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 1lvn_1_B DATA FIRST_RESID 6 DATA SEQUENCE HMVPMDKTLK EFGADVQWDD YAQLFTLIKD GAYVKVKPGA QTAIVNGQPL DATA SEQUENCE ALQVPVVMKD NKAWVSDTFI NDVFQSGLDQ TFQVEKRPHP LNALTADEIK DATA SEQUENCE QAVEIVKASA DFKPNTRFTE ISLLPPDKEA VWAFALENKP VDQPRKADVI DATA SEQUENCE MLDGKHIIEA VVDLQNNKLL SWQPIKDAHG MVLLDDFASV QNIINNSEEF DATA SEQUENCE AAAVKKRGIT DAKKVITTPL TVGYFDGKDG LKQDARLLKV ISYLDVGDGN DATA SEQUENCE YWAHPIENLV AVVDLEQKKI VKIEEGPVVP VPMTARPFDG RDRVAPAVKP DATA SEQUENCE MQIIEPEGKN YTITGDMIHW RNWDFHLSMN SRVGPMISTV TYNDNGTKRK DATA SEQUENCE VMYEGSLGGM IVPYGDPDIG WYFKAYLDSG DYGMGTLTSP IARGKDAPSN DATA SEQUENCE AVLLNETIAD YTGVPMEIPR AIAVFERYAG PEYKHQEMGQ PNVSTERREL DATA SEQUENCE VVRWISTVGN XDYIFDWIFH ENGTIGIDAG ATGIEAVKGV KAKTMHDETA DATA SEQUENCE KDDTRYGTLI DHNIVGTTHQ HIYNFRLDLD VDGENNSLVA MDPVVKPNTA DATA SEQUENCE GGPRTSTMQV NQYNIGNEQD AAQKFDPGTI RLLSNPNKEN RMGNPVSYQI DATA SEQUENCE IPYAGGTHPV AKGAQFAPDE WIYHRLSFMD KQLWVTRYHP GERFPEGKYP DATA SEQUENCE NRSTHDTGLG QYSKDNESLD NTDAVVWMTT GTTHVARAEE WPIMPTEWVH DATA SEQUENCE TLLKPWNFFD ETPTLGALKK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 H HA 0.000 nan 4.556 nan 0.000 0.296 6 H C 0.000 175.348 175.328 0.034 0.000 0.993 6 H CA 0.000 56.058 56.048 0.016 0.000 1.023 6 H CB 0.000 29.773 29.762 0.019 0.000 1.292 7 M N 1.397 121.072 119.600 0.126 0.000 2.456 7 M HA 0.571 5.052 4.480 0.001 0.000 0.324 7 M C -0.031 176.413 176.300 0.240 0.000 1.124 7 M CA -0.982 54.409 55.300 0.152 0.000 0.959 7 M CB 2.958 35.609 32.600 0.085 0.000 1.692 7 M HN -0.138 nan 8.290 nan 0.000 0.444 8 V N 2.169 122.241 119.914 0.263 0.000 2.914 8 V HA 0.507 4.628 4.120 0.001 0.000 0.314 8 V C -2.371 173.775 176.094 0.088 0.000 1.084 8 V CA -1.855 60.576 62.300 0.218 0.000 0.963 8 V CB 1.970 33.839 31.823 0.076 0.000 1.025 8 V HN 0.658 nan 8.190 nan 0.000 0.432 9 P HA 0.082 nan 4.420 nan 0.000 0.269 9 P C 0.859 177.870 177.300 -0.480 0.000 1.263 9 P CA 0.256 62.866 63.100 -0.817 0.000 0.813 9 P CB 0.797 32.059 31.700 -0.729 0.000 0.868 10 M N 3.029 122.320 119.600 -0.514 0.000 2.226 10 M HA -0.301 4.180 4.480 0.001 0.000 0.257 10 M C 1.386 177.504 176.300 -0.303 0.000 1.070 10 M CA 2.473 57.523 55.300 -0.415 0.000 1.087 10 M CB -0.693 31.566 32.600 -0.569 0.000 1.278 10 M HN 0.243 nan 8.290 nan 0.000 0.426 11 D N -0.114 120.103 120.400 -0.305 0.000 2.116 11 D HA -0.224 4.416 4.640 0.001 0.000 0.193 11 D C 1.970 178.200 176.300 -0.118 0.000 0.998 11 D CA 1.763 55.658 54.000 -0.174 0.000 0.836 11 D CB -0.106 40.604 40.800 -0.150 0.000 0.951 11 D HN 0.297 nan 8.370 nan 0.000 0.449 12 K N -0.495 119.816 120.400 -0.148 0.000 2.002 12 K HA -0.146 4.175 4.320 0.001 0.000 0.209 12 K C 1.982 178.551 176.600 -0.052 0.000 1.048 12 K CA 1.770 58.000 56.287 -0.094 0.000 0.930 12 K CB -0.341 32.091 32.500 -0.113 0.000 0.714 12 K HN 0.127 nan 8.250 nan 0.000 0.438 13 T N 2.290 116.805 114.554 -0.065 0.000 2.665 13 T HA -0.172 4.179 4.350 0.001 0.000 0.268 13 T C 1.918 176.647 174.700 0.050 0.000 1.035 13 T CA 1.652 63.743 62.100 -0.015 0.000 1.151 13 T CB -0.194 68.652 68.868 -0.037 0.000 0.862 13 T HN 0.175 nan 8.240 nan 0.000 0.438 14 L N -0.106 121.145 121.223 0.047 0.000 2.072 14 L HA -0.030 4.311 4.340 0.001 0.000 0.205 14 L C 2.686 179.627 176.870 0.118 0.000 1.079 14 L CA 1.034 55.960 54.840 0.143 0.000 0.752 14 L CB -0.347 41.787 42.059 0.125 0.000 0.906 14 L HN 0.061 nan 8.230 nan 0.000 0.436 15 K N 0.394 120.820 120.400 0.044 0.000 2.032 15 K HA -0.236 4.085 4.320 0.001 0.000 0.209 15 K C 2.008 178.612 176.600 0.007 0.000 1.048 15 K CA 1.465 57.761 56.287 0.014 0.000 0.927 15 K CB -0.225 32.274 32.500 -0.002 0.000 0.712 15 K HN 0.215 nan 8.250 nan 0.000 0.441 16 E N -1.005 119.212 120.200 0.028 0.000 2.110 16 E HA -0.183 4.168 4.350 0.001 0.000 0.193 16 E C 1.603 178.239 176.600 0.059 0.000 0.988 16 E CA 1.000 57.419 56.400 0.032 0.000 0.804 16 E CB -0.183 29.538 29.700 0.036 0.000 0.745 16 E HN 0.311 nan 8.360 nan 0.000 0.458 17 F N -0.205 119.699 119.950 -0.077 0.000 2.502 17 F HA 0.123 4.650 4.527 0.001 0.000 0.298 17 F C 1.329 177.046 175.800 -0.139 0.000 1.111 17 F CA 1.531 59.462 58.000 -0.115 0.000 1.445 17 F CB 0.228 39.136 39.000 -0.154 0.000 1.081 17 F HN 0.121 nan 8.300 nan 0.000 0.558 18 G N 0.251 108.887 108.800 -0.273 0.000 2.159 18 G HA2 -0.061 3.900 3.960 0.001 0.000 0.227 18 G HA3 -0.061 3.900 3.960 0.001 0.000 0.227 18 G C 0.268 174.958 174.900 -0.349 0.000 0.986 18 G CA -0.010 44.884 45.100 -0.343 0.000 0.651 18 G HN 0.873 nan 8.290 nan 0.000 0.523 19 A N -0.079 122.579 122.820 -0.271 0.000 2.310 19 A HA 0.641 4.961 4.320 0.001 0.000 0.299 19 A C 0.012 177.601 177.584 0.009 0.000 1.147 19 A CA 0.331 52.292 52.037 -0.126 0.000 0.818 19 A CB 0.717 19.717 19.000 0.000 0.000 1.096 19 A HN 0.489 nan 8.150 nan 0.000 0.495 20 D N 1.271 121.698 120.400 0.045 0.000 2.312 20 D HA 0.394 5.034 4.640 0.001 0.000 0.252 20 D C -0.694 175.675 176.300 0.116 0.000 1.150 20 D CA 0.296 54.337 54.000 0.069 0.000 0.870 20 D CB 0.836 41.675 40.800 0.066 0.000 1.153 20 D HN 0.156 nan 8.370 nan 0.000 0.457 21 V N 5.161 125.147 119.914 0.119 0.000 2.357 21 V HA 0.328 4.448 4.120 0.001 0.000 0.284 21 V C -0.237 175.982 176.094 0.209 0.000 1.018 21 V CA -0.734 61.671 62.300 0.175 0.000 0.841 21 V CB 1.335 33.248 31.823 0.150 0.000 0.991 21 V HN 0.524 nan 8.190 nan 0.000 0.437 22 Q N 4.310 124.262 119.800 0.254 0.000 2.333 22 Q HA 0.305 4.645 4.340 0.001 0.000 0.268 22 Q C -1.063 175.123 176.000 0.310 0.000 1.007 22 Q CA -0.230 55.709 55.803 0.226 0.000 0.810 22 Q CB 2.967 31.781 28.738 0.127 0.000 1.264 22 Q HN 0.905 nan 8.270 nan 0.000 0.452 23 W N 4.703 126.012 121.300 0.016 0.000 2.429 23 W HA 0.290 4.950 4.660 0.001 0.000 0.314 23 W C -1.125 175.293 176.519 -0.168 0.000 1.062 23 W CA -0.498 56.710 57.345 -0.228 0.000 1.211 23 W CB 1.317 30.590 29.460 -0.311 0.000 1.305 23 W HN 0.496 nan 8.180 nan 0.000 0.476 24 D N 4.758 124.577 120.400 -0.969 0.000 2.473 24 D HA 0.021 4.661 4.640 0.001 0.000 0.226 24 D C 0.741 176.309 176.300 -1.219 0.000 1.089 24 D CA 0.029 53.544 54.000 -0.808 0.000 0.883 24 D CB 0.900 41.439 40.800 -0.435 0.000 1.029 24 D HN 0.503 nan 8.370 nan 0.000 0.517 25 D N 2.321 122.147 120.400 -0.955 0.000 2.158 25 D HA -0.275 4.365 4.640 0.001 0.000 0.197 25 D C 1.557 177.682 176.300 -0.291 0.000 0.995 25 D CA 1.312 54.992 54.000 -0.535 0.000 0.846 25 D CB -0.038 40.716 40.800 -0.077 0.000 0.941 25 D HN 0.572 nan 8.370 nan 0.000 0.456 26 Y N 0.248 120.363 120.300 -0.308 0.000 2.163 26 Y HA -0.049 4.501 4.550 0.001 0.000 0.288 26 Y C 1.965 177.739 175.900 -0.210 0.000 1.136 26 Y CA 1.836 59.817 58.100 -0.197 0.000 1.147 26 Y CB -0.230 38.142 38.460 -0.147 0.000 0.987 26 Y HN 0.016 nan 8.280 nan 0.000 0.509 27 A N -0.543 122.115 122.820 -0.269 0.000 2.251 27 A HA 0.066 4.387 4.320 0.001 0.000 0.209 27 A C 0.640 178.006 177.584 -0.362 0.000 1.187 27 A CA 0.283 52.133 52.037 -0.311 0.000 0.823 27 A CB -0.232 18.679 19.000 -0.149 0.000 0.846 27 A HN 0.540 nan 8.150 nan 0.000 0.486 28 Q N -1.713 117.769 119.800 -0.530 0.000 2.423 28 Q HA -0.216 4.125 4.340 0.001 0.000 0.332 28 Q C -0.727 175.001 176.000 -0.454 0.000 1.355 28 Q CA 0.975 56.455 55.803 -0.538 0.000 0.947 28 Q CB -1.726 26.946 28.738 -0.111 0.000 1.189 28 Q HN 0.617 nan 8.270 nan 0.000 0.418 29 L N -0.573 120.206 121.223 -0.740 0.000 2.408 29 L HA 0.647 4.988 4.340 0.001 0.000 0.268 29 L C -1.057 175.679 176.870 -0.224 0.000 0.986 29 L CA -0.540 54.134 54.840 -0.277 0.000 0.820 29 L CB 1.426 43.395 42.059 -0.150 0.000 1.303 29 L HN 0.041 nan 8.230 nan 0.000 0.411 30 F N 2.185 122.261 119.950 0.210 0.000 2.404 30 F HA 0.588 5.116 4.527 0.001 0.000 0.339 30 F C 0.380 176.239 175.800 0.098 0.000 1.105 30 F CA -0.240 57.913 58.000 0.256 0.000 1.087 30 F CB 2.067 41.236 39.000 0.281 0.000 1.143 30 F HN 0.361 nan 8.300 nan 0.000 0.491 31 T N 5.313 120.026 114.554 0.264 0.000 2.791 31 T HA 0.532 4.883 4.350 0.001 0.000 0.288 31 T C -0.524 174.216 174.700 0.066 0.000 0.999 31 T CA -0.572 61.558 62.100 0.050 0.000 0.952 31 T CB 0.470 69.310 68.868 -0.047 0.000 0.938 31 T HN 0.285 nan 8.240 nan 0.000 0.444 32 L N 4.720 125.959 121.223 0.026 0.000 2.313 32 L HA 0.666 5.007 4.340 0.001 0.000 0.283 32 L C -0.491 176.442 176.870 0.105 0.000 1.013 32 L CA -0.923 54.006 54.840 0.149 0.000 0.816 32 L CB 1.414 43.659 42.059 0.310 0.000 1.236 32 L HN 0.491 nan 8.230 nan 0.000 0.419 33 I N 3.539 124.201 120.570 0.154 0.000 2.498 33 I HA 0.426 4.597 4.170 0.001 0.000 0.290 33 I C -0.523 175.705 176.117 0.184 0.000 1.032 33 I CA -0.624 60.778 61.300 0.171 0.000 1.073 33 I CB 2.197 40.279 38.000 0.136 0.000 1.251 33 I HN 0.451 nan 8.210 nan 0.000 0.426 34 K N 5.891 126.430 120.400 0.232 0.000 2.761 34 K HA 0.321 4.642 4.320 0.001 0.000 0.257 34 K C -0.649 176.041 176.600 0.150 0.000 1.053 34 K CA -0.184 56.156 56.287 0.088 0.000 1.035 34 K CB 0.499 32.934 32.500 -0.109 0.000 1.267 34 K HN 0.667 nan 8.250 nan 0.000 0.505 35 D N 1.913 122.390 120.400 0.129 0.000 3.955 35 D HA -0.241 4.399 4.640 0.001 0.000 0.142 35 D C 0.834 177.268 176.300 0.224 0.000 0.877 35 D CA 2.111 56.225 54.000 0.190 0.000 1.100 35 D CB -1.076 39.859 40.800 0.225 0.000 0.533 35 D HN 0.627 nan 8.370 nan 0.000 0.546 36 G N 0.471 109.424 108.800 0.256 0.000 3.026 36 G HA2 0.412 4.373 3.960 0.001 0.000 0.208 36 G HA3 0.412 4.373 3.960 0.001 0.000 0.208 36 G C 0.224 175.244 174.900 0.200 0.000 1.169 36 G CA 0.980 46.190 45.100 0.183 0.000 0.788 36 G HN 0.612 nan 8.290 nan 0.000 0.533 37 A N 0.152 123.133 122.820 0.267 0.000 2.271 37 A HA 0.637 4.957 4.320 0.001 0.000 0.317 37 A C -1.653 176.114 177.584 0.306 0.000 1.245 37 A CA -0.707 51.497 52.037 0.279 0.000 0.857 37 A CB 0.804 20.027 19.000 0.372 0.000 1.175 37 A HN 0.248 nan 8.150 nan 0.000 0.512 38 Y N 3.326 123.694 120.300 0.113 0.000 2.388 38 Y HA 0.517 5.068 4.550 0.001 0.000 0.328 38 Y C -0.748 175.191 175.900 0.064 0.000 0.963 38 Y CA -0.415 57.746 58.100 0.102 0.000 1.240 38 Y CB 1.271 39.775 38.460 0.074 0.000 1.118 38 Y HN 0.455 nan 8.280 nan 0.000 0.484 39 V N 6.035 125.853 119.914 -0.160 0.000 2.581 39 V HA 0.497 4.617 4.120 0.001 0.000 0.303 39 V C -0.731 175.297 176.094 -0.110 0.000 1.041 39 V CA -1.147 61.081 62.300 -0.120 0.000 0.907 39 V CB 1.895 33.608 31.823 -0.184 0.000 0.994 39 V HN 0.575 nan 8.190 nan 0.000 0.442 40 K N 2.595 122.990 120.400 -0.009 0.000 2.376 40 K HA 0.808 5.128 4.320 0.001 0.000 0.257 40 K C -1.591 175.076 176.600 0.112 0.000 0.939 40 K CA -0.576 55.746 56.287 0.058 0.000 0.809 40 K CB 2.393 34.938 32.500 0.074 0.000 1.121 40 K HN 0.438 nan 8.250 nan 0.000 0.425 41 V N 3.335 123.367 119.914 0.197 0.000 2.777 41 V HA 0.366 4.487 4.120 0.001 0.000 0.306 41 V C -1.746 174.545 176.094 0.328 0.000 1.112 41 V CA -0.751 61.692 62.300 0.238 0.000 0.917 41 V CB 1.934 33.919 31.823 0.270 0.000 1.018 41 V HN 0.659 nan 8.190 nan 0.000 0.426 42 K N 6.638 127.188 120.400 0.250 0.000 2.159 42 K HA 0.584 4.905 4.320 0.001 0.000 0.266 42 K C -2.717 174.045 176.600 0.271 0.000 0.975 42 K CA -1.823 54.623 56.287 0.265 0.000 0.865 42 K CB 1.842 34.431 32.500 0.148 0.000 1.087 42 K HN 0.430 nan 8.250 nan 0.000 0.446 43 P HA -0.089 nan 4.420 nan 0.000 0.265 43 P C 0.681 178.073 177.300 0.153 0.000 1.187 43 P CA 0.940 64.186 63.100 0.244 0.000 0.766 43 P CB 0.563 32.421 31.700 0.263 0.000 0.820 44 G N 1.826 110.693 108.800 0.113 0.000 2.302 44 G HA2 -0.311 3.649 3.960 0.001 0.000 0.263 44 G HA3 -0.311 3.649 3.960 0.001 0.000 0.263 44 G C 0.549 175.496 174.900 0.077 0.000 0.995 44 G CA 0.195 45.343 45.100 0.081 0.000 0.622 44 G HN 0.880 nan 8.290 nan 0.000 0.538 45 A N 0.493 123.369 122.820 0.094 0.000 2.511 45 A HA 0.532 4.853 4.320 0.001 0.000 0.242 45 A C 1.313 178.943 177.584 0.077 0.000 1.069 45 A CA 1.170 53.256 52.037 0.081 0.000 0.763 45 A CB 0.165 19.220 19.000 0.092 0.000 1.001 45 A HN 1.045 nan 8.150 nan 0.000 0.498 46 Q N 0.895 120.730 119.800 0.058 0.000 2.403 46 Q HA 0.144 4.485 4.340 0.001 0.000 0.203 46 Q C -0.349 175.680 176.000 0.047 0.000 0.932 46 Q CA 0.612 56.445 55.803 0.051 0.000 0.945 46 Q CB 0.026 28.786 28.738 0.037 0.000 1.045 46 Q HN 0.500 nan 8.270 nan 0.000 0.511 47 T N 0.545 115.131 114.554 0.053 0.000 2.916 47 T HA 0.722 5.073 4.350 0.001 0.000 0.298 47 T C -1.260 173.472 174.700 0.055 0.000 1.031 47 T CA -0.529 61.596 62.100 0.042 0.000 0.993 47 T CB 1.864 70.750 68.868 0.031 0.000 1.045 47 T HN 0.317 nan 8.240 nan 0.000 0.454 48 A N 2.635 125.476 122.820 0.035 0.000 2.386 48 A HA 0.902 5.223 4.320 0.001 0.000 0.308 48 A C -1.180 176.410 177.584 0.009 0.000 1.128 48 A CA -0.754 51.305 52.037 0.037 0.000 0.789 48 A CB 0.990 20.004 19.000 0.023 0.000 1.325 48 A HN 0.686 nan 8.150 nan 0.000 0.437 49 I N 1.709 122.289 120.570 0.018 0.000 2.362 49 I HA 0.383 4.553 4.170 0.001 0.000 0.289 49 I C -0.728 175.392 176.117 0.006 0.000 0.994 49 I CA -0.504 60.808 61.300 0.020 0.000 1.158 49 I CB 1.054 39.086 38.000 0.054 0.000 1.315 49 I HN 0.243 nan 8.210 nan 0.000 0.451 50 V N 6.338 126.247 119.914 -0.007 0.000 2.350 50 V HA 0.352 4.472 4.120 0.001 0.000 0.285 50 V C 0.554 176.674 176.094 0.042 0.000 1.014 50 V CA -0.825 61.469 62.300 -0.010 0.000 0.831 50 V CB 0.827 32.607 31.823 -0.072 0.000 1.000 50 V HN 0.879 nan 8.190 nan 0.000 0.433 51 N N 4.142 122.905 118.700 0.105 0.000 2.714 51 N HA -0.252 4.489 4.740 0.001 0.000 0.252 51 N C 1.185 176.731 175.510 0.060 0.000 1.014 51 N CA 0.415 53.524 53.050 0.098 0.000 0.735 51 N CB -0.671 37.856 38.487 0.067 0.000 0.924 51 N HN 1.359 nan 8.380 nan 0.000 0.540 52 G N -1.252 107.593 108.800 0.074 0.000 2.212 52 G HA2 -0.346 3.615 3.960 0.001 0.000 0.266 52 G HA3 -0.346 3.615 3.960 0.001 0.000 0.266 52 G C -0.077 174.841 174.900 0.031 0.000 0.978 52 G CA 0.488 45.616 45.100 0.047 0.000 0.632 52 G HN 0.431 nan 8.290 nan 0.000 0.537 53 Q N 0.818 120.634 119.800 0.025 0.000 2.256 53 Q HA 0.452 4.793 4.340 0.001 0.000 0.257 53 Q C -2.412 173.591 176.000 0.006 0.000 0.936 53 Q CA -1.871 53.939 55.803 0.012 0.000 0.903 53 Q CB 2.484 31.225 28.738 0.005 0.000 1.263 53 Q HN 0.340 nan 8.270 nan 0.000 0.440 54 P HA 0.194 nan 4.420 nan 0.000 0.280 54 P C -0.929 176.364 177.300 -0.012 0.000 1.244 54 P CA -0.493 62.607 63.100 0.001 0.000 0.784 54 P CB 0.915 32.619 31.700 0.006 0.000 0.913 55 L N 3.459 124.670 121.223 -0.020 0.000 2.404 55 L HA 0.642 4.983 4.340 0.001 0.000 0.272 55 L C -0.543 176.312 176.870 -0.025 0.000 0.980 55 L CA -0.879 53.938 54.840 -0.038 0.000 0.836 55 L CB 1.499 43.511 42.059 -0.078 0.000 1.238 55 L HN 0.435 nan 8.230 nan 0.000 0.408 56 A N 6.040 128.849 122.820 -0.019 0.000 2.450 56 A HA 0.577 4.897 4.320 0.001 0.000 0.255 56 A C -0.680 176.901 177.584 -0.006 0.000 1.096 56 A CA -0.090 51.944 52.037 -0.005 0.000 0.778 56 A CB -0.113 18.886 19.000 -0.003 0.000 1.031 56 A HN 0.738 nan 8.150 nan 0.000 0.494 57 L N 2.957 124.191 121.223 0.018 0.000 2.319 57 L HA 0.280 4.620 4.340 0.001 0.000 0.281 57 L C 1.436 178.331 176.870 0.042 0.000 1.005 57 L CA -0.355 54.507 54.840 0.037 0.000 0.828 57 L CB 1.523 43.633 42.059 0.086 0.000 1.227 57 L HN 1.074 nan 8.230 nan 0.000 0.415 58 Q N 2.345 122.164 119.800 0.033 0.000 2.084 58 Q HA -0.070 4.271 4.340 0.001 0.000 0.202 58 Q C 0.087 176.114 176.000 0.045 0.000 0.978 58 Q CA 1.185 57.007 55.803 0.032 0.000 0.844 58 Q CB 0.437 29.189 28.738 0.023 0.000 0.898 58 Q HN 0.496 nan 8.270 nan 0.000 0.426 59 V N 3.372 123.324 119.914 0.062 0.000 2.293 59 V HA 0.311 4.431 4.120 0.001 0.000 0.275 59 V C -2.187 173.963 176.094 0.093 0.000 1.021 59 V CA -1.547 60.796 62.300 0.071 0.000 0.815 59 V CB 0.940 32.810 31.823 0.078 0.000 1.025 59 V HN 0.264 nan 8.190 nan 0.000 0.448 60 P HA 0.154 nan 4.420 nan 0.000 0.272 60 P C -0.237 177.090 177.300 0.046 0.000 1.240 60 P CA -0.232 62.917 63.100 0.082 0.000 0.791 60 P CB 0.532 32.274 31.700 0.069 0.000 0.978 61 V N 1.518 121.446 119.914 0.022 0.000 2.637 61 V HA 0.065 4.185 4.120 0.001 0.000 0.296 61 V C 0.335 176.442 176.094 0.022 0.000 1.046 61 V CA 0.108 62.364 62.300 -0.074 0.000 1.066 61 V CB 0.869 32.611 31.823 -0.134 0.000 0.968 61 V HN 0.188 nan 8.190 nan 0.000 0.483 62 V N 6.274 126.213 119.914 0.043 0.000 2.417 62 V HA 0.392 4.513 4.120 0.001 0.000 0.291 62 V C 0.140 176.342 176.094 0.180 0.000 1.024 62 V CA -0.626 61.737 62.300 0.106 0.000 0.861 62 V CB 1.689 33.565 31.823 0.087 0.000 0.985 62 V HN 0.726 nan 8.190 nan 0.000 0.436 63 M N 5.048 124.723 119.600 0.125 0.000 2.206 63 M HA 0.379 4.859 4.480 0.001 0.000 0.353 63 M C -0.345 176.025 176.300 0.115 0.000 1.242 63 M CA -0.665 54.696 55.300 0.102 0.000 1.179 63 M CB 0.548 33.167 32.600 0.032 0.000 1.374 63 M HN 0.489 nan 8.290 nan 0.000 0.427 64 K N 3.066 123.599 120.400 0.221 0.000 2.334 64 K HA 0.209 4.530 4.320 0.001 0.000 0.265 64 K C -0.243 176.457 176.600 0.166 0.000 1.039 64 K CA 0.143 56.520 56.287 0.151 0.000 0.920 64 K CB 0.324 32.842 32.500 0.031 0.000 1.160 64 K HN 0.543 nan 8.250 nan 0.000 0.451 65 D N 4.272 124.720 120.400 0.080 0.000 2.689 65 D HA -0.270 4.370 4.640 0.001 0.000 0.237 65 D C -0.592 175.742 176.300 0.057 0.000 1.148 65 D CA 1.612 55.651 54.000 0.064 0.000 0.656 65 D CB -1.605 39.237 40.800 0.069 0.000 1.050 65 D HN 1.061 nan 8.370 nan 0.000 0.426 66 N N -1.716 117.002 118.700 0.029 0.000 2.909 66 N HA -0.228 4.512 4.740 0.001 0.000 0.242 66 N C -0.732 174.739 175.510 -0.065 0.000 0.975 66 N CA 1.108 54.143 53.050 -0.025 0.000 0.921 66 N CB -0.194 38.287 38.487 -0.011 0.000 1.112 66 N HN 0.258 nan 8.380 nan 0.000 0.581 67 K N 1.076 121.481 120.400 0.008 0.000 2.323 67 K HA 0.602 4.923 4.320 0.001 0.000 0.259 67 K C -0.698 175.832 176.600 -0.117 0.000 0.947 67 K CA -0.128 56.118 56.287 -0.068 0.000 0.819 67 K CB 1.605 34.156 32.500 0.085 0.000 1.109 67 K HN 0.178 nan 8.250 nan 0.000 0.429 68 A N 3.785 126.402 122.820 -0.337 0.000 2.327 68 A HA 0.576 4.897 4.320 0.001 0.000 0.283 68 A C -1.403 175.821 177.584 -0.600 0.000 1.127 68 A CA -0.307 51.547 52.037 -0.306 0.000 0.810 68 A CB 0.181 18.981 19.000 -0.332 0.000 1.066 68 A HN 0.652 nan 8.150 nan 0.000 0.492 69 W N 1.032 122.203 121.300 -0.214 0.000 2.998 69 W HA 0.526 5.187 4.660 0.001 0.000 0.335 69 W C -0.457 175.905 176.519 -0.261 0.000 1.110 69 W CA -0.607 56.618 57.345 -0.200 0.000 1.230 69 W CB 1.782 31.169 29.460 -0.122 0.000 1.405 69 W HN 0.706 nan 8.180 nan 0.000 0.493 70 V N -0.272 119.594 119.914 -0.079 0.000 3.001 70 V HA 0.744 4.865 4.120 0.001 0.000 0.314 70 V C 0.141 176.241 176.094 0.010 0.000 1.099 70 V CA -1.128 61.053 62.300 -0.199 0.000 0.989 70 V CB 1.281 32.718 31.823 -0.643 0.000 1.040 70 V HN 0.489 nan 8.190 nan 0.000 0.434 71 S N 1.044 116.786 115.700 0.069 0.000 2.573 71 S HA 0.061 4.532 4.470 0.001 0.000 0.277 71 S C 1.156 175.823 174.600 0.112 0.000 1.346 71 S CA 0.411 58.680 58.200 0.116 0.000 1.034 71 S CB 0.488 63.758 63.200 0.118 0.000 0.879 71 S HN 1.141 nan 8.310 nan 0.000 0.528 72 D N 1.954 122.408 120.400 0.091 0.000 2.354 72 D HA -0.125 4.516 4.640 0.001 0.000 0.216 72 D C 1.434 177.746 176.300 0.019 0.000 0.970 72 D CA 1.606 55.640 54.000 0.058 0.000 0.905 72 D CB -0.846 39.992 40.800 0.063 0.000 0.903 72 D HN 0.601 nan 8.370 nan 0.000 0.508 73 T N -4.298 110.264 114.554 0.014 0.000 3.069 73 T HA 0.115 4.465 4.350 0.001 0.000 0.252 73 T C 1.508 176.222 174.700 0.022 0.000 1.053 73 T CA -0.567 61.525 62.100 -0.014 0.000 0.964 73 T CB -0.671 68.161 68.868 -0.061 0.000 1.005 73 T HN 0.014 nan 8.240 nan 0.000 0.532 74 F N 2.724 122.636 119.950 -0.063 0.000 2.027 74 F HA -0.074 4.453 4.527 0.001 0.000 0.297 74 F C 1.892 177.654 175.800 -0.064 0.000 1.129 74 F CA 1.437 59.400 58.000 -0.062 0.000 1.195 74 F CB -0.495 38.474 39.000 -0.052 0.000 0.960 74 F HN 0.083 nan 8.300 nan 0.000 0.485 75 I N 0.228 120.822 120.570 0.039 0.000 2.145 75 I HA -0.415 3.756 4.170 0.001 0.000 0.244 75 I C 2.252 178.281 176.117 -0.148 0.000 1.075 75 I CA 2.086 63.323 61.300 -0.104 0.000 1.332 75 I CB -0.767 36.972 38.000 -0.436 0.000 1.033 75 I HN 0.330 nan 8.210 nan 0.000 0.410 76 N N 0.905 119.517 118.700 -0.147 0.000 2.106 76 N HA -0.203 4.538 4.740 0.001 0.000 0.188 76 N C 1.479 176.919 175.510 -0.117 0.000 1.029 76 N CA 1.804 54.792 53.050 -0.104 0.000 0.848 76 N CB -0.096 38.343 38.487 -0.079 0.000 1.007 76 N HN 0.218 nan 8.380 nan 0.000 0.423 77 D N -0.228 120.075 120.400 -0.162 0.000 2.104 77 D HA -0.124 4.517 4.640 0.001 0.000 0.194 77 D C 2.000 178.147 176.300 -0.255 0.000 0.994 77 D CA 1.139 55.030 54.000 -0.181 0.000 0.830 77 D CB -0.397 40.297 40.800 -0.175 0.000 0.959 77 D HN 0.188 nan 8.370 nan 0.000 0.452 78 V N 0.612 120.258 119.914 -0.446 0.000 2.249 78 V HA -0.176 3.945 4.120 0.001 0.000 0.239 78 V C 2.294 178.118 176.094 -0.451 0.000 1.038 78 V CA 1.246 63.197 62.300 -0.581 0.000 1.005 78 V CB -0.793 30.383 31.823 -1.078 0.000 0.646 78 V HN -0.007 nan 8.190 nan 0.000 0.455 79 F N 0.355 120.184 119.950 -0.203 0.000 2.161 79 F HA -0.157 4.371 4.527 0.001 0.000 0.300 79 F C 2.065 177.857 175.800 -0.014 0.000 1.089 79 F CA 1.317 59.288 58.000 -0.049 0.000 1.282 79 F CB -0.416 38.598 39.000 0.023 0.000 1.010 79 F HN 0.209 nan 8.300 nan 0.000 0.485 80 Q N -0.422 119.432 119.800 0.091 0.000 2.286 80 Q HA 0.106 4.446 4.340 0.001 0.000 0.281 80 Q C 1.651 177.652 176.000 0.001 0.000 0.897 80 Q CA 0.156 55.992 55.803 0.055 0.000 1.023 80 Q CB 0.230 28.990 28.738 0.036 0.000 1.151 80 Q HN 0.304 nan 8.270 nan 0.000 0.445 81 S N -1.481 114.203 115.700 -0.027 0.000 2.377 81 S HA 0.118 4.589 4.470 0.001 0.000 0.223 81 S C 1.626 176.217 174.600 -0.014 0.000 1.030 81 S CA 0.897 59.070 58.200 -0.046 0.000 0.970 81 S CB 0.117 63.265 63.200 -0.087 0.000 0.830 81 S HN 0.507 nan 8.310 nan 0.000 0.473 82 G N 0.767 109.572 108.800 0.009 0.000 2.380 82 G HA2 -0.170 3.791 3.960 0.001 0.000 0.197 82 G HA3 -0.170 3.791 3.960 0.001 0.000 0.197 82 G C 0.723 175.637 174.900 0.023 0.000 1.001 82 G CA 0.109 45.223 45.100 0.023 0.000 0.668 82 G HN 0.421 nan 8.290 nan 0.000 0.483 83 L N 1.014 122.241 121.223 0.007 0.000 2.362 83 L HA 0.130 4.470 4.340 0.001 0.000 0.219 83 L C 0.944 177.831 176.870 0.029 0.000 1.134 83 L CA 1.156 56.000 54.840 0.007 0.000 0.807 83 L CB -0.105 41.946 42.059 -0.014 0.000 0.927 83 L HN 0.247 nan 8.230 nan 0.000 0.447 84 D N 0.403 120.834 120.400 0.051 0.000 2.428 84 D HA 0.078 4.718 4.640 0.001 0.000 0.221 84 D C 0.443 176.801 176.300 0.098 0.000 1.123 84 D CA -0.081 53.972 54.000 0.089 0.000 