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 1qaf_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 WYFKAYLESG 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 0.000 175.344 175.328 0.027 0.000 0.993 6 H CA 0.000 56.047 56.048 -0.002 0.000 1.023 6 H CB 0.000 29.762 29.762 0.001 0.000 1.292 7 M N 1.942 121.628 119.600 0.144 0.000 2.716 7 M HA 0.500 4.981 4.480 0.001 0.000 0.307 7 M C -0.856 175.610 176.300 0.277 0.000 1.223 7 M CA -1.148 54.252 55.300 0.166 0.000 0.871 7 M CB 2.964 35.635 32.600 0.118 0.000 1.739 7 M HN 0.305 nan 8.290 nan 0.000 0.475 8 V N 2.068 122.139 119.914 0.260 0.000 2.960 8 V HA 0.676 4.797 4.120 0.001 0.000 0.315 8 V C -2.490 173.609 176.094 0.008 0.000 1.087 8 V CA -2.249 60.168 62.300 0.195 0.000 0.982 8 V CB 2.632 34.495 31.823 0.067 0.000 1.039 8 V HN 0.631 nan 8.190 nan 0.000 0.437 9 P HA 0.125 nan 4.420 nan 0.000 0.276 9 P C 0.686 177.667 177.300 -0.532 0.000 1.264 9 P CA 0.125 62.656 63.100 -0.947 0.000 0.769 9 P CB 0.981 32.148 31.700 -0.888 0.000 0.840 10 M N 3.618 122.892 119.600 -0.544 0.000 2.163 10 M HA -0.299 4.182 4.480 0.001 0.000 0.258 10 M C 1.088 177.190 176.300 -0.329 0.000 1.071 10 M CA 2.404 57.433 55.300 -0.452 0.000 1.093 10 M CB -0.671 31.570 32.600 -0.598 0.000 1.285 10 M HN 0.168 nan 8.290 nan 0.000 0.420 11 D N 0.106 120.319 120.400 -0.312 0.000 2.127 11 D HA -0.223 4.418 4.640 0.001 0.000 0.190 11 D C 1.923 178.141 176.300 -0.135 0.000 1.000 11 D CA 1.872 55.763 54.000 -0.182 0.000 0.839 11 D CB -0.241 40.468 40.800 -0.152 0.000 0.955 11 D HN 0.374 nan 8.370 nan 0.000 0.446 12 K N -0.357 119.945 120.400 -0.164 0.000 2.009 12 K HA -0.154 4.167 4.320 0.001 0.000 0.210 12 K C 2.018 178.573 176.600 -0.076 0.000 1.049 12 K CA 1.783 58.003 56.287 -0.111 0.000 0.929 12 K CB -0.249 32.174 32.500 -0.130 0.000 0.714 12 K HN 0.102 nan 8.250 nan 0.000 0.440 13 T N 2.146 116.642 114.554 -0.096 0.000 2.684 13 T HA -0.152 4.198 4.350 0.001 0.000 0.267 13 T C 1.856 176.565 174.700 0.016 0.000 1.036 13 T CA 1.431 63.504 62.100 -0.044 0.000 1.148 13 T CB -0.185 68.638 68.868 -0.074 0.000 0.863 13 T HN 0.170 nan 8.240 nan 0.000 0.436 14 L N 0.043 121.267 121.223 0.002 0.000 2.046 14 L HA -0.124 4.217 4.340 0.001 0.000 0.208 14 L C 2.669 179.597 176.870 0.096 0.000 1.077 14 L CA 1.280 56.179 54.840 0.099 0.000 0.747 14 L CB -0.356 41.740 42.059 0.061 0.000 0.896 14 L HN 0.146 nan 8.230 nan 0.000 0.432 15 K N -0.046 120.370 120.400 0.027 0.000 2.057 15 K HA -0.147 4.174 4.320 0.001 0.000 0.207 15 K C 2.047 178.651 176.600 0.007 0.000 1.049 15 K CA 1.032 57.323 56.287 0.007 0.000 0.931 15 K CB -0.182 32.312 32.500 -0.010 0.000 0.714 15 K HN 0.248 nan 8.250 nan 0.000 0.440 16 E N -0.081 120.133 120.200 0.024 0.000 2.058 16 E HA -0.221 4.130 4.350 0.001 0.000 0.194 16 E C 1.941 178.574 176.600 0.055 0.000 0.997 16 E CA 1.054 57.472 56.400 0.030 0.000 0.801 16 E CB -0.517 29.203 29.700 0.033 0.000 0.746 16 E HN 0.349 nan 8.360 nan 0.000 0.450 17 F N 1.231 121.134 119.950 -0.078 0.000 2.333 17 F HA 0.017 4.544 4.527 0.001 0.000 0.300 17 F C 1.399 177.121 175.800 -0.131 0.000 1.083 17 F CA 1.640 59.572 58.000 -0.113 0.000 1.395 17 F CB -0.009 38.902 39.000 -0.149 0.000 1.056 17 F HN 0.173 nan 8.300 nan 0.000 0.529 18 G N 0.091 108.758 108.800 -0.223 0.000 2.134 18 G HA2 -0.009 3.951 3.960 0.001 0.000 0.209 18 G HA3 -0.009 3.951 3.960 0.001 0.000 0.209 18 G C 0.176 174.882 174.900 -0.322 0.000 0.993 18 G CA 0.002 44.920 45.100 -0.304 0.000 0.669 18 G HN 0.897 nan 8.290 nan 0.000 0.519 19 A N -0.354 122.329 122.820 -0.228 0.000 2.295 19 A HA 0.704 5.025 4.320 0.001 0.000 0.318 19 A C -0.087 177.496 177.584 -0.001 0.000 1.134 19 A CA 0.195 52.160 52.037 -0.121 0.000 0.827 19 A CB 0.936 19.932 19.000 -0.007 0.000 1.136 19 A HN 0.460 nan 8.150 nan 0.000 0.493 20 D N 0.505 120.926 120.400 0.036 0.000 2.264 20 D HA 0.441 5.082 4.640 0.001 0.000 0.250 20 D C -0.834 175.529 176.300 0.104 0.000 1.113 20 D CA 0.301 54.337 54.000 0.060 0.000 0.871 20 D CB 0.965 41.802 40.800 0.061 0.000 1.167 20 D HN 0.168 nan 8.370 nan 0.000 0.447 21 V N 4.905 124.888 119.914 0.115 0.000 2.407 21 V HA 0.354 4.475 4.120 0.001 0.000 0.291 21 V C -0.457 175.767 176.094 0.216 0.000 1.018 21 V CA -0.797 61.607 62.300 0.173 0.000 0.842 21 V CB 1.431 33.338 31.823 0.139 0.000 0.996 21 V HN 0.524 nan 8.190 nan 0.000 0.426 22 Q N 4.151 124.112 119.800 0.268 0.000 2.330 22 Q HA 0.329 4.669 4.340 0.001 0.000 0.269 22 Q C -1.143 175.043 176.000 0.310 0.000 1.022 22 Q CA -0.269 55.674 55.803 0.234 0.000 0.796 22 Q CB 3.186 32.002 28.738 0.130 0.000 1.271 22 Q HN 0.909 nan 8.270 nan 0.000 0.450 23 W N 4.260 125.556 121.300 -0.008 0.000 2.478 23 W HA 0.329 4.990 4.660 0.001 0.000 0.318 23 W C -1.244 175.166 176.519 -0.182 0.000 1.062 23 W CA -0.484 56.696 57.345 -0.274 0.000 1.210 23 W CB 1.450 30.713 29.460 -0.328 0.000 1.325 23 W HN 0.521 nan 8.180 nan 0.000 0.496 24 D N 4.507 124.281 120.400 -1.044 0.000 2.453 24 D HA 0.049 4.690 4.640 0.001 0.000 0.238 24 D C 0.425 175.949 176.300 -1.293 0.000 1.088 24 D CA -0.120 53.404 54.000 -0.793 0.000 0.854 24 D CB 1.377 41.909 40.800 -0.446 0.000 1.076 24 D HN 0.467 nan 8.370 nan 0.000 0.533 25 D N 2.304 122.140 120.400 -0.939 0.000 2.178 25 D HA -0.224 4.416 4.640 0.001 0.000 0.201 25 D C 1.454 177.583 176.300 -0.285 0.000 0.980 25 D CA 1.036 54.702 54.000 -0.557 0.000 0.842 25 D CB 0.022 40.763 40.800 -0.099 0.000 0.948 25 D HN 0.529 nan 8.370 nan 0.000 0.472 26 Y N 0.418 120.532 120.300 -0.310 0.000 2.220 26 Y HA 0.067 4.618 4.550 0.001 0.000 0.291 26 Y C 1.968 177.746 175.900 -0.204 0.000 1.129 26 Y CA 1.730 59.714 58.100 -0.193 0.000 1.161 26 Y CB -0.382 37.991 38.460 -0.145 0.000 0.997 26 Y HN -0.012 nan 8.280 nan 0.000 0.522 27 A N -0.684 121.956 122.820 -0.300 0.000 2.178 27 A HA 0.048 4.369 4.320 0.001 0.000 0.211 27 A C 0.710 178.078 177.584 -0.360 0.000 1.157 27 A CA 0.630 52.470 52.037 -0.329 0.000 0.780 27 A CB -0.168 18.725 19.000 -0.177 0.000 0.828 27 A HN 0.528 nan 8.150 nan 0.000 0.476 28 Q N -2.080 117.394 119.800 -0.543 0.000 2.463 28 Q HA -0.203 4.137 4.340 0.001 0.000 0.299 28 Q C -0.736 175.021 176.000 -0.405 0.000 1.353 28 Q CA 0.952 56.447 55.803 -0.514 0.000 0.828 28 Q CB -2.167 26.512 28.738 -0.100 0.000 1.157 28 Q HN 0.568 nan 8.270 nan 0.000 0.436 29 L N -0.380 120.436 121.223 -0.678 0.000 2.401 29 L HA 0.717 5.057 4.340 0.001 0.000 0.266 29 L C -1.088 175.640 176.870 -0.236 0.000 0.991 29 L CA -0.578 54.101 54.840 -0.267 0.000 0.818 29 L CB 1.420 43.389 42.059 -0.149 0.000 1.321 29 L HN 0.014 nan 8.230 nan 0.000 0.413 30 F N 1.854 121.916 119.950 0.186 0.000 2.443 30 F HA 0.632 5.160 4.527 0.001 0.000 0.335 30 F C 0.274 176.130 175.800 0.093 0.000 1.104 30 F CA -0.293 57.849 58.000 0.238 0.000 1.013 30 F CB 2.234 41.391 39.000 0.261 0.000 1.136 30 F HN 0.353 nan 8.300 nan 0.000 0.470 31 T N 5.282 119.991 114.554 0.260 0.000 2.786 31 T HA 0.635 4.985 4.350 0.001 0.000 0.283 31 T C -0.573 174.174 174.700 0.080 0.000 0.992 31 T CA -0.574 61.553 62.100 0.044 0.000 0.954 31 T CB 0.586 69.417 68.868 -0.061 0.000 0.934 31 T HN 0.287 nan 8.240 nan 0.000 0.440 32 L N 4.279 125.522 121.223 0.033 0.000 2.341 32 L HA 0.686 5.026 4.340 0.001 0.000 0.278 32 L C -0.605 176.331 176.870 0.111 0.000 1.005 32 L CA -0.961 53.975 54.840 0.161 0.000 0.818 32 L CB 1.628 43.888 42.059 0.335 0.000 1.259 32 L HN 0.494 nan 8.230 nan 0.000 0.418 33 I N 3.153 123.814 120.570 0.153 0.000 2.545 33 I HA 0.468 4.639 4.170 0.001 0.000 0.292 33 I C -0.585 175.645 176.117 0.189 0.000 1.040 33 I CA -0.601 60.797 61.300 0.163 0.000 1.068 33 I CB 2.337 40.411 38.000 0.124 0.000 1.251 33 I HN 0.519 nan 8.210 nan 0.000 0.424 34 K N 5.913 126.459 120.400 0.244 0.000 2.690 34 K HA 0.295 4.615 4.320 0.001 0.000 0.264 34 K C -0.715 175.977 176.600 0.154 0.000 1.040 34 K CA -0.281 56.058 56.287 0.087 0.000 0.946 34 K CB 0.753 33.148 32.500 -0.175 0.000 1.268 34 K HN 0.673 nan 8.250 nan 0.000 0.473 35 D N 2.168 122.643 120.400 0.125 0.000 3.685 35 D HA -0.252 4.388 4.640 0.001 0.000 0.152 35 D C 0.916 177.352 176.300 0.227 0.000 0.966 35 D CA 2.127 56.240 54.000 0.188 0.000 1.085 35 D CB -0.974 39.955 40.800 0.215 0.000 0.521 35 D HN 0.699 nan 8.370 nan 0.000 0.543 36 G N 0.428 109.383 108.800 0.258 0.000 2.848 36 G HA2 0.333 4.293 3.960 0.001 0.000 0.208 36 G HA3 0.333 4.293 3.960 0.001 0.000 0.208 36 G C 0.346 175.375 174.900 0.215 0.000 1.152 36 G CA 1.064 46.282 45.100 0.197 0.000 0.789 36 G HN 0.625 nan 8.290 nan 0.000 0.531 37 A N 0.069 123.058 122.820 0.282 0.000 2.260 37 A HA 0.621 4.941 4.320 0.001 0.000 0.314 37 A C -1.527 176.241 177.584 0.308 0.000 1.257 37 A CA -0.690 51.519 52.037 0.286 0.000 0.871 37 A CB 0.614 19.862 19.000 0.413 0.000 1.166 37 A HN 0.283 nan 8.150 nan 0.000 0.522 38 Y N 3.442 123.808 120.300 0.110 0.000 2.447 38 Y HA 0.525 5.075 4.550 0.001 0.000 0.325 38 Y C -0.924 175.014 175.900 0.063 0.000 0.976 38 Y CA -0.543 57.619 58.100 0.103 0.000 1.280 38 Y CB 1.254 39.761 38.460 0.080 0.000 1.104 38 Y HN 0.457 nan 8.280 nan 0.000 0.486 39 V N 6.069 125.895 119.914 -0.146 0.000 2.581 39 V HA 0.525 4.645 4.120 0.001 0.000 0.303 39 V C -0.770 175.271 176.094 -0.088 0.000 1.041 39 V CA -1.175 61.064 62.300 -0.102 0.000 0.907 39 V CB 1.891 33.626 31.823 -0.147 0.000 0.994 39 V HN 0.565 nan 8.190 nan 0.000 0.442 40 K N 2.808 123.216 120.400 0.013 0.000 2.345 40 K HA 0.805 5.126 4.320 0.001 0.000 0.255 40 K C -1.588 175.084 176.600 0.120 0.000 0.934 40 K CA -0.728 55.602 56.287 0.072 0.000 0.801 40 K CB 2.744 35.296 32.500 0.087 0.000 1.137 40 K HN 0.415 nan 8.250 nan 0.000 0.424 41 V N 3.075 123.109 119.914 0.200 0.000 2.711 41 V HA 0.293 4.414 4.120 0.001 0.000 0.304 41 V C -1.583 174.697 176.094 0.311 0.000 1.097 41 V CA -0.777 61.665 62.300 0.237 0.000 0.906 41 V CB 1.906 33.890 31.823 0.268 0.000 1.015 41 V HN 0.674 nan 8.190 nan 0.000 0.427 42 K N 7.106 127.646 120.400 0.233 0.000 2.159 42 K HA 0.567 4.887 4.320 0.001 0.000 0.266 42 K C -2.660 174.093 176.600 0.256 0.000 0.975 42 K CA -1.782 54.648 56.287 0.237 0.000 0.865 42 K CB 1.689 34.268 32.500 0.131 0.000 1.087 42 K HN 0.433 nan 8.250 nan 0.000 0.446 43 P HA -0.076 nan 4.420 nan 0.000 0.265 43 P C 0.672 178.063 177.300 0.151 0.000 1.187 43 P CA 0.784 64.027 63.100 0.238 0.000 0.766 43 P CB 0.546 32.395 31.700 0.248 0.000 0.820 44 G N 1.356 110.225 108.800 0.115 0.000 2.245 44 G HA2 -0.260 3.701 3.960 0.001 0.000 0.264 44 G HA3 -0.260 3.701 3.960 0.001 0.000 0.264 44 G C 0.506 175.454 174.900 0.079 0.000 0.985 44 G CA 0.164 45.314 45.100 0.083 0.000 0.625 44 G HN 0.882 nan 8.290 nan 0.000 0.536 45 A N -0.129 122.749 122.820 0.096 0.000 2.407 45 A HA 0.626 4.947 4.320 0.001 0.000 0.248 45 A C 1.181 178.810 177.584 0.075 0.000 1.082 45 A CA 0.606 52.692 52.037 0.081 0.000 0.785 45 A CB 0.360 19.414 19.000 0.091 0.000 1.020 45 A HN 0.275 nan 8.150 nan 0.000 0.489 46 Q N -0.040 119.794 119.800 0.057 0.000 2.360 46 Q HA 0.065 4.406 4.340 0.001 0.000 0.202 46 Q C 0.443 176.470 176.000 0.044 0.000 0.915 46 Q CA 0.900 56.732 55.803 0.048 0.000 0.943 46 Q CB 0.334 29.093 28.738 0.035 0.000 1.064 46 Q HN 0.897 nan 8.270 nan 0.000 0.511 47 T N -2.202 112.382 114.554 0.050 0.000 2.883 47 T HA 0.771 5.121 4.350 0.001 0.000 0.301 47 T C -1.564 173.166 174.700 0.050 0.000 1.158 47 T CA -0.366 61.757 62.100 0.038 0.000 1.007 47 T CB 2.216 71.099 68.868 0.024 0.000 1.186 47 T HN 0.021 nan 8.240 nan 0.000 0.499 48 A N 2.250 125.087 122.820 0.029 0.000 2.485 48 A HA 0.854 5.174 4.320 0.001 0.000 0.292 48 A C -1.278 176.311 177.584 0.008 0.000 1.147 48 A CA -0.905 51.152 52.037 0.033 0.000 0.750 48 A CB 1.374 20.387 19.000 0.022 0.000 1.331 48 A HN 0.780 nan 8.150 nan 0.000 0.419 49 I N 1.042 121.622 120.570 0.017 0.000 2.433 49 I HA 0.485 4.656 4.170 0.001 0.000 0.292 49 I C -0.855 175.265 176.117 0.004 0.000 1.001 49 I CA -0.644 60.669 61.300 0.021 0.000 1.119 49 I CB 1.176 39.209 38.000 0.056 0.000 1.289 49 I HN 0.242 nan 8.210 nan 0.000 0.438 50 V N 5.864 125.774 119.914 -0.006 0.000 2.409 50 V HA 0.352 4.472 4.120 0.001 0.000 0.290 50 V C 0.374 176.491 176.094 0.039 0.000 1.017 50 V CA -0.823 61.467 62.300 -0.017 0.000 0.841 50 V CB 0.957 32.728 31.823 -0.086 0.000 1.003 50 V HN 0.901 nan 8.190 nan 0.000 0.426 51 N N 4.151 122.913 118.700 0.103 0.000 2.725 51 N HA -0.250 4.491 4.740 0.001 0.000 0.251 51 N C 1.166 176.709 175.510 0.056 0.000 1.031 51 N CA 0.467 53.573 53.050 0.093 0.000 0.720 51 N CB -0.642 37.883 38.487 0.064 0.000 0.930 51 N HN 1.364 nan 8.380 nan 0.000 0.543 52 G N -1.228 107.612 108.800 0.067 0.000 2.205 52 G HA2 -0.332 3.628 3.960 0.001 0.000 0.261 52 G HA3 -0.332 3.628 3.960 0.001 0.000 0.261 52 G C -0.137 174.780 174.900 0.029 0.000 0.980 52 G CA 0.487 45.612 45.100 0.042 0.000 0.632 52 G HN 0.430 nan 8.290 nan 0.000 0.533 53 Q N 0.745 120.559 119.800 0.023 0.000 2.309 53 Q HA 0.493 4.833 4.340 0.001 0.000 0.264 53 Q C -2.589 173.413 176.000 0.005 0.000 1.008 53 Q CA -2.028 53.782 55.803 0.011 0.000 0.853 53 Q CB 2.534 31.275 28.738 0.005 0.000 1.314 53 Q HN 0.300 nan 8.270 nan 0.000 0.448 54 P HA 0.235 nan 4.420 nan 0.000 0.275 54 P C -0.857 176.435 177.300 -0.013 0.000 1.227 54 P CA -0.484 62.616 63.100 0.001 0.000 0.781 54 P CB 0.780 32.483 31.700 0.005 0.000 0.906 55 L N 2.704 123.914 121.223 -0.021 0.000 2.438 55 L HA 0.679 5.020 4.340 0.001 0.000 0.270 55 L C -0.683 176.171 176.870 -0.027 0.000 0.972 55 L CA -0.887 53.930 54.840 -0.039 0.000 0.831 55 L CB 1.709 43.720 42.059 -0.080 0.000 1.273 55 L HN 0.448 nan 8.230 nan 0.000 0.405 56 A N 5.669 128.477 122.820 -0.021 0.000 2.388 56 A HA 0.700 5.021 4.320 0.001 0.000 0.257 56 A C -0.895 176.683 177.584 -0.009 0.000 1.095 56 A CA -0.215 51.818 52.037 -0.007 0.000 0.791 56 A CB 0.134 19.131 19.000 -0.005 0.000 1.029 56 A HN 0.728 nan 8.150 nan 0.000 0.489 57 L N 1.903 123.134 121.223 0.013 0.000 2.385 57 L HA 0.314 4.655 4.340 0.001 0.000 0.273 57 L C 0.944 177.835 176.870 0.035 0.000 0.990 57 L CA -0.522 54.334 54.840 0.027 0.000 0.821 57 L CB 1.929 44.028 42.059 0.066 0.000 1.279 57 L HN 0.977 nan 8.230 nan 0.000 0.412 58 Q N 1.437 121.257 119.800 0.032 0.000 2.137 58 Q HA 0.050 4.391 4.340 0.001 0.000 0.198 58 Q C 0.071 176.097 176.000 0.043 0.000 0.960 58 Q CA 0.858 56.680 55.803 0.031 0.000 0.847 58 Q CB 0.213 28.965 28.738 0.024 0.000 0.915 58 Q HN 0.431 nan 8.270 nan 0.000 0.448 59 V N 3.831 123.782 119.914 0.062 0.000 2.294 59 V HA 0.250 4.371 4.120 0.001 0.000 0.272 59 V C -2.235 173.919 176.094 0.100 0.000 1.027 59 V CA -1.762 60.582 62.300 0.073 0.000 0.823 59 V CB 0.726 32.596 31.823 0.079 0.000 1.030 59 V HN 0.084 nan 8.190 nan 0.000 0.457 60 P HA 0.126 nan 4.420 nan 0.000 0.269 60 P C -0.089 177.256 177.300 0.075 0.000 1.215 60 P CA -0.113 63.042 63.100 0.092 0.000 0.780 60 P CB 0.557 32.302 31.700 0.075 0.000 0.898 61 V N 2.661 122.614 119.914 0.066 0.000 2.655 61 V HA 0.041 4.162 4.120 0.001 0.000 0.300 61 V C 0.416 176.537 176.094 0.044 0.000 1.044 61 V CA 0.236 62.522 62.300 -0.023 0.000 1.095 61 V CB 0.880 32.656 31.823 -0.078 0.000 0.952 61 V HN 0.213 nan 8.190 nan 0.000 0.485 62 V N 6.405 126.352 119.914 0.054 0.000 2.448 62 V HA 0.435 4.555 4.120 0.001 0.000 0.295 62 V C -0.066 176.118 176.094 0.150 0.000 1.025 62 V CA -0.624 61.730 62.300 0.089 0.000 0.859 62 V CB 1.607 33.466 31.823 0.061 0.000 0.988 62 V HN 0.849 nan 8.190 nan 0.000 0.431 63 M N 6.198 125.863 119.600 0.108 0.000 2.088 63 M HA 0.448 4.929 4.480 0.001 0.000 0.346 63 M C 0.095 176.448 176.300 0.087 0.000 1.111 63 M CA 0.307 55.660 55.300 0.087 0.000 1.017 63 M CB 0.632 33.250 32.600 0.030 0.000 1.568 63 M HN 0.536 nan 8.290 nan 0.000 0.445 64 K N 1.946 122.430 120.400 0.140 0.000 4.310 64 K HA 0.286 4.607 4.320 0.001 0.000 0.185 64 K C -0.473 176.162 176.600 0.058 0.000 1.134 64 K CA -0.158 56.176 56.287 0.078 0.000 1.860 64 K CB 0.275 32.820 32.500 0.075 0.000 2.614 64 K HN 0.551 nan 8.250 nan 0.000 0.570 65 D N 2.672 123.116 120.400 0.073 0.000 2.845 65 D HA 0.102 4.743 4.640 0.001 0.000 0.235 65 D C -0.442 175.880 176.300 0.036 0.000 1.158 65 D CA 0.167 54.193 54.000 0.043 0.000 0.990 65 D CB -0.361 40.462 40.800 0.038 0.000 1.094 65 D HN 0.337 nan 8.370 nan 0.000 0.486 66 N N 0.191 118.897 118.700 0.011 0.000 2.948 66 N HA -0.181 4.560 4.740 0.001 0.000 0.239 66 N C 0.026 175.490 175.510 -0.076 0.000 0.954 66 N CA 0.840 53.861 53.050 -0.049 0.000 0.941 66 N CB -0.682 37.780 38.487 -0.042 0.000 1.101 66 N HN 0.251 nan 8.380 nan 0.000 0.579 67 K N 1.125 121.535 120.400 0.017 0.000 2.159 67 K HA 0.737 5.058 4.320 0.001 0.000 0.266 67 K C -0.289 176.279 176.600 -0.054 0.000 0.975 67 K CA -0.225 56.033 56.287 -0.048 0.000 0.865 67 K CB 1.619 34.141 32.500 0.036 0.000 1.087 67 K HN 0.266 nan 8.250 nan 0.000 0.446 68 A N 2.692 125.356 122.820 -0.260 0.000 2.312 68 A HA 0.738 5.058 4.320 0.001 0.000 0.328 68 A C -1.464 175.840 177.584 -0.468 0.000 1.158 68 A CA -0.543 51.386 52.037 -0.180 0.000 0.821 68 A CB 0.350 19.215 19.000 -0.224 0.000 1.170 68 A HN 0.651 nan 8.150 nan 0.000 0.490 69 W N 0.761 121.945 121.300 -0.192 0.000 2.819 69 W HA 0.556 5.216 4.660 0.001 0.000 0.337 69 W C -0.252 176.124 176.519 -0.240 0.000 1.077 69 W CA -0.513 56.718 57.345 -0.190 0.000 1.226 69 W CB 1.944 31.328 29.460 -0.128 0.000 1.419 69 W HN 0.711 nan 8.180 nan 0.000 0.502 70 V N -0.319 119.552 119.914 -0.071 0.000 3.126 70 V HA 0.805 4.926 4.120 0.001 0.000 0.314 70 V C 0.149 176.251 176.094 0.013 0.000 1.138 70 V CA -1.261 60.933 62.300 -0.178 0.000 1.034 70 V CB 1.043 32.504 31.823 -0.603 0.000 1.075 70 V HN 0.561 nan 8.190 nan 0.000 0.442 71 S N 0.541 116.287 115.700 0.077 0.000 2.592 71 S HA 0.136 4.606 4.470 0.001 0.000 0.271 71 S C 0.872 175.543 174.600 0.117 0.000 1.326 71 S CA 0.320 58.587 58.200 0.112 0.000 1.024 71 S CB 0.863 64.132 63.200 0.114 0.000 0.921 71 S HN 1.057 nan 8.310 nan 0.000 0.527 72 D N 1.169 121.625 120.400 0.093 0.000 2.351 72 D HA -0.135 4.506 4.640 0.001 0.000 0.216 72 D C 1.308 177.645 176.300 0.062 0.000 0.968 72 D CA 1.479 55.522 54.000 0.072 0.000 0.899 72 D CB -0.801 40.036 40.800 0.061 0.000 0.907 72 D HN 0.701 nan 8.370 nan 0.000 0.514 73 T N -3.920 110.680 114.554 0.076 0.000 3.044 73 T HA 0.113 4.464 4.350 0.001 0.000 0.260 73 T C 1.388 176.124 174.700 0.061 0.000 1.019 73 T CA -0.646 61.481 62.100 0.045 0.000 0.921 73 T CB -0.710 68.174 68.868 0.027 0.000 1.053 73 T HN 0.034 nan 8.240 nan 0.000 0.533 74 F N 2.570 122.499 119.950 -0.035 0.000 2.065 74 F HA -0.025 4.502 4.527 0.001 0.000 0.298 74 F C 1.804 177.577 175.800 -0.044 0.000 1.112 74 F CA 1.300 59.276 58.000 -0.040 0.000 1.212 74 F CB -0.419 38.559 39.000 -0.037 0.000 0.975 74 F HN 0.102 nan 8.300 nan 0.000 0.476 75 I N 0.697 121.347 120.570 0.133 0.000 2.151 75 I HA -0.423 3.748 4.170 0.001 0.000 0.243 75 I C 2.025 178.072 176.117 -0.117 0.000 1.080 75 I CA 1.942 63.210 61.300 -0.053 0.000 1.339 75 I CB -0.645 37.154 38.000 -0.334 0.000 1.039 75 I HN 0.334 nan 8.210 nan 0.000 0.409 76 N N 0.338 118.971 118.700 -0.112 0.000 2.300 76 N HA -0.132 4.609 4.740 0.001 0.000 0.179 76 N C 1.296 176.751 175.510 -0.092 0.000 1.016 76 N CA 1.075 54.080 53.050 -0.075 0.000 0.876 76 N CB -0.273 38.184 38.487 -0.051 0.000 0.979 76 N HN 0.364 nan 8.380 nan 0.000 0.432 77 D N 0.930 121.245 120.400 -0.141 0.000 2.144 77 D HA -0.055 4.586 4.640 0.001 0.000 0.200 77 D C 2.096 178.242 176.300 -0.256 0.000 0.978 77 D CA 0.534 54.434 54.000 -0.166 0.000 0.833 77 D CB 0.049 40.744 40.800 -0.175 0.000 0.961 77 D HN 0.024 nan 8.370 nan 0.000 0.470 78 V N 0.177 119.832 119.914 -0.431 0.000 2.278 78 V HA -0.134 3.986 4.120 0.001 0.000 0.238 78 V C 2.079 177.905 176.094 -0.447 0.000 1.039 78 V CA 1.031 62.979 62.300 -0.587 0.000 1.017 78 V CB -0.656 30.522 31.823 -1.076 0.000 0.657 78 V HN 0.017 nan 8.190 nan 0.000 0.462 79 F N 0.064 119.913 119.950 -0.168 0.000 2.216 79 F HA -0.159 4.368 4.527 0.001 0.000 0.300 79 F C 2.250 178.048 175.800 -0.004 0.000 1.085 79 F CA 1.321 59.309 58.000 -0.020 0.000 1.326 79 F CB -0.313 38.736 39.000 0.082 0.000 1.027 79 F HN 0.186 nan 8.300 nan 0.000 0.497 80 Q N -0.559 119.292 119.800 0.086 0.000 2.204 80 Q HA 0.062 4.403 4.340 0.001 0.000 0.209 80 Q C 2.064 178.069 176.000 0.010 0.000 0.861 80 Q CA 0.342 56.180 55.803 0.059 0.000 0.971 80 Q CB 0.052 28.812 28.738 0.037 0.000 1.095 80 Q HN 0.314 nan 8.270 nan 0.000 0.486 81 S N -1.206 114.474 115.700 -0.033 0.000 2.387 81 S HA -0.125 4.346 4.470 0.001 0.000 0.230 81 S C 1.694 176.286 174.600 -0.013 0.000 1.035 81 S CA 1.430 59.603 58.200 -0.045 0.000 1.014 81 S CB -0.199 62.947 63.200 -0.089 0.000 0.836 81 S HN 0.531 nan 8.310 nan 0.000 0.466 82 G N 0.502 109.308 108.800 0.011 0.000 2.284 82 G HA2 -0.185 3.775 3.960 0.001 0.000 0.201 82 G HA3 -0.185 3.775 3.960 0.001 0.000 0.201 82 G C 0.701 175.614 174.900 0.022 0.000 0.998 82 G CA 0.157 45.272 45.100 0.024 0.000 0.651 82 G HN 0.490 nan 8.290 nan 0.000 0.489 83 L N 1.083 122.309 121.223 0.005 0.000 2.376 83 L HA 0.189 4.530 4.340 0.001 0.000 0.219 83 L C 1.011 177.897 176.870 0.027 0.000 1.133 83 L CA 0.949 55.793 54.840 0.006 0.000 0.816 83 L CB -0.003 42.046 42.059 -0.016 0.000 0.933 83 L HN 0.267 nan 8.230 nan 0.000 0.449 84 D N 0.432 120.862 120.400 0.050 0.000 2.411 84 D HA 0.048 4.688 4.640 0.001 0.000 0.225 84 D C 0.512 176.870 176.300 0.097 0.000 1.156 84 D CA -0.066 53.987 54.000 0.089 0.000 0.874 84 D CB 0.891 41.777 40.800 0.143 0.000 1.034 84 D HN 0.154 nan 8.370 nan 0.000 0.502 85 Q N 2.223 122.063 119.800 0.066 0.000 2.247 85 Q HA 0.043 4.383 4.340 0.001 0.000 0.205 85 Q C 1.204 177.235 176.000 0.052 0.000 0.896 85 Q CA -0.004 55.836 55.803 0.062 0.000 0.950 85 Q CB 0.384 29.141 28.738 0.031 0.000 1.054 85 Q HN 0.475 nan 8.270 nan 0.000 0.482 86 T N 0.736 115.325 114.554 0.059 0.000 2.665 86 T HA -0.133 4.218 4.350 0.001 0.000 0.268 86 T C 0.234 174.851 174.700 -0.139 0.000 1.035 86 T CA 1.317 63.382 62.100 -0.058 0.000 1.151 86 T CB -0.069 68.787 68.868 -0.021 0.000 0.862 86 T HN 0.143 nan 8.240 nan 0.000 0.438 87 F N 1.554 121.540 119.950 0.060 0.000 2.427 87 F HA 0.464 4.992 4.527 0.001 0.000 0.346 87 F C 0.414 176.239 175.800 0.042 0.000 1.120 87 F CA -1.028 57.004 58.000 0.054 0.000 1.033 87 F CB 1.182 40.215 39.000 0.055 0.000 1.126 87 F HN -0.136 nan 8.300 nan 0.000 0.462 88 Q N 2.223 122.132 119.800 0.181 0.000 2.387 88 Q HA 0.469 4.810 4.340 0.001 0.000 0.273 88 Q C -0.723 175.345 176.000 0.113 0.000 1.089 88 Q CA -1.085 54.790 55.803 0.119 0.000 0.824 88 Q CB 2.810 31.590 28.738 0.069 0.000 1.367 88 Q HN 0.574 nan 8.270 nan 0.000 0.443 89 V N -1.003 118.963 119.914 0.086 0.000 2.555 89 V HA 0.256 4.376 4.120 0.001 0.000 0.286 89 V C 0.128 176.263 176.094 0.069 0.000 1.044 89 V CA -0.362 61.982 62.300 0.074 0.000 1.026 89 V CB 0.910 32.768 31.823 0.057 0.000 0.981 89 V HN 0.815 nan 8.190 nan 0.000 0.480 90 E N 4.179 124.424 120.200 0.075 0.000 2.316 90 E HA 0.207 4.557 4.350 0.001 0.000 0.275 90 E C 0.601 177.248 176.600 0.079 0.000 1.029 90 E CA -0.323 56.129 56.400 0.086 0.000 0.871 90 E CB 1.324 31.085 29.700 0.102 0.000 1.022 90 E HN 0.887 nan 8.360 nan 0.000 0.418 91 K N 3.611 124.058 120.400 0.080 0.000 2.017 91 K HA 0.042 4.362 4.320 0.001 0.000 0.207 91 K C 0.454 177.107 176.600 0.088 0.000 1.035 91 K CA 0.536 56.864 56.287 0.068 0.000 0.947 91 K CB 0.263 32.792 32.500 0.049 0.000 0.749 91 K HN 0.347 nan 8.250 nan 0.000 0.443 92 R N 2.075 122.649 120.500 0.123 0.000 2.207 92 R HA 0.223 4.564 4.340 0.001 0.000 0.334 92 R C -2.490 173.958 176.300 0.247 0.000 1.013 92 R CA -2.229 53.979 56.100 0.180 0.000 0.858 92 R CB 1.253 31.677 30.300 0.208 0.000 1.094 92 R HN 0.199 nan 8.270 nan 0.000 0.457 93 P HA -0.106 nan 4.420 nan 0.000 0.262 93 P C -0.818 176.485 177.300 0.005 0.000 1.199 93 P CA 0.317 63.478 63.100 0.100 0.000 0.763 93 P CB 0.400 32.126 31.700 0.043 0.000 0.790 94 H N 6.632 125.652 119.070 -0.083 0.000 2.886 94 H HA 0.052 4.608 4.556 0.001 0.000 0.329 94 H C -0.855 174.185 175.328 -0.480 0.000 1.044 94 H CA -1.184 54.643 56.048 -0.369 0.000 1.456 94 H CB 0.800 30.543 29.762 -0.031 0.000 1.464 94 H HN 0.304 nan 8.280 nan 0.000 0.573 95 P HA -0.180 nan 4.420 nan 0.000 0.219 95 P C 0.762 177.946 177.300 -0.193 0.000 1.146 95 P CA 1.205 64.057 63.100 -0.413 0.000 0.808 95 P CB 0.298 31.685 31.700 -0.521 0.000 0.779 96 L N -1.166 119.995 121.223 -0.104 0.000 2.611 96 L HA 0.145 4.486 4.340 0.001 0.000 0.229 96 L C 0.750 177.501 176.870 -0.199 0.000 1.137 96 L CA -0.277 54.390 54.840 -0.288 0.000 0.901 96 L CB -1.064 40.660 42.059 -0.559 0.000 1.098 96 L HN -0.087 nan 8.230 nan 0.000 0.456 97 N N 1.423 120.108 118.700 -0.025 0.000 2.454 97 N HA 0.211 4.951 4.740 0.001 0.000 0.260 97 N C 0.544 176.069 175.510 0.026 0.000 1.218 97 N CA -0.304 52.809 53.050 