995 0.000 0.866 510 R HN 0.551 nan 8.270 nan 0.000 0.446 511 Y N -1.574 118.643 120.300 -0.137 0.000 2.612 511 Y HA 0.490 5.041 4.550 0.001 0.000 0.250 511 Y C 0.539 176.332 175.900 -0.180 0.000 1.175 511 Y CA 0.023 58.029 58.100 -0.155 0.000 1.205 511 Y CB 1.488 39.842 38.460 -0.178 0.000 1.201 511 Y HN 0.149 nan 8.280 nan 0.000 0.532 512 G N -0.942 107.806 108.800 -0.087 0.000 2.349 512 G HA2 0.350 4.310 3.960 0.001 0.000 0.294 512 G HA3 0.350 4.310 3.960 0.001 0.000 0.294 512 G C -1.290 173.535 174.900 -0.124 0.000 1.380 512 G CA -0.924 44.108 45.100 -0.112 0.000 0.811 512 G HN -0.201 nan 8.290 nan 0.000 0.519 513 T N 0.520 115.002 114.554 -0.119 0.000 2.909 513 T HA 0.429 4.780 4.350 0.001 0.000 0.289 513 T C 0.112 174.737 174.700 -0.125 0.000 1.005 513 T CA -0.216 61.820 62.100 -0.108 0.000 1.084 513 T CB 1.536 70.355 68.868 -0.081 0.000 0.975 513 T HN 0.590 nan 8.240 nan 0.000 0.509 514 L N 5.078 126.232 121.223 -0.115 0.000 2.433 514 L HA 0.314 4.654 4.340 0.001 0.000 0.284 514 L C 0.946 177.738 176.870 -0.130 0.000 1.120 514 L CA 0.118 54.884 54.840 -0.124 0.000 0.879 514 L CB -0.533 41.469 42.059 -0.095 0.000 1.232 514 L HN 0.717 nan 8.230 nan 0.000 0.454 515 I N -0.193 120.263 120.570 -0.191 0.000 3.860 515 I HA 0.423 4.594 4.170 0.001 0.000 0.319 515 I C -0.030 175.962 176.117 -0.208 0.000 1.279 515 I CA 0.081 61.274 61.300 -0.179 0.000 1.220 515 I CB 0.150 38.036 38.000 -0.190 0.000 1.027 515 I HN 0.456 nan 8.210 nan 0.000 0.428 516 D N -0.432 119.809 120.400 -0.265 0.000 2.692 516 D HA 0.234 4.874 4.640 0.001 0.000 0.290 516 D C -0.882 175.331 176.300 -0.145 0.000 1.281 516 D CA -0.514 53.356 54.000 -0.215 0.000 0.804 516 D CB 1.243 41.943 40.800 -0.167 0.000 1.331 516 D HN -0.014 nan 8.370 nan 0.000 0.432 517 H N 1.374 120.456 119.070 0.019 0.000 3.070 517 H HA 0.134 4.690 4.556 0.001 0.000 0.313 517 H C 0.455 175.787 175.328 0.006 0.000 0.997 517 H CA 1.074 57.134 56.048 0.020 0.000 1.438 517 H CB -0.233 29.561 29.762 0.054 0.000 1.455 517 H HN 0.473 nan 8.280 nan 0.000 0.575 518 N N 0.656 119.425 118.700 0.114 0.000 2.828 518 N HA -0.195 4.545 4.740 0.001 0.000 0.248 518 N C -0.799 174.715 175.510 0.007 0.000 1.044 518 N CA 0.756 53.842 53.050 0.061 0.000 0.851 518 N CB -0.865 37.677 38.487 0.092 0.000 1.136 518 N HN 0.511 nan 8.380 nan 0.000 0.572 519 I N 0.558 121.087 120.570 -0.069 0.000 2.478 519 I HA 0.397 4.568 4.170 0.001 0.000 0.287 519 I C -0.597 175.369 176.117 -0.251 0.000 1.042 519 I CA -0.908 60.276 61.300 -0.193 0.000 1.067 519 I CB 1.976 39.761 38.000 -0.358 0.000 1.233 519 I HN -0.250 nan 8.210 nan 0.000 0.431 520 V N 4.826 124.611 119.914 -0.215 0.000 2.448 520 V HA 0.458 4.579 4.120 0.001 0.000 0.295 520 V C 0.584 176.542 176.094 -0.226 0.000 1.025 520 V CA -0.554 61.620 62.300 -0.211 0.000 0.859 520 V CB 1.886 33.607 31.823 -0.170 0.000 0.988 520 V HN 0.874 nan 8.190 nan 0.000 0.431 521 G N 3.085 111.757 108.800 -0.214 0.000 2.605 521 G HA2 0.284 4.244 3.960 0.001 0.000 0.301 521 G HA3 0.284 4.244 3.960 0.001 0.000 0.301 521 G C 0.342 175.170 174.900 -0.121 0.000 0.881 521 G CA -0.101 44.910 45.100 -0.150 0.000 1.553 521 G HN 0.656 nan 8.290 nan 0.000 0.483 522 T N 2.376 116.853 114.554 -0.128 0.000 2.908 522 T HA 0.096 4.447 4.350 0.001 0.000 0.301 522 T C 1.134 175.877 174.700 0.072 0.000 1.019 522 T CA 0.322 62.332 62.100 -0.149 0.000 1.152 522 T CB 0.538 69.111 68.868 -0.492 0.000 0.966 522 T HN 0.414 nan 8.240 nan 0.000 0.540 523 T N 5.466 120.005 114.554 -0.026 0.000 2.934 523 T HA 0.191 4.542 4.350 0.001 0.000 0.306 523 T C 0.311 174.964 174.700 -0.078 0.000 1.042 523 T CA -0.009 62.030 62.100 -0.101 0.000 1.145 523 T CB -0.104 68.697 68.868 -0.113 0.000 0.982 523 T HN 0.854 nan 8.240 nan 0.000 0.544 524 H N 0.453 119.309 119.070 -0.357 0.000 2.918 524 H HA 0.472 5.029 4.556 0.001 0.000 0.303 524 H C -1.384 173.714 175.328 -0.383 0.000 1.380 524 H CA -1.109 54.627 56.048 -0.519 0.000 1.134 524 H CB 1.071 30.104 29.762 -1.215 0.000 1.842 524 H HN 0.504 nan 8.280 nan 0.000 0.533 525 Q N 0.192 119.801 119.800 -0.319 0.000 2.348 525 Q HA 0.360 4.700 4.340 0.001 0.000 0.271 525 Q C -0.944 174.880 176.000 -0.292 0.000 1.067 525 Q CA -0.961 54.692 55.803 -0.251 0.000 0.839 525 Q CB 2.433 31.109 28.738 -0.104 0.000 1.354 525 Q HN 0.501 nan 8.270 nan 0.000 0.447 526 H N 1.757 120.792 119.070 -0.058 0.000 2.587 526 H HA 0.437 4.994 4.556 0.001 0.000 0.325 526 H C -0.828 174.301 175.328 -0.332 0.000 1.012 526 H CA -0.294 55.643 56.048 -0.185 0.000 1.213 526 H CB 0.842 30.531 29.762 -0.122 0.000 1.431 526 H HN 0.457 nan 8.280 nan 0.000 0.492 527 I N 4.919 125.313 120.570 -0.293 0.000 2.448 527 I HA 0.159 4.330 4.170 0.001 0.000 0.281 527 I C -0.821 175.189 176.117 -0.178 0.000 1.027 527 I CA -0.624 60.582 61.300 -0.158 0.000 1.111 527 I CB 0.672 38.623 38.000 -0.082 0.000 1.236 527 I HN 0.371 nan 8.210 nan 0.000 0.452 528 Y N 4.737 125.129 120.300 0.153 0.000 2.352 528 Y HA 0.448 4.998 4.550 0.001 0.000 0.326 528 Y C 0.467 176.359 175.900 -0.012 0.000 1.166 528 Y CA -0.677 57.441 58.100 0.030 0.000 1.182 528 Y CB 1.004 39.464 38.460 0.000 0.000 1.216 528 Y HN 0.476 nan 8.280 nan 0.000 0.474 529 N N 2.064 120.731 118.700 -0.055 0.000 2.310 529 N HA 0.340 5.081 4.740 0.001 0.000 0.292 529 N C -2.232 173.104 175.510 -0.290 0.000 1.049 529 N CA -0.456 52.586 53.050 -0.014 0.000 0.849 529 N CB 1.100 39.683 38.487 0.161 0.000 1.532 529 N HN 0.463 nan 8.380 nan 0.000 0.479 530 F N 1.567 121.648 119.950 0.218 0.000 2.444 530 F HA 0.443 4.971 4.527 0.001 0.000 0.342 530 F C 1.061 176.892 175.800 0.052 0.000 1.121 530 F CA -0.860 57.223 58.000 0.138 0.000 0.997 530 F CB 1.441 40.488 39.000 0.078 0.000 1.130 530 F HN 0.257 nan 8.300 nan 0.000 0.454 531 R N 5.005 125.530 120.500 0.042 0.000 2.204 531 R HA 0.528 4.868 4.340 0.001 0.000 0.341 531 R C -1.694 174.451 176.300 -0.258 0.000 1.035 531 R CA -0.325 55.506 56.100 -0.449 0.000 0.887 531 R CB 0.157 30.015 30.300 -0.738 0.000 1.114 531 R HN 0.788 nan 8.270 nan 0.000 0.473 532 L N 4.389 125.473 121.223 -0.233 0.000 2.301 532 L HA 0.273 4.614 4.340 0.001 0.000 0.278 532 L C -0.391 176.410 176.870 -0.116 0.000 1.022 532 L CA -0.861 53.924 54.840 -0.092 0.000 0.854 532 L CB 1.502 43.564 42.059 0.006 0.000 1.226 532 L HN 0.504 nan 8.230 nan 0.000 0.429 533 D N 4.899 125.251 120.400 -0.080 0.000 2.453 533 D HA 0.280 4.920 4.640 0.001 0.000 0.223 533 D C -0.400 175.953 176.300 0.088 0.000 1.183 533 D CA -0.001 54.015 54.000 0.027 0.000 0.933 533 D CB 0.364 41.234 40.800 0.117 0.000 1.038 533 D HN 0.316 nan 8.370 nan 0.000 0.513 534 L N 2.613 123.878 121.223 0.070 0.000 2.312 534 L HA 0.378 4.719 4.340 0.001 0.000 0.281 534 L C -0.035 176.903 176.870 0.113 0.000 1.070 534 L CA -0.636 54.246 54.840 0.070 0.000 0.805 534 L CB 1.222 43.288 42.059 0.012 0.000 1.174 534 L HN 0.126 nan 8.230 nan 0.000 0.434 535 D N 2.419 122.907 120.400 0.146 0.000 2.438 535 D HA 0.203 4.843 4.640 0.001 0.000 0.257 535 D C -0.506 175.851 176.300 0.095 0.000 1.148 535 D CA -0.191 53.884 54.000 0.125 0.000 0.902 535 D CB 1.819 42.729 40.800 0.183 0.000 1.062 535 D HN 0.020 nan 8.370 nan 0.000 0.518 536 V N 2.763 122.742 119.914 0.109 0.000 2.364 536 V HA 0.029 4.149 4.120 0.001 0.000 0.252 536 V C 0.825 177.041 176.094 0.204 0.000 1.075 536 V CA -0.115 62.306 62.300 0.202 0.000 1.033 536 V CB 0.280 32.252 31.823 0.247 0.000 1.116 536 V HN 0.559 nan 8.190 nan 0.000 0.488 537 D N 3.767 124.302 