0.869 84 D CB 0.947 41.833 40.800 0.144 0.000 1.032 84 D HN 0.152 nan 8.370 nan 0.000 0.506 85 Q N 2.091 121.930 119.800 0.064 0.000 2.222 85 Q HA 0.067 4.408 4.340 0.001 0.000 0.206 85 Q C 1.197 177.216 176.000 0.032 0.000 0.877 85 Q CA -0.040 55.795 55.803 0.054 0.000 0.958 85 Q CB 0.494 29.247 28.738 0.026 0.000 1.075 85 Q HN 0.443 nan 8.270 nan 0.000 0.483 86 T N 0.596 115.169 114.554 0.032 0.000 2.684 86 T HA -0.113 4.238 4.350 0.001 0.000 0.267 86 T C 0.204 174.754 174.700 -0.249 0.000 1.036 86 T CA 1.258 63.283 62.100 -0.126 0.000 1.148 86 T CB -0.060 68.740 68.868 -0.113 0.000 0.863 86 T HN 0.131 nan 8.240 nan 0.000 0.436 87 F N 1.649 121.633 119.950 0.057 0.000 2.427 87 F HA 0.507 5.035 4.527 0.001 0.000 0.346 87 F C 0.434 176.257 175.800 0.037 0.000 1.120 87 F CA -1.135 56.895 58.000 0.049 0.000 1.033 87 F CB 1.039 40.069 39.000 0.049 0.000 1.126 87 F HN -0.165 nan 8.300 nan 0.000 0.462 88 Q N 1.723 121.624 119.800 0.169 0.000 2.351 88 Q HA 0.522 4.862 4.340 0.001 0.000 0.273 88 Q C -0.801 175.263 176.000 0.107 0.000 1.077 88 Q CA -1.044 54.825 55.803 0.111 0.000 0.843 88 Q CB 2.869 31.643 28.738 0.061 0.000 1.367 88 Q HN 0.372 nan 8.270 nan 0.000 0.449 89 V N 1.409 121.370 119.914 0.080 0.000 2.488 89 V HA 0.060 4.180 4.120 0.001 0.000 0.277 89 V C 0.474 176.606 176.094 0.064 0.000 1.046 89 V CA -0.269 62.072 62.300 0.069 0.000 0.986 89 V CB 0.960 32.815 31.823 0.053 0.000 0.989 89 V HN 0.672 nan 8.190 nan 0.000 0.475 90 E N 4.254 124.497 120.200 0.071 0.000 2.265 90 E HA 0.101 4.451 4.350 0.001 0.000 0.272 90 E C 0.724 177.370 176.600 0.077 0.000 1.067 90 E CA -0.167 56.282 56.400 0.082 0.000 0.900 90 E CB 0.663 30.423 29.700 0.100 0.000 1.017 90 E HN 0.563 nan 8.360 nan 0.000 0.431 91 K N 3.257 123.700 120.400 0.073 0.000 1.973 91 K HA -0.090 4.230 4.320 0.001 0.000 0.210 91 K C 0.899 177.548 176.600 0.081 0.000 1.045 91 K CA 1.071 57.396 56.287 0.063 0.000 0.937 91 K CB 0.109 32.637 32.500 0.047 0.000 0.721 91 K HN 0.332 nan 8.250 nan 0.000 0.438 92 R N 1.638 122.207 120.500 0.116 0.000 2.265 92 R HA 0.223 4.564 4.340 0.001 0.000 0.328 92 R C -2.713 173.725 176.300 0.230 0.000 0.969 92 R CA -2.077 54.121 56.100 0.164 0.000 0.832 92 R CB 1.123 31.529 30.300 0.176 0.000 1.139 92 R HN -0.110 nan 8.270 nan 0.000 0.457 93 P HA -0.086 nan 4.420 nan 0.000 0.261 93 P C -1.029 176.281 177.300 0.017 0.000 1.183 93 P CA 0.273 63.433 63.100 0.100 0.000 0.761 93 P CB 0.284 32.006 31.700 0.037 0.000 0.785 94 H N 6.625 125.670 119.070 -0.042 0.000 2.886 94 H HA 0.047 4.603 4.556 0.001 0.000 0.329 94 H C -0.963 174.092 175.328 -0.455 0.000 1.044 94 H CA -1.089 54.782 56.048 -0.293 0.000 1.456 94 H CB 0.707 30.455 29.762 -0.024 0.000 1.464 94 H HN 0.373 nan 8.280 nan 0.000 0.573 95 P HA -0.183 nan 4.420 nan 0.000 0.219 95 P C 0.843 177.966 177.300 -0.295 0.000 1.146 95 P CA 1.196 63.962 63.100 -0.557 0.000 0.808 95 P CB 0.367 31.668 31.700 -0.665 0.000 0.779 96 L N -1.191 119.909 121.223 -0.205 0.000 2.612 96 L HA 0.114 4.454 4.340 0.001 0.000 0.230 96 L C 0.527 177.303 176.870 -0.157 0.000 1.140 96 L CA -0.271 54.419 54.840 -0.249 0.000 0.896 96 L CB -0.927 40.835 42.059 -0.494 0.000 1.065 96 L HN -0.116 nan 8.230 nan 0.000 0.447 97 N N 1.903 120.606 118.700 0.004 0.000 2.454 97 N HA 0.122 4.863 4.740 0.001 0.000 0.260 97 N C 0.373 175.910 175.510 0.044 0.000 1.218 97 N CA 0.188 53.318 53.050 0.134 0.000 0.904 97 N CB 0.806 39.360 38.487 0.111 0.000 1.065 97 N HN 0.115 nan 8.380 nan 0.000 0.462 98 A N 2.706 125.553 122.820 0.045 0.000 2.492 98 A HA 0.140 4.460 4.320 0.001 0.000 0.236 98 A C 0.535 178.114 177.584 -0.008 0.000 1.078 98 A CA -0.344 51.693 52.037 0.000 0.000 0.773 98 A CB -0.024 18.967 19.000 -0.016 0.000 1.023 98 A HN 0.697 nan 8.150 nan 0.000 0.504 99 L N 1.593 122.805 121.223 -0.018 0.000 2.525 99 L HA 0.116 4.456 4.340 0.001 0.000 0.278 99 L C 1.482 178.340 176.870 -0.021 0.000 1.218 99 L CA 0.065 54.892 54.840 -0.022 0.000 0.878 99 L CB -0.194 41.849 42.059 -0.028 0.000 1.127 99 L HN 0.964 nan 8.230 nan 0.000 0.492 100 T N -0.150 114.392 114.554 -0.020 0.000 2.788 100 T HA 0.328 4.678 4.350 0.001 0.000 0.287 100 T C 1.236 175.920 174.700 -0.027 0.000 1.007 100 T CA -0.229 61.860 62.100 -0.019 0.000 1.005 100 T CB 1.377 70.236 68.868 -0.015 0.000 1.012 100 T HN 0.634 nan 8.240 nan 0.000 0.530 101 A N 0.634 123.438 122.820 -0.026 0.000 1.940 101 A HA -0.077 4.243 4.320 0.001 0.000 0.219 101 A C 2.000 179.561 177.584 -0.039 0.000 1.176 101 A CA 1.742 53.760 52.037 -0.033 0.000 0.631 101 A CB -1.028 17.956 19.000 -0.027 0.000 0.814 101 A HN 0.889 nan 8.150 nan 0.000 0.446 102 D N -0.371 120.010 120.400 -0.031 0.000 2.117 102 D HA -0.093 4.548 4.640 0.001 0.000 0.198 102 D C 1.952 178.229 176.300 -0.038 0.000 0.982 102 D CA 1.367 55.348 54.000 -0.032 0.000 0.828 102 D CB -0.380 40.406 40.800 -0.023 0.000 0.967 102 D HN 0.635 nan 8.370 nan 0.000 0.464 103 E N 0.164 120.343 120.200 -0.035 0.000 2.077 103 E HA -0.109 4.242 4.350 0.001 0.000 0.193 103 E C 2.305 178.872 176.600 -0.055 0.000 0.989 103 E CA 0.413 56.790 56.400 -0.038 0.000 0.800 103 E CB 0.000 29.682 29.700 -0.030 0.000 0.746 103 E HN 0.295 nan 8.360 nan 0.000 0.452 104 I N 1.229 121.761 120.570 -0.064 0.000 2.127 104 I HA -0.323 3.847 4.170 0.001 0.000 0.241 104 I C 2.255 178.297 176.117 -0.125 0.000 1.075 104 I CA 1.370 62.613 61.300 -0.095 0.000 1.334 104 I CB -0.249 37.698 38.000 -0.089 0.000 1.040 104 I HN 0.034 nan 8.210 nan 0.000 0.405 105 K N 0.152 120.491 120.400 -0.101 0.000 2.209 105 K HA -0.237 4.083 4.320 0.001 0.000 0.204 105 K C 2.129 178.672 176.600 -0.095 0.000 1.048 105 K CA 1.126 57.351 56.287 -0.104 0.000 0.940 105 K CB -0.181 32.274 32.500 -0.074 0.000 0.729 105 K HN 0.413 nan 8.250 nan 0.000 0.451 106 Q N 0.540 120.296 119.800 -0.073 0.000 2.083 106 Q HA -0.104 4.236 4.340 0.001 0.000 0.198 106 Q C 2.035 177.999 176.000 -0.059 0.000 0.969 106 Q CA 1.262 57.031 55.803 -0.056 0.000 0.838 106 Q CB -0.029 28.686 28.738 -0.039 0.000 0.900 106 Q HN 0.319 nan 8.270 nan 0.000 0.436 107 A N -0.078 122.699 122.820 -0.071 0.000 1.969 107 A HA -0.099 4.221 4.320 0.001 0.000 0.218 107 A C 2.127 179.657 177.584 -0.089 0.000 1.169 107 A CA 1.277 53.277 52.037 -0.061 0.000 0.635 107 A CB -0.468 18.492 19.000 -0.067 0.000 0.810 107 A HN 0.296 nan 8.150 nan 0.000 0.445 108 V N 0.061 119.868 119.914 -0.178 0.000 2.548 108 V HA -0.225 3.896 4.120 0.001 0.000 0.249 108 V C 2.325 178.331 176.094 -0.148 0.000 1.055 108 V CA 2.106 64.258 62.300 -0.247 0.000 1.065 108 V CB -0.743 30.865 31.823 -0.359 0.000 0.681 108 V HN 0.639 nan 8.190 nan 0.000 0.462 109 E N 0.143 120.275 120.200 -0.114 0.000 2.047 109 E HA -0.159 4.191 4.350 0.001 0.000 0.191 109 E C 2.207 178.763 176.600 -0.073 0.000 0.987 109 E CA 1.405 57.747 56.400 -0.097 0.000 0.799 109 E CB -0.179 29.481 29.700 -0.067 0.000 0.752 109 E HN 0.531 nan 8.360 nan 0.000 0.449 110 I N 1.237 121.789 120.570 -0.030 0.000 2.127 110 I HA -0.262 3.908 4.170 0.001 0.000 0.241 110 I C 2.687 178.846 176.117 0.071 0.000 1.075 110 I CA 1.300 62.611 61.300 0.019 0.000 1.334 110 I CB -0.582 37.442 38.000 0.040 0.000 1.040 110 I HN 0.107 nan 8.210 nan 0.000 0.405 111 V N -1.553 118.437 119.914 0.126 0.000 2.548 111 V HA -0.150 3.971 4.120 0.001 0.000 0.249 111 V C 2.166 178.318 176.094 0.096 0.000 1.055 111 V CA 1.329 63.831 62.300 0.336 0.000 1.065 111 V CB -0.844 31.308 31.823 0.548 0.000 0.681 111 V HN 0.335 nan 8.190 nan 0.000 0.462 112 K N 1.188 121.364 120.400 -0.373 0.000 2.288 112 K HA 0.195 4.515 4.320 0.001 0.000 0.201 112 K C 1.999 178.423 176.600 -0.293 0.000 1.048 112 K CA 1.197 56.978 56.287 -0.844 0.000 0.956 112 K CB -0.219 31.882 32.500 -0.666 0.000 0.746 112 K HN 0.603 nan 8.250 nan 0.000 0.461 113 A N 1.000 123.747 122.820 -0.122 0.000 2.275 113 A HA 0.047 4.368 4.320 0.001 0.000 0.212 113 A C 0.769 178.345 177.584 -0.014 0.000 1.201 113 A CA -0.108 51.898 52.037 -0.051 0.000 0.843 113 A CB 0.169 19.147 19.000 -0.036 0.000 0.873 113 A HN 0.104 nan 8.150 nan 0.000 0.492 114 S N -0.265 115.448 115.700 0.022 0.000 2.548 114 S HA 0.451 4.922 4.470 0.001 0.000 0.277 114 S C 1.515 176.052 174.600 -0.105 0.000 1.315 114 S CA 0.050 58.238 58.200 -0.020 0.000 1.050 114 S CB 0.996 64.216 63.200 0.033 0.000 0.918 114 S HN 0.768 nan 8.310 nan 0.000 0.497 115 A N 4.338 127.060 122.820 -0.163 0.000 1.903 115 A HA -0.175 4.145 4.320 0.001 0.000 0.219 115 A C 1.463 178.908 177.584 -0.231 0.000 1.191 115 A CA 2.477 54.415 52.037 -0.164 0.000 0.638 115 A CB -1.100 17.803 19.000 -0.162 0.000 0.823 115 A HN 0.913 nan 8.150 nan 0.000 0.451 116 D N -2.069 118.037 120.400 -0.491 0.000 2.355 116 D HA 0.133 4.774 4.640 0.001 0.000 0.218 116 D C 0.315 176.377 176.300 -0.398 0.000 1.004 116 D CA -0.072 53.593 54.000 -0.559 0.000 0.880 116 D CB -0.162 40.079 40.800 -0.932 0.000 0.911 116 D HN 0.421 nan 8.370 nan 0.000 0.528 117 F N 2.386 122.096 119.950 -0.401 0.000 2.571 117 F HA 0.063 4.590 4.527 0.000 0.000 0.384 117 F C 0.422 176.271 175.800 0.082 0.000 1.058 117 F CA -0.314 57.739 58.000 0.088 0.000 1.200 117 F CB 0.409 39.531 39.000 0.204 0.000 1.077 117 F HN -0.369 nan 8.300 nan 0.000 0.558 118 K N 7.949 128.182 120.400 -0.280 0.000 2.156 118 K HA 0.374 4.694 4.320 0.001 0.000 0.271 118 K C -2.406 174.104 176.600 -0.151 0.000 0.995 118 K CA -2.228 53.971 56.287 -0.146 0.000 0.890 118 K CB 0.921 33.344 32.500 -0.129 0.000 1.073 118 K HN 0.355 nan 8.250 nan 0.000 0.454 119 P HA 0.023 nan 4.420 nan 0.000 0.267 119 P C -0.117 177.207 177.300 0.041 0.000 1.201 119 P CA 0.315 63.502 63.100 0.145 0.000 0.775 119 P CB 0.373 32.141 31.700 0.113 0.000 0.854 120 N N -2.152 116.599 118.700 0.085 0.000 2.828 120 N HA -0.133 4.607 4.740 0.001 0.000 0.248 120 N C -0.650 174.828 175.510 -0.052 0.000 1.044 120 N CA 1.162 54.234 53.050 0.036 0.000 0.851 120 N CB -2.230 36.271 38.487 0.023 0.000 1.136 120 N HN 0.366 nan 8.380 nan 0.000 0.572 121 T N 1.788 116.239 114.554 -0.173 0.000 2.799 121 T HA 0.198 4.549 4.350 0.001 0.000 0.296 121 T C 1.020 175.476 174.700 -0.407 0.000 0.947 121 T CA -0.023 61.848 62.100 -0.382 0.000 1.141 121 T CB 0.929 69.290 68.868 -0.844 0.000 0.891 121 T HN 0.080 nan 8.240 nan 0.000 0.533 122 R N 1.659 121.964 120.500 -0.324 0.000 2.553 122 R HA 0.501 4.842 4.340 0.001 0.000 0.263 122 R C -0.775 175.240 176.300 -0.476 0.000 1.066 122 R CA -0.586 55.376 56.100 -0.230 0.000 1.135 122 R CB 0.712 31.063 30.300 0.086 0.000 1.148 122 R HN 0.469 nan 8.270 nan 0.000 0.558 123 F N 0.293 120.334 119.950 0.151 0.000 2.366 123 F HA 0.162 4.689 4.527 0.001 0.000 0.366 123 F C 1.476 177.347 175.800 0.118 0.000 1.096 123 F CA -0.624 57.443 58.000 0.111 0.000 1.060 123 F CB 1.581 40.638 39.000 0.095 0.000 1.282 123 F HN 0.632 nan 8.300 nan 0.000 0.450 124 T N -1.625 113.046 114.554 0.195 0.000 2.821 124 T HA -0.073 4.277 4.350 0.001 0.000 0.267 124 T C 0.450 175.238 174.700 0.147 0.000 1.046 124 T CA 0.976 63.166 62.100 0.149 0.000 1.139 124 T CB 0.143 69.070 68.868 0.099 0.000 0.871 124 T HN 0.551 nan 8.240 nan 0.000 0.454 125 E N -0.383 119.913 120.200 0.159 0.000 2.343 125 E HA 0.481 4.832 4.350 0.001 0.000 0.286 125 E C -1.904 174.767 176.600 0.118 0.000 0.915 125 E CA -0.661 55.810 56.400 0.119 0.000 0.784 125 E CB 1.696 31.438 29.700 0.069 0.000 1.251 125 E HN 0.389 nan 8.360 nan 0.000 0.407 126 I N 3.291 123.908 120.570 0.078 0.000 2.437 126 I HA 0.347 4.517 4.170 0.001 0.000 0.279 126 I C -0.680 175.445 176.117 0.013 0.000 1.028 126 I CA -0.306 61.014 61.300 0.032 0.000 1.142 126 I CB 1.583 39.560 38.000 -0.040 0.000 1.266 126 I HN 0.273 nan 8.210 nan 0.000 0.461 127 S N 4.984 120.695 115.700 0.018 0.000 2.569 127 S HA 0.507 4.978 4.470 0.001 0.000 0.280 127 S C -0.673 173.928 174.600 0.001 0.000 1.111 127 S CA -0.644 57.560 58.200 0.007 0.000 0.887 127 S CB 2.404 65.614 63.200 0.016 0.000 1.095 127 S HN 0.474 nan 8.310 nan 0.000 0.476 128 L N 2.542 123.759 121.223 -0.011 0.000 2.559 128 L HA 0.276 4.616 4.340 0.001 0.000 0.282 128 L C -0.462 176.402 176.870 -0.010 0.000 1.232 128 L CA 0.360 55.190 54.840 -0.016 0.000 0.885 128 L CB 0.017 42.058 42.059 -0.030 0.000 1.131 128 L HN 0.684 nan 8.230 nan 0.000 0.498 129 L N 8.570 129.790 121.223 -0.006 0.000 2.278 129 L HA 0.428 4.769 4.340 0.001 0.000 0.287 129 L C -1.831 175.036 176.870 -0.006 0.000 1.072 129 L CA -1.871 52.969 54.840 0.001 0.000 0.819 129 L CB 0.681 42.746 42.059 0.009 0.000 1.176 129 L HN 0.625 nan 8.230 nan 0.000 0.435 130 P HA 0.024 nan 4.420 nan 0.000 0.253 130 P C -2.474 174.835 177.300 0.016 0.000 1.159 130 P CA -0.626 62.480 63.100 0.011 0.000 0.779 130 P CB -0.230 31.493 31.700 0.039 0.000 0.745 131 P HA 0.060 nan 4.420 nan 0.000 0.273 131 P C -0.250 177.059 177.300 0.016 0.000 1.250 131 P CA -0.138 62.956 63.100 -0.011 0.000 0.793 131 P CB 0.255 31.923 31.700 -0.054 0.000 1.011 132 D N 0.390 120.796 120.400 0.011 0.000 2.502 132 D HA -0.099 4.542 4.640 0.001 0.000 0.249 132 D C 1.328 177.615 176.300 -0.020 0.000 1.188 132 D CA 0.488 54.498 54.000 0.016 0.000 0.890 132 D CB 0.375 41.186 40.800 0.018 0.000 1.140 132 D HN 0.257 nan 8.370 nan 0.000 0.505 133 K N 3.442 123.795 120.400 -0.079 0.000 2.089 133 K HA -0.304 4.017 4.320 0.001 0.000 0.210 133 K C 1.573 178.019 176.600 -0.256 0.000 1.048 133 K CA 1.699 57.753 56.287 -0.389 0.000 0.926 133 K CB 0.031 32.073 32.500 -0.763 0.000 0.714 133 K HN 0.663 nan 8.250 nan 0.000 0.448 134 E N -0.384 119.766 120.200 -0.083 0.000 2.051 134 E HA -0.197 4.154 4.350 0.001 0.000 0.192 134 E C 1.849 178.502 176.600 0.089 0.000 0.991 134 E CA 1.109 57.529 56.400 0.034 0.000 0.799 134 E CB -0.161 29.558 29.700 0.032 0.000 0.748 134 E HN 0.488 nan 8.360 nan 0.000 0.449 135 A N 0.375 123.228 122.820 0.054 0.000 1.972 135 A HA -0.131 4.190 4.320 0.001 0.000 0.219 135 A C 2.355 180.000 177.584 0.103 0.000 1.169 135 A CA 1.260 53.341 52.037 0.073 0.000 0.635 135 A CB -0.489 18.533 19.000 0.037 0.000 0.810 135 A HN 0.220 nan 8.150 nan 0.000 0.446 136 V N -2.359 117.591 119.914 0.061 0.000 2.358 136 V HA -0.270 3.851 4.120 0.001 0.000 0.246 136 V C 2.191 178.410 176.094 0.207 0.000 1.047 136 V CA 1.656 63.986 62.300 0.049 0.000 1.035 136 V CB -0.890 30.959 31.823 0.043 0.000 0.658 136 V HN 0.802 nan 8.190 nan 0.000 0.452 137 W N -0.162 121.227 121.300 0.149 0.000 2.381 137 W HA -0.079 4.582 4.660 0.001 0.000 0.301 137 W C 2.575 179.168 176.519 0.123 0.000 1.205 137 W CA 0.819 58.256 57.345 0.153 0.000 1.285 137 W CB -0.192 29.311 29.460 0.072 0.000 1.133 137 W HN 0.192 nan 8.180 nan 0.000 0.521 138 A N -0.232 122.795 122.820 0.344 0.000 1.978 138 A HA -0.266 4.055 4.320 0.001 0.000 0.220 138 A C 1.643 179.343 177.584 0.192 0.000 1.170 138 A CA 1.645 53.806 52.037 0.207 0.000 0.636 138 A CB -1.148 17.939 19.000 0.144 0.000 0.810 138 A HN 0.436 nan 8.150 nan 0.000 0.448 139 F N 0.762 120.759 119.950 0.079 0.000 2.128 139 F HA 0.080 4.608 4.527 0.001 0.000 0.295 139 F C 2.449 178.284 175.800 0.059 0.000 1.100 139 F CA 1.203 59.214 58.000 0.019 0.000 1.260 139 F CB -0.484 38.467 39.000 -0.082 0.000 1.009 139 F HN 0.216 nan 8.300 nan 0.000 0.476 140 A N 0.400 123.459 122.820 0.398 0.000 1.969 140 A HA -0.048 4.272 4.320 0.001 0.000 0.218 140 A C 2.167 179.893 177.584 0.236 0.000 1.169 140 A CA 1.798 54.057 52.037 0.371 0.000 0.635 140 A CB -0.929 18.403 19.000 0.554 0.000 0.810 140 A HN 0.517 nan 8.150 nan 0.000 0.445 141 L N -2.168 119.195 121.223 0.234 0.000 2.357 141 L HA 0.127 4.468 4.340 0.001 0.000 0.211 141 L C 1.652 178.543 176.870 0.036 0.000 1.075 141 L CA 0.728 55.646 54.840 0.130 0.000 0.830 141 L CB 0.021 42.144 42.059 0.108 0.000 0.996 141 L HN 0.314 nan 8.230 nan 0.000 0.467 142 E N -0.389 119.818 120.200 0.012 0.000 2.601 142 E HA 0.046 4.396 4.350 0.001 0.000 0.219 142 E C 0.074 176.614 176.600 -0.100 0.000 0.964 142 E CA -0.114 56.268 56.400 -0.029 0.000 1.050 142 E CB 0.441 30.142 29.700 0.001 0.000 1.068 142 E HN 0.307 nan 8.360 nan 0.000 0.496 143 N N 2.085 120.650 118.700 -0.225 0.000 2.693 143 N HA -0.217 4.524 4.740 0.001 0.000 0.249 143 N C -0.476 174.880 175.510 -0.256 0.000 1.119 143 N CA 0.553 53.341 53.050 -0.436 0.000 0.717 143 N CB -0.431 37.868 38.487 -0.313 0.000 1.071 143 N HN 0.019 nan 8.380 nan 0.000 0.555 144 K N 1.698 122.039 120.400 -0.098 0.000 2.285 144 K HA 0.270 4.590 4.320 0.001 0.000 0.286 144 K C -2.212 174.480 176.600 0.153 0.000 1.072 144 K CA -1.332 54.969 56.287 0.024 0.000 0.913 144 K CB 0.878 33.405 32.500 0.045 0.000 1.067 144 K HN 0.191 nan 8.250 nan 0.000 0.479 145 P HA -0.081 nan 4.420 nan 0.000 0.265 145 P C 1.046 178.436 177.300 0.150 0.000 1.187 145 P CA -0.122 63.110 63.100 0.221 0.000 0.766 145 P CB 0.743 32.519 31.700 0.127 0.000 0.820 146 V N 2.405 122.381 119.914 0.103 0.000 2.233 146 V HA -0.241 3.879 4.120 0.001 0.000 0.247 146 V C 0.948 177.057 176.094 0.024 0.000 1.050 146 V CA 2.201 64.517 62.300 0.027 0.000 1.010 146 V CB -1.287 30.495 31.823 -0.068 0.000 0.637 146 V HN 0.720 nan 8.190 nan 0.000 0.444 147 D N 0.378 120.787 120.400 0.015 0.000 2.873 147 D HA -0.143 4.498 4.640 0.001 0.000 0.228 147 D C 0.226 176.531 176.300 0.007 0.000 1.122 147 D CA 1.118 55.127 54.000 0.015 0.000 0.758 147 D CB -0.888 39.927 40.800 0.025 0.000 1.094 147 D HN 0.892 nan 8.370 nan 0.000 0.434 148 Q N -0.458 119.340 119.800 -0.003 0.000 2.323 148 Q HA 0.616 4.956 4.340 0.001 0.000 0.271 148 Q C -2.882 173.112 176.000 -0.010 0.000 1.048 148 Q CA -1.564 54.237 55.803 -0.003 0.000 0.792 148 Q CB 2.664 31.401 28.738 -0.001 0.000 1.280 148 Q HN -0.162 nan 8.270 nan 0.000 0.441 149 P HA -0.071 nan 4.420 nan 0.000 0.263 149 P C -0.657 176.636 177.300 -0.012 0.000 1.175 149 P CA 0.073 63.170 63.100 -0.006 0.000 0.761 149 P CB 0.540 32.241 31.700 0.002 0.000 0.794 150 R N 3.226 123.715 120.500 -0.018 0.000 2.458 150 R HA 0.106 4.447 4.340 0.001 0.000 0.303 150 R C 0.663 176.956 176.300 -0.012 0.000 1.013 150 R CA 0.497 56.583 56.100 -0.023 0.000 1.026 150 R CB 0.173 30.457 30.300 -0.027 0.000 0.948 150 R HN 0.522 nan 8.270 nan 0.000 0.417 151 K N 1.078 121.471 120.400 -0.010 0.000 2.221 151 K HA 0.680 5.001 4.320 0.001 0.000 0.243 151 K C -0.784 175.816 176.600 -0.000 0.000 0.968 151 K CA -0.792 55.496 56.287 0.001 0.000 0.846 151 K CB 2.234 34.739 32.500 0.008 0.000 1.141 151 K HN 0.562 nan 8.250 nan 0.000 0.434 152 A N 1.575 124.399 122.820 0.008 0.000 2.398 152 A HA 0.341 4.662 4.320 0.001 0.000 0.301 152 A C -1.449 176.149 177.584 0.022 0.000 1.041 152 A CA -0.822 51.220 52.037 0.008 0.000 0.711 152 A CB 0.968 19.967 19.000 -0.003 0.000 1.240 152 A HN 0.631 nan 8.150 nan 0.000 0.420 153 D N 1.847 122.262 120.400 0.026 0.000 2.316 153 D HA 0.397 5.037 4.640 0.001 0.000 0.245 153 D C -0.596 175.734 176.300 0.051 0.000 1.171 153 D CA 0.321 54.344 54.000 0.039 0.000 0.856 153 D CB 1.633 42.459 40.800 0.043 0.000 1.090 153 D HN 0.155 nan 8.370 nan 0.000 0.476 154 V N 5.111 125.061 119.914 0.060 0.000 2.293 154 V HA 0.311 4.431 4.120 0.001 0.000 0.275 154 V C 0.496 176.643 176.094 0.088 0.000 1.021 154 V CA -0.654 61.708 62.300 0.104 0.000 0.815 154 V CB 0.842 32.748 31.823 0.139 0.000 1.025 154 V HN 0.357 nan 8.190 nan 0.000 0.448 155 I N 6.842 127.484 120.570 0.120 0.000 2.312 155 I HA 0.478 4.648 4.170 0.001 0.000 0.290 155 I C 0.157 176.324 176.117 0.084 0.000 1.008 155 I CA -0.100 61.249 61.300 0.083 0.000 1.226 155 I CB 1.065 39.138 38.000 0.122 0.000 1.371 155 I HN 0.568 nan 8.210 nan 0.000 0.468 156 M N 6.207 125.775 119.600 -0.054 0.000 2.664 156 M HA 0.589 5.070 4.480 0.001 0.000 0.314 156 M C -1.205 174.989 176.300 -0.177 0.000 1.200 156 M CA -1.054 54.144 55.300 -0.170 0.000 0.916 156 M CB 2.644 35.035 32.600 -0.350 0.000 1.717 156 M HN 0.302 nan 8.290 nan 0.000 0.470 157 L N 2.289 123.398 121.223 -0.190 0.000 2.313 157 L HA 0.385 4.726 4.340 0.001 0.000 0.273 157 L C -0.937 175.836 176.870 -0.160 0.000 1.028 157 L CA 0.152 54.908 54.840 -0.139 0.000 0.871 157 L CB 0.656 42.665 42.059 -0.084 0.000 1.242 157 L HN 0.689 nan 8.230 nan 0.000 0.434 158 D N 4.403 124.725 120.400 -0.130 0.000 2.483 158 D HA 0.450 5.091 4.640 0.001 0.000 0.220 158 D C 1.063 177.341 176.300 -0.038 0.000 1.173 158 D CA 1.120 55.062 54.000 -0.097 0.000 0.964 158 D CB 0.235 41.005 40.800 -0.050 0.000 1.046 158 D HN 0.824 nan 8.370 nan 0.000 0.517 159 G N 4.786 113.542 108.800 -0.074 0.000 2.950 159 G HA2 -0.355 3.605 3.960 0.001 0.000 0.299 159 G HA3 -0.355 3.605 3.960 0.001 0.000 0.299 159 G C 0.814 175.631 174.900 -0.138 0.000 1.310 159 G CA 0.662 45.713 45.100 -0.081 0.000 0.994 159 G HN 0.587 nan 8.290 nan 0.000 0.575 160 K N 0.850 121.091 120.400 -0.265 0.000 2.402 160 K HA 0.312 4.633 4.320 0.001 0.000 0.204 160 K C 0.065 176.413 176.600 -0.421 0.000 1.056 160 K CA -0.201 55.897 56.287 -0.315 0.000 1.069 160 K CB 0.364 32.671 32.500 -0.322 0.000 0.888 160 K HN 0.588 nan 8.250 nan 0.000 0.546 161 H N 1.630 120.631 119.070 -0.115 0.000 2.489 161 H HA 0.257 4.814 4.556 0.001 0.000 0.322 161 H C -0.256 174.970 175.328 -0.171 0.000 1.091 161 H CA -0.687 55.273 56.048 -0.146 0.000 1.291 161 H CB 1.353 31.046 29.762 -0.116 0.000 1.436 161 H HN 0.042 nan 8.280 nan 0.000 0.480 162 I N 5.295 125.803 120.570 -0.103 0.000 2.315 162 I HA 0.179 4.349 4.170 0.001 0.000 0.291 162 I C 0.450 176.452 176.117 -0.192 0.000 1.006 162 I CA -0.303 60.886 61.300 -0.185 0.000 1.265 162 I CB 0.409 38.193 38.000 -0.360 0.000 1.387 162 I HN 0.397 nan 8.210 nan 0.000 0.475 163 I N 6.169 126.605 120.570 -0.222 0.000 2.509 163 I HA 0.297 4.468 4.170 0.001 0.000 0.293 163 I C 0.091 176.018 176.117 -0.317 0.000 1.020 163 I CA -0.460 60.643 61.300 -0.328 0.000 1.088 163 I CB 1.883 39.544 38.000 -0.565 0.000 1.267 163 I HN 0.423 nan 8.210 nan 0.000 0.430 164 E N 5.094 125.132 120.200 -0.270 0.000 2.114 164 E HA 0.659 5.010 4.350 0.001 0.000 0.266 164 E C -0.912 175.576 176.600 -0.186 0.000 0.896 164 E CA -0.676 55.632 56.400 -0.153 0.000 0.750 164 E CB 1.831 31.515 29.700 -0.025 0.000 1.121 164 E HN 0.651 nan 8.360 nan 0.000 0.413 165 A N 2.844 125.564 122.820 -0.166 0.000 2.337 165 A HA 0.599 4.920 4.320 0.001 0.000 0.329 165 A C -0.552 177.048 177.584 0.028 0.000 1.146 165 A CA -0.620 51.376 52.037 -0.069 0.000 0.800 165 A CB 1.213 20.165 19.000 -0.080 0.000 1.220 165 A HN 0.397 nan 8.150 nan 0.000 0.472 166 V N 3.176 123.129 119.914 0.066 0.000 2.407 166 V HA 0.492 4.613 4.120 0.001 0.000 0.291 166 V C -0.142 175.996 176.094 0.074 0.000 1.018 