0.106 0.000 0.904 97 N CB 0.854 39.394 38.487 0.088 0.000 1.065 97 N HN 0.209 nan 8.380 nan 0.000 0.462 98 A N 2.962 125.796 122.820 0.023 0.000 2.475 98 A HA 0.070 4.391 4.320 0.001 0.000 0.239 98 A C 0.485 178.059 177.584 -0.017 0.000 1.087 98 A CA -0.208 51.821 52.037 -0.013 0.000 0.779 98 A CB 0.119 19.102 19.000 -0.028 0.000 1.036 98 A HN 0.642 nan 8.150 nan 0.000 0.506 99 L N 1.328 122.537 121.223 -0.023 0.000 2.490 99 L HA 0.147 4.488 4.340 0.001 0.000 0.274 99 L C 1.451 178.307 176.870 -0.024 0.000 1.201 99 L CA -0.015 54.810 54.840 -0.025 0.000 0.869 99 L CB 0.085 42.126 42.059 -0.030 0.000 1.123 99 L HN 0.985 nan 8.230 nan 0.000 0.484 100 T N -0.313 114.228 114.554 -0.022 0.000 2.770 100 T HA 0.336 4.687 4.350 0.001 0.000 0.281 100 T C 1.216 175.898 174.700 -0.029 0.000 0.981 100 T CA -0.208 61.879 62.100 -0.021 0.000 0.955 100 T CB 1.271 70.130 68.868 -0.016 0.000 1.060 100 T HN 0.621 nan 8.240 nan 0.000 0.531 101 A N 0.391 123.195 122.820 -0.028 0.000 1.933 101 A HA -0.084 4.236 4.320 0.001 0.000 0.218 101 A C 2.049 179.609 177.584 -0.039 0.000 1.175 101 A CA 1.677 53.693 52.037 -0.034 0.000 0.628 101 A CB -1.011 17.973 19.000 -0.027 0.000 0.814 101 A HN 0.888 nan 8.150 nan 0.000 0.444 102 D N -0.362 120.019 120.400 -0.031 0.000 2.103 102 D HA -0.101 4.540 4.640 0.001 0.000 0.199 102 D C 1.917 178.193 176.300 -0.038 0.000 0.978 102 D CA 1.394 55.374 54.000 -0.032 0.000 0.829 102 D CB -0.402 40.384 40.800 -0.023 0.000 0.981 102 D HN 0.636 nan 8.370 nan 0.000 0.464 103 E N 0.302 120.481 120.200 -0.035 0.000 2.153 103 E HA -0.104 4.246 4.350 0.001 0.000 0.194 103 E C 2.294 178.861 176.600 -0.055 0.000 0.988 103 E CA 0.335 56.712 56.400 -0.038 0.000 0.811 103 E CB 0.037 29.719 29.700 -0.030 0.000 0.746 103 E HN 0.301 nan 8.360 nan 0.000 0.466 104 I N 1.310 121.842 120.570 -0.064 0.000 2.142 104 I HA -0.316 3.854 4.170 0.001 0.000 0.240 104 I C 2.210 178.254 176.117 -0.122 0.000 1.078 104 I CA 1.334 62.578 61.300 -0.094 0.000 1.343 104 I CB -0.198 37.748 38.000 -0.090 0.000 1.046 104 I HN 0.036 nan 8.210 nan 0.000 0.405 105 K N 0.237 120.578 120.400 -0.098 0.000 2.063 105 K HA -0.275 4.045 4.320 0.001 0.000 0.208 105 K C 2.131 178.674 176.600 -0.095 0.000 1.048 105 K CA 1.477 57.703 56.287 -0.102 0.000 0.928 105 K CB -0.313 32.142 32.500 -0.076 0.000 0.713 105 K HN 0.390 nan 8.250 nan 0.000 0.442 106 Q N 0.664 120.422 119.800 -0.071 0.000 2.084 106 Q HA -0.173 4.168 4.340 0.001 0.000 0.202 106 Q C 2.096 178.060 176.000 -0.060 0.000 0.978 106 Q CA 1.566 57.336 55.803 -0.056 0.000 0.844 106 Q CB -0.099 28.616 28.738 -0.038 0.000 0.898 106 Q HN 0.368 nan 8.270 nan 0.000 0.426 107 A N -0.265 122.513 122.820 -0.071 0.000 1.898 107 A HA -0.116 4.205 4.320 0.001 0.000 0.216 107 A C 2.163 179.692 177.584 -0.093 0.000 1.181 107 A CA 1.407 53.408 52.037 -0.061 0.000 0.620 107 A CB -0.593 18.371 19.000 -0.060 0.000 0.819 107 A HN 0.305 nan 8.150 nan 0.000 0.442 108 V N 0.205 120.010 119.914 -0.182 0.000 2.515 108 V HA -0.244 3.877 4.120 0.001 0.000 0.250 108 V C 2.345 178.345 176.094 -0.156 0.000 1.058 108 V CA 2.227 64.376 62.300 -0.252 0.000 1.064 108 V CB -0.819 30.762 31.823 -0.403 0.000 0.675 108 V HN 0.666 nan 8.190 nan 0.000 0.461 109 E N 0.104 120.234 120.200 -0.117 0.000 2.072 109 E HA -0.184 4.166 4.350 0.001 0.000 0.191 109 E C 2.118 178.672 176.600 -0.076 0.000 0.985 109 E CA 1.368 57.709 56.400 -0.098 0.000 0.801 109 E CB -0.252 29.406 29.700 -0.069 0.000 0.750 109 E HN 0.523 nan 8.360 nan 0.000 0.452 110 I N 1.135 121.682 120.570 -0.038 0.000 2.118 110 I HA -0.305 3.866 4.170 0.001 0.000 0.241 110 I C 2.642 178.783 176.117 0.039 0.000 1.070 110 I CA 1.426 62.729 61.300 0.005 0.000 1.327 110 I CB -0.608 37.410 38.000 0.030 0.000 1.034 110 I HN 0.104 nan 8.210 nan 0.000 0.405 111 V N -1.118 118.842 119.914 0.077 0.000 2.343 111 V HA -0.239 3.881 4.120 0.001 0.000 0.247 111 V C 2.126 178.197 176.094 -0.038 0.000 1.051 111 V CA 1.621 64.053 62.300 0.219 0.000 1.036 111 V CB -0.971 31.119 31.823 0.445 0.000 0.654 111 V HN 0.377 nan 8.190 nan 0.000 0.451 112 K N 1.070 121.230 120.400 -0.401 0.000 2.442 112 K HA 0.212 4.532 4.320 0.001 0.000 0.198 112 K C 2.017 178.479 176.600 -0.229 0.000 1.042 112 K CA 1.073 56.943 56.287 -0.695 0.000 0.958 112 K CB -0.222 31.902 32.500 -0.628 0.000 0.766 112 K HN 0.646 nan 8.250 nan 0.000 0.474 113 A N 1.149 123.907 122.820 -0.104 0.000 2.220 113 A HA 0.026 4.346 4.320 0.001 0.000 0.211 113 A C 1.025 178.594 177.584 -0.025 0.000 1.176 113 A CA -0.093 51.917 52.037 -0.046 0.000 0.834 113 A CB 0.173 19.153 19.000 -0.034 0.000 0.868 113 A HN 0.192 nan 8.150 nan 0.000 0.488 114 S N -0.314 115.381 115.700 -0.009 0.000 2.576 114 S HA 0.428 4.899 4.470 0.001 0.000 0.276 114 S C 1.337 175.869 174.600 -0.114 0.000 1.339 114 S CA 0.096 58.251 58.200 -0.075 0.000 1.039 114 S CB 1.241 64.354 63.200 -0.145 0.000 0.902 114 S HN 0.843 nan 8.310 nan 0.000 0.516 115 A N 3.131 125.846 122.820 -0.176 0.000 1.972 115 A HA -0.058 4.263 4.320 0.001 0.000 0.219 115 A C 1.720 179.178 177.584 -0.210 0.000 1.169 115 A CA 1.676 53.619 52.037 -0.157 0.000 0.635 115 A CB -0.591 18.315 19.000 -0.156 0.000 0.810 115 A HN 0.923 nan 8.150 nan 0.000 0.446 116 D N -1.824 118.305 120.400 -0.451 0.000 2.348 116 D HA 0.071 4.712 4.640 0.001 0.000 0.211 116 D C 0.325 176.491 176.300 -0.224 0.000 0.998 116 D CA -0.113 53.603 54.000 -0.474 0.000 0.873 116 D CB -0.111 40.158 40.800 -0.885 0.000 0.925 116 D HN 0.430 nan 8.370 nan 0.000 0.524 117 F N 2.448 122.246 119.950 -0.253 0.000 2.629 117 F HA -0.041 4.486 4.527 0.000 0.000 0.369 117 F C 0.544 176.407 175.800 0.104 0.000 1.125 117 F CA 0.302 58.400 58.000 0.163 0.000 1.330 117 F CB 0.466 39.597 39.000 0.218 0.000 1.071 117 F HN -0.399 nan 8.300 nan 0.000 0.595 118 K N 6.881 127.009 120.400 -0.454 0.000 2.397 118 K HA 0.248 4.569 4.320 0.001 0.000 0.253 118 K C -2.155 174.235 176.600 -0.351 0.000 0.932 118 K CA -1.671 54.470 56.287 -0.243 0.000 0.795 118 K CB 1.664 34.059 32.500 -0.174 0.000 1.159 118 K HN 0.247 nan 8.250 nan 0.000 0.424 119 P HA -0.257 nan 4.420 nan 0.000 0.219 119 P C 0.585 177.912 177.300 0.045 0.000 1.151 119 P CA 1.599 64.761 63.100 0.103 0.000 0.850 119 P CB 0.144 31.892 31.700 0.080 0.000 0.784 120 N N -2.567 116.105 118.700 -0.047 0.000 2.268 120 N HA 0.000 4.741 4.740 0.001 0.000 0.204 120 N C -0.382 175.067 175.510 -0.102 0.000 1.124 120 N CA 0.241 53.274 53.050 -0.028 0.000 0.838 120 N CB -0.947 37.524 38.487 -0.026 0.000 0.994 120 N HN -0.069 nan 8.380 nan 0.000 0.489 121 T N 1.666 116.069 114.554 -0.251 0.000 2.902 121 T HA 0.143 4.494 4.350 0.001 0.000 0.301 121 T C 0.464 174.943 174.700 -0.367 0.000 1.012 121 T CA 0.130 61.981 62.100 -0.414 0.000 1.151 121 T CB 0.857 69.193 68.868 -0.885 0.000 0.946 121 T HN 0.207 nan 8.240 nan 0.000 0.542 122 R N 1.129 121.418 120.500 -0.352 0.000 2.782 122 R HA 0.608 4.948 4.340 0.001 0.000 0.258 122 R C -0.987 175.028 176.300 -0.474 0.000 1.055 122 R CA -0.710 55.246 56.100 -0.239 0.000 1.065 122 R CB 1.099 31.455 30.300 0.094 0.000 1.172 122 R HN 0.487 nan 8.270 nan 0.000 0.510 123 F N -0.031 120.014 119.950 0.158 0.000 2.403 123 F HA 0.196 4.723 4.527 0.001 0.000 0.355 123 F C 1.314 177.186 175.800 0.120 0.000 1.119 123 F CA -0.645 57.425 58.000 0.116 0.000 1.007 123 F CB 1.982 41.041 39.000 0.098 0.000 1.194 123 F HN 0.624 nan 8.300 nan 0.000 0.443 124 T N -1.761 112.913 114.554 0.200 0.000 3.014 124 T HA 0.058 4.409 4.350 0.001 0.000 0.263 124 T C 0.341 175.126 174.700 0.141 0.000 1.078 124 T CA 0.537 62.726 62.100 0.149 0.000 1.135 124 T CB 0.228 69.152 68.868 0.094 0.000 0.895 124 T HN 0.599 nan 8.240 nan 0.000 0.480 125 E N -0.333 119.962 120.200 0.158 0.000 2.388 125 E HA 0.494 4.844 4.350 0.001 0.000 0.289 125 E C -2.050 174.617 176.600 0.112 0.000 0.944 125 E CA -0.700 55.766 56.400 0.110 0.000 0.792 125 E CB 1.701 31.438 29.700 0.061 0.000 1.239 125 E HN 0.337 nan 8.360 nan 0.000 0.412 126 I N 3.194 123.805 120.570 0.070 0.000 2.493 126 I HA 0.362 4.533 4.170 0.001 0.000 0.279 126 I C -0.861 175.264 176.117 0.013 0.000 1.045 126 I CA -0.328 60.990 61.300 0.032 0.000 1.106 126 I CB 1.747 39.727 38.000 -0.034 0.000 1.216 126 I HN 0.309 nan 8.210 nan 0.000 0.459 127 S N 4.864 120.574 115.700 0.016 0.000 2.588 127 S HA 0.520 4.990 4.470 0.001 0.000 0.275 127 S C -0.755 173.845 174.600 0.000 0.000 1.130 127 S CA -0.658 57.545 58.200 0.004 0.000 0.855 127 S CB 2.434 65.642 63.200 0.013 0.000 1.116 127 S HN 0.488 nan 8.310 nan 0.000 0.472 128 L N 2.615 123.830 121.223 -0.012 0.000 2.525 128 L HA 0.308 4.649 4.340 0.001 0.000 0.278 128 L C -0.493 176.371 176.870 -0.010 0.000 1.218 128 L CA -0.139 54.691 54.840 -0.017 0.000 0.878 128 L CB 0.109 42.149 42.059 -0.031 0.000 1.127 128 L HN 0.584 nan 8.230 nan 0.000 0.492 129 L N 8.313 129.533 121.223 -0.005 0.000 2.290 129 L HA 0.516 4.857 4.340 0.001 0.000 0.284 129 L C -2.226 174.642 176.870 -0.003 0.000 1.078 129 L CA -2.316 52.525 54.840 0.003 0.000 0.815 129 L CB 0.098 42.163 42.059 0.010 0.000 1.162 129 L HN 0.532 nan 8.230 nan 0.000 0.435 130 P HA 0.102 nan 4.420 nan 0.000 0.256 130 P C -2.398 174.914 177.300 0.021 0.000 1.189 130 P CA -0.497 62.610 63.100 0.012 0.000 0.808 130 P CB -0.522 31.199 31.700 0.035 0.000 0.793 131 P HA 0.007 nan 4.420 nan 0.000 0.271 131 P C -0.150 177.166 177.300 0.028 0.000 1.244 131 P CA -0.057 63.045 63.100 0.003 0.000 0.793 131 P CB 0.373 32.054 31.700 -0.031 0.000 0.984 132 D N 0.994 121.407 120.400 0.022 0.000 2.383 132 D HA -0.015 4.626 4.640 0.001 0.000 0.252 132 D C 0.928 177.217 176.300 -0.018 0.000 1.166 132 D CA -0.304 53.710 54.000 0.023 0.000 0.879 132 D CB 1.003 41.820 40.800 0.030 0.000 1.164 132 D HN 0.348 nan 8.370 nan 0.000 0.462 133 K N 2.861 123.201 120.400 -0.099 0.000 2.071 133 K HA -0.348 3.972 4.320 0.001 0.000 0.217 133 K C 1.788 178.251 176.600 -0.229 0.000 1.054 133 K CA 2.244 58.271 56.287 -0.433 0.000 0.937 133 K CB -0.103 31.905 32.500 -0.820 0.000 0.719 133 K HN 0.661 nan 8.250 nan 0.000 0.454 134 E N -0.472 119.672 120.200 -0.093 0.000 2.118 134 E HA -0.227 4.124 4.350 0.001 0.000 0.195 134 E C 1.738 178.389 176.600 0.085 0.000 0.992 134 E CA 1.255 57.672 56.400 0.029 0.000 0.804 134 E CB -0.188 29.521 29.700 0.016 0.000 0.741 134 E HN 0.489 nan 8.360 nan 0.000 0.458 135 A N 0.339 123.191 122.820 0.054 0.000 1.929 135 A HA -0.079 4.242 4.320 0.001 0.000 0.216 135 A C 2.383 180.031 177.584 0.107 0.000 1.176 135 A CA 1.175 53.258 52.037 0.076 0.000 0.628 135 A CB -0.465 18.563 19.000 0.045 0.000 0.816 135 A HN 0.227 nan 8.150 nan 0.000 0.444 136 V N -2.240 117.716 119.914 0.070 0.000 2.407 136 V HA -0.279 3.841 4.120 0.001 0.000 0.248 136 V C 2.171 178.372 176.094 0.177 0.000 1.055 136 V CA 1.693 64.023 62.300 0.050 0.000 1.049 136 V CB -0.872 30.980 31.823 0.049 0.000 0.662 136 V HN 0.795 nan 8.190 nan 0.000 0.455 137 W N -0.419 120.968 121.300 0.146 0.000 2.476 137 W HA 0.029 4.690 4.660 0.001 0.000 0.281 137 W C 2.491 179.072 176.519 0.104 0.000 1.230 137 W CA 0.670 58.102 57.345 0.144 0.000 1.287 137 W CB -0.093 29.412 29.460 0.075 0.000 1.108 137 W HN 0.172 nan 8.180 nan 0.000 0.567 138 A N -0.424 122.587 122.820 0.319 0.000 2.015 138 A HA -0.206 4.114 4.320 0.001 0.000 0.219 138 A C 1.600 179.289 177.584 0.175 0.000 1.163 138 A CA 1.250 53.402 52.037 0.191 0.000 0.646 138 A CB -1.054 18.020 19.000 0.123 0.000 0.806 138 A HN 0.415 nan 8.150 nan 0.000 0.448 139 F N 0.920 120.902 119.950 0.054 0.000 2.128 139 F HA 0.035 4.562 4.527 0.001 0.000 0.295 139 F C 2.445 178.247 175.800 0.005 0.000 1.100 139 F CA 1.235 59.224 58.000 -0.018 0.000 1.260 139 F CB -0.418 38.508 39.000 -0.123 0.000 1.009 139 F HN 0.223 nan 8.300 nan 0.000 0.476 140 A N 0.488 123.509 122.820 0.335 0.000 1.930 140 A HA -0.073 4.247 4.320 0.001 0.000 0.217 140 A C 2.205 179.908 177.584 0.197 0.000 1.175 140 A CA 1.870 54.083 52.037 0.293 0.000 0.627 140 A CB -0.972 18.285 19.000 0.429 0.000 0.815 140 A HN 0.513 nan 8.150 nan 0.000 0.443 141 L N -1.909 119.447 121.223 0.221 0.000 2.298 141 L HA 0.075 4.415 4.340 0.001 0.000 0.209 141 L C 1.828 178.718 176.870 0.034 0.000 1.084 141 L CA 0.869 55.786 54.840 0.128 0.000 0.816 141 L CB -0.110 42.021 42.059 0.121 0.000 0.967 141 L HN 0.374 nan 8.230 nan 0.000 0.460 142 E N -1.146 119.061 120.200 0.011 0.000 2.562 142 E HA 0.075 4.425 4.350 0.001 0.000 0.214 142 E C 0.034 176.575 176.600 -0.098 0.000 0.979 142 E CA -0.167 56.215 56.400 -0.030 0.000 1.002 142 E CB 0.497 30.194 29.700 -0.005 0.000 1.048 142 E HN 0.203 nan 8.360 nan 0.000 0.488 143 N N 1.723 120.301 118.700 -0.205 0.000 2.782 143 N HA -0.182 4.558 4.740 0.001 0.000 0.251 143 N C -0.497 174.859 175.510 -0.257 0.000 1.101 143 N CA 0.752 53.565 53.050 -0.396 0.000 0.764 143 N CB -0.611 37.710 38.487 -0.277 0.000 1.122 143 N HN 0.195 nan 8.380 nan 0.000 0.561 144 K N 1.396 121.738 120.400 -0.096 0.000 2.322 144 K HA 0.272 4.593 4.320 0.001 0.000 0.283 144 K C -2.372 174.302 176.600 0.124 0.000 1.042 144 K CA -1.179 55.114 56.287 0.010 0.000 0.958 144 K CB 0.765 33.290 32.500 0.042 0.000 0.984 144 K HN -0.088 nan 8.250 nan 0.000 0.473 145 P HA -0.048 nan 4.420 nan 0.000 0.269 145 P C -0.992 176.398 177.300 0.149 0.000 1.215 145 P CA -0.383 62.837 63.100 0.200 0.000 0.780 145 P CB 0.591 32.360 31.700 0.115 0.000 0.898 146 V N 3.427 123.406 119.914 0.108 0.000 2.368 146 V HA 0.055 4.176 4.120 0.001 0.000 0.266 146 V C 0.868 176.978 176.094 0.026 0.000 1.045 146 V CA 0.315 62.638 62.300 0.038 0.000 0.899 146 V CB 0.481 32.280 31.823 -0.040 0.000 1.006 146 V HN 0.508 nan 8.190 nan 0.000 0.470 147 D N 3.218 123.635 120.400 0.029 0.000 2.323 147 D HA 0.021 4.662 4.640 0.001 0.000 0.239 147 D C 0.747 177.055 176.300 0.014 0.000 1.129 147 D CA 0.478 54.491 54.000 0.023 0.000 0.865 147 D CB 0.459 41.274 40.800 0.025 0.000 0.913 147 D HN 0.666 nan 8.370 nan 0.000 0.517 148 Q N 1.580 121.384 119.800 0.007 0.000 2.266 148 Q HA 0.362 4.703 4.340 0.001 0.000 0.261 148 Q C -2.691 173.308 176.000 -0.001 0.000 0.985 148 Q CA -1.964 53.842 55.803 0.005 0.000 0.873 148 Q CB 2.054 30.796 28.738 0.008 0.000 1.306 148 Q HN -0.177 nan 8.270 nan 0.000 0.447 149 P HA 0.098 nan 4.420 nan 0.000 0.268 149 P C -0.929 176.368 177.300 -0.006 0.000 1.204 149 P CA -0.048 63.052 63.100 -0.000 0.000 0.768 149 P CB 0.427 32.130 31.700 0.006 0.000 0.842 150 R N 3.231 123.724 120.500 -0.012 0.000 2.484 150 R HA 0.159 4.500 4.340 0.001 0.000 0.293 150 R C 0.437 176.732 176.300 -0.008 0.000 1.023 150 R CA 0.501 56.591 56.100 -0.017 0.000 1.037 150 R CB 0.228 30.516 30.300 -0.020 0.000 0.951 150 R HN 0.530 nan 8.270 nan 0.000 0.418 151 K N 0.774 121.170 120.400 -0.006 0.000 2.400 151 K HA 0.727 5.048 4.320 0.001 0.000 0.246 151 K C -1.055 175.546 176.600 0.002 0.000 0.995 151 K CA -0.889 55.400 56.287 0.003 0.000 0.840 151 K CB 2.443 34.949 32.500 0.010 0.000 1.293 151 K HN 0.590 nan 8.250 nan 0.000 0.445 152 A N 1.125 123.951 122.820 0.010 0.000 2.475 152 A HA 0.421 4.742 4.320 0.001 0.000 0.301 152 A C -1.549 176.049 177.584 0.023 0.000 1.059 152 A CA -0.780 51.263 52.037 0.009 0.000 0.710 152 A CB 1.162 20.162 19.000 0.000 0.000 1.288 152 A HN 0.622 nan 8.150 nan 0.000 0.408 153 D N 1.208 121.624 120.400 0.027 0.000 2.249 153 D HA 0.459 5.100 4.640 0.001 0.000 0.246 153 D C -0.805 175.526 176.300 0.051 0.000 1.114 153 D CA 0.281 54.305 54.000 0.040 0.000 0.854 153 D CB 1.774 42.599 40.800 0.042 0.000 1.132 153 D HN 0.152 nan 8.370 nan 0.000 0.461 154 V N 4.846 124.797 119.914 0.062 0.000 2.349 154 V HA 0.324 4.445 4.120 0.001 0.000 0.284 154 V C 0.309 176.461 176.094 0.096 0.000 1.014 154 V CA -0.687 61.677 62.300 0.107 0.000 0.826 154 V CB 1.169 33.074 31.823 0.137 0.000 1.009 154 V HN 0.370 nan 8.190 nan 0.000 0.431 155 I N 5.909 126.554 120.570 0.125 0.000 2.315 155 I HA 0.489 4.659 4.170 0.001 0.000 0.291 155 I C -0.069 176.098 176.117 0.084 0.000 1.006 155 I CA -0.117 61.234 61.300 0.084 0.000 1.265 155 I CB 1.412 39.482 38.000 0.117 0.000 1.387 155 I HN 0.457 nan 8.210 nan 0.000 0.475 156 M N 6.361 125.932 119.600 -0.048 0.000 2.644 156 M HA 0.488 4.968 4.480 0.001 0.000 0.316 156 M C -1.110 175.093 176.300 -0.162 0.000 1.200 156 M CA -0.925 54.283 55.300 -0.154 0.000 0.944 156 M CB 2.599 35.030 32.600 -0.283 0.000 1.691 156 M HN 0.308 nan 8.290 nan 0.000 0.471 157 L N 2.317 123.426 121.223 -0.190 0.000 2.316 157 L HA 0.403 4.743 4.340 0.001 0.000 0.280 157 L C -1.190 175.574 176.870 -0.177 0.000 1.006 157 L CA -0.186 54.569 54.840 -0.143 0.000 0.836 157 L CB 0.993 42.997 42.059 -0.091 0.000 1.221 157 L HN 0.581 nan 8.230 nan 0.000 0.418 158 D N 4.515 124.830 120.400 -0.141 0.000 2.485 158 D HA 0.549 5.190 4.640 0.001 0.000 0.221 158 D C 0.947 177.207 176.300 -0.067 0.000 1.112 158 D CA 0.758 54.683 54.000 -0.125 0.000 0.911 158 D CB 0.548 41.293 40.800 -0.091 0.000 1.019 158 D HN 0.839 nan 8.370 nan 0.000 0.516 159 G N 4.946 113.691 108.800 -0.092 0.000 2.687 159 G HA2 -0.368 3.593 3.960 0.001 0.000 0.303 159 G HA3 -0.368 3.593 3.960 0.001 0.000 0.303 159 G C 0.788 175.593 174.900 -0.158 0.000 1.209 159 G CA 0.723 45.766 45.100 -0.095 0.000 0.968 159 G HN 0.677 nan 8.290 nan 0.000 0.549 160 K N 0.870 121.089 120.400 -0.301 0.000 2.402 160 K HA 0.291 4.612 4.320 0.001 0.000 0.204 160 K C 0.065 176.386 176.600 -0.465 0.000 1.056 160 K CA -0.134 55.938 56.287 -0.358 0.000 1.069 160 K CB 0.340 32.612 32.500 -0.381 0.000 0.888 160 K HN 0.632 nan 8.250 nan 0.000 0.546 161 H N 1.558 120.544 119.070 -0.141 0.000 2.489 161 H HA 0.258 4.814 4.556 0.001 0.000 0.322 161 H C -0.192 175.025 175.328 -0.185 0.000 1.091 161 H CA -0.762 55.185 56.048 -0.169 0.000 1.291 161 H CB 1.362 31.044 29.762 -0.133 0.000 1.436 161 H HN 0.017 nan 8.280 nan 0.000 0.480 162 I N 4.635 125.133 120.570 -0.119 0.000 2.428 162 I HA 0.186 4.356 4.170 0.001 0.000 0.289 162 I C 0.566 176.570 176.117 -0.189 0.000 1.019 162 I CA -0.324 60.867 61.300 -0.183 0.000 1.351 162 I CB 0.611 38.409 38.000 -0.337 0.000 1.412 162 I HN 0.445 nan 8.210 nan 0.000 0.513 163 I N 5.596 126.034 120.570 -0.219 0.000 2.533 163 I HA 0.294 4.464 4.170 0.001 0.000 0.290 163 I C -0.134 175.807 176.117 -0.292 0.000 1.056 163 I CA -0.513 60.595 61.300 -0.319 0.000 1.057 163 I CB 2.087 39.760 38.000 -0.547 0.000 1.240 163 I HN 0.445 nan 8.210 nan 0.000 0.423 164 E N 4.829 124.888 120.200 -0.235 0.000 2.133 164 E HA 0.728 5.078 4.350 0.001 0.000 0.274 164 E C -0.863 175.634 176.600 -0.172 0.000 0.930 164 E CA -0.640 55.685 56.400 -0.124 0.000 0.770 164 E CB 2.027 31.722 29.700 -0.008 0.000 1.104 164 E HN 0.662 nan 8.360 nan 0.000 0.403 165 A N 2.652 125.393 122.820 -0.131 0.000 2.384 165 A HA 0.745 5.065 4.320 0.001 0.000 0.312 165 A C -0.957 176.648 177.584 0.034 0.000 1.113 165 A CA -0.622 51.386 52.037 -0.047 0.000 0.779 165 A CB 1.535 20.518 19.000 -0.028 0.000 1.307 165 A HN 0.382 nan 8.150 nan 0.000 0.436 166 V N 1.324 121.281 119.914 0.072 0.000 2.577 166 V HA 0.559 4.679 4.120 0.001 0.000 0.303 166 V C -0.394 175.746 176.094 0.078 0.000 1.042 166 V CA -0.516 61.822 62.300 0.063 0.000 0.872 166 V CB 1.537 33.392 31.823 0.054 0.000 0.998 166 V HN 1.114 nan 8.190 nan 0.000 0.423 167 V N 0.451 120.402 119.914 0.062 0.000 2.581 167 V HA 0.695 4.815 4.120 0.001 0.000 0.303 167 V C -0.501 175.615 176.094 0.036 0.000 1.041 167 V CA -0.581 61.753 62.300 0.057 0.000 0.907 167 V CB 2.027 33.880 31.823 0.049 0.000 0.994 167 V HN 0.807 nan 8.190 nan 0.000 0.442 168 D N 3.226 123.646 120.400 0.032 0.000 2.396 168 D HA 0.368 5.008 4.640 0.001 0.000 0.225 168 D C 0.778 177.085 176.300 0.013 0.000 1.121 168 D CA -0.194 53.818 54.000 0.021 0.000 0.853 168 D CB 1.548 42.361 40.800 0.023 0.000 1.043 168 D HN 0.634 nan 8.370 nan 0.000 0.500 169 L N 2.940 124.166 121.223 0.005 0.000 2.179 169 L HA -0.065 4.275 4.340 0.001 0.000 0.208 169 L C 2.490 179.360 176.870 -0.001 0.000 1.096 169 L CA 0.507 55.346 54.840 -0.001 0.000 0.779 169 L CB -0.234 41.820 42.059 -0.008 0.000 0.922 169 L HN 0.457 nan 8.230 nan 0.000 0.443 170 Q N 0.742 120.542 119.800 0.000 0.000 1.993 170 Q HA -0.168 4.173 4.340 0.001 0.000 0.202 170 Q C 1.496 177.498 176.000 0.003 0.000 0.984 170 Q CA 1.696 57.500 55.803 0.001 0.000 0.837 170 Q CB 0.150 28.890 28.738 0.002 0.000 0.902 170 Q HN 0.459 nan 8.270 nan 0.000 0.423 171 N N 0.883 119.587 118.700 0.006 0.000 2.383 171 N HA -0.048 4.693 4.740 0.001 0.000 0.192 171 N C -0.379 175.136 175.510 0.008 0.000 1.141 171 N CA 0.513 53.567 53.050 0.007 0.000 0.851 171 N CB -0.052 38.442 38.487 0.010 0.000 0.976 171 N HN 0.338 nan 8.380 nan 0.000 0.465 172 N N 1.125 119.829 118.700 0.006 0.000 2.714 172 N HA -0.234 4.506 4.740 0.001 0.000 0.252 172 N C -0.994 174.523 175.510 0.012 0.000 1.014 172 N CA 0.849 53.903 53.050 0.006 0.000 0.735 172 N CB -0.866 37.621 38.487 0.000 0.000 0.924 172 N HN 0.538 nan 8.380 nan 0.000 0.540 173 K N -1.278 119.134 120.400 0.020 0.000 2.482 173 K HA 0.582 4.903 4.320 0.001 0.000 0.257 173 K C -0.938 175.689 176.600 0.046 0.000 0.969 173 K CA -1.266 55.038 56.287 0.029 0.000 0.842 173 K CB 1.080 33.595 32.500 0.024 0.000 1.359 173 K HN -0.002 nan 8.250 nan 0.000 0.441 174 L N 2.962 124.223 121.223 0.063 0.000 2.369 174 L HA 0.169 4.509 4.340 0.001 0.000 0.279 174 L C 0.279 177.204 176.870 0.091 0.000 1.108 174 L CA 0.031 54.931 54.840 0.099 0.000 0.852 174 L CB 0.173 42.311 42.059 0.131 0.000 1.169 174 L HN 0.812 nan 8.230 nan 0.000 0.452 175 L N 2.975 124.253 121.223 0.092 0.000 2.298 175 L HA 0.226 4.566 4.340 0.001 0.000 0.209 175 L C 0.550 177.478 176.870 0.097 0.000 1.084 175 L CA 0.491 55.378 54.840 0.078 0.000 0.816 175 L CB -0.222 41.873 42.059 0.060 0.000 0.967 175 L HN 0.810 nan 8.230 nan 0.000 0.460 176 S N -2.433 113.347 115.700 0.133 0.000 2.567 176 S HA 0.394 4.865 4.470 0.001 0.000 0.270 176 S C -1.975 172.775 174.600 0.251 0.000 1.152 176 S CA -0.757 57.538 58.200 0.159 0.000 0.835 176 S CB 2.078 65.342 63.200 0.106 0.000 1.115 176 S HN 0.209 nan 8.310 nan 0.000 0.459 177 W N 2.513 123.839 121.300 0.044 0.000 2.642 177 W HA 0.368 5.028 4.660 0.001 0.000 0.304 177 W C -1.868 174.671 176.519 0.032 0.000 1.023 177 W CA -0.313 57.061 57.345 0.049 0.000 1.290 177 W CB 1.168 30.659 29.460 0.051 0.000 1.190 177 W HN 0.931 nan 8.180 nan 0.000 0.374 178 Q N 5.586 125.370 119.800 -0.028 0.000 2.339 178 Q HA 0.353 4.693 4.340 0.001 0.000 0.268 178 Q C -2.411 173.537 176.000 -0.087 0.000 1.027 178 Q CA -1.987 53.817 55.803 0.002 0.000 0.759 178 Q CB 2.457 31.207 28.738 0.020 0.000 1.244 178 Q HN 0.052 nan 8.270 nan 0.000 0.464 179 P HA 0.080 nan 4.420 nan 0.000 0.268 179 P C -0.784 176.468 177.300 -0.080 0.000 1.205 179 P CA -0.041 63.018 63.100 -0.069 0.000 0.771 179 P CB 0.582 32.277 31.700 -0.008 0.000 0.858 180 I N 3.020 123.513 120.570 -0.129 0.000 2.390 180 I HA 0.185 4.356 4.170 0.001 0.000 0.283 180 I C 0.777 176.797 176.117 -0.162 0.000 1.016 180 I CA -1.428 59.781 61.300 -0.152 0.000 1.151 180 I CB 0.710 38.548 38.000 -0.270 0.000 1.293 180 I HN 0.333 nan 8.210 nan 0.000 0.458 181 K N 5.251 125.590 120.400 -0.101 0.000 2.326 181 K HA 0.137 4.458 4.320 0.001 0.000 0.275 181 K C -0.058 176.483 176.600 -0.098 0.000 1.018 181 K CA -0.050 56.186 56.287 -0.084 0.000 0.962 181 K CB 1.172 33.641 32.500 -0.051 0.000 0.953 181 K HN 0.551 nan 8.250 nan 0.000 0.475 182 D N -1.271 119.065 120.400 -0.106 0.000 2.880 182 D HA -0.202 4.439 4.640 0.001 0.000 0.198 182 D C 0.057 176.241 176.300 -0.194 0.000 1.059 182 D CA 1.923 55.849 54.000 -0.123 0.000 1.019 182 D CB -1.144 39.627 40.800 -0.048 0.000 1.112 182 D HN 0.835 nan 8.370 nan 0.000 0.424 183 A N 0.677 123.344 122.820 -0.256 0.000 2.371 183 A HA 0.411 4.731 4.320 0.001 0.000 0.257 183 A C 0.209 177.567 177.584 -0.375 0.000 1.089 183 A CA 0.031 51.881 52.037 -0.313 0.000 0.794 183 A CB 0.562 19.150 19.000 -0.688 0.000 1.029 183 A HN 0.206 nan 8.150 nan 0.000 0.488 184 H N 0.449 119.438 119.070 -0.134 0.000 2.479 184 H HA 0.456 5.012 4.556 0.001 0.000 0.335 184 H C 0.746 176.042 175.328 -0.053 0.000 1.142 184 H CA 0.462 56.451 56.048 -0.099 0.000 1.234 184 H CB 1.773 31.498 29.762 -0.063 0.000 1.503 184 H HN 0.866 nan 8.280 nan 0.000 0.510 185 G N 2.069 110.896 108.800 0.045 0.000 2.476 185 G HA2 0.344 4.305 3.960 0.001 0.000 0.286 185 G HA3 0.344 4.305 3.960 0.001 0.000 0.286 185 G C 0.713 175.634 174.900 0.036 0.000 1.177 185 G CA -0.697 44.433 45.100 0.050 0.000 0.870 185 G HN 0.644 nan 8.290 nan 0.000 0.528 186 M N 0.455 120.067 119.600 0.019 0.000 1.868 186 M HA 0.401 4.881 4.480 0.001 0.000 0.227 186 M C -0.325 175.914 176.300 -0.101 0.000 1.334 186 M CA -0.152 55.112 55.300 -0.060 0.000 0.974 186 M CB 0.209 32.773 32.600 -0.059 0.000 1.303 186 M HN 0.135 nan 8.290 nan 0.000 0.446 187 V N 2.044 121.838 119.914 -0.200 0.000 2.530 187 V HA 