120.400 0.225 0.000 2.811 537 D HA -0.133 4.508 4.640 0.001 0.000 0.231 537 D C 0.369 176.637 176.300 -0.052 0.000 1.157 537 D CA 1.800 55.832 54.000 0.053 0.000 0.716 537 D CB -0.971 39.775 40.800 -0.090 0.000 1.077 537 D HN 1.269 nan 8.370 nan 0.000 0.428 538 G N -1.259 107.496 108.800 -0.074 0.000 2.339 538 G HA2 0.172 4.132 3.960 0.001 0.000 0.381 538 G HA3 0.172 4.132 3.960 0.001 0.000 0.381 538 G C 0.460 175.328 174.900 -0.053 0.000 1.400 538 G CA 0.202 45.231 45.100 -0.118 0.000 1.002 538 G HN 0.140 nan 8.290 nan 0.000 0.633 539 E N -0.381 119.784 120.200 -0.058 0.000 2.230 539 E HA 0.023 4.373 4.350 0.001 0.000 0.192 539 E C 0.657 177.264 176.600 0.011 0.000 0.987 539 E CA 0.340 56.731 56.400 -0.014 0.000 0.841 539 E CB 0.086 29.760 29.700 -0.043 0.000 0.783 539 E HN 0.284 nan 8.360 nan 0.000 0.481 540 N N 2.274 120.975 118.700 0.002 0.000 2.448 540 N HA 0.148 4.889 4.740 0.001 0.000 0.250 540 N C -1.063 174.466 175.510 0.030 0.000 1.136 540 N CA 0.173 53.234 53.050 0.018 0.000 0.953 540 N CB 0.388 38.880 38.487 0.008 0.000 1.251 540 N HN 0.239 nan 8.380 nan 0.000 0.502 541 N N -0.124 118.605 118.700 0.049 0.000 2.381 541 N HA 0.463 5.203 4.740 0.001 0.000 0.294 541 N C -0.917 174.629 175.510 0.061 0.000 1.216 541 N CA -0.659 52.426 53.050 0.060 0.000 0.803 541 N CB 1.492 40.025 38.487 0.077 0.000 1.372 541 N HN 0.169 nan 8.380 nan 0.000 0.500 542 S N 0.750 116.485 115.700 0.057 0.000 2.570 542 S HA 0.428 4.899 4.470 0.001 0.000 0.286 542 S C -1.330 173.297 174.600 0.046 0.000 1.099 542 S CA -0.605 57.627 58.200 0.053 0.000 0.913 542 S CB 1.707 64.932 63.200 0.042 0.000 1.085 542 S HN 0.368 nan 8.310 nan 0.000 0.480 543 L N 3.127 124.377 121.223 0.046 0.000 2.276 543 L HA 0.661 5.001 4.340 0.001 0.000 0.286 543 L C -1.160 175.701 176.870 -0.014 0.000 1.061 543 L CA -0.068 54.789 54.840 0.029 0.000 0.807 543 L CB 0.711 42.802 42.059 0.054 0.000 1.177 543 L HN 0.459 nan 8.230 nan 0.000 0.429 544 V N 4.799 124.674 119.914 -0.065 0.000 2.604 544 V HA 0.824 4.944 4.120 0.001 0.000 0.305 544 V C 0.095 176.043 176.094 -0.243 0.000 1.043 544 V CA -0.593 61.625 62.300 -0.137 0.000 0.888 544 V CB 1.459 33.209 31.823 -0.122 0.000 0.995 544 V HN 0.960 nan 8.190 nan 0.000 0.429 545 A N 5.836 128.398 122.820 -0.430 0.000 2.312 545 A HA 0.933 5.253 4.320 0.001 0.000 0.326 545 A C -0.470 176.813 177.584 -0.501 0.000 1.172 545 A CA -0.554 51.140 52.037 -0.572 0.000 0.821 545 A CB 0.829 19.165 19.000 -1.107 0.000 1.166 545 A HN 0.834 nan 8.150 nan 0.000 0.493 546 M N 2.655 122.053 119.600 -0.336 0.000 2.106 546 M HA 0.268 4.748 4.480 0.001 0.000 0.288 546 M C -1.681 174.546 176.300 -0.121 0.000 0.941 546 M CA -0.541 54.633 55.300 -0.210 0.000 0.934 546 M CB 1.913 34.393 32.600 -0.200 0.000 1.551 546 M HN 0.529 nan 8.290 nan 0.000 0.437 547 D N 5.099 125.477 120.400 -0.037 0.000 2.427 547 D HA 0.376 5.017 4.640 0.001 0.000 0.226 547 D C -2.459 173.857 176.300 0.027 0.000 1.076 547 D CA -1.414 52.594 54.000 0.013 0.000 0.849 547 D CB 1.082 41.936 40.800 0.090 0.000 1.052 547 D HN 0.144 nan 8.370 nan 0.000 0.515 548 P HA 0.004 nan 4.420 nan 0.000 0.264 548 P C -0.431 176.885 177.300 0.027 0.000 1.193 548 P CA -0.156 62.961 63.100 0.029 0.000 0.763 548 P CB 0.706 32.423 31.700 0.029 0.000 0.810 549 V N 0.974 120.906 119.914 0.030 0.000 3.114 549 V HA 0.543 4.664 4.120 0.001 0.000 0.308 549 V C -0.667 175.440 176.094 0.022 0.000 1.168 549 V CA -1.095 61.220 62.300 0.025 0.000 1.015 549 V CB 2.200 34.041 31.823 0.029 0.000 1.050 549 V HN 0.096 nan 8.190 nan 0.000 0.433 550 V N 3.368 123.292 119.914 0.017 0.000 2.364 550 V HA 0.529 4.650 4.120 0.001 0.000 0.272 550 V C 0.093 176.195 176.094 0.013 0.000 1.036 550 V CA -0.371 61.937 62.300 0.015 0.000 0.880 550 V CB 0.937 32.767 31.823 0.011 0.000 0.991 550 V HN 0.895 nan 8.190 nan 0.000 0.460 551 K N 5.487 125.895 120.400 0.014 0.000 2.259 551 K HA 0.527 4.847 4.320 0.001 0.000 0.252 551 K C -2.827 173.779 176.600 0.010 0.000 0.936 551 K CA -2.245 54.049 56.287 0.012 0.000 0.810 551 K CB 2.248 34.756 32.500 0.015 0.000 1.143 551 K HN 0.242 nan 8.250 nan 0.000 0.427 552 P HA -0.065 nan 4.420 nan 0.000 0.265 552 P C -0.341 176.964 177.300 0.007 0.000 1.187 552 P CA -0.002 63.102 63.100 0.007 0.000 0.766 552 P CB 0.327 32.030 31.700 0.005 0.000 0.820 553 N N 1.679 120.383 118.700 0.007 0.000 2.442 553 N HA 0.070 4.810 4.740 0.001 0.000 0.265 553 N C 0.471 175.984 175.510 0.006 0.000 1.138 553 N CA 0.188 53.242 53.050 0.007 0.000 0.956 553 N CB -0.015 38.475 38.487 0.006 0.000 1.067 553 N HN 0.321 nan 8.380 nan 0.000 0.474 554 T N 0.077 114.635 114.554 0.006 0.000 3.129 554 T HA 0.373 4.723 4.350 0.001 0.000 0.267 554 T C 0.870 175.573 174.700 0.005 0.000 1.018 554 T CA -0.007 62.096 62.100 0.006 0.000 0.903 554 T CB 0.112 68.983 68.868 0.006 0.000 1.067 554 T HN 0.391 nan 8.240 nan 0.000 0.549 555 A N 0.798 123.621 122.820 0.005 0.000 2.387 555 A HA 0.755 5.076 4.320 0.001 0.000 0.234 555 A C 1.310 178.897 177.584 0.004 0.000 1.253 555 A CA 0.048 52.088 52.037 0.005 0.000 0.894 555 A CB -0.638 18.366 19.000 0.005 0.000 0.963 555 A HN 1.393 nan 8.150 nan 0.000 0.508 556 G N -1.921 106.881 108.800 0.004 0.000 2.758 556 G HA2 0.496 4.456 3.960 0.001 0.000 0.686 556 G HA3 0.496 4.456 3.960 0.001 0.000 0.686 556 G C 0.640 175.542 174.900 0.003 0.000 1.389 556 G CA -0.157 44.945 45.100 0.003 0.000 0.845 556 G HN 2.501 nan 8.290 nan 0.000 0.572 557 G N -0.304 108.498 108.800 0.003 0.000 2.566 557 G HA2 0.355 4.316 3.960 0.001 0.000 0.599 557 G HA3 0.355 4.316 3.960 0.001 0.000 0.599 557 G C -0.977 173.925 174.900 0.003 0.000 1.292 557 G CA 0.521 45.623 45.100 0.003 0.000 0.922 557 G HN 1.382 nan 8.290 nan 0.000 0.514 558 P HA 0.158 nan 4.420 nan 0.000 0.227 558 P C 0.839 178.141 177.300 0.003 0.000 1.161 558 P CA 0.375 63.477 63.100 0.003 0.000 0.788 558 P CB 0.163 31.864 31.700 0.003 0.000 0.822 559 R N 0.332 120.835 120.500 0.004 0.000 2.491 559 R HA 0.107 4.448 4.340 0.001 0.000 0.283 559 R C 1.430 177.732 176.300 0.005 0.000 1.072 559 R CA 0.650 56.752 56.100 0.004 0.000 1.048 559 R CB 0.124 30.427 30.300 0.005 0.000 0.983 559 R HN 0.172 nan 8.270 nan 0.000 0.450 560 T N -2.321 112.236 114.554 0.005 0.000 3.067 560 T HA -0.005 4.346 4.350 0.001 0.000 0.261 560 T C 0.776 175.480 174.700 0.005 0.000 1.110 560 T CA 0.427 62.530 62.100 0.005 0.000 1.113 560 T CB 0.143 69.014 68.868 0.004 0.000 0.917 560 T HN 0.545 nan 8.240 nan 0.000 0.499 561 S N 0.546 116.250 115.700 0.006 0.000 2.618 561 S HA 0.714 5.185 4.470 0.001 0.000 0.277 561 S C -0.507 174.098 174.600 0.009 0.000 1.138 561 S CA -0.549 57.656 58.200 0.008 0.000 0.844 561 S CB 2.026 65.231 63.200 0.008 0.000 1.127 561 S HN 0.635 nan 8.310 nan 0.000 0.474 562 T N -1.570 112.990 114.554 0.011 0.000 2.888 562 T HA 0.729 5.080 4.350 0.001 0.000 0.288 562 T C -0.665 174.044 174.700 0.015 0.000 1.063 562 T CA -1.023 61.084 62.100 0.012 0.000 1.010 562 T CB 1.150 70.025 68.868 0.013 0.000 1.214 562 T HN 0.664 nan 8.240 nan 0.000 0.533 563 M N 1.767 121.378 119.600 0.018 0.000 2.114 563 M HA 0.450 4.930 4.480 0.001 0.000 0.332 563 M C -0.379 175.937 176.300 0.027 0.000 1.014 563 M CA -0.475 54.838 55.300 0.022 0.000 0.956 563 M CB 1.651 34.265 32.600 0.023 0.000 1.551 563 M HN 0.607 nan 8.290 nan 0.000 0.427 564 Q N 1.493 121.311 119.800 0.030 0.000 2.528 564 Q HA 0.775 5.116 4.340 0.001 0.000 0.289 564 Q C -1.373 174.652 176.000 0.041 0.000 1.091 564 