166 V CA -0.505 61.832 62.300 0.061 0.000 0.842 166 V CB 1.294 33.149 31.823 0.053 0.000 0.996 166 V HN 0.969 nan 8.190 nan 0.000 0.426 167 V N 0.997 120.947 119.914 0.060 0.000 2.483 167 V HA 0.650 4.771 4.120 0.001 0.000 0.295 167 V C -0.282 175.833 176.094 0.035 0.000 1.035 167 V CA -0.570 61.764 62.300 0.056 0.000 0.896 167 V CB 1.924 33.779 31.823 0.053 0.000 0.986 167 V HN 0.763 nan 8.190 nan 0.000 0.447 168 D N 3.942 124.362 120.400 0.033 0.000 2.468 168 D HA 0.303 4.943 4.640 0.001 0.000 0.218 168 D C 1.033 177.341 176.300 0.013 0.000 1.155 168 D CA -0.108 53.905 54.000 0.021 0.000 0.924 168 D CB 0.864 41.677 40.800 0.022 0.000 1.029 168 D HN 0.650 nan 8.370 nan 0.000 0.515 169 L N 2.443 123.669 121.223 0.005 0.000 2.079 169 L HA -0.209 4.131 4.340 0.001 0.000 0.210 169 L C 2.462 179.330 176.870 -0.002 0.000 1.081 169 L CA 1.080 55.919 54.840 -0.002 0.000 0.752 169 L CB -0.328 41.725 42.059 -0.009 0.000 0.896 169 L HN 0.492 nan 8.230 nan 0.000 0.433 170 Q N 0.282 120.081 119.800 -0.002 0.000 2.096 170 Q HA -0.199 4.141 4.340 0.001 0.000 0.204 170 Q C 1.409 177.410 176.000 0.002 0.000 0.982 170 Q CA 1.628 57.430 55.803 -0.001 0.000 0.850 170 Q CB 0.156 28.894 28.738 -0.001 0.000 0.901 170 Q HN 0.541 nan 8.270 nan 0.000 0.422 171 N N 0.045 118.748 118.700 0.005 0.000 2.205 171 N HA 0.005 4.746 4.740 0.001 0.000 0.201 171 N C -0.469 175.046 175.510 0.008 0.000 1.128 171 N CA 0.238 53.292 53.050 0.007 0.000 0.867 171 N CB 0.440 38.933 38.487 0.010 0.000 0.996 171 N HN 0.244 nan 8.380 nan 0.000 0.503 172 N N 0.804 119.509 118.700 0.007 0.000 2.740 172 N HA -0.156 4.584 4.740 0.001 0.000 0.248 172 N C -1.238 174.281 175.510 0.016 0.000 1.062 172 N CA 0.780 53.834 53.050 0.008 0.000 0.704 172 N CB -0.400 38.088 38.487 0.002 0.000 0.968 172 N HN 0.083 nan 8.380 nan 0.000 0.547 173 K N 0.404 120.818 120.400 0.023 0.000 2.259 173 K HA 0.428 4.748 4.320 0.001 0.000 0.252 173 K C -0.577 176.054 176.600 0.052 0.000 0.936 173 K CA -0.961 55.346 56.287 0.034 0.000 0.810 173 K CB 1.712 34.230 32.500 0.030 0.000 1.143 173 K HN 0.144 nan 8.250 nan 0.000 0.427 174 L N 4.514 125.778 121.223 0.069 0.000 2.283 174 L HA 0.168 4.508 4.340 0.001 0.000 0.287 174 L C 0.799 177.729 176.870 0.100 0.000 1.073 174 L CA 0.306 55.210 54.840 0.108 0.000 0.822 174 L CB 0.069 42.215 42.059 0.145 0.000 1.186 174 L HN 0.657 nan 8.230 nan 0.000 0.436 175 L N 2.918 124.198 121.223 0.095 0.000 2.209 175 L HA 0.159 4.500 4.340 0.001 0.000 0.207 175 L C 0.415 177.345 176.870 0.100 0.000 1.094 175 L CA 0.642 55.531 54.840 0.081 0.000 0.790 175 L CB -0.338 41.758 42.059 0.061 0.000 0.932 175 L HN 0.832 nan 8.230 nan 0.000 0.447 176 S N -2.530 113.251 115.700 0.135 0.000 2.556 176 S HA 0.258 4.729 4.470 0.001 0.000 0.280 176 S C -1.797 172.942 174.600 0.232 0.000 1.141 176 S CA -0.811 57.485 58.200 0.160 0.000 0.883 176 S CB 1.333 64.596 63.200 0.105 0.000 1.103 176 S HN 0.211 nan 8.310 nan 0.000 0.453 177 W N 3.326 124.653 121.300 0.044 0.000 2.453 177 W HA 0.448 5.109 4.660 0.001 0.000 0.310 177 W C -1.536 175.000 176.519 0.028 0.000 1.000 177 W CA -0.419 56.954 57.345 0.047 0.000 1.367 177 W CB 1.255 30.744 29.460 0.050 0.000 1.269 177 W HN 0.895 nan 8.180 nan 0.000 0.418 178 Q N 6.318 126.114 119.800 -0.006 0.000 2.363 178 Q HA 0.307 4.648 4.340 0.001 0.000 0.265 178 Q C -2.314 173.646 176.000 -0.068 0.000 1.032 178 Q CA -1.851 53.963 55.803 0.018 0.000 0.746 178 Q CB 2.410 31.161 28.738 0.021 0.000 1.237 178 Q HN 0.099 nan 8.270 nan 0.000 0.475 179 P HA 0.054 nan 4.420 nan 0.000 0.271 179 P C -0.777 176.479 177.300 -0.075 0.000 1.216 179 P CA -0.007 63.061 63.100 -0.054 0.000 0.771 179 P CB 0.651 32.353 31.700 0.003 0.000 0.864 180 I N 3.117 123.610 120.570 -0.128 0.000 2.371 180 I HA 0.237 4.408 4.170 0.001 0.000 0.282 180 I C 0.795 176.817 176.117 -0.158 0.000 1.031 180 I CA -0.724 60.483 61.300 -0.156 0.000 1.180 180 I CB 0.233 38.064 38.000 -0.283 0.000 1.336 180 I HN 0.272 nan 8.210 nan 0.000 0.467 181 K N 5.293 125.633 120.400 -0.100 0.000 2.469 181 K HA -0.034 4.287 4.320 0.001 0.000 0.274 181 K C 0.451 176.987 176.600 -0.108 0.000 0.983 181 K CA 0.332 56.568 56.287 -0.085 0.000 0.974 181 K CB 0.569 33.038 32.500 -0.053 0.000 0.913 181 K HN 0.514 nan 8.250 nan 0.000 0.493 182 D N -1.217 119.114 120.400 -0.116 0.000 2.921 182 D HA -0.231 4.410 4.640 0.001 0.000 0.202 182 D C -0.173 175.986 176.300 -0.236 0.000 1.082 182 D CA 1.680 55.590 54.000 -0.150 0.000 1.014 182 D CB -0.937 39.817 40.800 -0.076 0.000 1.120 182 D HN 0.657 nan 8.370 nan 0.000 0.416 183 A N 1.016 123.678 122.820 -0.262 0.000 2.409 183 A HA 0.326 4.647 4.320 0.001 0.000 0.262 183 A C 0.277 177.642 177.584 -0.365 0.000 1.113 183 A CA 0.093 51.937 52.037 -0.320 0.000 0.790 183 A CB 0.454 19.102 19.000 -0.586 0.000 1.046 183 A HN 0.181 nan 8.150 nan 0.000 0.496 184 H N 0.912 119.905 119.070 -0.129 0.000 2.472 184 H HA 0.459 5.016 4.556 0.001 0.000 0.335 184 H C 0.815 176.109 175.328 -0.057 0.000 1.136 184 H CA 0.572 56.560 56.048 -0.100 0.000 1.264 184 H CB 1.750 31.470 29.762 -0.069 0.000 1.486 184 H HN 0.844 nan 8.280 nan 0.000 0.517 185 G N 1.695 110.535 108.800 0.067 0.000 2.451 185 G HA2 0.392 4.353 3.960 0.001 0.000 0.303 185 G HA3 0.392 4.353 3.960 0.001 0.000 0.303 185 G C 0.549 175.465 174.900 0.028 0.000 1.166 185 G CA -0.749 44.384 45.100 0.054 0.000 0.884 185 G HN 0.650 nan 8.290 nan 0.000 0.514 186 M N 0.431 120.041 119.600 0.015 0.000 2.167 186 M HA 0.392 4.873 4.480 0.001 0.000 0.300 186 M C -0.220 176.020 176.300 -0.101 0.000 1.171 186 M CA -0.356 54.905 55.300 -0.064 0.000 1.171 186 M CB 0.456 33.023 32.600 -0.055 0.000 1.396 186 M HN 0.107 nan 8.290 nan 0.000 0.466 187 V N 2.977 122.769 119.914 -0.204 0.000 2.521 187 V HA 0.187 4.308 4.120 0.001 0.000 0.286 187 V C 0.398 176.495 176.094 0.006 0.000 1.034 187 V CA -0.097 62.106 62.300 -0.163 0.000 1.045 187 V CB -0.040 31.562 31.823 -0.368 0.000 0.974 187 V HN 0.650 nan 8.190 nan 0.000 0.480 188 L N 4.355 125.584 121.223 0.009 0.000 2.334 188 L HA 0.403 4.744 4.340 0.001 0.000 0.270 188 L C 1.327 178.151 176.870 -0.077 0.000 1.018 188 L CA -0.743 54.058 54.840 -0.065 0.000 0.811 188 L CB 1.327 43.270 42.059 -0.193 0.000 1.271 188 L HN 0.507 nan 8.230 nan 0.000 0.443 189 L N 1.515 122.541 121.223 -0.329 0.000 2.021 189 L HA -0.248 4.092 4.340 0.001 0.000 0.215 189 L C 2.067 178.802 176.870 -0.225 0.000 1.074 189 L CA 2.577 57.204 54.840 -0.355 0.000 0.760 189 L CB -0.442 41.456 42.059 -0.268 0.000 0.889 189 L HN 0.959 nan 8.230 nan 0.000 0.433 190 D N -1.176 118.946 120.400 -0.463 0.000 2.263 190 D HA -0.231 4.409 4.640 0.001 0.000 0.208 190 D C 1.524 177.812 176.300 -0.021 0.000 0.971 190 D CA 1.067 54.967 54.000 -0.166 0.000 0.867 190 D CB -0.629 40.086 40.800 -0.143 0.000 0.929 190 D HN 0.345 nan 8.370 nan 0.000 0.492 191 D N 0.051 120.456 120.400 0.007 0.000 2.182 191 D HA -0.139 4.502 4.640 0.001 0.000 0.201 191 D C 1.892 178.230 176.300 0.064 0.000 0.986 191 D CA 0.665 54.680 54.000 0.025 0.000 0.847 191 D CB -0.583 40.213 40.800 -0.007 0.000 0.942 191 D HN 0.353 nan 8.370 nan 0.000 0.467 192 F N 1.319 121.227 119.950 -0.070 0.000 2.113 192 F HA -0.132 4.395 4.527 0.001 0.000 0.297 192 F C 2.592 178.360 175.800 -0.054 0.000 1.103 192 F CA 0.868 58.845 58.000 -0.039 0.000 1.248 192 F CB -0.245 38.752 39.000 -0.004 0.000 0.999 192 F HN -0.070 nan 8.300 nan 0.000 0.475 193 A N -0.366 122.550 122.820 0.159 0.000 1.902 193 A HA -0.162 4.158 4.320 0.001 0.000 0.217 193 A C 2.296 179.885 177.584 0.008 0.000 1.181 193 A CA 1.972 54.047 52.037 0.063 0.000 0.623 193 A CB -1.026 18.006 19.000 0.052 0.000 0.818 193 A HN 0.313 nan 8.150 nan 0.000 0.443 194 S N -0.262 115.436 115.700 -0.003 0.000 2.353 194 S HA -0.165 4.305 4.470 0.001 0.000 0.222 194 S C 1.904 176.458 174.600 -0.077 0.000 1.035 194 S CA 1.514 59.691 58.200 -0.039 0.000 1.025 194 S CB -0.679 62.494 63.200 -0.045 0.000 0.902 194 S HN 0.336 nan 8.310 nan 0.000 0.440 195 V N 1.812 121.668 119.914 -0.098 0.000 2.324 195 V HA -0.260 3.860 4.120 0.001 0.000 0.250 195 V C 2.647 178.637 176.094 -0.173 0.000 1.060 195 V CA 2.243 64.452 62.300 -0.151 0.000 1.042 195 V CB -0.745 30.968 31.823 -0.184 0.000 0.650 195 V HN 0.409 nan 8.190 nan 0.000 0.450 196 Q N 0.470 120.191 119.800 -0.131 0.000 2.079 196 Q HA -0.161 4.179 4.340 0.001 0.000 0.200 196 Q C 1.922 177.841 176.000 -0.135 0.000 0.974 196 Q CA 2.292 58.010 55.803 -0.142 0.000 0.840 196 Q CB -0.475 28.209 28.738 -0.091 0.000 0.898 196 Q HN 0.775 nan 8.270 nan 0.000 0.430 197 N N -0.580 118.063 118.700 -0.095 0.000 2.084 197 N HA -0.123 4.617 4.740 0.001 0.000 0.190 197 N C 1.746 177.196 175.510 -0.100 0.000 1.030 197 N CA 1.393 54.395 53.050 -0.079 0.000 0.849 197 N CB -0.160 38.297 38.487 -0.050 0.000 1.012 197 N HN 0.248 nan 8.380 nan 0.000 0.423 198 I N 0.685 121.184 120.570 -0.118 0.000 2.163 198 I HA -0.256 3.915 4.170 0.001 0.000 0.243 198 I C 1.808 177.813 176.117 -0.187 0.000 1.085 198 I CA 1.028 62.250 61.300 -0.130 0.000 1.347 198 I CB -0.218 37.704 38.000 -0.131 0.000 1.044 198 I HN 0.104 nan 8.210 nan 0.000 0.408 199 I N 1.042 121.433 120.570 -0.297 0.000 2.286 199 I HA -0.279 3.892 4.170 0.001 0.000 0.248 199 I C 2.062 178.005 176.117 -0.290 0.000 1.115 199 I CA 1.703 62.702 61.300 -0.503 0.000 1.392 199 I CB -0.841 36.673 38.000 -0.809 0.000 1.065 199 I HN 0.231 nan 8.210 nan 0.000 0.418 200 N N 0.079 118.669 118.700 -0.183 0.000 2.166 200 N HA -0.161 4.579 4.740 0.001 0.000 0.186 200 N C 1.342 176.822 175.510 -0.051 0.000 1.019 200 N CA 1.243 54.238 53.050 -0.092 0.000 0.856 200 N CB -0.239 38.203 38.487 -0.075 0.000 0.993 200 N HN 0.479 nan 8.380 nan 0.000 0.426 201 N N -0.167 118.498 118.700 -0.059 0.000 2.422 201 N HA 0.005 4.745 4.740 0.001 0.000 0.181 201 N C -0.125 175.375 175.510 -0.017 0.000 1.080 201 N CA -0.166 52.865 53.050 -0.033 0.000 0.893 201 N CB 0.356 38.821 38.487 -0.036 0.000 0.973 201 N HN -0.047 nan 8.380 nan 0.000 0.456 202 S N 0.960 116.648 115.700 -0.020 0.000 2.443 202 S HA 0.026 4.497 4.470 0.001 0.000 0.284 202 S C 0.848 175.488 174.600 0.067 0.000 1.206 202 S CA -0.576 57.639 58.200 0.025 0.000 1.074 202 S CB 0.520 63.746 63.200 0.043 0.000 0.963 202 S HN 0.128 nan 8.310 nan 0.000 0.501 203 E N 4.501 124.728 120.200 0.044 0.000 2.051 203 E HA -0.165 4.185 4.350 0.001 0.000 0.192 203 E C 1.708 178.338 176.600 0.050 0.000 0.991 203 E CA 1.823 58.247 56.400 0.039 0.000 0.799 203 E CB -0.264 29.448 29.700 0.020 0.000 0.748 203 E HN 0.855 nan 8.360 nan 0.000 0.449 204 E N 0.052 120.284 120.200 0.053 0.000 2.072 204 E HA -0.149 4.202 4.350 0.001 0.000 0.191 204 E C 1.896 178.525 176.600 0.048 0.000 0.985 204 E CA 0.898 57.321 56.400 0.038 0.000 0.801 204 E CB -0.330 29.388 29.700 0.030 0.000 0.750 204 E HN 0.197 nan 8.360 nan 0.000 0.452 205 F N 1.875 121.805 119.950 -0.034 0.000 2.134 205 F HA -0.167 4.361 4.527 0.001 0.000 0.299 205 F C 2.316 178.095 175.800 -0.034 0.000 1.097 205 F CA 1.367 59.343 58.000 -0.039 0.000 1.264 205 F CB -0.307 38.665 39.000 -0.048 0.000 1.001 205 F HN -0.040 nan 8.300 nan 0.000 0.479 206 A N 0.195 123.150 122.820 0.226 0.000 1.940 206 A HA -0.099 4.222 4.320 0.001 0.000 0.219 206 A C 2.388 179.978 177.584 0.009 0.000 1.176 206 A CA 1.811 53.924 52.037 0.127 0.000 0.631 206 A CB -1.505 17.552 19.000 0.096 0.000 0.814 206 A HN 0.488 nan 8.150 nan 0.000 0.446 207 A N -0.249 122.564 122.820 -0.012 0.000 1.898 207 A HA 0.225 4.546 4.320 0.001 0.000 0.216 207 A C 2.491 180.020 177.584 -0.092 0.000 1.181 207 A CA 1.847 53.860 52.037 -0.040 0.000 0.620 207 A CB -0.957 18.026 19.000 -0.028 0.000 0.819 207 A HN 1.039 nan 8.150 nan 0.000 0.442 208 A N 0.027 122.749 122.820 -0.164 0.000 1.933 208 A HA -0.030 4.291 4.320 0.001 0.000 0.218 208 A C 2.327 179.760 177.584 -0.251 0.000 1.175 208 A CA 2.239 54.131 52.037 -0.242 0.000 0.628 208 A CB -1.167 17.595 19.000 -0.395 0.000 0.814 208 A HN 1.186 nan 8.150 nan 0.000 0.444 209 V N -2.633 117.117 119.914 -0.273 0.000 2.591 209 V HA -0.077 4.044 4.120 0.001 0.000 0.249 209 V C 2.034 178.080 176.094 -0.081 0.000 1.053 209 V CA 2.298 64.492 62.300 -0.176 0.000 1.068 209 V CB -0.726 31.033 31.823 -0.107 0.000 0.689 209 V HN 0.293 nan 8.190 nan 0.000 0.462 210 K N 2.043 122.407 120.400 -0.061 0.000 2.097 210 K HA -0.066 4.255 4.320 0.001 0.000 0.206 210 K C 2.072 178.651 176.600 -0.035 0.000 1.049 210 K CA 1.994 58.261 56.287 -0.033 0.000 0.933 210 K CB -0.457 32.030 32.500 -0.022 0.000 0.717 210 K HN 0.810 nan 8.250 nan 0.000 0.442 211 K N -0.225 120.145 120.400 -0.050 0.000 2.432 211 K HA 0.007 4.328 4.320 0.001 0.000 0.196 211 K C 1.121 177.698 176.600 -0.038 0.000 1.038 211 K CA 0.825 57.087 56.287 -0.041 0.000 0.986 211 K CB 0.121 32.593 32.500 -0.047 0.000 0.782 211 K HN -0.047 nan 8.250 nan 0.000 0.485 212 R N 0.287 120.759 120.500 -0.046 0.000 2.466 212 R HA 0.126 4.466 4.340 0.001 0.000 0.279 212 R C 0.416 176.709 176.300 -0.012 0.000 0.976 212 R CA 0.360 56.440 56.100 -0.033 0.000 1.081 212 R CB 0.698 30.966 30.300 -0.053 0.000 1.215 212 R HN 0.531 nan 8.270 nan 0.000 0.546 213 G N 1.041 109.836 108.800 -0.009 0.000 2.213 213 G HA2 -0.248 3.712 3.960 0.001 0.000 0.236 213 G HA3 -0.248 3.712 3.960 0.001 0.000 0.236 213 G C 0.027 174.931 174.900 0.008 0.000 0.991 213 G CA -0.453 44.650 45.100 0.004 0.000 0.629 213 G HN 0.153 nan 8.290 nan 0.000 0.517 214 I N 3.013 123.585 120.570 0.003 0.000 2.406 214 I HA 0.304 4.475 4.170 0.001 0.000 0.293 214 I C 1.971 178.093 176.117 0.007 0.000 1.101 214 I CA 0.856 62.162 61.300 0.010 0.000 1.334 214 I CB 1.015 39.023 38.000 0.014 0.000 1.421 214 I HN 0.317 nan 8.210 nan 0.000 0.513 215 T N 0.754 115.314 114.554 0.009 0.000 2.770 215 T HA -0.083 4.267 4.350 0.001 0.000 0.263 215 T C 0.828 175.534 174.700 0.009 0.000 1.039 215 T CA 0.659 62.763 62.100 0.007 0.000 1.142 215 T CB -0.049 68.823 68.868 0.007 0.000 0.868 215 T HN 0.457 nan 8.240 nan 0.000 0.435 216 D N 1.101 121.507 120.400 0.011 0.000 2.443 216 D HA 0.590 5.231 4.640 0.001 0.000 0.221 216 D C 1.025 177.336 176.300 0.019 0.000 1.097 216 D CA -0.194 53.813 54.000 0.012 0.000 0.865 216 D CB 1.307 42.111 40.800 0.007 0.000 1.034 216 D HN 0.264 nan 8.370 nan 0.000 0.511 217 A N 4.263 127.098 122.820 0.025 0.000 2.070 217 A HA -0.166 4.154 4.320 0.001 0.000 0.220 217 A C 1.851 179.451 177.584 0.027 0.000 1.159 217 A CA 1.166 53.228 52.037 0.042 0.000 0.656 217 A CB -0.039 18.993 19.000 0.054 0.000 0.800 217 A HN 0.428 nan 8.150 nan 0.000 0.453 218 K N 0.073 120.480 120.400 0.011 0.000 2.362 218 K HA -0.002 4.318 4.320 0.001 0.000 0.200 218 K C 1.281 177.876 176.600 -0.009 0.000 1.046 218 K CA 0.796 57.082 56.287 -0.003 0.000 0.952 218 K CB 0.109 32.606 32.500 -0.004 0.000 0.753 218 K HN 0.181 nan 8.250 nan 0.000 0.466 219 K N 0.237 120.637 120.400 -0.000 0.000 2.487 219 K HA 0.112 4.433 4.320 0.001 0.000 0.192 219 K C -0.211 176.387 176.600 -0.003 0.000 1.027 219 K CA 0.103 56.388 56.287 -0.003 0.000 1.054 219 K CB -0.031 32.471 32.500 0.003 0.000 0.824 219 K HN -0.100 nan 8.250 nan 0.000 0.510 220 V N 2.727 122.642 119.914 0.002 0.000 2.455 220 V HA 0.207 4.328 4.120 0.001 0.000 0.273 220 V C 0.490 176.544 176.094 -0.067 0.000 1.045 220 V CA -0.381 61.923 62.300 0.006 0.000 0.976 220 V CB 0.724 32.590 31.823 0.072 0.000 0.993 220 V HN 0.037 nan 8.190 nan 0.000 0.475 221 I N 5.088 125.590 120.570 -0.113 0.000 2.354 221 I HA 0.395 4.565 4.170 0.001 0.000 0.292 221 I C 0.622 176.606 176.117 -0.221 0.000 0.989 221 I CA -0.215 60.925 61.300 -0.267 0.000 1.188 221 I CB 2.023 39.659 38.000 -0.608 0.000 1.342 221 I HN 0.728 nan 8.210 nan 0.000 0.457 222 T N 1.549 115.973 114.554 -0.217 0.000 2.944 222 T HA 0.693 5.043 4.350 0.001 0.000 0.284 222 T C -0.092 174.522 174.700 -0.143 0.000 1.010 222 T CA -0.623 61.373 62.100 -0.174 0.000 1.025 222 T CB 1.800 70.545 68.868 -0.206 0.000 1.079 222 T HN 0.643 nan 8.240 nan 0.000 0.516 223 T N -0.458 114.039 114.554 -0.095 0.000 2.881 223 T HA 0.633 4.983 4.350 0.001 0.000 0.290 223 T C -3.234 171.386 174.700 -0.134 0.000 1.000 223 T CA -1.886 60.185 62.100 -0.048 0.000 0.978 223 T CB 1.837 70.783 68.868 0.131 0.000 0.997 223 T HN 0.543 nan 8.240 nan 0.000 0.443 224 P HA 0.477 nan 4.420 nan 0.000 0.291 224 P C -0.861 176.331 177.300 -0.181 0.000 1.378 224 P CA -0.587 62.322 63.100 -0.319 0.000 0.853 224 P CB 0.545 31.877 31.700 -0.612 0.000 1.002 225 L N 3.033 124.191 121.223 -0.108 0.000 2.325 225 L HA 0.505 4.845 4.340 0.001 0.000 0.278 225 L C 1.119 177.962 176.870 -0.046 0.000 1.023 225 L CA -0.837 53.981 54.840 -0.037 0.000 0.811 225 L CB 1.602 43.725 42.059 0.105 0.000 1.249 225 L HN 0.261 nan 8.230 nan 0.000 0.431 226 T N -1.467 113.074 114.554 -0.021 0.000 2.930 226 T HA 0.158 4.508 4.350 0.001 0.000 0.306 226 T C 1.106 175.847 174.700 0.069 0.000 1.045 226 T CA -0.544 61.534 62.100 -0.037 0.000 1.134 226 T CB 1.452 70.298 68.868 -0.036 0.000 0.961 226 T HN 0.509 nan 8.240 nan 0.000 0.545 227 V N -0.084 119.814 119.914 -0.026 0.000 3.354 227 V HA 0.497 4.618 4.120 0.001 0.000 0.258 227 V C 1.443 177.635 176.094 0.163 0.000 1.159 227 V CA 0.725 63.021 62.300 -0.005 0.000 1.125 227 V CB -1.741 29.994 31.823 -0.145 0.000 0.774 227 V HN 1.642 nan 8.190 nan 0.000 0.464 228 G N 0.163 109.018 108.800 0.092 0.000 2.525 228 G HA2 -0.275 3.686 3.960 0.001 0.000 0.248 228 G HA3 -0.275 3.686 3.960 0.001 0.000 0.248 228 G C -0.607 174.307 174.900 0.022 0.000 1.238 228 G CA 0.369 45.501 45.100 0.052 0.000 0.926 228 G HN 1.445 nan 8.290 nan 0.000 0.574 229 Y N -0.921 119.162 120.300 -0.362 0.000 2.399 229 Y HA 0.618 5.168 4.550 0.001 0.000 0.327 229 Y C -0.591 174.782 175.900 -0.879 0.000 1.111 229 Y CA -0.985 56.858 58.100 -0.429 0.000 1.047 229 Y CB 1.237 39.514 38.460 -0.304 0.000 1.259 229 Y HN 0.510 nan 8.280 nan 0.000 0.434 230 F N 3.927 123.273 119.950 -1.005 0.000 2.814 230 F HA 0.229 4.756 4.527 0.001 0.000 0.326 230 F C 0.419 175.406 175.800 -1.356 0.000 1.159 230 F CA -0.598 56.794 58.000 -1.012 0.000 1.234 230 F CB 0.412 39.176 39.000 -0.392 0.000 1.016 230 F HN 0.617 nan 8.300 nan 0.000 0.510 231 D N 1.025 120.157 120.400 -2.113 0.000 2.723 231 D HA -0.199 4.441 4.640 0.001 0.000 0.236 231 D C 1.462 177.420 176.300 -0.570 0.000 1.138 231 D CA 1.399 54.642 54.000 -1.261 0.000 0.676 231 D CB -0.930 39.432 40.800 -0.730 0.000 1.069 231 D HN 0.732 nan 8.370 nan 0.000 0.430 232 G N -0.375 108.109 108.800 -0.527 0.000 2.304 232 G HA2 -0.461 3.499 3.960 0.001 0.000 0.252 232 G HA3 -0.461 3.499 3.960 0.001 0.000 0.252 232 G C 1.254 176.054 174.900 -0.168 0.000 1.014 232 G CA 0.800 45.760 45.100 -0.234 0.000 0.619 232 G HN 0.537 nan 8.290 nan 0.000 0.525 233 K N 0.765 121.057 120.400 -0.180 0.000 2.218 233 K HA -0.151 4.169 4.320 0.001 0.000 0.205 233 K C 1.957 178.463 176.600 -0.156 0.000 1.046 233 K CA 1.726 57.934 56.287 -0.131 0.000 0.933 233 K CB -0.219 32.221 32.500 -0.099 0.000 0.728 233 K HN 0.727 nan 8.250 nan 0.000 0.454 234 D N -0.850 119.478 120.400 -0.121 0.000 2.349 234 D HA -0.010 4.630 4.640 0.001 0.000 0.224 234 D C 1.041 177.306 176.300 -0.058 0.000 1.029 234 D CA 0.802 54.745 54.000 -0.094 0.000 0.879 234 D CB -0.131 40.695 40.800 0.044 0.000 0.906 234 D HN 0.234 nan 8.370 nan 0.000 0.528 235 G N 0.179 108.936 108.800 -0.071 0.000 2.147 235 G HA2 -0.238 3.723 3.960 0.001 0.000 0.244 235 G HA3 -0.238 3.723 3.960 0.001 0.000 0.244 235 G C -0.204 174.667 174.900 -0.048 0.000 1.005 235 G CA 0.244 45.309 45.100 -0.058 0.000 0.713 235 G HN 0.411 nan 8.290 nan 0.000 0.515 236 L N 0.487 121.682 121.223 -0.047 0.000 2.325 236 L HA 0.425 4.765 4.340 0.001 0.000 0.281 236 L C 0.772 177.629 176.870 -0.022 0.000 1.004 236 L CA -1.242 53.575 54.840 -0.038 0.000 0.823 236 L CB 1.623 43.657 42.059 -0.041 0.000 1.236 236 L HN 0.321 nan 8.230 nan 0.000 0.415 237 K N 1.570 121.963 120.400 -0.011 0.000 2.447 237 K HA -0.010 4.311 4.320 0.001 0.000 0.281 237 K C 0.611 177.240 176.600 0.049 0.000 1.031 237 K CA -0.322 55.972 56.287 0.013 0.000 1.019 237 K CB 0.931 33.436 32.500 0.008 0.000 0.918 237 K HN 0.418 nan 8.250 nan 0.000 0.476 238 Q N 2.446 122.301 119.800 0.092 0.000 2.234 238 Q HA -0.214 4.126 4.340 0.001 0.000 0.206 238 Q C 0.613 176.718 176.000 0.175 0.000 0.980 238 Q CA 1.962 57.860 55.803 0.158 0.000 0.869 238 Q CB -0.155 28.689 28.738 0.177 0.000 0.912 238 Q HN 0.884 nan 8.270 nan 0.000 0.436 239 D N -0.254 120.204 120.400 0.096 0.000 2.084 239 D HA 0.006 4.647 4.640 0.001 0.000 0.194 239 D C 0.042 176.397 176.300 0.092 0.000 0.990 239 D CA 1.224 55.262 54.000 0.063 0.000 0.826 239 D CB -0.328 40.489 40.800 0.027 0.000 0.971 239 D HN 0.420 nan 8.370 nan 0.000 0.453 240 A N 0.272 123.133 122.820 0.068 0.000 2.483 240 A HA 0.085 4.405 4.320 0.001 0.000 0.238 240 A C 0.444 178.077 177.584 0.080 0.000 1.070 240 A CA -0.014 52.047 52.037 0.041 0.000 0.770 240 A CB 0.202 19.198 19.000 -0.006 0.000 1.008 240 A HN 0.214 nan 8.150 nan 0.000 0.497 241 R N 2.218 122.732 120.500 0.023 0.000 2.296 241 R HA 0.470 4.811 4.340 0.001 0.000 0.327 241 R C -1.167 175.076 176.300 -0.094 0.000 1.137 241 R CA -0.076 56.015 56.100 -0.015 0.000 1.020 241 R CB -0.338 29.948 30.300 -0.023 0.000 1.110 241 R HN 0.686 nan 8.270 nan 0.000 0.499 242 L N 4.631 125.763 121.223 -0.151 0.000 2.313 242 L HA 0.671 5.011 4.340 0.001 0.000 0.268 242 L C -0.548 176.211 176.870 -0.185 0.000 1.010 242 L CA -1.223 53.523 54.840 -0.156 0.000 0.814 242 L CB 1.841 43.813 42.059 -0.147 0.000 1.304 242 L HN 0.440 nan 8.230 nan 0.000 0.441 243 L N 1.036 122.147 121.223 -0.186 0.000 2.526 243 L HA 0.413 4.753 4.340 0.001 0.000 0.263 243 L C -0.865 175.869 176.870 -0.227 0.000 0.943 243 L CA -0.659 54.059 54.840 -0.204 0.000 0.859 243 L CB 2.485 44.422 42.059 -0.204 0.000 1.313 243 L HN 0.533 nan 8.230 nan 0.000 0.406 244 K N 1.618 121.848 120.400 -0.283 0.000 2.118 244 K HA 0.656 4.977 4.320 0.001 0.000 0.264 244 K C -0.981 175.488 176.600 -0.218 0.000 1.000 244 K CA -0.623 55.457 56.287 -0.345 0.000 0.929 244 K CB 2.143 34.198 32.500 -0.743 0.000 1.021 244 K HN 0.226 nan 8.250 nan 0.000 0.463 245 V N 4.344 124.154 119.914 -0.173 0.000 2.444 245 V HA 0.309 4.430 4.120 0.001 0.000 0.294 245 V C -0.402 175.646 176.094 -0.077 0.000 1.022 245 V CA -0.916 61.308 62.300 -0.126 0.000 0.850 245 V CB 1.325 33.053 31.823 -0.158 0.000 0.992 245 V HN 0.587 nan 8.190 nan 0.000 0.426 246 I N 3.540 124.056 120.570 -0.090 0.000 2.377 246 I HA 0.537 