0.318 4.439 4.120 0.001 0.000 0.282 187 V C 0.380 176.452 176.094 -0.037 0.000 1.048 187 V CA -0.425 61.776 62.300 -0.166 0.000 0.997 187 V CB 0.605 32.233 31.823 -0.326 0.000 0.987 187 V HN 0.633 nan 8.190 nan 0.000 0.477 188 L N 3.659 124.864 121.223 -0.030 0.000 2.322 188 L HA 0.385 4.726 4.340 0.001 0.000 0.269 188 L C 1.078 177.882 176.870 -0.111 0.000 1.012 188 L CA -0.758 54.018 54.840 -0.106 0.000 0.815 188 L CB 1.670 43.595 42.059 -0.225 0.000 1.295 188 L HN 0.517 nan 8.230 nan 0.000 0.438 189 L N 1.477 122.530 121.223 -0.284 0.000 2.079 189 L HA -0.232 4.108 4.340 0.001 0.000 0.210 189 L C 2.212 178.988 176.870 -0.157 0.000 1.081 189 L CA 2.023 56.736 54.840 -0.212 0.000 0.752 189 L CB -0.561 41.389 42.059 -0.180 0.000 0.896 189 L HN 0.863 nan 8.230 nan 0.000 0.433 190 D N -1.838 118.309 120.400 -0.422 0.000 2.218 190 D HA -0.237 4.404 4.640 0.001 0.000 0.204 190 D C 1.393 177.677 176.300 -0.026 0.000 0.976 190 D CA 1.241 55.149 54.000 -0.154 0.000 0.853 190 D CB -0.575 40.148 40.800 -0.129 0.000 0.939 190 D HN 0.370 nan 8.370 nan 0.000 0.481 191 D N 0.184 120.569 120.400 -0.024 0.000 2.149 191 D HA -0.152 4.489 4.640 0.001 0.000 0.198 191 D C 1.862 178.185 176.300 0.037 0.000 0.990 191 D CA 0.727 54.721 54.000 -0.010 0.000 0.839 191 D CB -0.547 40.220 40.800 -0.054 0.000 0.948 191 D HN 0.279 nan 8.370 nan 0.000 0.460 192 F N 1.415 121.323 119.950 -0.070 0.000 2.113 192 F HA -0.055 4.472 4.527 0.001 0.000 0.297 192 F C 2.579 178.346 175.800 -0.054 0.000 1.103 192 F CA 0.850 58.825 58.000 -0.041 0.000 1.248 192 F CB -0.950 38.043 39.000 -0.012 0.000 0.999 192 F HN -0.077 nan 8.300 nan 0.000 0.475 193 A N -1.168 121.747 122.820 0.158 0.000 1.972 193 A HA -0.179 4.142 4.320 0.001 0.000 0.219 193 A C 2.391 179.982 177.584 0.011 0.000 1.169 193 A CA 1.839 53.915 52.037 0.064 0.000 0.635 193 A CB -1.148 17.883 19.000 0.051 0.000 0.810 193 A HN 0.340 nan 8.150 nan 0.000 0.446 194 S N -0.630 115.071 115.700 0.001 0.000 2.356 194 S HA -0.131 4.340 4.470 0.001 0.000 0.223 194 S C 1.922 176.480 174.600 -0.070 0.000 1.032 194 S CA 1.622 59.801 58.200 -0.034 0.000 1.005 194 S CB -0.501 62.677 63.200 -0.037 0.000 0.867 194 S HN 0.292 nan 8.310 nan 0.000 0.449 195 V N 1.676 121.535 119.914 -0.091 0.000 2.332 195 V HA -0.191 3.930 4.120 0.001 0.000 0.248 195 V C 2.738 178.740 176.094 -0.154 0.000 1.055 195 V CA 2.414 64.630 62.300 -0.141 0.000 1.038 195 V CB -0.883 30.832 31.823 -0.179 0.000 0.651 195 V HN 0.544 nan 8.190 nan 0.000 0.450 196 Q N 0.666 120.397 119.800 -0.115 0.000 2.061 196 Q HA -0.211 4.129 4.340 0.001 0.000 0.204 196 Q C 1.874 177.803 176.000 -0.118 0.000 0.984 196 Q CA 2.578 58.310 55.803 -0.119 0.000 0.846 196 Q CB -0.507 28.189 28.738 -0.070 0.000 0.902 196 Q HN 0.800 nan 8.270 nan 0.000 0.421 197 N N -0.706 117.944 118.700 -0.083 0.000 2.120 197 N HA -0.099 4.641 4.740 0.001 0.000 0.188 197 N C 1.744 177.199 175.510 -0.092 0.000 1.024 197 N CA 1.316 54.323 53.050 -0.071 0.000 0.852 197 N CB -0.156 38.305 38.487 -0.044 0.000 1.003 197 N HN 0.227 nan 8.380 nan 0.000 0.424 198 I N 0.493 120.998 120.570 -0.109 0.000 2.208 198 I HA -0.250 3.921 4.170 0.001 0.000 0.245 198 I C 1.792 177.806 176.117 -0.171 0.000 1.097 198 I CA 0.904 62.132 61.300 -0.120 0.000 1.363 198 I CB -0.110 37.819 38.000 -0.118 0.000 1.051 198 I HN 0.122 nan 8.210 nan 0.000 0.413 199 I N 0.906 121.319 120.570 -0.263 0.000 2.202 199 I HA -0.291 3.880 4.170 0.001 0.000 0.242 199 I C 2.047 178.013 176.117 -0.253 0.000 1.091 199 I CA 1.784 62.815 61.300 -0.448 0.000 1.368 199 I CB -0.731 36.850 38.000 -0.699 0.000 1.058 199 I HN 0.210 nan 8.210 nan 0.000 0.410 200 N N -0.036 118.568 118.700 -0.160 0.000 2.364 200 N HA -0.154 4.587 4.740 0.001 0.000 0.183 200 N C 1.180 176.666 175.510 -0.040 0.000 1.022 200 N CA 0.989 53.995 53.050 -0.073 0.000 0.883 200 N CB -0.214 38.236 38.487 -0.060 0.000 0.965 200 N HN 0.477 nan 8.380 nan 0.000 0.438 201 N N -0.444 118.226 118.700 -0.051 0.000 2.325 201 N HA 0.009 4.749 4.740 0.001 0.000 0.182 201 N C -0.177 175.326 175.510 -0.012 0.000 1.088 201 N CA -0.194 52.841 53.050 -0.026 0.000 0.879 201 N CB 0.475 38.943 38.487 -0.030 0.000 0.983 201 N HN -0.062 nan 8.380 nan 0.000 0.471 202 S N 1.456 117.148 115.700 -0.014 0.000 2.465 202 S HA -0.001 4.469 4.470 0.001 0.000 0.280 202 S C 1.340 175.982 174.600 0.070 0.000 1.232 202 S CA -0.628 57.586 58.200 0.025 0.000 1.066 202 S CB 0.517 63.736 63.200 0.033 0.000 0.929 202 S HN 0.207 nan 8.310 nan 0.000 0.494 203 E N 5.358 125.586 120.200 0.047 0.000 2.107 203 E HA -0.176 4.174 4.350 0.001 0.000 0.191 203 E C 1.190 177.822 176.600 0.053 0.000 0.982 203 E CA 1.294 57.720 56.400 0.043 0.000 0.809 203 E CB -0.612 29.101 29.700 0.022 0.000 0.756 203 E HN 0.912 nan 8.360 nan 0.000 0.459 204 E N 0.151 120.387 120.200 0.058 0.000 2.107 204 E HA -0.063 4.288 4.350 0.001 0.000 0.191 204 E C 1.898 178.543 176.600 0.075 0.000 0.982 204 E CA 0.787 57.215 56.400 0.047 0.000 0.809 204 E CB -0.421 29.300 29.700 0.036 0.000 0.756 204 E HN 0.207 nan 8.360 nan 0.000 0.459 205 F N 1.830 121.762 119.950 -0.030 0.000 2.171 205 F HA -0.141 4.386 4.527 0.001 0.000 0.300 205 F C 2.278 178.060 175.800 -0.030 0.000 1.090 205 F CA 1.257 59.237 58.000 -0.034 0.000 1.293 205 F CB -0.125 38.850 39.000 -0.042 0.000 1.013 205 F HN -0.029 nan 8.300 nan 0.000 0.486 206 A N 0.064 123.005 122.820 0.200 0.000 1.972 206 A HA -0.066 4.254 4.320 0.001 0.000 0.219 206 A C 2.328 179.905 177.584 -0.011 0.000 1.169 206 A CA 1.619 53.718 52.037 0.103 0.000 0.635 206 A CB -1.368 17.688 19.000 0.094 0.000 0.810 206 A HN 0.461 nan 8.150 nan 0.000 0.446 207 A N -0.385 122.422 122.820 -0.021 0.000 1.930 207 A HA 0.315 4.635 4.320 0.001 0.000 0.215 207 A C 2.438 179.962 177.584 -0.100 0.000 1.176 207 A CA 1.567 53.576 52.037 -0.046 0.000 0.632 207 A CB -0.812 18.173 19.000 -0.026 0.000 0.819 207 A HN 0.947 nan 8.150 nan 0.000 0.445 208 A N -0.592 122.126 122.820 -0.170 0.000 1.930 208 A HA 0.020 4.340 4.320 0.001 0.000 0.217 208 A C 2.190 179.608 177.584 -0.277 0.000 1.175 208 A CA 1.690 53.585 52.037 -0.238 0.000 0.627 208 A CB -0.778 18.028 19.000 -0.323 0.000 0.815 208 A HN 0.335 nan 8.150 nan 0.000 0.443 209 V N -0.008 119.701 119.914 -0.343 0.000 2.427 209 V HA -0.208 3.912 4.120 0.001 0.000 0.248 209 V C 2.514 178.535 176.094 -0.121 0.000 1.051 209 V CA 2.227 64.374 62.300 -0.255 0.000 1.048 209 V CB -0.464 31.229 31.823 -0.218 0.000 0.666 209 V HN 0.615 nan 8.190 nan 0.000 0.456 210 K N 0.843 121.188 120.400 -0.091 0.000 2.097 210 K HA -0.181 4.139 4.320 0.001 0.000 0.206 210 K C 1.935 178.505 176.600 -0.049 0.000 1.049 210 K CA 1.365 57.621 56.287 -0.051 0.000 0.933 210 K CB -0.098 32.381 32.500 -0.034 0.000 0.717 210 K HN 0.555 nan 8.250 nan 0.000 0.442 211 K N 0.200 120.562 120.400 -0.063 0.000 2.569 211 K HA -0.049 4.272 4.320 0.001 0.000 0.193 211 K C 0.563 177.133 176.600 -0.050 0.000 1.026 211 K CA 0.595 56.852 56.287 -0.051 0.000 1.093 211 K CB 0.207 32.677 32.500 -0.050 0.000 0.849 211 K HN 0.029 nan 8.250 nan 0.000 0.509 212 R N -0.103 120.363 120.500 -0.056 0.000 2.629 212 R HA 0.125 4.465 4.340 0.001 0.000 0.386 212 R C 0.339 176.625 176.300 -0.023 0.000 1.071 212 R CA 0.272 56.345 56.100 -0.045 0.000 1.104 212 R CB 1.038 31.297 30.300 -0.069 0.000 1.370 212 R HN 0.500 nan 8.270 nan 0.000 0.574 213 G N 1.302 110.090 108.800 -0.019 0.000 2.234 213 G HA2 -0.286 3.674 3.960 0.001 0.000 0.260 213 G HA3 -0.286 3.674 3.960 0.001 0.000 0.260 213 G C 0.127 175.025 174.900 -0.004 0.000 0.987 213 G CA -0.109 44.987 45.100 -0.006 0.000 0.625 213 G HN 0.177 nan 8.290 nan 0.000 0.532 214 I N 2.612 123.174 120.570 -0.013 0.000 2.436 214 I HA 0.331 4.502 4.170 0.001 0.000 0.289 214 I C 1.922 178.036 176.117 -0.004 0.000 1.083 214 I CA 0.959 62.256 61.300 -0.004 0.000 1.372 214 I CB 1.325 39.325 38.000 -0.001 0.000 1.408 214 I HN 0.321 nan 8.210 nan 0.000 0.516 215 T N 0.861 115.416 114.554 0.002 0.000 2.814 215 T HA -0.014 4.337 4.350 0.001 0.000 0.254 215 T C 0.842 175.546 174.700 0.005 0.000 1.037 215 T CA 0.292 62.393 62.100 0.002 0.000 1.143 215 T CB -0.093 68.776 68.868 0.002 0.000 0.866 215 T HN 0.488 nan 8.240 nan 0.000 0.431 216 D N 1.758 122.163 120.400 0.007 0.000 2.441 216 D HA 0.500 5.140 4.640 0.001 0.000 0.221 216 D C 1.230 177.541 176.300 0.017 0.000 1.156 216 D CA -0.087 53.918 54.000 0.009 0.000 0.896 216 D CB 1.038 41.841 40.800 0.005 0.000 1.028 216 D HN 0.345 nan 8.370 nan 0.000 0.509 217 A N 4.272 127.107 122.820 0.025 0.000 2.076 217 A HA -0.200 4.121 4.320 0.001 0.000 0.220 217 A C 1.864 179.469 177.584 0.036 0.000 1.160 217 A CA 1.163 53.227 52.037 0.045 0.000 0.653 217 A CB -0.062 18.976 19.000 0.062 0.000 0.801 217 A HN 0.415 nan 8.150 nan 0.000 0.455 218 K N 0.069 120.479 120.400 0.017 0.000 2.365 218 K HA 0.007 4.328 4.320 0.001 0.000 0.199 218 K C 1.344 177.942 176.600 -0.004 0.000 1.045 218 K CA 1.031 57.320 56.287 0.003 0.000 0.962 218 K CB -0.070 32.430 32.500 -0.001 0.000 0.759 218 K HN 0.460 nan 8.250 nan 0.000 0.469 219 K N 0.346 120.748 120.400 0.003 0.000 2.458 219 K HA 0.116 4.437 4.320 0.001 0.000 0.194 219 K C -0.543 176.057 176.600 0.002 0.000 1.024 219 K CA -0.063 56.222 56.287 -0.002 0.000 1.108 219 K CB 0.546 33.048 32.500 0.002 0.000 0.846 219 K HN -0.132 nan 8.250 nan 0.000 0.518 220 V N 2.413 122.334 119.914 0.010 0.000 2.461 220 V HA 0.105 4.226 4.120 0.001 0.000 0.275 220 V C -0.161 175.905 176.094 -0.047 0.000 1.047 220 V CA -0.532 61.782 62.300 0.024 0.000 0.955 220 V CB 0.794 32.678 31.823 0.102 0.000 0.988 220 V HN 0.066 nan 8.190 nan 0.000 0.471 221 I N 5.352 125.870 120.570 -0.085 0.000 2.321 221 I HA 0.387 4.557 4.170 0.001 0.000 0.291 221 I C 0.770 176.788 176.117 -0.165 0.000 0.998 221 I CA -0.034 61.113 61.300 -0.255 0.000 1.227 221 I CB 1.570 39.179 38.000 -0.653 0.000 1.368 221 I HN 0.775 nan 8.210 nan 0.000 0.466 222 T N 1.711 116.167 114.554 -0.163 0.000 2.912 222 T HA 0.852 5.203 4.350 0.001 0.000 0.280 222 T C 0.039 174.684 174.700 -0.092 0.000 0.989 222 T CA -0.673 61.360 62.100 -0.112 0.000 0.995 222 T CB 1.512 70.282 68.868 -0.163 0.000 1.077 222 T HN 0.626 nan 8.240 nan 0.000 0.531 223 T N -0.726 113.803 114.554 -0.042 0.000 2.916 223 T HA 0.636 4.987 4.350 0.001 0.000 0.298 223 T C -3.268 171.364 174.700 -0.114 0.000 1.031 223 T CA -1.802 60.288 62.100 -0.015 0.000 0.993 223 T CB 1.903 70.860 68.868 0.148 0.000 1.045 223 T HN 0.554 nan 8.240 nan 0.000 0.454 224 P HA 0.545 nan 4.420 nan 0.000 0.300 224 P C -1.030 176.205 177.300 -0.107 0.000 1.356 224 P CA -0.644 62.279 63.100 -0.295 0.000 0.823 224 P CB 0.913 32.242 31.700 -0.618 0.000 0.934 225 L N 2.852 124.089 121.223 0.024 0.000 2.346 225 L HA 0.494 4.835 4.340 0.001 0.000 0.274 225 L C 1.015 178.003 176.870 0.198 0.000 1.007 225 L CA -0.858 54.118 54.840 0.227 0.000 0.818 225 L CB 1.904 44.199 42.059 0.393 0.000 1.284 225 L HN 0.288 nan 8.230 nan 0.000 0.424 226 T N -1.380 113.349 114.554 0.293 0.000 2.932 226 T HA 0.126 4.476 4.350 0.001 0.000 0.312 226 T C 1.092 175.925 174.700 0.222 0.000 1.071 226 T CA -0.450 61.752 62.100 0.171 0.000 1.128 226 T CB 1.333 70.305 68.868 0.173 0.000 0.984 226 T HN 0.523 nan 8.240 nan 0.000 0.549 227 V N -0.646 119.316 119.914 0.080 0.000 3.471 227 V HA 0.538 4.659 4.120 0.001 0.000 0.258 227 V C 1.317 177.544 176.094 0.222 0.000 1.192 227 V CA 0.677 63.018 62.300 0.068 0.000 1.116 227 V CB -1.584 30.171 31.823 -0.114 0.000 0.792 227 V HN 1.664 nan 8.190 nan 0.000 0.459 228 G N 0.169 109.058 108.800 0.148 0.000 2.584 228 G HA2 -0.220 3.741 3.960 0.001 0.000 0.229 228 G HA3 -0.220 3.741 3.960 0.001 0.000 0.229 228 G C -0.779 174.157 174.900 0.060 0.000 1.320 228 G CA 0.243 45.402 45.100 0.098 0.000 0.891 228 G HN 1.491 nan 8.290 nan 0.000 0.573 229 Y N -0.856 119.257 120.300 -0.312 0.000 2.401 229 Y HA 0.647 5.197 4.550 0.001 0.000 0.330 229 Y C -0.720 174.666 175.900 -0.857 0.000 1.071 229 Y CA -1.322 56.537 58.100 -0.401 0.000 1.049 229 Y CB 1.274 39.529 38.460 -0.340 0.000 1.239 229 Y HN 0.584 nan 8.280 nan 0.000 0.437 230 F N 4.219 123.502 119.950 -1.111 0.000 2.790 230 F HA 0.226 4.754 4.527 0.001 0.000 0.371 230 F C 0.594 175.606 175.800 -1.315 0.000 1.293 230 F CA -0.679 56.689 58.000 -1.052 0.000 1.205 230 F CB 0.378 39.166 39.000 -0.353 0.000 1.047 230 F HN 0.635 nan 8.300 nan 0.000 0.510 231 D N 1.126 120.221 120.400 -2.174 0.000 2.845 231 D HA -0.232 4.408 4.640 0.001 0.000 0.229 231 D C 1.509 177.534 176.300 -0.458 0.000 1.170 231 D CA 1.757 55.102 54.000 -1.091 0.000 0.717 231 D CB -0.801 39.708 40.800 -0.486 0.000 1.073 231 D HN 0.782 nan 8.370 nan 0.000 0.424 232 G N -0.990 107.563 108.800 -0.412 0.000 2.217 232 G HA2 -0.398 3.563 3.960 0.001 0.000 0.246 232 G HA3 -0.398 3.563 3.960 0.001 0.000 0.246 232 G C 1.094 175.929 174.900 -0.109 0.000 0.990 232 G CA 0.574 45.572 45.100 -0.170 0.000 0.627 232 G HN 0.546 nan 8.290 nan 0.000 0.522 233 K N 0.769 121.110 120.400 -0.098 0.000 2.360 233 K HA 0.006 4.326 4.320 0.001 0.000 0.201 233 K C 1.506 178.033 176.600 -0.122 0.000 1.046 233 K CA 1.330 57.567 56.287 -0.083 0.000 0.945 233 K CB -0.121 32.334 32.500 -0.074 0.000 0.750 233 K HN 0.594 nan 8.250 nan 0.000 0.464 234 D N 0.142 120.484 120.400 -0.097 0.000 2.340 234 D HA 0.029 4.669 4.640 0.001 0.000 0.220 234 D C 0.983 177.259 176.300 -0.040 0.000 1.039 234 D CA 0.383 54.344 54.000 -0.065 0.000 0.866 234 D CB -0.181 40.635 40.800 0.026 0.000 0.913 234 D HN 0.201 nan 8.370 nan 0.000 0.523 235 G N 0.526 109.294 108.800 -0.053 0.000 2.249 235 G HA2 -0.262 3.698 3.960 0.001 0.000 0.273 235 G HA3 -0.262 3.698 3.960 0.001 0.000 0.273 235 G C -0.194 174.684 174.900 -0.037 0.000 1.036 235 G CA 0.302 45.377 45.100 -0.043 0.000 0.824 235 G HN 0.428 nan 8.290 nan 0.000 0.504 236 L N -0.210 120.991 121.223 -0.037 0.000 2.341 236 L HA 0.436 4.777 4.340 0.001 0.000 0.278 236 L C 0.874 177.736 176.870 -0.014 0.000 1.005 236 L CA -1.119 53.702 54.840 -0.032 0.000 0.818 236 L CB 1.831 43.867 42.059 -0.038 0.000 1.259 236 L HN 0.197 nan 8.230 nan 0.000 0.418 237 K N 2.932 123.328 120.400 -0.006 0.000 2.382 237 K HA -0.055 4.266 4.320 0.001 0.000 0.286 237 K C 0.779 177.405 176.600 0.044 0.000 1.062 237 K CA -0.113 56.184 56.287 0.016 0.000 1.000 237 K CB 1.079 33.585 32.500 0.011 0.000 0.954 237 K HN 0.592 nan 8.250 nan 0.000 0.470 238 Q N 3.314 123.161 119.800 0.078 0.000 2.197 238 Q HA -0.251 4.090 4.340 0.001 0.000 0.207 238 Q C 1.100 177.202 176.000 0.170 0.000 0.984 238 Q CA 2.165 58.048 55.803 0.133 0.000 0.869 238 Q CB -0.015 28.823 28.738 0.165 0.000 0.906 238 Q HN 0.803 nan 8.270 nan 0.000 0.426 239 D N -0.928 119.542 120.400 0.117 0.000 2.277 239 D HA 0.033 4.674 4.640 0.001 0.000 0.208 239 D C -0.105 176.259 176.300 0.106 0.000 0.962 239 D CA 0.656 54.713 54.000 0.095 0.000 0.865 239 D CB 0.075 40.900 40.800 0.042 0.000 0.939 239 D HN 0.361 nan 8.370 nan 0.000 0.510 240 A N 0.632 123.510 122.820 0.097 0.000 2.332 240 A HA 0.320 4.640 4.320 0.001 0.000 0.258 240 A C 0.425 178.086 177.584 0.129 0.000 1.087 240 A CA -0.315 51.761 52.037 0.064 0.000 0.802 240 A CB 0.476 19.483 19.000 0.012 0.000 1.042 240 A HN 0.160 nan 8.150 nan 0.000 0.489 241 R N 1.361 121.892 120.500 0.052 0.000 2.287 241 R HA 0.528 4.869 4.340 0.001 0.000 0.327 241 R C -1.299 174.976 176.300 -0.042 0.000 1.109 241 R CA -0.010 56.115 56.100 0.041 0.000 1.013 241 R CB -0.319 29.976 30.300 -0.009 0.000 1.126 241 R HN 0.660 nan 8.270 nan 0.000 0.503 242 L N 4.745 125.918 121.223 -0.083 0.000 2.323 242 L HA 0.650 4.990 4.340 0.001 0.000 0.265 242 L C -0.658 176.134 176.870 -0.130 0.000 1.012 242 L CA -1.257 53.519 54.840 -0.107 0.000 0.820 242 L CB 1.961 43.952 42.059 -0.113 0.000 1.334 242 L HN 0.462 nan 8.230 nan 0.000 0.427 243 L N 1.086 122.226 121.223 -0.138 0.000 2.434 243 L HA 0.511 4.852 4.340 0.001 0.000 0.260 243 L C -0.663 176.102 176.870 -0.176 0.000 0.983 243 L CA -0.690 54.063 54.840 -0.144 0.000 0.820 243 L CB 2.823 44.790 42.059 -0.153 0.000 1.361 243 L HN 0.515 nan 8.230 nan 0.000 0.410 244 K N 0.970 121.247 120.400 -0.205 0.000 2.098 244 K HA 0.733 5.053 4.320 0.001 0.000 0.258 244 K C -1.334 175.171 176.600 -0.158 0.000 0.973 244 K CA -0.695 55.420 56.287 -0.286 0.000 0.898 244 K CB 2.271 34.373 32.500 -0.663 0.000 1.057 244 K HN 0.228 nan 8.250 nan 0.000 0.447 245 V N 4.084 123.916 119.914 -0.136 0.000 2.483 245 V HA 0.327 4.447 4.120 0.001 0.000 0.297 245 V C -0.599 175.468 176.094 -0.045 0.000 1.027 245 V CA -0.927 61.317 62.300 -0.093 0.000 0.855 245 V CB 1.505 33.243 31.823 -0.142 0.000 0.995 245 V HN 0.597 nan 8.190 nan 0.000 0.424 246 I N 3.677 124.221 120.570 -0.042 0.000 2.377 246 I HA 0.572 4.743 4.170 0.001 0.000 0.293 246 I C 0.395 176.422 176.117 -0.150 0.000 0.987 246 I CA 0.213 61.447 61.300 -0.109 0.000 1.185 246 I CB 1.920 39.834 38.000 -0.143 0.000 1.341 246 I HN 0.627 nan 8.210 nan 0.000 0.455 247 S N 6.008 121.572 115.700 -0.228 0.000 2.607 247 S HA 0.788 5.259 4.470 0.001 0.000 0.303 247 S C -1.068 173.257 174.600 -0.458 0.000 1.086 247 S CA -0.599 57.488 58.200 -0.188 0.000 0.995 247 S CB 1.990 65.230 63.200 0.067 0.000 1.084 247 S HN 0.370 nan 8.310 nan 0.000 0.507 248 Y N 0.073 120.383 120.300 0.017 0.000 2.576 248 Y HA 0.622 5.173 4.550 0.001 0.000 0.346 248 Y C -0.678 175.267 175.900 0.075 0.000 1.018 248 Y CA -1.189 56.966 58.100 0.093 0.000 1.050 248 Y CB 1.050 39.609 38.460 0.164 0.000 1.280 248 Y HN 0.473 nan 8.280 nan 0.000 0.474 249 L N 2.643 124.042 121.223 0.293 0.000 2.275 249 L HA 0.381 4.722 4.340 0.001 0.000 0.288 249 L C -0.501 176.458 176.870 0.149 0.000 1.046 249 L CA -0.404 54.534 54.840 0.164 0.000 0.805 249 L CB 0.633 42.766 42.059 0.123 0.000 1.193 249 L HN 0.584 nan 8.230 nan 0.000 0.426 250 D N 3.782 124.226 120.400 0.073 0.000 2.343 250 D HA 0.077 4.718 4.640 0.001 0.000 0.255 250 D C 0.186 176.472 176.300 -0.024 0.000 1.187 250 D CA 0.183 54.218 54.000 0.058 0.000 0.875 250 D CB 1.427 42.240 40.800 0.020 0.000 1.136 250 D HN 0.398 nan 8.370 nan 0.000 0.469 251 V N 3.243 123.097 119.914 -0.099 0.000 3.380 251 V HA 0.236 4.357 4.120 0.001 0.000 0.307 251 V C 1.599 177.646 176.094 -0.078 0.000 1.434 251 V CA 0.493 62.697 62.300 -0.159 0.000 1.075 251 V CB 0.222 31.779 31.823 -0.445 0.000 0.954 251 V HN 0.917 nan 8.190 nan 0.000 0.444 252 G N 2.071 110.854 108.800 -0.028 0.000 2.179 252 G HA2 -0.263 3.697 3.960 0.001 0.000 0.260 252 G HA3 -0.263 3.697 3.960 0.001 0.000 0.260 252 G C 0.382 175.272 174.900 -0.017 0.000 0.977 252 G CA 0.488 45.578 45.100 -0.016 0.000 0.641 252 G HN 0.702 nan 8.290 nan 0.000 0.533 253 D N -0.085 120.314 120.400 -0.002 0.000 2.325 253 D HA 0.404 5.045 4.640 0.001 0.000 0.225 253 D C 1.732 177.984 176.300 -0.081 0.000 1.096 253 D CA 0.319 54.309 54.000 -0.016 0.000 0.844 253 D CB -0.552 40.280 40.800 0.053 0.000 0.925 253 D HN 1.526 nan 8.370 nan 0.000 0.513 254 G N 0.738 109.503 108.800 -0.059 0.000 2.153 254 G HA2 -0.337 3.624 3.960 0.001 0.000 0.252 254 G HA3 -0.337 3.624 3.960 0.001 0.000 0.252 254 G C 0.125 174.962 174.900 -0.105 0.000 0.994 254 G CA 0.229 45.262 45.100 -0.112 0.000 0.698 254 G HN 0.622 nan 8.290 nan 0.000 0.521 255 N N -0.437 118.281 118.700 0.029 0.000 2.722 255 N HA 0.352 5.092 4.740 0.001 0.000 0.242 255 N C 0.887 176.493 175.510 0.160 0.000 1.398 255 N CA -0.393 52.730 53.050 0.122 0.000 0.755 255 N CB -0.062 38.530 38.487 0.175 0.000 1.268 255 N HN 0.325 nan 8.380 nan 0.000 0.522 256 Y N -0.070 120.288 120.300 0.097 0.000 2.333 256 Y HA 0.046 4.597 4.550 0.001 0.000 0.290 256 Y C 1.157 177.045 175.900 -0.020 0.000 1.144 256 Y CA 0.576 58.722 58.100 0.076 0.000 1.228 256 Y CB -0.676 37.700 38.460 -0.140 0.000 0.985 256 Y HN 0.336 nan 8.280 nan 0.000 0.542 257 W N 1.264 122.295 121.300 -0.447 0.000 2.387 257 W HA -0.062 4.598 4.660 0.001 0.000 0.272 257 W C 2.215 178.787 176.519 0.089 0.000 1.224 257 W CA 1.293 58.407 57.345 -0.385 0.000 1.210 257 W CB -0.274 28.965 29.460 -0.369 0.000 1.125 257 W HN 0.198 nan 8.180 nan 0.000 0.572 258 A N -0.668 122.268 122.820 0.194 0.000 2.302 258 A HA 0.062 4.382 4.320 0.001 0.000 0.219 258 A C 0.065 177.362 177.584 -0.478 0.000 1.243 258 A CA 0.327 52.400 52.037 0.059 0.000 0.856 258 A CB -0.663 18.239 19.000 -0.163 0.000 0.893 258 A HN 0.330 nan 8.150 nan 0.000 0.491 259 H N 0.342 119.673 119.070 0.436 0.000 2.439 259 H HA 0.224 4.780 4.556 0.001 0.000 0.228 259 H C -3.060 172.498 175.328 0.383 0.000 1.423 259 H CA -1.870 54.385 56.048 0.345 0.000 1.386 259 H CB 0.218 30.140 29.762 0.268 0.000 1.641 259 H HN 0.287 nan 8.280 nan 0.000 0.508 260 P HA 0.149 nan 4.420 nan 0.000 0.272 260 P C 0.372 177.709 177.300 0.062 0.000 1.223 260 P CA -0.198 63.010 63.100 0.180 0.000 0.784 260 P CB 1.667 33.484 31.700 0.195 0.000 0.923 261 I N 1.452 121.973 120.570 -0.082 0.000 2.412 261 I HA 0.214 4.384 4.170 0.001 0.000 0.279 261 I C 0.794 176.880 176.117 -0.051 0.000 1.063 261 I CA -0.706 60.571 61.300 -0.038 0.000 1.193 261 I CB 0.571 38.535 38.000 -0.059 0.000 1.370 261 I HN 0.248 nan 8.210 nan 0.000 0.479 262 E N 4.762 124.970 120.200 0.012 0.000 2.392 262 E HA 0.096 4.447 4.350 0.001 0.000 0.264 262 E C 0.191 176.811 176.600 0.033 0.000 1.024 262 E CA 0.604 57.034 56.400 0.049 0.000 0.903 262 E CB 0.277 30.042 29.700 0.109 0.000 0.963 262 E HN 0.526 nan 8.360 nan 0.000 0.432 263 N N 0.815 119.549 118.700 0.057 0.000 2.815 263 N HA -0.245 4.496 4.740 0.001 0.000 0.249 263 N C -1.282 174.226 175.510 -0.003 0.000 1.114 263 N CA 0.305 53.382 53.050 0.045 0.000 0.717 263 N CB -0.940 37.575 38.487 0.046 0.000 1.074 263 N HN 0.214 nan 8.380 nan 0.000 0.555 264 L N 0.424 121.628 121.223 -0.031 0.000 2.446 264 L HA 0.603 4.944 4.340 0.001 0.000 0.268 264 L C -1.287 175.570 176.870 -0.021 0.000 0.975 264 L CA -0.782 54.022 54.840 -0.060 0.000 0.848 264 L CB 1.907 43.883 42.059 -0.138 0.000 1.225 264 L HN -0.133 nan 8.230 nan 0.000 0.410 265 V N 4.329 124.242 119.914 -0.002 0.000 2.443 265 V HA 0.898 5.019 4.120 0.001 0.000 0.293 265 V C 0.209 176.310 176.094 0.011 0.000 1.021 265 V CA -0.329 61.967 62.300 -0.007 0.000 0.848 265 V CB 1.290 33.084 31.823 -0.049 0.000 0.998 265 V HN 0.917 nan 8.190 nan 0.000 0.424 266 A N 4.312 127.156 122.820 0.040 0.000 2.325 266 A HA 0.886 5.206 4.320 0.001 0.000 0.333 266 A C -0.623 176.909 177.584 -0.086 0.000 1.155 266 A CA -0.611 51.444 52.037 0.030 0.000 0.814 266 A CB 1.605 20.645 19.000 0.066 0.000 1.206 266 A HN 0.688 nan 8.150 nan 0.000 0.482 267 V N 2.734 122.593 119.914 -0.092 0.000 2.370 267 V HA 0.393 4.514 4.120 0.001 0.000 0.283 267 V C -0.345 175.682 176.094 -0.111 0.000 1.023 267 V CA -0.376 61.844 62.300 -0.133 0.000 0.857 267 V CB 1.303 33.049 31.823 -0.128 0.000 0.985 267 V HN 0.628 nan 8.190 nan 0.000 0.443 268 V N 4.052 123.891 119.914 -0.126 0.000 2.459 268 V HA 0.382 4.503 4.120 0.001 0.000 0.295 268 V C -0.143 175.891 176.094 -0.100 0.000 1.029 268 V CA -0.609 61.623 62.300 -0.112 0.000 0.874 268 V CB 1.977 33.721 31.823 -0.132 0.000 0.985 268 V HN 0.879 nan 8.190 nan 0.000 0.438 269 D N 4.320 124.672 120.400 -0.080 0.000 2.380 269 D HA 0.238 4.878 4.640 0.001 0.000 0.230 269 D C 0.923 177.182 176.300 -0.068 0.000 1.154 269 D CA -0.202 53.757 54.000 -0.067 0.000 0.859 269 D CB 1.504 42.273 40.800 -0.052 0.000 1.045 269 D HN 0.455 nan 8.370 nan 0.000 0.495 270 L N 2.863 124.043 121.223 -0.072 0.000 2.275 270 L HA -0.070 4.270 4.340 0.001 0.000 0.215 270 L C 2.139 178.972 176.870 -0.060 0.000 1.119 270 L CA 0.758 55.556 54.840 -0.070 0.000 0.790 270 L CB -0.038 41.975 42.059 -0.076 0.000 0.919 270 L HN 0.450 nan 8.230 nan 0.000 0.443 271 E N -0.485 119.680 120.200 -0.059 0.000 2.190 271 E HA -0.152 4.198 4.350 0.001 0.000 0.191 271 E C 2.030 178.605 176.600 -0.042 0.000 0.978 271 E CA 0.333 56.700 56.400 -0.054 0.000 0.839 271 E CB 0.187 29.846 29.700 -0.068 0.000 0.787 271 E HN 0.458 nan 8.360 nan 0.000 0.473 272 Q N 0.522 120.297 119.800 -0.041 0.000 2.378 272 Q HA -0.044 4.296 4.340 0.001 0.000 0.205 272 Q C -0.275 175.704 176.000 -0.036 0.000 0.954 272 Q CA 0.399 56.182 55.803 -0.034 0.000 0.901 272 Q CB 0.326 29.044 28.738 -0.033 0.000 0.981 272 Q HN 0.008 nan 8.270 nan 0.000 0.483 273 K N 0.820 121.194 120.400 -0.044 0.000 3.096 273 K HA -0.218 4.103 4.320 0.001 0.000 0.266 273 K C -0.618 175.953 176.600 -0.049 0.000 1.043 273 K CA 1.176 57.435 56.287 -0.047 0.000 0.758 273 K CB -1.637 30.841 32.500 -0.037 0.000 1.260 273 K HN 0.378 nan 8.250 nan 0.000 0.481 274 K N -1.014 119.354 120.400 -0.054 0.000 2.555 274 K HA 0.491 4.811 4.320 0.001 0.000 0.279 274 K C -0.766 175.798 176.600 -0.060 0.000 0.986 274 K CA -1.033 55.222 56.287 -0.052 0.000 0.880 274 K CB 1.299 33.777 32.500 -0.037 0.000 1.474 274 K HN 0.029 nan 8.250 nan 0.000 0.433 275 I N 3.581 124.117 120.570 -0.056 0.000 2.379 275 I HA 0.017 