Q CA -1.110 54.714 55.803 0.035 0.000 0.797 564 Q CB 3.508 32.264 28.738 0.030 0.000 1.466 564 Q HN 0.463 nan 8.270 nan 0.000 0.436 565 V N 1.811 121.753 119.914 0.047 0.000 2.495 565 V HA 0.316 4.436 4.120 0.001 0.000 0.298 565 V C -0.792 175.338 176.094 0.060 0.000 1.031 565 V CA -0.928 61.403 62.300 0.051 0.000 0.871 565 V CB 1.852 33.707 31.823 0.054 0.000 0.988 565 V HN 0.630 nan 8.190 nan 0.000 0.432 566 N N 4.197 122.945 118.700 0.080 0.000 2.420 566 N HA 0.260 5.001 4.740 0.001 0.000 0.249 566 N C -0.510 175.096 175.510 0.159 0.000 1.033 566 N CA -0.040 53.093 53.050 0.138 0.000 0.944 566 N CB 1.619 40.219 38.487 0.189 0.000 1.113 566 N HN 0.743 nan 8.380 nan 0.000 0.502 567 Q N 2.996 122.880 119.800 0.141 0.000 2.322 567 Q HA 0.397 4.737 4.340 0.001 0.000 0.265 567 Q C -1.612 174.482 176.000 0.158 0.000 0.985 567 Q CA -0.793 55.036 55.803 0.044 0.000 0.849 567 Q CB 0.812 29.560 28.738 0.017 0.000 1.274 567 Q HN 0.590 nan 8.270 nan 0.000 0.449 568 Y N 0.408 120.705 120.300 -0.005 0.000 2.552 568 Y HA 0.515 5.066 4.550 0.001 0.000 0.337 568 Y C -1.275 174.627 175.900 0.003 0.000 1.094 568 Y CA -1.543 56.557 58.100 0.001 0.000 1.028 568 Y CB 0.724 39.185 38.460 0.002 0.000 1.321 568 Y HN 0.478 nan 8.280 nan 0.000 0.456 569 N N 1.731 120.508 118.700 0.127 0.000 2.530 569 N HA 0.390 5.131 4.740 0.001 0.000 0.273 569 N C -1.062 174.531 175.510 0.139 0.000 1.173 569 N CA -0.154 52.942 53.050 0.076 0.000 0.967 569 N CB 0.781 39.310 38.487 0.070 0.000 1.109 569 N HN 0.680 nan 8.380 nan 0.000 0.453 570 I N 0.977 121.600 120.570 0.089 0.000 2.306 570 I HA 0.251 4.421 4.170 0.001 0.000 0.288 570 I C 1.319 177.490 176.117 0.090 0.000 1.036 570 I CA -0.290 61.079 61.300 0.114 0.000 1.221 570 I CB 1.280 39.332 38.000 0.088 0.000 1.385 570 I HN 0.694 nan 8.210 nan 0.000 0.472 571 G N 5.037 113.891 108.800 0.089 0.000 2.939 571 G HA2 0.017 3.978 3.960 0.001 0.000 0.210 571 G HA3 0.017 3.978 3.960 0.001 0.000 0.210 571 G C 0.248 175.194 174.900 0.076 0.000 1.160 571 G CA 0.087 45.233 45.100 0.076 0.000 0.770 571 G HN 0.662 nan 8.290 nan 0.000 0.543 572 N N -1.751 116.997 118.700 0.080 0.000 2.610 572 N HA 0.212 4.953 4.740 0.001 0.000 0.264 572 N C 0.263 175.830 175.510 0.095 0.000 1.348 572 N CA -0.827 52.273 53.050 0.084 0.000 0.819 572 N CB 0.879 39.409 38.487 0.072 0.000 1.521 572 N HN -0.061 nan 8.380 nan 0.000 0.497 573 E N -0.459 119.807 120.200 0.111 0.000 2.118 573 E HA -0.271 4.080 4.350 0.001 0.000 0.195 573 E C 0.911 177.578 176.600 0.111 0.000 0.992 573 E CA 1.336 57.819 56.400 0.139 0.000 0.804 573 E CB 0.020 29.818 29.700 0.164 0.000 0.741 573 E HN 0.635 nan 8.360 nan 0.000 0.458 574 Q N 0.753 120.604 119.800 0.084 0.000 2.049 574 Q HA -0.145 4.196 4.340 0.001 0.000 0.198 574 Q C 1.440 177.448 176.000 0.013 0.000 0.971 574 Q CA 1.449 57.283 55.803 0.052 0.000 0.833 574 Q CB 0.222 28.991 28.738 0.051 0.000 0.896 574 Q HN 0.152 nan 8.270 nan 0.000 0.434 575 D N -0.534 119.884 120.400 0.031 0.000 2.269 575 D HA -0.060 4.581 4.640 0.001 0.000 0.208 575 D C 1.280 177.592 176.300 0.021 0.000 0.963 575 D CA 1.048 55.063 54.000 0.025 0.000 0.864 575 D CB -0.091 40.741 40.800 0.054 0.000 0.936 575 D HN 0.365 nan 8.370 nan 0.000 0.505 576 A N 0.588 123.429 122.820 0.035 0.000 2.119 576 A HA 0.228 4.549 4.320 0.001 0.000 0.217 576 A C 1.428 178.985 177.584 -0.045 0.000 1.153 576 A CA 0.649 52.712 52.037 0.042 0.000 0.692 576 A CB -0.141 18.923 19.000 0.107 0.000 0.799 576 A HN 0.160 nan 8.150 nan 0.000 0.458 577 A N 0.969 123.695 122.820 -0.158 0.000 2.437 577 A HA 0.517 4.837 4.320 0.001 0.000 0.303 577 A C 0.132 177.439 177.584 -0.462 0.000 1.324 577 A CA -0.133 51.580 52.037 -0.539 0.000 0.983 577 A CB -0.474 18.099 19.000 -0.712 0.000 1.142 577 A HN 0.688 nan 8.150 nan 0.000 0.541 578 Q N 1.981 121.540 119.800 -0.402 0.000 2.590 578 Q HA 0.494 4.834 4.340 0.001 0.000 0.295 578 Q C -1.166 174.771 176.000 -0.104 0.000 0.973 578 Q CA -1.300 54.387 55.803 -0.193 0.000 0.768 578 Q CB 0.989 29.689 28.738 -0.063 0.000 1.479 578 Q HN 0.340 nan 8.270 nan 0.000 0.419 579 K N 0.653 121.034 120.400 -0.032 0.000 2.276 579 K HA 0.226 4.547 4.320 0.001 0.000 0.259 579 K C -0.845 175.836 176.600 0.135 0.000 1.001 579 K CA -0.057 56.256 56.287 0.043 0.000 0.927 579 K CB 0.271 32.783 32.500 0.019 0.000 0.969 579 K HN 0.576 nan 8.250 nan 0.000 0.490 580 F N 2.098 122.059 119.950 0.019 0.000 2.388 580 F HA 0.115 4.642 4.527 0.001 0.000 0.358 580 F C -0.199 175.630 175.800 0.050 0.000 1.122 580 F CA -1.397 56.633 58.000 0.049 0.000 1.056 580 F CB 0.828 39.887 39.000 0.098 0.000 1.155 580 F HN 0.360 nan 8.300 nan 0.000 0.461 581 D N 8.766 128.798 120.400 -0.613 0.000 2.359 581 D HA 0.303 4.943 4.640 0.001 0.000 0.230 581 D C -1.947 173.782 176.300 -0.952 0.000 1.118 581 D CA -2.661 51.011 54.000 -0.546 0.000 0.844 581 D CB 1.803 42.436 40.800 -0.278 0.000 1.059 581 D HN 0.267 nan 8.370 nan 0.000 0.493 582 P HA 0.042 nan 4.420 nan 0.000 0.239 582 P C 1.074 178.286 177.300 -0.146 0.000 1.184 582 P CA 0.316 63.223 63.100 -0.321 0.000 0.760 582 P CB 0.256 32.075 31.700 0.198 0.000 0.884 583 G N -0.254 108.440 108.800 -0.175 0.000 2.880 583 G HA2 0.004 3.965 3.960 0.001 0.000 0.209 583 G HA3 0.004 3.965 3.960 0.001 0.000 0.209 583 G C 0.658 175.507 174.900 -0.086 0.000 1.157 583 G CA 0.489 45.541 45.100 -0.080 0.000 0.779 583 G HN 0.425 nan 8.290 nan 0.000 0.539 584 T N -1.797 112.656 114.554 -0.169 0.000 2.949 584 T HA 0.722 5.072 4.350 0.001 0.000 0.287 584 T C -0.506 174.156 174.700 -0.064 0.000 1.034 584 T CA -0.859 61.171 62.100 -0.117 0.000 1.018 584 T CB 2.302 71.085 68.868 -0.141 0.000 1.135 584 T HN -0.083 nan 8.240 nan 0.000 0.532 585 I N 1.322 121.846 120.570 -0.076 0.000 2.406 585 I HA 0.492 4.662 4.170 0.001 0.000 0.290 585 I C -0.019 176.019 176.117 -0.132 0.000 0.999 585 I CA -1.009 60.219 61.300 -0.120 0.000 1.124 585 I CB 1.628 39.440 38.000 -0.312 0.000 1.289 585 I HN 0.401 nan 8.210 nan 0.000 0.441 586 R N 7.219 127.693 120.500 -0.043 0.000 2.439 586 R HA 0.627 4.968 4.340 0.001 0.000 0.310 586 R C -1.190 175.042 176.300 -0.114 0.000 0.955 586 R CA -0.734 55.332 56.100 -0.056 0.000 0.853 586 R CB 1.784 32.136 30.300 0.088 0.000 1.171 586 R HN 0.557 nan 8.270 nan 0.000 0.449 587 L N 3.090 124.211 121.223 -0.170 0.000 2.331 587 L HA 0.500 4.841 4.340 0.001 0.000 0.275 587 L C -0.218 176.636 176.870 -0.027 0.000 1.022 587 L CA -1.292 53.465 54.840 -0.138 0.000 0.812 587 L CB 1.476 43.383 42.059 -0.253 0.000 1.257 587 L HN 0.217 nan 8.230 nan 0.000 0.435 588 L N 2.071 123.323 121.223 0.048 0.000 2.264 588 L HA 0.396 4.737 4.340 0.001 0.000 0.287 588 L C -0.224 176.709 176.870 0.104 0.000 1.039 588 L CA 0.471 55.359 54.840 0.080 0.000 0.829 588 L CB 0.977 43.100 42.059 0.107 0.000 1.211 588 L HN 0.529 nan 8.230 nan 0.000 0.427 589 S N 3.565 119.308 115.700 0.072 0.000 2.593 589 S HA 0.453 4.924 4.470 0.001 0.000 0.297 589 S C -0.364 174.284 174.600 0.079 0.000 1.112 589 S CA -0.740 57.510 58.200 0.084 0.000 1.043 589 S CB 1.299 64.526 63.200 0.046 0.000 1.054 589 S HN 0.614 nan 8.310 nan 0.000 0.516 590 N N 2.871 121.617 118.700 0.078 0.000 2.462 590 N HA 0.240 4.981 4.740 0.001 0.000 0.242 590 N C -1.945 173.579 175.510 0.024 0.000 1.010 590 N CA -1.994 51.083 53.050 0.045 0.000 0.939 590 N CB 1.265 39.768 38.487 0.027 0.000 1.127 590 N HN 0.255 nan 8.380 nan 0.000 0.509 591 P HA 0.013 nan 4.420 nan 0.000 0.242 591 P C 0.006 177.308 177.300 