4.708 4.170 0.001 0.000 0.293 246 I C 0.425 176.381 176.117 -0.268 0.000 0.987 246 I CA 0.218 61.418 61.300 -0.166 0.000 1.185 246 I CB 1.864 39.747 38.000 -0.196 0.000 1.341 246 I HN 0.591 nan 8.210 nan 0.000 0.455 247 S N 5.715 121.225 115.700 -0.317 0.000 2.621 247 S HA 0.773 5.243 4.470 0.001 0.000 0.302 247 S C -1.109 173.161 174.600 -0.550 0.000 1.093 247 S CA -0.503 57.518 58.200 -0.299 0.000 1.017 247 S CB 1.866 65.068 63.200 0.004 0.000 1.077 247 S HN 0.352 nan 8.310 nan 0.000 0.517 248 Y N 0.291 120.588 120.300 -0.004 0.000 2.545 248 Y HA 0.596 5.147 4.550 0.001 0.000 0.348 248 Y C -0.641 175.294 175.900 0.058 0.000 1.002 248 Y CA -1.079 57.067 58.100 0.076 0.000 1.039 248 Y CB 1.086 39.633 38.460 0.145 0.000 1.271 248 Y HN 0.469 nan 8.280 nan 0.000 0.467 249 L N 2.855 124.257 121.223 0.298 0.000 2.275 249 L HA 0.401 4.742 4.340 0.001 0.000 0.288 249 L C -0.480 176.480 176.870 0.149 0.000 1.046 249 L CA -0.373 54.569 54.840 0.169 0.000 0.805 249 L CB 0.643 42.780 42.059 0.130 0.000 1.193 249 L HN 0.592 nan 8.230 nan 0.000 0.426 250 D N 3.645 124.087 120.400 0.072 0.000 2.374 250 D HA 0.075 4.716 4.640 0.001 0.000 0.240 250 D C 0.811 177.095 176.300 -0.026 0.000 1.229 250 D CA -0.010 54.023 54.000 0.055 0.000 0.895 250 D CB 0.984 41.801 40.800 0.029 0.000 1.046 250 D HN 0.414 nan 8.370 nan 0.000 0.498 251 V N 1.728 121.568 119.914 -0.123 0.000 3.596 251 V HA 0.406 4.526 4.120 0.001 0.000 0.289 251 V C 1.365 177.412 176.094 -0.077 0.000 1.336 251 V CA 0.481 62.680 62.300 -0.168 0.000 1.137 251 V CB -0.192 31.398 31.823 -0.389 0.000 0.966 251 V HN 0.672 nan 8.190 nan 0.000 0.428 252 G N 1.999 110.784 108.800 -0.025 0.000 2.176 252 G HA2 -0.292 3.668 3.960 0.001 0.000 0.253 252 G HA3 -0.292 3.668 3.960 0.001 0.000 0.253 252 G C 0.309 175.208 174.900 -0.002 0.000 0.979 252 G CA 0.489 45.586 45.100 -0.005 0.000 0.641 252 G HN 0.833 nan 8.290 nan 0.000 0.530 253 D N 0.180 120.590 120.400 0.017 0.000 2.328 253 D HA 0.379 5.020 4.640 0.001 0.000 0.226 253 D C 1.821 178.090 176.300 -0.051 0.000 1.066 253 D CA 0.507 54.512 54.000 0.008 0.000 0.861 253 D CB -0.656 40.192 40.800 0.079 0.000 0.912 253 D HN 1.561 nan 8.370 nan 0.000 0.521 254 G N 0.714 109.500 108.800 -0.023 0.000 2.168 254 G HA2 -0.355 3.606 3.960 0.001 0.000 0.263 254 G HA3 -0.355 3.606 3.960 0.001 0.000 0.263 254 G C 0.231 175.112 174.900 -0.033 0.000 0.977 254 G CA 0.321 45.380 45.100 -0.068 0.000 0.659 254 G HN 0.621 nan 8.290 nan 0.000 0.533 255 N N -0.271 118.481 118.700 0.086 0.000 2.752 255 N HA 0.396 5.137 4.740 0.001 0.000 0.260 255 N C 0.962 176.592 175.510 0.202 0.000 1.562 255 N CA -0.408 52.755 53.050 0.189 0.000 0.788 255 N CB -0.071 38.560 38.487 0.239 0.000 1.192 255 N HN 0.364 nan 8.380 nan 0.000 0.503 256 Y N -0.602 119.786 120.300 0.147 0.000 2.403 256 Y HA 0.048 4.599 4.550 0.001 0.000 0.291 256 Y C 1.003 176.857 175.900 -0.078 0.000 1.143 256 Y CA 0.510 58.674 58.100 0.107 0.000 1.257 256 Y CB -0.672 37.732 38.460 -0.093 0.000 0.984 256 Y HN 0.305 nan 8.280 nan 0.000 0.550 257 W N 1.155 122.163 121.300 -0.486 0.000 2.387 257 W HA 0.004 4.664 4.660 0.001 0.000 0.272 257 W C 2.191 178.699 176.519 -0.017 0.000 1.224 257 W CA 1.296 58.324 57.345 -0.529 0.000 1.210 257 W CB -0.219 28.961 29.460 -0.466 0.000 1.125 257 W HN 0.194 nan 8.180 nan 0.000 0.572 258 A N -0.726 122.202 122.820 0.180 0.000 2.302 258 A HA 0.074 4.395 4.320 0.001 0.000 0.219 258 A C 0.087 177.433 177.584 -0.396 0.000 1.243 258 A CA 0.336 52.439 52.037 0.110 0.000 0.856 258 A CB -0.638 18.333 19.000 -0.049 0.000 0.893 258 A HN 0.330 nan 8.150 nan 0.000 0.491 259 H N 0.323 119.646 119.070 0.422 0.000 2.597 259 H HA 0.208 4.764 4.556 0.001 0.000 0.225 259 H C -3.067 172.514 175.328 0.423 0.000 1.422 259 H CA -1.742 54.520 56.048 0.358 0.000 1.335 259 H CB 0.134 30.064 29.762 0.280 0.000 1.783 259 H HN 0.323 nan 8.280 nan 0.000 0.513 260 P HA 0.135 nan 4.420 nan 0.000 0.271 260 P C 0.373 177.761 177.300 0.147 0.000 1.216 260 P CA -0.147 63.144 63.100 0.318 0.000 0.776 260 P CB 1.636 33.536 31.700 0.333 0.000 0.881 261 I N 1.890 122.462 120.570 0.003 0.000 2.317 261 I HA 0.185 4.355 4.170 0.001 0.000 0.286 261 I C 0.961 177.067 176.117 -0.019 0.000 1.119 261 I CA -0.610 60.691 61.300 0.001 0.000 1.228 261 I CB 0.007 37.991 38.000 -0.028 0.000 1.476 261 I HN 0.283 nan 8.210 nan 0.000 0.514 262 E N 4.238 124.463 120.200 0.042 0.000 2.415 262 E HA 0.006 4.356 4.350 0.001 0.000 0.262 262 E C 0.336 176.966 176.600 0.050 0.000 1.038 262 E CA 0.742 57.188 56.400 0.076 0.000 0.921 262 E CB 0.198 29.977 29.700 0.132 0.000 0.950 262 E HN 0.522 nan 8.360 nan 0.000 0.438 263 N N 0.673 119.416 118.700 0.072 0.000 2.776 263 N HA -0.246 4.495 4.740 0.001 0.000 0.250 263 N C -1.225 174.287 175.510 0.003 0.000 1.112 263 N CA 0.214 53.297 53.050 0.055 0.000 0.733 263 N CB -0.843 37.676 38.487 0.053 0.000 1.097 263 N HN 0.183 nan 8.380 nan 0.000 0.558 264 L N 0.959 122.167 121.223 -0.025 0.000 2.415 264 L HA 0.587 4.927 4.340 0.001 0.000 0.268 264 L C -1.074 175.774 176.870 -0.038 0.000 0.984 264 L CA -0.798 54.001 54.840 -0.069 0.000 0.853 264 L CB 1.799 43.775 42.059 -0.139 0.000 1.215 264 L HN -0.120 nan 8.230 nan 0.000 0.419 265 V N 3.752 123.654 119.914 -0.019 0.000 2.656 265 V HA 0.937 5.058 4.120 0.001 0.000 0.307 265 V C -0.034 176.067 176.094 0.012 0.000 1.051 265 V CA -0.427 61.866 62.300 -0.010 0.000 0.893 265 V CB 1.597 33.398 31.823 -0.036 0.000 0.999 265 V HN 0.891 nan 8.190 nan 0.000 0.426 266 A N 3.799 126.640 122.820 0.036 0.000 2.343 266 A HA 0.852 5.172 4.320 0.001 0.000 0.316 266 A C -0.848 176.689 177.584 -0.078 0.000 1.104 266 A CA -0.582 51.483 52.037 0.046 0.000 0.768 266 A CB 1.657 20.769 19.000 0.187 0.000 1.213 266 A HN 0.683 nan 8.150 nan 0.000 0.456 267 V N 3.077 122.939 119.914 -0.087 0.000 2.383 267 V HA 0.356 4.476 4.120 0.001 0.000 0.275 267 V C -0.184 175.844 176.094 -0.109 0.000 1.036 267 V CA -0.379 61.843 62.300 -0.130 0.000 0.889 267 V CB 1.193 32.941 31.823 -0.126 0.000 0.985 267 V HN 0.601 nan 8.190 nan 0.000 0.459 268 V N 4.129 123.963 119.914 -0.132 0.000 2.370 268 V HA 0.331 4.452 4.120 0.001 0.000 0.283 268 V C -0.008 176.019 176.094 -0.112 0.000 1.023 268 V CA -0.552 61.676 62.300 -0.121 0.000 0.857 268 V CB 1.770 33.508 31.823 -0.142 0.000 0.985 268 V HN 0.858 nan 8.190 nan 0.000 0.443 269 D N 4.544 124.891 120.400 -0.089 0.000 2.411 269 D HA 0.229 4.870 4.640 0.001 0.000 0.225 269 D C 1.055 177.309 176.300 -0.076 0.000 1.156 269 D CA -0.144 53.809 54.000 -0.079 0.000 0.874 269 D CB 1.342 42.106 40.800 -0.060 0.000 1.034 269 D HN 0.467 nan 8.370 nan 0.000 0.502 270 L N 2.744 123.917 121.223 -0.085 0.000 2.261 270 L HA -0.164 4.177 4.340 0.001 0.000 0.216 270 L C 2.020 178.851 176.870 -0.065 0.000 1.114 270 L CA 0.839 55.632 54.840 -0.079 0.000 0.777 270 L CB -0.056 41.950 42.059 -0.088 0.000 0.910 270 L HN 0.353 nan 8.230 nan 0.000 0.440 271 E N 0.203 120.365 120.200 -0.063 0.000 2.076 271 E HA -0.161 4.190 4.350 0.001 0.000 0.190 271 E C 2.101 178.676 176.600 -0.043 0.000 0.979 271 E CA 1.067 57.433 56.400 -0.056 0.000 0.807 271 E CB 0.093 29.756 29.700 -0.063 0.000 0.761 271 E HN 0.429 nan 8.360 nan 0.000 0.454 272 Q N 0.041 119.815 119.800 -0.042 0.000 2.432 272 Q HA 0.060 4.401 4.340 0.001 0.000 0.205 272 Q C -0.132 175.846 176.000 -0.037 0.000 0.945 272 Q CA 0.273 56.055 55.803 -0.035 0.000 0.924 272 Q CB 0.385 29.103 28.738 -0.033 0.000 1.016 272 Q HN -0.001 nan 8.270 nan 0.000 0.503 273 K N 1.089 121.461 120.400 -0.045 0.000 3.125 273 K HA -0.176 4.144 4.320 0.001 0.000 0.268 273 K C -0.713 175.857 176.600 -0.051 0.000 1.078 273 K CA 1.144 57.403 56.287 -0.048 0.000 0.775 273 K CB -1.640 30.838 32.500 -0.036 0.000 1.253 273 K HN 0.540 nan 8.250 nan 0.000 0.486 274 K N -1.563 118.803 120.400 -0.056 0.000 2.579 274 K HA 0.470 4.791 4.320 0.001 0.000 0.284 274 K C -0.345 176.219 176.600 -0.060 0.000 0.990 274 K CA -1.091 55.163 56.287 -0.054 0.000 0.880 274 K CB 1.172 33.649 32.500 -0.038 0.000 1.488 274 K HN -0.026 nan 8.250 nan 0.000 0.425 275 I N 3.174 123.713 120.570 -0.052 0.000 2.406 275 I HA -0.022 4.148 4.170 0.001 0.000 0.293 275 I C 1.284 177.383 176.117 -0.030 0.000 1.101 275 I CA -0.530 60.744 61.300 -0.043 0.000 1.334 275 I CB 1.082 39.077 38.000 -0.008 0.000 1.421 275 I HN 0.581 nan 8.210 nan 0.000 0.513 276 V N 2.873 122.762 119.914 -0.042 0.000 3.623 276 V HA 0.239 4.360 4.120 0.001 0.000 0.271 276 V C 0.523 176.597 176.094 -0.033 0.000 1.248 276 V CA 0.449 62.727 62.300 -0.037 0.000 1.156 276 V CB -0.748 31.049 31.823 -0.044 0.000 0.870 276 V HN 0.833 nan 8.190 nan 0.000 0.453 277 K N 0.298 120.680 120.400 -0.030 0.000 2.622 277 K HA 0.499 4.820 4.320 0.001 0.000 0.263 277 K C -2.008 174.583 176.600 -0.015 0.000 0.947 277 K CA -0.651 55.619 56.287 -0.028 0.000 0.885 277 K CB 1.934 34.407 32.500 -0.044 0.000 1.362 277 K HN 0.221 nan 8.250 nan 0.000 0.413 278 I N 3.799 124.365 120.570 -0.008 0.000 2.466 278 I HA 0.216 4.387 4.170 0.001 0.000 0.279 278 I C -0.581 175.521 176.117 -0.024 0.000 1.033 278 I CA -0.612 60.687 61.300 -0.001 0.000 1.123 278 I CB 1.794 39.797 38.000 0.005 0.000 1.237 278 I HN 0.499 nan 8.210 nan 0.000 0.460 279 E N 6.327 126.513 120.200 -0.024 0.000 2.152 279 E HA 0.277 4.627 4.350 0.001 0.000 0.285 279 E C -0.698 175.889 176.600 -0.022 0.000 1.043 279 E CA -0.253 56.137 56.400 -0.016 0.000 0.839 279 E CB 1.219 30.921 29.700 0.003 0.000 1.069 279 E HN 0.483 nan 8.360 nan 0.000 0.399 280 E N 1.668 121.852 120.200 -0.026 0.000 2.171 280 E HA 0.459 4.810 4.350 0.001 0.000 0.271 280 E C -0.206 176.388 176.600 -0.009 0.000 0.916 280 E CA -0.624 55.755 56.400 -0.034 0.000 0.774 280 E CB 1.994 31.661 29.700 -0.056 0.000 1.128 280 E HN 0.557 nan 8.360 nan 0.000 0.403 281 G N 2.572 111.372 108.800 0.001 0.000 3.075 281 G HA2 0.486 4.447 3.960 0.001 0.000 0.253 281 G HA3 0.486 4.447 3.960 0.001 0.000 0.253 281 G C -2.620 172.287 174.900 0.012 0.000 1.353 281 G CA -1.436 43.676 45.100 0.019 0.000 1.051 281 G HN 0.263 nan 8.290 nan 0.000 0.553 282 P HA 0.175 nan 4.420 nan 0.000 0.265 282 P C -0.176 177.133 177.300 0.016 0.000 1.193 282 P CA -0.250 62.861 63.100 0.018 0.000 0.765 282 P CB 0.879 32.595 31.700 0.026 0.000 0.823 283 V N 5.261 125.179 119.914 0.007 0.000 2.446 283 V HA 0.037 4.157 4.120 0.001 0.000 0.276 283 V C 0.338 176.442 176.094 0.018 0.000 1.030 283 V CA 0.303 62.606 62.300 0.005 0.000 1.033 283 V CB 0.534 32.355 31.823 -0.004 0.000 0.993 283 V HN 0.222 nan 8.190 nan 0.000 0.477 284 V N 7.928 127.858 119.914 0.027 0.000 2.409 284 V HA 0.340 4.461 4.120 0.001 0.000 0.291 284 V C -2.207 173.915 176.094 0.046 0.000 1.020 284 V CA -2.091 60.233 62.300 0.040 0.000 0.848 284 V CB 1.600 33.456 31.823 0.055 0.000 0.990 284 V HN 0.736 nan 8.190 nan 0.000 0.430 285 P HA 0.039 nan 4.420 nan 0.000 0.260 285 P C -0.197 177.151 177.300 0.081 0.000 1.185 285 P CA 0.090 63.222 63.100 0.054 0.000 0.763 285 P CB 0.272 32.001 31.700 0.049 0.000 0.776 286 V N 7.124 127.092 119.914 0.091 0.000 2.557 286 V HA -0.000 4.120 4.120 0.001 0.000 0.301 286 V C -1.778 174.420 176.094 0.174 0.000 1.026 286 V CA -0.923 61.459 62.300 0.137 0.000 1.137 286 V CB -0.327 31.579 31.823 0.139 0.000 0.917 286 V HN 0.556 nan 8.190 nan 0.000 0.484 287 P HA 0.164 nan 4.420 nan 0.000 0.265 287 P C 0.473 178.013 177.300 0.400 0.000 1.222 287 P CA 0.115 63.365 63.100 0.251 0.000 0.767 287 P CB 0.454 32.285 31.700 0.218 0.000 0.801 288 M N 0.238 120.017 119.600 0.298 0.000 2.514 288 M HA 0.058 4.538 4.480 0.001 0.000 0.258 288 M C 0.467 176.919 176.300 0.254 0.000 1.159 288 M CA 0.655 56.099 55.300 0.241 0.000 1.116 288 M CB -0.844 31.827 32.600 0.119 0.000 1.333 288 M HN 0.147 nan 8.290 nan 0.000 0.487 289 T N 2.652 117.374 114.554 0.280 0.000 2.905 289 T HA 0.230 4.580 4.350 0.001 0.000 0.299 289 T C 0.450 175.350 174.700 0.335 0.000 1.024 289 T CA -0.134 62.117 62.100 0.251 0.000 1.151 289 T CB 0.428 69.434 68.868 0.231 0.000 0.987 289 T HN 0.360 nan 8.240 nan 0.000 0.535 290 A N 4.687 127.637 122.820 0.217 0.000 2.522 290 A HA 0.252 4.572 4.320 0.001 0.000 0.256 290 A C 0.850 178.539 177.584 0.176 0.000 1.086 290 A CA -0.059 52.096 52.037 0.196 0.000 0.763 290 A CB 0.110 19.168 19.000 0.096 0.000 1.024 290 A HN 0.712 nan 8.150 nan 0.000 0.502 291 R N 3.331 123.941 120.500 0.182 0.000 2.782 291 R HA 0.231 4.572 4.340 0.001 0.000 0.293 291 R C -2.981 173.306 176.300 -0.022 0.000 1.333 291 R CA -1.439 54.694 56.100 0.055 0.000 1.479 291 R CB 0.950 31.273 30.300 0.038 0.000 1.306 291 R HN 0.591 nan 8.270 nan 0.000 0.654 292 P HA 0.022 nan 4.420 nan 0.000 0.271 292 P C 0.110 177.321 177.300 -0.147 0.000 1.216 292 P CA -0.008 62.998 63.100 -0.156 0.000 0.776 292 P CB 0.370 31.983 31.700 -0.146 0.000 0.881 293 F N 0.606 120.479 119.950 -0.129 0.000 2.682 293 F HA 0.231 4.759 4.527 0.001 0.000 0.308 293 F C 1.108 176.850 175.800 -0.097 0.000 1.093 293 F CA -0.365 57.546 58.000 -0.148 0.000 1.244 293 F CB -0.552 38.327 39.000 -0.202 0.000 1.052 293 F HN 0.108 nan 8.300 nan 0.000 0.573 294 D N 0.219 120.369 120.400 -0.417 0.000 2.340 294 D HA 0.181 4.821 4.640 0.001 0.000 0.220 294 D C 1.879 178.116 176.300 -0.105 0.000 1.039 294 D CA 0.643 54.508 54.000 -0.226 0.000 0.866 294 D CB 0.006 40.603 40.800 -0.338 0.000 0.913 294 D HN 0.466 nan 8.370 nan 0.000 0.523 295 G N 1.780 110.530 108.800 -0.084 0.000 2.199 295 G HA2 -0.443 3.518 3.960 0.001 0.000 0.254 295 G HA3 -0.443 3.518 3.960 0.001 0.000 0.254 295 G C 1.273 176.142 174.900 -0.051 0.000 0.982 295 G CA 0.490 45.561 45.100 -0.048 0.000 0.632 295 G HN 0.575 nan 8.290 nan 0.000 0.529 296 R N 0.710 121.165 120.500 -0.075 0.000 2.154 296 R HA -0.136 4.205 4.340 0.001 0.000 0.248 296 R C 1.554 177.831 176.300 -0.038 0.000 1.155 296 R CA 2.247 58.311 56.100 -0.059 0.000 0.979 296 R CB -0.596 29.659 30.300 -0.076 0.000 0.869 296 R HN 0.471 nan 8.270 nan 0.000 0.452 297 D N -0.280 120.099 120.400 -0.035 0.000 2.368 297 D HA 0.069 4.710 4.640 0.001 0.000 0.218 297 D C -0.079 176.215 176.300 -0.011 0.000 1.112 297 D CA -0.234 53.755 54.000 -0.018 0.000 0.834 297 D CB 0.169 40.962 40.800 -0.012 0.000 0.953 297 D HN 0.039 nan 8.370 nan 0.000 0.505 298 R N 0.197 120.688 120.500 -0.014 0.000 2.732 298 R HA 0.518 4.859 4.340 0.001 0.000 0.278 298 R C -0.525 175.773 176.300 -0.005 0.000 0.976 298 R CA -1.049 55.047 56.100 -0.007 0.000 0.963 298 R CB 1.951 32.246 30.300 -0.009 0.000 1.150 298 R HN -0.106 nan 8.270 nan 0.000 0.478 299 V N 1.872 121.786 119.914 -0.000 0.000 2.455 299 V HA 0.209 4.330 4.120 0.001 0.000 0.273 299 V C 0.509 176.604 176.094 0.001 0.000 1.045 299 V CA -0.582 61.719 62.300 0.001 0.000 0.976 299 V CB 1.142 32.967 31.823 0.004 0.000 0.993 299 V HN 0.819 nan 8.190 nan 0.000 0.475 300 A N 8.462 131.282 122.820 0.000 0.000 2.539 300 A HA 0.526 4.847 4.320 0.001 0.000 0.306 300 A C -1.186 176.400 177.584 0.003 0.000 1.392 300 A CA -1.054 50.983 52.037 0.001 0.000 1.060 300 A CB -0.566 18.434 19.000 0.000 0.000 1.134 300 A HN 0.763 nan 8.150 nan 0.000 0.542 301 P HA 0.316 nan 4.420 nan 0.000 0.269 301 P C -0.209 177.094 177.300 0.005 0.000 1.209 301 P CA -0.052 63.050 63.100 0.005 0.000 0.776 301 P CB 1.005 32.708 31.700 0.005 0.000 0.876 302 A N 2.888 125.711 122.820 0.005 0.000 2.354 302 A HA 0.453 4.774 4.320 0.001 0.000 0.281 302 A C -0.059 177.528 177.584 0.004 0.000 1.174 302 A CA -0.430 51.610 52.037 0.005 0.000 0.828 302 A CB 0.185 19.188 19.000 0.005 0.000 1.099 302 A HN 0.405 nan 8.150 nan 0.000 0.516 303 V N 3.808 123.725 119.914 0.005 0.000 2.680 303 V HA 0.267 4.388 4.120 0.001 0.000 0.309 303 V C 0.139 176.236 176.094 0.004 0.000 1.052 303 V CA -0.867 61.436 62.300 0.004 0.000 0.908 303 V CB 2.047 33.872 31.823 0.004 0.000 1.001 303 V HN 0.950 nan 8.190 nan 0.000 0.431 304 K N 5.143 125.545 120.400 0.002 0.000 2.350 304 K HA 0.315 4.636 4.320 0.001 0.000 0.279 304 K C -2.131 174.471 176.600 0.004 0.000 1.027 304 K CA -1.101 55.187 56.287 0.002 0.000 0.969 304 K CB 0.467 32.965 32.500 -0.002 0.000 0.954 304 K HN 0.514 nan 8.250 nan 0.000 0.474 305 P HA -0.040 nan 4.420 nan 0.000 0.266 305 P C -0.946 176.359 177.300 0.009 0.000 1.195 305 P CA 0.165 63.272 63.100 0.011 0.000 0.768 305 P CB 0.669 32.379 31.700 0.016 0.000 0.838 306 M N 2.353 121.959 119.600 0.011 0.000 2.213 306 M HA 0.248 4.729 4.480 0.001 0.000 0.286 306 M C -1.540 174.771 176.300 0.017 0.000 1.008 306 M CA -0.309 54.997 55.300 0.009 0.000 0.937 306 M CB 2.052 34.653 32.600 0.002 0.000 1.600 306 M HN 0.324 nan 8.290 nan 0.000 0.450 307 Q N 5.093 124.907 119.800 0.024 0.000 2.347 307 Q HA 0.580 4.921 4.340 0.001 0.000 0.271 307 Q C -1.268 174.753 176.000 0.036 0.000 1.064 307 Q CA -0.709 55.118 55.803 0.040 0.000 0.800 307 Q CB 3.191 31.970 28.738 0.069 0.000 1.304 307 Q HN 0.734 nan 8.270 nan 0.000 0.438 308 I N 4.577 125.170 120.570 0.039 0.000 2.307 308 I HA 0.363 4.533 4.170 0.001 0.000 0.289 308 I C -0.084 176.065 176.117 0.054 0.000 1.021 308 I CA -0.543 60.779 61.300 0.038 0.000 1.224 308 I CB 0.278 38.302 38.000 0.040 0.000 1.376 308 I HN 0.500 nan 8.210 nan 0.000 0.470 309 I N 2.584 123.169 120.570 0.025 0.000 2.603 309 I HA 0.599 4.769 4.170 0.001 0.000 0.300 309 I C -0.672 175.388 176.117 -0.094 0.000 1.017 309 I CA -0.601 60.691 61.300 -0.013 0.000 1.098 309 I CB 2.135 40.107 38.000 -0.046 0.000 1.279 309 I HN 0.483 nan 8.210 nan 0.000 0.437 310 E N 4.797 124.914 120.200 -0.139 0.000 3.108 310 E HA 0.267 4.617 4.350 0.001 0.000 0.228 310 E C -2.211 174.228 176.600 -0.269 0.000 1.176 310 E CA -1.419 54.896 56.400 -0.142 0.000 0.881 310 E CB 1.414 31.094 29.700 -0.034 0.000 1.354 310 E HN 0.540 nan 8.360 nan 0.000 0.400 311 P HA -0.214 nan 4.420 nan 0.000 0.217 311 P C 0.305 177.502 177.300 -0.172 0.000 1.148 311 P CA 1.307 64.017 63.100 -0.650 0.000 0.834 311 P CB 0.253 31.639 31.700 -0.523 0.000 0.783 312 E N -1.050 119.086 120.200 -0.106 0.000 2.499 312 E HA 0.375 4.726 4.350 0.001 0.000 0.199 312 E C 0.855 177.444 176.600 -0.019 0.000 1.016 312 E CA -0.008 56.373 56.400 -0.032 0.000 0.933 312 E CB 0.135 29.815 29.700 -0.034 0.000 1.050 312 E HN 0.135 nan 8.360 nan 0.000 0.462 313 G N 1.477 110.265 108.800 -0.019 0.000 2.549 313 G HA2 -0.168 3.793 3.960 0.001 0.000 0.404 313 G HA3 -0.168 3.793 3.960 0.001 0.000 0.404 313 G C -0.827 174.017 174.900 -0.092 0.000 1.292 313 G CA -0.972 44.111 45.100 -0.029 0.000 0.935 313 G HN -0.048 nan 8.290 nan 0.000 0.512 314 K N -0.115 120.167 120.400 -0.196 0.000 2.132 314 K HA 0.433 4.753 4.320 0.001 0.000 0.241 314 K C 1.140 177.581 176.600 -0.265 0.000 1.000 314 K CA -0.631 55.435 56.287 -0.369 0.000 0.911 314 K CB 0.710 32.613 32.500 -0.994 0.000 1.093 314 K HN 0.538 nan 8.250 nan 0.000 0.460 315 N N -0.416 118.189 118.700 -0.158 0.000 2.422 315 N HA -0.018 4.723 4.740 0.001 0.000 0.181 315 N C -0.541 175.076 175.510 0.179 0.000 1.080 315 N CA 0.191 53.276 53.050 0.058 0.000 0.893 315 N CB 0.019 38.627 38.487 0.203 0.000 0.973 315 N HN 0.453 nan 8.380 nan 0.000 0.456 316 Y N -1.446 119.001 120.300 0.246 0.000 2.457 316 Y HA 0.699 5.249 4.550 0.001 0.000 0.333 316 Y C -0.308 175.608 175.900 0.025 0.000 1.119 316 Y CA -1.204 57.006 58.100 0.183 0.000 1.143 316 Y CB 0.773 39.310 38.460 0.128 0.000 1.230 316 Y HN -0.334 nan 8.280 nan 0.000 0.469 317 T N 4.323 118.997 114.554 0.200 0.000 2.829 317 T HA 0.552 4.903 4.350 0.001 0.000 0.280 317 T C -0.548 174.147 174.700 -0.008 0.000 0.999 317 T CA -0.596 61.538 62.100 0.057 0.000 0.983 317 T CB 0.777 69.694 68.868 0.081 0.000 0.968 317 T HN 0.613 nan 8.240 nan 0.000 0.446 318 I N 3.280 123.760 120.570 -0.150 0.000 2.388 318 I HA 0.240 4.411 4.170 0.001 0.000 0.281 318 I C 0.047 176.138 176.117 -0.043 0.000 1.046 318 I CA -0.566 60.622 61.300 -0.185 0.000 1.187 318 I CB 0.980 38.726 38.000 -0.423 0.000 1.351 318 I HN 0.525 nan 8.210 nan 0.000 0.472 319 T N 5.147 119.690 114.554 -0.018 0.000 2.832 319 T HA 0.499 4.849 4.350 0.001 0.000 0.313 319 T C 0.892 175.612 174.700 0.034 0.000 1.035 319 T CA 0.230 62.351 62.100 0.034 0.000 0.950 319 T CB 1.149 70.037 68.868 0.033 0.000 0.984 319 T HN 1.009 nan 8.240 nan 0.000 0.486 320 G N 4.104 112.944 108.800 0.067 0.000 2.557 320 G HA2 -0.275 3.685 3.960 0.001 0.000 0.292 320 G HA3 -0.275 3.685 3.960 0.001 0.000 0.292 320 G C 0.380 175.268 174.900 -0.020 0.000 1.162 320 G CA 0.329 45.456 45.100 0.046 0.000 0.964 320 G HN 0.605 nan 8.290 nan 0.000 0.541 321 D N 0.799 121.126 120.400 -0.121 0.000 2.398 321 D HA 0.204 4.845 4.640 0.001 0.000 0.210 321 D C 1.018 177.021 176.300 -0.495 0.000 1.094 321 D CA -0.008 53.786 54.000 -0.343 0.000 0.839 321 D CB 0.132 40.603 40.800 -0.547 0.000 0.963 321 D HN 0.176 nan 8.370 nan 0.000 0.506 322 M N 1.249 120.673 119.600 -0.293 0.000 2.200 322 M HA 0.285 4.765 4.480 0.001 0.000 0.355 322 M C 0.104 176.207 176.300 -0.328 0.000 1.283 322 M CA -0.020 55.114 55.300 -0.277 0.000 1.124 322 M CB 1.143 33.711 32.600 -0.054 0.000 1.625 322 M HN -0.178 nan 8.290 nan 0.000 0.463 323 I N 3.005 123.228 120.570 -0.578 0.000 2.362 323 I HA 0.209 4.379 4.170 0.001 0.000 0.289 323 I C -0.473 175.433 176.117 -0.351 0.000 0.994 323 I CA -0.696 60.241 61.300 -0.605 0.000 1.158 323 I CB 1.396 38.727 38.000 -1.114 0.000 1.315 323 I HN 0.596 nan 8.210 nan 0.000 0.451 324 H N 5.932 124.923 119.070 -0.132 0.000 2.481 324 H HA 0.453 5.009 4.556 0.001 0.000 0.333 324 H C -1.857 173.614 175.328 0.238 0.000 1.066 324 H CA -0.543 55.531 56.048 0.044 0.000 1.209 324 H CB 1.188 30.970 29.762 0.032 0.000 1.445 324 H HN 0.592 nan 8.280 nan 0.000 0.488 325 W N 8.675 129.642 121.300 -0.554 0.000 3.089 325 W HA 0.396 5.057 4.660 0.001 0.000 0.333 325 W C -0.824 175.548 176.519 -0.245 0.000 1.053 325 W CA -0.522 56.652 57.345 -0.284 0.000 1.257 325 W CB 0.467 29.923 29.460 -0.006 0.000 1.281 325 W HN 0.877 nan 8.180 nan 0.000 0.427 326 R N 2.420 122.464 120.500 -0.761 0.000 3.934 326 R HA -0.360 3.981 4.340 0.001 0.000 0.384 326 R C 0.555 176.573 176.300 -0.470 0.000 0.241 326 R CA 1.950 57.638 56.100 -0.686 0.000 1.241 326 R CB -1.335 28.358 30.300 -1.010 0.000 0.999 326 R HN 0.801 nan 8.270 nan 0.000 0.562 327 N N -0.231 118.150 118.700 -0.531 0.000 2.336 327 N HA 0.088 4.829 4.740 0.001 0.000 0.189 327 N C -0.233 174.931 175.510 -0.576 0.000 1.113 327 N CA -0.147 52.519 53.050 -0.640 0.000 0.858 327 N CB 0.168 37.974 38.487 -1.136 0.000 0.970 327 N HN 0.210 nan 8.380 nan 0.000 0.471 328 W N 1.396 