4.188 4.170 0.001 0.000 0.290 275 I C 1.105 177.200 176.117 -0.036 0.000 1.063 275 I CA -0.448 60.820 61.300 -0.054 0.000 1.351 275 I CB 1.461 39.442 38.000 -0.032 0.000 1.410 275 I HN 0.624 nan 8.210 nan 0.000 0.505 276 V N 2.849 122.737 119.914 -0.043 0.000 3.650 276 V HA 0.272 4.393 4.120 0.001 0.000 0.271 276 V C 0.465 176.540 176.094 -0.032 0.000 1.281 276 V CA 0.375 62.653 62.300 -0.036 0.000 1.120 276 V CB -0.595 31.204 31.823 -0.040 0.000 0.856 276 V HN 0.799 nan 8.190 nan 0.000 0.443 277 K N 0.170 120.550 120.400 -0.033 0.000 2.598 277 K HA 0.610 4.930 4.320 0.001 0.000 0.271 277 K C -2.118 174.472 176.600 -0.017 0.000 0.947 277 K CA -0.756 55.514 56.287 -0.028 0.000 0.854 277 K CB 2.529 35.003 32.500 -0.043 0.000 1.401 277 K HN 0.176 nan 8.250 nan 0.000 0.415 278 I N 3.324 123.891 120.570 -0.005 0.000 2.468 278 I HA 0.254 4.424 4.170 0.001 0.000 0.285 278 I C -0.770 175.342 176.117 -0.008 0.000 1.039 278 I CA -0.704 60.602 61.300 0.011 0.000 1.074 278 I CB 2.070 40.087 38.000 0.029 0.000 1.228 278 I HN 0.582 nan 8.210 nan 0.000 0.436 279 E N 6.196 126.389 120.200 -0.011 0.000 2.175 279 E HA 0.485 4.835 4.350 0.001 0.000 0.278 279 E C -0.950 175.646 176.600 -0.008 0.000 0.969 279 E CA -0.650 55.748 56.400 -0.004 0.000 0.796 279 E CB 2.188 31.895 29.700 0.011 0.000 1.104 279 E HN 0.496 nan 8.360 nan 0.000 0.395 280 E N 1.105 121.300 120.200 -0.009 0.000 2.266 280 E HA 0.542 4.893 4.350 0.001 0.000 0.268 280 E C -0.460 176.139 176.600 -0.001 0.000 0.879 280 E CA -0.764 55.624 56.400 -0.020 0.000 0.762 280 E CB 2.316 31.993 29.700 -0.038 0.000 1.199 280 E HN 0.579 nan 8.360 nan 0.000 0.422 281 G N 1.558 110.360 108.800 0.004 0.000 3.251 281 G HA2 0.553 4.514 3.960 0.001 0.000 0.248 281 G HA3 0.553 4.514 3.960 0.001 0.000 0.248 281 G C -2.680 172.226 174.900 0.010 0.000 1.320 281 G CA -1.232 43.879 45.100 0.019 0.000 0.982 281 G HN 0.260 nan 8.290 nan 0.000 0.575 282 P HA 0.236 nan 4.420 nan 0.000 0.266 282 P C -0.125 177.182 177.300 0.011 0.000 1.195 282 P CA -0.306 62.802 63.100 0.013 0.000 0.768 282 P CB 0.867 32.580 31.700 0.021 0.000 0.838 283 V N 4.166 124.081 119.914 0.003 0.000 2.508 283 V HA 0.081 4.201 4.120 0.001 0.000 0.281 283 V C 0.424 176.526 176.094 0.012 0.000 1.041 283 V CA 0.140 62.440 62.300 -0.000 0.000 1.016 283 V CB 0.929 32.747 31.823 -0.008 0.000 0.984 283 V HN 0.228 nan 8.190 nan 0.000 0.478 284 V N 7.492 127.417 119.914 0.019 0.000 2.444 284 V HA 0.361 4.481 4.120 0.001 0.000 0.294 284 V C -2.261 173.855 176.094 0.036 0.000 1.022 284 V CA -1.953 60.366 62.300 0.032 0.000 0.850 284 V CB 1.704 33.554 31.823 0.046 0.000 0.992 284 V HN 0.764 nan 8.190 nan 0.000 0.426 285 P HA 0.068 nan 4.420 nan 0.000 0.262 285 P C -0.277 177.065 177.300 0.070 0.000 1.182 285 P CA 0.031 63.159 63.100 0.046 0.000 0.761 285 P CB 0.328 32.054 31.700 0.043 0.000 0.795 286 V N 6.490 126.452 119.914 0.081 0.000 2.529 286 V HA 0.074 4.195 4.120 0.001 0.000 0.292 286 V C -1.833 174.358 176.094 0.161 0.000 1.028 286 V CA -1.182 61.192 62.300 0.124 0.000 1.074 286 V CB -0.133 31.767 31.823 0.128 0.000 0.958 286 V HN 0.554 nan 8.190 nan 0.000 0.481 287 P HA 0.172 nan 4.420 nan 0.000 0.266 287 P C 0.405 177.925 177.300 0.367 0.000 1.215 287 P CA 0.094 63.333 63.100 0.231 0.000 0.763 287 P CB 0.464 32.287 31.700 0.205 0.000 0.806 288 M N 0.069 119.842 119.600 0.288 0.000 2.421 288 M HA 0.062 4.543 4.480 0.001 0.000 0.258 288 M C 0.375 176.827 176.300 0.253 0.000 1.122 288 M CA 0.548 55.988 55.300 0.234 0.000 1.078 288 M CB -0.925 31.743 32.600 0.114 0.000 1.380 288 M HN 0.150 nan 8.290 nan 0.000 0.499 289 T N 2.706 117.425 114.554 0.275 0.000 2.891 289 T HA 0.187 4.538 4.350 0.001 0.000 0.296 289 T C 0.516 175.409 174.700 0.323 0.000 1.025 289 T CA -0.063 62.185 62.100 0.248 0.000 1.149 289 T CB 0.307 69.312 68.868 0.230 0.000 1.007 289 T HN 0.371 nan 8.240 nan 0.000 0.528 290 A N 4.628 127.571 122.820 0.205 0.000 2.524 290 A HA 0.310 4.631 4.320 0.001 0.000 0.250 290 A C 0.818 178.505 177.584 0.171 0.000 1.078 290 A CA -0.152 51.995 52.037 0.183 0.000 0.761 290 A CB 0.150 19.200 19.000 0.084 0.000 1.012 290 A HN 0.740 nan 8.150 nan 0.000 0.500 291 R N 3.182 123.786 120.500 0.172 0.000 2.653 291 R HA 0.236 4.577 4.340 0.001 0.000 0.269 291 R C -3.043 173.233 176.300 -0.039 0.000 1.603 291 R CA -1.406 54.724 56.100 0.049 0.000 1.671 291 R CB 1.103 31.426 30.300 0.039 0.000 1.300 291 R HN 0.537 nan 8.270 nan 0.000 0.668 292 P HA 0.066 nan 4.420 nan 0.000 0.271 292 P C 0.095 177.283 177.300 -0.187 0.000 1.218 292 P CA -0.065 62.910 63.100 -0.208 0.000 0.780 292 P CB 0.308 31.895 31.700 -0.188 0.000 0.901 293 F N -0.426 119.451 119.950 -0.122 0.000 2.706 293 F HA 0.251 4.779 4.527 0.001 0.000 0.313 293 F C 0.973 176.717 175.800 -0.094 0.000 1.096 293 F CA -0.485 57.429 58.000 -0.143 0.000 1.219 293 F CB -0.681 38.205 39.000 -0.189 0.000 1.051 293 F HN 0.099 nan 8.300 nan 0.000 0.568 294 D N 0.195 120.415 120.400 -0.300 0.000 2.328 294 D HA 0.193 4.833 4.640 0.001 0.000 0.226 294 D C 1.885 178.147 176.300 -0.063 0.000 1.066 294 D CA 0.604 54.524 54.000 -0.133 0.000 0.861 294 D CB -0.042 40.610 40.800 -0.247 0.000 0.912 294 D HN 0.464 nan 8.370 nan 0.000 0.521 295 G N 1.767 110.535 108.800 -0.053 0.000 2.199 295 G HA2 -0.450 3.511 3.960 0.001 0.000 0.254 295 G HA3 -0.450 3.511 3.960 0.001 0.000 0.254 295 G C 1.295 176.170 174.900 -0.041 0.000 0.982 295 G CA 0.496 45.576 45.100 -0.032 0.000 0.632 295 G HN 0.574 nan 8.290 nan 0.000 0.529 296 R N 0.776 121.236 120.500 -0.065 0.000 2.139 296 R HA -0.124 4.217 4.340 0.001 0.000 0.243 296 R C 1.521 177.800 176.300 -0.035 0.000 1.145 296 R CA 2.136 58.205 56.100 -0.053 0.000 0.976 296 R CB -0.584 29.675 30.300 -0.068 0.000 0.866 296 R HN 0.481 nan 8.270 nan 0.000 0.449 297 D N -0.040 120.341 120.400 -0.033 0.000 2.368 297 D HA 0.070 4.711 4.640 0.001 0.000 0.218 297 D C -0.085 176.209 176.300 -0.009 0.000 1.112 297 D CA -0.239 53.751 54.000 -0.017 0.000 0.834 297 D CB 0.186 40.977 40.800 -0.015 0.000 0.953 297 D HN 0.054 nan 8.370 nan 0.000 0.505 298 R N 0.040 120.534 120.500 -0.011 0.000 2.832 298 R HA 0.541 4.882 4.340 0.001 0.000 0.271 298 R C -0.446 175.852 176.300 -0.003 0.000 0.996 298 R CA -1.060 55.038 56.100 -0.005 0.000 0.977 298 R CB 1.749 32.046 30.300 -0.005 0.000 1.168 298 R HN -0.117 nan 8.270 nan 0.000 0.482 299 V N 1.451 121.366 119.914 0.001 0.000 2.583 299 V HA 0.267 4.388 4.120 0.001 0.000 0.287 299 V C 0.436 176.532 176.094 0.002 0.000 1.051 299 V CA -0.587 61.715 62.300 0.002 0.000 1.010 299 V CB 1.361 33.187 31.823 0.005 0.000 0.988 299 V HN 0.845 nan 8.190 nan 0.000 0.478 300 A N 7.834 130.655 122.820 0.002 0.000 2.350 300 A HA 0.628 4.949 4.320 0.001 0.000 0.293 300 A C -1.364 176.222 177.584 0.004 0.000 1.231 300 A CA -1.079 50.960 52.037 0.002 0.000 0.883 300 A CB -0.392 18.610 19.000 0.002 0.000 1.133 300 A HN 0.762 nan 8.150 nan 0.000 0.533 301 P HA 0.402 nan 4.420 nan 0.000 0.272 301 P C -0.307 176.996 177.300 0.005 0.000 1.254 301 P CA -0.190 62.913 63.100 0.005 0.000 0.795 301 P CB 0.652 32.355 31.700 0.005 0.000 1.022 302 A N 0.179 123.002 122.820 0.005 0.000 2.304 302 A HA 0.632 4.952 4.320 0.001 0.000 0.323 302 A C -0.726 176.860 177.584 0.005 0.000 1.195 302 A CA -0.523 51.517 52.037 0.005 0.000 0.826 302 A CB 0.859 19.861 19.000 0.005 0.000 1.184 302 A HN 0.299 nan 8.150 nan 0.000 0.496 303 V N 2.396 122.313 119.914 0.005 0.000 2.932 303 V HA 0.337 4.458 4.120 0.001 0.000 0.307 303 V C -0.271 175.826 176.094 0.004 0.000 1.147 303 V CA -0.961 61.341 62.300 0.004 0.000 0.951 303 V CB 2.232 34.058 31.823 0.004 0.000 1.031 303 V HN 0.967 nan 8.190 nan 0.000 0.426 304 K N 3.193 123.595 120.400 0.003 0.000 2.154 304 K HA 0.503 4.824 4.320 0.001 0.000 0.264 304 K C -2.306 174.297 176.600 0.005 0.000 1.008 304 K CA -1.372 54.917 56.287 0.003 0.000 0.937 304 K CB 0.765 33.264 32.500 -0.001 0.000 1.002 304 K HN 0.479 nan 8.250 nan 0.000 0.469 305 P HA 0.045 nan 4.420 nan 0.000 0.269 305 P C -1.007 176.299 177.300 0.010 0.000 1.209 305 P CA 0.018 63.125 63.100 0.012 0.000 0.776 305 P CB 0.564 32.275 31.700 0.018 0.000 0.876 306 M N 2.024 121.631 119.600 0.011 0.000 2.224 306 M HA 0.261 4.742 4.480 0.001 0.000 0.281 306 M C -1.472 174.838 176.300 0.015 0.000 1.025 306 M CA -0.218 55.087 55.300 0.008 0.000 0.954 306 M CB 1.836 34.437 32.600 0.001 0.000 1.639 306 M HN 0.295 nan 8.290 nan 0.000 0.461 307 Q N 4.347 124.161 119.800 0.024 0.000 2.375 307 Q HA 0.651 4.991 4.340 0.001 0.000 0.271 307 Q C -1.326 174.695 176.000 0.035 0.000 1.074 307 Q CA -0.732 55.094 55.803 0.039 0.000 0.808 307 Q CB 3.330 32.110 28.738 0.071 0.000 1.327 307 Q HN 0.711 nan 8.270 nan 0.000 0.441 308 I N 3.962 124.554 120.570 0.038 0.000 2.339 308 I HA 0.439 4.610 4.170 0.001 0.000 0.290 308 I C -0.307 175.844 176.117 0.057 0.000 0.994 308 I CA -0.688 60.633 61.300 0.035 0.000 1.191 308 I CB 0.746 38.765 38.000 0.031 0.000 1.343 308 I HN 0.511 nan 8.210 nan 0.000 0.458 309 I N 2.470 123.059 120.570 0.032 0.000 2.740 309 I HA 0.608 4.779 4.170 0.001 0.000 0.303 309 I C -0.838 175.230 176.117 -0.082 0.000 1.044 309 I CA -0.617 60.686 61.300 0.005 0.000 1.064 309 I CB 2.246 40.240 38.000 -0.010 0.000 1.249 309 I HN 0.510 nan 8.210 nan 0.000 0.433 310 E N 5.049 125.172 120.200 -0.128 0.000 2.873 310 E HA 0.253 4.604 4.350 0.001 0.000 0.232 310 E C -2.112 174.324 176.600 -0.274 0.000 1.123 310 E CA -1.520 54.802 56.400 -0.130 0.000 0.809 310 E CB 1.288 30.974 29.700 -0.023 0.000 1.366 310 E HN 0.541 nan 8.360 nan 0.000 0.400 311 P HA -0.176 nan 4.420 nan 0.000 0.221 311 P C 0.333 177.509 177.300 -0.207 0.000 1.145 311 P CA 1.182 63.852 63.100 -0.717 0.000 0.795 311 P CB 0.354 31.579 31.700 -0.792 0.000 0.775 312 E N -0.536 119.596 120.200 -0.114 0.000 2.501 312 E HA 0.385 4.735 4.350 0.001 0.000 0.200 312 E C 0.813 177.402 176.600 -0.019 0.000 1.016 312 E CA -0.016 56.362 56.400 -0.036 0.000 0.921 312 E CB 0.191 29.870 29.700 -0.034 0.000 1.034 312 E HN 0.192 nan 8.360 nan 0.000 0.468 313 G N 1.528 110.318 108.800 -0.017 0.000 2.631 313 G HA2 -0.169 3.791 3.960 0.001 0.000 0.504 313 G HA3 -0.169 3.791 3.960 0.001 0.000 0.504 313 G C -0.863 173.988 174.900 -0.080 0.000 1.306 313 G CA -1.005 44.082 45.100 -0.021 0.000 0.897 313 G HN -0.054 nan 8.290 nan 0.000 0.520 314 K N -0.026 120.266 120.400 -0.180 0.000 2.090 314 K HA 0.399 4.720 4.320 0.001 0.000 0.249 314 K C 1.134 177.566 176.600 -0.279 0.000 0.995 314 K CA -0.592 55.477 56.287 -0.363 0.000 0.914 314 K CB 0.705 32.621 32.500 -0.973 0.000 1.057 314 K HN 0.547 nan 8.250 nan 0.000 0.462 315 N N -0.325 118.279 118.700 -0.160 0.000 2.422 315 N HA -0.014 4.726 4.740 0.001 0.000 0.181 315 N C -0.431 175.174 175.510 0.158 0.000 1.080 315 N CA 0.203 53.286 53.050 0.054 0.000 0.893 315 N CB 0.017 38.632 38.487 0.213 0.000 0.973 315 N HN 0.482 nan 8.380 nan 0.000 0.456 316 Y N -1.634 118.811 120.300 0.241 0.000 2.534 316 Y HA 0.733 5.283 4.550 0.001 0.000 0.329 316 Y C -0.067 175.855 175.900 0.036 0.000 1.154 316 Y CA -1.112 57.096 58.100 0.180 0.000 1.192 316 Y CB 0.653 39.188 38.460 0.125 0.000 1.275 316 Y HN -0.352 nan 8.280 nan 0.000 0.491 317 T N 2.734 117.412 114.554 0.206 0.000 2.876 317 T HA 0.563 4.913 4.350 0.001 0.000 0.289 317 T C -0.810 173.886 174.700 -0.007 0.000 1.014 317 T CA -0.647 61.490 62.100 0.061 0.000 0.986 317 T CB 0.954 69.883 68.868 0.103 0.000 1.021 317 T HN 0.582 nan 8.240 nan 0.000 0.458 318 I N 2.947 123.422 120.570 -0.158 0.000 2.390 318 I HA 0.294 4.464 4.170 0.001 0.000 0.283 318 I C -0.074 175.997 176.117 -0.077 0.000 1.016 318 I CA -0.566 60.603 61.300 -0.218 0.000 1.151 318 I CB 1.296 39.006 38.000 -0.484 0.000 1.293 318 I HN 0.489 nan 8.210 nan 0.000 0.458 319 T N 5.088 119.623 114.554 -0.032 0.000 2.801 319 T HA 0.541 4.892 4.350 0.001 0.000 0.306 319 T C 0.786 175.505 174.700 0.031 0.000 1.020 319 T CA 0.240 62.359 62.100 0.033 0.000 0.948 319 T CB 1.438 70.327 68.868 0.036 0.000 0.962 319 T HN 1.025 nan 8.240 nan 0.000 0.465 320 G N 4.117 112.955 108.800 0.064 0.000 2.565 320 G HA2 -0.265 3.695 3.960 0.001 0.000 0.295 320 G HA3 -0.265 3.695 3.960 0.001 0.000 0.295 320 G C 0.240 175.121 174.900 -0.033 0.000 1.165 320 G CA 0.362 45.487 45.100 0.042 0.000 0.977 320 G HN 0.646 nan 8.290 nan 0.000 0.546 321 D N 1.037 121.345 120.400 -0.153 0.000 2.431 321 D HA 0.228 4.868 4.640 0.001 0.000 0.213 321 D C 0.897 176.899 176.300 -0.497 0.000 1.130 321 D CA -0.004 53.776 54.000 -0.368 0.000 0.834 321 D CB 0.191 40.617 40.800 -0.623 0.000 0.985 321 D HN 0.237 nan 8.370 nan 0.000 0.504 322 M N 1.233 120.662 119.600 -0.285 0.000 2.180 322 M HA 0.345 4.825 4.480 0.001 0.000 0.358 322 M C 0.019 176.136 176.300 -0.305 0.000 1.233 322 M CA -0.152 55.002 55.300 -0.243 0.000 1.114 322 M CB 1.749 34.342 32.600 -0.011 0.000 1.594 322 M HN -0.227 nan 8.290 nan 0.000 0.467 323 I N 2.592 122.830 120.570 -0.554 0.000 2.404 323 I HA 0.246 4.417 4.170 0.001 0.000 0.293 323 I C -0.431 175.474 176.117 -0.354 0.000 0.992 323 I CA -0.660 60.286 61.300 -0.589 0.000 1.149 323 I CB 1.569 38.935 38.000 -1.057 0.000 1.315 323 I HN 0.618 nan 8.210 nan 0.000 0.446 324 H N 5.530 124.514 119.070 -0.143 0.000 2.489 324 H HA 0.493 5.050 4.556 0.001 0.000 0.343 324 H C -1.990 173.457 175.328 0.199 0.000 1.086 324 H CA -0.726 55.332 56.048 0.017 0.000 1.198 324 H CB 1.364 31.139 29.762 0.021 0.000 1.490 324 H HN 0.592 nan 8.280 nan 0.000 0.504 325 W N 8.298 129.272 121.300 -0.544 0.000 3.089 325 W HA 0.400 5.060 4.660 0.001 0.000 0.333 325 W C -0.437 175.942 176.519 -0.234 0.000 1.053 325 W CA -0.593 56.573 57.345 -0.297 0.000 1.257 325 W CB 0.663 30.110 29.460 -0.022 0.000 1.281 325 W HN 1.036 nan 8.180 nan 0.000 0.427 326 R N 2.447 122.473 120.500 -0.790 0.000 3.657 326 R HA -0.402 3.939 4.340 0.001 0.000 0.533 326 R C 0.745 176.765 176.300 -0.467 0.000 0.241 326 R CA 2.282 57.976 56.100 -0.677 0.000 1.659 326 R CB -0.994 28.713 30.300 -0.988 0.000 0.920 326 R HN 0.743 nan 8.270 nan 0.000 0.599 327 N N -0.549 117.839 118.700 -0.519 0.000 2.521 327 N HA 0.015 4.756 4.740 0.001 0.000 0.188 327 N C -0.366 174.798 175.510 -0.576 0.000 1.146 327 N CA 0.142 52.806 53.050 -0.642 0.000 0.893 327 N CB 0.067 37.855 38.487 -1.164 0.000 0.975 327 N HN 0.173 nan 8.380 nan 0.000 0.451 328 W N 0.984 122.172 121.300 -0.188 0.000 2.516 328 W HA 0.388 5.049 4.660 0.001 0.000 0.343 328 W C -0.214 176.383 176.519 0.130 0.000 1.094 328 W CA -0.682 56.703 57.345 0.066 0.000 1.250 328 W CB 1.048 30.658 29.460 0.249 0.000 1.308 328 W HN -0.171 nan 8.180 nan 0.000 0.588 329 D N 2.386 123.104 120.400 0.529 0.000 2.896 329 D HA 0.446 5.087 4.640 0.001 0.000 0.241 329 D C -1.110 175.457 176.300 0.445 0.000 1.188 329 D CA -0.321 53.907 54.000 0.380 0.000 0.879 329 D CB 2.252 43.243 40.800 0.318 0.000 1.553 329 D HN 0.240 nan 8.370 nan 0.000 0.515 330 F N -1.109 118.884 119.950 0.071 0.000 2.741 330 F HA 0.395 4.922 4.527 0.001 0.000 0.311 330 F C -1.481 174.292 175.800 -0.045 0.000 1.149 330 F CA -1.019 56.985 58.000 0.006 0.000 0.930 330 F CB 1.617 40.547 39.000 -0.117 0.000 1.312 330 F HN 0.194 nan 8.300 nan 0.000 0.450 331 H N 1.948 121.003 119.070 -0.026 0.000 2.469 331 H HA 0.730 5.286 4.556 0.001 0.000 0.342 331 H C -1.992 173.247 175.328 -0.148 0.000 1.115 331 H CA -0.796 55.100 56.048 -0.254 0.000 1.204 331 H CB 2.192 31.662 29.762 -0.487 0.000 1.492 331 H HN 0.857 nan 8.280 nan 0.000 0.499 332 L N 4.617 125.534 121.223 -0.510 0.000 2.372 332 L HA 0.372 4.713 4.340 0.001 0.000 0.274 332 L C -1.082 175.570 176.870 -0.363 0.000 0.988 332 L CA -0.164 54.502 54.840 -0.290 0.000 0.833 332 L CB 1.388 43.336 42.059 -0.185 0.000 1.236 332 L HN 0.693 nan 8.230 nan 0.000 0.410 333 S N 3.920 119.484 115.700 -0.225 0.000 2.661 333 S HA 0.851 5.321 4.470 0.001 0.000 0.285 333 S C -0.772 173.711 174.600 -0.194 0.000 1.138 333 S CA -0.908 57.190 58.200 -0.170 0.000 0.855 333 S CB 1.723 64.896 63.200 -0.044 0.000 1.136 333 S HN 0.635 nan 8.310 nan 0.000 0.484 334 M N 2.583 122.088 119.600 -0.159 0.000 2.436 334 M HA 0.517 4.997 4.480 0.001 0.000 0.331 334 M C -1.045 175.169 176.300 -0.143 0.000 1.135 334 M CA -0.626 54.560 55.300 -0.189 0.000 0.987 334 M CB 1.556 34.074 32.600 -0.135 0.000 1.687 334 M HN 0.875 nan 8.290 nan 0.000 0.445 335 N N 1.348 119.944 118.700 -0.173 0.000 2.296 335 N HA 0.237 4.977 4.740 0.001 0.000 0.294 335 N C 0.081 175.555 175.510 -0.060 0.000 1.033 335 N CA 0.165 53.158 53.050 -0.095 0.000 0.839 335 N CB 1.671 40.104 38.487 -0.089 0.000 1.395 335 N HN 0.855 nan 8.380 nan 0.000 0.479 336 S N 3.246 118.943 115.700 -0.004 0.000 2.440 336 S HA -0.149 4.322 4.470 0.001 0.000 0.238 336 S C 1.639 176.277 174.600 0.063 0.000 1.010 336 S CA 0.763 58.987 58.200 0.041 0.000 0.972 336 S CB 0.002 63.236 63.200 0.056 0.000 0.774 336 S HN 0.724 nan 8.310 nan 0.000 0.501 337 R N 0.759 121.279 120.500 0.033 0.000 2.062 337 R HA 0.100 4.440 4.340 0.001 0.000 0.218 337 R C 2.189 178.525 176.300 0.060 0.000 1.161 337 R CA 1.417 57.534 56.100 0.030 0.000 0.994 337 R CB -0.169 30.099 30.300 -0.053 0.000 0.888 337 R HN 0.465 nan 8.270 nan 0.000 0.442 338 V N -1.719 118.210 119.914 0.025 0.000 3.650 338 V HA 0.412 4.532 4.120 0.001 0.000 0.271 338 V C 0.852 176.789 176.094 -0.261 0.000 1.281 338 V CA 0.531 62.823 62.300 -0.012 0.000 1.120 338 V CB -0.150 31.691 31.823 0.031 0.000 0.856 338 V HN 0.660 nan 8.190 nan 0.000 0.443 339 G N 1.229 109.795 108.800 -0.389 0.000 2.488 339 G HA2 -0.165 3.796 3.960 0.001 0.000 0.237 339 G HA3 -0.165 3.796 3.960 0.001 0.000 0.237 339 G C -2.668 171.729 174.900 -0.837 0.000 1.209 339 G CA -0.209 44.268 45.100 -1.038 0.000 0.929 339 G HN 0.607 nan 8.290 nan 0.000 0.578 340 P HA 0.435 nan 4.420 nan 0.000 0.271 340 P C -0.521 176.442 177.300 -0.560 0.000 1.218 340 P CA 0.316 63.022 63.100 -0.658 0.000 0.780 340 P CB 0.731 32.065 31.700 -0.611 0.000 0.901 341 M N 2.829 122.159 119.600 -0.450 0.000 2.259 341 M HA 0.377 4.858 4.480 0.001 0.000 0.304 341 M C -0.492 175.573 176.300 -0.393 0.000 1.019 341 M CA -0.796 54.253 55.300 -0.419 0.000 0.922 341 M CB 1.958 34.388 32.600 -0.284 0.000 1.600 341 M HN 0.118 nan 8.290 nan 0.000 0.433 342 I N 2.642 122.915 120.570 -0.495 0.000 2.312 342 I HA 0.436 4.606 4.170 0.001 0.000 0.290 342 I C -0.124 175.846 176.117 -0.245 0.000 1.008 342 I CA -0.010 61.086 61.300 -0.340 0.000 1.226 342 I CB 0.714 38.426 38.000 -0.480 0.000 1.371 342 I HN 0.617 nan 8.210 nan 0.000 0.468 343 S N 2.918 118.533 115.700 -0.142 0.000 2.671 343 S HA 0.510 4.980 4.470 0.001 0.000 0.299 343 S C 0.120 174.596 174.600 -0.207 0.000 1.116 343 S CA -0.579 57.444 58.200 -0.296 0.000 0.912 343 S CB 1.813 64.744 63.200 -0.448 0.000 1.130 343 S HN 0.801 nan 8.310 nan 0.000 0.501 344 T N -1.626 112.633 114.554 -0.493 0.000 3.549 344 T HA -0.157 4.194 4.350 0.001 0.000 0.398 344 T C -0.122 174.690 174.700 0.186 0.000 0.766 344 T CA 0.090 61.938 62.100 -0.420 0.000 2.007 344 T CB -2.551 66.141 68.868 -0.293 0.000 1.727 344 T HN 0.480 nan 8.240 nan 0.000 0.693 345 V N 2.667 122.772 119.914 0.319 0.000 2.427 345 V HA 0.585 4.705 4.120 0.001 0.000 0.268 345 V C 1.233 177.692 176.094 0.609 0.000 1.046 345 V CA 0.261 62.842 62.300 0.469 0.000 0.970 345 V CB 0.715 32.761 31.823 0.371 0.000 1.001 345 V HN 1.006 nan 8.190 nan 0.000 0.476 346 T N 2.166 117.080 114.554 0.599 0.000 2.916 346 T HA 0.664 5.015 4.350 0.001 0.000 0.292 346 T C -1.153 173.815 174.700 0.446 0.000 1.064 346 T CA -0.782 61.616 62.100 0.497 0.000 1.011 346 T CB 1.958 71.066 68.868 0.399 0.000 1.152 346 T HN 0.384 nan 8.240 nan 0.000 0.510 347 Y N 1.753 122.159 120.300 0.177 0.000 2.338 347 Y HA 0.501 5.052 4.550 0.001 0.000 0.333 347 Y C -0.221 175.727 175.900 0.080 0.000 0.968 347 Y CA -1.032 57.048 58.100 -0.033 0.000 1.123 347 Y CB 1.462 39.857 38.460 -0.107 0.000 1.165 347 Y HN 0.899 nan 8.280 nan 0.000 0.452 348 N N 4.380 122.979 118.700 -0.169 0.000 2.405 348 N HA 0.051 4.792 4.740 0.001 0.000 0.260 348 N C -1.479 174.083 175.510 0.087 0.000 1.152 348 N CA 0.141 53.178 53.050 -0.023 0.000 0.948 348 N CB 0.403 38.852 38.487 -0.063 0.000 1.111 348 N HN 0.563 nan 8.380 nan 0.000 0.485 349 D N 3.294 123.831 120.400 0.228 0.000 2.414 349 D HA 0.203 4.844 4.640 0.001 0.000 0.232 349 D C -0.602 175.777 176.300 0.132 0.000 1.070 349 D CA -0.275 53.895 54.000 0.284 0.000 0.839 349 D CB -0.362 40.638 40.800 0.334 0.000 1.079 349 D HN 0.736 nan 8.370 nan 0.000 0.521 350 N N 3.193 121.946 118.700 0.088 0.000 2.700 350 N HA -0.274 4.467 4.740 0.001 0.000 0.265 350 N C 0.936 176.464 175.510 0.030 0.000 0.975 350 N CA 0.530 53.606 53.050 0.043 0.000 0.800 350 N CB -0.595 37.916 38.487 0.040 0.000 0.908 350 N HN 0.765 nan 8.380 nan 0.000 0.551 351 G N -1.748 107.067 108.800 0.025 0.000 2.284 351 G HA2 -0.294 3.667 3.960 0.001 0.000 0.230 351 G HA3 -0.294 3.667 3.960 0.001 0.000 0.230 351 G C 0.165 175.079 174.900 0.025 0.000 1.021 351 G CA 0.386 45.495 45.100 0.016 0.000 0.619 351 G HN 0.424 nan 8.290 nan 0.000 0.510 352 T N 2.370 116.949 114.554 0.041 0.000 2.771 352 T HA 0.529 4.880 4.350 0.001 0.000 0.281 352 T C -0.006 174.738 174.700 0.072 0.000 0.982 352 T CA -0.481 61.642 62.100 0.040 0.000 0.978 352 T CB 1.671 70.553 68.868 0.023 0.000 0.930 352 T HN 0.267 nan 8.240 nan 0.000 0.447 353 K N 3.871 124.312 120.400 0.068 0.000 2.338 353 K HA 0.214 4.535 4.320 0.001 0.000 0.290 353 K C 0.190 176.851 176.600 0.102 0.000 1.069 353 K CA -0.089 56.262 56.287 0.107 0.000 0.941 353 K CB 0.672 33.240 32.500 0.114 0.000 1.023 353 K HN 0.367 nan 8.250 nan 0.000 0.477 354 R N 2.855 123.455 120.500 0.166 0.000 2.312 354 R HA 0.192 4.533 4.340 0.001 0.000 0.311 354 R C -0.144 176.264 176.300 0.180 0.000 1.004 354 R CA -0.720 55.465 56.100 0.142 0.000 0.902 354 R CB 1.298 31.718 30.300 0.199 0.000 1.073 354 R HN 0.327 nan 8.270 nan 0.000 0.457 355 K N 1.104 121.504 120.400 -0.000 0.000 2.414 355 K HA 0.019 4.339 4.320 0.001 0.000 0.272 355 K C 0.366 177.071 176.600 0.176 0.000 0.993 355 K CA -0.068 56.195 56.287 -0.041 0.000 0.964 355 K CB 0.880 33.142 32.500 -0.397 0.000 0.925 355 K HN 0.327 nan 8.250 nan 0.000 0.487 356 V N 1.716 121.784 119.914 0.257 0.000 3.103 356 V HA 0.145 4.265 4.120 0.001 0.000 0.229 356 V C -0.149 175.996 176.094 0.085 0.000 1.304 356 V CA 0.050 62.396 62.300 0.077 0.000 1.298 356 V CB 0.490 32.352 31.823 0.066 0.000 1.093 356 V HN 0.767 nan 8.190 nan 0.000 0.489 357 M N -1.211 118.549 119.600 0.266 0.000 2.238 357 M HA 0.354 4.835 4.480 0.001 0.000 0.278 357 M C -0.129 176.355 176.300 0.307 0.000 1.040 357 M CA -0.576 54.855 55.300 0.218 0.000 0.969 357 M CB 2.122 34.770 32.600 0.080 0.000 1.694 357 M HN 0.266 nan 8.290 nan 0.000 0.472 358 Y N 3.498 123.913 120.300 0.192 0.000 2.184 358 Y HA 0.180 4.730 4.550 0.001 0.000 0.290 358 Y C 0.160 175.941 175.900 -0.199 0.000 1.129 358 Y CA 1.962 60.016 58.100 -0.077 0.000 1.144 358 Y CB 0.490 38.923 38.460 -0.046 0.000 0.995 358 Y HN 0.714 nan 8.280 nan 0.000 0.513 359 E N -0.386 119.655 120.200 -0.265 0.000 2.354 359 E HA 0.478 4.829 4.350 0.001 0.000 0.283 359 E C -1.501 174.994 176.600 -0.175 0.000 0.938 359 E CA -0.454 55.745 56.400 -0.334 0.000 0.777 359 E CB 1.446 30.893 29.700 -0.422 0.000 1.222 359 E HN 0.286 nan 8.360 nan 0.000 0.423 360 G N 1.468 110.133 108.800 -0.224 0.000 2.701 360 G HA2 0.644 4.605 3.960 0.001 0.000 0.300 360 G HA3 0.644 4.605 3.960 0.001 0.000 0.300 360 G C -1.076 173.621 174.900 -0.338 0.000 1.410 360 G CA -0.015 44.992 45.100 -0.156 0.000 1.014 360 G HN 0.708 nan 8.290 nan 0.000 0.509 361 S N 0.743 116.411 115.700 -0.053 0.000 2.656 361 S HA 0.608 5.078 4.470 0.001 0.000 0.265 361 S C -1.277 173.557 174.600 0.391 0.000 1.132 361 S CA -0.793 57.384 58.200 -0.039 0.000 0.819 361 S CB 0.981 64.081 63.200 -0.167 0.000 1.119 361 S HN 1.615 nan 8.310 nan 0.000 0.476 362 L N 1.862 123.275 121.223 0.317 0.000 2.461 362 L HA 0.689 5.029 4.340 0.001 0.000 0.272 362 L C 1.228 178.144 176.870 0.076 0.000 1.197 362 L CA 1.240 56.199 54.840 0.198 0.000 0.836 362 L CB 0.406 42.438 42.059 -0.046 0.000 1.105 362 L HN 1.014 nan 8.230 nan 0.000 0.477 363 G N 2.427 111.240 108.800 0.022 0.000 2.508 363 G HA2 0.493 4.453 3.960 0.001 0.000 0.212 363 G HA3 0.493 4.453 3.960 0.001 0.000 0.212 363 G C 0.337 175.287 174.900 0.084 0.000 1.206 363 G CA 0.464 45.618 45.100 0.089 0.000 0.822 363 G HN 1.138 nan 8.290 nan 0.000 0.550 364 G N -1.213 107.553 108.800 -0.056 0.000 2.441 364 G HA2 0.569 4.530 3.960 0.001 0.000 0.294 364 G HA3 0.569 4.530 3.960 0.001 0.000 0.294 364 G C -1.136 173.716 174.900 -0.079 0.000 1.393 364 G CA -0.263 44.786 45.100 -0.085 0.000 0.796 364 G HN 0.893 nan 8.290 nan 0.000 0.494 365 M N -0.891 118.715 119.600 0.010 0.000 2.644 365 M HA 0.866 5.346 4.480 0.001 0.000 0.273 365 M C -1.915 174.494 176.300 0.182 0.000 