0.004 0.000 1.197 591 P CA 0.687 63.796 63.100 0.016 0.000 0.765 591 P CB 0.487 32.200 31.700 0.020 0.000 0.936 592 N N -0.088 118.609 118.700 -0.005 0.000 2.254 592 N HA 0.085 4.826 4.740 0.001 0.000 0.190 592 N C 0.285 175.776 175.510 -0.032 0.000 1.107 592 N CA 0.309 53.349 53.050 -0.016 0.000 0.869 592 N CB 0.752 39.228 38.487 -0.018 0.000 0.983 592 N HN 0.299 nan 8.380 nan 0.000 0.487 593 K N 1.074 121.450 120.400 -0.040 0.000 2.513 593 K HA 0.366 4.687 4.320 0.001 0.000 0.251 593 K C -0.768 175.789 176.600 -0.072 0.000 0.939 593 K CA -0.415 55.831 56.287 -0.069 0.000 0.793 593 K CB 2.517 34.954 32.500 -0.106 0.000 1.241 593 K HN -0.008 nan 8.250 nan 0.000 0.431 594 E N 1.633 121.788 120.200 -0.075 0.000 2.263 594 E HA 0.188 4.539 4.350 0.001 0.000 0.264 594 E C -0.473 176.072 176.600 -0.093 0.000 0.923 594 E CA -1.125 55.237 56.400 -0.064 0.000 0.802 594 E CB 1.509 31.187 29.700 -0.038 0.000 1.228 594 E HN 0.562 nan 8.360 nan 0.000 0.417 595 N N 0.874 119.525 118.700 -0.082 0.000 2.366 595 N HA 0.020 4.761 4.740 0.001 0.000 0.277 595 N C 0.680 176.157 175.510 -0.055 0.000 1.275 595 N CA -0.364 52.634 53.050 -0.087 0.000 0.964 595 N CB 0.586 39.026 38.487 -0.079 0.000 1.167 595 N HN 0.516 nan 8.380 nan 0.000 0.568 596 R N -1.167 119.306 120.500 -0.045 0.000 2.285 596 R HA 0.059 4.400 4.340 0.001 0.000 0.213 596 R C 0.501 176.784 176.300 -0.028 0.000 1.068 596 R CA 0.941 57.020 56.100 -0.034 0.000 1.004 596 R CB -0.130 30.153 30.300 -0.027 0.000 0.873 596 R HN 0.507 nan 8.270 nan 0.000 0.467 597 M N -0.586 118.998 119.600 -0.027 0.000 2.383 597 M HA 0.296 4.776 4.480 0.001 0.000 0.247 597 M C 0.749 177.042 176.300 -0.013 0.000 1.117 597 M CA 0.550 55.838 55.300 -0.021 0.000 0.995 597 M CB 1.454 34.040 32.600 -0.024 0.000 1.480 597 M HN 0.333 nan 8.290 nan 0.000 0.485 598 G N 0.344 109.135 108.800 -0.016 0.000 2.143 598 G HA2 -0.235 3.726 3.960 0.001 0.000 0.249 598 G HA3 -0.235 3.726 3.960 0.001 0.000 0.249 598 G C 0.019 174.920 174.900 0.002 0.000 0.981 598 G CA -0.241 44.853 45.100 -0.009 0.000 0.665 598 G HN 0.435 nan 8.290 nan 0.000 0.528 599 N N 1.325 120.028 118.700 0.005 0.000 2.456 599 N HA 0.477 5.217 4.740 0.001 0.000 0.288 599 N C -2.666 172.861 175.510 0.028 0.000 1.059 599 N CA -1.448 51.622 53.050 0.033 0.000 0.946 599 N CB 1.592 40.113 38.487 0.057 0.000 1.150 599 N HN 0.019 nan 8.380 nan 0.000 0.479 600 P HA -0.034 nan 4.420 nan 0.000 0.267 600 P C -0.084 177.252 177.300 0.060 0.000 1.205 600 P CA -0.315 62.806 63.100 0.036 0.000 0.765 600 P CB 0.341 32.067 31.700 0.043 0.000 0.828 601 V N 1.529 121.448 119.914 0.008 0.000 2.529 601 V HA 0.439 4.560 4.120 0.001 0.000 0.292 601 V C 0.006 176.210 176.094 0.183 0.000 1.028 601 V CA 0.259 62.565 62.300 0.010 0.000 1.074 601 V CB -0.119 31.561 31.823 -0.237 0.000 0.958 601 V HN 0.486 nan 8.190 nan 0.000 0.481 602 S N 3.158 119.041 115.700 0.304 0.000 2.618 602 S HA 0.735 5.205 4.470 0.001 0.000 0.277 602 S C -1.407 173.382 174.600 0.315 0.000 1.138 602 S CA -0.511 57.875 58.200 0.309 0.000 0.844 602 S CB 1.651 64.974 63.200 0.204 0.000 1.127 602 S HN 0.704 nan 8.310 nan 0.000 0.474 603 Y N 1.814 122.190 120.300 0.126 0.000 2.364 603 Y HA 0.443 4.994 4.550 0.001 0.000 0.340 603 Y C 0.265 176.195 175.900 0.050 0.000 0.975 603 Y CA -0.497 57.646 58.100 0.072 0.000 1.089 603 Y CB 1.533 39.994 38.460 0.001 0.000 1.192 603 Y HN 0.612 nan 8.280 nan 0.000 0.454 604 Q N 4.435 124.307 119.800 0.120 0.000 2.274 604 Q HA 0.481 4.822 4.340 0.001 0.000 0.256 604 Q C -1.364 174.680 176.000 0.074 0.000 0.927 604 Q CA -0.370 55.465 55.803 0.053 0.000 0.939 604 Q CB 0.649 29.449 28.738 0.104 0.000 1.201 604 Q HN 0.721 nan 8.270 nan 0.000 0.426 605 I N 5.994 126.581 120.570 0.028 0.000 2.312 605 I HA 0.298 4.469 4.170 0.001 0.000 0.290 605 I C -0.443 175.596 176.117 -0.131 0.000 1.008 605 I CA -0.497 60.794 61.300 -0.016 0.000 1.226 605 I CB 1.035 39.033 38.000 -0.003 0.000 1.371 605 I HN 0.596 nan 8.210 nan 0.000 0.468 606 I N 8.606 129.070 120.570 -0.177 0.000 2.537 606 I HA 0.260 4.430 4.170 0.001 0.000 0.276 606 I C -1.922 173.992 176.117 -0.337 0.000 1.063 606 I CA -1.451 59.667 61.300 -0.304 0.000 1.144 606 I CB 1.413 39.386 38.000 -0.046 0.000 1.252 606 I HN 0.331 nan 8.210 nan 0.000 0.480 607 P HA -0.112 nan 4.420 nan 0.000 0.229 607 P C -0.350 176.977 177.300 0.046 0.000 1.160 607 P CA 1.028 64.004 63.100 -0.206 0.000 0.777 607 P CB 0.025 31.598 31.700 -0.212 0.000 0.814 608 Y N -0.124 120.122 120.300 -0.089 0.000 2.402 608 Y HA 0.615 5.166 4.550 0.001 0.000 0.325 608 Y C -0.106 175.914 175.900 0.199 0.000 1.009 608 Y CA -1.247 56.949 58.100 0.159 0.000 1.278 608 Y CB 0.773 39.417 38.460 0.307 0.000 1.105 608 Y HN -0.174 nan 8.280 nan 0.000 0.476 609 A N 3.896 126.537 122.820 -0.298 0.000 2.594 609 A HA 0.734 5.055 4.320 0.001 0.000 0.287 609 A C 0.719 178.100 177.584 -0.339 0.000 1.227 609 A CA 0.240 52.123 52.037 -0.255 0.000 0.952 609 A CB -0.606 18.344 19.000 -0.085 0.000 1.161 609 A HN 1.580 nan 8.150 nan 0.000 0.524 610 G N -2.175 106.167 108.800 -0.764 0.000 2.381 610 G HA2 0.529 4.489 3.960 0.001 0.000 0.672 610 G HA3 0.529 4.489 3.960 0.001 0.000 0.672 610 G C -0.242 174.654 174.900 -0.006 0.000 1.324 610 G CA -0.260 44.632 45.100 -0.347 0.000 0.975 610 G HN 1.951 nan 8.290 nan 0.000 0.593 611 G N -2.206 106.673 108.800 0.131 0.000 2.489 611 G HA2 0.732 4.693 3.960 0.001 0.000 0.291 611 G HA3 0.732 4.693 3.960 0.001 0.000 0.291 611 G C 0.401 175.378 174.900 0.128 0.000 1.487 611 G CA 0.930 46.090 45.100 0.100 0.000 0.795 611 G HN 1.988 nan 8.290 nan 0.000 0.513 612 T N -2.599 111.995 114.554 0.067 0.000 3.040 612 T HA 0.317 4.668 4.350 0.001 0.000 0.250 612 T C 0.535 175.244 174.700 0.016 0.000 1.058 612 T CA 0.410 62.532 62.100 0.036 0.000 0.988 612 T CB 0.090 68.955 68.868 -0.005 0.000 0.993 612 T HN 0.443 nan 8.240 nan 0.000 0.519 613 H N 1.554 120.639 119.070 0.025 0.000 2.651 613 H HA 0.577 5.133 4.556 0.001 0.000 0.353 613 H C -2.473 172.883 175.328 0.048 0.000 1.178 613 H CA -2.450 53.597 56.048 -0.002 0.000 1.224 613 H CB 1.108 30.838 29.762 -0.054 0.000 1.702 613 H HN 0.023 nan 8.280 nan 0.000 0.550 614 P HA -0.070 nan 4.420 nan 0.000 0.266 614 P C -0.343 177.017 177.300 0.099 0.000 1.193 614 P CA 0.078 63.233 63.100 0.092 0.000 0.770 614 P CB 0.571 32.284 31.700 0.022 0.000 0.836 615 V N 2.188 122.147 119.914 0.075 0.000 2.607 615 V HA 0.520 4.640 4.120 0.001 0.000 0.289 615 V C -0.063 176.023 176.094 -0.013 0.000 1.053 615 V CA -0.602 61.720 62.300 0.037 0.000 0.996 615 V CB 0.885 32.642 31.823 -0.109 0.000 0.995 615 V HN 0.688 nan 8.190 nan 0.000 0.476 616 A N 5.444 128.270 122.820 0.009 0.000 2.302 616 A HA 0.437 4.758 4.320 0.001 0.000 0.295 616 A C 0.788 178.363 177.584 -0.016 0.000 1.235 616 A CA -0.400 51.638 52.037 0.001 0.000 0.876 616 A CB 0.228 19.244 19.000 0.027 0.000 1.133 616 A HN 0.983 nan 8.150 nan 0.000 0.533 617 K N 2.344 122.730 120.400 -0.024 0.000 2.418 617 K HA 0.325 4.646 4.320 0.001 0.000 0.195 617 K C 0.921 177.533 176.600 0.020 0.000 1.035 617 K CA 0.743 57.016 56.287 -0.025 0.000 1.003 617 K CB 0.213 32.694 32.500 -0.031 0.000 0.793 617 K HN 0.789 nan 8.250 nan 0.000 0.494 618 G N 0.393 109.215 108.800 0.037 0.000 2.428 618 G HA2 0.481 4.441 3.960 0.001 0.000 0.305 618 G HA3 0.481 4.441 3.960 0.001 0.000 0.305 618 G C -1.723 173.226 174.900 0.081 0.000 1.260 618 G CA -0.566 44.576 45.100 0.070 0.000 0.853 618 G HN 0.087 nan 