122.608 121.300 -0.146 0.000 2.376 328 W HA 0.341 5.002 4.660 0.001 0.000 0.322 328 W C -0.195 176.415 176.519 0.152 0.000 1.160 328 W CA -0.561 56.855 57.345 0.119 0.000 1.218 328 W CB 0.963 30.615 29.460 0.319 0.000 1.205 328 W HN -0.168 nan 8.180 nan 0.000 0.559 329 D N 3.102 123.854 120.400 0.586 0.000 2.890 329 D HA 0.345 4.985 4.640 0.001 0.000 0.233 329 D C -1.097 175.487 176.300 0.472 0.000 1.306 329 D CA -0.302 53.943 54.000 0.407 0.000 0.929 329 D CB 1.983 42.989 40.800 0.344 0.000 1.512 329 D HN 0.228 nan 8.370 nan 0.000 0.568 330 F N -0.907 119.088 119.950 0.075 0.000 2.741 330 F HA 0.426 4.954 4.527 0.001 0.000 0.313 330 F C -1.435 174.321 175.800 -0.074 0.000 1.153 330 F CA -1.002 57.004 58.000 0.009 0.000 0.931 330 F CB 1.581 40.538 39.000 -0.071 0.000 1.335 330 F HN 0.157 nan 8.300 nan 0.000 0.460 331 H N 2.126 121.129 119.070 -0.112 0.000 2.459 331 H HA 0.659 5.216 4.556 0.001 0.000 0.332 331 H C -1.938 173.279 175.328 -0.184 0.000 1.094 331 H CA -0.694 55.164 56.048 -0.318 0.000 1.224 331 H CB 2.046 31.477 29.762 -0.551 0.000 1.449 331 H HN 0.802 nan 8.280 nan 0.000 0.484 332 L N 5.182 126.064 121.223 -0.569 0.000 2.343 332 L HA 0.339 4.680 4.340 0.001 0.000 0.278 332 L C -0.815 175.823 176.870 -0.387 0.000 0.996 332 L CA -0.184 54.457 54.840 -0.331 0.000 0.831 332 L CB 1.160 43.084 42.059 -0.224 0.000 1.232 332 L HN 0.689 nan 8.230 nan 0.000 0.413 333 S N 4.021 119.581 115.700 -0.233 0.000 2.704 333 S HA 0.866 5.337 4.470 0.001 0.000 0.296 333 S C -0.706 173.780 174.600 -0.190 0.000 1.138 333 S CA -0.920 57.181 58.200 -0.165 0.000 0.875 333 S CB 1.741 64.927 63.200 -0.023 0.000 1.151 333 S HN 0.590 nan 8.310 nan 0.000 0.500 334 M N 2.479 121.988 119.600 -0.151 0.000 2.456 334 M HA 0.527 5.008 4.480 0.001 0.000 0.324 334 M C -1.281 174.940 176.300 -0.131 0.000 1.124 334 M CA -0.571 54.622 55.300 -0.178 0.000 0.959 334 M CB 1.739 34.262 32.600 -0.129 0.000 1.692 334 M HN 0.864 nan 8.290 nan 0.000 0.444 335 N N 1.297 119.903 118.700 -0.157 0.000 2.296 335 N HA 0.262 5.003 4.740 0.001 0.000 0.294 335 N C 0.124 175.608 175.510 -0.042 0.000 1.033 335 N CA 0.168 53.168 53.050 -0.085 0.000 0.839 335 N CB 1.692 40.130 38.487 -0.082 0.000 1.395 335 N HN 0.849 nan 8.380 nan 0.000 0.479 336 S N 3.379 119.087 115.700 0.012 0.000 2.419 336 S HA -0.177 4.294 4.470 0.001 0.000 0.235 336 S C 1.679 176.329 174.600 0.083 0.000 1.019 336 S CA 0.864 59.100 58.200 0.060 0.000 0.982 336 S CB 0.033 63.275 63.200 0.070 0.000 0.789 336 S HN 0.735 nan 8.310 nan 0.000 0.490 337 R N 0.857 121.390 120.500 0.056 0.000 2.048 337 R HA 0.088 4.429 4.340 0.001 0.000 0.221 337 R C 2.215 178.570 176.300 0.092 0.000 1.174 337 R CA 1.438 57.573 56.100 0.059 0.000 0.971 337 R CB -0.197 30.102 30.300 -0.002 0.000 0.863 337 R HN 0.452 nan 8.270 nan 0.000 0.439 338 V N -1.733 118.213 119.914 0.054 0.000 3.650 338 V HA 0.429 4.549 4.120 0.001 0.000 0.271 338 V C 0.884 176.839 176.094 -0.232 0.000 1.281 338 V CA 0.475 62.783 62.300 0.014 0.000 1.120 338 V CB -0.175 31.671 31.823 0.038 0.000 0.856 338 V HN 0.685 nan 8.190 nan 0.000 0.443 339 G N 1.315 109.907 108.800 -0.347 0.000 2.496 339 G HA2 -0.187 3.773 3.960 0.001 0.000 0.243 339 G HA3 -0.187 3.773 3.960 0.001 0.000 0.243 339 G C -2.494 171.922 174.900 -0.805 0.000 1.176 339 G CA -0.171 44.376 45.100 -0.921 0.000 0.940 339 G HN 0.631 nan 8.290 nan 0.000 0.573 340 P HA 0.316 nan 4.420 nan 0.000 0.265 340 P C -0.493 176.467 177.300 -0.567 0.000 1.193 340 P CA 0.681 63.376 63.100 -0.674 0.000 0.765 340 P CB 0.441 31.765 31.700 -0.627 0.000 0.823 341 M N 3.837 123.162 119.600 -0.458 0.000 2.142 341 M HA 0.350 4.830 4.480 0.001 0.000 0.299 341 M C -0.363 175.700 176.300 -0.394 0.000 0.960 341 M CA -0.825 54.219 55.300 -0.426 0.000 0.920 341 M CB 1.873 34.298 32.600 -0.292 0.000 1.541 341 M HN 0.123 nan 8.290 nan 0.000 0.429 342 I N 2.747 123.010 120.570 -0.512 0.000 2.297 342 I HA 0.382 4.553 4.170 0.001 0.000 0.291 342 I C 0.045 176.012 176.117 -0.250 0.000 1.033 342 I CA 0.054 61.149 61.300 -0.342 0.000 1.253 342 I CB 0.329 38.032 38.000 -0.495 0.000 1.396 342 I HN 0.588 nan 8.210 nan 0.000 0.476 343 S N 3.138 118.748 115.700 -0.148 0.000 2.677 343 S HA 0.490 4.961 4.470 0.001 0.000 0.304 343 S C 0.185 174.672 174.600 -0.189 0.000 1.108 343 S CA -0.586 57.432 58.200 -0.303 0.000 0.944 343 S CB 1.747 64.686 63.200 -0.435 0.000 1.127 343 S HN 0.805 nan 8.310 nan 0.000 0.511 344 T N -1.425 112.856 114.554 -0.456 0.000 3.473 344 T HA -0.155 4.196 4.350 0.001 0.000 0.403 344 T C -0.142 174.710 174.700 0.253 0.000 0.768 344 T CA 0.000 61.894 62.100 -0.344 0.000 2.009 344 T CB -2.376 66.399 68.868 -0.155 0.000 1.715 344 T HN 0.420 nan 8.240 nan 0.000 0.666 345 V N 3.052 123.186 119.914 0.368 0.000 2.389 345 V HA 0.571 4.691 4.120 0.001 0.000 0.264 345 V C 1.196 177.681 176.094 0.652 0.000 1.049 345 V CA 0.152 62.760 62.300 0.514 0.000 0.932 345 V CB 0.743 32.793 31.823 0.379 0.000 1.011 345 V HN 1.000 nan 8.190 nan 0.000 0.475 346 T N 2.038 116.974 114.554 0.637 0.000 2.932 346 T HA 0.642 4.993 4.350 0.001 0.000 0.289 346 T C -1.053 173.945 174.700 0.497 0.000 1.039 346 T CA -0.749 61.665 62.100 0.524 0.000 1.024 346 T CB 1.880 70.986 68.868 0.397 0.000 1.090 346 T HN 0.382 nan 8.240 nan 0.000 0.496 347 Y N 2.100 122.531 120.300 0.219 0.000 2.338 347 Y HA 0.444 4.995 4.550 0.001 0.000 0.328 347 Y C -0.033 175.919 175.900 0.086 0.000 0.965 347 Y CA -1.049 57.051 58.100 -0.001 0.000 1.208 347 Y CB 1.146 39.557 38.460 -0.082 0.000 1.132 347 Y HN 0.821 nan 8.280 nan 0.000 0.469 348 N N 4.599 123.161 118.700 -0.229 0.000 2.416 348 N HA -0.035 4.705 4.740 0.001 0.000 0.271 348 N C -1.114 174.393 175.510 -0.005 0.000 1.245 348 N CA 0.425 53.429 53.050 -0.077 0.000 0.940 348 N CB 0.234 38.661 38.487 -0.101 0.000 1.175 348 N HN 0.582 nan 8.380 nan 0.000 0.483 349 D N 3.468 123.977 120.400 0.183 0.000 2.485 349 D HA 0.162 4.803 4.640 0.001 0.000 0.221 349 D C -0.490 175.878 176.300 0.114 0.000 1.112 349 D CA -0.169 53.980 54.000 0.248 0.000 0.911 349 D CB -0.900 40.105 40.800 0.340 0.000 1.019 349 D HN 0.672 nan 8.370 nan 0.000 0.516 350 N N 2.671 121.407 118.700 0.060 0.000 2.705 350 N HA -0.264 4.477 4.740 0.001 0.000 0.255 350 N C 0.923 176.445 175.510 0.019 0.000 1.008 350 N CA 0.497 53.563 53.050 0.027 0.000 0.742 350 N CB -0.651 37.855 38.487 0.032 0.000 0.906 350 N HN 0.698 nan 8.380 nan 0.000 0.541 351 G N -1.939 106.869 108.800 0.013 0.000 2.254 351 G HA2 -0.280 3.681 3.960 0.001 0.000 0.225 351 G HA3 -0.280 3.681 3.960 0.001 0.000 0.225 351 G C 0.138 175.048 174.900 0.018 0.000 1.003 351 G CA 0.338 45.444 45.100 0.009 0.000 0.622 351 G HN 0.402 nan 8.290 nan 0.000 0.507 352 T N 2.087 116.662 114.554 0.035 0.000 2.788 352 T HA 0.502 4.853 4.350 0.001 0.000 0.296 352 T C 0.056 174.799 174.700 0.071 0.000 1.009 352 T CA -0.403 61.721 62.100 0.039 0.000 0.949 352 T CB 1.364 70.249 68.868 0.027 0.000 0.946 352 T HN 0.307 nan 8.240 nan 0.000 0.453 353 K N 3.777 124.217 120.400 0.067 0.000 2.336 353 K HA 0.186 4.506 4.320 0.001 0.000 0.290 353 K C 0.338 176.999 176.600 0.101 0.000 1.067 353 K CA 0.096 56.446 56.287 0.105 0.000 0.962 353 K CB 0.487 33.052 32.500 0.108 0.000 1.008 353 K HN 0.356 nan 8.250 nan 0.000 0.467 354 R N 2.905 123.512 120.500 0.179 0.000 2.312 354 R HA 0.187 4.527 4.340 0.001 0.000 0.311 354 R C -0.274 176.148 176.300 0.205 0.000 1.004 354 R CA -0.784 55.415 56.100 0.166 0.000 0.902 354 R CB 1.200 31.642 30.300 0.237 0.000 1.073 354 R HN 0.341 nan 8.270 nan 0.000 0.457 355 K N 1.277 121.691 120.400 0.024 0.000 2.436 355 K HA 0.012 4.332 4.320 0.001 0.000 0.275 355 K C 0.322 177.053 176.600 0.217 0.000 0.999 355 K CA -0.043 56.221 56.287 -0.040 0.000 0.980 355 K CB 0.854 33.128 32.500 -0.377 0.000 0.919 355 K HN 0.339 nan 8.250 nan 0.000 0.484 356 V N 2.071 122.155 119.914 0.283 0.000 3.103 356 V HA 0.148 4.269 4.120 0.001 0.000 0.229 356 V C -0.086 176.075 176.094 0.112 0.000 1.304 356 V CA 0.032 62.416 62.300 0.139 0.000 1.298 356 V CB 0.454 32.375 31.823 0.162 0.000 1.093 356 V HN 0.776 nan 8.190 nan 0.000 0.489 357 M N -1.129 118.643 119.600 0.286 0.000 2.255 357 M HA 0.342 4.822 4.480 0.001 0.000 0.275 357 M C -0.177 176.298 176.300 0.291 0.000 1.050 357 M CA -0.570 54.858 55.300 0.215 0.000 0.978 357 M CB 2.004 34.635 32.600 0.051 0.000 1.761 357 M HN 0.249 nan 8.290 nan 0.000 0.479 358 Y N 4.020 124.410 120.300 0.150 0.000 2.242 358 Y HA 0.046 4.597 4.550 0.001 0.000 0.291 358 Y C -0.055 175.688 175.900 -0.262 0.000 1.137 358 Y CA 2.224 60.216 58.100 -0.181 0.000 1.181 358 Y CB 0.503 38.832 38.460 -0.218 0.000 0.989 358 Y HN 0.629 nan 8.280 nan 0.000 0.527 359 E N -1.530 118.486 120.200 -0.308 0.000 2.478 359 E HA 0.520 4.870 4.350 0.001 0.000 0.293 359 E C -1.022 175.442 176.600 -0.225 0.000 1.011 359 E CA -0.479 55.700 56.400 -0.368 0.000 0.834 359 E CB 0.889 30.292 29.700 -0.496 0.000 1.226 359 E HN 0.185 nan 8.360 nan 0.000 0.419 360 G N 0.599 109.240 108.800 -0.264 0.000 2.619 360 G HA2 0.797 4.757 3.960 0.001 0.000 0.296 360 G HA3 0.797 4.757 3.960 0.001 0.000 0.296 360 G C -0.853 173.843 174.900 -0.340 0.000 1.334 360 G CA -0.240 44.748 45.100 -0.186 0.000 0.934 360 G HN 1.111 nan 8.290 nan 0.000 0.476 361 S N -0.678 114.996 115.700 -0.043 0.000 2.683 361 S HA 0.448 4.918 4.470 0.001 0.000 0.264 361 S C -1.356 173.462 174.600 0.363 0.000 1.066 361 S CA -0.781 57.407 58.200 -0.020 0.000 0.846 361 S CB 0.678 63.752 63.200 -0.209 0.000 1.114 361 S HN 1.734 nan 8.310 nan 0.000 0.476 362 L N 2.154 123.552 121.223 0.291 0.000 2.490 362 L HA 0.621 4.961 4.340 0.001 0.000 0.274 362 L C 1.301 178.189 176.870 0.031 0.000 1.201 362 L CA 1.430 56.352 54.840 0.138 0.000 0.869 362 L CB 0.315 42.321 42.059 -0.088 0.000 1.123 362 L HN 1.030 nan 8.230 nan 0.000 0.484 363 G N 2.889 111.674 108.800 -0.025 0.000 2.439 363 G HA2 0.473 4.433 3.960 0.001 0.000 0.212 363 G HA3 0.473 4.433 3.960 0.001 0.000 0.212 363 G C 0.393 175.330 174.900 0.061 0.000 1.199 363 G CA 0.504 45.630 45.100 0.042 0.000 0.807 363 G HN 1.143 nan 8.290 nan 0.000 0.537 364 G N -1.199 107.553 108.800 -0.080 0.000 2.356 364 G HA2 0.548 4.509 3.960 0.001 0.000 0.294 364 G HA3 0.548 4.509 3.960 0.001 0.000 0.294 364 G C -1.013 173.817 174.900 -0.117 0.000 1.423 364 G CA -0.291 44.755 45.100 -0.090 0.000 0.806 364 G HN 0.772 nan 8.290 nan 0.000 0.527 365 M N -0.800 118.801 119.600 0.001 0.000 2.683 365 M HA 0.892 5.372 4.480 0.001 0.000 0.274 365 M C -1.646 174.790 176.300 0.226 0.000 1.272 365 M CA -1.114 54.249 55.300 0.105 0.000 0.833 365 M CB 2.767 35.397 32.600 0.051 0.000 1.708 365 M HN 0.716 nan 8.290 nan 0.000 0.463 366 I N 1.365 122.069 120.570 0.223 0.000 2.692 366 I HA 0.595 4.766 4.170 0.001 0.000 0.293 366 I C -1.820 174.362 176.117 0.109 0.000 1.200 366 I CA -0.913 60.528 61.300 0.235 0.000 1.036 366 I CB 2.503 40.680 38.000 0.295 0.000 1.258 366 I HN 0.637 nan 8.210 nan 0.000 0.421 367 V N 8.454 128.458 119.914 0.151 0.000 2.315 367 V HA 0.364 4.485 4.120 0.001 0.000 0.265 367 V C -2.348 173.744 176.094 -0.004 0.000 1.019 367 V CA -1.166 61.150 62.300 0.028 0.000 0.824 367 V CB 0.910 32.809 31.823 0.127 0.000 1.072 367 V HN 0.537 nan 8.190 nan 0.000 0.448 368 P HA 0.366 nan 4.420 nan 0.000 0.292 368 P C -1.217 176.092 177.300 0.015 0.000 1.287 368 P CA -0.252 62.964 63.100 0.194 0.000 0.800 368 P CB 1.392 33.358 31.700 0.443 0.000 0.945 369 Y N 0.948 121.283 120.300 0.058 0.000 2.458 369 Y HA 0.507 5.057 4.550 0.001 0.000 0.322 369 Y C 1.911 177.845 175.900 0.057 0.000 1.259 369 Y CA 0.255 58.386 58.100 0.051 0.000 1.302 369 Y CB 0.898 39.409 38.460 0.085 0.000 1.314 369 Y HN 0.480 nan 8.280 nan 0.000 0.509 370 G N -0.425 108.452 108.800 0.128 0.000 3.519 370 G HA2 0.008 3.969 3.960 0.001 0.000 0.269 370 G HA3 0.008 3.969 3.960 0.001 0.000 0.269 370 G C -0.612 174.240 174.900 -0.081 0.000 1.028 370 G CA -0.099 45.018 45.100 0.030 0.000 0.809 370 G HN 0.486 nan 8.290 nan 0.000 0.521 371 D N 1.310 121.647 120.400 -0.105 0.000 2.249 371 D HA 0.218 4.858 4.640 0.001 0.000 0.246 371 D C -1.299 174.871 176.300 -0.217 0.000 1.114 371 D CA -1.825 51.917 54.000 -0.431 0.000 0.854 371 D CB 2.776 43.291 40.800 -0.476 0.000 1.132 371 D HN 0.025 nan 8.370 nan 0.000 0.461 372 P HA -0.014 nan 4.420 nan 0.000 0.233 372 P C -0.130 177.203 177.300 0.055 0.000 1.167 372 P CA 0.046 63.083 63.100 -0.106 0.000 0.770 372 P CB 0.573 32.163 31.700 -0.183 0.000 0.837 373 D N 0.491 120.923 120.400 0.053 0.000 2.362 373 D HA -0.025 4.616 4.640 0.001 0.000 0.238 373 D C 1.953 178.475 176.300 0.370 0.000 1.212 373 D CA -0.072 54.045 54.000 0.194 0.000 0.902 373 D CB 0.492 41.406 40.800 0.189 0.000 1.180 373 D HN 0.072 nan 8.370 nan 0.000 0.445 374 I N -1.620 119.146 120.570 0.328 0.000 2.185 374 I HA -0.173 3.998 4.170 0.001 0.000 0.246 374 I C 1.640 177.918 176.117 0.268 0.000 1.088 374 I CA 1.806 63.321 61.300 0.358 0.000 1.347 374 I CB -0.599 37.528 38.000 0.212 0.000 1.041 374 I HN 0.302 nan 8.210 nan 0.000 0.415 375 G N -1.034 107.875 108.800 0.181 0.000 3.088 375 G HA2 0.101 4.062 3.960 0.001 0.000 0.212 375 G HA3 0.101 4.062 3.960 0.001 0.000 0.212 375 G C 0.557 175.026 174.900 -0.719 0.000 1.173 375 G CA -0.070 44.961 45.100 -0.116 0.000 0.779 375 G HN 0.650 nan 8.290 nan 0.000 0.540 376 W N -1.775 119.333 121.300 -0.319 0.000 3.864 376 W HA 0.169 4.830 4.660 0.001 0.000 0.197 376 W C 2.034 178.238 176.519 -0.524 0.000 1.100 376 W CA -0.123 56.910 57.345 -0.520 0.000 1.557 376 W CB -0.509 28.795 29.460 -0.259 0.000 0.673 376 W HN 0.162 nan 8.180 nan 0.000 0.888 377 Y N 1.428 121.725 120.300 -0.005 0.000 2.173 377 Y HA -0.369 4.181 4.550 0.001 0.000 0.282 377 Y C 1.791 177.774 175.900 0.140 0.000 1.192 377 Y CA 1.720 59.850 58.100 0.050 0.000 1.176 377 Y CB -2.025 36.442 38.460 0.012 0.000 0.969 377 Y HN 0.101 nan 8.280 nan 0.000 0.519 378 F N 0.196 119.966 119.950 -0.299 0.000 2.743 378 F HA 0.357 4.884 4.527 0.001 0.000 0.297 378 F C 0.621 176.525 175.800 0.174 0.000 1.131 378 F CA -1.057 56.962 58.000 0.033 0.000 1.426 378 F CB -0.603 38.226 39.000 -0.286 0.000 1.116 378 F HN -0.218 nan 8.300 nan 0.000 0.583 379 K N 2.310 122.414 120.400 -0.493 0.000 2.245 379 K HA 0.442 4.762 4.320 0.001 0.000 0.281 379 K C -0.237 176.400 176.600 0.063 0.000 1.079 379 K CA 0.378 56.550 56.287 -0.191 0.000 1.000 379 K CB 0.170 32.268 32.500 -0.670 0.000 1.038 379 K HN 0.345 nan 8.250 nan 0.000 0.430 380 A N 4.912 127.908 122.820 0.293 0.000 3.266 380 A HA 0.206 4.527 4.320 0.001 0.000 0.310 380 A C -0.883 176.982 177.584 0.469 0.000 1.066 380 A CA -0.674 51.547 52.037 0.307 0.000 0.839 380 A CB 0.113 19.264 19.000 0.251 0.000 1.192 380 A HN 0.682 nan 8.150 nan 0.000 0.496 381 Y N 1.192 121.654 120.300 0.270 0.000 2.650 381 Y HA 0.136 4.687 4.550 0.001 0.000 0.331 381 Y C 0.513 176.573 175.900 0.266 0.000 1.165 381 Y CA -0.138 58.133 58.100 0.285 0.000 1.473 381 Y CB 0.529 39.164 38.460 0.292 0.000 1.224 381 Y HN 0.402 nan 8.280 nan 0.000 0.533 382 L N 4.794 126.266 121.223 0.416 0.000 2.701 382 L HA 0.128 4.468 4.340 0.001 0.000 0.237 382 L C 0.569 177.624 176.870 0.308 0.000 1.204 382 L CA -0.409 54.609 54.840 0.297 0.000 1.109 382 L CB 0.025 42.205 42.059 0.202 0.000 1.409 382 L HN 0.735 nan 8.230 nan 0.000 0.428 383 D N 0.721 121.344 120.400 0.372 0.000 2.248 383 D HA -0.269 4.371 4.640 0.001 0.000 0.189 383 D C 2.147 178.652 176.300 0.342 0.000 1.011 383 D CA 2.278 56.519 54.000 0.402 0.000 0.868 383 D CB 0.049 41.062 40.800 0.353 0.000 0.931 383 D HN 0.551 nan 8.370 nan 0.000 0.449 384 S N -0.443 115.396 115.700 0.232 0.000 2.357 384 S HA -0.013 4.457 4.470 0.001 0.000 0.221 384 S C 2.267 176.916 174.600 0.082 0.000 1.031 384 S CA 1.232 59.540 58.200 0.179 0.000 0.982 384 S CB -0.884 62.401 63.200 0.142 0.000 0.853 384 S HN 0.306 nan 8.310 nan 0.000 0.458 385 G N 1.695 110.501 108.800 0.011 0.000 2.404 385 G HA2 -0.130 3.830 3.960 0.001 0.000 0.215 385 G HA3 -0.130 3.830 3.960 0.001 0.000 0.215 385 G C 1.084 175.937 174.900 -0.079 0.000 1.174 385 G CA 1.051 46.083 45.100 -0.114 0.000 0.780 385 G HN 0.504 nan 8.290 nan 0.000 0.537 386 D N -1.182 119.202 120.400 -0.027 0.000 2.305 386 D HA 0.085 4.725 4.640 0.001 0.000 0.206 386 D C 1.268 177.362 176.300 -0.343 0.000 0.974 386 D CA 0.554 54.443 54.000 -0.184 0.000 0.871 386 D CB 0.130 40.792 40.800 -0.230 0.000 0.947 386 D HN 0.471 nan 8.370 nan 0.000 0.516 387 Y N -0.485 119.872 120.300 0.095 0.000 2.432 387 Y HA 0.335 4.885 4.550 0.001 0.000 0.252 387 Y C 1.018 176.999 175.900 0.135 0.000 1.097 387 Y CA 0.033 58.219 58.100 0.143 0.000 1.250 387 Y CB 1.009 39.580 38.460 0.185 0.000 1.245 387 Y HN -0.114 nan 8.280 nan 0.000 0.522 388 G N 1.639 110.576 108.800 0.228 0.000 2.587 388 G HA2 -0.267 3.693 3.960 0.001 0.000 0.245 388 G HA3 -0.267 3.693 3.960 0.001 0.000 0.245 388 G C 0.457 175.509 174.900 0.254 0.000 0.959 388 G CA 0.284 45.497 45.100 0.189 0.000 1.268 388 G HN 0.304 nan 8.290 nan 0.000 0.448 389 M N 1.340 121.123 119.600 0.304 0.000 2.254 389 M HA 0.022 4.502 4.480 0.001 0.000 0.265 389 M C 2.776 179.402 176.300 0.543 0.000 1.066 389 M CA 1.996 57.545 55.300 0.415 0.000 1.123 389 M CB -0.179 32.730 32.600 0.516 0.000 1.388 389 M HN 0.637 nan 8.290 nan 0.000 0.425 390 G N 0.291 109.343 108.800 0.420 0.000 2.459 390 G HA2 -0.213 3.748 3.960 0.001 0.000 0.217 390 G HA3 -0.213 3.748 3.960 0.001 0.000 0.217 390 G C 1.455 176.529 174.900 0.290 0.000 1.183 390 G CA 1.598 46.896 45.100 0.329 0.000 0.776 390 G HN 0.357 nan 8.290 nan 0.000 0.552 391 T N 1.362 116.043 114.554 0.212 0.000 2.737 391 T HA -0.057 4.293 4.350 0.001 0.000 0.269 391 T C 2.092 176.895 174.700 0.171 0.000 1.040 391 T CA 0.839 63.041 62.100 0.170 0.000 1.142 391 T CB -0.187 68.771 68.868 0.150 0.000 0.861 391 T HN 0.131 nan 8.240 nan 0.000 0.456 392 L N 1.357 122.699 121.223 0.198 0.000 2.627 392 L HA 0.110 4.450 4.340 0.001 0.000 0.232 392 L C 0.683 177.642 176.870 0.148 0.000 1.150 392 L CA -0.179 54.752 54.840 0.152 0.000 0.917 392 L CB -0.790 41.360 42.059 0.152 0.000 1.104 392 L HN 0.117 nan 8.230 nan 0.000 0.445 393 T N 0.425 115.120 114.554 0.235 0.000 2.891 393 T HA -0.055 4.295 4.350 0.001 0.000 0.296 393 T C 0.656 175.419 174.700 0.105 0.000 1.025 393 T CA 0.473 62.715 62.100 0.235 0.000 1.149 393 T CB 0.443 69.574 68.868 0.439 0.000 1.007 393 T HN 0.127 nan 8.240 nan 0.000 0.528 394 S N 5.587 121.296 115.700 0.016 0.000 2.422 394 S HA 0.337 4.808 4.470 0.001 0.000 0.308 394 S C -2.191 172.428 174.600 0.032 0.000 1.097 394 S CA -1.202 57.002 58.200 0.008 0.000 1.099 394 S CB 0.987 64.160 63.200 -0.044 0.000 0.976 394 S HN 0.451 nan 8.310 nan 0.000 0.471 395 P HA 0.030 nan 4.420 nan 0.000 0.261 395 P C -0.265 177.057 177.300 0.036 0.000 1.183 395 P CA -0.098 63.032 63.100 0.051 0.000 0.761 395 P CB 0.197 31.919 31.700 0.037 0.000 0.785 396 I N 2.550 123.152 120.570 0.052 0.000 2.741 396 I HA -0.024 4.146 4.170 0.001 0.000 0.288 396 I C 0.988 177.115 176.117 0.016 0.000 1.192 396 I CA 0.051 61.376 61.300 0.041 0.000 1.426 396 I CB -0.352 37.689 38.000 0.068 0.000 1.367 396 I HN 0.363 nan 8.210 nan 0.000 0.563 397 A N 7.992 130.814 122.820 0.003 0.000 2.376 397 A HA 0.211 4.531 4.320 0.001 0.000 0.298 397 A C 0.791 178.366 177.584 -0.014 0.000 1.271 397 A CA -0.519 51.514 52.037 -0.006 0.000 0.926 397 A CB -0.117 18.878 19.000 -0.008 0.000 1.141 397 A HN 0.765 nan 8.150 nan 0.000 0.539 398 R N 1.898 122.388 120.500 -0.017 0.000 2.481 398 R HA 0.152 4.493 4.340 0.001 0.000 0.291 398 R C 1.518 177.802 176.300 -0.028 0.000 0.934 398 R CA 1.805 57.891 56.100 -0.023 0.000 1.116 398 R CB -0.038 30.245 30.300 -0.028 0.000 0.895 398 R HN 1.552 nan 8.270 nan 0.000 0.410 399 G N 3.203 111.977 108.800 -0.042 0.000 2.304 399 G HA2 -0.372 3.589 3.960 0.001 0.000 0.252 399 G HA3 -0.372 3.589 3.960 0.001 0.000 0.252 399 G C 0.781 175.651 174.900 -0.050 0.000 1.014 399 G CA 0.748 45.821 45.100 -0.045 0.000 0.619 399 G HN 0.630 nan 8.290 nan 0.000 0.525 400 K N -0.492 119.884 120.400 -0.041 0.000 2.216 400 K HA 0.167 4.487 4.320 0.001 0.000 0.207 400 K C 1.558 178.137 176.600 -0.035 0.000 1.041 400 K CA 0.628 56.896 56.287 -0.032 0.000 0.966 400 K CB -0.025 32.464 32.500 -0.018 0.000 0.955 400 K HN 0.118 nan 8.250 nan 0.000 0.468 401 D N 0.678 121.060 120.400 -0.029 0.000 2.312 401 D HA 0.022 4.662 4.640 0.001 0.000 0.211 401 D C 0.024 176.305 176.300 -0.032 0.000 0.964 401 D CA 0.584 54.577 54.000 -0.013 0.000 0.877 401 D CB 0.356 41.156 40.800 -0.000 0.000 0.924 401 D HN 0.194 nan 8.370 nan 0.000 0.515 402 A N 0.388 123.140 122.820 -0.113 0.000 2.539 402 A HA 0.559 4.880 4.320 0.001 0.000 0.296 402 A C -2.688 174.679 177.584 -0.361 0.000 1.073 402 A CA -1.368 50.478 52.037 -0.318 0.000 0.700 402 A CB 1.672 20.511 19.000 -0.268 0.000 1.296 402 A HN -0.219 nan 8.150 nan 0.000 0.405 403 P HA 0.051 nan 4.420 nan 0.000 0.269 403 P C 0.933 178.114 177.300 -0.198 0.000 1.215 403 P CA 0.490 63.391 63.100 -0.331 0.000 0.780 403 P CB 0.868 32.353 31.700 -0.359 0.000 0.898 404 S N 0.768 116.418 115.700 -0.084 0.000 2.465 404 S HA -0.176 4.294 4.470 0.001 0.000 0.241 404 S C 1.220 175.839 174.600 0.030 0.000 1.000 404 S CA 1.039 59.230 58.200 -0.015 0.000 0.964 404 S CB -1.104 62.106 63.200 0.016 0.000 0.763 404 S HN 0.663 nan 8.310 nan 0.000 0.512 405 N N 1.858 120.577 118.700 0.033 0.000 2.276 405 N HA 0.290 5.031 4.740 0.001 0.000 0.212 405 N C 0.113 175.717 175.510 0.157 0.000 1.127 405 N CA 0.243 53.355 53.050 0.103 0.000 0.834 405 N CB -0.041 38.514 38.487 0.114 0.000 1.014 405 N HN 0.489 nan 8.380 nan 0.000 0.491 406 A N 0.327 123.209 122.820 0.104 0.000 2.302 406 A HA 0.545 4.865 4.320 0.001 0.000 0.285 406 A C -0.229 177.479 177.584 0.207 0.000 1.105 406 A CA -0.519 51.630 52.037 0.188 0.000 0.816 406 A CB 1.064 20.088 19.000 0.040 0.000 1.067 406 A HN 0.072 nan 8.150 nan 0.000 0.489 407 V N 2.833 122.910 119.914 0.270 0.000 2.347 407 V HA 0.274 4.395 4.120 0.001 0.000 0.280 407 V C -0.269 175.963 176.094 0.231 0.000 1.021 407 V CA -0.178 62.286 62.300 0.273 0.000 0.847 407 V CB 0.962 32.994 31.823 0.349 0.000 0.990 407 V HN 0.673 nan 8.190 nan 0.000 0.444 408 L N 6.526 127.858 121.223 0.183 0.000 2.257 408 L HA 0.522 4.862 4.340 0.001 0.000 0.290 408 L C -0.352 176.601 176.870 0.138 0.000 1.044 408 L CA -0.296 54.628 54.840 0.140 0.000 0.810 408 L CB 0.924 43.029 42.059 0.076 0.000 1.193 408 L HN 0.409 nan 8.230 nan 0.000 0.425 409 L N 3.619 