1.253 365 M CA -1.035 54.316 55.300 0.085 0.000 0.852 365 M CB 2.621 35.208 32.600 -0.023 0.000 1.708 365 M HN 0.716 nan 8.290 nan 0.000 0.471 366 I N 1.688 122.363 120.570 0.175 0.000 2.686 366 I HA 0.686 4.857 4.170 0.001 0.000 0.295 366 I C -1.696 174.466 176.117 0.076 0.000 1.114 366 I CA -1.053 60.358 61.300 0.185 0.000 1.038 366 I CB 2.569 40.710 38.000 0.234 0.000 1.238 366 I HN 0.676 nan 8.210 nan 0.000 0.420 367 V N 7.884 127.871 119.914 0.121 0.000 2.315 367 V HA 0.357 4.478 4.120 0.001 0.000 0.265 367 V C -2.426 173.666 176.094 -0.002 0.000 1.019 367 V CA -1.150 61.172 62.300 0.037 0.000 0.824 367 V CB 0.886 32.824 31.823 0.191 0.000 1.072 367 V HN 0.537 nan 8.190 nan 0.000 0.448 368 P HA 0.385 nan 4.420 nan 0.000 0.293 368 P C -1.157 176.098 177.300 -0.076 0.000 1.300 368 P CA -0.368 62.790 63.100 0.096 0.000 0.792 368 P CB 1.241 33.090 31.700 0.249 0.000 0.925 369 Y N 1.071 121.377 120.300 0.011 0.000 2.354 369 Y HA 0.475 5.026 4.550 0.001 0.000 0.322 369 Y C 1.923 177.822 175.900 -0.002 0.000 1.253 369 Y CA 0.545 58.662 58.100 0.028 0.000 1.272 369 Y CB 1.043 39.553 38.460 0.083 0.000 1.255 369 Y HN 0.494 nan 8.280 nan 0.000 0.500 370 G N 0.092 108.950 108.800 0.097 0.000 3.377 370 G HA2 -0.010 3.950 3.960 0.001 0.000 0.257 370 G HA3 -0.010 3.950 3.960 0.001 0.000 0.257 370 G C -0.506 174.335 174.900 -0.099 0.000 1.038 370 G CA -0.108 44.983 45.100 -0.015 0.000 0.809 370 G HN 0.518 nan 8.290 nan 0.000 0.526 371 D N 1.102 121.410 120.400 -0.154 0.000 2.225 371 D HA 0.227 4.867 4.640 0.001 0.000 0.248 371 D C -1.419 174.701 176.300 -0.300 0.000 1.096 371 D CA -1.789 51.896 54.000 -0.525 0.000 0.863 371 D CB 2.904 43.393 40.800 -0.518 0.000 1.156 371 D HN 0.023 nan 8.370 nan 0.000 0.450 372 P HA 0.049 nan 4.420 nan 0.000 0.240 372 P C -0.195 177.118 177.300 0.022 0.000 1.190 372 P CA -0.095 62.916 63.100 -0.150 0.000 0.781 372 P CB 0.638 32.207 31.700 -0.219 0.000 0.931 373 D N 0.673 121.088 120.400 0.025 0.000 2.354 373 D HA -0.028 4.612 4.640 0.001 0.000 0.238 373 D C 1.916 178.423 176.300 0.344 0.000 1.250 373 D CA -0.061 54.048 54.000 0.181 0.000 0.911 373 D CB 0.520 41.433 40.800 0.188 0.000 1.163 373 D HN 0.076 nan 8.370 nan 0.000 0.456 374 I N -1.994 118.754 120.570 0.296 0.000 2.248 374 I HA -0.124 4.047 4.170 0.001 0.000 0.248 374 I C 1.661 177.921 176.117 0.238 0.000 1.107 374 I CA 1.730 63.217 61.300 0.313 0.000 1.373 374 I CB -0.496 37.620 38.000 0.193 0.000 1.055 374 I HN 0.283 nan 8.210 nan 0.000 0.418 375 G N -0.914 107.997 108.800 0.184 0.000 3.026 375 G HA2 0.073 4.033 3.960 0.001 0.000 0.208 375 G HA3 0.073 4.033 3.960 0.001 0.000 0.208 375 G C 0.496 175.014 174.900 -0.638 0.000 1.169 375 G CA -0.047 44.972 45.100 -0.133 0.000 0.788 375 G HN 0.678 nan 8.290 nan 0.000 0.533 376 W N -2.024 119.123 121.300 -0.255 0.000 2.120 376 W HA 0.184 4.845 4.660 0.001 0.000 0.227 376 W C 1.782 177.992 176.519 -0.514 0.000 0.910 376 W CA -0.502 56.534 57.345 -0.515 0.000 1.111 376 W CB -0.356 28.948 29.460 -0.260 0.000 0.887 376 W HN 0.171 nan 8.180 nan 0.000 0.598 377 Y N 1.326 121.613 120.300 -0.021 0.000 2.241 377 Y HA -0.274 4.277 4.550 0.001 0.000 0.286 377 Y C 1.680 177.621 175.900 0.068 0.000 1.166 377 Y CA 1.398 59.509 58.100 0.018 0.000 1.203 377 Y CB -1.801 36.666 38.460 0.010 0.000 0.977 377 Y HN 0.086 nan 8.280 nan 0.000 0.529 378 F N 0.171 119.976 119.950 -0.242 0.000 2.743 378 F HA 0.381 4.909 4.527 0.001 0.000 0.297 378 F C 0.577 176.420 175.800 0.072 0.000 1.131 378 F CA -1.166 56.867 58.000 0.054 0.000 1.426 378 F CB -0.633 38.227 39.000 -0.233 0.000 1.116 378 F HN -0.245 nan 8.300 nan 0.000 0.583 379 K N 2.329 122.278 120.400 -0.752 0.000 2.351 379 K HA 0.430 4.751 4.320 0.001 0.000 0.287 379 K C -0.145 176.293 176.600 -0.270 0.000 1.068 379 K CA 0.498 56.422 56.287 -0.606 0.000 0.998 379 K CB 0.283 32.291 32.500 -0.820 0.000 0.968 379 K HN 0.355 nan 8.250 nan 0.000 0.464 380 A N 4.698 127.389 122.820 -0.215 0.000 3.422 380 A HA 0.189 4.510 4.320 0.001 0.000 0.271 380 A C -1.031 176.608 177.584 0.091 0.000 1.104 380 A CA -0.736 51.303 52.037 0.003 0.000 0.899 380 A CB -0.025 19.062 19.000 0.145 0.000 1.309 380 A HN 0.690 nan 8.150 nan 0.000 0.580 381 Y N 0.440 120.892 120.300 0.254 0.000 2.745 381 Y HA 0.177 4.728 4.550 0.001 0.000 0.335 381 Y C 0.472 176.519 175.900 0.244 0.000 1.212 381 Y CA -0.289 57.971 58.100 0.268 0.000 1.535 381 Y CB 0.279 38.887 38.460 0.247 0.000 1.220 381 Y HN 0.385 nan 8.280 nan 0.000 0.531 382 L N 5.394 126.862 121.223 0.408 0.000 2.387 382 L HA 0.080 4.421 4.340 0.001 0.000 0.267 382 L C 1.267 178.334 176.870 0.328 0.000 1.197 382 L CA 0.163 55.172 54.840 0.282 0.000 1.070 382 L CB -0.143 42.029 42.059 0.189 0.000 1.349 382 L HN 0.648 nan 8.230 nan 0.000 0.422 383 E N 0.594 120.976 120.200 0.303 0.000 2.035 383 E HA -0.278 4.073 4.350 0.001 0.000 0.204 383 E C 1.981 178.754 176.600 0.288 0.000 1.025 383 E CA 2.003 58.584 56.400 0.302 0.000 0.835 383 E CB -0.288 29.529 29.700 0.195 0.000 0.764 383 E HN 0.734 nan 8.360 nan 0.000 0.457 384 S N 0.423 116.232 115.700 0.182 0.000 2.357 384 S HA -0.030 4.441 4.470 0.001 0.000 0.221 384 S C 2.324 176.962 174.600 0.063 0.000 1.031 384 S CA 1.096 59.382 58.200 0.144 0.000 0.982 384 S CB -0.948 62.319 63.200 0.111 0.000 0.853 384 S HN 0.331 nan 8.310 nan 0.000 0.458 385 G N 1.902 110.698 108.800 -0.007 0.000 2.459 385 G HA2 -0.182 3.778 3.960 0.001 0.000 0.217 385 G HA3 -0.182 3.778 3.960 0.001 0.000 0.217 385 G C 1.130 175.992 174.900 -0.062 0.000 1.183 385 G CA 1.187 46.219 45.100 -0.113 0.000 0.776 385 G HN 0.519 nan 8.290 nan 0.000 0.552 386 D N -1.032 119.375 120.400 0.011 0.000 2.249 386 D HA 0.059 4.700 4.640 0.001 0.000 0.205 386 D C 1.581 177.688 176.300 -0.323 0.000 0.962 386 D CA 0.572 54.490 54.000 -0.137 0.000 0.860 386 D CB 0.053 40.781 40.800 -0.120 0.000 0.955 386 D HN 0.485 nan 8.370 nan 0.000 0.505 387 Y N -0.259 120.098 120.300 0.095 0.000 2.462 387 Y HA 0.329 4.880 4.550 0.001 0.000 0.253 387 Y C 1.175 177.144 175.900 0.116 0.000 1.095 387 Y CA 0.119 58.295 58.100 0.127 0.000 1.283 387 Y CB 0.905 39.457 38.460 0.153 0.000 1.138 387 Y HN -0.102 nan 8.280 nan 0.000 0.522 388 G N 1.319 110.240 108.800 0.201 0.000 2.689 388 G HA2 -0.265 3.696 3.960 0.001 0.000 0.273 388 G HA3 -0.265 3.696 3.960 0.001 0.000 0.273 388 G C 0.451 175.487 174.900 0.226 0.000 1.062 388 G CA 0.241 45.439 45.100 0.163 0.000 1.279 388 G HN 0.290 nan 8.290 nan 0.000 0.547 389 M N 0.874 120.635 119.600 0.269 0.000 2.175 389 M HA 0.003 4.483 4.480 0.001 0.000 0.264 389 M C 2.821 179.417 176.300 0.493 0.000 1.063 389 M CA 2.277 57.801 55.300 0.374 0.000 1.119 389 M CB -0.236 32.642 32.600 0.462 0.000 1.377 389 M HN 0.628 nan 8.290 nan 0.000 0.415 390 G N -0.148 108.880 108.800 0.381 0.000 2.459 390 G HA2 -0.224 3.737 3.960 0.001 0.000 0.217 390 G HA3 -0.224 3.737 3.960 0.001 0.000 0.217 390 G C 1.453 176.514 174.900 0.269 0.000 1.183 390 G CA 1.645 46.928 45.100 0.304 0.000 0.776 390 G HN 0.375 nan 8.290 nan 0.000 0.552 391 T N 1.212 115.884 114.554 0.196 0.000 2.803 391 T HA -0.028 4.323 4.350 0.001 0.000 0.269 391 T C 2.031 176.828 174.700 0.161 0.000 1.052 391 T CA 0.730 62.925 62.100 0.159 0.000 1.136 391 T CB -0.154 68.800 68.868 0.142 0.000 0.864 391 T HN 0.142 nan 8.240 nan 0.000 0.467 392 L N 1.388 122.723 121.223 0.186 0.000 2.645 392 L HA 0.136 4.477 4.340 0.001 0.000 0.234 392 L C 0.701 177.656 176.870 0.141 0.000 1.165 392 L CA -0.235 54.691 54.840 0.143 0.000 0.944 392 L CB -0.671 41.468 42.059 0.134 0.000 1.149 392 L HN 0.077 nan 8.230 nan 0.000 0.446 393 T N 0.208 114.896 114.554 0.223 0.000 2.933 393 T HA -0.035 4.316 4.350 0.001 0.000 0.306 393 T C 0.669 175.427 174.700 0.097 0.000 1.045 393 T CA 0.418 62.651 62.100 0.223 0.000 1.143 393 T CB 0.551 69.650 68.868 0.385 0.000 1.003 393 T HN 0.122 nan 8.240 nan 0.000 0.540 394 S N 5.335 121.043 115.700 0.013 0.000 2.422 394 S HA 0.332 4.803 4.470 0.001 0.000 0.298 394 S C -2.179 172.442 174.600 0.034 0.000 1.118 394 S CA -1.195 57.008 58.200 0.006 0.000 1.083 394 S CB 0.857 64.028 63.200 -0.048 0.000 0.971 394 S HN 0.458 nan 8.310 nan 0.000 0.478 395 P HA 0.026 nan 4.420 nan 0.000 0.262 395 P C -0.207 177.118 177.300 0.040 0.000 1.182 395 P CA -0.047 63.085 63.100 0.053 0.000 0.761 395 P CB 0.230 31.952 31.700 0.037 0.000 0.795 396 I N 2.307 122.912 120.570 0.059 0.000 2.683 396 I HA 0.026 4.196 4.170 0.001 0.000 0.286 396 I C 0.913 177.044 176.117 0.023 0.000 1.175 396 I CA 0.150 61.479 61.300 0.048 0.000 1.429 396 I CB 0.138 38.186 38.000 0.080 0.000 1.371 396 I HN 0.359 nan 8.210 nan 0.000 0.569 397 A N 7.838 130.663 122.820 0.009 0.000 2.316 397 A HA 0.277 4.597 4.320 0.001 0.000 0.311 397 A C 0.642 178.222 177.584 -0.007 0.000 1.339 397 A CA -0.601 51.435 52.037 -0.002 0.000 0.960 397 A CB 0.047 19.044 19.000 -0.005 0.000 1.152 397 A HN 0.795 nan 8.150 nan 0.000 0.547 398 R N 2.110 122.604 120.500 -0.010 0.000 2.481 398 R HA 0.166 4.506 4.340 0.001 0.000 0.291 398 R C 1.435 177.722 176.300 -0.022 0.000 0.934 398 R CA 1.787 57.877 56.100 -0.015 0.000 1.116 398 R CB -0.045 30.242 30.300 -0.022 0.000 0.895 398 R HN 1.662 nan 8.270 nan 0.000 0.410 399 G N 3.095 111.873 108.800 -0.036 0.000 2.189 399 G HA2 -0.354 3.606 3.960 0.001 0.000 0.267 399 G HA3 -0.354 3.606 3.960 0.001 0.000 0.267 399 G C 0.652 175.525 174.900 -0.045 0.000 0.975 399 G CA 0.929 46.003 45.100 -0.043 0.000 0.644 399 G HN 0.671 nan 8.290 nan 0.000 0.537 400 K N -1.163 119.214 120.400 -0.037 0.000 2.354 400 K HA 0.138 4.459 4.320 0.001 0.000 0.210 400 K C 1.364 177.947 176.600 -0.029 0.000 1.184 400 K CA 0.350 56.620 56.287 -0.029 0.000 0.880 400 K CB 0.115 32.604 32.500 -0.017 0.000 1.328 400 K HN 0.067 nan 8.250 nan 0.000 0.466 401 D N 0.842 121.229 120.400 -0.021 0.000 2.277 401 D HA 0.052 4.693 4.640 0.001 0.000 0.208 401 D C 0.098 176.393 176.300 -0.007 0.000 0.962 401 D CA 0.544 54.543 54.000 -0.002 0.000 0.865 401 D CB 0.475 41.281 40.800 0.010 0.000 0.939 401 D HN 0.187 nan 8.370 nan 0.000 0.510 402 A N 0.261 123.035 122.820 -0.077 0.000 2.556 402 A HA 0.599 4.919 4.320 0.001 0.000 0.294 402 A C -2.664 174.723 177.584 -0.328 0.000 1.091 402 A CA -1.324 50.566 52.037 -0.244 0.000 0.704 402 A CB 1.533 20.434 19.000 -0.164 0.000 1.300 402 A HN -0.218 nan 8.150 nan 0.000 0.406 403 P HA 0.097 nan 4.420 nan 0.000 0.272 403 P C 0.923 178.106 177.300 -0.195 0.000 1.240 403 P CA 0.361 63.250 63.100 -0.351 0.000 0.791 403 P CB 0.685 32.136 31.700 -0.414 0.000 0.978 404 S N 0.165 115.812 115.700 -0.087 0.000 2.469 404 S HA -0.155 4.316 4.470 0.001 0.000 0.238 404 S C 1.164 175.783 174.600 0.031 0.000 0.998 404 S CA 0.890 59.082 58.200 -0.014 0.000 0.957 404 S CB -1.100 62.110 63.200 0.017 0.000 0.764 404 S HN 0.637 nan 8.310 nan 0.000 0.514 405 N N 1.913 120.628 118.700 0.025 0.000 2.276 405 N HA 0.302 5.043 4.740 0.001 0.000 0.212 405 N C 0.135 175.735 175.510 0.150 0.000 1.127 405 N CA 0.214 53.324 53.050 0.099 0.000 0.834 405 N CB -0.067 38.487 38.487 0.111 0.000 1.014 405 N HN 0.481 nan 8.380 nan 0.000 0.491 406 A N 0.257 123.136 122.820 0.097 0.000 2.304 406 A HA 0.553 4.874 4.320 0.001 0.000 0.271 406 A C -0.247 177.459 177.584 0.204 0.000 1.091 406 A CA -0.494 51.657 52.037 0.189 0.000 0.812 406 A CB 1.016 20.063 19.000 0.078 0.000 1.056 406 A HN 0.073 nan 8.150 nan 0.000 0.489 407 V N 2.162 122.227 119.914 0.253 0.000 2.417 407 V HA 0.327 4.448 4.120 0.001 0.000 0.291 407 V C -0.380 175.843 176.094 0.216 0.000 1.024 407 V CA -0.231 62.222 62.300 0.256 0.000 0.861 407 V CB 1.170 33.188 31.823 0.324 0.000 0.985 407 V HN 0.676 nan 8.190 nan 0.000 0.436 408 L N 6.506 127.835 121.223 0.177 0.000 2.272 408 L HA 0.574 4.915 4.340 0.001 0.000 0.289 408 L C -0.466 176.492 176.870 0.145 0.000 1.032 408 L CA -0.388 54.536 54.840 0.140 0.000 0.810 408 L CB 1.181 43.290 42.059 0.082 0.000 1.205 408 L HN 0.401 nan 8.230 nan 0.000 0.422 409 L N 3.066 124.377 121.223 0.145 0.000 2.343 409 L HA 0.480 4.820 4.340 0.001 0.000 0.275 409 L C -0.056 176.859 176.870 0.075 0.000 1.056 409 L CA -0.733 54.185 54.840 0.130 0.000 0.804 409 L CB 0.929 43.065 42.059 0.129 0.000 1.203 409 L HN 0.562 nan 8.230 nan 0.000 0.440 410 N N 1.557 120.282 118.700 0.041 0.000 2.487 410 N HA 0.425 5.165 4.740 0.001 0.000 0.292 410 N C -0.778 174.744 175.510 0.020 0.000 1.108 410 N CA -0.533 52.531 53.050 0.024 0.000 0.956 410 N CB 1.912 40.396 38.487 -0.004 0.000 1.176 410 N HN 0.503 nan 8.380 nan 0.000 0.484 411 E N 0.431 120.645 120.200 0.023 0.000 2.314 411 E HA 0.391 4.742 4.350 0.001 0.000 0.272 411 E C -0.835 175.770 176.600 0.008 0.000 0.884 411 E CA -0.552 55.852 56.400 0.006 0.000 0.753 411 E CB 2.160 31.859 29.700 -0.001 0.000 1.213 411 E HN 0.316 nan 8.360 nan 0.000 0.432 412 T N 2.707 117.258 114.554 -0.006 0.000 2.797 412 T HA 0.709 5.060 4.350 0.001 0.000 0.279 412 T C 0.354 175.049 174.700 -0.008 0.000 0.991 412 T CA -0.474 61.623 62.100 -0.004 0.000 0.979 412 T CB 0.436 69.297 68.868 -0.011 0.000 0.943 412 T HN 0.449 nan 8.240 nan 0.000 0.444 413 I N -0.444 120.127 120.570 0.001 0.000 3.516 413 I HA 0.978 5.149 4.170 0.001 0.000 0.307 413 I C -0.890 175.226 176.117 -0.002 0.000 1.157 413 I CA -1.905 59.395 61.300 -0.000 0.000 0.983 413 I CB 1.622 39.633 38.000 0.019 0.000 1.351 413 I HN 0.577 nan 8.210 nan 0.000 0.484 414 A N 1.819 124.638 122.820 -0.001 0.000 2.292 414 A HA 0.592 4.912 4.320 0.001 0.000 0.319 414 A C -0.703 176.898 177.584 0.029 0.000 1.206 414 A CA -0.429 51.599 52.037 -0.015 0.000 0.835 414 A CB 0.267 19.242 19.000 -0.041 0.000 1.164 414 A HN 0.819 nan 8.150 nan 0.000 0.505 415 D N 0.911 121.321 120.400 0.017 0.000 2.414 415 D HA 0.043 4.683 4.640 0.001 0.000 0.251 415 D C 0.837 177.199 176.300 0.103 0.000 1.252 415 D CA -0.034 54.005 54.000 0.065 0.000 0.999 415 D CB -0.005 40.809 40.800 0.024 0.000 1.093 415 D HN 0.646 nan 8.370 nan 0.000 0.515 416 Y N -2.023 118.352 120.300 0.124 0.000 2.483 416 Y HA -0.034 4.516 4.550 0.001 0.000 0.291 416 Y C 1.735 177.807 175.900 0.287 0.000 1.143 416 Y CA 1.283 59.490 58.100 0.180 0.000 1.289 416 Y CB -1.093 37.442 38.460 0.125 0.000 0.983 416 Y HN 0.367 nan 8.280 nan 0.000 0.556 417 T N -3.857 110.491 114.554 -0.342 0.000 3.086 417 T HA 0.486 4.837 4.350 0.001 0.000 0.250 417 T C 1.564 176.351 174.700 0.144 0.000 1.074 417 T CA 0.240 62.286 62.100 -0.091 0.000 0.988 417 T CB -0.192 68.516 68.868 -0.267 0.000 0.988 417 T HN 0.855 nan 8.240 nan 0.000 0.530 418 G N 0.569 109.358 108.800 -0.018 0.000 2.176 418 G HA2 -0.201 3.759 3.960 0.001 0.000 0.232 418 G HA3 -0.201 3.759 3.960 0.001 0.000 0.232 418 G C -0.046 174.721 174.900 -0.222 0.000 0.986 418 G CA -0.142 44.738 45.100 -0.368 0.000 0.643 418 G HN 0.673 nan 8.290 nan 0.000 0.522 419 V N 2.166 122.002 119.914 -0.130 0.000 2.439 419 V HA 0.467 4.588 4.120 0.001 0.000 0.282 419 V C -1.603 174.449 176.094 -0.070 0.000 1.039 419 V CA -1.645 60.598 62.300 -0.095 0.000 0.913 419 V CB 1.604 33.380 31.823 -0.078 0.000 0.983 419 V HN 0.087 nan 8.190 nan 0.000 0.460 420 P HA 0.131 nan 4.420 nan 0.000 0.266 420 P C -0.567 176.720 177.300 -0.023 0.000 1.195 420 P CA 0.187 63.262 63.100 -0.041 0.000 0.768 420 P CB 0.355 32.032 31.700 -0.039 0.000 0.838 421 M N 2.119 121.714 119.600 -0.008 0.000 2.267 421 M HA 0.283 4.764 4.480 0.001 0.000 0.289 421 M C -0.986 175.321 176.300 0.012 0.000 1.043 421 M CA -0.548 54.757 55.300 0.007 0.000 0.928 421 M CB 1.871 34.483 32.600 0.020 0.000 1.613 421 M HN 0.219 nan 8.290 nan 0.000 0.450 422 E N 5.395 125.602 120.200 0.012 0.000 2.081 422 E HA 0.408 4.759 4.350 0.001 0.000 0.281 422 E C -1.413 175.202 176.600 0.026 0.000 0.986 422 E CA -0.467 55.941 56.400 0.013 0.000 0.796 422 E CB 0.961 30.664 29.700 0.005 0.000 1.085 422 E HN 0.708 nan 8.360 nan 0.000 0.398 423 I N 7.966 128.558 120.570 0.038 0.000 2.312 423 I HA 0.240 4.411 4.170 0.001 0.000 0.291 423 I C -1.963 174.184 176.117 0.049 0.000 1.031 423 I CA -2.141 59.193 61.300 0.056 0.000 1.293 423 I CB 1.098 39.151 38.000 0.088 0.000 1.403 423 I HN 0.381 nan 8.210 nan 0.000 0.484 424 P HA 0.139 nan 4.420 nan 0.000 0.279 424 P C -0.590 176.736 177.300 0.043 0.000 1.239 424 P CA -0.333 62.783 63.100 0.026 0.000 0.789 424 P CB 0.646 32.351 31.700 0.009 0.000 0.933 425 R N 1.054 121.579 120.500 0.041 0.000 3.405 425 R HA -0.224 4.117 4.340 0.001 0.000 0.258 425 R C 1.119 177.484 176.300 0.108 0.000 1.030 425 R CA 0.467 56.606 56.100 0.064 0.000 0.691 425 R CB -2.562 27.763 30.300 0.041 0.000 1.093 425 R HN 0.607 nan 8.270 nan 0.000 0.448 426 A N 0.339 123.234 122.820 0.125 0.000 1.969 426 A HA 0.066 4.387 4.320 0.001 0.000 0.218 426 A C 1.060 178.812 177.584 0.280 0.000 1.169 426 A CA 1.008 53.163 52.037 0.195 0.000 0.635 426 A CB 0.255 19.346 19.000 0.153 0.000 0.810 426 A HN 0.397 nan 8.150 nan 0.000 0.445 427 I N -1.527 119.168 120.570 0.208 0.000 2.656 427 I HA 0.526 4.696 4.170 0.001 0.000 0.292 427 I C -0.358 175.874 176.117 0.191 0.000 1.144 427 I CA -0.726 60.709 61.300 0.226 0.000 1.038 427 I CB 2.230 40.317 38.000 0.145 0.000 1.244 427 I HN 0.116 nan 8.210 nan 0.000 0.420 428 A N 5.597 128.556 122.820 0.231 0.000 2.324 428 A HA 0.840 5.160 4.320 0.001 0.000 0.330 428 A C -0.875 176.841 177.584 0.220 0.000 1.165 428 A CA -0.512 51.676 52.037 0.251 0.000 0.813 428 A CB 1.400 20.597 19.000 0.329 0.000 1.197 428 A HN 0.427 nan 8.150 nan 0.000 0.484 429 V N 2.967 122.978 119.914 0.161 0.000 2.487 429 V HA 0.707 4.828 4.120 0.001 0.000 0.298 429 V C -1.095 175.031 176.094 0.053 0.000 1.028 429 V CA -0.242 62.015 62.300 -0.073 0.000 0.860 429 V CB 0.775 32.444 31.823 -0.256 0.000 0.991 429 V HN 0.864 nan 8.190 nan 0.000 0.427 430 F N 1.421 121.268 119.950 -0.172 0.000 2.628 430 F HA 0.716 5.243 4.527 0.001 0.000 0.309 430 F C -0.689 175.039 175.800 -0.119 0.000 1.108 430 F CA -1.110 56.851 58.000 -0.065 0.000 0.971 430 F CB 1.446 40.452 39.000 0.010 0.000 1.279 430 F HN 0.475 nan 8.300 nan 0.000 0.441 431 E N 2.843 123.156 120.200 0.188 0.000 2.277 431 E HA 0.670 5.021 4.350 0.001 0.000 0.274 431 E C -0.931 175.793 176.600 0.208 0.000 1.022 431 E CA -0.831 55.620 56.400 0.085 0.000 0.853 431 E CB 1.260 31.112 29.700 0.252 0.000 1.086 431 E HN 0.866 nan 8.360 nan 0.000 0.397 432 R N 2.662 123.242 120.500 0.132 0.000 2.668 432 R HA 0.234 4.575 4.340 0.001 0.000 0.272 432 R C -1.541 174.842 176.300 0.138 0.000 1.019 432 R CA -0.991 55.215 56.100 0.178 0.000 0.894 432 R CB 0.490 30.909 30.300 0.197 0.000 1.228 432 R HN 0.536 nan 8.270 nan 0.000 0.460 433 Y N 1.715 122.048 120.300 0.054 0.000 2.377 433 Y HA 0.455 5.006 4.550 0.001 0.000 0.330 433 Y C -0.461 175.438 175.900 -0.002 0.000 1.108 433 Y CA 0.207 58.325 58.100 0.029 0.000 1.308 433 Y CB 1.265 39.737 38.460 0.021 0.000 1.216 433 Y HN 0.838 nan 8.280 nan 0.000 0.518 434 A N 5.490 127.868 122.820 -0.737 0.000 2.992 434 A HA 0.614 4.935 4.320 0.001 0.000 0.263 434 A C 0.567 177.757 177.584 -0.657 0.000 0.928 434 A CA 0.070 51.778 52.037 -0.549 0.000 1.061 434 A CB -0.765 18.041 19.000 -0.324 0.000 1.173 434 A HN 1.807 nan 8.150 nan 0.000 0.482 435 G N 0.840 108.889 108.800 -1.253 0.000 2.741 435 G HA2 -0.102 3.859 3.960 0.001 0.000 0.222 435 G HA3 -0.102 3.859 3.960 0.001 0.000 0.222 435 G C -3.025 171.635 174.900 -0.401 0.000 1.364 435 G CA -0.387 44.358 45.100 -0.591 0.000 0.866 435 G HN 0.517 nan 8.290 nan 0.000 0.555 436 P HA 0.307 nan 4.420 nan 0.000 0.276 436 P C 0.473 177.705 177.300 -0.114 0.000 1.230 436 P CA 0.006 63.056 63.100 -0.084 0.000 0.776 436 P CB 1.689 33.378 31.700 -0.018 0.000 0.888 437 E N 3.904 124.003 120.200 -0.168 0.000 2.072 437 E HA -0.128 4.223 4.350 0.001 0.000 0.191 437 E C -0.012 176.579 176.600 -0.016 0.000 0.985 437 E CA 1.687 58.010 56.400 -0.129 0.000 0.801 437 E CB -0.328 29.257 29.700 -0.190 0.000 0.750 437 E HN 0.572 nan 8.360 nan 0.000 0.452 438 Y N -2.741 117.565 120.300 0.009 0.000 2.677 438 Y HA 0.642 5.192 4.550 0.001 0.000 0.334 438 Y C -1.226 174.691 175.900 0.029 0.000 1.196 438 Y CA -1.714 56.394 58.100 0.013 0.000 1.059 438 Y CB 0.680 39.143 38.460 0.005 0.000 1.315 438 Y HN -0.116 nan 8.280 nan 0.000 0.455 439 K N 1.343 121.941 120.400 0.330 0.000 2.562 439 K HA 0.507 4.827 4.320 0.001 0.000 0.267 439 K C -2.639 174.120 176.600 0.265 0.000 0.938 439 K CA -0.801 55.633 56.287 0.246 0.000 0.840 439 K CB 2.057 34.629 32.500 0.120 0.000 1.390 439 K HN 1.039 nan 8.250 nan 0.000 0.428 440 H N 2.122 121.255 119.070 0.105 0.000 3.181 440 H HA 0.228 4.785 4.556 0.001 0.000 0.331 440 H C -1.758 173.596 175.328 0.043 0.000 0.988 440 H CA -0.303 55.778 56.048 0.055 0.000 1.449 440 H CB 1.601 31.378 29.762 0.026 0.000 1.749 440 H HN 0.530 nan 8.280 nan 0.000 0.501 441 Q N 3.591 123.132 119.800 -0.431 0.000 2.569 441 Q HA 0.233 4.574 4.340 0.001 0.000 0.226 441 Q C -0.706 174.957 176.000 -0.561 0.000 1.136 441 Q CA -0.689 54.909 55.803 -0.341 0.000 0.947 441 Q CB 0.460 29.110 28.738 -0.145 0.000 1.218 441 Q HN 0.601 nan 8.270 nan 0.000 0.547 442 E N 2.949 122.781 120.200 -0.614 0.000 2.360 442 E HA 0.113 4.463 4.350 0.001 0.000 0.269 442 E C -0.657 175.850 176.600 -0.155 0.000 1.022 442 E CA -0.109 56.075 56.400 -0.359 0.000 0.887 442 E CB 0.513 30.143 29.700 -0.117 0.000 0.990 442 E HN 0.747 nan 8.360 nan 0.000 0.426 443 M N 4.097 123.651 119.600 -0.077 0.000 2.249 443 M HA 0.204 4.685 4.480 0.001 0.000 0.340 443 M C 1.144 177.425 176.300 -0.032 0.000 1.166 443 M CA 1.812 57.084 55.300 -0.046 0.000 1.115 443 M CB 0.213 32.802 32.600 -0.019 0.000 1.606 443 M HN 0.763 nan 8.290 nan 0.000 0.448 444 G N 1.870 110.653 108.800 -0.029 0.000 2.184 444 G HA2 -0.197 3.764 3.960 0.001 0.000 0.264 444 G HA3 -0.197 3.764 3.960 0.001 0.000 0.264 444 G C -0.095 174.792 174.900 -0.022 0.000 0.975 444 G CA 0.260 45.349 45.100 -0.020 0.000 0.642 444 G HN 0.640 nan 8.290 nan 0.000 0.536 445 Q N -0.049 119.730 119.800 -0.034 0.000 2.378 445 Q HA 0.569 4.909 4.340 0.001 0.000 0.276 445 Q C -2.635 173.345 176.000 -0.034 0.000 1.083 445 Q CA -1.916 53.869 55.803 -0.029 0.000 0.856 445 Q CB 1.136 29.857 28.738 -0.029 0.000 1.383 445 Q HN 0.185 nan 8.270 nan 0.000 0.458 446 P HA 0.029 nan 4.420 nan 0.000 0.271 446 P C -0.103 177.183 177.300 -0.025 0.000 1.216 446 P CA -0.131 62.958 63.100 -0.018 0.000 0.771 446 P CB 0.494 32.190 31.700 -0.006 0.000 0.864 447 N N 1.638 120.323 118.700 -0.025 0.000 2.371 447 N HA 0.109 4.849 4.740 0.001 0.000 0.243 447 N C -1.189 174.325 175.510 0.007 0.000 1.287 447 N CA -0.040 52.993 53.050 -0.028 0.000 0.911 447 N CB 0.496 38.972 38.487 -0.019 0.000 1.142 447 N HN 0.040 nan 8.380 nan 0.000 0.451 448 V N 1.396 121.331 119.914 0.034 0.000 2.483 448 V HA 0.418 4.539 4.120 0.001 0.000 0.297 448 V C -0.652 175.513 176.094 0.118 0.000 1.027 448 V CA -0.526 61.831 62.300 0.095 0.000 0.855 448 V CB 1.378 33.288 31.823 0.146 0.000 0.995 448 V HN 0.702 nan 8.190 nan 0.000 0.424 449 S N 2.330 118.072 115.700 0.070 0.000 2.537 449 S HA 0.845 5.316 4.470 0.001 0.000 0.270 449 S C -0.485 174.056 174.600 -0.099 0.000 1.142 449 S CA -0.618 57.587 58.200 0.008 0.000 0.870 449 S CB 2.443 65.648 63.200 0.008 0.000 1.112 449 S HN 0.989 nan 8.310 nan 0.000 0.466 450 T N -0.734 113.659 114.554 -0.268 0.000 2.896 450 T HA 0.678 5.028 4.350 0.001 0.000 0.297 450 T C -1.083 173.503 174.700 -0.190 0.000 1.108 450 T CA -1.086 60.853 62.100 -0.267 0.000 1.004 450 T CB 1.480 70.070 68.868 -0.464 0.000 1.159 450 T HN 0.632 nan 8.240 nan 0.000 0.499 451 E N 1.106 121.264 120.200 -0.071 0.000 2.318 451 E HA 0.456 4.806 4.350 0.001 0.000 0.265 451 E C -0.375 176.182 176.600 -0.073 0.000 1.069 451 E CA -1.134 55.267 56.400 0.001 0.000 0.893 451 E CB 1.525 31.347 29.700 0.204 0.000 1.076 451 E HN 0.664 nan 8.360 nan 0.000 0.414 452 R N 1.186 121.605 120.500 -0.134 0.000 2.312 452 R HA 0.248 4.588 4.340 0.001 0.000 0.311 452 R C -0.751 175.506 176.300 -0.072 0.000 1.004 452 R CA -0.635 55.398 56.100 -0.111 0.000 0.902 452 R CB 0.741 30.935 30.300 -0.177 0.000 1.073 452 R HN 0.408 nan 8.270 nan 0.000 0.457 453 R N 2.917 123.463 120.500 0.077 0.000 2.599 453 R HA 0.365 4.706 4.340 0.001 0.000 0.295 453 R C -0.989 175.475 176.300 0.274 0.000 0.963 453 R CA -0.709 55.516 56.100 0.209 0.000 0.883 453 R CB 2.024 32.543 30.300 0.364 0.000 1.171 453 R HN 0.747 nan 8.270 nan 0.000 0.450 454 E N 1.593 121.851 120.200 0.097 0.000 2.293 454 E HA 0.363 4.714 4.350 0.001 0.000 0.270 454 E C -1.030 175.353 176.600 -0.362 0.000 0.879 454 E CA -1.062 55.280 56.400 -0.097 0.000 0.756 454 E CB 2.746 32.263 29.700 -0.306 0.000 1.208 454 E HN 0.097 nan 8.360 nan 0.000 0.428 455 L N 3.147 123.956 121.223 -0.691 0.000 2.280 455 L HA 0.393 4.734 4.340 0.001 0.000 0.287 455 L C -1.435 175.108 176.870 -0.545 0.000 1.023 455 L CA -0.615 53.645 54.840 -0.967 0.000 0.819 455 L CB 1.368 42.434 42.059 -1.656 0.000 