8.290 nan 0.000 0.480 619 A N -0.059 122.846 122.820 0.142 0.000 2.366 619 A HA 0.566 4.887 4.320 0.001 0.000 0.272 619 A C 0.418 178.136 177.584 0.224 0.000 1.135 619 A CA -0.178 51.997 52.037 0.230 0.000 0.804 619 A CB 0.375 19.581 19.000 0.344 0.000 1.064 619 A HN 0.394 nan 8.150 nan 0.000 0.499 620 Q N 2.023 121.871 119.800 0.079 0.000 3.223 620 Q HA 0.226 4.566 4.340 0.001 0.000 0.299 620 Q C -1.529 174.279 176.000 -0.321 0.000 1.385 620 Q CA 0.655 56.393 55.803 -0.109 0.000 0.942 620 Q CB -0.625 27.993 28.738 -0.199 0.000 1.748 620 Q HN 0.580 nan 8.270 nan 0.000 0.523 621 F N -0.493 119.504 119.950 0.079 0.000 2.578 621 F HA 0.474 5.002 4.527 0.001 0.000 0.311 621 F C 0.314 176.092 175.800 -0.037 0.000 1.094 621 F CA -1.182 56.862 58.000 0.074 0.000 0.923 621 F CB 1.158 40.265 39.000 0.177 0.000 1.230 621 F HN 0.113 nan 8.300 nan 0.000 0.450 622 A N 3.758 126.638 122.820 0.100 0.000 2.507 622 A HA 0.274 4.595 4.320 0.001 0.000 0.235 622 A C -1.593 175.816 177.584 -0.290 0.000 1.070 622 A CA -0.821 51.174 52.037 -0.070 0.000 0.768 622 A CB -0.300 18.677 19.000 -0.039 0.000 1.011 622 A HN 0.586 nan 8.150 nan 0.000 0.502 623 P HA -0.111 nan 4.420 nan 0.000 0.226 623 P C 0.259 177.298 177.300 -0.434 0.000 1.153 623 P CA 1.402 64.006 63.100 -0.828 0.000 0.777 623 P CB -0.025 31.375 31.700 -0.500 0.000 0.794 624 D N -1.461 118.792 120.400 -0.246 0.000 2.339 624 D HA -0.028 4.613 4.640 0.001 0.000 0.217 624 D C 0.359 176.562 176.300 -0.161 0.000 1.050 624 D CA 0.071 53.951 54.000 -0.200 0.000 0.856 624 D CB -0.490 40.217 40.800 -0.155 0.000 0.922 624 D HN 0.063 nan 8.370 nan 0.000 0.518 625 E N 0.101 120.283 120.200 -0.031 0.000 2.413 625 E HA -0.059 4.291 4.350 0.001 0.000 0.263 625 E C 0.349 176.961 176.600 0.020 0.000 1.015 625 E CA -0.183 56.269 56.400 0.086 0.000 0.916 625 E CB 0.624 30.470 29.700 0.243 0.000 0.947 625 E HN 0.311 nan 8.360 nan 0.000 0.440 626 W N 2.138 123.480 121.300 0.070 0.000 2.355 626 W HA -0.131 4.530 4.660 0.001 0.000 0.309 626 W C 2.250 178.757 176.519 -0.020 0.000 1.206 626 W CA 0.349 57.718 57.345 0.041 0.000 1.284 626 W CB -0.216 29.176 29.460 -0.114 0.000 1.145 626 W HN 0.605 nan 8.180 nan 0.000 0.502 627 I N -0.596 120.000 120.570 0.044 0.000 2.264 627 I HA -0.379 3.792 4.170 0.001 0.000 0.248 627 I C 2.407 178.404 176.117 -0.199 0.000 1.111 627 I CA 1.566 62.770 61.300 -0.161 0.000 1.382 627 I CB -0.365 37.403 38.000 -0.386 0.000 1.060 627 I HN 0.079 nan 8.210 nan 0.000 0.418 628 Y N 0.851 120.985 120.300 -0.278 0.000 2.128 628 Y HA -0.400 4.151 4.550 0.001 0.000 0.284 628 Y C 2.668 178.547 175.900 -0.035 0.000 1.154 628 Y CA 2.463 60.471 58.100 -0.153 0.000 1.149 628 Y CB -0.571 37.857 38.460 -0.054 0.000 0.976 628 Y HN 0.372 nan 8.280 nan 0.000 0.505 629 H N 0.140 119.281 119.070 0.117 0.000 2.319 629 H HA -0.137 4.420 4.556 0.001 0.000 0.299 629 H C 2.200 177.531 175.328 0.005 0.000 1.092 629 H CA 2.407 58.487 56.048 0.052 0.000 1.302 629 H CB -0.125 29.623 29.762 -0.022 0.000 1.373 629 H HN 0.286 nan 8.280 nan 0.000 0.497 630 R N -0.479 119.996 120.500 -0.041 0.000 2.115 630 R HA 0.099 4.439 4.340 0.001 0.000 0.226 630 R C 0.297 176.484 176.300 -0.189 0.000 1.100 630 R CA 0.970 56.986 56.100 -0.140 0.000 0.980 630 R CB 0.247 30.537 30.300 -0.017 0.000 0.875 630 R HN 0.250 nan 8.270 nan 0.000 0.445 631 L N 1.471 122.573 121.223 -0.202 0.000 2.506 631 L HA 0.241 4.581 4.340 0.001 0.000 0.247 631 L C 0.659 177.338 176.870 -0.319 0.000 1.141 631 L CA -0.395 54.333 54.840 -0.186 0.000 0.973 631 L CB 1.606 43.548 42.059 -0.194 0.000 1.319 631 L HN 0.106 nan 8.230 nan 0.000 0.455 632 S N 0.414 115.967 115.700 -0.244 0.000 2.442 632 S HA -0.219 4.252 4.470 0.001 0.000 0.236 632 S C 1.688 176.290 174.600 0.003 0.000 1.007 632 S CA 0.873 58.967 58.200 -0.177 0.000 0.965 632 S CB -0.473 62.718 63.200 -0.014 0.000 0.773 632 S HN 0.702 nan 8.310 nan 0.000 0.504 633 F N 1.535 121.338 119.950 -0.246 0.000 2.269 633 F HA 0.116 4.644 4.527 0.001 0.000 0.301 633 F C 1.994 177.847 175.800 0.089 0.000 1.082 633 F CA 0.512 58.402 58.000 -0.183 0.000 1.360 633 F CB -0.834 37.898 39.000 -0.446 0.000 1.041 633 F HN 0.049 nan 8.300 nan 0.000 0.512 634 M N 0.429 119.570 119.600 -0.764 0.000 2.267 634 M HA -0.210 4.271 4.480 0.001 0.000 0.263 634 M C 1.073 177.296 176.300 -0.128 0.000 1.063 634 M CA 1.967 56.939 55.300 -0.547 0.000 1.090 634 M CB -0.496 31.794 32.600 -0.516 0.000 1.392 634 M HN 0.207 nan 8.290 nan 0.000 0.422 635 D N -0.281 120.103 120.400 -0.026 0.000 2.379 635 D HA 0.068 4.709 4.640 0.001 0.000 0.208 635 D C -0.246 176.111 176.300 0.095 0.000 1.065 635 D CA 0.435 54.467 54.000 0.053 0.000 0.848 635 D CB 0.598 41.418 40.800 0.034 0.000 0.949 635 D HN -0.049 nan 8.370 nan 0.000 0.509 636 K N 0.064 120.571 120.400 0.178 0.000 2.375 636 K HA 0.339 4.660 4.320 0.001 0.000 0.249 636 K C 0.139 176.867 176.600 0.214 0.000 0.942 636 K CA -0.492 55.816 56.287 0.035 0.000 0.806 636 K CB 1.718 33.941 32.500 -0.461 0.000 1.227 636 K HN -0.206 nan 8.250 nan 0.000 0.430 637 Q N 0.114 120.005 119.800 0.152 0.000 2.376 637 Q HA 0.159 4.500 4.340 0.001 0.000 0.206 637 Q C -0.143 176.009 176.000 0.253 0.000 0.921 637 Q CA 0.319 56.269 55.803 0.245 0.000 0.911 637 Q CB 0.342 29.229 28.738 0.248 0.000 1.032 637 Q HN 0.332 nan 8.270 nan 0.000 0.510 638 L N 0.006 121.308 121.223 0.131 0.000 2.385 638 L HA 0.572 4.913 4.340 0.001 0.000 0.273 638 L C -2.005 174.877 176.870 0.019 0.000 0.990 638 L CA -0.540 54.399 54.840 0.164 0.000 0.821 638 L CB 1.078 43.209 42.059 0.121 0.000 1.279 638 L HN -0.006 nan 8.230 nan 0.000 0.412 639 W N 4.220 125.651 121.300 0.217 0.000 2.844 639 W HA 0.799 5.460 4.660 0.001 0.000 0.340 639 W C -1.133 175.571 176.519 0.308 0.000 1.093 639 W CA -0.847 56.616 57.345 0.197 0.000 1.212 639 W CB 2.068 31.577 29.460 0.081 0.000 1.422 639 W HN 0.271 nan 8.180 nan 0.000 0.515 640 V N 2.240 122.437 119.914 0.472 0.000 2.623 640 V HA 0.722 4.843 4.120 0.001 0.000 0.304 640 V C -0.259 176.069 176.094 0.389 0.000 1.054 640 V CA -0.865 61.694 62.300 0.431 0.000 0.882 640 V CB 1.616 33.603 31.823 0.273 0.000 1.002 640 V HN 0.588 nan 8.190 nan 0.000 0.424 641 T N 1.542 116.366 114.554 0.451 0.000 2.916 641 T HA 0.669 5.020 4.350 0.001 0.000 0.292 641 T C -0.308 174.569 174.700 0.295 0.000 1.055 641 T CA -1.006 61.309 62.100 0.359 0.000 1.009 641 T CB 1.721 70.824 68.868 0.392 0.000 1.118 641 T HN 0.499 nan 8.240 nan 0.000 0.497 642 R N 0.679 121.315 120.500 0.226 0.000 2.623 642 R HA 0.160 4.500 4.340 0.001 0.000 0.271 642 R C -0.301 176.129 176.300 0.217 0.000 1.043 642 R CA -0.507 55.714 56.100 0.202 0.000 1.083 642 R CB 0.133 30.526 30.300 0.155 0.000 0.974 642 R HN 0.716 nan 8.270 nan 0.000 0.436 643 Y N 3.342 123.713 120.300 0.117 0.000 2.712 643 Y HA -0.086 4.465 4.550 0.001 0.000 0.333 643 Y C -0.382 175.599 175.900 0.135 0.000 1.225 643 Y CA 0.687 58.847 58.100 0.100 0.000 1.499 643 Y CB 0.218 38.711 38.460 0.055 0.000 1.288 643 Y HN 0.484 nan 8.280 nan 0.000 0.575 644 H N 7.954 126.442 119.070 -0.970 0.000 3.154 644 H HA 0.255 4.811 4.556 0.001 0.000 0.330 644 H C -2.547 172.268 175.328 -0.855 0.000 1.033 644 H CA -2.425 53.114 56.048 -0.848 0.000 1.393 644 H CB 2.107 31.638 29.762 -0.385 0.000 1.951 644 H HN 0.433 nan 8.280 nan 0.000 0.466 645 P HA 0.033 nan 4.420 nan 0.000 0.226 645 P C 1.045 178.267 177.300 -0.129 0.000 1.153 645 P CA 1.283 64.272 63.100 -0.185 0.000 0.777 645 P CB 0.157 31.849 