124.928 121.223 0.144 0.000 2.334 409 L HA 0.416 4.756 4.340 0.001 0.000 0.277 409 L C 0.038 176.948 176.870 0.067 0.000 1.075 409 L CA -0.631 54.280 54.840 0.119 0.000 0.804 409 L CB 0.901 43.035 42.059 0.124 0.000 1.174 409 L HN 0.586 nan 8.230 nan 0.000 0.438 410 N N 1.994 120.711 118.700 0.028 0.000 2.487 410 N HA 0.373 5.113 4.740 0.001 0.000 0.292 410 N C -0.734 174.785 175.510 0.016 0.000 1.108 410 N CA -0.534 52.526 53.050 0.018 0.000 0.956 410 N CB 1.931 40.412 38.487 -0.010 0.000 1.176 410 N HN 0.487 nan 8.380 nan 0.000 0.484 411 E N 0.634 120.849 120.200 0.024 0.000 2.293 411 E HA 0.385 4.736 4.350 0.001 0.000 0.270 411 E C -0.746 175.860 176.600 0.011 0.000 0.879 411 E CA -0.548 55.858 56.400 0.009 0.000 0.756 411 E CB 2.126 31.831 29.700 0.008 0.000 1.208 411 E HN 0.323 nan 8.360 nan 0.000 0.428 412 T N 3.182 117.735 114.554 -0.003 0.000 2.797 412 T HA 0.704 5.055 4.350 0.001 0.000 0.279 412 T C 0.359 175.057 174.700 -0.004 0.000 0.991 412 T CA -0.530 61.569 62.100 -0.002 0.000 0.979 412 T CB 0.397 69.260 68.868 -0.010 0.000 0.943 412 T HN 0.430 nan 8.240 nan 0.000 0.444 413 I N -0.590 119.983 120.570 0.005 0.000 3.279 413 I HA 0.958 5.129 4.170 0.001 0.000 0.315 413 I C -0.837 175.282 176.117 0.004 0.000 1.187 413 I CA -1.888 59.416 61.300 0.007 0.000 0.953 413 I CB 1.854 39.871 38.000 0.027 0.000 1.279 413 I HN 0.598 nan 8.210 nan 0.000 0.465 414 A N 1.976 124.797 122.820 0.003 0.000 2.309 414 A HA 0.577 4.898 4.320 0.001 0.000 0.298 414 A C -0.593 177.009 177.584 0.030 0.000 1.165 414 A CA -0.436 51.594 52.037 -0.011 0.000 0.821 414 A CB 0.310 19.282 19.000 -0.046 0.000 1.102 414 A HN 0.840 nan 8.150 nan 0.000 0.500 415 D N 0.612 121.020 120.400 0.014 0.000 2.414 415 D HA 0.056 4.696 4.640 0.001 0.000 0.251 415 D C 0.779 177.135 176.300 0.092 0.000 1.252 415 D CA 0.025 54.058 54.000 0.055 0.000 0.999 415 D CB -0.067 40.730 40.800 -0.005 0.000 1.093 415 D HN 0.657 nan 8.370 nan 0.000 0.515 416 Y N -2.386 117.986 120.300 0.120 0.000 2.569 416 Y HA -0.014 4.537 4.550 0.001 0.000 0.293 416 Y C 1.612 177.671 175.900 0.265 0.000 1.144 416 Y CA 1.036 59.239 58.100 0.171 0.000 1.321 416 Y CB -0.840 37.688 38.460 0.113 0.000 0.982 416 Y HN 0.354 nan 8.280 nan 0.000 0.558 417 T N -3.592 110.757 114.554 -0.341 0.000 3.105 417 T HA 0.474 4.825 4.350 0.001 0.000 0.253 417 T C 1.498 176.289 174.700 0.153 0.000 1.047 417 T CA 0.159 62.207 62.100 -0.088 0.000 0.944 417 T CB -0.220 68.460 68.868 -0.314 0.000 1.016 417 T HN 0.840 nan 8.240 nan 0.000 0.544 418 G N 0.650 109.476 108.800 0.044 0.000 2.157 418 G HA2 -0.219 3.741 3.960 0.001 0.000 0.248 418 G HA3 -0.219 3.741 3.960 0.001 0.000 0.248 418 G C -0.025 174.753 174.900 -0.203 0.000 0.979 418 G CA -0.048 44.863 45.100 -0.315 0.000 0.650 418 G HN 0.710 nan 8.290 nan 0.000 0.529 419 V N 1.597 121.439 119.914 -0.119 0.000 2.439 419 V HA 0.449 4.570 4.120 0.001 0.000 0.282 419 V C -1.561 174.491 176.094 -0.069 0.000 1.039 419 V CA -1.702 60.543 62.300 -0.091 0.000 0.913 419 V CB 1.650 33.428 31.823 -0.075 0.000 0.983 419 V HN 0.069 nan 8.190 nan 0.000 0.460 420 P HA 0.079 nan 4.420 nan 0.000 0.264 420 P C -0.561 176.724 177.300 -0.024 0.000 1.183 420 P CA 0.371 63.446 63.100 -0.041 0.000 0.763 420 P CB 0.290 31.966 31.700 -0.039 0.000 0.807 421 M N 2.780 122.374 119.600 -0.010 0.000 2.151 421 M HA 0.306 4.787 4.480 0.001 0.000 0.290 421 M C -0.817 175.490 176.300 0.013 0.000 0.965 421 M CA -0.689 54.614 55.300 0.006 0.000 0.930 421 M CB 1.539 34.151 32.600 0.020 0.000 1.560 421 M HN 0.158 nan 8.290 nan 0.000 0.438 422 E N 5.663 125.870 120.200 0.012 0.000 2.115 422 E HA 0.384 4.735 4.350 0.001 0.000 0.282 422 E C -1.375 175.241 176.600 0.026 0.000 0.987 422 E CA -0.412 55.996 56.400 0.014 0.000 0.797 422 E CB 0.824 30.526 29.700 0.004 0.000 1.086 422 E HN 0.753 nan 8.360 nan 0.000 0.397 423 I N 8.211 128.804 120.570 0.039 0.000 2.308 423 I HA 0.222 4.392 4.170 0.001 0.000 0.293 423 I C -1.849 174.298 176.117 0.049 0.000 1.078 423 I CA -2.106 59.228 61.300 0.058 0.000 1.292 423 I CB 0.551 38.607 38.000 0.093 0.000 1.423 423 I HN 0.426 nan 8.210 nan 0.000 0.493 424 P HA 0.062 nan 4.420 nan 0.000 0.271 424 P C -0.412 176.912 177.300 0.039 0.000 1.216 424 P CA -0.197 62.916 63.100 0.022 0.000 0.771 424 P CB 0.574 32.279 31.700 0.008 0.000 0.864 425 R N 1.175 121.697 120.500 0.036 0.000 3.405 425 R HA -0.229 4.112 4.340 0.001 0.000 0.258 425 R C 1.165 177.529 176.300 0.106 0.000 1.030 425 R CA 0.454 56.590 56.100 0.060 0.000 0.691 425 R CB -2.498 27.825 30.300 0.038 0.000 1.093 425 R HN 0.612 nan 8.270 nan 0.000 0.448 426 A N 0.346 123.242 122.820 0.126 0.000 1.930 426 A HA 0.065 4.386 4.320 0.001 0.000 0.217 426 A C 1.084 178.841 177.584 0.289 0.000 1.175 426 A CA 0.978 53.136 52.037 0.202 0.000 0.627 426 A CB 0.245 19.346 19.000 0.169 0.000 0.815 426 A HN 0.384 nan 8.150 nan 0.000 0.443 427 I N -1.522 119.175 120.570 0.213 0.000 2.647 427 I HA 0.556 4.727 4.170 0.001 0.000 0.295 427 I C -0.358 175.879 176.117 0.200 0.000 1.078 427 I CA -0.796 60.645 61.300 0.235 0.000 1.048 427 I CB 2.255 40.346 38.000 0.152 0.000 1.239 427 I HN 0.109 nan 8.210 nan 0.000 0.421 428 A N 5.459 128.426 122.820 0.245 0.000 2.303 428 A HA 0.796 5.117 4.320 0.001 0.000 0.320 428 A C -0.881 176.861 177.584 0.262 0.000 1.192 428 A CA -0.507 51.694 52.037 0.274 0.000 0.821 428 A CB 1.262 20.461 19.000 0.332 0.000 1.188 428 A HN 0.421 nan 8.150 nan 0.000 0.492 429 V N 3.362 123.390 119.914 0.191 0.000 2.448 429 V HA 0.740 4.860 4.120 0.001 0.000 0.295 429 V C -0.952 175.198 176.094 0.094 0.000 1.025 429 V CA -0.275 61.994 62.300 -0.051 0.000 0.859 429 V CB 0.570 32.223 31.823 -0.283 0.000 0.988 429 V HN 0.873 nan 8.190 nan 0.000 0.431 430 F N 1.203 121.039 119.950 -0.191 0.000 2.635 430 F HA 0.664 5.192 4.527 0.001 0.000 0.314 430 F C -0.756 174.977 175.800 -0.111 0.000 1.119 430 F CA -1.083 56.879 58.000 -0.063 0.000 1.000 430 F CB 1.335 40.345 39.000 0.017 0.000 1.278 430 F HN 0.467 nan 8.300 nan 0.000 0.446 431 E N 3.002 123.302 120.200 0.166 0.000 2.313 431 E HA 0.636 4.987 4.350 0.001 0.000 0.272 431 E C -0.850 175.861 176.600 0.186 0.000 1.038 431 E CA -0.819 55.623 56.400 0.070 0.000 0.863 431 E CB 1.233 31.091 29.700 0.262 0.000 1.060 431 E HN 0.868 nan 8.360 nan 0.000 0.402 432 R N 2.591 123.161 120.500 0.117 0.000 2.707 432 R HA 0.220 4.561 4.340 0.001 0.000 0.272 432 R C -1.533 174.844 176.300 0.129 0.000 1.011 432 R CA -0.956 55.242 56.100 0.163 0.000 0.893 432 R CB 0.497 30.902 30.300 0.175 0.000 1.233 432 R HN 0.518 nan 8.270 nan 0.000 0.464 433 Y N 1.716 122.046 120.300 0.051 0.000 2.402 433 Y HA 0.428 4.978 4.550 0.001 0.000 0.333 433 Y C -0.446 175.450 175.900 -0.007 0.000 1.076 433 Y CA 0.197 58.312 58.100 0.025 0.000 1.299 433 Y CB 1.180 39.651 38.460 0.017 0.000 1.197 433 Y HN 0.820 nan 8.280 nan 0.000 0.517 434 A N 5.777 128.162 122.820 -0.724 0.000 3.105 434 A HA 0.610 4.930 4.320 0.001 0.000 0.297 434 A C 0.697 177.886 177.584 -0.659 0.000 0.977 434 A CA 0.057 51.762 52.037 -0.553 0.000 1.020 434 A CB -0.853 17.949 19.000 -0.330 0.000 1.098 434 A HN 1.700 nan 8.150 nan 0.000 0.497 435 G N 1.015 109.116 108.800 -1.165 0.000 2.750 435 G HA2 -0.151 3.810 3.960 0.001 0.000 0.228 435 G HA3 -0.151 3.810 3.960 0.001 0.000 0.228 435 G C -2.818 171.851 174.900 -0.384 0.000 1.367 435 G CA -0.323 44.454 45.100 -0.539 0.000 0.871 435 G HN 0.589 nan 8.290 nan 0.000 0.560 436 P HA 0.292 nan 4.420 nan 0.000 0.281 436 P C 0.439 177.676 177.300 -0.105 0.000 1.252 436 P CA 0.025 63.079 63.100 -0.077 0.000 0.778 436 P CB 1.806 33.502 31.700 -0.006 0.000 0.895 437 E N 4.365 124.468 120.200 -0.161 0.000 2.077 437 E HA -0.161 4.190 4.350 0.001 0.000 0.193 437 E C -0.004 176.595 176.600 -0.002 0.000 0.989 437 E CA 1.806 58.130 56.400 -0.126 0.000 0.800 437 E CB -0.394 29.166 29.700 -0.232 0.000 0.746 437 E HN 0.589 nan 8.360 nan 0.000 0.452 438 Y N -2.931 117.372 120.300 0.005 0.000 2.641 438 Y HA 0.637 5.187 4.550 0.001 0.000 0.333 438 Y C -1.273 174.643 175.900 0.027 0.000 1.174 438 Y CA -1.742 56.365 58.100 0.011 0.000 1.057 438 Y CB 0.673 39.135 38.460 0.003 0.000 1.322 438 Y HN -0.118 nan 8.280 nan 0.000 0.457 439 K N 1.534 122.141 120.400 0.345 0.000 2.572 439 K HA 0.509 4.829 4.320 0.001 0.000 0.263 439 K C -2.663 174.086 176.600 0.248 0.000 0.932 439 K CA -0.775 55.664 56.287 0.253 0.000 0.838 439 K CB 1.941 34.517 32.500 0.128 0.000 1.366 439 K HN 1.049 nan 8.250 nan 0.000 0.425 440 H N 2.215 121.344 119.070 0.098 0.000 3.181 440 H HA 0.222 4.778 4.556 0.001 0.000 0.331 440 H C -1.710 173.641 175.328 0.038 0.000 0.988 440 H CA -0.313 55.763 56.048 0.048 0.000 1.449 440 H CB 1.682 31.455 29.762 0.018 0.000 1.749 440 H HN 0.541 nan 8.280 nan 0.000 0.501 441 Q N 3.681 123.206 119.800 -0.460 0.000 2.673 441 Q HA 0.213 4.554 4.340 0.001 0.000 0.224 441 Q C -0.655 175.019 176.000 -0.543 0.000 1.226 441 Q CA -0.650 54.931 55.803 -0.370 0.000 1.019 441 Q CB 0.305 28.947 28.738 -0.161 0.000 1.312 441 Q HN 0.599 nan 8.270 nan 0.000 0.566 442 E N 2.834 122.659 120.200 -0.625 0.000 2.415 442 E HA -0.004 4.347 4.350 0.001 0.000 0.263 442 E C -0.491 176.026 176.600 -0.138 0.000 0.995 442 E CA 0.045 56.253 56.400 -0.320 0.000 0.915 442 E CB 0.452 30.108 29.700 -0.073 0.000 0.951 442 E HN 0.741 nan 8.360 nan 0.000 0.449 443 M N 4.562 124.120 119.600 -0.070 0.000 2.260 443 M HA 0.106 4.587 4.480 0.001 0.000 0.348 443 M C 1.006 177.290 176.300 -0.027 0.000 1.342 443 M CA 1.716 56.992 55.300 -0.040 0.000 1.040 443 M CB -0.120 32.471 32.600 -0.015 0.000 1.810 443 M HN 0.836 nan 8.290 nan 0.000 0.453 444 G N 2.619 111.403 108.800 -0.026 0.000 2.189 444 G HA2 -0.207 3.753 3.960 0.001 0.000 0.267 444 G HA3 -0.207 3.753 3.960 0.001 0.000 0.267 444 G C -0.117 174.772 174.900 -0.019 0.000 0.975 444 G CA 0.222 45.311 45.100 -0.018 0.000 0.644 444 G HN 0.654 nan 8.290 nan 0.000 0.537 445 Q N -0.123 119.660 119.800 -0.029 0.000 2.306 445 Q HA 0.559 4.899 4.340 0.001 0.000 0.269 445 Q C -2.563 173.418 176.000 -0.031 0.000 1.053 445 Q CA -1.940 53.848 55.803 -0.026 0.000 0.879 445 Q CB 0.878 29.602 28.738 -0.023 0.000 1.344 445 Q HN 0.159 nan 8.270 nan 0.000 0.464 446 P HA 0.058 nan 4.420 nan 0.000 0.271 446 P C -0.379 176.907 177.300 -0.023 0.000 1.216 446 P CA -0.182 62.909 63.100 -0.016 0.000 0.776 446 P CB 0.459 32.157 31.700 -0.005 0.000 0.881 447 N N 1.940 120.626 118.700 -0.023 0.000 2.453 447 N HA 0.138 4.879 4.740 0.001 0.000 0.253 447 N C -1.142 174.374 175.510 0.009 0.000 1.252 447 N CA 0.111 53.147 53.050 -0.024 0.000 0.917 447 N CB 0.346 38.823 38.487 -0.017 0.000 1.117 447 N HN -0.000 nan 8.380 nan 0.000 0.442 448 V N 2.141 122.075 119.914 0.033 0.000 2.349 448 V HA 0.442 4.563 4.120 0.001 0.000 0.284 448 V C -0.739 175.434 176.094 0.130 0.000 1.014 448 V CA -0.499 61.858 62.300 0.096 0.000 0.826 448 V CB 0.670 32.577 31.823 0.140 0.000 1.009 448 V HN 0.743 nan 8.190 nan 0.000 0.431 449 S N 2.694 118.441 115.700 0.079 0.000 2.540 449 S HA 0.838 5.309 4.470 0.001 0.000 0.275 449 S C -0.261 174.294 174.600 -0.075 0.000 1.123 449 S CA -0.715 57.499 58.200 0.024 0.000 0.907 449 S CB 2.392 65.603 63.200 0.017 0.000 1.081 449 S HN 0.894 nan 8.310 nan 0.000 0.476 450 T N -0.642 113.770 114.554 -0.238 0.000 2.909 450 T HA 0.642 4.992 4.350 0.001 0.000 0.299 450 T C -0.881 173.691 174.700 -0.214 0.000 1.073 450 T CA -1.063 60.864 62.100 -0.289 0.000 0.999 450 T CB 1.367 69.903 68.868 -0.553 0.000 1.098 450 T HN 0.653 nan 8.240 nan 0.000 0.477 451 E N 2.002 122.149 120.200 -0.089 0.000 2.313 451 E HA 0.398 4.748 4.350 0.001 0.000 0.272 451 E C -0.190 176.356 176.600 -0.090 0.000 1.038 451 E CA -1.127 55.265 56.400 -0.013 0.000 0.863 451 E CB 1.411 31.229 29.700 0.197 0.000 1.060 451 E HN 0.702 nan 8.360 nan 0.000 0.402 452 R N 1.701 122.103 120.500 -0.164 0.000 2.349 452 R HA 0.242 4.582 4.340 0.001 0.000 0.299 452 R C -0.747 175.496 176.300 -0.094 0.000 1.027 452 R CA -0.673 55.347 56.100 -0.134 0.000 0.958 452 R CB 0.766 30.966 30.300 -0.167 0.000 1.047 452 R HN 0.459 nan 8.270 nan 0.000 0.468 453 R N 3.147 123.676 120.500 0.049 0.000 2.534 453 R HA 0.302 4.642 4.340 0.001 0.000 0.301 453 R C -1.016 175.447 176.300 0.272 0.000 0.961 453 R CA -0.653 55.555 56.100 0.180 0.000 0.871 453 R CB 1.941 32.437 30.300 0.325 0.000 1.170 453 R HN 0.747 nan 8.270 nan 0.000 0.446 454 E N 2.119 122.367 120.200 0.079 0.000 2.210 454 E HA 0.297 4.648 4.350 0.001 0.000 0.266 454 E C -0.793 175.597 176.600 -0.351 0.000 0.883 454 E CA -1.100 55.239 56.400 -0.101 0.000 0.761 454 E CB 2.518 32.021 29.700 -0.328 0.000 1.156 454 E HN 0.091 nan 8.360 nan 0.000 0.412 455 L N 3.773 124.571 121.223 -0.707 0.000 2.257 455 L HA 0.280 4.620 4.340 0.001 0.000 0.290 455 L C -1.225 175.295 176.870 -0.584 0.000 1.044 455 L CA -0.481 53.770 54.840 -0.983 0.000 0.810 455 L CB 1.059 42.122 42.059 -1.660 0.000 1.193 455 L HN 0.305 nan 8.230 nan 0.000 0.425 456 V N 6.032 125.504 119.914 -0.738 0.000 2.427 456 V HA 0.421 4.541 4.120 0.001 0.000 0.286 456 V C -0.236 175.494 176.094 -0.607 0.000 1.034 456 V CA -0.695 61.166 62.300 -0.732 0.000 0.893 456 V CB 1.726 32.844 31.823 -1.174 0.000 0.982 456 V HN 0.470 nan 8.190 nan 0.000 0.452 457 V N 6.099 125.903 119.914 -0.183 0.000 2.313 457 V HA 0.467 4.587 4.120 0.001 0.000 0.278 457 V C 0.178 176.396 176.094 0.206 0.000 1.017 457 V CA -0.530 61.785 62.300 0.024 0.000 0.823 457 V CB 1.089 33.000 31.823 0.146 0.000 1.010 457 V HN 0.867 nan 8.190 nan 0.000 0.443 458 R N 3.913 124.568 120.500 0.257 0.000 2.445 458 R HA 0.534 4.875 4.340 0.001 0.000 0.308 458 R C -1.748 174.836 176.300 0.475 0.000 0.961 458 R CA -0.603 55.739 56.100 0.403 0.000 0.862 458 R CB 1.594 32.173 30.300 0.466 0.000 1.144 458 R HN 0.649 nan 8.270 nan 0.000 0.447 459 W N 6.776 128.262 121.300 0.310 0.000 2.839 459 W HA 0.519 5.179 4.660 0.001 0.000 0.334 459 W C -1.854 174.848 176.519 0.306 0.000 1.064 459 W CA -0.806 56.708 57.345 0.281 0.000 1.236 459 W CB 1.081 30.712 29.460 0.285 0.000 1.405 459 W HN 0.424 nan 8.180 nan 0.000 0.478 460 I N 5.530 125.890 120.570 -0.349 0.000 2.433 460 I HA 0.379 4.549 4.170 0.001 0.000 0.292 460 I C -0.205 175.507 176.117 -0.675 0.000 1.001 460 I CA -0.912 60.120 61.300 -0.448 0.000 1.119 460 I CB 1.950 39.846 38.000 -0.175 0.000 1.289 460 I HN 0.356 nan 8.210 nan 0.000 0.438 461 S N 3.680 119.015 115.700 -0.608 0.000 2.532 461 S HA 0.584 5.055 4.470 0.001 0.000 0.299 461 S C -0.677 173.849 174.600 -0.124 0.000 1.105 461 S CA -0.328 57.663 58.200 -0.350 0.000 1.018 461 S CB 1.439 64.407 63.200 -0.387 0.000 1.021 461 S HN 0.576 nan 8.310 nan 0.000 0.483 462 T N 4.078 118.592 114.554 -0.068 0.000 2.791 462 T HA 0.473 4.824 4.350 0.001 0.000 0.288 462 T C -0.838 173.864 174.700 0.002 0.000 0.999 462 T CA -0.449 61.605 62.100 -0.077 0.000 0.952 462 T CB 1.111 69.926 68.868 -0.088 0.000 0.938 462 T HN 0.443 nan 8.240 nan 0.000 0.444 463 V N 3.861 123.776 119.914 0.003 0.000 2.304 463 V HA 0.656 4.777 4.120 0.001 0.000 0.278 463 V C 1.141 177.222 176.094 -0.022 0.000 1.018 463 V CA 0.135 62.449 62.300 0.024 0.000 0.814 463 V CB 0.106 31.975 31.823 0.077 0.000 1.021 463 V HN 1.219 nan 8.190 nan 0.000 0.440 464 G N 5.541 114.385 108.800 0.072 0.000 2.595 464 G HA2 -0.289 3.672 3.960 0.001 0.000 0.297 464 G HA3 -0.289 3.672 3.960 0.001 0.000 0.297 464 G C 0.298 175.228 174.900 0.050 0.000 1.181 464 G CA 0.489 45.720 45.100 0.218 0.000 0.963 464 G HN 0.905 nan 8.290 nan 0.000 0.541 468 Y N 1.100 121.245 120.300 -0.258 0.000 2.360 468 Y HA 0.556 5.106 4.550 0.001 0.000 0.337 468 Y C 0.637 176.233 175.900 -0.507 0.000 1.039 468 Y CA -0.560 57.310 58.100 -0.383 0.000 1.109 468 Y CB 1.470 39.829 38.460 -0.167 0.000 1.201 468 Y HN 0.220 nan 8.280 nan 0.000 0.458 469 I N 4.261 124.497 120.570 -0.556 0.000 2.406 469 I HA 0.368 4.539 4.170 0.001 0.000 0.290 469 I C -1.309 174.467 176.117 -0.569 0.000 0.999 469 I CA -0.631 60.406 61.300 -0.440 0.000 1.124 469 I CB 1.184 38.954 38.000 -0.382 0.000 1.289 469 I HN 0.352 nan 8.210 nan 0.000 0.441 470 F N 3.558 123.600 119.950 0.153 0.000 2.449 470 F HA 0.415 4.943 4.527 0.001 0.000 0.342 470 F C -0.256 175.729 175.800 0.308 0.000 1.127 470 F CA -0.694 57.466 58.000 0.267 0.000 0.975 470 F CB 1.430 40.756 39.000 0.543 0.000 1.146 470 F HN 0.337 nan 8.300 nan 0.000 0.444 471 D N 2.675 123.230 120.400 0.258 0.000 2.344 471 D HA 0.227 4.867 4.640 0.001 0.000 0.239 471 D C -1.299 174.886 176.300 -0.192 0.000 1.064 471 D CA -0.256 53.822 54.000 0.130 0.000 0.829 471 D CB 1.119 41.957 40.800 0.063 0.000 1.129 471 D HN 0.334 nan 8.370 nan 0.000 0.506 472 W N 3.166 124.402 121.300 -0.107 0.000 2.288 472 W HA 0.437 5.098 4.660 0.001 0.000 0.325 472 W C 0.016 176.284 176.519 -0.418 0.000 1.019 472 W CA -0.617 56.541 57.345 -0.312 0.000 1.403 472 W CB 0.328 29.626 29.460 -0.269 0.000 1.226 472 W HN 0.167 nan 8.180 nan 0.000 0.391 473 I N 4.464 124.799 120.570 -0.392 0.000 2.291 473 I HA 0.216 4.386 4.170 0.001 0.000 0.290 473 I C -0.675 175.208 176.117 -0.390 0.000 1.050 473 I CA -0.751 60.352 61.300 -0.329 0.000 1.245 473 I CB 0.104 37.969 38.000 -0.224 0.000 1.405 473 I HN 0.085 nan 8.210 nan 0.000 0.478 474 F N 4.920 124.669 119.950 -0.336 0.000 2.375 474 F HA 0.308 4.835 4.527 0.001 0.000 0.362 474 F C 0.988 176.860 175.800 0.121 0.000 1.129 474 F CA -0.405 57.377 58.000 -0.363 0.000 1.154 474 F CB -0.044 38.431 39.000 -0.873 0.000 1.205 474 F HN 0.399 nan 8.300 nan 0.000 0.513 475 H N 2.499 121.748 119.070 0.299 0.000 2.683 475 H HA 0.023 4.579 4.556 0.001 0.000 0.339 475 H C 1.135 176.932 175.328 0.782 0.000 1.081 475 H CA -0.195 56.110 56.048 0.429 0.000 1.432 475 H CB 1.318 31.227 29.762 0.246 0.000 1.462 475 H HN 0.725 nan 8.280 nan 0.000 0.557 476 E N 3.010 123.647 120.200 0.727 0.000 2.209 476 E HA -0.207 4.144 4.350 0.001 0.000 0.196 476 E C 1.049 177.871 176.600 0.370 0.000 0.993 476 E CA 1.241 57.938 56.400 0.494 0.000 0.819 476 E CB 0.025 29.826 29.700 0.169 0.000 0.745 476 E HN 0.749 nan 8.360 nan 0.000 0.477 477 N N -1.533 117.364 118.700 0.329 0.000 2.434 477 N HA 0.020 4.760 4.740 0.001 0.000 0.196 477 N C 1.135 176.687 175.510 0.069 0.000 1.183 477 N CA 0.437 53.568 53.050 0.134 0.000 0.849 477 N CB 0.716 39.267 38.487 0.107 0.000 0.992 477 N HN 0.218 nan 8.380 nan 0.000 0.460 478 G N -0.044 108.938 108.800 0.303 0.000 2.254 478 G HA2 -0.266 3.694 3.960 0.001 0.000 0.225 478 G HA3 -0.266 3.694 3.960 0.001 0.000 0.225 478 G C 0.242 175.488 174.900 0.576 0.000 1.003 478 G CA 0.172 45.411 45.100 0.232 0.000 0.622 478 G HN 0.407 nan 8.290 nan 0.000 0.507 479 T N 1.569 116.329 114.554 0.343 0.000 2.926 479 T HA 0.548 4.898 4.350 0.001 0.000 0.307 479 T C 0.380 175.095 174.700 0.026 0.000 1.059 479 T CA 0.571 62.713 62.100 0.070 0.000 1.122 479 T CB 1.198 69.844 68.868 -0.370 0.000 0.972 479 T HN 0.377 nan 8.240 nan 0.000 0.545 480 I N 1.811 122.302 120.570 -0.131 0.000 2.447 480 I HA 0.502 4.673 4.170 0.001 0.000 0.287 480 I C 0.603 176.514 176.117 -0.343 0.000 1.023 480 I CA -0.822 60.289 61.300 -0.314 0.000 1.083 480 I CB 1.944 39.687 38.000 -0.429 0.000 1.245 480 I HN 0.695 nan 8.210 nan 0.000 0.434 481 G N 6.611 115.222 108.800 -0.315 0.000 2.417 481 G HA2 0.837 4.798 3.960 0.001 0.000 0.334 481 G HA3 0.837 4.798 3.960 0.001 0.000 0.334 481 G C -0.872 173.744 174.900 -0.473 0.000 1.150 481 G CA -0.488 44.439 45.100 -0.287 0.000 0.923 481 G HN 0.512 nan 8.290 nan 0.000 0.485 482 I N 1.665 121.913 120.570 -0.537 0.000 2.503 482 I HA 0.250 4.420 4.170 0.001 0.000 0.282 482 I C -1.442 174.355 176.117 -0.533 0.000 1.059 482 I CA -0.750 60.046 61.300 -0.841 0.000 1.081 482 I CB 2.121 39.284 38.000 -1.395 0.000 1.210 482 I HN 0.224 nan 8.210 nan 0.000 0.450 483 D N 5.072 125.279 120.400 -0.322 0.000 2.248 483 D HA 0.717 5.357 4.640 0.001 0.000 0.246 483 D C -0.481 175.831 176.300 0.021 0.000 1.027 483 D CA -0.269 53.707 54.000 -0.039 0.000 0.853 483 D CB 2.424 43.302 40.800 0.130 0.000 1.243 483 D HN 0.547 nan 8.370 nan 0.000 0.462 484 A N 0.983 123.754 122.820 -0.081 0.000 2.330 484 A HA 0.742 5.063 4.320 0.001 0.000 0.313 484 A C 0.128 177.326 177.584 -0.644 0.000 1.124 484 A CA -0.667 51.039 52.037 -0.552 0.000 0.774 484 A CB 1.242 19.616 19.000 -1.043 0.000 1.198 484 A HN 0.488 nan 8.150 nan 0.000 0.465 485 G N 0.578 108.729 108.800 -1.081 0.000 2.416 485 G HA2 0.704 4.664 3.960 0.001 0.000 0.329 485 G HA3 0.704 4.664 3.960 0.001 0.000 0.329 485 G C -0.455 173.923 174.900 -0.871 0.000 1.173 485 G CA 0.049 44.234 45.100 -1.524 0.000 0.929 485 G HN 1.502 nan 8.290 nan 0.000 0.475 486 A N 1.330 123.743 122.820 -0.679 0.000 2.343 486 A HA 0.893 5.213 4.320 0.001 0.000 0.308 486 A C -0.085 177.222 177.584 -0.462 0.000 1.092 486 A CA -0.366 51.398 52.037 -0.456 0.000 0.751 486 A CB 2.051 20.852 19.000 -0.332 0.000 1.203 486 A HN 1.100 nan 8.150 nan 0.000 0.452 487 T N 0.609 114.890 114.554 -0.455 0.000 2.612 487 T HA 0.838 5.189 4.350 0.001 0.000 0.296 487 T C 0.311 174.788 174.700 -0.372 0.000 1.148 487 T CA 0.981 62.867 62.100 -0.356 0.000 1.077 487 T CB 0.844 69.519 68.868 -0.322 0.000 1.591 487 T HN 2.720 nan 8.240 nan 0.000 0.479 488 G N 0.498 109.090 108.800 -0.347 0.000 2.416 488 G HA2 0.068 4.029 3.960 0.001 0.000 0.203 488 G HA3 0.068 4.029 3.960 0.001 0.000 0.203 488 G C -1.503 173.132 174.900 -0.442 0.000 1.227 488 G CA -0.258 44.586 45.100 -0.427 0.000 1.041 488 G HN 0.847 nan 8.290 nan 0.000 0.546 489 I N 1.238 121.472 120.570 -0.561 0.000 2.412 489 I HA 0.446 4.617 4.170 0.001 0.000 0.296 489 I C 0.689 176.610 176.117 -0.327 0.000 0.987 489 I CA -0.743 60.247 61.300 -0.517 0.000 1.180 489 I CB 1.248 38.774 38.000 -0.791 0.000 1.340 489 I HN 0.643 nan 8.210 nan 0.000 0.455 490 E N 3.146 123.349 120.200 0.005 0.000 2.354 490 E HA 0.368 4.718 4.350 0.001 0.000 0.269 490 E C -0.235 176.446 176.600 0.136 0.000 1.036 490 E CA -0.459 56.010 56.400 0.115 0.000 0.876 490 E CB 1.315 31.157 29.700 0.236 0.000 1.009 490 E HN 0.709 nan 8.360 nan 0.000 0.416 491 A N 3.705 126.599 122.820 0.123 0.000 2.395 491 A HA 0.262 4.583 4.320 0.001 0.000 0.286 491 A C 0.081 177.922 177.584 0.428 0.000 1.193 491 A CA -0.471 51.730 52.037 0.273 0.000 0.852 491 A CB -0.353 18.776 19.000 0.214 0.000 1.118 491 A HN 0.379 nan 8.150 nan 0.000 0.524 492 V N 0.684 120.853 119.914 0.425 0.000 2.850 492 V HA 0.706 4.826 4.120 0.001 0.000 0.315 492 V C -0.135 176.258 176.094 0.498 0.000 1.064 492 V CA -1.102 61.373 62.300 