1.212 455 L HN 0.314 nan 8.230 nan 0.000 0.420 456 V N 5.859 125.361 119.914 -0.688 0.000 2.435 456 V HA 0.496 4.617 4.120 0.001 0.000 0.290 456 V C -0.365 175.412 176.094 -0.527 0.000 1.030 456 V CA -0.667 61.217 62.300 -0.693 0.000 0.881 456 V CB 1.848 32.926 31.823 -1.242 0.000 0.983 456 V HN 0.487 nan 8.190 nan 0.000 0.445 457 V N 6.000 125.817 119.914 -0.161 0.000 2.357 457 V HA 0.535 4.656 4.120 0.001 0.000 0.284 457 V C 0.033 176.232 176.094 0.175 0.000 1.018 457 V CA -0.591 61.727 62.300 0.029 0.000 0.841 457 V CB 1.464 33.377 31.823 0.150 0.000 0.991 457 V HN 0.880 nan 8.190 nan 0.000 0.437 458 R N 3.895 124.530 120.500 0.226 0.000 2.599 458 R HA 0.587 4.927 4.340 0.001 0.000 0.295 458 R C -1.950 174.626 176.300 0.459 0.000 0.963 458 R CA -0.605 55.720 56.100 0.375 0.000 0.883 458 R CB 1.835 32.383 30.300 0.412 0.000 1.171 458 R HN 0.674 nan 8.270 nan 0.000 0.450 459 W N 6.750 128.232 121.300 0.304 0.000 2.998 459 W HA 0.538 5.198 4.660 0.001 0.000 0.335 459 W C -1.954 174.757 176.519 0.319 0.000 1.110 459 W CA -0.771 56.736 57.345 0.271 0.000 1.230 459 W CB 1.156 30.774 29.460 0.263 0.000 1.405 459 W HN 0.408 nan 8.180 nan 0.000 0.493 460 I N 5.415 125.799 120.570 -0.311 0.000 2.433 460 I HA 0.392 4.563 4.170 0.001 0.000 0.292 460 I C -0.279 175.443 176.117 -0.658 0.000 1.001 460 I CA -0.951 60.096 61.300 -0.422 0.000 1.119 460 I CB 1.976 39.884 38.000 -0.154 0.000 1.289 460 I HN 0.389 nan 8.210 nan 0.000 0.438 461 S N 3.707 119.063 115.700 -0.575 0.000 2.532 461 S HA 0.580 5.051 4.470 0.001 0.000 0.299 461 S C -0.662 173.879 174.600 -0.100 0.000 1.105 461 S CA -0.306 57.697 58.200 -0.328 0.000 1.018 461 S CB 1.535 64.495 63.200 -0.400 0.000 1.021 461 S HN 0.582 nan 8.310 nan 0.000 0.483 462 T N 3.891 118.412 114.554 -0.056 0.000 2.779 462 T HA 0.488 4.839 4.350 0.001 0.000 0.280 462 T C -0.770 173.928 174.700 -0.003 0.000 0.987 462 T CA -0.460 61.595 62.100 -0.075 0.000 0.966 462 T CB 1.223 70.036 68.868 -0.092 0.000 0.933 462 T HN 0.465 nan 8.240 nan 0.000 0.442 463 V N 3.780 123.689 119.914 -0.008 0.000 2.266 463 V HA 0.625 4.746 4.120 0.001 0.000 0.271 463 V C 1.151 177.191 176.094 -0.090 0.000 1.032 463 V CA 0.079 62.375 62.300 -0.006 0.000 0.806 463 V CB -0.130 31.736 31.823 0.072 0.000 1.052 463 V HN 1.243 nan 8.190 nan 0.000 0.449 464 G N 5.213 114.015 108.800 0.004 0.000 2.595 464 G HA2 -0.288 3.672 3.960 0.001 0.000 0.297 464 G HA3 -0.288 3.672 3.960 0.001 0.000 0.297 464 G C 0.275 175.144 174.900 -0.051 0.000 1.181 464 G CA 0.484 45.652 45.100 0.114 0.000 0.963 464 G HN 0.870 nan 8.290 nan 0.000 0.541 468 Y N 1.042 121.193 120.300 -0.247 0.000 2.409 468 Y HA 0.707 5.258 4.550 0.001 0.000 0.339 468 Y C 0.112 175.747 175.900 -0.440 0.000 1.033 468 Y CA -0.809 57.085 58.100 -0.344 0.000 1.094 468 Y CB 1.385 39.786 38.460 -0.099 0.000 1.210 468 Y HN 0.255 nan 8.280 nan 0.000 0.456 469 I N 3.772 124.044 120.570 -0.496 0.000 2.465 469 I HA 0.393 4.564 4.170 0.001 0.000 0.291 469 I C -1.371 174.434 176.117 -0.520 0.000 1.014 469 I CA -0.613 60.468 61.300 -0.365 0.000 1.093 469 I CB 1.381 39.178 38.000 -0.340 0.000 1.267 469 I HN 0.342 nan 8.210 nan 0.000 0.431 470 F N 3.470 123.526 119.950 0.177 0.000 2.493 470 F HA 0.463 4.991 4.527 0.001 0.000 0.329 470 F C -0.357 175.633 175.800 0.316 0.000 1.126 470 F CA -0.725 57.448 58.000 0.290 0.000 0.937 470 F CB 1.486 40.827 39.000 0.568 0.000 1.146 470 F HN 0.301 nan 8.300 nan 0.000 0.442 471 D N 2.416 122.977 120.400 0.268 0.000 2.492 471 D HA 0.233 4.874 4.640 0.001 0.000 0.248 471 D C -1.398 174.809 176.300 -0.154 0.000 1.101 471 D CA -0.283 53.804 54.000 0.144 0.000 0.840 471 D CB 1.314 42.137 40.800 0.039 0.000 1.209 471 D HN 0.340 nan 8.370 nan 0.000 0.524 472 W N 2.919 124.135 121.300 -0.140 0.000 2.291 472 W HA 0.478 5.139 4.660 0.001 0.000 0.312 472 W C -0.010 176.204 176.519 -0.507 0.000 1.061 472 W CA -0.585 56.539 57.345 -0.369 0.000 1.296 472 W CB 0.562 29.818 29.460 -0.341 0.000 1.223 472 W HN 0.154 nan 8.180 nan 0.000 0.421 473 I N 4.569 124.853 120.570 -0.476 0.000 2.359 473 I HA 0.275 4.446 4.170 0.001 0.000 0.284 473 I C -0.808 175.036 176.117 -0.454 0.000 1.018 473 I CA -0.847 60.213 61.300 -0.401 0.000 1.173 473 I CB 0.374 38.223 38.000 -0.252 0.000 1.326 473 I HN 0.114 nan 8.210 nan 0.000 0.462 474 F N 4.832 124.592 119.950 -0.318 0.000 2.390 474 F HA 0.323 4.851 4.527 0.001 0.000 0.361 474 F C 0.987 176.854 175.800 0.112 0.000 1.124 474 F CA -0.270 57.502 58.000 -0.379 0.000 1.149 474 F CB 0.132 38.635 39.000 -0.829 0.000 1.160 474 F HN 0.410 nan 8.300 nan 0.000 0.501 475 H N 2.386 121.637 119.070 0.303 0.000 2.525 475 H HA 0.042 4.599 4.556 0.001 0.000 0.339 475 H C 1.090 176.895 175.328 0.795 0.000 1.109 475 H CA -0.362 55.938 56.048 0.420 0.000 1.352 475 H CB 1.456 31.373 29.762 0.258 0.000 1.461 475 H HN 0.722 nan 8.280 nan 0.000 0.533 476 E N 2.680 123.331 120.200 0.751 0.000 2.160 476 E HA -0.215 4.135 4.350 0.001 0.000 0.195 476 E C 1.107 177.977 176.600 0.449 0.000 0.991 476 E CA 1.271 57.999 56.400 0.547 0.000 0.810 476 E CB -0.010 29.820 29.700 0.218 0.000 0.742 476 E HN 0.742 nan 8.360 nan 0.000 0.466 477 N N -1.191 117.726 118.700 0.363 0.000 2.567 477 N HA -0.031 4.710 4.740 0.001 0.000 0.195 477 N C 1.107 176.688 175.510 0.117 0.000 1.242 477 N CA 0.517 53.663 53.050 0.161 0.000 0.884 477 N CB 0.514 39.066 38.487 0.109 0.000 1.007 477 N HN 0.262 nan 8.380 nan 0.000 0.450 478 G N -0.269 108.770 108.800 0.398 0.000 2.234 478 G HA2 -0.264 3.697 3.960 0.001 0.000 0.235 478 G HA3 -0.264 3.697 3.960 0.001 0.000 0.235 478 G C 0.230 175.514 174.900 0.641 0.000 0.997 478 G CA 0.238 45.550 45.100 0.353 0.000 0.623 478 G HN 0.422 nan 8.290 nan 0.000 0.514 479 T N 1.347 116.131 114.554 0.383 0.000 2.918 479 T HA 0.571 4.922 4.350 0.001 0.000 0.302 479 T C 0.363 175.102 174.700 0.066 0.000 1.045 479 T CA 0.491 62.633 62.100 0.069 0.000 1.114 479 T CB 1.100 69.713 68.868 -0.426 0.000 0.965 479 T HN 0.338 nan 8.240 nan 0.000 0.540 480 I N 2.040 122.568 120.570 -0.070 0.000 2.447 480 I HA 0.500 4.671 4.170 0.001 0.000 0.287 480 I C 0.617 176.564 176.117 -0.284 0.000 1.023 480 I CA -0.778 60.382 61.300 -0.234 0.000 1.083 480 I CB 1.924 39.745 38.000 -0.298 0.000 1.245 480 I HN 0.683 nan 8.210 nan 0.000 0.434 481 G N 6.438 115.074 108.800 -0.274 0.000 2.454 481 G HA2 0.836 4.796 3.960 0.001 0.000 0.329 481 G HA3 0.836 4.796 3.960 0.001 0.000 0.329 481 G C -0.905 173.723 174.900 -0.454 0.000 1.177 481 G CA -0.506 44.438 45.100 -0.259 0.000 0.951 481 G HN 0.498 nan 8.290 nan 0.000 0.485 482 I N 1.569 121.821 120.570 -0.529 0.000 2.476 482 I HA 0.272 4.443 4.170 0.001 0.000 0.281 482 I C -1.345 174.425 176.117 -0.578 0.000 1.040 482 I CA -0.720 60.059 61.300 -0.868 0.000 1.094 482 I CB 2.022 39.179 38.000 -1.405 0.000 1.219 482 I HN 0.222 nan 8.210 nan 0.000 0.450 483 D N 5.034 125.214 120.400 -0.367 0.000 2.340 483 D HA 0.768 5.408 4.640 0.001 0.000 0.240 483 D C -0.616 175.673 176.300 -0.019 0.000 1.001 483 D CA -0.379 53.561 54.000 -0.100 0.000 0.888 483 D CB 2.560 43.404 40.800 0.074 0.000 1.310 483 D HN 0.525 nan 8.370 nan 0.000 0.474 484 A N 0.467 123.227 122.820 -0.099 0.000 2.356 484 A HA 0.738 5.058 4.320 0.001 0.000 0.310 484 A C -0.001 177.205 177.584 -0.631 0.000 1.075 484 A CA -0.685 51.028 52.037 -0.541 0.000 0.746 484 A CB 1.555 19.948 19.000 -1.010 0.000 1.221 484 A HN 0.476 nan 8.150 nan 0.000 0.443 485 G N 0.369 108.508 108.800 -1.101 0.000 2.388 485 G HA2 0.724 4.684 3.960 0.001 0.000 0.330 485 G HA3 0.724 4.684 3.960 0.001 0.000 0.330 485 G C -0.414 173.953 174.900 -0.887 0.000 1.142 485 G CA 0.061 44.206 45.100 -1.591 0.000 0.908 485 G HN 1.632 nan 8.290 nan 0.000 0.473 486 A N 1.231 123.616 122.820 -0.726 0.000 2.359 486 A HA 0.869 5.190 4.320 0.001 0.000 0.303 486 A C -0.168 177.105 177.584 -0.519 0.000 1.066 486 A CA -0.354 51.370 52.037 -0.522 0.000 0.730 486 A CB 2.042 20.767 19.000 -0.459 0.000 1.211 486 A HN 1.090 nan 8.150 nan 0.000 0.439 487 T N 0.632 114.888 114.554 -0.497 0.000 2.618 487 T HA 0.871 5.222 4.350 0.001 0.000 0.293 487 T C 0.315 174.780 174.700 -0.392 0.000 1.093 487 T CA 0.944 62.811 62.100 -0.388 0.000 1.061 487 T CB 1.003 69.661 68.868 -0.350 0.000 1.498 487 T HN 2.714 nan 8.240 nan 0.000 0.494 488 G N 0.535 109.118 108.800 -0.363 0.000 2.378 488 G HA2 0.107 4.068 3.960 0.001 0.000 0.198 488 G HA3 0.107 4.068 3.960 0.001 0.000 0.198 488 G C -1.688 172.950 174.900 -0.437 0.000 1.223 488 G CA -0.259 44.580 45.100 -0.434 0.000 1.088 488 G HN 0.823 nan 8.290 nan 0.000 0.530 489 I N 1.429 121.675 120.570 -0.540 0.000 2.404 489 I HA 0.466 4.636 4.170 0.001 0.000 0.293 489 I C 0.708 176.647 176.117 -0.297 0.000 0.992 489 I CA -0.999 60.002 61.300 -0.498 0.000 1.149 489 I CB 1.148 38.697 38.000 -0.750 0.000 1.315 489 I HN 0.653 nan 8.210 nan 0.000 0.446 490 E N 2.999 123.230 120.200 0.051 0.000 2.383 490 E HA 0.424 4.775 4.350 0.001 0.000 0.264 490 E C -0.282 176.420 176.600 0.171 0.000 1.050 490 E CA -0.461 56.033 56.400 0.156 0.000 0.896 490 E CB 1.238 31.111 29.700 0.289 0.000 0.982 490 E HN 0.711 nan 8.360 nan 0.000 0.424 491 A N 3.104 126.025 122.820 0.169 0.000 2.310 491 A HA 0.334 4.655 4.320 0.001 0.000 0.300 491 A C -0.074 177.773 177.584 0.439 0.000 1.269 491 A CA -0.553 51.664 52.037 0.301 0.000 0.909 491 A CB -0.245 18.898 19.000 0.237 0.000 1.144 491 A HN 0.359 nan 8.150 nan 0.000 0.540 492 V N 0.484 120.666 119.914 0.447 0.000 2.994 492 V HA 0.663 4.784 4.120 0.001 0.000 0.318 492 V C -0.120 176.270 176.094 0.493 0.000 1.085 492 V CA -1.150 61.338 62.300 0.314 0.000 0.998 492 V CB 1.612 33.416 31.823 -0.032 0.000 1.063 492 V HN 0.780 nan 8.190 nan 0.000 0.447 493 K N 1.756 122.333 120.400 0.294 0.000 2.213 493 K HA 0.618 4.939 4.320 0.001 0.000 0.270 493 K C 0.269 176.956 176.600 0.144 0.000 1.002 493 K CA -0.160 56.307 56.287 0.299 0.000 0.868 493 K CB 1.064 33.536 32.500 -0.046 0.000 1.093 493 K HN 1.194 nan 8.250 nan 0.000 0.454 494 G N 2.355 111.259 108.800 0.174 0.000 2.432 494 G HA2 0.422 4.383 3.960 0.001 0.000 0.257 494 G HA3 0.422 4.383 3.960 0.001 0.000 0.257 494 G C -0.551 174.391 174.900 0.070 0.000 1.238 494 G CA -0.386 44.778 45.100 0.106 0.000 0.838 494 G HN 0.514 nan 8.290 nan 0.000 0.547 495 V N -0.289 119.650 119.914 0.042 0.000 3.159 495 V HA 0.575 4.696 4.120 0.001 0.000 0.308 495 V C 0.699 176.811 176.094 0.030 0.000 1.190 495 V CA -1.144 61.172 62.300 0.026 0.000 1.037 495 V CB 2.049 33.870 31.823 -0.004 0.000 1.060 495 V HN 0.671 nan 8.190 nan 0.000 0.437 496 K N 1.050 121.464 120.400 0.023 0.000 2.296 496 K HA 0.349 4.669 4.320 0.001 0.000 0.200 496 K C 1.015 177.627 176.600 0.021 0.000 1.048 496 K CA 1.113 57.414 56.287 0.023 0.000 0.966 496 K CB 0.121 32.631 32.500 0.017 0.000 0.754 496 K HN 0.957 nan 8.250 nan 0.000 0.466 497 A N 1.644 124.472 122.820 0.014 0.000 2.425 497 A HA 0.056 4.376 4.320 0.001 0.000 0.249 497 A C 0.636 178.245 177.584 0.042 0.000 1.084 497 A CA 0.098 52.145 52.037 0.017 0.000 0.781 497 A CB 0.480 19.480 19.000 0.000 0.000 1.019 497 A HN 0.137 nan 8.150 nan 0.000 0.490 498 K N -0.214 120.216 120.400 0.050 0.000 2.335 498 K HA 0.084 4.405 4.320 0.001 0.000 0.195 498 K C 0.499 177.220 176.600 0.201 0.000 1.058 498 K CA 1.301 57.646 56.287 0.097 0.000 0.988 498 K CB 0.341 32.798 32.500 -0.072 0.000 0.880 498 K HN 0.922 nan 8.250 nan 0.000 0.513 499 T N -3.187 111.432 114.554 0.108 0.000 2.864 499 T HA 0.237 4.587 4.350 0.001 0.000 0.299 499 T C 0.648 175.350 174.700 0.003 0.000 1.166 499 T CA -0.828 61.332 62.100 0.101 0.000 1.007 499 T CB 1.276 70.248 68.868 0.174 0.000 1.219 499 T HN -0.266 nan 8.240 nan 0.000 0.506 500 M N 0.584 120.118 119.600 -0.109 0.000 2.629 500 M HA 0.012 4.492 4.480 0.001 0.000 0.257 500 M C 1.203 177.353 176.300 -0.251 0.000 1.071 500 M CA 1.314 56.496 55.300 -0.197 0.000 1.077 500 M CB -1.631 30.814 32.600 -0.257 0.000 1.423 500 M HN 0.770 nan 8.290 nan 0.000 0.508 501 H N -0.731 118.342 119.070 0.004 0.000 2.551 501 H HA 0.080 4.637 4.556 0.001 0.000 0.266 501 H C 0.047 175.372 175.328 -0.006 0.000 0.964 501 H CA -0.182 55.865 56.048 -0.002 0.000 1.180 501 H CB 0.292 30.056 29.762 0.002 0.000 1.408 501 H HN 0.206 nan 8.280 nan 0.000 0.563 502 D N 0.835 121.284 120.400 0.082 0.000 2.382 502 D HA -0.068 4.573 4.640 0.001 0.000 0.245 502 D C 1.299 177.610 176.300 0.018 0.000 1.120 502 D CA 0.022 54.048 54.000 0.044 0.000 0.890 502 D CB 0.911 41.728 40.800 0.028 0.000 1.201 502 D HN 0.543 nan 8.370 nan 0.000 0.433 503 E N 0.151 120.360 120.200 0.014 0.000 2.136 503 E HA -0.296 4.054 4.350 0.001 0.000 0.202 503 E C 1.036 177.632 176.600 -0.007 0.000 1.019 503 E CA 1.796 58.198 56.400 0.004 0.000 0.819 503 E CB -0.383 29.319 29.700 0.003 0.000 0.739 503 E HN 0.480 nan 8.360 nan 0.000 0.458 504 T N -2.485 112.064 114.554 -0.008 0.000 3.129 504 T HA 0.464 4.815 4.350 0.001 0.000 0.251 504 T C 1.846 176.527 174.700 -0.032 0.000 1.117 504 T CA 0.288 62.378 62.100 -0.017 0.000 1.034 504 T CB 0.376 69.238 68.868 -0.010 0.000 0.968 504 T HN 0.363 nan 8.240 nan 0.000 0.526 505 A N 2.902 125.703 122.820 -0.031 0.000 1.896 505 A HA -0.244 4.077 4.320 0.001 0.000 0.220 505 A C 2.395 179.935 177.584 -0.074 0.000 1.206 505 A CA 2.001 54.007 52.037 -0.051 0.000 0.647 505 A CB -0.820 18.147 19.000 -0.056 0.000 0.828 505 A HN 0.395 nan 8.150 nan 0.000 0.455 506 K N -0.387 119.969 120.400 -0.074 0.000 2.020 506 K HA -0.207 4.113 4.320 0.001 0.000 0.212 506 K C 1.564 178.093 176.600 -0.119 0.000 1.050 506 K CA 2.182 58.413 56.287 -0.092 0.000 0.929 506 K CB -0.611 31.845 32.500 -0.074 0.000 0.714 506 K HN 0.534 nan 8.250 nan 0.000 0.443 507 D N 0.775 121.116 120.400 -0.097 0.000 2.183 507 D HA -0.112 4.529 4.640 0.001 0.000 0.203 507 D C 1.489 177.716 176.300 -0.122 0.000 0.969 507 D CA 0.788 54.720 54.000 -0.113 0.000 0.842 507 D CB -0.150 40.614 40.800 -0.061 0.000 0.957 507 D HN 0.246 nan 8.370 nan 0.000 0.484 508 D N -0.004 120.343 120.400 -0.089 0.000 2.178 508 D HA -0.097 4.544 4.640 0.001 0.000 0.201 508 D C 1.866 178.091 176.300 -0.124 0.000 0.980 508 D CA 1.168 55.119 54.000 -0.081 0.000 0.842 508 D CB -0.235 40.532 40.800 -0.056 0.000 0.948 508 D HN 0.305 nan 8.370 nan 0.000 0.472 509 T N -2.300 112.164 114.554 -0.151 0.000 3.145 509 T HA 0.148 4.499 4.350 0.001 0.000 0.255 509 T C 1.478 176.030 174.700 -0.247 0.000 1.039 509 T CA -0.417 61.579 62.100 -0.173 0.000 0.928 509 T CB 0.407 69.192 68.868 -0.138 0.000 1.029 509 T HN -0.012 nan 8.240 nan 0.000 0.554 510 R N 0.148 120.420 120.500 -0.381 0.000 2.148 510 R HA -0.023 4.318 4.340 0.001 0.000 0.227 510 R C 0.448 176.333 176.300 -0.692 0.000 1.103 510 R CA 1.172 56.919 56.100 -0.588 0.000 0.983 510 R CB -0.079 29.735 30.300 -0.810 0.000 0.874 510 R HN 0.570 nan 8.270 nan 0.000 0.451 511 Y N -1.407 118.808 120.300 -0.140 0.000 2.584 511 Y HA 0.492 5.043 4.550 0.001 0.000 0.254 511 Y C 0.565 176.354 175.900 -0.185 0.000 1.177 511 Y CA -0.006 57.997 58.100 -0.162 0.000 1.216 511 Y CB 1.424 39.770 38.460 -0.190 0.000 1.172 511 Y HN 0.122 nan 8.280 nan 0.000 0.529 512 G N -0.909 107.821 108.800 -0.116 0.000 2.466 512 G HA2 0.370 4.331 3.960 0.001 0.000 0.291 512 G HA3 0.370 4.331 3.960 0.001 0.000 0.291 512 G C -1.218 173.603 174.900 -0.132 0.000 1.460 512 G CA -0.920 44.105 45.100 -0.125 0.000 0.791 512 G HN -0.184 nan 8.290 nan 0.000 0.505 513 T N 0.467 114.948 114.554 -0.122 0.000 2.909 513 T HA 0.425 4.776 4.350 0.001 0.000 0.289 513 T C 0.042 174.668 174.700 -0.124 0.000 1.005 513 T CA -0.208 61.826 62.100 -0.110 0.000 1.084 513 T CB 1.516 70.334 68.868 -0.084 0.000 0.975 513 T HN 0.570 nan 8.240 nan 0.000 0.509 514 L N 4.607 125.764 121.223 -0.111 0.000 2.295 514 L HA 0.361 4.702 4.340 0.001 0.000 0.288 514 L C 0.820 177.614 176.870 -0.126 0.000 1.079 514 L CA -0.060 54.709 54.840 -0.119 0.000 0.830 514 L CB -0.438 41.570 42.059 -0.086 0.000 1.200 514 L HN 0.723 nan 8.230 nan 0.000 0.438 515 I N -0.029 120.425 120.570 -0.193 0.000 3.860 515 I HA 0.438 4.608 4.170 0.001 0.000 0.319 515 I C -0.115 175.861 176.117 -0.235 0.000 1.279 515 I CA 0.105 61.292 61.300 -0.187 0.000 1.220 515 I CB 0.178 38.063 38.000 -0.191 0.000 1.027 515 I HN 0.453 nan 8.210 nan 0.000 0.428 516 D N -0.206 120.024 120.400 -0.284 0.000 2.710 516 D HA 0.266 4.906 4.640 0.001 0.000 0.276 516 D C -1.069 175.132 176.300 -0.165 0.000 1.267 516 D CA -0.540 53.308 54.000 -0.254 0.000 0.772 516 D CB 1.259 41.910 40.800 -0.249 0.000 1.299 516 D HN 0.183 nan 8.370 nan 0.000 0.421 517 H N 1.061 120.140 119.070 0.016 0.000 3.034 517 H HA 0.144 4.701 4.556 0.001 0.000 0.324 517 H C 0.517 175.846 175.328 0.003 0.000 1.015 517 H CA 0.908 56.967 56.048 0.018 0.000 1.429 517 H CB -0.028 29.766 29.762 0.052 0.000 1.429 517 H HN 0.384 nan 8.280 nan 0.000 0.585 518 N N 0.538 119.308 118.700 0.116 0.000 2.778 518 N HA -0.211 4.530 4.740 0.001 0.000 0.249 518 N C -1.045 174.467 175.510 0.004 0.000 1.069 518 N CA 0.899 53.985 53.050 0.060 0.000 0.831 518 N CB -0.861 37.681 38.487 0.092 0.000 1.142 518 N HN 0.457 nan 8.380 nan 0.000 0.573 519 I N 0.576 121.100 120.570 -0.076 0.000 2.466 519 I HA 0.432 4.603 4.170 0.001 0.000 0.289 519 I C -0.512 175.457 176.117 -0.247 0.000 1.026 519 I CA -0.944 60.239 61.300 -0.196 0.000 1.078 519 I CB 1.966 39.728 38.000 -0.397 0.000 1.249 519 I HN -0.241 nan 8.210 nan 0.000 0.429 520 V N 4.664 124.459 119.914 -0.198 0.000 2.540 520 V HA 0.507 4.627 4.120 0.001 0.000 0.302 520 V C 0.477 176.451 176.094 -0.199 0.000 1.035 520 V CA -0.559 61.623 62.300 -0.196 0.000 0.873 520 V CB 1.982 33.711 31.823 -0.157 0.000 0.992 520 V HN 0.864 nan 8.190 nan 0.000 0.428 521 G N 2.558 111.243 108.800 -0.191 0.000 2.639 521 G HA2 0.327 4.287 3.960 0.001 0.000 0.312 521 G HA3 0.327 4.287 3.960 0.001 0.000 0.312 521 G C 0.276 175.116 174.900 -0.100 0.000 0.911 521 G CA -0.137 44.889 45.100 -0.123 0.000 1.410 521 G HN 0.661 nan 8.290 nan 0.000 0.469 522 T N 2.436 116.926 114.554 -0.106 0.000 2.866 522 T HA 0.064 4.415 4.350 0.001 0.000 0.293 522 T C 1.127 175.880 174.700 0.088 0.000 1.005 522 T CA 0.434 62.455 62.100 -0.133 0.000 1.162 522 T CB 0.400 68.962 68.868 -0.510 0.000 0.968 522 T HN 0.416 nan 8.240 nan 0.000 0.530 523 T N 5.768 120.306 114.554 -0.026 0.000 2.934 523 T HA 0.181 4.531 4.350 0.001 0.000 0.306 523 T C 0.363 174.990 174.700 -0.121 0.000 1.042 523 T CA -0.020 62.015 62.100 -0.109 0.000 1.145 523 T CB -0.085 68.703 68.868 -0.133 0.000 0.982 523 T HN 0.804 nan 8.240 nan 0.000 0.544 524 H N 0.690 119.499 119.070 -0.435 0.000 2.928 524 H HA 0.562 5.119 4.556 0.001 0.000 0.285 524 H C -1.161 173.896 175.328 -0.452 0.000 1.438 524 H CA -1.185 54.474 56.048 -0.648 0.000 1.176 524 H CB 1.088 30.018 29.762 -1.385 0.000 1.864 524 H HN 0.525 nan 8.280 nan 0.000 0.567 525 Q N -0.026 119.498 119.800 -0.460 0.000 2.451 525 Q HA 0.377 4.717 4.340 0.001 0.000 0.281 525 Q C -1.115 174.647 176.000 -0.397 0.000 1.099 525 Q CA -0.925 54.662 55.803 -0.360 0.000 0.806 525 Q CB 2.982 31.578 28.738 -0.236 0.000 1.419 525 Q HN 0.522 nan 8.270 nan 0.000 0.427 526 H N 1.473 120.502 119.070 -0.068 0.000 2.708 526 H HA 0.455 5.012 4.556 0.001 0.000 0.320 526 H C -0.832 174.297 175.328 -0.332 0.000 0.991 526 H CA -0.279 55.664 56.048 -0.175 0.000 1.243 526 H CB 0.926 30.628 29.762 -0.101 0.000 1.446 526 H HN 0.448 nan 8.280 nan 0.000 0.502 527 I N 4.770 125.170 120.570 -0.283 0.000 2.411 527 I HA 0.182 4.353 4.170 0.001 0.000 0.284 527 I C -0.763 175.246 176.117 -0.181 0.000 1.012 527 I CA -0.662 60.553 61.300 -0.142 0.000 1.119 527 I CB 0.830 38.803 38.000 -0.046 0.000 1.261 527 I HN 0.370 nan 8.210 nan 0.000 0.448 528 Y N 4.410 124.801 120.300 0.153 0.000 2.387 528 Y HA 0.412 4.963 4.550 0.001 0.000 0.330 528 Y C 0.197 176.091 175.900 -0.011 0.000 1.133 528 Y CA -0.708 57.413 58.100 0.036 0.000 1.152 528 Y CB 1.364 39.815 38.460 -0.015 0.000 1.215 528 Y HN 0.515 nan 8.280 nan 0.000 0.466 529 N N 1.219 119.901 118.700 -0.029 0.000 2.295 529 N HA 0.535 5.276 4.740 0.001 0.000 0.293 529 N C -2.133 173.227 175.510 -0.250 0.000 1.040 529 N CA -0.463 52.595 53.050 0.013 0.000 0.840 529 N CB 0.941 39.500 38.487 0.120 0.000 1.468 529 N HN 0.365 nan 8.380 nan 0.000 0.478 530 F N 1.433 121.526 119.950 0.239 0.000 2.458 530 F HA 0.460 4.987 4.527 0.001 0.000 0.336 530 F C 0.601 176.457 175.800 0.095 0.000 1.114 530 F CA -0.849 57.248 58.000 0.162 0.000 0.987 530 F CB 1.589 40.643 39.000 0.089 0.000 1.130 530 F HN 0.298 nan 8.300 nan 0.000 0.458 531 R N 5.050 125.622 120.500 0.120 0.000 2.215 531 R HA 0.618 4.959 4.340 0.001 0.000 0.336 531 R C -1.902 174.274 176.300 -0.206 0.000 0.996 531 R CA -0.373 55.524 56.100 -0.338 0.000 0.847 531 R CB 0.339 30.212 30.300 -0.712 0.000 1.127 531 R HN 0.827 nan 8.270 nan 0.000 0.465 532 L N 4.363 125.449 121.223 -0.229 0.000 2.345 532 L HA 0.276 4.616 4.340 0.001 0.000 0.274 532 L C -0.442 176.354 176.870 -0.124 0.000 0.999 532 L CA -0.903 53.879 54.840 -0.097 0.000 0.849 532 L CB 1.736 43.795 42.059 0.001 0.000 1.220 532 L HN 0.522 nan 8.230 nan 0.000 0.422 533 D N 4.529 124.877 120.400 -0.086 0.000 2.551 533 D HA 0.229 4.869 4.640 0.001 0.000 0.223 533 D C -0.072 176.263 176.300 0.058 0.000 1.144 533 D CA -0.013 53.987 54.000 -0.001 0.000 1.025 533 D CB 0.157 41.010 40.800 0.089 0.000 1.085 533 D HN 0.338 nan 8.370 nan 0.000 0.506 534 L N 1.746 122.987 121.223 0.030 0.000 2.397 534 L HA 0.255 4.596 4.340 0.001 0.000 0.271 534 L C 0.235 177.151 176.870 0.077 0.000 1.148 534 L CA -0.112 54.748 54.840 0.034 0.000 0.825 534 L CB 0.733 42.779 42.059 -0.020 0.000 1.117 534 L HN 0.102 nan 8.230 nan 0.000 0.456 535 D N 1.903 122.369 120.400 0.112 0.000 2.404 535 D HA 0.179 4.820 4.640 0.001 0.000 0.267 535 D C -0.500 175.844 176.300 0.073 0.000 1.194 535 D CA -0.265 53.795 54.000 0.100 0.000 0.910 535 D CB 1.643 42.533 40.800 0.151 0.000 1.090 535 D HN 0.033 nan 8.370 nan 0.000 0.511 536 V N 2.615 122.580 119.914 0.085 0.000 2.415 536 V HA -0.025 4.095 4.120 0.001 0.000 0.252 536 V C 1.064 177.273 176.094 0.192 0.000 1.043 536 V CA 0.148 62.557 62.300 0.181 0.000 1.149 536 V CB -0.199 31.763 31.823 0.232 0.000 1.143 536 V HN 0.572 nan 8.190 nan 0.000 0.478 537 D N 3.100 123.639 120.400 0.231 0.000 2.983 537 D HA -0.143 4.497 4.640 0.001 0.000 0.225 537 D C 0.377 176.644 176.300 -0.055 0.000 1.174 537 D CA 1.802 55.844 54.000 0.071 0.000 0.831 537 D CB -0.958 39.796 40.800 -0.077 0.000 1.104 537 D HN 1.168 nan 8.370 nan 0.000 0.421 538 G N -1.735 107.021 108.800 -0.073 0.000 2.339 538 G HA2 0.252 4.212 3.960 0.001 0.000 0.302 538 G HA3 0.252 4.212 3.960 0.001 0.000 0.302 538 G C 0.083 174.927 174.900 -0.092 0.000 1.425 538 G CA 0.145 45.170 45.100 -0.125 0.000 0.899 538 G HN -0.014 nan 8.290 nan 0.000 0.619 539 E N -0.102 120.034 120.200 -0.107 0.000 2.072 539 E HA -0.003 4.348 4.350 0.001 0.000 0.190 539 E C 1.012 177.593 176.600 -0.031 0.000 0.982 539 E CA 0.760 57.118 56.400 -0.069 0.000 0.803 539 E CB 0.046 29.697 29.700 -0.082 0.000 0.755 539 E HN 0.394 nan 8.360 nan 0.000 0.453 540 N N 2.117 120.801 118.700 -0.026 0.000 2.399 540 N HA 0.085 4.825 4.740 0.001 0.000 0.259 540 N C -0.715 174.801 175.510 0.010 0.000 1.160 540 N CA 0.125 53.172 53.050 -0.004 0.000 0.946 540 N CB 0.527 39.011 38.487 -0.006 0.000 1.156 540 N HN 0.081 nan 8.380 nan 0.000 0.489 541 N N -0.000 118.714 118.700 0.024 0.000 2.577 541 N HA 0.480 5.221 4.740 0.001 0.000 0.285 541 N C -0.689 174.844 175.510 0.039 0.000 1.309 541 N CA -0.437 52.635 53.050 0.036 0.000 0.798 541 N CB 1.447 39.964 38.487 0.049 0.000 1.463 541 N HN 0.192 nan 8.380 nan 0.000 0.518 542 S N 0.041 115.764 115.700 0.039 0.000 2.595 542 S HA 0.524 4.995 4.470 0.001 0.000 0.281 542 S C -1.380 173.239 174.600 0.032 0.000 1.117 542 S CA -0.543 57.679 58.200 0.037 0.000 0.873 542 S CB 1.932 65.149 63.200 0.029 0.000 1.108 542 S HN 0.403 nan 8.310 nan 0.000 0.477 543 L N 2.824 124.064 121.223 0.029 0.000 2.272 543 L HA 0.701 5.041 4.340 0.001 0.000 0.289 543 L C -1.263 175.589 176.870 -0.031 0.000 1.032 543 L CA -0.237 54.610 54.840 0.013 0.000 0.810 543 L CB 0.844 42.925 42.059 0.038 0.000 1.205 543 L HN 0.453 nan 8.230 nan 0.000 0.422 544 V N 4.640 124.508 119.914 -0.078 0.000 2.555 544 V HA 0.839 4.960 4.120 0.001 0.000 0.302 544 V C 0.084 176.027 176.094 -0.252 0.000 1.038 544 V CA -0.601 61.609 62.300 -0.151 0.000 0.887 544 V CB 1.432 33.180 31.823 -0.126 0.000 0.991 544 V HN 0.940 nan 8.190 nan 0.000 0.434 545 A N 5.968 128.525 122.820 -0.438 0.000 2.304 545 A HA 0.910 5.230 4.320 0.001 0.000 0.323 545 A C -0.480 176.804 177.584 -0.500 0.000 1.195 545 A CA -0.536 51.157 52.037 -0.573 0.000 0.826 545 A CB 0.855 19.211 19.000 -1.073 0.000 1.184 545 A HN 0.831 nan 8.150 nan 0.000 0.496 546 M N 3.032 122.443 119.600 -0.315 0.000 2.035 546 M HA 0.248 4.729 4.480 0.001 0.000 