31.700 -0.013 0.000 0.794 646 G N -0.453 108.262 108.800 -0.141 0.000 3.189 646 G HA2 0.020 3.981 3.960 0.001 0.000 0.225 646 G HA3 0.020 3.981 3.960 0.001 0.000 0.225 646 G C 0.197 174.759 174.900 -0.562 0.000 1.159 646 G CA -0.119 44.806 45.100 -0.291 0.000 0.763 646 G HN 0.249 nan 8.290 nan 0.000 0.549 647 E N 0.469 120.212 120.200 -0.761 0.000 2.121 647 E HA 0.366 4.717 4.350 0.001 0.000 0.255 647 E C 0.356 176.652 176.600 -0.507 0.000 0.906 647 E CA -0.364 55.445 56.400 -0.985 0.000 0.745 647 E CB 1.093 29.928 29.700 -1.441 0.000 1.155 647 E HN 0.169 nan 8.360 nan 0.000 0.424 648 R N 1.528 121.760 120.500 -0.446 0.000 2.517 648 R HA 0.198 4.538 4.340 0.001 0.000 0.265 648 R C -0.371 175.627 176.300 -0.503 0.000 0.921 648 R CA 0.078 55.811 56.100 -0.613 0.000 1.054 648 R CB 0.828 30.407 30.300 -1.202 0.000 1.340 648 R HN 0.236 nan 8.270 nan 0.000 0.551 649 F N 1.844 121.967 119.950 0.289 0.000 2.477 649 F HA 0.366 4.893 4.527 0.001 0.000 0.335 649 F C -1.613 174.117 175.800 -0.117 0.000 1.130 649 F CA -2.897 55.154 58.000 0.086 0.000 0.948 649 F CB 1.585 40.544 39.000 -0.068 0.000 1.154 649 F HN -0.251 nan 8.300 nan 0.000 0.439 650 P HA -0.195 nan 4.420 nan 0.000 0.218 650 P C 0.902 177.717 177.300 -0.809 0.000 1.149 650 P CA 1.620 64.294 63.100 -0.710 0.000 0.817 650 P CB 0.239 31.362 31.700 -0.961 0.000 0.785 651 E N 0.474 120.280 120.200 -0.657 0.000 2.489 651 E HA 0.166 4.516 4.350 0.001 0.000 0.193 651 E C 0.795 177.245 176.600 -0.250 0.000 1.057 651 E CA 0.557 56.743 56.400 -0.355 0.000 0.866 651 E CB -0.572 29.010 29.700 -0.198 0.000 0.916 651 E HN 0.181 nan 8.360 nan 0.000 0.500 652 G N 1.887 110.555 108.800 -0.221 0.000 2.675 652 G HA2 -0.266 3.694 3.960 0.001 0.000 0.686 652 G HA3 -0.266 3.694 3.960 0.001 0.000 0.686 652 G C 0.048 174.866 174.900 -0.138 0.000 1.215 652 G CA -0.060 44.949 45.100 -0.151 0.000 0.777 652 G HN 0.164 nan 8.290 nan 0.000 0.638 653 K N -0.508 119.819 120.400 -0.121 0.000 2.148 653 K HA 0.050 4.371 4.320 0.001 0.000 0.204 653 K C 0.294 176.424 176.600 -0.783 0.000 1.050 653 K CA 1.352 57.365 56.287 -0.456 0.000 0.942 653 K CB -0.068 32.204 32.500 -0.381 0.000 0.724 653 K HN 0.528 nan 8.250 nan 0.000 0.446 654 Y N 0.440 120.661 120.300 -0.131 0.000 2.748 654 Y HA 0.270 4.821 4.550 0.001 0.000 0.359 654 Y C -2.050 173.774 175.900 -0.126 0.000 1.030 654 Y CA -2.223 55.803 58.100 -0.123 0.000 1.169 654 Y CB 1.547 39.960 38.460 -0.078 0.000 1.127 654 Y HN 0.111 nan 8.280 nan 0.000 0.644 655 P HA -0.049 nan 4.420 nan 0.000 0.236 655 P C 0.079 177.336 177.300 -0.071 0.000 1.177 655 P CA 0.431 63.481 63.100 -0.084 0.000 0.773 655 P CB 0.522 32.163 31.700 -0.097 0.000 0.878 656 N N 2.061 120.730 118.700 -0.051 0.000 2.416 656 N HA -0.014 4.727 4.740 0.001 0.000 0.265 656 N C 0.373 175.777 175.510 -0.176 0.000 1.195 656 N CA 0.230 53.222 53.050 -0.097 0.000 0.943 656 N CB -0.449 37.995 38.487 -0.073 0.000 1.115 656 N HN -0.073 nan 8.380 nan 0.000 0.481 657 R N 0.321 120.697 120.500 -0.208 0.000 3.770 657 R HA -0.173 4.168 4.340 0.001 0.000 0.305 657 R C -0.233 175.923 176.300 -0.240 0.000 1.184 657 R CA 0.831 56.775 56.100 -0.261 0.000 0.823 657 R CB -2.802 27.150 30.300 -0.579 0.000 1.285 657 R HN 0.723 nan 8.270 nan 0.000 0.499 658 S N -0.556 115.033 115.700 -0.185 0.000 2.579 658 S HA 0.232 4.703 4.470 0.001 0.000 0.275 658 S C 1.454 175.846 174.600 -0.347 0.000 1.345 658 S CA 0.124 58.197 58.200 -0.213 0.000 1.031 658 S CB 1.628 64.716 63.200 -0.187 0.000 0.892 658 S HN 0.345 nan 8.310 nan 0.000 0.529 659 T N -3.038 111.314 114.554 -0.337 0.000 2.971 659 T HA 0.217 4.568 4.350 0.001 0.000 0.252 659 T C 0.432 175.227 174.700 0.158 0.000 1.022 659 T CA 0.176 61.991 62.100 -0.476 0.000 0.980 659 T CB -0.377 68.166 68.868 -0.542 0.000 1.044 659 T HN 0.961 nan 8.240 nan 0.000 0.501 660 H N -0.975 118.048 119.070 -0.078 0.000 2.966 660 H HA 0.554 5.110 4.556 0.001 0.000 0.330 660 H C -1.884 173.339 175.328 -0.175 0.000 1.292 660 H CA -1.029 54.964 56.048 -0.092 0.000 1.127 660 H CB 0.712 30.467 29.762 -0.012 0.000 1.863 660 H HN -0.020 nan 8.280 nan 0.000 0.543 661 D N 1.172 121.384 120.400 -0.313 0.000 2.336 661 D HA 0.080 4.721 4.640 0.001 0.000 0.249 661 D C 0.646 176.719 176.300 -0.378 0.000 1.213 661 D CA 0.080 53.872 54.000 -0.347 0.000 0.870 661 D CB 0.773 41.392 40.800 -0.302 0.000 1.076 661 D HN 0.643 nan 8.370 nan 0.000 0.483 662 T N 0.431 114.726 114.554 -0.431 0.000 3.134 662 T HA 0.386 4.736 4.350 0.001 0.000 0.260 662 T C 0.947 175.377 174.700 -0.449 0.000 1.027 662 T CA -0.206 61.683 62.100 -0.351 0.000 0.913 662 T CB 0.727 69.425 68.868 -0.283 0.000 1.046 662 T HN 0.256 nan 8.240 nan 0.000 0.553 663 G N 1.227 109.641 108.800 -0.644 0.000 3.392 663 G HA2 0.482 4.442 3.960 0.001 0.000 0.188 663 G HA3 0.482 4.442 3.960 0.001 0.000 0.188 663 G C 0.736 174.690 174.900 -1.577 0.000 1.485 663 G CA -0.659 43.804 45.100 -1.062 0.000 0.943 663 G HN 0.281 nan 8.290 nan 0.000 0.627 664 L N 1.043 121.516 121.223 -1.250 0.000 2.191 664 L HA 0.034 4.374 4.340 0.001 0.000 0.212 664 L C 3.038 179.465 176.870 -0.739 0.000 1.103 664 L CA 1.033 55.119 54.840 -1.257 0.000 0.769 664 L CB -0.420 40.583 42.059 -1.761 0.000 0.908 664 L HN 0.560 nan 8.230 nan 0.000 0.438 665 G N -0.977 107.505 108.800 -0.530 0.000 2.446 665 G HA2 -0.339 3.621 3.960 0.001 0.000 0.217 665 G HA3 -0.339 3.621 3.960 0.001 0.000 0.217 665 G C 1.461 176.260 174.900 -0.168 0.000 1.168 665 G CA 0.725 45.701 45.100 -0.206 0.000 0.771 665 G HN 0.381 nan 8.290 nan 0.000 0.551 666 Q N -0.943 118.683 119.800 -0.291 0.000 2.046 666 Q HA -0.130 4.210 4.340 0.001 0.000 0.200 666 Q C 2.320 178.311 176.000 -0.015 0.000 0.975 666 Q CA 1.199 56.914 55.803 -0.146 0.000 0.836 666 Q CB -0.191 28.440 28.738 -0.178 0.000 0.896 666 Q HN 0.566 nan 8.270 nan 0.000 0.428 667 Y N -0.000 120.210 120.300 -0.150 0.000 2.421 667 Y HA -0.053 4.497 4.550 0.001 0.000 0.292 667 Y C 2.262 178.143 175.900 -0.032 0.000 1.136 667 Y CA 1.093 59.120 58.100 -0.122 0.000 1.255 667 Y CB -0.302 38.018 38.460 -0.234 0.000 0.991 667 Y HN 0.239 nan 8.280 nan 0.000 0.552 668 S N -2.013 113.756 115.700 0.115 0.000 2.578 668 S HA 0.175 4.645 4.470 0.001 0.000 0.231 668 S C 1.522 176.197 174.600 0.124 0.000 0.994 668 S CA -0.398 57.894 58.200 0.154 0.000 0.956 668 S CB 0.224 63.563 63.200 0.232 0.000 0.870 668 S HN 0.064 nan 8.310 nan 0.000 0.494 669 K N 2.238 122.695 120.400 0.095 0.000 2.057 669 K HA 0.005 4.325 4.320 0.001 0.000 0.206 669 K C 0.827 177.476 176.600 0.080 0.000 1.050 669 K CA 1.654 57.989 56.287 0.080 0.000 0.935 669 K CB -0.264 32.275 32.500 0.065 0.000 0.715 669 K HN 0.240 nan 8.250 nan 0.000 0.439 670 D N 0.188 120.640 120.400 0.085 0.000 2.378 670 D HA -0.090 4.551 4.640 0.001 0.000 0.227 670 D C -0.142 176.206 176.300 0.079 0.000 1.012 670 D CA 0.402 54.448 54.000 0.078 0.000 0.905 670 D CB -0.384 40.464 40.800 0.079 0.000 0.895 670 D HN 0.206 nan 8.370 nan 0.000 0.532 671 N N 1.632 120.386 118.700 0.090 0.000 2.714 671 N HA -0.207 4.533 4.740 0.001 0.000 0.253 671 N C -0.622 174.937 175.510 0.083 0.000 1.024 671 N CA 0.409 53.511 53.050 0.087 0.000 0.726 671 N CB -0.750 37.779 38.487 0.070 0.000 0.908 671 N HN 0.349 nan 8.380 nan 0.000 0.542 672 E N -0.554 119.702 120.200 0.093 0.000 2.397 672 E HA 0.175 4.526 4.350 0.001 0.000 0.254 672 E C 0.236 176.889 176.600 0.088 0.000 1.231 672 E CA -0.359 56.093 56.400 0.087 0.000 0.954 672 E CB 0.414 30.172 29.700 0.096 