0.293 0.000 0.979 492 V CB 1.614 33.395 31.823 -0.069 0.000 1.039 492 V HN 0.816 nan 8.190 nan 0.000 0.452 493 K N 1.980 122.539 120.400 0.266 0.000 2.235 493 K HA 0.646 4.967 4.320 0.001 0.000 0.266 493 K C 0.178 176.863 176.600 0.141 0.000 0.980 493 K CA -0.262 56.204 56.287 0.299 0.000 0.849 493 K CB 1.311 33.772 32.500 -0.066 0.000 1.098 493 K HN 1.198 nan 8.250 nan 0.000 0.445 494 G N 2.860 111.769 108.800 0.183 0.000 2.361 494 G HA2 0.397 4.357 3.960 0.001 0.000 0.260 494 G HA3 0.397 4.357 3.960 0.001 0.000 0.260 494 G C -0.411 174.536 174.900 0.078 0.000 1.261 494 G CA -0.369 44.802 45.100 0.118 0.000 0.897 494 G HN 0.500 nan 8.290 nan 0.000 0.499 495 V N 0.324 120.265 119.914 0.044 0.000 3.102 495 V HA 0.582 4.702 4.120 0.001 0.000 0.312 495 V C 0.853 176.966 176.094 0.031 0.000 1.135 495 V CA -1.140 61.175 62.300 0.026 0.000 1.022 495 V CB 2.147 33.966 31.823 -0.007 0.000 1.056 495 V HN 0.636 nan 8.190 nan 0.000 0.436 496 K N 1.148 121.562 120.400 0.024 0.000 2.116 496 K HA 0.296 4.617 4.320 0.001 0.000 0.203 496 K C 1.070 177.684 176.600 0.023 0.000 1.052 496 K CA 1.224 57.526 56.287 0.025 0.000 0.952 496 K CB -0.006 32.505 32.500 0.019 0.000 0.729 496 K HN 0.956 nan 8.250 nan 0.000 0.446 497 A N 1.724 124.553 122.820 0.014 0.000 2.488 497 A HA 0.033 4.354 4.320 0.001 0.000 0.249 497 A C 0.617 178.227 177.584 0.043 0.000 1.083 497 A CA 0.156 52.203 52.037 0.017 0.000 0.768 497 A CB 0.416 19.415 19.000 -0.002 0.000 1.017 497 A HN 0.170 nan 8.150 nan 0.000 0.496 498 K N 0.094 120.525 120.400 0.053 0.000 2.211 498 K HA 0.054 4.375 4.320 0.001 0.000 0.201 498 K C 0.675 177.412 176.600 0.228 0.000 1.052 498 K CA 1.416 57.768 56.287 0.108 0.000 0.973 498 K CB 0.202 32.661 32.500 -0.068 0.000 0.766 498 K HN 0.926 nan 8.250 nan 0.000 0.466 499 T N -3.422 111.197 114.554 0.108 0.000 2.841 499 T HA 0.239 4.589 4.350 0.001 0.000 0.296 499 T C 0.536 175.206 174.700 -0.050 0.000 1.166 499 T CA -0.862 61.280 62.100 0.070 0.000 1.007 499 T CB 1.195 70.147 68.868 0.140 0.000 1.253 499 T HN -0.268 nan 8.240 nan 0.000 0.511 500 M N 0.628 120.108 119.600 -0.199 0.000 2.700 500 M HA 0.037 4.518 4.480 0.001 0.000 0.249 500 M C 1.004 177.132 176.300 -0.287 0.000 1.082 500 M CA 1.134 56.280 55.300 -0.257 0.000 1.077 500 M CB -1.712 30.711 32.600 -0.295 0.000 1.477 500 M HN 0.749 nan 8.290 nan 0.000 0.529 501 H N -1.078 117.995 119.070 0.006 0.000 2.553 501 H HA 0.105 4.662 4.556 0.001 0.000 0.265 501 H C -0.048 175.279 175.328 -0.003 0.000 0.964 501 H CA -0.309 55.740 56.048 0.001 0.000 1.156 501 H CB 0.299 30.064 29.762 0.005 0.000 1.411 501 H HN 0.196 nan 8.280 nan 0.000 0.558 502 D N 1.120 121.565 120.400 0.075 0.000 2.345 502 D HA -0.058 4.583 4.640 0.001 0.000 0.247 502 D C 1.259 177.571 176.300 0.019 0.000 1.108 502 D CA -0.047 53.980 54.000 0.043 0.000 0.894 502 D CB 0.970 41.788 40.800 0.028 0.000 1.203 502 D HN 0.540 nan 8.370 nan 0.000 0.430 503 E N 0.317 120.527 120.200 0.017 0.000 2.136 503 E HA -0.316 4.035 4.350 0.001 0.000 0.202 503 E C 1.094 177.690 176.600 -0.006 0.000 1.019 503 E CA 1.815 58.218 56.400 0.006 0.000 0.819 503 E CB -0.433 29.271 29.700 0.005 0.000 0.739 503 E HN 0.487 nan 8.360 nan 0.000 0.458 504 T N -2.557 111.993 114.554 -0.007 0.000 3.129 504 T HA 0.450 4.800 4.350 0.001 0.000 0.251 504 T C 1.821 176.503 174.700 -0.031 0.000 1.117 504 T CA 0.317 62.408 62.100 -0.016 0.000 1.034 504 T CB 0.376 69.240 68.868 -0.008 0.000 0.968 504 T HN 0.354 nan 8.240 nan 0.000 0.526 505 A N 2.853 125.653 122.820 -0.033 0.000 1.873 505 A HA -0.171 4.149 4.320 0.001 0.000 0.218 505 A C 2.392 179.930 177.584 -0.076 0.000 1.193 505 A CA 1.918 53.922 52.037 -0.054 0.000 0.629 505 A CB -0.837 18.126 19.000 -0.060 0.000 0.826 505 A HN 0.450 nan 8.150 nan 0.000 0.447 506 K N -0.452 119.904 120.400 -0.073 0.000 2.044 506 K HA -0.236 4.085 4.320 0.001 0.000 0.210 506 K C 1.466 177.993 176.600 -0.121 0.000 1.049 506 K CA 2.180 58.412 56.287 -0.092 0.000 0.927 506 K CB -0.504 31.952 32.500 -0.073 0.000 0.713 506 K HN 0.476 nan 8.250 nan 0.000 0.443 507 D N 0.938 121.278 120.400 -0.100 0.000 2.144 507 D HA -0.122 4.519 4.640 0.001 0.000 0.200 507 D C 1.559 177.784 176.300 -0.125 0.000 0.978 507 D CA 0.935 54.867 54.000 -0.114 0.000 0.833 507 D CB -0.309 40.454 40.800 -0.061 0.000 0.961 507 D HN 0.255 nan 8.370 nan 0.000 0.470 508 D N -0.251 120.095 120.400 -0.090 0.000 2.218 508 D HA -0.093 4.548 4.640 0.001 0.000 0.204 508 D C 1.793 178.020 176.300 -0.121 0.000 0.976 508 D CA 1.236 55.188 54.000 -0.080 0.000 0.853 508 D CB -0.189 40.577 40.800 -0.057 0.000 0.939 508 D HN 0.328 nan 8.370 nan 0.000 0.481 509 T N -2.822 111.640 114.554 -0.152 0.000 3.092 509 T HA 0.169 4.520 4.350 0.001 0.000 0.258 509 T C 1.504 176.056 174.700 -0.246 0.000 1.031 509 T CA -0.458 61.539 62.100 -0.172 0.000 0.925 509 T CB 0.487 69.270 68.868 -0.140 0.000 1.036 509 T HN -0.035 nan 8.240 nan 0.000 0.544 510 R N 0.187 120.457 120.500 -0.383 0.000 2.152 510 R HA -0.063 4.278 4.340 0.001 0.000 0.232 510 R C 0.401 176.278 176.300 -0.704 0.000 1.117 510 R CA 1.317 57.047 56.100 -0.616 0.000 0.981 510 R CB -0.099 29.651 30.300 -0.917 0.000 0.870 510 R HN 0.546 nan 8.270 nan 0.000 0.451 511 Y N -1.663 118.554 120.300 -0.139 0.000 2.612 511 Y HA 0.478 5.029 4.550 0.001 0.000 0.250 511 Y C 0.535 176.317 175.900 -0.196 0.000 1.175 511 Y CA 0.033 58.035 58.100 -0.163 0.000 1.205 511 Y CB 1.524 39.870 38.460 -0.190 0.000 1.201 511 Y HN 0.114 nan 8.280 nan 0.000 0.532 512 G N -0.895 107.843 108.800 -0.105 0.000 2.368 512 G HA2 0.358 4.319 3.960 0.001 0.000 0.293 512 G HA3 0.358 4.319 3.960 0.001 0.000 0.293 512 G C -1.266 173.551 174.900 -0.138 0.000 1.467 512 G CA -0.936 44.085 45.100 -0.132 0.000 0.804 512 G HN -0.199 nan 8.290 nan 0.000 0.535 513 T N 0.721 115.196 114.554 -0.132 0.000 2.897 513 T HA 0.383 4.734 4.350 0.001 0.000 0.294 513 T C 0.254 174.874 174.700 -0.132 0.000 1.004 513 T CA -0.201 61.829 62.100 -0.117 0.000 1.106 513 T CB 1.518 70.331 68.868 -0.091 0.000 0.949 513 T HN 0.601 nan 8.240 nan 0.000 0.520 514 L N 5.451 126.602 121.223 -0.121 0.000 2.462 514 L HA 0.301 4.642 4.340 0.001 0.000 0.283 514 L C 1.034 177.821 176.870 -0.139 0.000 1.166 514 L CA 0.022 54.785 54.840 -0.129 0.000 0.964 514 L CB -0.715 41.285 42.059 -0.099 0.000 1.294 514 L HN 0.722 nan 8.230 nan 0.000 0.449 515 I N -0.407 120.045 120.570 -0.198 0.000 3.578 515 I HA 0.354 4.524 4.170 0.001 0.000 0.295 515 I C -0.033 175.944 176.117 -0.234 0.000 1.280 515 I CA 0.188 61.374 61.300 -0.189 0.000 1.347 515 I CB -0.004 37.880 38.000 -0.193 0.000 1.051 515 I HN 0.470 nan 8.210 nan 0.000 0.460 516 D N -0.436 119.791 120.400 -0.287 0.000 2.710 516 D HA 0.198 4.839 4.640 0.001 0.000 0.276 516 D C -0.916 175.280 176.300 -0.172 0.000 1.267 516 D CA -0.528 53.316 54.000 -0.260 0.000 0.772 516 D CB 1.159 41.797 40.800 -0.268 0.000 1.299 516 D HN -0.001 nan 8.370 nan 0.000 0.421 517 H N 1.583 120.659 119.070 0.009 0.000 3.107 517 H HA 0.131 4.688 4.556 0.001 0.000 0.301 517 H C 0.458 175.788 175.328 0.004 0.000 0.981 517 H CA 1.057 57.114 56.048 0.016 0.000 1.443 517 H CB -0.320 29.474 29.762 0.054 0.000 1.479 517 H HN 0.458 nan 8.280 nan 0.000 0.564 518 N N 0.754 119.521 118.700 0.111 0.000 2.753 518 N HA -0.195 4.545 4.740 0.001 0.000 0.251 518 N C -0.822 174.690 175.510 0.003 0.000 1.097 518 N CA 0.788 53.873 53.050 0.059 0.000 0.786 518 N CB -0.973 37.570 38.487 0.093 0.000 1.137 518 N HN 0.523 nan 8.380 nan 0.000 0.566 519 I N 0.329 120.850 120.570 -0.082 0.000 2.499 519 I HA 0.414 4.584 4.170 0.001 0.000 0.288 519 I C -0.530 175.431 176.117 -0.260 0.000 1.048 519 I CA -0.984 60.191 61.300 -0.209 0.000 1.062 519 I CB 2.000 39.752 38.000 -0.412 0.000 1.238 519 I HN -0.259 nan 8.210 nan 0.000 0.426 520 V N 4.711 124.497 119.914 -0.212 0.000 2.444 520 V HA 0.433 4.554 4.120 0.001 0.000 0.294 520 V C 0.611 176.577 176.094 -0.213 0.000 1.022 520 V CA -0.569 61.608 62.300 -0.206 0.000 0.850 520 V CB 1.797 33.521 31.823 -0.166 0.000 0.992 520 V HN 0.897 nan 8.190 nan 0.000 0.426 521 G N 2.997 111.672 108.800 -0.209 0.000 2.741 521 G HA2 0.267 4.228 3.960 0.001 0.000 0.301 521 G HA3 0.267 4.228 3.960 0.001 0.000 0.301 521 G C 0.394 175.216 174.900 -0.130 0.000 0.834 521 G CA -0.107 44.905 45.100 -0.146 0.000 1.683 521 G HN 0.649 nan 8.290 nan 0.000 0.506 522 T N 2.290 116.754 114.554 -0.149 0.000 2.891 522 T HA 0.043 4.393 4.350 0.001 0.000 0.296 522 T C 1.178 175.895 174.700 0.028 0.000 1.025 522 T CA 0.486 62.471 62.100 -0.191 0.000 1.149 522 T CB 0.395 68.905 68.868 -0.596 0.000 1.007 522 T HN 0.414 nan 8.240 nan 0.000 0.528 523 T N 5.435 119.946 114.554 -0.072 0.000 2.940 523 T HA 0.257 4.608 4.350 0.001 0.000 0.309 523 T C 0.312 174.907 174.700 -0.175 0.000 1.056 523 T CA -0.136 61.863 62.100 -0.168 0.000 1.137 523 T CB 0.020 68.789 68.868 -0.165 0.000 0.976 523 T HN 0.867 nan 8.240 nan 0.000 0.547 524 H N -0.008 118.778 119.070 -0.474 0.000 2.863 524 H HA 0.474 5.031 4.556 0.001 0.000 0.274 524 H C -1.488 173.526 175.328 -0.523 0.000 1.457 524 H CA -1.115 54.532 56.048 -0.668 0.000 1.151 524 H CB 0.976 29.887 29.762 -1.418 0.000 1.844 524 H HN 0.564 nan 8.280 nan 0.000 0.562 525 Q N 0.114 119.612 119.800 -0.503 0.000 2.456 525 Q HA 0.380 4.720 4.340 0.001 0.000 0.283 525 Q C -1.200 174.523 176.000 -0.462 0.000 1.084 525 Q CA -0.973 54.573 55.803 -0.428 0.000 0.801 525 Q CB 3.009 31.578 28.738 -0.283 0.000 1.434 525 Q HN 0.498 nan 8.270 nan 0.000 0.419 526 H N 1.483 120.484 119.070 -0.114 0.000 2.638 526 H HA 0.452 5.009 4.556 0.001 0.000 0.317 526 H C -0.814 174.256 175.328 -0.431 0.000 1.006 526 H CA -0.286 55.617 56.048 -0.242 0.000 1.222 526 H CB 0.771 30.438 29.762 -0.157 0.000 1.419 526 H HN 0.461 nan 8.280 nan 0.000 0.489 527 I N 4.932 125.308 120.570 -0.324 0.000 2.390 527 I HA 0.157 4.327 4.170 0.001 0.000 0.283 527 I C -0.710 175.287 176.117 -0.200 0.000 1.016 527 I CA -0.707 60.472 61.300 -0.202 0.000 1.151 527 I CB 0.605 38.581 38.000 -0.040 0.000 1.293 527 I HN 0.339 nan 8.210 nan 0.000 0.458 528 Y N 4.402 124.782 120.300 0.133 0.000 2.334 528 Y HA 0.415 4.966 4.550 0.001 0.000 0.328 528 Y C 0.239 176.095 175.900 -0.075 0.000 1.130 528 Y CA -0.764 57.329 58.100 -0.012 0.000 1.163 528 Y CB 0.977 39.416 38.460 -0.035 0.000 1.207 528 Y HN 0.501 nan 8.280 nan 0.000 0.471 529 N N 1.472 120.099 118.700 -0.122 0.000 2.296 529 N HA 0.543 5.284 4.740 0.001 0.000 0.294 529 N C -2.125 173.164 175.510 -0.368 0.000 1.033 529 N CA -0.518 52.482 53.050 -0.083 0.000 0.839 529 N CB 0.895 39.398 38.487 0.026 0.000 1.395 529 N HN 0.352 nan 8.380 nan 0.000 0.479 530 F N 1.323 121.391 119.950 0.198 0.000 2.467 530 F HA 0.455 4.982 4.527 0.001 0.000 0.336 530 F C 0.588 176.392 175.800 0.007 0.000 1.123 530 F CA -0.820 57.244 58.000 0.106 0.000 0.964 530 F CB 1.592 40.624 39.000 0.054 0.000 1.136 530 F HN 0.296 nan 8.300 nan 0.000 0.447 531 R N 4.860 125.366 120.500 0.010 0.000 2.198 531 R HA 0.602 4.943 4.340 0.001 0.000 0.339 531 R C -1.738 174.387 176.300 -0.291 0.000 1.020 531 R CA -0.325 55.480 56.100 -0.492 0.000 0.864 531 R CB 0.270 30.105 30.300 -0.775 0.000 1.105 531 R HN 0.793 nan 8.270 nan 0.000 0.463 532 L N 4.521 125.559 121.223 -0.308 0.000 2.353 532 L HA 0.258 4.598 4.340 0.001 0.000 0.270 532 L C -0.504 176.267 176.870 -0.164 0.000 1.003 532 L CA -0.834 53.916 54.840 -0.149 0.000 0.862 532 L CB 1.644 43.673 42.059 -0.049 0.000 1.221 532 L HN 0.536 nan 8.230 nan 0.000 0.430 533 D N 4.580 124.900 120.400 -0.133 0.000 2.508 533 D HA 0.211 4.852 4.640 0.001 0.000 0.224 533 D C -0.193 176.120 176.300 0.022 0.000 1.171 533 D CA -0.006 53.965 54.000 -0.047 0.000 1.006 533 D CB 0.218 41.024 40.800 0.009 0.000 1.073 533 D HN 0.318 nan 8.370 nan 0.000 0.513 534 L N 2.258 123.488 121.223 0.011 0.000 2.331 534 L HA 0.275 4.615 4.340 0.001 0.000 0.278 534 L C 0.207 177.127 176.870 0.082 0.000 1.106 534 L CA -0.317 54.541 54.840 0.030 0.000 0.824 534 L CB 0.876 42.920 42.059 -0.025 0.000 1.142 534 L HN 0.080 nan 8.230 nan 0.000 0.443 535 D N 2.586 123.070 120.400 0.140 0.000 2.483 535 D HA 0.152 4.793 4.640 0.001 0.000 0.281 535 D C -0.224 176.149 176.300 0.121 0.000 1.174 535 D CA -0.247 53.836 54.000 0.139 0.000 0.938 535 D CB 1.303 42.239 40.800 0.228 0.000 1.002 535 D HN 0.072 nan 8.370 nan 0.000 0.501 536 V N 2.358 122.353 119.914 0.135 0.000 2.459 536 V HA -0.073 4.047 4.120 0.001 0.000 0.255 536 V C 0.967 177.199 176.094 0.230 0.000 1.015 536 V CA 0.309 62.765 62.300 0.260 0.000 1.163 536 V CB -0.504 31.495 31.823 0.292 0.000 1.109 536 V HN 0.534 nan 8.190 nan 0.000 0.473 537 D N 3.060 123.610 120.400 0.251 0.000 2.911 537 D HA -0.126 4.515 4.640 0.001 0.000 0.227 537 D C 0.338 176.605 176.300 -0.056 0.000 1.164 537 D CA 1.782 55.810 54.000 0.046 0.000 0.782 537 D CB -1.023 39.679 40.800 -0.165 0.000 1.094 537 D HN 1.233 nan 8.370 nan 0.000 0.425 538 G N -1.314 107.451 108.800 -0.059 0.000 2.345 538 G HA2 0.166 4.127 3.960 0.001 0.000 0.310 538 G HA3 0.166 4.127 3.960 0.001 0.000 0.310 538 G C 0.077 174.947 174.900 -0.051 0.000 1.476 538 G CA 0.266 45.306 45.100 -0.100 0.000 0.978 538 G HN 0.096 nan 8.290 nan 0.000 0.656 539 E N -0.172 119.991 120.200 -0.062 0.000 2.031 539 E HA -0.095 4.256 4.350 0.001 0.000 0.193 539 E C 0.478 177.080 176.600 0.003 0.000 0.994 539 E CA 0.769 57.155 56.400 -0.022 0.000 0.800 539 E CB -0.109 29.572 29.700 -0.032 0.000 0.752 539 E HN 0.417 nan 8.360 nan 0.000 0.447 540 N N 2.367 121.068 118.700 0.001 0.000 2.405 540 N HA 0.077 4.818 4.740 0.001 0.000 0.260 540 N C -0.781 174.744 175.510 0.024 0.000 1.152 540 N CA 0.207 53.267 53.050 0.016 0.000 0.948 540 N CB 0.639 39.132 38.487 0.011 0.000 1.111 540 N HN 0.187 nan 8.380 nan 0.000 0.485 541 N N 0.186 118.909 118.700 0.038 0.000 2.577 541 N HA 0.447 5.188 4.740 0.001 0.000 0.285 541 N C -0.804 174.735 175.510 0.048 0.000 1.309 541 N CA -0.462 52.615 53.050 0.047 0.000 0.798 541 N CB 1.494 40.019 38.487 0.063 0.000 1.463 541 N HN 0.194 nan 8.380 nan 0.000 0.518 542 S N 0.326 116.054 115.700 0.046 0.000 2.541 542 S HA 0.412 4.883 4.470 0.001 0.000 0.280 542 S C -1.109 173.513 174.600 0.036 0.000 1.112 542 S CA -0.578 57.647 58.200 0.043 0.000 0.925 542 S CB 1.901 65.121 63.200 0.033 0.000 1.067 542 S HN 0.421 nan 8.310 nan 0.000 0.479 543 L N 3.786 125.032 121.223 0.039 0.000 2.281 543 L HA 0.609 4.949 4.340 0.001 0.000 0.285 543 L C -1.074 175.786 176.870 -0.016 0.000 1.074 543 L CA 0.092 54.947 54.840 0.025 0.000 0.817 543 L CB 0.451 42.541 42.059 0.052 0.000 1.168 543 L HN 0.456 nan 8.230 nan 0.000 0.434 544 V N 4.861 124.734 119.914 -0.068 0.000 2.555 544 V HA 0.830 4.951 4.120 0.001 0.000 0.302 544 V C 0.096 176.038 176.094 -0.253 0.000 1.038 544 V CA -0.581 61.631 62.300 -0.146 0.000 0.887 544 V CB 1.439 33.179 31.823 -0.138 0.000 0.991 544 V HN 0.945 nan 8.190 nan 0.000 0.434 545 A N 5.726 128.275 122.820 -0.451 0.000 2.317 545 A HA 0.916 5.236 4.320 0.001 0.000 0.327 545 A C -0.497 176.736 177.584 -0.586 0.000 1.178 545 A CA -0.575 51.098 52.037 -0.606 0.000 0.817 545 A CB 0.963 19.348 19.000 -1.026 0.000 1.189 545 A HN 0.826 nan 8.150 nan 0.000 0.489 546 M N 2.888 122.265 119.600 -0.371 0.000 2.022 546 M HA 0.238 4.718 4.480 0.001 0.000 0.298 546 M C -1.572 174.644 176.300 -0.140 0.000 0.909 546 M CA -0.525 54.629 55.300 -0.243 0.000 0.914 546 M CB 1.541 33.995 32.600 -0.245 0.000 1.486 546 M HN 0.556 nan 8.290 nan 0.000 0.415 547 D N 5.099 125.462 120.400 -0.062 0.000 2.396 547 D HA 0.338 4.979 4.640 0.001 0.000 0.225 547 D C -2.423 173.886 176.300 0.015 0.000 1.121 547 D CA -1.466 52.534 54.000 -0.001 0.000 0.853 547 D CB 1.111 41.959 40.800 0.080 0.000 1.043 547 D HN 0.141 nan 8.370 nan 0.000 0.500 548 P HA -0.003 nan 4.420 nan 0.000 0.265 548 P C -0.427 176.885 177.300 0.019 0.000 1.222 548 P CA -0.150 62.962 63.100 0.019 0.000 0.767 548 P CB 0.680 32.392 31.700 0.020 0.000 0.801 549 V N 1.769 121.697 119.914 0.024 0.000 3.001 549 V HA 0.549 4.669 4.120 0.001 0.000 0.314 549 V C -0.451 175.654 176.094 0.018 0.000 1.099 549 V CA -1.068 61.245 62.300 0.021 0.000 0.989 549 V CB 2.389 34.227 31.823 0.026 0.000 1.040 549 V HN 0.043 nan 8.190 nan 0.000 0.434 550 V N 3.863 123.786 119.914 0.014 0.000 2.320 550 V HA 0.438 4.558 4.120 0.001 0.000 0.265 550 V C 0.206 176.306 176.094 0.011 0.000 1.048 550 V CA -0.439 61.868 62.300 0.012 0.000 0.865 550 V CB 0.499 32.327 31.823 0.009 0.000 1.043 550 V HN 0.850 nan 8.190 nan 0.000 0.474 551 K N 6.723 127.131 120.400 0.012 0.000 2.159 551 K HA 0.475 4.795 4.320 0.001 0.000 0.266 551 K C -2.563 174.043 176.600 0.009 0.000 0.975 551 K CA -2.152 54.142 56.287 0.011 0.000 0.865 551 K CB 2.092 34.601 32.500 0.014 0.000 1.087 551 K HN 0.292 nan 8.250 nan 0.000 0.446 552 P HA -0.064 nan 4.420 nan 0.000 0.268 552 P C -0.431 176.873 177.300 0.006 0.000 1.205 552 P CA -0.000 63.103 63.100 0.006 0.000 0.771 552 P CB 0.473 32.176 31.700 0.004 0.000 0.858 553 N N 1.753 120.457 118.700 0.006 0.000 2.452 553 N HA 0.055 4.795 4.740 0.001 0.000 0.266 553 N C 0.737 176.250 175.510 0.005 0.000 1.175 553 N CA -0.077 52.976 53.050 0.006 0.000 0.945 553 N CB 0.364 38.854 38.487 0.005 0.000 1.063 553 N HN 0.395 nan 8.380 nan 0.000 0.472 554 T N -0.048 114.509 114.554 0.005 0.000 3.091 554 T HA 0.261 4.612 4.350 0.001 0.000 0.277 554 T C 1.051 175.754 174.700 0.004 0.000 0.996 554 T CA -0.183 61.919 62.100 0.005 0.000 0.897 554 T CB 0.471 69.342 68.868 0.005 0.000 1.109 554 T HN 0.402 nan 8.240 nan 0.000 0.534 555 A N 1.011 123.834 122.820 0.005 0.000 2.275 555 A HA 0.718 5.039 4.320 0.001 0.000 0.212 555 A C 1.445 179.032 177.584 0.003 0.000 1.201 555 A CA 0.285 52.325 52.037 0.004 0.000 0.843 555 A CB -0.774 18.229 19.000 0.005 0.000 0.873 555 A HN 1.466 nan 8.150 nan 0.000 0.492 556 G N -2.362 106.440 108.800 0.003 0.000 2.712 556 G HA2 0.492 4.453 3.960 0.001 0.000 0.683 556 G HA3 0.492 4.453 3.960 0.001 0.000 0.683 556 G C 0.615 175.517 174.900 0.003 0.000 1.320 556 G CA -0.172 44.929 45.100 0.003 0.000 0.847 556 G HN 2.484 nan 8.290 nan 0.000 0.553 557 G N -1.077 107.724 108.800 0.002 0.000 2.655 557 G HA2 0.318 4.278 3.960 0.001 0.000 0.680 557 G HA3 0.318 4.278 3.960 0.001 0.000 0.680 557 G C -0.935 173.967 174.900 0.002 0.000 1.302 557 G CA 0.484 45.586 45.100 0.002 0.000 0.872 557 G HN 1.344 nan 8.290 nan 0.000 0.540 558 P HA 0.059 nan 4.420 nan 0.000 0.222 558 P C 0.886 178.187 177.300 0.003 0.000 1.147 558 P CA 0.509 63.611 63.100 0.002 0.000 0.790 558 P CB 0.111 31.813 31.700 0.002 0.000 0.780 559 R N 0.183 120.685 120.500 0.003 0.000 2.489 559 R HA 0.070 4.411 4.340 0.001 0.000 0.287 559 R C 1.447 177.749 176.300 0.004 0.000 1.053 559 R CA 0.745 56.847 56.100 0.004 0.000 1.036 559 R CB -0.144 30.159 30.300 0.004 0.000 0.966 559 R HN 0.218 nan 8.270 nan 0.000 0.432 560 T N -2.152 112.405 114.554 0.004 0.000 3.035 560 T HA 0.005 4.355 4.350 0.001 0.000 0.259 560 T C 0.892 175.594 174.700 0.005 0.000 1.078 560 T CA 0.437 62.539 62.100 0.004 0.000 1.132 560 T CB 0.188 69.058 68.868 0.003 0.000 0.900 560 T HN 0.543 nan 8.240 nan 0.000 0.480 561 S N 0.694 116.397 115.700 0.005 0.000 2.661 561 S HA 0.733 5.204 4.470 0.001 0.000 0.285 561 S C -0.607 173.997 174.600 0.008 0.000 1.138 561 S CA -0.483 57.721 58.200 0.007 0.000 0.855 561 S CB 1.986 65.191 63.200 0.007 0.000 1.136 561 S HN 0.698 nan 8.310 nan 0.000 0.484 562 T N -1.729 112.831 114.554 0.009 0.000 2.883 562 T HA 0.658 5.009 4.350 0.001 0.000 0.296 562 T C -0.767 173.941 174.700 0.014 0.000 1.117 562 T CA -0.947 61.160 62.100 0.011 0.000 1.006 562 T CB 1.223 70.097 68.868 0.011 0.000 1.191 562 T HN 0.653 nan 8.240 nan 0.000 0.508 563 M N 2.434 122.043 119.600 0.016 0.000 2.055 563 M HA 0.375 4.856 4.480 0.001 0.000 0.347 563 M C -0.150 176.165 176.300 0.024 0.000 1.123 563 M CA -0.406 54.906 55.300 0.020 0.000 1.035 563 M CB 0.989 33.601 32.600 0.021 0.000 1.484 563 M HN 0.610 nan 8.290 nan 0.000 0.428 564 Q N 1.455 121.270 119.800 0.026 0.000 2.572 564 Q HA 0.798 5.138 4.340 0.001 0.000 0.284 564 Q C -1.138 174.883 176.000 0.035 0.000 1.091 564 Q CA -1.142 54.679 55.803 0.030 0.000 0.840 564 Q CB 3.176 31.931 28.738 0.027 0.000 1.433 564 Q HN 0.442 nan 8.270 nan 0.000 0.471 565 V N 2.370 122.308 119.914 0.040 0.000 2.482 565 V HA 0.244 4.365 4.120 0.001 0.000 0.295 565 V C -0.937 175.186 176.094 0.049 0.000 1.026 565 V CA -0.949 61.376 62.300 0.041 0.000 0.856 565 V CB 1.576 33.424 31.823 0.042 0.000 1.001 565 V HN 0.768 nan 8.190 nan 0.000 0.424 566 N N 4.924 123.665 118.700 0.069 0.000 2.414 566 N HA 0.260 5.001 4.740 0.001 0.000 0.256 566 N C -0.547 175.048 175.510 0.143 0.000 1.029 566 N CA -0.538 52.581 53.050 0.115 0.000 0.948 566 N CB 2.241 40.808 38.487 0.133 0.000 1.102 566 N HN 0.787 nan 8.380 nan 0.000 0.496 567 Q N 2.564 122.422 119.800 0.097 0.000 2.235 567 Q HA 0.383 4.723 4.340 0.001 0.000 0.256 567 Q C -1.663 174.405 176.000 0.113 0.000 0.951 567 Q CA -0.694 55.098 55.803 -0.019 0.000 0.890 567 Q CB 0.957 29.674 28.738 -0.035 0.000 1.279 567 Q HN 0.717 nan 8.270 nan 0.000 0.444 568 Y N -0.539 119.753 120.300 -0.013 0.000 2.638 568 Y HA 0.420 4.971 4.550 0.001 0.000 0.334 568 Y C -1.782 174.114 175.900 -0.006 0.000 1.182 568 Y CA -1.430 56.666 58.100 -0.006 0.000 1.102 568 Y CB 0.396 38.852 38.460 -0.005 0.000 1.343 568 Y HN 0.580 nan 8.280 nan 0.000 0.463 569 N N 1.582 120.372 118.700 0.150 0.000 2.513 569 N HA 0.509 5.250 4.740 0.001 0.000 0.274 569 N C -0.999 174.610 175.510 0.165 0.000 1.189 569 N CA -0.402 52.701 53.050 0.088 0.000 0.975 569 N CB 1.012 39.541 38.487 0.069 0.000 1.157 569 N HN 0.693 nan 8.380 nan 0.000 0.465 570 I N 1.462 122.093 120.570 0.102 0.000 2.361 570 I HA 0.207 4.378 4.170 0.001 0.000 0.282 570 I C 1.498 177.667 176.117 0.087 0.000 1.075 570 I CA -0.400 60.970 61.300 0.116 0.000 1.205 570 I CB 0.782 38.839 38.000 0.095 0.000 1.406 570 I HN 0.722 nan 8.210 nan 0.000 0.481 571 G N 6.275 115.126 108.800 0.084 0.000 2.469 571 G HA2 -0.178 3.783 3.960 0.001 0.000 0.220 571 G HA3 -0.178 3.783 3.960 0.001 0.000 0.220 571 G C 0.545 175.487 174.900 0.069 0.000 1.136 571 G CA 0.650 45.791 45.100 0.069 0.000 0.759 571 G HN 0.696 nan 8.290 nan 0.000 0.562 572 N N -1.592 117.151 118.700 0.072 0.000 2.853 572 N HA 0.193 4.933 4.740 0.001 0.000 0.258 572 N C 0.130 175.693 175.510 0.087 0.000 1.444 572 N CA -0.588 52.509 53.050 0.078 0.000 0.837 572 N CB 1.131 39.660 38.487 0.070 0.000 1.489 572 N HN 