0.286 546 M C -1.601 174.632 176.300 -0.111 0.000 0.907 546 M CA -0.515 54.669 55.300 -0.193 0.000 0.935 546 M CB 1.649 34.130 32.600 -0.199 0.000 1.557 546 M HN 0.569 nan 8.290 nan 0.000 0.426 547 D N 5.081 125.463 120.400 -0.030 0.000 2.373 547 D HA 0.388 5.029 4.640 0.001 0.000 0.227 547 D C -2.466 173.850 176.300 0.027 0.000 1.091 547 D CA -1.449 52.559 54.000 0.013 0.000 0.840 547 D CB 1.280 42.130 40.800 0.084 0.000 1.060 547 D HN 0.136 nan 8.370 nan 0.000 0.502 548 P HA 0.058 nan 4.420 nan 0.000 0.267 548 P C -0.519 176.795 177.300 0.023 0.000 1.205 548 P CA -0.239 62.877 63.100 0.026 0.000 0.765 548 P CB 0.818 32.533 31.700 0.024 0.000 0.828 549 V N 0.971 120.902 119.914 0.027 0.000 3.114 549 V HA 0.555 4.675 4.120 0.001 0.000 0.308 549 V C -0.673 175.432 176.094 0.019 0.000 1.168 549 V CA -1.099 61.214 62.300 0.022 0.000 1.015 549 V CB 2.197 34.035 31.823 0.025 0.000 1.050 549 V HN 0.083 nan 8.190 nan 0.000 0.433 550 V N 2.879 122.801 119.914 0.014 0.000 2.350 550 V HA 0.514 4.635 4.120 0.001 0.000 0.276 550 V C 0.103 176.204 176.094 0.011 0.000 1.028 550 V CA -0.452 61.856 62.300 0.012 0.000 0.860 550 V CB 1.003 32.832 31.823 0.009 0.000 0.990 550 V HN 0.886 nan 8.190 nan 0.000 0.453 551 K N 5.256 125.663 120.400 0.012 0.000 2.203 551 K HA 0.520 4.841 4.320 0.001 0.000 0.251 551 K C -2.789 173.816 176.600 0.008 0.000 0.944 551 K CA -2.132 54.161 56.287 0.010 0.000 0.829 551 K CB 2.207 34.714 32.500 0.012 0.000 1.125 551 K HN 0.261 nan 8.250 nan 0.000 0.430 552 P HA -0.070 nan 4.420 nan 0.000 0.265 552 P C -0.377 176.926 177.300 0.006 0.000 1.193 552 P CA 0.203 63.306 63.100 0.005 0.000 0.765 552 P CB 0.341 32.043 31.700 0.004 0.000 0.823 553 N N 1.901 120.604 118.700 0.006 0.000 2.520 553 N HA 0.128 4.869 4.740 0.001 0.000 0.273 553 N C -0.037 175.476 175.510 0.005 0.000 1.155 553 N CA -0.075 52.979 53.050 0.006 0.000 0.967 553 N CB 0.411 38.901 38.487 0.005 0.000 1.092 553 N HN 0.359 nan 8.380 nan 0.000 0.457 554 T N 0.206 114.763 114.554 0.005 0.000 3.487 554 T HA 0.428 4.779 4.350 0.001 0.000 0.287 554 T C 0.306 175.009 174.700 0.005 0.000 1.004 554 T CA -0.459 61.644 62.100 0.005 0.000 0.977 554 T CB 0.342 69.213 68.868 0.005 0.000 1.180 554 T HN 0.443 nan 8.240 nan 0.000 0.490 555 A N 0.365 123.188 122.820 0.004 0.000 2.508 555 A HA 0.833 5.154 4.320 0.001 0.000 0.250 555 A C 1.309 178.895 177.584 0.003 0.000 1.208 555 A CA 0.124 52.164 52.037 0.004 0.000 0.960 555 A CB -0.165 18.838 19.000 0.005 0.000 1.099 555 A HN 1.650 nan 8.150 nan 0.000 0.542 556 G N -1.549 107.253 108.800 0.003 0.000 2.756 556 G HA2 0.496 4.457 3.960 0.001 0.000 0.678 556 G HA3 0.496 4.457 3.960 0.001 0.000 0.678 556 G C 0.790 175.691 174.900 0.003 0.000 1.349 556 G CA -0.023 45.078 45.100 0.003 0.000 0.847 556 G HN 2.516 nan 8.290 nan 0.000 0.548 557 G N -1.317 107.485 108.800 0.002 0.000 2.710 557 G HA2 0.299 4.259 3.960 0.001 0.000 0.668 557 G HA3 0.299 4.259 3.960 0.001 0.000 0.668 557 G C -0.821 174.080 174.900 0.002 0.000 1.320 557 G CA 0.484 45.585 45.100 0.002 0.000 0.860 557 G HN 1.398 nan 8.290 nan 0.000 0.538 558 P HA 0.035 nan 4.420 nan 0.000 0.220 558 P C 0.961 178.262 177.300 0.003 0.000 1.148 558 P CA 0.710 63.811 63.100 0.002 0.000 0.803 558 P CB 0.076 31.777 31.700 0.002 0.000 0.782 559 R N -0.018 120.484 120.500 0.003 0.000 2.594 559 R HA 0.120 4.460 4.340 0.001 0.000 0.272 559 R C 1.420 177.722 176.300 0.004 0.000 1.074 559 R CA 0.809 56.911 56.100 0.004 0.000 1.105 559 R CB -0.209 30.093 30.300 0.004 0.000 1.008 559 R HN 0.192 nan 8.270 nan 0.000 0.472 560 T N -2.708 111.849 114.554 0.004 0.000 3.051 560 T HA 0.028 4.378 4.350 0.001 0.000 0.255 560 T C 0.796 175.499 174.700 0.004 0.000 1.085 560 T CA 0.194 62.296 62.100 0.004 0.000 1.109 560 T CB 0.213 69.083 68.868 0.003 0.000 0.921 560 T HN 0.554 nan 8.240 nan 0.000 0.488 561 S N 0.811 116.515 115.700 0.005 0.000 2.667 561 S HA 0.761 5.232 4.470 0.001 0.000 0.292 561 S C -0.552 174.053 174.600 0.008 0.000 1.126 561 S CA -0.547 57.657 58.200 0.006 0.000 0.881 561 S CB 1.971 65.175 63.200 0.007 0.000 1.132 561 S HN 0.696 nan 8.310 nan 0.000 0.492 562 T N -2.078 112.482 114.554 0.009 0.000 2.841 562 T HA 0.694 5.045 4.350 0.001 0.000 0.296 562 T C -0.979 173.729 174.700 0.014 0.000 1.166 562 T CA -0.942 61.165 62.100 0.011 0.000 1.007 562 T CB 1.182 70.057 68.868 0.012 0.000 1.253 562 T HN 0.621 nan 8.240 nan 0.000 0.511 563 M N 2.006 121.616 119.600 0.016 0.000 2.101 563 M HA 0.448 4.929 4.480 0.001 0.000 0.340 563 M C -0.265 176.050 176.300 0.025 0.000 1.057 563 M CA -0.438 54.875 55.300 0.021 0.000 0.984 563 M CB 1.586 34.200 32.600 0.022 0.000 1.560 563 M HN 0.658 nan 8.290 nan 0.000 0.435 564 Q N 1.377 121.194 119.800 0.028 0.000 3.022 564 Q HA 0.832 5.172 4.340 0.001 0.000 0.313 564 Q C -1.378 174.646 176.000 0.041 0.000 1.018 564 Q CA -1.132 54.691 55.803 0.034 0.000 0.799 564 Q CB 3.135 31.891 28.738 0.030 0.000 1.498 564 Q HN 0.462 nan 8.270 nan 0.000 0.494 565 V N 1.343 121.285 119.914 0.047 0.000 2.841 565 V HA 0.342 4.463 4.120 0.001 0.000 0.310 565 V C -1.264 174.867 176.094 0.063 0.000 1.090 565 V CA -0.981 61.350 62.300 0.051 0.000 0.930 565 V CB 2.218 34.074 31.823 0.055 0.000 1.014 565 V HN 0.634 nan 8.190 nan 0.000 0.425 566 N N 3.757 122.508 118.700 0.084 0.000 2.414 566 N HA 0.292 5.032 4.740 0.001 0.000 0.256 566 N C -0.608 174.999 175.510 0.160 0.000 1.029 566 N CA -0.122 53.013 53.050 0.141 0.000 0.948 566 N CB 1.804 40.405 38.487 0.189 0.000 1.102 566 N HN 0.721 nan 8.380 nan 0.000 0.496 567 Q N 2.921 122.804 119.800 0.139 0.000 2.322 567 Q HA 0.369 4.709 4.340 0.001 0.000 0.265 567 Q C -1.577 174.512 176.000 0.149 0.000 0.985 567 Q CA -0.752 55.078 55.803 0.046 0.000 0.849 567 Q CB 0.794 29.543 28.738 0.017 0.000 1.274 567 Q HN 0.603 nan 8.270 nan 0.000 0.449 568 Y N 0.565 120.862 120.300 -0.005 0.000 2.581 568 Y HA 0.533 5.084 4.550 0.001 0.000 0.337 568 Y C -1.291 174.609 175.900 0.001 0.000 1.108 568 Y CA -1.533 56.567 58.100 0.000 0.000 1.033 568 Y CB 0.712 39.172 38.460 0.001 0.000 1.318 568 Y HN 0.460 nan 8.280 nan 0.000 0.459 569 N N 1.189 119.959 118.700 0.117 0.000 2.483 569 N HA 0.503 5.244 4.740 0.001 0.000 0.269 569 N C -1.108 174.471 175.510 0.116 0.000 1.209 569 N CA -0.457 52.623 53.050 0.049 0.000 0.969 569 N CB 1.016 39.536 38.487 0.055 0.000 1.173 569 N HN 0.707 nan 8.380 nan 0.000 0.475 570 I N 0.864 121.475 120.570 0.069 0.000 2.371 570 I HA 0.252 4.422 4.170 0.001 0.000 0.282 570 I C 1.287 177.452 176.117 0.080 0.000 1.031 570 I CA -0.397 60.962 61.300 0.098 0.000 1.180 570 I CB 1.260 39.303 38.000 0.072 0.000 1.336 570 I HN 0.695 nan 8.210 nan 0.000 0.467 571 G N 5.990 114.840 108.800 0.084 0.000 2.511 571 G HA2 -0.058 3.903 3.960 0.001 0.000 0.217 571 G HA3 -0.058 3.903 3.960 0.001 0.000 0.217 571 G C 0.476 175.418 174.900 0.070 0.000 1.133 571 G CA 0.099 45.241 45.100 0.070 0.000 0.792 571 G HN 0.682 nan 8.290 nan 0.000 0.539 572 N N -0.975 117.770 118.700 0.074 0.000 2.455 572 N HA 0.169 4.910 4.740 0.001 0.000 0.278 572 N C 0.150 175.714 175.510 0.090 0.000 1.291 572 N CA -0.525 52.572 53.050 0.079 0.000 0.780 572 N CB 1.299 39.827 38.487 0.069 0.000 1.520 572 N HN 0.009 nan 8.380 nan 0.000 0.486 573 E N 0.163 120.427 120.200 0.107 0.000 2.097 573 E HA -0.290 4.061 4.350 0.001 0.000 0.196 573 E C 1.237 177.903 176.600 0.110 0.000 1.000 573 E CA 1.697 58.177 56.400 0.133 0.000 0.804 573 E CB -0.026 29.771 29.700 0.162 0.000 0.740 573 E HN 0.542 nan 8.360 nan 0.000 0.454 574 Q N 0.907 120.757 119.800 0.084 0.000 2.084 574 Q HA -0.151 4.190 4.340 0.001 0.000 0.202 574 Q C 1.443 177.451 176.000 0.014 0.000 0.978 574 Q CA 1.518 57.351 55.803 0.050 0.000 0.844 574 Q CB 0.098 28.864 28.738 0.047 0.000 0.898 574 Q HN 0.244 nan 8.270 nan 0.000 0.426 575 D N -1.042 119.377 120.400 0.031 0.000 2.317 575 D HA 0.000 4.641 4.640 0.001 0.000 0.211 575 D C 1.124 177.437 176.300 0.021 0.000 0.966 575 D CA 0.910 54.925 54.000 0.025 0.000 0.876 575 D CB 0.127 40.959 40.800 0.054 0.000 0.927 575 D HN 0.338 nan 8.370 nan 0.000 0.519 576 A N 0.846 123.687 122.820 0.035 0.000 2.119 576 A HA 0.247 4.567 4.320 0.001 0.000 0.216 576 A C 1.457 179.023 177.584 -0.030 0.000 1.152 576 A CA 0.420 52.485 52.037 0.047 0.000 0.708 576 A CB 0.008 19.071 19.000 0.105 0.000 0.805 576 A HN 0.141 nan 8.150 nan 0.000 0.460 577 A N 1.089 123.828 122.820 -0.135 0.000 2.539 577 A HA 0.516 4.836 4.320 0.001 0.000 0.306 577 A C 0.211 177.520 177.584 -0.458 0.000 1.392 577 A CA -0.216 51.526 52.037 -0.491 0.000 1.060 577 A CB -0.517 18.069 19.000 -0.691 0.000 1.134 577 A HN 0.685 nan 8.150 nan 0.000 0.542 578 Q N 1.612 121.188 119.800 -0.372 0.000 2.693 578 Q HA 0.559 4.899 4.340 0.001 0.000 0.306 578 Q C -1.138 174.797 176.000 -0.109 0.000 0.969 578 Q CA -1.314 54.368 55.803 -0.202 0.000 0.757 578 Q CB 0.887 29.587 28.738 -0.063 0.000 1.494 578 Q HN 0.279 nan 8.270 nan 0.000 0.459 579 K N 0.479 120.861 120.400 -0.030 0.000 2.126 579 K HA 0.395 4.716 4.320 0.001 0.000 0.257 579 K C -1.067 175.615 176.600 0.136 0.000 1.007 579 K CA -0.277 56.034 56.287 0.041 0.000 0.928 579 K CB 0.524 33.037 32.500 0.022 0.000 1.013 579 K HN 0.592 nan 8.250 nan 0.000 0.473 580 F N 1.739 121.698 119.950 0.016 0.000 2.449 580 F HA 0.166 4.694 4.527 0.001 0.000 0.342 580 F C -0.405 175.425 175.800 0.050 0.000 1.127 580 F CA -1.187 56.839 58.000 0.044 0.000 0.975 580 F CB 1.138 40.192 39.000 0.090 0.000 1.146 580 F HN 0.354 nan 8.300 nan 0.000 0.444 581 D N 8.694 128.764 120.400 -0.550 0.000 2.317 581 D HA 0.302 4.942 4.640 0.001 0.000 0.234 581 D C -1.880 173.871 176.300 -0.915 0.000 1.112 581 D CA -2.649 51.067 54.000 -0.473 0.000 0.840 581 D CB 2.014 42.653 40.800 -0.267 0.000 1.078 581 D HN 0.293 nan 8.370 nan 0.000 0.486 582 P HA -0.019 nan 4.420 nan 0.000 0.228 582 P C 1.114 178.306 177.300 -0.180 0.000 1.151 582 P CA 0.473 63.379 63.100 -0.323 0.000 0.770 582 P CB 0.251 32.067 31.700 0.192 0.000 0.786 583 G N -0.278 108.406 108.800 -0.193 0.000 2.623 583 G HA2 -0.028 3.933 3.960 0.001 0.000 0.214 583 G HA3 -0.028 3.933 3.960 0.001 0.000 0.214 583 G C 0.783 175.618 174.900 -0.109 0.000 1.138 583 G CA 0.683 45.726 45.100 -0.096 0.000 0.794 583 G HN 0.443 nan 8.290 nan 0.000 0.535 584 T N -1.713 112.716 114.554 -0.208 0.000 2.923 584 T HA 0.706 5.056 4.350 0.001 0.000 0.281 584 T C -0.394 174.243 174.700 -0.105 0.000 0.995 584 T CA -0.837 61.173 62.100 -0.150 0.000 0.985 584 T CB 2.087 70.854 68.868 -0.168 0.000 1.114 584 T HN -0.067 nan 8.240 nan 0.000 0.548 585 I N 1.144 121.658 120.570 -0.093 0.000 2.436 585 I HA 0.480 4.651 4.170 0.001 0.000 0.289 585 I C -0.014 176.021 176.117 -0.137 0.000 1.010 585 I CA -1.022 60.203 61.300 -0.123 0.000 1.098 585 I CB 1.727 39.540 38.000 -0.311 0.000 1.266 585 I HN 0.443 nan 8.210 nan 0.000 0.434 586 R N 7.355 127.829 120.500 -0.043 0.000 2.439 586 R HA 0.680 5.021 4.340 0.001 0.000 0.310 586 R C -1.291 174.939 176.300 -0.118 0.000 0.955 586 R CA -0.747 55.323 56.100 -0.050 0.000 0.853 586 R CB 2.079 32.430 30.300 0.084 0.000 1.171 586 R HN 0.552 nan 8.270 nan 0.000 0.449 587 L N 3.143 124.265 121.223 -0.167 0.000 2.354 587 L HA 0.525 4.865 4.340 0.001 0.000 0.269 587 L C -0.488 176.358 176.870 -0.041 0.000 1.005 587 L CA -1.307 53.449 54.840 -0.140 0.000 0.819 587 L CB 1.945 43.849 42.059 -0.258 0.000 1.311 587 L HN 0.260 nan 8.230 nan 0.000 0.423 588 L N 1.989 123.229 121.223 0.028 0.000 2.272 588 L HA 0.454 4.794 4.340 0.001 0.000 0.284 588 L C -0.240 176.683 176.870 0.089 0.000 1.045 588 L CA 0.520 55.398 54.840 0.064 0.000 0.842 588 L CB 0.966 43.075 42.059 0.083 0.000 1.224 588 L HN 0.537 nan 8.230 nan 0.000 0.430 589 S N 3.308 119.044 115.700 0.060 0.000 2.681 589 S HA 0.488 4.959 4.470 0.001 0.000 0.299 589 S C -0.461 174.180 174.600 0.068 0.000 1.113 589 S CA -0.740 57.506 58.200 0.077 0.000 1.013 589 S CB 1.321 64.544 63.200 0.038 0.000 1.076 589 S HN 0.634 nan 8.310 nan 0.000 0.534 590 N N 2.320 121.059 118.700 0.065 0.000 2.546 590 N HA 0.273 5.014 4.740 0.001 0.000 0.238 590 N C -2.092 173.427 175.510 0.015 0.000 0.984 590 N CA -2.051 51.020 53.050 0.035 0.000 0.935 590 N CB 1.361 39.860 38.487 0.020 0.000 1.122 590 N HN 0.229 nan 8.380 nan 0.000 0.510 591 P HA -0.012 nan 4.420 nan 0.000 0.234 591 P C 0.085 177.384 177.300 -0.002 0.000 1.167 591 P CA 0.779 63.884 63.100 0.009 0.000 0.763 591 P CB 0.495 32.203 31.700 0.013 0.000 0.835 592 N N -0.314 118.380 118.700 -0.011 0.000 2.282 592 N HA 0.077 4.818 4.740 0.001 0.000 0.185 592 N C 0.458 175.947 175.510 -0.035 0.000 1.099 592 N CA 0.356 53.393 53.050 -0.021 0.000 0.878 592 N CB 0.718 39.191 38.487 -0.024 0.000 0.993 592 N HN 0.272 nan 8.380 nan 0.000 0.481 593 K N 1.127 121.501 120.400 -0.043 0.000 2.468 593 K HA 0.363 4.684 4.320 0.001 0.000 0.252 593 K C -0.709 175.847 176.600 -0.072 0.000 0.932 593 K CA -0.381 55.864 56.287 -0.070 0.000 0.794 593 K CB 2.551 34.989 32.500 -0.104 0.000 1.241 593 K HN 0.019 nan 8.250 nan 0.000 0.428 594 E N 1.215 121.371 120.200 -0.074 0.000 2.281 594 E HA 0.189 4.540 4.350 0.001 0.000 0.262 594 E C -0.560 175.984 176.600 -0.093 0.000 0.933 594 E CA -0.933 55.427 56.400 -0.065 0.000 0.809 594 E CB 1.834 31.512 29.700 -0.038 0.000 1.242 594 E HN 0.650 nan 8.360 nan 0.000 0.418 595 N N -0.122 118.530 118.700 -0.080 0.000 2.418 595 N HA 0.115 4.856 4.740 0.001 0.000 0.283 595 N C 0.910 176.385 175.510 -0.057 0.000 1.267 595 N CA -0.740 52.257 53.050 -0.089 0.000 0.975 595 N CB 1.023 39.461 38.487 -0.082 0.000 1.167 595 N HN 0.368 nan 8.380 nan 0.000 0.581 596 R N -1.008 119.464 120.500 -0.046 0.000 2.200 596 R HA -0.044 4.296 4.340 0.001 0.000 0.234 596 R C 0.783 177.065 176.300 -0.029 0.000 1.127 596 R CA 1.407 57.486 56.100 -0.034 0.000 0.989 596 R CB -0.127 30.156 30.300 -0.028 0.000 0.869 596 R HN 0.615 nan 8.270 nan 0.000 0.459 597 M N -0.613 118.969 119.600 -0.029 0.000 2.453 597 M HA 0.285 4.765 4.480 0.001 0.000 0.239 597 M C 0.822 177.113 176.300 -0.016 0.000 1.151 597 M CA 0.521 55.808 55.300 -0.023 0.000 0.989 597 M CB 1.187 33.771 32.600 -0.027 0.000 1.548 597 M HN 0.364 nan 8.290 nan 0.000 0.479 598 G N 0.388 109.178 108.800 -0.018 0.000 2.159 598 G HA2 -0.282 3.678 3.960 0.001 0.000 0.256 598 G HA3 -0.282 3.678 3.960 0.001 0.000 0.256 598 G C 0.042 174.942 174.900 0.000 0.000 0.977 598 G CA 0.017 45.111 45.100 -0.011 0.000 0.652 598 G HN 0.520 nan 8.290 nan 0.000 0.531 599 N N 1.440 120.143 118.700 0.004 0.000 2.498 599 N HA 0.535 5.275 4.740 0.001 0.000 0.287 599 N C -2.727 172.798 175.510 0.026 0.000 1.097 599 N CA -1.669 51.400 53.050 0.032 0.000 0.973 599 N CB 1.409 39.932 38.487 0.059 0.000 1.153 599 N HN -0.011 nan 8.380 nan 0.000 0.472 600 P HA -0.045 nan 4.420 nan 0.000 0.263 600 P C -0.514 176.821 177.300 0.058 0.000 1.195 600 P CA -0.299 62.822 63.100 0.035 0.000 0.762 600 P CB 0.369 32.096 31.700 0.045 0.000 0.799 601 V N 1.824 121.739 119.914 0.003 0.000 2.529 601 V HA 0.399 4.520 4.120 0.001 0.000 0.292 601 V C 0.043 176.247 176.094 0.182 0.000 1.028 601 V CA 0.457 62.759 62.300 0.003 0.000 1.074 601 V CB -0.151 31.520 31.823 -0.253 0.000 0.958 601 V HN 0.468 nan 8.190 nan 0.000 0.481 602 S N 3.080 118.961 115.700 0.301 0.000 2.671 602 S HA 0.751 5.222 4.470 0.001 0.000 0.277 602 S C -1.513 173.276 174.600 0.316 0.000 1.165 602 S CA -0.502 57.887 58.200 0.315 0.000 0.822 602 S CB 1.697 65.025 63.200 0.212 0.000 1.150 602 S HN 0.728 nan 8.310 nan 0.000 0.479 603 Y N 1.786 122.155 120.300 0.114 0.000 2.376 603 Y HA 0.440 4.991 4.550 0.001 0.000 0.340 603 Y C 0.082 176.002 175.900 0.034 0.000 0.965 603 Y CA -0.547 57.588 58.100 0.057 0.000 1.078 603 Y CB 1.662 40.112 38.460 -0.017 0.000 1.193 603 Y HN 0.614 nan 8.280 nan 0.000 0.452 604 Q N 4.459 124.330 119.800 0.119 0.000 2.267 604 Q HA 0.515 4.856 4.340 0.001 0.000 0.255 604 Q C -1.335 174.703 176.000 0.064 0.000 0.923 604 Q CA -0.367 55.453 55.803 0.029 0.000 0.925 604 Q CB 0.733 29.515 28.738 0.072 0.000 1.195 604 Q HN 0.720 nan 8.270 nan 0.000 0.417 605 I N 5.698 126.278 120.570 0.017 0.000 2.321 605 I HA 0.304 4.475 4.170 0.001 0.000 0.291 605 I C -0.411 175.623 176.117 -0.138 0.000 0.998 605 I CA -0.605 60.679 61.300 -0.028 0.000 1.227 605 I CB 1.065 39.055 38.000 -0.015 0.000 1.368 605 I HN 0.622 nan 8.210 nan 0.000 0.466 606 I N 8.584 129.041 120.570 -0.189 0.000 2.595 606 I HA 0.246 4.417 4.170 0.001 0.000 0.275 606 I C -1.824 174.075 176.117 -0.363 0.000 1.092 606 I CA -1.432 59.664 61.300 -0.340 0.000 1.145 606 I CB 1.436 39.401 38.000 -0.060 0.000 1.276 606 I HN 0.339 nan 8.210 nan 0.000 0.497 607 P HA -0.134 nan 4.420 nan 0.000 0.226 607 P C -0.254 177.058 177.300 0.020 0.000 1.153 607 P CA 1.128 64.097 63.100 -0.217 0.000 0.777 607 P CB 0.020 31.603 31.700 -0.196 0.000 0.794 608 Y N -0.039 120.183 120.300 -0.130 0.000 2.445 608 Y HA 0.606 5.157 4.550 0.001 0.000 0.332 608 Y C 0.004 176.023 175.900 0.199 0.000 1.037 608 Y CA -1.460 56.727 58.100 0.145 0.000 1.296 608 Y CB 0.722 39.369 38.460 0.313 0.000 1.099 608 Y HN -0.158 nan 8.280 nan 0.000 0.496 609 A N 3.598 126.196 122.820 -0.371 0.000 2.535 609 A HA 0.714 5.035 4.320 0.001 0.000 0.273 609 A C 0.798 178.164 177.584 -0.363 0.000 1.267 609 A CA 0.277 52.139 52.037 -0.291 0.000 0.940 609 A CB -0.603 18.342 19.000 -0.092 0.000 1.101 609 A HN 1.570 nan 8.150 nan 0.000 0.521 610 G N -2.298 105.982 108.800 -0.868 0.000 2.440 610 G HA2 0.517 4.478 3.960 0.001 0.000 0.684 610 G HA3 0.517 4.478 3.960 0.001 0.000 0.684 610 G C -0.250 174.683 174.900 0.055 0.000 1.309 610 G CA -0.313 44.606 45.100 -0.303 0.000 0.931 610 G HN 1.853 nan 8.290 nan 0.000 0.612 611 G N -2.052 106.849 108.800 0.168 0.000 2.547 611 G HA2 0.766 4.726 3.960 0.001 0.000 0.291 611 G HA3 0.766 4.726 3.960 0.001 0.000 0.291 611 G C 0.450 175.437 174.900 0.146 0.000 1.471 611 G CA 0.929 46.096 45.100 0.111 0.000 0.798 611 G HN 1.997 nan 8.290 nan 0.000 0.504 612 T N -2.650 111.965 114.554 0.103 0.000 3.069 612 T HA 0.322 4.672 4.350 0.001 0.000 0.252 612 T C 0.457 175.225 174.700 0.113 0.000 1.053 612 T CA 0.422 62.579 62.100 0.095 0.000 0.964 612 T CB 0.044 68.949 68.868 0.063 0.000 1.005 612 T HN 0.431 nan 8.240 nan 0.000 0.532 613 H N 1.417 120.507 119.070 0.033 0.000 2.710 613 H HA 0.607 5.163 4.556 0.001 0.000 0.361 613 H C -2.639 172.713 175.328 0.039 0.000 1.175 613 H CA -2.470 53.577 56.048 -0.001 0.000 1.206 613 H CB 1.440 31.173 29.762 -0.049 0.000 1.750 613 H HN 0.009 nan 8.280 nan 0.000 0.553 614 P HA -0.027 nan 4.420 nan 0.000 0.267 614 P C -0.563 176.774 177.300 0.060 0.000 1.200 614 P CA -0.027 63.101 63.100 0.048 0.000 0.772 614 P CB 0.568 32.249 31.700 -0.031 0.000 0.855 615 V N 2.364 122.305 119.914 0.045 0.000 2.686 615 V HA 0.579 4.700 4.120 0.001 0.000 0.295 615 V C -0.161 175.915 176.094 -0.030 0.000 1.057 615 V CA -0.629 61.682 62.300 0.018 0.000 1.012 615 V CB 0.868 32.632 31.823 -0.098 0.000 1.006 615 V HN 0.677 nan 8.190 nan 0.000 0.477 616 A N 5.513 128.327 122.820 -0.011 0.000 2.309 616 A HA 0.499 4.820 4.320 0.001 0.000 0.290 616 A C 0.632 178.193 177.584 -0.038 0.000 1.206 616 A CA -0.495 51.524 52.037 -0.030 0.000 0.850 616 A CB 0.312 19.305 19.000 -0.012 0.000 1.118 616 A HN 0.942 nan 8.150 nan 0.000 0.523 617 K N 2.300 122.673 120.400 -0.046 0.000 2.410 617 K HA 0.403 4.724 4.320 0.001 0.000 0.200 617 K C 0.649 177.248 176.600 -0.001 0.000 1.023 617 K CA 0.518 56.782 56.287 -0.039 0.000 1.149 617 K CB 0.262 32.733 32.500 -0.047 0.000 0.859 617 K HN 0.984 nan 8.250 nan 0.000 0.514 618 G N 0.653 109.458 108.800 0.009 0.000 2.359 618 G HA2 0.331 4.291 3.960 0.001 0.000 0.293 618 G HA3 0.331 4.291 3.960 0.001 0.000 0.293 618 G C -1.717 173.196 174.900 0.022 0.000 1.300 618 G CA -0.654 44.471 45.100 0.040 0.000 0.888 618 G HN 0.115 nan 8.290 nan 0.000 0.541 619 A N -0.332 122.531 122.820 0.071 0.000 2.388 619 A HA 0.612 4.933 4.320 0.001 0.000 0.257 619 A C 0.460 178.033 177.584 -0.018 0.000 1.095 619 A CA -0.082 51.980 52.037 0.042 0.000 0.791 619 A CB 0.540 19.671 19.000 0.219 0.000 1.029 619 A HN 0.461 nan 8.150 nan 0.000 0.489 620 Q N 1.481 121.129 119.800 -0.252 0.000 3.184 620 Q HA 0.311 4.651 4.340 0.001 0.000 0.288 620 Q C -1.610 174.145 176.000 -0.409 0.000 1.412 620 Q CA 0.585 56.221 55.803 -0.278 0.000 0.991 620 Q CB -0.722 27.837 28.738 -0.298 0.000 1.688 620 Q HN 0.505 nan 8.270 nan 0.000 0.554 621 F N -0.524 119.440 119.950 0.024 0.000 2.578 621 F HA 0.549 5.076 4.527 0.001 0.000 0.311 621 F C 0.344 176.062 175.800 -0.136 0.000 1.094 621 F CA -1.517 56.484 58.000 0.003 0.000 0.923 621 F CB 1.131 40.194 39.000 0.105 0.000 1.230 621 F HN 0.120 nan 8.300 nan 0.000 0.450 622 A N 3.290 126.153 122.820 0.073 0.000 2.466 622 A HA 0.384 4.704 4.320 0.001 0.000 0.238 622 A C -1.748 175.638 177.584 -0.330 0.000 1.074 622 A CA -0.880 51.094 52.037 -0.104 0.000 0.774 622 A CB -0.218 18.754 19.000 -0.046 0.000 1.015 622 A HN 0.594 nan 8.150 nan 0.000 0.498 623 P HA -0.104 nan 4.420 nan 0.000 0.222 623 P C 0.387 177.476 177.300 -0.352 0.000 1.147 623 P CA 1.428 64.084 63.100 -0.740 0.000 0.790 623 P CB -0.007 31.448 31.700 -0.407 0.000 0.780 624 D N -1.502 118.768 120.400 -0.216 0.000 2.319 624 D HA -0.022 4.619 4.640 0.001 0.000 0.230 624 D C 0.249 176.448 176.300 -0.168 0.000 1.094 624 D CA 0.133 54.030 54.000 -0.172 0.000 0.856 624 D CB -0.357 40.364 40.800 -0.131 0.000 0.915 624 D HN 0.114 nan 8.370 nan 0.000 0.517 625 E N -0.378 119.757 120.200 -0.107 0.000 2.319 625 E HA 0.060 4.411 4.350 0.001 0.000 0.268 625 E C 0.219 176.765 176.600 -0.090 0.000 1.050 625 E CA -0.539 55.830 56.400 -0.053 0.000 0.878 625 E CB 0.875 30.542 29.700 -0.055 0.000 1.066 625 E HN 0.219 nan 8.360 nan 0.000 0.406 626 W N 1.481 122.745 121.300 -0.060 0.000 2.409 626 W HA -0.026 4.634 4.660 0.001 0.000 0.299 626 W C 2.115 178.586 176.519 -0.081 0.000 1.203 626 W CA 0.122 57.438 57.345 -0.049 0.000 1.298 626 W CB -0.091 29.242 29.460 -0.212 0.000 1.127 626 W HN 0.562 nan 8.180 nan 0.000 0.528 627 I N -0.053 120.482 120.570 -0.058 0.000 2.399 627 I HA -0.374 3.797 4.170 0.001 0.000 0.254 627 I C 2.074 178.106 176.117 -0.141 0.000 1.146 627 I CA 1.589 62.781 61.300 -0.180 0.000 1.412 627 I CB -0.251 37.498 38.000 -0.418 0.000 1.076 627 I HN 0.106 nan 8.210 nan 0.000 0.432 628 Y N 0.007 120.166 120.300 -0.236 0.000 2.457 628 Y HA -0.257 4.293 4.550 0.001 0.000 0.292 628 Y C 2.441 178.333 175.900 -0.014 0.000 1.125 628 Y CA 1.981 60.021 58.100 -0.100 0.000 1.254 628 Y CB -0.130 38.294 38.460 -0.060 0.000 1.012 628 Y HN 0.366 nan 8.280 nan 0.000 0.555 629 H N -0.456 118.619 119.070 0.009 0.000 2.361 629 H HA 0.116 4.673 4.556 0.001 0.000 0.308 629 H C 2.138 177.474 175.328 0.012 0.000 1.053 629 H CA 1.393 57.432 56.048 -0.014 0.000 1.377 629 H CB -0.036 29.682 29.762 -0.073 0.000 1.434 629 H HN 0.077 nan 8.280 nan 0.000 0.548 630 R N -0.096 120.458 120.500 0.091 0.000 2.159 630 R HA 0.015 4.356 4.340 0.001 0.000 0.237 630 R C -0.106 176.131 176.300 -0.104 0.000 1.131 630 R CA 0.999 57.103 56.100 0.007 0.000 0.982 630 R CB -0.039 30.337 30.300 0.127 0.000 0.868 630 R HN 0.248 nan 8.270 nan 0.000 0.453 631 L N 0.201 121.357 121.223 -0.111 0.000 2.376 631 L HA 0.241 4.582 4.340 0.001 0.000 0.275 631 L C 0.375 177.108 176.870 -0.228 0.000 0.987 631 L CA -0.428 54.354 54.840 -0.096 0.000 0.828 631 L CB 2.315 44.337 42.059 -0.062 0.000 1.249 631 L HN -0.002 nan 8.230 nan 0.000 0.409 632 S N 1.066 116.670 115.700 -0.160 0.000 2.497 632 S HA -0.039 4.431 4.470 0.001 0.000 0.218 632 S C 1.483 176.097 174.600 0.024 0.000 1.023 632 S CA -0.195 57.923 58.200 -0.136 0.000 0.913 632 S CB -0.147 63.056 63.200 0.006 0.000 0.800 632 S HN 0.689 nan 8.310 nan 0.000 0.505 633 F N 3.449 123.282 119.950 -0.195 0.000 2.307 633 F HA -0.030 4.497 4.527 0.001 0.000 0.301 633 F C 1.904 177.793 175.800 0.149 0.000 1.076 633 F CA 0.813 58.731 58.000 -0.136 0.000 1.383 633 F CB -1.089 37.661 39.000 -0.416 0.000 1.055 633 F HN 0.110 nan 8.300 nan 0.000 0.526 634 M N -0.071 119.094 119.600 -0.725 0.000 2.374 634 M HA -0.056 4.425 4.480 0.001 0.000 0.264 634 M C 0.894 177.140 176.300 -0.089 0.000 1.067 634 M CA 1.827 56.836 55.300 -0.484 0.000 1.103 634 M CB -0.678 31.608 32.600 -0.524 0.000 1.402 634 M HN 0.060 nan 8.290 nan 0.000 0.444 635 D N 0.715 121.112 120.400 -0.004 0.000 2.354 635 D HA 0.108 4.749 4.640 0.001 0.000 0.209 635 D C 0.063 176.411 176.300 0.079 0.000 1.015 635 D CA 0.544 54.580 54.000 0.061 0.000 0.867 635 D CB 0.571 41.395 40.800 0.040 0.000 0.933 635 D HN 0.084 nan 8.370 nan 0.000 0.520 636 K N 0.128 120.608 120.400 0.134 0.000 2.318 636 K HA 0.308 4.629 4.320 0.001 0.000 0.249 636 K C 0.155 176.854 176.600 0.164 0.000 0.942 636 K CA -0.439 55.840 56.287 -0.013 0.000 0.808 636 K CB 1.839 34.038 32.500 -0.501 0.000 1.189 636 K HN -0.194 nan 8.250 nan 0.000 0.428 