0.000 1.024 672 E HN 0.345 nan 8.360 nan 0.000 0.481 673 S N 0.310 116.058 115.700 0.080 0.000 2.545 673 S HA 0.157 4.628 4.470 0.001 0.000 0.275 673 S C 0.354 175.006 174.600 0.087 0.000 1.299 673 S CA -0.527 57.718 58.200 0.075 0.000 1.048 673 S CB 0.152 63.389 63.200 0.063 0.000 0.938 673 S HN 0.426 nan 8.310 nan 0.000 0.496 674 L N 3.241 124.517 121.223 0.089 0.000 2.818 674 L HA 0.332 4.672 4.340 0.001 0.000 0.243 674 L C 0.046 176.964 176.870 0.080 0.000 1.185 674 L CA -0.173 54.725 54.840 0.097 0.000 0.988 674 L CB 0.114 42.238 42.059 0.109 0.000 1.292 674 L HN 0.592 nan 8.230 nan 0.000 0.519 675 D N 0.924 121.365 120.400 0.068 0.000 2.325 675 D HA 0.036 4.677 4.640 0.001 0.000 0.251 675 D C 0.658 176.989 176.300 0.052 0.000 1.196 675 D CA -0.065 53.969 54.000 0.057 0.000 0.866 675 D CB 0.423 41.253 40.800 0.050 0.000 1.101 675 D HN 0.014 nan 8.370 nan 0.000 0.476 676 N N 2.405 121.134 118.700 0.048 0.000 2.669 676 N HA -0.241 4.499 4.740 0.001 0.000 0.266 676 N C -1.515 174.022 175.510 0.044 0.000 1.024 676 N CA 1.299 54.374 53.050 0.041 0.000 0.766 676 N CB -0.790 37.716 38.487 0.031 0.000 0.898 676 N HN 0.440 nan 8.380 nan 0.000 0.548 677 T N -0.682 113.906 114.554 0.057 0.000 2.762 677 T HA 0.259 4.610 4.350 0.001 0.000 0.301 677 T C -1.663 173.083 174.700 0.077 0.000 1.299 677 T CA -0.700 61.438 62.100 0.063 0.000 1.005 677 T CB 1.135 70.047 68.868 0.073 0.000 1.377 677 T HN 0.162 nan 8.240 nan 0.000 0.504 678 D N 1.398 121.849 120.400 0.084 0.000 2.382 678 D HA 0.500 5.141 4.640 0.001 0.000 0.259 678 D C -0.303 176.095 176.300 0.163 0.000 1.224 678 D CA 0.205 54.262 54.000 0.095 0.000 0.894 678 D CB 0.565 41.402 40.800 0.060 0.000 1.127 678 D HN 0.753 nan 8.370 nan 0.000 0.487 679 A N 3.182 126.093 122.820 0.152 0.000 2.356 679 A HA 0.676 4.997 4.320 0.001 0.000 0.323 679 A C -0.965 176.728 177.584 0.183 0.000 1.119 679 A CA -0.686 51.460 52.037 0.182 0.000 0.790 679 A CB 1.688 20.781 19.000 0.155 0.000 1.273 679 A HN 0.354 nan 8.150 nan 0.000 0.452 680 V N 1.865 121.904 119.914 0.209 0.000 2.487 680 V HA 0.412 4.532 4.120 0.001 0.000 0.298 680 V C -0.395 175.764 176.094 0.108 0.000 1.028 680 V CA -0.533 61.825 62.300 0.096 0.000 0.860 680 V CB 1.501 33.347 31.823 0.038 0.000 0.991 680 V HN 0.671 nan 8.190 nan 0.000 0.427 681 V N 4.086 124.000 119.914 -0.001 0.000 2.481 681 V HA 0.496 4.617 4.120 0.001 0.000 0.286 681 V C -1.016 175.106 176.094 0.048 0.000 1.042 681 V CA -0.452 61.931 62.300 0.138 0.000 0.928 681 V CB 1.666 33.556 31.823 0.112 0.000 0.986 681 V HN 0.910 nan 8.190 nan 0.000 0.462 682 W N 4.699 126.134 121.300 0.226 0.000 2.619 682 W HA 0.703 5.363 4.660 0.001 0.000 0.327 682 W C -0.322 176.374 176.519 0.295 0.000 1.027 682 W CA -0.635 56.846 57.345 0.227 0.000 1.233 682 W CB 1.237 30.795 29.460 0.163 0.000 1.370 682 W HN 0.268 nan 8.180 nan 0.000 0.453 683 M N 3.241 123.109 119.600 0.446 0.000 2.205 683 M HA 0.455 4.936 4.480 0.001 0.000 0.344 683 M C -0.217 176.345 176.300 0.437 0.000 1.085 683 M CA -0.271 55.262 55.300 0.388 0.000 1.001 683 M CB 1.675 34.439 32.600 0.273 0.000 1.626 683 M HN 0.223 nan 8.290 nan 0.000 0.442 684 T N 1.571 116.377 114.554 0.421 0.000 2.797 684 T HA 0.528 4.879 4.350 0.001 0.000 0.279 684 T C -0.426 174.484 174.700 0.349 0.000 0.991 684 T CA -0.407 61.935 62.100 0.404 0.000 0.979 684 T CB 1.565 70.696 68.868 0.438 0.000 0.943 684 T HN 0.698 nan 8.240 nan 0.000 0.444 685 T N 1.718 116.495 114.554 0.372 0.000 2.993 685 T HA 0.725 5.076 4.350 0.001 0.000 0.312 685 T C -0.414 174.516 174.700 0.383 0.000 1.115 685 T CA -0.327 61.994 62.100 0.369 0.000 1.027 685 T CB 1.148 70.260 68.868 0.407 0.000 1.116 685 T HN 0.829 nan 8.240 nan 0.000 0.464 686 G N 1.577 110.551 108.800 0.290 0.000 2.866 686 G HA2 0.771 4.732 3.960 0.001 0.000 0.289 686 G HA3 0.771 4.732 3.960 0.001 0.000 0.289 686 G C -0.619 174.418 174.900 0.229 0.000 1.396 686 G CA -0.299 44.953 45.100 0.254 0.000 0.848 686 G HN 0.996 nan 8.290 nan 0.000 0.515 687 T N -2.996 111.682 114.554 0.206 0.000 2.924 687 T HA 0.686 5.036 4.350 0.001 0.000 0.291 687 T C -0.665 174.065 174.700 0.051 0.000 1.045 687 T CA -0.592 61.608 62.100 0.168 0.000 1.015 687 T CB 1.953 70.977 68.868 0.261 0.000 1.103 687 T HN 0.401 nan 8.240 nan 0.000 0.496 688 T N 1.897 116.443 114.554 -0.014 0.000 2.770 688 T HA 0.306 4.656 4.350 0.001 0.000 0.297 688 T C -0.695 173.897 174.700 -0.181 0.000 0.997 688 T CA -0.404 61.631 62.100 -0.109 0.000 0.949 688 T CB -0.164 68.650 68.868 -0.090 0.000 0.941 688 T HN 0.790 nan 8.240 nan 0.000 0.457 689 H N 3.717 122.500 119.070 -0.479 0.000 2.685 689 H HA 0.527 5.084 4.556 0.001 0.000 0.286 689 H C -0.840 174.190 175.328 -0.496 0.000 1.102 689 H CA -0.734 54.925 56.048 -0.648 0.000 1.254 689 H CB 0.390 29.706 29.762 -0.743 0.000 1.397 689 H HN 0.286 nan 8.280 nan 0.000 0.473 690 V N 5.030 124.878 119.914 -0.109 0.000 2.394 690 V HA 0.382 4.502 4.120 0.001 0.000 0.282 690 V C 0.551 176.654 176.094 0.015 0.000 1.031 690 V CA -0.503 61.737 62.300 -0.100 0.000 0.881 690 V CB 0.844 32.619 31.823 -0.079 0.000 0.982 690 V HN 0.905 nan 8.190 nan 0.000 0.451 691 A N 6.510 129.292 122.820 -0.064 0.000 2.272 691 A HA 0.906 5.227 4.320 0.001 0.000 0.275 691 A C 0.226 177.848 177.584 0.064 0.000 1.096 691 A CA -0.424 51.633 52.037 0.033 0.000 0.822 691 A CB 0.635 19.587 19.000 -0.081 0.000 1.088 691 A HN 0.987 nan 8.150 nan 0.000 0.495 692 R N -1.343 119.224 120.500 0.112 0.000 2.734 692 R HA 0.636 4.976 4.340 0.001 0.000 0.271 692 R C 0.309 176.666 176.300 0.094 0.000 1.021 692 R CA -0.132 56.014 56.100 0.076 0.000 0.893 692 R CB 1.156 31.505 30.300 0.082 0.000 1.244 692 R HN 0.759 nan 8.270 nan 0.000 0.464 693 A N 1.017 123.878 122.820 0.068 0.000 2.024 693 A HA -0.149 4.172 4.320 0.001 0.000 0.220 693 A C 1.388 179.050 177.584 0.131 0.000 1.164 693 A CA 1.735 53.828 52.037 0.094 0.000 0.643 693 A CB -0.575 18.456 19.000 0.053 0.000 0.806 693 A HN 0.832 nan 8.150 nan 0.000 0.451 694 E N 0.236 120.498 120.200 0.103 0.000 2.401 694 E HA -0.127 4.224 4.350 0.001 0.000 0.199 694 E C 1.196 177.860 176.600 0.107 0.000 1.023 694 E CA 1.136 57.590 56.400 0.090 0.000 0.859 694 E CB -0.124 29.617 29.700 0.068 0.000 0.780 694 E HN 0.784 nan 8.360 nan 0.000 0.523 695 E N -0.961 119.336 120.200 0.162 0.000 2.465 695 E HA 0.052 4.402 4.350 0.001 0.000 0.195 695 E C -0.453 176.302 176.600 0.258 0.000 1.028 695 E CA -0.270 56.241 56.400 0.185 0.000 0.899 695 E CB 0.450 30.299 29.700 0.249 0.000 1.032 695 E HN 0.191 nan 8.360 nan 0.000 0.468 696 W N 1.752 123.060 121.300 0.013 0.000 2.839 696 W HA 0.256 4.916 4.660 0.001 0.000 0.334 696 W C -2.457 174.070 176.519 0.013 0.000 1.064 696 W CA -2.087 55.262 57.345 0.007 0.000 1.236 696 W CB 1.799 31.263 29.460 0.007 0.000 1.405 696 W HN -0.117 nan 8.180 nan 0.000 0.478 697 P HA 0.143 nan 4.420 nan 0.000 0.245 697 P C -0.040 176.881 177.300 -0.632 0.000 1.206 697 P CA 0.700 63.050 63.100 -1.251 0.000 0.781 697 P CB 1.460 32.605 31.700 -0.924 0.000 0.994 698 I N -0.376 120.012 120.570 -0.303 0.000 2.647 698 I HA 0.390 4.561 4.170 0.001 0.000 0.295 698 I C -0.873 175.167 176.117 -0.127 0.000 1.078 698 I CA -1.754 59.389 61.300 -0.262 0.000 1.048 698 I CB 2.744 40.584 38.000 -0.267 0.000 1.239 698 I HN -0.280 nan 8.210 nan 0.000 0.421 699 M N 9.223 128.745 119.600 -0.129 0.000 2.157 699 M HA 0.551 5.032 4.480 0.001 0.000 0.354 699 M C -2.531 173.700 176.300 -0.115 0.000 1.170 699 M CA -1.456 