637 Q N 0.241 120.114 119.800 0.122 0.000 2.402 637 Q HA 0.150 4.490 4.340 0.001 0.000 0.206 637 Q C -0.119 176.029 176.000 0.246 0.000 0.919 637 Q CA 0.275 56.212 55.803 0.223 0.000 0.923 637 Q CB 0.258 29.128 28.738 0.220 0.000 1.048 637 Q HN 0.317 nan 8.270 nan 0.000 0.515 638 L N -0.151 121.154 121.223 0.136 0.000 2.410 638 L HA 0.615 4.956 4.340 0.001 0.000 0.270 638 L C -2.066 174.840 176.870 0.061 0.000 0.983 638 L CA -0.532 54.412 54.840 0.173 0.000 0.822 638 L CB 1.225 43.355 42.059 0.117 0.000 1.285 638 L HN 0.005 nan 8.230 nan 0.000 0.409 639 W N 4.039 125.467 121.300 0.212 0.000 3.033 639 W HA 0.801 5.461 4.660 0.001 0.000 0.336 639 W C -1.260 175.446 176.519 0.313 0.000 1.173 639 W CA -0.840 56.622 57.345 0.194 0.000 1.185 639 W CB 2.175 31.684 29.460 0.081 0.000 1.425 639 W HN 0.282 nan 8.180 nan 0.000 0.536 640 V N 2.184 122.393 119.914 0.491 0.000 2.612 640 V HA 0.705 4.826 4.120 0.001 0.000 0.301 640 V C -0.304 176.016 176.094 0.376 0.000 1.059 640 V CA -0.852 61.695 62.300 0.411 0.000 0.886 640 V CB 1.429 33.401 31.823 0.249 0.000 1.007 640 V HN 0.585 nan 8.190 nan 0.000 0.426 641 T N 1.561 116.373 114.554 0.430 0.000 2.916 641 T HA 0.639 4.990 4.350 0.001 0.000 0.292 641 T C -0.347 174.471 174.700 0.197 0.000 1.055 641 T CA -1.010 61.285 62.100 0.326 0.000 1.009 641 T CB 2.032 71.137 68.868 0.396 0.000 1.118 641 T HN 0.468 nan 8.240 nan 0.000 0.497 642 R N 0.896 121.441 120.500 0.075 0.000 2.543 642 R HA 0.152 4.493 4.340 0.001 0.000 0.277 642 R C -0.401 175.732 176.300 -0.279 0.000 1.074 642 R CA -0.438 55.611 56.100 -0.085 0.000 1.076 642 R CB 0.301 30.518 30.300 -0.138 0.000 0.993 642 R HN 0.761 nan 8.270 nan 0.000 0.459 643 Y N 3.436 123.548 120.300 -0.314 0.000 2.610 643 Y HA -0.066 4.484 4.550 0.001 0.000 0.332 643 Y C -0.538 175.048 175.900 -0.525 0.000 1.201 643 Y CA 0.702 58.629 58.100 -0.287 0.000 1.465 643 Y CB 0.414 38.783 38.460 -0.150 0.000 1.283 643 Y HN 0.429 nan 8.280 nan 0.000 0.563 644 H N 6.820 125.350 119.070 -0.901 0.000 3.128 644 H HA 0.170 4.727 4.556 0.001 0.000 0.336 644 H C -2.051 172.771 175.328 -0.843 0.000 1.026 644 H CA -1.937 53.663 56.048 -0.747 0.000 1.376 644 H CB 1.721 31.263 29.762 -0.366 0.000 1.882 644 H HN 0.453 nan 8.280 nan 0.000 0.479 645 P HA -0.103 nan 4.420 nan 0.000 0.218 645 P C 1.174 178.341 177.300 -0.221 0.000 1.146 645 P CA 1.351 64.255 63.100 -0.327 0.000 0.813 645 P CB 0.213 31.841 31.700 -0.121 0.000 0.778 646 G N -0.675 107.999 108.800 -0.211 0.000 3.707 646 G HA2 0.078 4.038 3.960 0.001 0.000 0.286 646 G HA3 0.078 4.038 3.960 0.001 0.000 0.286 646 G C -0.026 174.723 174.900 -0.251 0.000 1.112 646 G CA -0.144 44.853 45.100 -0.172 0.000 0.861 646 G HN 0.203 nan 8.290 nan 0.000 0.534 647 E N 0.490 120.460 120.200 -0.383 0.000 2.346 647 E HA 0.326 4.676 4.350 0.001 0.000 0.239 647 E C 0.268 176.665 176.600 -0.339 0.000 0.943 647 E CA -0.377 55.605 56.400 -0.698 0.000 0.751 647 E CB 1.077 30.197 29.700 -0.967 0.000 1.241 647 E HN 0.220 nan 8.360 nan 0.000 0.423 648 R N 1.466 121.744 120.500 -0.370 0.000 2.521 648 R HA 0.202 4.543 4.340 0.001 0.000 0.289 648 R C -0.357 175.693 176.300 -0.418 0.000 0.936 648 R CA 0.001 55.797 56.100 -0.507 0.000 1.089 648 R CB 0.810 30.375 30.300 -1.226 0.000 1.348 648 R HN 0.184 nan 8.270 nan 0.000 0.536 649 F N 1.818 121.962 119.950 0.322 0.000 2.482 649 F HA 0.385 4.913 4.527 0.001 0.000 0.331 649 F C -1.574 174.182 175.800 -0.074 0.000 1.115 649 F CA -3.116 54.950 58.000 0.110 0.000 0.955 649 F CB 1.300 40.279 39.000 -0.036 0.000 1.136 649 F HN -0.265 nan 8.300 nan 0.000 0.452 650 P HA -0.173 nan 4.420 nan 0.000 0.218 650 P C 0.817 177.668 177.300 -0.749 0.000 1.149 650 P CA 1.536 64.228 63.100 -0.681 0.000 0.817 650 P CB 0.204 31.338 31.700 -0.944 0.000 0.785 651 E N 0.331 120.181 120.200 -0.582 0.000 2.479 651 E HA 0.200 4.551 4.350 0.001 0.000 0.193 651 E C 0.749 177.248 176.600 -0.169 0.000 1.049 651 E CA 0.386 56.624 56.400 -0.270 0.000 0.870 651 E CB -0.531 29.081 29.700 -0.146 0.000 0.944 651 E HN 0.154 nan 8.360 nan 0.000 0.492 652 G N 1.956 110.667 108.800 -0.148 0.000 2.699 652 G HA2 -0.293 3.667 3.960 0.001 0.000 0.686 652 G HA3 -0.293 3.667 3.960 0.001 0.000 0.686 652 G C 0.100 174.990 174.900 -0.017 0.000 1.301 652 G CA -0.054 45.003 45.100 -0.072 0.000 0.816 652 G HN 0.177 nan 8.290 nan 0.000 0.595 653 K N -0.723 119.677 120.400 0.000 0.000 2.097 653 K HA 0.040 4.360 4.320 0.001 0.000 0.205 653 K C 0.409 176.619 176.600 -0.650 0.000 1.050 653 K CA 1.491 57.596 56.287 -0.304 0.000 0.938 653 K CB -0.085 32.259 32.500 -0.259 0.000 0.718 653 K HN 0.515 nan 8.250 nan 0.000 0.442 654 Y N 0.507 120.768 120.300 -0.065 0.000 2.658 654 Y HA 0.267 4.817 4.550 0.001 0.000 0.362 654 Y C -2.010 173.849 175.900 -0.067 0.000 1.017 654 Y CA -2.230 55.829 58.100 -0.069 0.000 1.134 654 Y CB 1.446 39.881 38.460 -0.041 0.000 1.144 654 Y HN 0.126 nan 8.280 nan 0.000 0.655 655 P HA -0.079 nan 4.420 nan 0.000 0.233 655 P C 0.100 177.410 177.300 0.016 0.000 1.167 655 P CA 0.483 63.580 63.100 -0.004 0.000 0.770 655 P CB 0.491 32.179 31.700 -0.020 0.000 0.837 656 N N 2.066 120.785 118.700 0.031 0.000 2.427 656 N HA -0.033 4.708 4.740 0.001 0.000 0.269 656 N C 0.347 175.825 175.510 -0.053 0.000 1.235 656 N CA 0.271 53.318 53.050 -0.006 0.000 0.934 656 N CB -0.476 38.006 38.487 -0.008 0.000 1.121 656 N HN -0.069 nan 8.380 nan 0.000 0.480 657 R N 0.411 120.857 120.500 -0.089 0.000 3.641 657 R HA -0.172 4.169 4.340 0.001 0.000 0.286 657 R C -0.320 175.924 176.300 -0.092 0.000 1.153 657 R CA 0.831 56.863 56.100 -0.113 0.000 0.775 657 R CB -2.770 27.305 30.300 -0.374 0.000 1.215 657 R HN 0.733 nan 8.270 nan 0.000 0.474 658 S N -0.558 115.100 115.700 -0.070 0.000 2.572 658 S HA 0.190 4.661 4.470 0.001 0.000 0.279 658 S C 1.454 175.900 174.600 -0.257 0.000 1.341 658 S CA 0.116 58.245 58.200 -0.119 0.000 1.043 658 S CB 1.613 64.754 63.200 -0.099 0.000 0.887 658 S HN 0.345 nan 8.310 nan 0.000 0.516 659 T N -2.676 111.700 114.554 -0.296 0.000 3.023 659 T HA 0.209 4.560 4.350 0.001 0.000 0.253 659 T C 0.352 175.180 174.700 0.213 0.000 1.038 659 T CA 0.073 61.913 62.100 -0.434 0.000 0.962 659 T CB -0.480 68.073 68.868 -0.526 0.000 1.018 659 T HN 0.983 nan 8.240 nan 0.000 0.521 660 H N -1.393 117.688 119.070 0.017 0.000 3.042 660 H HA 0.432 4.988 4.556 0.001 0.000 0.346 660 H C -2.015 173.275 175.328 -0.063 0.000 1.294 660 H CA -0.990 55.089 56.048 0.052 0.000 1.141 660 H CB 0.714 30.521 29.762 0.076 0.000 1.872 660 H HN -0.023 nan 8.280 nan 0.000 0.541 661 D N 1.747 122.033 120.400 -0.191 0.000 2.389 661 D HA 0.023 4.663 4.640 0.001 0.000 0.263 661 D C 0.564 176.700 176.300 -0.273 0.000 1.255 661 D CA 0.549 54.400 54.000 -0.249 0.000 0.914 661 D CB 0.704 41.358 40.800 -0.243 0.000 1.116 661 D HN 0.649 nan 8.370 nan 0.000 0.502 662 T N 0.555 114.917 114.554 -0.319 0.000 3.174 662 T HA 0.397 4.748 4.350 0.001 0.000 0.269 662 T C 0.856 175.340 174.700 -0.361 0.000 1.017 662 T CA -0.428 61.517 62.100 -0.259 0.000 0.899 662 T CB 0.867 69.618 68.868 -0.196 0.000 1.077 662 T HN 0.257 nan 8.240 nan 0.000 0.552 663 G N 1.205 109.678 108.800 -0.544 0.000 3.227 663 G HA2 0.506 4.467 3.960 0.001 0.000 0.171 663 G HA3 0.506 4.467 3.960 0.001 0.000 0.171 663 G C 0.774 174.758 174.900 -1.526 0.000 1.463 663 G CA -0.783 43.739 45.100 -0.962 0.000 1.016 663 G HN 0.274 nan 8.290 nan 0.000 0.594 664 L N 0.900 121.358 121.223 -1.275 0.000 2.187 664 L HA -0.040 4.300 4.340 0.001 0.000 0.213 664 L C 3.008 179.457 176.870 -0.701 0.000 1.100 664 L CA 1.105 55.198 54.840 -1.244 0.000 0.765 664 L CB -0.413 40.561 42.059 -1.808 0.000 0.904 664 L HN 0.589 nan 8.230 nan 0.000 0.437 665 G N -1.018 107.485 108.800 -0.495 0.000 2.418 665 G HA2 -0.312 3.649 3.960 0.001 0.000 0.217 665 G HA3 -0.312 3.649 3.960 0.001 0.000 0.217 665 G C 1.481 176.302 174.900 -0.132 0.000 1.158 665 G CA 0.693 45.694 45.100 -0.166 0.000 0.771 665 G HN 0.434 nan 8.290 nan 0.000 0.545 666 Q N -0.962 118.688 119.800 -0.249 0.000 2.096 666 Q HA -0.088 4.253 4.340 0.001 0.000 0.197 666 Q C 2.203 178.230 176.000 0.046 0.000 0.964 666 Q CA 0.807 56.550 55.803 -0.099 0.000 0.838 666 Q CB -0.208 28.463 28.738 -0.111 0.000 0.906 666 Q HN 0.499 nan 8.270 nan 0.000 0.444 667 Y N 0.686 120.929 120.300 -0.096 0.000 2.403 667 Y HA -0.092 4.459 4.550 0.001 0.000 0.291 667 Y C 2.411 178.325 175.900 0.023 0.000 1.143 667 Y CA 1.204 59.276 58.100 -0.048 0.000 1.257 667 Y CB -0.428 37.939 38.460 -0.155 0.000 0.984 667 Y HN 0.308 nan 8.280 nan 0.000 0.550 668 S N -2.034 113.770 115.700 0.175 0.000 2.559 668 S HA 0.137 4.607 4.470 0.001 0.000 0.226 668 S C 1.643 176.326 174.600 0.139 0.000 1.000 668 S CA -0.279 58.030 58.200 0.182 0.000 0.948 668 S CB 0.173 63.522 63.200 0.247 0.000 0.870 668 S HN 0.017 nan 8.310 nan 0.000 0.497 669 K N 2.337 122.802 120.400 0.108 0.000 2.127 669 K HA -0.090 4.230 4.320 0.001 0.000 0.208 669 K C 0.933 177.583 176.600 0.082 0.000 1.047 669 K CA 1.829 58.166 56.287 0.084 0.000 0.927 669 K CB -0.502 32.038 32.500 0.065 0.000 0.716 669 K HN 0.282 nan 8.250 nan 0.000 0.450 670 D N -0.191 120.264 120.400 0.092 0.000 2.363 670 D HA -0.064 4.577 4.640 0.001 0.000 0.226 670 D C -0.352 176.000 176.300 0.086 0.000 1.020 670 D CA 0.251 54.301 54.000 0.083 0.000 0.892 670 D CB -0.493 40.358 40.800 0.085 0.000 0.900 670 D HN 0.360 nan 8.370 nan 0.000 0.531 671 N N 1.396 120.153 118.700 0.096 0.000 2.699 671 N HA -0.204 4.536 4.740 0.001 0.000 0.256 671 N C -0.701 174.863 175.510 0.090 0.000 0.993 671 N CA 0.005 53.110 53.050 0.092 0.000 0.759 671 N CB -0.253 38.277 38.487 0.072 0.000 0.906 671 N HN 0.349 nan 8.380 nan 0.000 0.541 672 E N 0.180 120.443 120.200 0.104 0.000 2.409 672 E HA 0.039 4.390 4.350 0.001 0.000 0.257 672 E C 0.399 177.054 176.600 0.092 0.000 1.150 672 E CA -0.154 56.306 56.400 0.101 0.000 0.942 672 E CB 0.698 30.473 29.700 0.125 0.000 0.979 672 E HN 0.290 nan 8.360 nan 0.000 0.447 673 S N 1.063 116.811 115.700 0.081 0.000 2.549 673 S HA 0.082 4.552 4.470 0.001 0.000 0.279 673 S C 0.393 175.038 174.600 0.074 0.000 1.321 673 S CA -0.437 57.806 58.200 0.072 0.000 1.054 673 S CB 0.151 63.388 63.200 0.061 0.000 0.899 673 S HN 0.455 nan 8.310 nan 0.000 0.497 674 L N 3.294 124.560 121.223 0.073 0.000 2.965 674 L HA 0.330 4.671 4.340 0.001 0.000 0.254 674 L C 0.020 176.926 176.870 0.060 0.000 1.220 674 L CA -0.190 54.694 54.840 0.073 0.000 1.023 674 L CB 0.180 42.291 42.059 0.086 0.000 1.355 674 L HN 0.626 nan 8.230 nan 0.000 0.545 675 D N 1.126 121.559 120.400 0.054 0.000 2.325 675 D HA 0.032 4.672 4.640 0.001 0.000 0.251 675 D C 0.771 177.094 176.300 0.038 0.000 1.196 675 D CA 0.151 54.178 54.000 0.045 0.000 0.866 675 D CB 0.264 41.089 40.800 0.042 0.000 1.101 675 D HN 0.150 nan 8.370 nan 0.000 0.476 676 N N 2.635 121.355 118.700 0.034 0.000 2.705 676 N HA -0.252 4.488 4.740 0.001 0.000 0.255 676 N C -1.197 174.329 175.510 0.027 0.000 1.008 676 N CA 0.643 53.709 53.050 0.026 0.000 0.742 676 N CB -0.390 38.109 38.487 0.021 0.000 0.906 676 N HN 0.431 nan 8.380 nan 0.000 0.541 677 T N -0.734 113.839 114.554 0.032 0.000 2.838 677 T HA 0.133 4.484 4.350 0.001 0.000 0.292 677 T C -1.481 173.237 174.700 0.030 0.000 1.113 677 T CA -0.619 61.500 62.100 0.032 0.000 1.008 677 T CB 1.469 70.362 68.868 0.042 0.000 1.259 677 T HN 0.185 nan 8.240 nan 0.000 0.520 678 D N 1.644 122.059 120.400 0.025 0.000 2.346 678 D HA 0.433 5.073 4.640 0.001 0.000 0.267 678 D C -0.092 176.241 176.300 0.055 0.000 1.320 678 D CA 0.074 54.084 54.000 0.018 0.000 0.951 678 D CB 0.212 41.000 40.800 -0.020 0.000 1.079 678 D HN 0.703 nan 8.370 nan 0.000 0.509 679 A N 3.092 125.949 122.820 0.061 0.000 2.294 679 A HA 0.666 4.986 4.320 0.001 0.000 0.330 679 A C -0.685 176.959 177.584 0.101 0.000 1.133 679 A CA -0.633 51.459 52.037 0.092 0.000 0.836 679 A CB 1.530 20.586 19.000 0.093 0.000 1.190 679 A HN 0.357 nan 8.150 nan 0.000 0.492 680 V N 1.474 121.465 119.914 0.129 0.000 2.525 680 V HA 0.381 4.502 4.120 0.001 0.000 0.299 680 V C -0.518 175.617 176.094 0.067 0.000 1.034 680 V CA -0.474 61.854 62.300 0.048 0.000 0.863 680 V CB 1.596 33.430 31.823 0.018 0.000 0.999 680 V HN 0.683 nan 8.190 nan 0.000 0.423 681 V N 4.036 123.932 119.914 -0.030 0.000 2.539 681 V HA 0.520 4.641 4.120 0.001 0.000 0.292 681 V C -1.007 175.083 176.094 -0.006 0.000 1.045 681 V CA -0.491 61.868 62.300 0.099 0.000 0.945 681 V CB 1.693 33.573 31.823 0.095 0.000 0.993 681 V HN 0.903 nan 8.190 nan 0.000 0.464 682 W N 4.370 125.798 121.300 0.214 0.000 2.619 682 W HA 0.744 5.405 4.660 0.001 0.000 0.327 682 W C -0.387 176.309 176.519 0.294 0.000 1.027 682 W CA -0.701 56.779 57.345 0.224 0.000 1.233 682 W CB 1.168 30.722 29.460 0.156 0.000 1.370 682 W HN 0.268 nan 8.180 nan 0.000 0.453 683 M N 3.115 122.989 119.600 0.456 0.000 2.294 683 M HA 0.544 5.025 4.480 0.001 0.000 0.335 683 M C -0.329 176.232 176.300 0.436 0.000 1.079 683 M CA -0.340 55.191 55.300 0.386 0.000 0.982 683 M CB 2.028 34.787 32.600 0.265 0.000 1.651 683 M HN 0.242 nan 8.290 nan 0.000 0.437 684 T N 1.307 116.109 114.554 0.413 0.000 2.824 684 T HA 0.615 4.966 4.350 0.001 0.000 0.282 684 T C -0.589 174.315 174.700 0.341 0.000 0.993 684 T CA -0.489 61.850 62.100 0.399 0.000 0.967 684 T CB 1.909 71.039 68.868 0.437 0.000 0.960 684 T HN 0.749 nan 8.240 nan 0.000 0.441 685 T N 1.210 115.983 114.554 0.364 0.000 2.894 685 T HA 0.802 5.153 4.350 0.001 0.000 0.309 685 T C -0.793 174.136 174.700 0.381 0.000 1.208 685 T CA -0.159 62.151 62.100 0.350 0.000 1.016 685 T CB 1.539 70.638 68.868 0.385 0.000 1.192 685 T HN 0.948 nan 8.240 nan 0.000 0.491 686 G N 1.080 110.064 108.800 0.306 0.000 2.548 686 G HA2 0.667 4.628 3.960 0.001 0.000 0.301 686 G HA3 0.667 4.628 3.960 0.001 0.000 0.301 686 G C -0.857 174.175 174.900 0.219 0.000 1.349 686 G CA -0.058 45.208 45.100 0.276 0.000 0.792 686 G HN 1.093 nan 8.290 nan 0.000 0.481 687 T N -2.743 111.928 114.554 0.195 0.000 2.916 687 T HA 0.719 5.070 4.350 0.001 0.000 0.292 687 T C -0.760 173.956 174.700 0.026 0.000 1.055 687 T CA -0.677 61.516 62.100 0.156 0.000 1.009 687 T CB 2.093 71.124 68.868 0.271 0.000 1.118 687 T HN 0.477 nan 8.240 nan 0.000 0.497 688 T N 1.677 116.203 114.554 -0.046 0.000 2.788 688 T HA 0.310 4.661 4.350 0.001 0.000 0.296 688 T C -0.752 173.819 174.700 -0.215 0.000 1.009 688 T CA -0.421 61.592 62.100 -0.145 0.000 0.949 688 T CB -0.110 68.681 68.868 -0.128 0.000 0.946 688 T HN 0.782 nan 8.240 nan 0.000 0.453 689 H N 3.832 122.620 119.070 -0.470 0.000 2.820 689 H HA 0.482 5.039 4.556 0.001 0.000 0.278 689 H C -0.696 174.350 175.328 -0.470 0.000 1.142 689 H CA -0.677 55.011 56.048 -0.600 0.000 1.346 689 H CB 0.299 29.687 29.762 -0.623 0.000 1.438 689 H HN 0.276 nan 8.280 nan 0.000 0.473 690 V N 5.169 124.993 119.914 -0.150 0.000 2.350 690 V HA 0.323 4.444 4.120 0.001 0.000 0.276 690 V C 0.638 176.719 176.094 -0.022 0.000 1.028 690 V CA -0.560 61.662 62.300 -0.130 0.000 0.860 690 V CB 0.666 32.424 31.823 -0.107 0.000 0.990 690 V HN 0.876 nan 8.190 nan 0.000 0.453 691 A N 6.460 129.228 122.820 -0.086 0.000 2.327 691 A HA 0.811 5.131 4.320 0.001 0.000 0.255 691 A C 0.338 177.948 177.584 0.044 0.000 1.099 691 A CA -0.277 51.769 52.037 0.015 0.000 0.801 691 A CB 0.486 19.437 19.000 -0.081 0.000 1.062 691 A HN 1.010 nan 8.150 nan 0.000 0.496 692 R N -1.055 119.505 120.500 0.101 0.000 2.739 692 R HA 0.634 4.974 4.340 0.001 0.000 0.271 692 R C 0.342 176.699 176.300 0.096 0.000 1.010 692 R CA -0.142 56.003 56.100 0.074 0.000 0.897 692 R CB 1.124 31.473 30.300 0.081 0.000 1.236 692 R HN 0.754 nan 8.270 nan 0.000 0.466 693 A N 1.229 124.092 122.820 0.071 0.000 2.024 693 A HA -0.154 4.166 4.320 0.001 0.000 0.220 693 A C 1.307 178.975 177.584 0.141 0.000 1.164 693 A CA 1.758 53.856 52.037 0.102 0.000 0.643 693 A CB -0.587 18.451 19.000 0.063 0.000 0.806 693 A HN 0.842 nan 8.150 nan 0.000 0.451 694 E N 0.334 120.601 120.200 0.110 0.000 2.401 694 E HA -0.119 4.231 4.350 0.001 0.000 0.199 694 E C 1.132 177.803 176.600 0.117 0.000 1.023 694 E CA 1.108 57.567 56.400 0.098 0.000 0.859 694 E CB -0.158 29.587 29.700 0.075 0.000 0.780 694 E HN 0.787 nan 8.360 nan 0.000 0.523 695 E N -0.816 119.488 120.200 0.174 0.000 2.465 695 E HA 0.054 4.404 4.350 0.001 0.000 0.195 695 E C -0.461 176.306 176.600 0.278 0.000 1.028 695 E CA -0.272 56.247 56.400 0.199 0.000 0.899 695 E CB 0.423 30.281 29.700 0.265 0.000 1.032 695 E HN 0.186 nan 8.360 nan 0.000 0.468 696 W N 1.711 123.023 121.300 0.021 0.000 2.998 696 W HA 0.238 4.898 4.660 0.001 0.000 0.335 696 W C -2.378 174.153 176.519 0.020 0.000 1.110 696 W CA -2.007 55.346 57.345 0.014 0.000 1.230 696 W CB 1.709 31.177 29.460 0.014 0.000 1.405 696 W HN -0.127 nan 8.180 nan 0.000 0.493 697 P HA 0.063 nan 4.420 nan 0.000 0.233 697 P C 0.099 177.008 177.300 -0.652 0.000 1.167 697 P CA 0.873 63.286 63.100 -1.145 0.000 0.770 697 P CB 1.492 32.688 31.700 -0.839 0.000 0.837 698 I N -0.272 120.116 120.570 -0.303 0.000 2.647 698 I HA 0.309 4.480 4.170 0.001 0.000 0.295 698 I C -0.641 175.402 176.117 -0.123 0.000 1.078 698 I CA -1.756 59.387 61.300 -0.261 0.000 1.048 698 I CB 2.240 40.088 38.000 -0.254 0.000 1.239 698 I HN -0.315 nan 8.210 nan 0.000 0.421 699 M N 7.890 127.419 119.600 -0.118 0.000 2.146 699 M HA 0.448 4.929 4.480 0.001 0.000 0.357 699 M C -2.454 173.776 176.300 -0.116 0.000 1.261 699 M CA -1.630 53.634 55.300 -0.061 0.000 1.106 699 M CB 0.276 32.869 32.600 -0.012 0.000 1.612 699 M HN 0.237 nan 8.290 nan 0.000 0.470 700 P HA 0.111 nan 4.420 nan 0.000 0.271 700 P C -0.601 176.595 177.300 -0.173 0.000 1.218 700 P CA -0.180 62.861 63.100 -0.098 0.000 0.780 700 P CB 0.418 32.087 31.700 -0.051 0.000 0.901 701 T N 3.324 117.768 114.554 -0.184 0.000 2.867 701 T HA 0.081 4.431 4.350 0.001 0.000 0.297 701 T C 0.193 174.683 174.700 -0.350 0.000 0.989 701 T CA 0.112 62.018 62.100 -0.323 0.000 1.159 701 T CB -0.108 68.579 68.868 -0.302 0.000 0.928 701 T HN 0.315 nan 8.240 nan 0.000 0.538 702 E N 2.251 122.129 120.200 -0.536 0.000 2.183 702 E HA 0.348 4.698 4.350 0.001 0.000 0.271 702 E C -0.929 175.366 176.600 -0.509 0.000 0.919 702 E CA -0.470 55.634 56.400 -0.493 0.000 0.781 702 E CB 1.701 30.901 29.700 -0.834 0.000 1.140 702 E HN 0.610 nan 8.360 nan 0.000 0.402 703 W N 1.318 122.464 121.300 -0.257 0.000 2.781 703 W HA 0.478 5.138 4.660 0.001 0.000 0.345 703 W C -0.314 175.960 176.519 -0.409 0.000 1.085 703 W CA -0.837 56.322 57.345 -0.311 0.000 1.198 703 W CB 1.517 30.811 29.460 -0.277 0.000 1.423 703 W HN 0.200 nan 8.180 nan 0.000 0.532 704 V N -0.354 119.447 119.914 -0.187 0.000 2.628 704 V HA 0.619 4.739 4.120 0.001 0.000 0.306 704 V C -0.718 175.112 176.094 -0.440 0.000 1.045 704 V CA -0.835 61.320 62.300 -0.241 0.000 0.905 704 V CB 1.600 33.438 31.823 0.026 0.000 0.997 704 V HN 0.605 nan 8.190 nan 0.000 0.436 705 H N 2.491 121.574 119.070 0.021 0.000 2.622 705 H HA 0.818 5.374 4.556 0.001 0.000 0.363 705 H C -0.246 175.023 175.328 -0.098 0.000 1.151 705 H CA 0.003 56.008 56.048 -0.072 0.000 1.184 705 H CB 2.294 31.987 29.762 -0.115 0.000 1.643 705 H HN 1.033 nan 8.280 nan 0.000 0.531 706 T N 0.132 114.663 114.554 -0.038 0.000 2.909 706 T HA 0.605 4.956 4.350 0.001 0.000 0.299 706 T C -0.998 173.612 174.700 -0.151 0.000 1.073 706 T CA -0.818 61.219 62.100 -0.104 0.000 0.999 706 T CB 1.938 70.715 68.868 -0.152 0.000 1.098 706 T HN 0.247 nan 8.240 nan 0.000 0.477 707 L N 1.463 122.607 121.223 -0.132 0.000 2.409 707 L HA 0.740 5.080 4.340 0.001 0.000 0.262 707 L C -1.648 175.168 176.870 -0.090 0.000 0.992 707 L CA -0.976 53.786 54.840 -0.130 0.000 0.817 707 L CB 2.252 44.253 42.059 -0.097 0.000 1.350 707 L HN 0.818 nan 8.230 nan 0.000 0.411 708 L N 3.791 124.976 121.223 -0.063 0.000 2.377 708 L HA 0.545 4.886 4.340 0.001 0.000 0.270 708 L C -0.747 176.211 176.870 0.147 0.000 0.991 708 L CA -0.576 54.310 54.840 0.077 0.000 0.851 708 L CB 1.280 43.386 42.059 0.079 0.000 1.218 708 L HN 0.477 nan 8.230 nan 0.000 0.420 709 K N 3.711 124.159 120.400 0.081 0.000 2.259 709 K HA 0.547 4.867 4.320 0.001 0.000 0.252 709 K C -2.634 173.691 176.600 -0.459 0.000 0.936 709 K CA -1.952 54.280 56.287 -0.093 0.000 0.810 709 K CB 1.988 34.478 32.500 -0.016 0.000 1.143 709 K HN 0.153 nan 8.250 nan 0.000 0.427 710 P HA -0.060 nan 4.420 nan 0.000 0.271 710 P C -1.054 176.098 177.300 -0.247 0.000 1.226 710 P CA -0.003 62.527 63.100 -0.950 0.000 0.765 710 P CB 0.413 31.843 31.700 -0.450 0.000 0.835 711 W N 5.733 126.864 121.300 -0.283 0.000 2.453 711 W HA 0.153 4.814 4.660 0.001 0.000 0.310 711 W C -0.402 176.093 176.519 -0.041 0.000 1.000 711 W CA -0.325 56.957 57.345 -0.105 0.000 1.367 711 W CB 0.236 29.651 29.460 -0.074 0.000 1.269 711 W HN 0.527 nan 8.180 nan 0.000 0.418 712 N N 3.398 122.034 118.700 -0.106 0.000 2.753 712 N HA -0.332 4.408 4.740 0.001 0.000 0.251 712 N C 0.423 175.930 175.510 -0.006 0.000 1.097 712 N CA 1.617 54.637 53.050 -0.050 0.000 0.786 712 N CB -2.023 36.467 38.487 0.005 0.000 1.137 712 N HN 0.556 nan 8.380 nan 0.000 0.566 713 F N 0.109 119.931 119.950 -0.213 0.000 2.206 713 F HA 0.138 4.665 4.527 0.001 0.000 0.298 713 F C 0.779 176.230 175.800 -0.581 0.000 1.090 713 F CA 0.964 58.724 58.000 -0.400 0.000 1.323 713 F CB 0.167 38.822 39.000 -0.575 0.000 1.028 713 F HN -0.029 nan 8.300 nan 0.000 0.492 714 F N 0.154 120.131 119.950 0.045 0.000 2.518 714 F HA 0.268 4.796 4.527 0.001 0.000 0.338 714 F C 1.260 177.016 175.800 -0.073 0.000 1.065 714 F CA -0.889 57.089 58.000 -0.037 0.000 1.012 714 F CB 0.338 39.316 39.000 -0.036 0.000 1.297 714 F HN -0.295 nan 8.300 nan 0.000 0.489 715 D N -0.604 119.886 120.400 0.150 0.000 2.392 715 D HA 0.067 4.708 4.640 0.001 0.000 0.206 715 D C 0.147 176.455 176.300 0.013 0.000 1.046 715 D CA 0.575 54.598 54.000 0.039 0.000 0.865 715 D CB 0.469 41.279 40.800 0.017 0.000 0.969 715 D HN 0.737 nan 8.370 nan 0.000 0.509 716 E N -1.272 118.944 120.200 0.026 0.000 2.425 716 E HA 0.274 4.624 4.350 0.001 0.000 0.272 716 E C -1.061 175.499 176.600 -0.067 0.000 1.061 716 E CA -0.795 55.583 56.400 -0.037 0.000 0.877 716 E CB 0.457 30.130 29.700 -0.044 0.000 1.590 716 E HN -0.346 nan 8.360 nan 0.000 0.462 717 T N 2.904 117.395 114.554 -0.106 0.000 2.778 717 T HA 0.022 4.373 4.350 0.001 0.000 0.282 717 T C -1.800 172.815 174.700 -0.142 0.000 0.983 717 T CA -0.375 61.649 62.100 -0.126 0.000 1.193 717 T CB 0.271 69.032 68.868 -0.178 0.000 0.938 717 T HN 0.323 nan 8.240 nan 0.000 0.523 718 P HA -0.079 nan 4.420 nan 0.000 0.218 718 P C 1.431 178.612 177.300 -0.198 0.000 1.148 718 P CA 0.946 63.800 63.100 -0.409 0.000 0.822 718 P CB 0.019 31.282 31.700 -0.728 0.000 0.784 719 T N -4.524 110.004 114.554 -0.043 0.000 3.206 719 T HA 0.209 4.559 4.350 0.001 0.000 0.253 719 T C 1.494 176.246 174.700 0.086 0.000 1.042 719 T CA -0.225 61.891 62.100 0.027 0.000 0.931 719 T CB -0.958 67.958 68.868 0.080 0.000 1.029 719 T HN -0.034 nan 8.240 nan 0.000 0.564 720 L N 1.139 122.390 121.223 0.047 0.000 2.081 720 L HA 0.159 4.499 4.340 0.001 0.000 0.212 720 L C 1.538 178.434 176.870 0.043 0.000 1.080 720 L CA 1.624 56.496 54.840 0.054 0.000 0.754 720 L CB -0.824 41.218 42.059 -0.029 0.000 0.893 720 L HN 0.803 nan 8.230 nan 0.000 0.433 721 G N -2.102 106.703 108.800 0.008 0.000 2.406 721 G HA2 0.137 4.098 3.960 0.001 0.000 0.680 721 G HA3 0.137 4.098 3.960 0.001 0.000 0.680 721 G C -0.790 174.105 174.900 -0.008 0.000 1.338 721 G CA -0.577 44.524 45.100 0.002 0.000 0.941 721 G HN 0.328 nan 8.290 nan 0.000 0.633 722 A N 0.087 122.901 122.820 -0.011 0.000 2.454 722 A HA 0.595 4.916 4.320 0.001 0.000 0.260 722 A C 0.559 178.138 177.584 -0.007 0.000 1.106 722 A CA -0.078 51.953 52.037 -0.010 0.000 0.780 722 A CB 0.741 19.733 19.000 -0.012 0.000 1.044 722 A HN 1.899 nan 8.150 nan 0.000 0.498 723 L N 2.659 123.878 121.223 -0.007 0.000 2.477 723 L HA 0.101 4.441 4.340 0.001 0.000 0.272 723 L C 1.456 178.322 176.870 -0.006 0.000 1.157 723 L CA 0.713 55.549 54.840 -0.007 0.000 0.889 723 L CB 0.203 42.258 42.059 -0.007 0.000 1.158 723 L HN 0.857 nan 8.230 nan 0.000 0.473 724 K N 3.025 123.422 120.400 -0.005 0.000 2.288 724 K HA 0.016 4.337 4.320 0.001 0.000 0.201 724 K C 0.131 176.728 176.600 -0.005 0.000 1.048 724 K CA 0.866 57.150 56.287 -0.005 0.000 0.956 724 K CB 0.312 32.809 32.500 -0.004 0.000 0.746 724 K HN 0.537 nan 8.250 nan 0.000 0.461 725 K N -0.151 120.245 120.400 -0.006 0.000 2.385 725 K HA 0.344 4.665 4.320 0.001 0.000 0.248 725 K C -0.720 175.876 176.600 -0.007 0.000 0.955 725 K CA 0.357 56.640 56.287 -0.006 0.000 0.816 725 K CB 1.959 34.455 32.500 -0.006 0.000 1.250 725 K HN 0.208 nan 8.250 nan 0.000 0.434 726 D N 0.000 120.396 120.400 -0.006 0.000 6.856 726 D HA 0.000 4.641 4.640 0.001 0.000 0.175 726 D CA 0.000 53.996 54.000 -0.007 0.000 0.868 726 D CB 0.000 40.796 40.800 -0.007 0.000 0.688 726 D HN 0.000 nan 8.370 nan 0.000 0.683