53.807 55.300 -0.061 0.000 1.060 699 M CB 1.306 33.900 32.600 -0.010 0.000 1.615 699 M HN 0.235 nan 8.290 nan 0.000 0.460 700 P HA 0.110 nan 4.420 nan 0.000 0.271 700 P C -0.995 176.201 177.300 -0.173 0.000 1.216 700 P CA -0.021 63.017 63.100 -0.104 0.000 0.776 700 P CB 0.551 32.215 31.700 -0.060 0.000 0.881 701 T N 3.749 118.190 114.554 -0.189 0.000 2.867 701 T HA 0.087 4.438 4.350 0.001 0.000 0.297 701 T C 0.224 174.702 174.700 -0.369 0.000 0.989 701 T CA 0.081 61.976 62.100 -0.342 0.000 1.159 701 T CB -0.038 68.636 68.868 -0.324 0.000 0.928 701 T HN 0.304 nan 8.240 nan 0.000 0.538 702 E N 2.166 122.052 120.200 -0.522 0.000 2.191 702 E HA 0.349 4.699 4.350 0.001 0.000 0.274 702 E C -0.941 175.338 176.600 -0.535 0.000 0.948 702 E CA -0.473 55.633 56.400 -0.489 0.000 0.802 702 E CB 1.762 31.026 29.700 -0.727 0.000 1.137 702 E HN 0.617 nan 8.360 nan 0.000 0.397 703 W N 1.342 122.479 121.300 -0.271 0.000 2.819 703 W HA 0.443 5.104 4.660 0.001 0.000 0.337 703 W C -0.377 175.885 176.519 -0.428 0.000 1.077 703 W CA -0.796 56.351 57.345 -0.329 0.000 1.226 703 W CB 1.652 30.944 29.460 -0.280 0.000 1.419 703 W HN 0.213 nan 8.180 nan 0.000 0.502 704 V N -0.265 119.526 119.914 -0.204 0.000 2.864 704 V HA 0.623 4.744 4.120 0.001 0.000 0.314 704 V C -0.781 175.057 176.094 -0.426 0.000 1.073 704 V CA -0.911 61.220 62.300 -0.282 0.000 0.956 704 V CB 1.850 33.688 31.823 0.025 0.000 1.023 704 V HN 0.589 nan 8.190 nan 0.000 0.435 705 H N 2.219 121.295 119.070 0.010 0.000 2.600 705 H HA 0.756 5.312 4.556 0.001 0.000 0.357 705 H C -0.196 175.072 175.328 -0.100 0.000 1.106 705 H CA 0.022 56.022 56.048 -0.080 0.000 1.193 705 H CB 2.200 31.892 29.762 -0.117 0.000 1.594 705 H HN 1.052 nan 8.280 nan 0.000 0.526 706 T N 0.280 114.802 114.554 -0.053 0.000 2.916 706 T HA 0.664 5.014 4.350 0.001 0.000 0.292 706 T C -0.818 173.791 174.700 -0.152 0.000 1.064 706 T CA -0.847 61.192 62.100 -0.102 0.000 1.011 706 T CB 1.957 70.740 68.868 -0.143 0.000 1.152 706 T HN 0.222 nan 8.240 nan 0.000 0.510 707 L N 0.574 121.716 121.223 -0.136 0.000 2.472 707 L HA 0.657 4.997 4.340 0.001 0.000 0.260 707 L C -1.629 175.190 176.870 -0.086 0.000 0.963 707 L CA -0.819 53.944 54.840 -0.129 0.000 0.829 707 L CB 2.252 44.253 42.059 -0.097 0.000 1.348 707 L HN 0.799 nan 8.230 nan 0.000 0.408 708 L N 3.807 124.995 121.223 -0.057 0.000 2.342 708 L HA 0.561 4.902 4.340 0.001 0.000 0.276 708 L C -0.689 176.274 176.870 0.155 0.000 0.997 708 L CA -0.622 54.273 54.840 0.091 0.000 0.838 708 L CB 1.433 43.555 42.059 0.105 0.000 1.224 708 L HN 0.489 nan 8.230 nan 0.000 0.416 709 K N 4.553 124.994 120.400 0.069 0.000 2.292 709 K HA 0.483 4.803 4.320 0.001 0.000 0.257 709 K C -2.593 173.697 176.600 -0.516 0.000 0.940 709 K CA -1.871 54.341 56.287 -0.124 0.000 0.811 709 K CB 2.069 34.547 32.500 -0.038 0.000 1.120 709 K HN 0.223 nan 8.250 nan 0.000 0.428 710 P HA -0.088 nan 4.420 nan 0.000 0.267 710 P C -0.955 176.181 177.300 -0.274 0.000 1.205 710 P CA 0.000 62.473 63.100 -1.045 0.000 0.765 710 P CB 0.537 31.892 31.700 -0.576 0.000 0.828 711 W N 5.749 126.869 121.300 -0.300 0.000 2.453 711 W HA 0.170 4.830 4.660 0.001 0.000 0.310 711 W C -0.369 176.123 176.519 -0.044 0.000 1.000 711 W CA -0.372 56.903 57.345 -0.117 0.000 1.367 711 W CB 0.018 29.428 29.460 -0.083 0.000 1.269 711 W HN 0.524 nan 8.180 nan 0.000 0.418 712 N N 3.507 122.134 118.700 -0.122 0.000 2.714 712 N HA -0.328 4.413 4.740 0.001 0.000 0.250 712 N C 0.373 175.887 175.510 0.008 0.000 1.117 712 N CA 1.548 54.576 53.050 -0.036 0.000 0.719 712 N CB -1.982 36.530 38.487 0.042 0.000 1.081 712 N HN 0.551 nan 8.380 nan 0.000 0.557 713 F N -0.275 119.547 119.950 -0.213 0.000 2.234 713 F HA 0.161 4.688 4.527 0.001 0.000 0.296 713 F C 0.826 176.263 175.800 -0.605 0.000 1.089 713 F CA 0.848 58.598 58.000 -0.417 0.000 1.343 713 F CB 0.204 38.856 39.000 -0.579 0.000 1.040 713 F HN -0.024 nan 8.300 nan 0.000 0.498 714 F N -0.064 119.917 119.950 0.051 0.000 2.525 714 F HA 0.279 4.807 4.527 0.001 0.000 0.346 714 F C 1.166 176.927 175.800 -0.066 0.000 1.072 714 F CA -0.856 57.126 58.000 -0.030 0.000 1.033 714 F CB 0.237 39.216 39.000 -0.036 0.000 1.324 714 F HN -0.320 nan 8.300 nan 0.000 0.491 715 D N -0.810 119.672 120.400 0.136 0.000 2.417 715 D HA 0.091 4.731 4.640 0.001 0.000 0.207 715 D C -0.061 176.247 176.300 0.013 0.000 1.075 715 D CA 0.489 54.510 54.000 0.035 0.000 0.851 715 D CB 0.562 41.372 40.800 0.017 0.000 0.976 715 D HN 0.723 nan 8.370 nan 0.000 0.505 716 E N -1.345 118.874 120.200 0.032 0.000 2.439 716 E HA 0.262 4.613 4.350 0.001 0.000 0.279 716 E C -1.117 175.455 176.600 -0.048 0.000 1.077 716 E CA -0.790 55.595 56.400 -0.026 0.000 0.849 716 E CB 0.460 30.140 29.700 -0.033 0.000 1.408 716 E HN -0.327 nan 8.360 nan 0.000 0.457 717 T N 2.909 117.409 114.554 -0.089 0.000 2.750 717 T HA 0.019 4.370 4.350 0.001 0.000 0.277 717 T C -1.810 172.822 174.700 -0.114 0.000 0.996 717 T CA -0.301 61.736 62.100 -0.107 0.000 1.195 717 T CB 0.146 68.922 68.868 -0.153 0.000 0.963 717 T HN 0.325 nan 8.240 nan 0.000 0.516 718 P HA 0.001 nan 4.420 nan 0.000 0.225 718 P C 1.428 178.634 177.300 -0.157 0.000 1.156 718 P CA 0.632 63.532 63.100 -0.334 0.000 0.787 718 P CB 0.076 31.362 31.700 -0.689 0.000 0.802 719 T N -4.353 110.185 114.554 -0.027 0.000 3.122 719 T HA 0.193 4.543 4.350 0.001 0.000 0.250 719 T C 1.576 176.340 174.700 0.107 0.000 1.067 719 T CA -0.152 61.974 62.100 0.044 0.000 0.966 719 T CB -0.870 68.049 68.868 0.085 0.000 1.002 719 T HN -0.019 nan 8.240 nan 0.000 0.542 720 L N 1.247 122.514 121.223 0.073 0.000 2.081 720 L HA 0.137 4.478 4.340 0.001 0.000 0.212 720 L C 1.588 178.488 176.870 0.050 0.000 1.080 720 L CA 1.550 56.432 54.840 0.070 0.000 0.754 720 L CB -0.884 41.167 42.059 -0.014 0.000 0.893 720 L HN 0.771 nan 8.230 nan 0.000 0.433 721 G N -2.049 106.759 108.800 0.014 0.000 2.497 721 G HA2 0.098 4.059 3.960 0.001 0.000 0.686 721 G HA3 0.098 4.059 3.960 0.001 0.000 0.686 721 G C -0.679 174.216 174.900 -0.007 0.000 1.288 721 G CA -0.622 44.478 45.100 0.001 0.000 0.899 721 G HN 0.364 nan 8.290 nan 0.000 0.608 722 A N -0.166 122.647 122.820 -0.011 0.000 2.450 722 A HA 0.591 4.912 4.320 0.001 0.000 0.255 722 A C 0.546 178.126 177.584 -0.006 0.000 1.096 722 A CA 0.018 52.049 52.037 -0.010 0.000 0.778 722 A CB 0.745 19.737 19.000 -0.013 0.000 1.031 722 A HN 1.916 nan 8.150 nan 0.000 0.494 723 L N 2.553 123.773 121.223 -0.005 0.000 2.477 723 L HA 0.132 4.472 4.340 0.001 0.000 0.272 723 L C 1.398 178.265 176.870 -0.005 0.000 1.157 723 L CA 0.718 55.555 54.840 -0.005 0.000 0.889 723 L CB 0.351 42.407 42.059 -0.005 0.000 1.158 723 L HN 0.834 nan 8.230 nan 0.000 0.473 724 K N 3.195 123.592 120.400 -0.005 0.000 2.418 724 K HA 0.086 4.406 4.320 0.001 0.000 0.195 724 K C -0.151 176.446 176.600 -0.005 0.000 1.035 724 K CA 0.559 56.843 56.287 -0.005 0.000 1.003 724 K CB 0.328 32.826 32.500 -0.004 0.000 0.793 724 K HN 0.504 nan 8.250 nan 0.000 0.494 725 K N 0.800 121.197 120.400 -0.005 0.000 2.502 725 K HA 0.294 4.615 4.320 0.001 0.000 0.254 725 K C -1.100 175.497 176.600 -0.006 0.000 0.947 725 K CA -0.080 56.204 56.287 -0.005 0.000 0.834 725 K CB 1.834 34.331 32.500 -0.006 0.000 1.112 725 K HN 0.159 nan 8.250 nan 0.000 0.427 726 D N 0.000 120.397 120.400 -0.005 0.000 6.856 726 D HA 0.000 4.641 4.640 0.001 0.000 0.175 726 D CA 0.000 nan 54.000 nan 0.000 0.868 726 D CB 0.000 nan 40.800 nan 0.000 0.688 726 D HN 0.000 nan 8.370 nan 0.000 0.683