0.018 nan 8.380 nan 0.000 0.529 573 E N 0.279 120.542 120.200 0.105 0.000 2.065 573 E HA -0.259 4.092 4.350 0.001 0.000 0.201 573 E C 1.395 178.055 176.600 0.100 0.000 1.016 573 E CA 1.875 58.353 56.400 0.130 0.000 0.818 573 E CB -0.063 29.730 29.700 0.154 0.000 0.749 573 E HN 0.471 nan 8.360 nan 0.000 0.453 574 Q N 0.625 120.470 119.800 0.074 0.000 2.135 574 Q HA -0.191 4.150 4.340 0.001 0.000 0.204 574 Q C 1.733 177.732 176.000 -0.002 0.000 0.981 574 Q CA 1.262 57.087 55.803 0.036 0.000 0.856 574 Q CB -0.267 28.491 28.738 0.032 0.000 0.902 574 Q HN 0.346 nan 8.270 nan 0.000 0.425 575 D N 0.275 120.687 120.400 0.021 0.000 2.183 575 D HA -0.034 4.606 4.640 0.001 0.000 0.203 575 D C 1.689 177.997 176.300 0.014 0.000 0.969 575 D CA 1.181 55.192 54.000 0.019 0.000 0.842 575 D CB -0.065 40.763 40.800 0.046 0.000 0.957 575 D HN 0.242 nan 8.370 nan 0.000 0.484 576 A N 0.758 123.598 122.820 0.033 0.000 2.014 576 A HA 0.172 4.493 4.320 0.001 0.000 0.218 576 A C 1.491 179.047 177.584 -0.048 0.000 1.163 576 A CA 0.872 52.935 52.037 0.044 0.000 0.652 576 A CB -0.318 18.749 19.000 0.113 0.000 0.808 576 A HN 0.172 nan 8.150 nan 0.000 0.449 577 A N 0.903 123.628 122.820 -0.159 0.000 2.545 577 A HA 0.486 4.807 4.320 0.001 0.000 0.297 577 A C 0.198 177.497 177.584 -0.476 0.000 1.340 577 A CA -0.032 51.666 52.037 -0.564 0.000 1.016 577 A CB -0.682 17.901 19.000 -0.695 0.000 1.122 577 A HN 0.700 nan 8.150 nan 0.000 0.537 578 Q N 1.572 121.128 119.800 -0.408 0.000 2.648 578 Q HA 0.556 4.896 4.340 0.001 0.000 0.300 578 Q C -1.161 174.767 176.000 -0.121 0.000 0.954 578 Q CA -1.361 54.316 55.803 -0.210 0.000 0.757 578 Q CB 0.994 29.687 28.738 -0.075 0.000 1.482 578 Q HN 0.294 nan 8.270 nan 0.000 0.437 579 K N 0.677 121.050 120.400 -0.045 0.000 2.202 579 K HA 0.338 4.658 4.320 0.001 0.000 0.264 579 K C -1.136 175.532 176.600 0.115 0.000 1.010 579 K CA -0.202 56.102 56.287 0.028 0.000 0.940 579 K CB 0.600 33.101 32.500 0.001 0.000 0.983 579 K HN 0.629 nan 8.250 nan 0.000 0.475 580 F N 2.074 122.032 119.950 0.013 0.000 2.402 580 F HA 0.124 4.652 4.527 0.001 0.000 0.355 580 F C -0.130 175.699 175.800 0.048 0.000 1.123 580 F CA -0.916 57.109 58.000 0.042 0.000 1.021 580 F CB 1.019 40.073 39.000 0.090 0.000 1.160 580 F HN 0.356 nan 8.300 nan 0.000 0.451 581 D N 9.080 129.080 120.400 -0.667 0.000 2.380 581 D HA 0.224 4.864 4.640 0.001 0.000 0.230 581 D C -1.629 174.093 176.300 -0.964 0.000 1.154 581 D CA -2.606 51.054 54.000 -0.567 0.000 0.859 581 D CB 1.594 42.212 40.800 -0.302 0.000 1.045 581 D HN 0.308 nan 8.370 nan 0.000 0.495 582 P HA -0.087 nan 4.420 nan 0.000 0.223 582 P C 1.109 178.338 177.300 -0.118 0.000 1.144 582 P CA 0.597 63.571 63.100 -0.210 0.000 0.783 582 P CB 0.278 32.132 31.700 0.257 0.000 0.771 583 G N -0.321 108.387 108.800 -0.154 0.000 2.712 583 G HA2 -0.015 3.945 3.960 0.001 0.000 0.212 583 G HA3 -0.015 3.945 3.960 0.001 0.000 0.212 583 G C 0.793 175.640 174.900 -0.088 0.000 1.142 583 G CA 0.622 45.678 45.100 -0.073 0.000 0.789 583 G HN 0.445 nan 8.290 nan 0.000 0.535 584 T N -1.770 112.674 114.554 -0.184 0.000 2.922 584 T HA 0.715 5.065 4.350 0.001 0.000 0.281 584 T C -0.387 174.263 174.700 -0.082 0.000 1.005 584 T CA -0.855 61.162 62.100 -0.139 0.000 0.982 584 T CB 2.115 70.880 68.868 -0.173 0.000 1.158 584 T HN -0.058 nan 8.240 nan 0.000 0.566 585 I N 1.173 121.692 120.570 -0.086 0.000 2.466 585 I HA 0.479 4.649 4.170 0.001 0.000 0.289 585 I C -0.261 175.769 176.117 -0.146 0.000 1.026 585 I CA -1.083 60.148 61.300 -0.116 0.000 1.078 585 I CB 1.787 39.610 38.000 -0.295 0.000 1.249 585 I HN 0.420 nan 8.210 nan 0.000 0.429 586 R N 7.227 127.698 120.500 -0.049 0.000 2.480 586 R HA 0.709 5.050 4.340 0.001 0.000 0.306 586 R C -1.243 174.989 176.300 -0.114 0.000 0.958 586 R CA -0.753 55.314 56.100 -0.055 0.000 0.861 586 R CB 2.146 32.508 30.300 0.103 0.000 1.171 586 R HN 0.568 nan 8.270 nan 0.000 0.445 587 L N 3.068 124.194 121.223 -0.162 0.000 2.362 587 L HA 0.523 4.864 4.340 0.001 0.000 0.271 587 L C -0.477 176.371 176.870 -0.035 0.000 1.002 587 L CA -1.270 53.488 54.840 -0.137 0.000 0.818 587 L CB 2.006 43.898 42.059 -0.279 0.000 1.298 587 L HN 0.238 nan 8.230 nan 0.000 0.420 588 L N 2.269 123.515 121.223 0.039 0.000 2.287 588 L HA 0.432 4.772 4.340 0.001 0.000 0.280 588 L C -0.162 176.769 176.870 0.100 0.000 1.055 588 L CA 0.404 55.288 54.840 0.072 0.000 0.863 588 L CB 0.758 42.874 42.059 0.096 0.000 1.245 588 L HN 0.571 nan 8.230 nan 0.000 0.432 589 S N 3.099 118.837 115.700 0.064 0.000 2.687 589 S HA 0.443 4.913 4.470 0.001 0.000 0.283 589 S C -0.190 174.451 174.600 0.067 0.000 1.170 589 S CA -0.756 57.488 58.200 0.074 0.000 1.008 589 S CB 1.166 64.388 63.200 0.037 0.000 1.026 589 S HN 0.609 nan 8.310 nan 0.000 0.541 590 N N 2.371 121.107 118.700 0.059 0.000 2.609 590 N HA 0.244 4.985 4.740 0.001 0.000 0.234 590 N C -1.927 173.589 175.510 0.010 0.000 1.001 590 N CA -2.147 50.922 53.050 0.030 0.000 0.926 590 N CB 1.205 39.699 38.487 0.013 0.000 1.130 590 N HN 0.248 nan 8.380 nan 0.000 0.510 591 P HA -0.081 nan 4.420 nan 0.000 0.226 591 P C -0.145 177.153 177.300 -0.003 0.000 1.146 591 P CA 1.078 64.183 63.100 0.008 0.000 0.773 591 P CB 0.395 32.104 31.700 0.014 0.000 0.772 592 N N -0.822 117.872 118.700 -0.010 0.000 2.299 592 N HA 0.069 4.809 4.740 0.001 0.000 0.187 592 N C 0.226 175.715 175.510 -0.036 0.000 1.099 592 N CA 0.287 53.325 53.050 -0.020 0.000 0.867 592 N CB 0.154 38.628 38.487 -0.020 0.000 0.974 592 N HN 0.166 nan 8.380 nan 0.000 0.477 593 K N 0.405 120.778 120.400 -0.046 0.000 2.468 593 K HA 0.373 4.694 4.320 0.001 0.000 0.252 593 K C -0.944 175.609 176.600 -0.078 0.000 0.932 593 K CA -0.558 55.685 56.287 -0.074 0.000 0.794 593 K CB 2.466 34.898 32.500 -0.113 0.000 1.241 593 K HN 0.012 nan 8.250 nan 0.000 0.428 594 E N 0.918 121.069 120.200 -0.081 0.000 2.359 594 E HA 0.183 4.534 4.350 0.001 0.000 0.266 594 E C -0.885 175.658 176.600 -0.095 0.000 0.920 594 E CA -0.976 55.382 56.400 -0.072 0.000 0.788 594 E CB 1.991 31.666 29.700 -0.041 0.000 1.279 594 E HN 0.661 nan 8.360 nan 0.000 0.438 595 N N -0.117 118.533 118.700 -0.083 0.000 2.418 595 N HA 0.151 4.891 4.740 0.001 0.000 0.283 595 N C 0.833 176.312 175.510 -0.052 0.000 1.267 595 N CA -0.769 52.231 53.050 -0.083 0.000 0.975 595 N CB 1.091 39.533 38.487 -0.076 0.000 1.167 595 N HN 0.347 nan 8.380 nan 0.000 0.581 596 R N -0.859 119.617 120.500 -0.041 0.000 2.211 596 R HA -0.098 4.243 4.340 0.001 0.000 0.240 596 R C 0.715 176.999 176.300 -0.027 0.000 1.144 596 R CA 1.436 57.518 56.100 -0.030 0.000 0.992 596 R CB -0.169 30.118 30.300 -0.023 0.000 0.869 596 R HN 0.629 nan 8.270 nan 0.000 0.462 597 M N -0.961 118.623 119.600 -0.027 0.000 2.431 597 M HA 0.243 4.723 4.480 0.001 0.000 0.237 597 M C 0.881 177.172 176.300 -0.014 0.000 1.130 597 M CA 0.621 55.908 55.300 -0.021 0.000 1.002 597 M CB 1.220 33.805 32.600 -0.025 0.000 1.524 597 M HN 0.342 nan 8.290 nan 0.000 0.482 598 G N 0.373 109.164 108.800 -0.016 0.000 2.157 598 G HA2 -0.277 3.683 3.960 0.001 0.000 0.248 598 G HA3 -0.277 3.683 3.960 0.001 0.000 0.248 598 G C 0.052 174.951 174.900 -0.001 0.000 0.979 598 G CA -0.067 45.027 45.100 -0.010 0.000 0.650 598 G HN 0.521 nan 8.290 nan 0.000 0.529 599 N N 1.479 120.180 118.700 0.002 0.000 2.479 599 N HA 0.486 5.227 4.740 0.001 0.000 0.285 599 N C -2.753 172.769 175.510 0.020 0.000 1.075 599 N CA -1.686 51.380 53.050 0.027 0.000 0.967 599 N CB 1.326 39.842 38.487 0.048 0.000 1.137 599 N HN -0.009 nan 8.380 nan 0.000 0.472 600 P HA -0.059 nan 4.420 nan 0.000 0.262 600 P C -0.422 176.902 177.300 0.040 0.000 1.199 600 P CA -0.244 62.871 63.100 0.024 0.000 0.763 600 P CB 0.383 32.103 31.700 0.034 0.000 0.790 601 V N 2.111 122.009 119.914 -0.027 0.000 2.557 601 V HA 0.290 4.411 4.120 0.001 0.000 0.301 601 V C 0.049 176.223 176.094 0.134 0.000 1.026 601 V CA 0.516 62.789 62.300 -0.045 0.000 1.137 601 V CB -0.325 31.300 31.823 -0.329 0.000 0.917 601 V HN 0.467 nan 8.190 nan 0.000 0.484 602 S N 3.229 119.083 115.700 0.257 0.000 2.671 602 S HA 0.754 5.225 4.470 0.001 0.000 0.277 602 S C -1.403 173.351 174.600 0.256 0.000 1.165 602 S CA -0.555 57.815 58.200 0.283 0.000 0.822 602 S CB 1.740 65.054 63.200 0.189 0.000 1.150 602 S HN 0.756 nan 8.310 nan 0.000 0.479 603 Y N 1.380 121.764 120.300 0.140 0.000 2.373 603 Y HA 0.417 4.967 4.550 0.001 0.000 0.336 603 Y C -0.062 175.867 175.900 0.049 0.000 0.979 603 Y CA -0.450 57.695 58.100 0.074 0.000 1.080 603 Y CB 1.773 40.228 38.460 -0.007 0.000 1.190 603 Y HN 0.612 nan 8.280 nan 0.000 0.446 604 Q N 4.677 124.572 119.800 0.158 0.000 2.288 604 Q HA 0.456 4.796 4.340 0.001 0.000 0.258 604 Q C -1.197 174.851 176.000 0.080 0.000 0.957 604 Q CA -0.300 55.554 55.803 0.085 0.000 0.919 604 Q CB 0.620 29.454 28.738 0.160 0.000 1.185 604 Q HN 0.662 nan 8.270 nan 0.000 0.408 605 I N 6.079 126.664 120.570 0.024 0.000 2.304 605 I HA 0.287 4.458 4.170 0.001 0.000 0.291 605 I C -0.340 175.681 176.117 -0.159 0.000 1.018 605 I CA -0.433 60.847 61.300 -0.034 0.000 1.260 605 I CB 0.857 38.846 38.000 -0.018 0.000 1.390 605 I HN 0.553 nan 8.210 nan 0.000 0.475 606 I N 8.340 128.781 120.570 -0.215 0.000 2.537 606 I HA 0.254 4.425 4.170 0.001 0.000 0.276 606 I C -1.962 173.922 176.117 -0.388 0.000 1.063 606 I CA -1.494 59.575 61.300 -0.385 0.000 1.144 606 I CB 1.476 39.415 38.000 -0.101 0.000 1.252 606 I HN 0.319 nan 8.210 nan 0.000 0.480 607 P HA -0.133 nan 4.420 nan 0.000 0.223 607 P C -0.366 176.956 177.300 0.036 0.000 1.151 607 P CA 1.113 64.086 63.100 -0.212 0.000 0.787 607 P CB 0.052 31.625 31.700 -0.212 0.000 0.788 608 Y N -0.202 120.020 120.300 -0.130 0.000 2.402 608 Y HA 0.616 5.167 4.550 0.001 0.000 0.325 608 Y C -0.091 175.918 175.900 0.180 0.000 1.009 608 Y CA -1.467 56.715 58.100 0.137 0.000 1.278 608 Y CB 0.721 39.368 38.460 0.312 0.000 1.105 608 Y HN -0.185 nan 8.280 nan 0.000 0.476 609 A N 3.725 126.330 122.820 -0.358 0.000 2.564 609 A HA 0.726 5.047 4.320 0.001 0.000 0.279 609 A C 0.726 178.136 177.584 -0.290 0.000 1.232 609 A CA 0.250 52.119 52.037 -0.281 0.000 0.950 609 A CB -0.559 18.392 19.000 -0.082 0.000 1.138 609 A HN 1.546 nan 8.150 nan 0.000 0.526 610 G N -2.075 106.309 108.800 -0.692 0.000 2.408 610 G HA2 0.527 4.487 3.960 0.001 0.000 0.682 610 G HA3 0.527 4.487 3.960 0.001 0.000 0.682 610 G C -0.195 174.691 174.900 -0.025 0.000 1.303 610 G CA -0.255 44.709 45.100 -0.227 0.000 0.966 610 G HN 2.012 nan 8.290 nan 0.000 0.560 611 G N -2.341 106.509 108.800 0.083 0.000 2.411 611 G HA2 0.699 4.660 3.960 0.001 0.000 0.295 611 G HA3 0.699 4.660 3.960 0.001 0.000 0.295 611 G C 0.482 175.444 174.900 0.105 0.000 1.542 611 G CA 0.930 46.042 45.100 0.020 0.000 0.814 611 G HN 2.036 nan 8.290 nan 0.000 0.557 612 T N -2.505 112.089 114.554 0.065 0.000 3.081 612 T HA 0.276 4.627 4.350 0.001 0.000 0.250 612 T C 0.661 175.399 174.700 0.063 0.000 1.100 612 T CA 0.651 62.785 62.100 0.057 0.000 1.038 612 T CB -0.148 68.734 68.868 0.023 0.000 0.962 612 T HN 0.553 nan 8.240 nan 0.000 0.516 613 H N 0.952 120.038 119.070 0.027 0.000 2.651 613 H HA 0.463 5.020 4.556 0.001 0.000 0.353 613 H C -2.503 172.844 175.328 0.032 0.000 1.178 613 H CA -2.816 53.230 56.048 -0.004 0.000 1.224 613 H CB 1.543 31.275 29.762 -0.051 0.000 1.702 613 H HN 0.055 nan 8.280 nan 0.000 0.550 614 P HA -0.086 nan 4.420 nan 0.000 0.267 614 P C -0.988 176.348 177.300 0.060 0.000 1.200 614 P CA 0.042 63.174 63.100 0.053 0.000 0.772 614 P CB 0.615 32.302 31.700 -0.022 0.000 0.855 615 V N 2.674 122.617 119.914 0.048 0.000 2.607 615 V HA 0.499 4.620 4.120 0.001 0.000 0.289 615 V C -0.028 176.040 176.094 -0.043 0.000 1.053 615 V CA -0.582 61.729 62.300 0.018 0.000 0.996 615 V CB 0.657 32.425 31.823 -0.093 0.000 0.995 615 V HN 0.674 nan 8.190 nan 0.000 0.476 616 A N 5.558 128.362 122.820 -0.027 0.000 2.350 616 A HA 0.358 4.679 4.320 0.001 0.000 0.293 616 A C 0.949 178.500 177.584 -0.055 0.000 1.231 616 A CA -0.236 51.772 52.037 -0.049 0.000 0.883 616 A CB -0.004 18.974 19.000 -0.036 0.000 1.133 616 A HN 1.001 nan 8.150 nan 0.000 0.533 617 K N 1.781 122.142 120.400 -0.065 0.000 2.362 617 K HA 0.177 4.498 4.320 0.001 0.000 0.200 617 K C 1.017 177.605 176.600 -0.021 0.000 1.046 617 K CA 1.015 57.268 56.287 -0.056 0.000 0.952 617 K CB 0.091 32.558 32.500 -0.055 0.000 0.753 617 K HN 0.956 nan 8.250 nan 0.000 0.466 618 G N -0.462 108.328 108.800 -0.016 0.000 2.323 618 G HA2 0.386 4.347 3.960 0.001 0.000 0.291 618 G HA3 0.386 4.347 3.960 0.001 0.000 0.291 618 G C -1.754 173.139 174.900 -0.011 0.000 1.278 618 G CA -0.570 44.536 45.100 0.010 0.000 0.860 618 G HN 0.070 nan 8.290 nan 0.000 0.504 619 A N -0.043 122.796 122.820 0.032 0.000 2.454 619 A HA 0.534 4.855 4.320 0.001 0.000 0.260 619 A C 0.691 178.254 177.584 -0.035 0.000 1.106 619 A CA 0.032 52.086 52.037 0.028 0.000 0.780 619 A CB 0.303 19.441 19.000 0.230 0.000 1.044 619 A HN 0.444 nan 8.150 nan 0.000 0.498 620 Q N 1.810 121.423 119.800 -0.312 0.000 2.800 620 Q HA 0.141 4.481 4.340 0.001 0.000 0.261 620 Q C -1.423 174.295 176.000 -0.470 0.000 1.093 620 Q CA 0.628 56.221 55.803 -0.349 0.000 0.943 620 Q CB -0.676 27.833 28.738 -0.381 0.000 1.591 620 Q HN 0.570 nan 8.270 nan 0.000 0.429 621 F N -0.546 119.453 119.950 0.080 0.000 2.540 621 F HA 0.486 5.014 4.527 0.001 0.000 0.317 621 F C 0.451 176.219 175.800 -0.054 0.000 1.104 621 F CA -1.501 56.541 58.000 0.070 0.000 0.913 621 F CB 0.988 40.099 39.000 0.185 0.000 1.170 621 F HN 0.015 nan 8.300 nan 0.000 0.450 622 A N 3.501 126.395 122.820 0.122 0.000 2.492 622 A HA 0.344 4.664 4.320 0.001 0.000 0.236 622 A C -1.706 175.692 177.584 -0.309 0.000 1.078 622 A CA -0.807 51.191 52.037 -0.064 0.000 0.773 622 A CB -0.324 18.663 19.000 -0.022 0.000 1.023 622 A HN 0.592 nan 8.150 nan 0.000 0.504 623 P HA -0.017 nan 4.420 nan 0.000 0.242 623 P C 0.050 177.103 177.300 -0.412 0.000 1.197 623 P CA 1.034 63.674 63.100 -0.766 0.000 0.765 623 P CB -0.044 31.359 31.700 -0.494 0.000 0.936 624 D N -2.129 118.134 120.400 -0.229 0.000 2.339 624 D HA -0.019 4.622 4.640 0.001 0.000 0.217 624 D C 0.469 176.698 176.300 -0.118 0.000 1.050 624 D CA 0.181 54.094 54.000 -0.146 0.000 0.856 624 D CB -0.412 40.339 40.800 -0.083 0.000 0.922 624 D HN 0.046 nan 8.370 nan 0.000 0.518 625 E N -0.306 119.844 120.200 -0.084 0.000 2.374 625 E HA 0.039 4.390 4.350 0.001 0.000 0.260 625 E C 0.212 176.796 176.600 -0.026 0.000 1.101 625 E CA -0.347 56.060 56.400 0.012 0.000 0.907 625 E CB 0.710 30.418 29.700 0.015 0.000 1.014 625 E HN 0.240 nan 8.360 nan 0.000 0.427 626 W N 0.870 122.159 121.300 -0.018 0.000 2.488 626 W HA -0.042 4.619 4.660 0.001 0.000 0.304 626 W C 2.065 178.556 176.519 -0.047 0.000 1.175 626 W CA -0.034 57.284 57.345 -0.044 0.000 1.365 626 W CB -0.362 28.985 29.460 -0.188 0.000 1.131 626 W HN 0.539 nan 8.180 nan 0.000 0.520 627 I N -0.110 120.461 120.570 0.003 0.000 2.300 627 I HA -0.364 3.807 4.170 0.001 0.000 0.252 627 I C 2.211 178.272 176.117 -0.094 0.000 1.119 627 I CA 1.668 62.891 61.300 -0.129 0.000 1.384 627 I CB -0.819 36.934 38.000 -0.413 0.000 1.062 627 I HN 0.167 nan 8.210 nan 0.000 0.426 628 Y N -0.150 120.027 120.300 -0.204 0.000 2.314 628 Y HA -0.206 4.344 4.550 0.001 0.000 0.293 628 Y C 2.603 178.496 175.900 -0.013 0.000 1.129 628 Y CA 2.116 60.169 58.100 -0.077 0.000 1.201 628 Y CB -0.543 37.899 38.460 -0.029 0.000 0.999 628 Y HN 0.509 nan 8.280 nan 0.000 0.541 629 H N -0.223 118.903 119.070 0.093 0.000 2.268 629 H HA -0.051 4.506 4.556 0.001 0.000 0.304 629 H C 2.308 177.635 175.328 -0.001 0.000 1.064 629 H CA 2.076 58.126 56.048 0.003 0.000 1.316 629 H CB -0.156 29.483 29.762 -0.205 0.000 1.386 629 H HN 0.129 nan 8.280 nan 0.000 0.496 630 R N -0.020 120.707 120.500 0.379 0.000 2.139 630 R HA -0.062 4.279 4.340 0.001 0.000 0.243 630 R C 0.025 176.351 176.300 0.044 0.000 1.145 630 R CA 1.251 57.516 56.100 0.274 0.000 0.976 630 R CB -0.148 30.318 30.300 0.277 0.000 0.866 630 R HN 0.305 nan 8.270 nan 0.000 0.449 631 L N 0.618 121.829 121.223 -0.019 0.000 2.388 631 L HA 0.239 4.580 4.340 0.001 0.000 0.267 631 L C 0.690 177.418 176.870 -0.237 0.000 0.995 631 L CA -0.451 54.351 54.840 -0.064 0.000 0.864 631 L CB 2.040 44.076 42.059 -0.038 0.000 1.216 631 L HN 0.025 nan 8.230 nan 0.000 0.430 632 S N 1.341 116.940 115.700 -0.169 0.000 2.478 632 S HA -0.098 4.372 4.470 0.001 0.000 0.222 632 S C 1.619 176.215 174.600 -0.008 0.000 1.008 632 S CA 0.049 58.161 58.200 -0.146 0.000 0.928 632 S CB -0.328 62.870 63.200 -0.003 0.000 0.781 632 S HN 0.665 nan 8.310 nan 0.000 0.518 633 F N 1.927 121.777 119.950 -0.167 0.000 2.449 633 F HA 0.107 4.635 4.527 0.001 0.000 0.299 633 F C 1.859 177.737 175.800 0.131 0.000 1.092 633 F CA 0.538 58.450 58.000 -0.148 0.000 1.446 633 F CB -0.931 37.837 39.000 -0.385 0.000 1.084 633 F HN 0.082 nan 8.300 nan 0.000 0.567 634 M N 0.348 119.544 119.600 -0.673 0.000 2.175 634 M HA -0.135 4.345 4.480 0.001 0.000 0.264 634 M C 1.329 177.557 176.300 -0.119 0.000 1.063 634 M CA 1.673 56.670 55.300 -0.505 0.000 1.119 634 M CB -0.507 31.787 32.600 -0.509 0.000 1.377 634 M HN 0.073 nan 8.290 nan 0.000 0.415 635 D N 0.449 120.819 120.400 -0.050 0.000 2.271 635 D HA 0.064 4.705 4.640 0.001 0.000 0.206 635 D C 0.355 176.694 176.300 0.066 0.000 0.967 635 D CA 0.746 54.758 54.000 0.021 0.000 0.867 635 D CB 0.391 41.190 40.800 -0.001 0.000 0.960 635 D HN 0.182 nan 8.370 nan 0.000 0.509 636 K N 0.566 121.047 120.400 0.135 0.000 2.123 636 K HA 0.293 4.614 4.320 0.001 0.000 0.259 636 K C 0.422 177.141 176.600 0.200 0.000 0.960 636 K CA -0.326 55.956 56.287 -0.008 0.000 0.872 636 K CB 1.678 33.832 32.500 -0.578 0.000 1.079 636 K HN -0.175 nan 8.250 nan 0.000 0.440 637 Q N 0.353 120.238 119.800 0.142 0.000 2.376 637 Q HA 0.122 4.463 4.340 0.001 0.000 0.206 637 Q C -0.275 175.891 176.000 0.276 0.000 0.921 637 Q CA 0.316 56.270 55.803 0.250 0.000 0.911 637 Q CB 0.326 29.214 28.738 0.249 0.000 1.032 637 Q HN 0.351 nan 8.270 nan 0.000 0.510 638 L N -0.165 121.149 121.223 0.151 0.000 2.385 638 L HA 0.602 4.943 4.340 0.001 0.000 0.273 638 L C -2.065 174.834 176.870 0.048 0.000 0.990 638 L CA -0.477 54.474 54.840 0.185 0.000 0.821 638 L CB 1.189 43.336 42.059 0.146 0.000 1.279 638 L HN -0.006 nan 8.230 nan 0.000 0.412 639 W N 4.174 125.611 121.300 0.228 0.000 3.138 639 W HA 0.756 5.417 4.660 0.001 0.000 0.331 639 W C -1.324 175.389 176.519 0.324 0.000 1.166 639 W CA -0.810 56.664 57.345 0.216 0.000 1.212 639 W CB 2.188 31.724 29.460 0.126 0.000 1.399 639 W HN 0.268 nan 8.180 nan 0.000 0.514 640 V N 2.663 122.862 119.914 0.475 0.000 2.524 640 V HA 0.656 4.777 4.120 0.001 0.000 0.297 640 V C -0.232 176.072 176.094 0.350 0.000 1.035 640 V CA -0.816 61.729 62.300 0.409 0.000 0.867 640 V CB 1.358 33.331 31.823 0.251 0.000 1.004 640 V HN 0.575 nan 8.190 nan 0.000 0.426 641 T N 1.771 116.570 114.554 0.409 0.000 2.924 641 T HA 0.694 5.045 4.350 0.001 0.000 0.291 641 T C -0.223 174.587 174.700 0.183 0.000 1.045 641 T CA -1.058 61.218 62.100 0.293 0.000 1.015 641 T CB 1.775 70.835 68.868 0.320 0.000 1.103 641 T HN 0.527 nan 8.240 nan 0.000 0.496 642 R N 0.445 120.973 120.500 0.048 0.000 2.594 642 R HA 0.201 4.541 4.340 0.001 0.000 0.272 642 R C -0.451 175.648 176.300 -0.335 0.000 1.074 642 R CA -0.715 55.321 56.100 -0.105 0.000 1.105 642 R CB 0.202 30.414 30.300 -0.147 0.000 1.008 642 R HN 0.708 nan 8.270 nan 0.000 0.472 643 Y N 3.395 123.514 120.300 -0.302 0.000 2.721 643 Y HA -0.087 4.464 4.550 0.001 0.000 0.329 643 Y C -0.623 175.031 175.900 -0.410 0.000 1.211 643 Y CA 0.604 58.546 58.100 -0.262 0.000 1.512 643 Y CB 0.261 38.650 38.460 -0.118 0.000 1.249 643 Y HN 0.426 nan 8.280 nan 0.000 0.549 644 H N 8.116 126.750 119.070 -0.727 0.000 3.172 644 H HA 0.179 4.736 4.556 0.001 0.000 0.322 644 H C -1.998 172.891 175.328 -0.731 0.000 1.003 644 H CA -2.106 53.527 56.048 -0.692 0.000 1.466 644 H CB 1.613 31.178 29.762 -0.328 0.000 1.673 644 H HN 0.513 nan 8.280 nan 0.000 0.512 645 P HA -0.139 nan 4.420 nan 0.000 0.223 645 P C 1.185 178.378 177.300 -0.178 0.000 1.140 645 P CA 1.247 64.163 63.100 -0.306 0.000 0.783 645 P CB 0.189 31.801 31.700 -0.146 0.000 0.759 646 G N -0.650 108.042 108.800 -0.180 0.000 2.986 646 G HA2 -0.006 3.954 3.960 0.001 0.000 0.213 646 G HA3 -0.006 3.954 3.960 0.001 0.000 0.213 646 G C 0.397 175.186 174.900 -0.185 0.000 1.156 646 G CA -0.140 44.882 45.100 -0.130 0.000 0.763 646 G HN 0.284 nan 8.290 nan 0.000 0.547 647 E N 0.836 120.852 120.200 -0.307 0.000 2.028 647 E HA 0.368 4.719 4.350 0.001 0.000 0.266 647 E C 0.247 176.622 176.600 -0.376 0.000 0.962 647 E CA -0.348 55.680 56.400 -0.620 0.000 0.784 647 E CB 0.993 30.105 29.700 -0.979 0.000 1.114 647 E HN 0.229 nan 8.360 nan 0.000 0.414 648 R N 1.568 121.817 120.500 -0.419 0.000 2.517 648 R HA 0.188 4.529 4.340 0.001 0.000 0.265 648 R C -0.298 175.679 176.300 -0.539 0.000 0.921 648 R CA 0.020 55.773 56.100 -0.578 0.000 1.054 648 R CB 0.716 30.375 30.300 -1.069 0.000 1.340 648 R HN 0.234 nan 8.270 nan 0.000 0.551 649 F N 2.404 122.538 119.950 0.306 0.000 2.467 649 F HA 0.370 4.898 4.527 0.001 0.000 0.336 649 F C -1.479 174.360 175.800 0.065 0.000 1.123 649 F CA -3.025 55.075 58.000 0.167 0.000 0.964 649 F CB 1.408 40.414 39.000 0.010 0.000 1.136 649 F HN -0.260 nan 8.300 nan 0.000 0.447 650 P HA -0.194 nan 4.420 nan 0.000 0.218 650 P C 0.776 177.750 177.300 -0.544 0.000 1.149 650 P CA 1.670 64.461 63.100 -0.514 0.000 0.817 650 P CB 0.287 31.504 31.700 -0.806 0.000 0.785 651 E N 0.497 120.436 120.200 -0.436 0.000 2.479 651 E HA 0.203 4.554 4.350 0.001 0.000 0.193 651 E C 0.841 177.387 176.600 -0.090 0.000 1.049 651 E CA 0.428 56.737 56.400 -0.151 0.000 0.870 651 E CB -0.479 29.200 29.700 -0.036 0.000 0.944 651 E HN 0.199 nan 8.360 nan 0.000 0.492 652 G N 1.739 110.508 108.800 -0.052 0.000 2.663 652 G HA2 -0.249 3.711 3.960 0.001 0.000 0.686 652 G HA3 -0.249 3.711 3.960 0.001 0.000 0.686 652 G C 0.088 174.978 174.900 -0.018 0.000 1.246 652 G CA -0.099 44.996 45.100 -0.009 0.000 0.795 652 G HN 0.137 nan 8.290 nan 0.000 0.627 653 K N -0.567 119.829 120.400 -0.007 0.000 2.057 653 K HA -0.004 4.317 4.320 0.001 0.000 0.207 653 K C 0.422 176.597 176.600 -0.708 0.000 1.049 653 K CA 1.509 57.572 56.287 -0.373 0.000 0.931 653 K CB -0.098 32.211 32.500 -0.318 0.000 0.714 653 K HN 0.529 nan 8.250 nan 0.000 0.440 654 Y N 0.551 120.804 120.300 -0.078 0.000 2.837 654 Y HA 0.248 4.798 4.550 0.001 0.000 0.356 654 Y C -1.890 173.972 175.900 -0.064 0.000 1.035 654 Y CA -1.959 56.095 58.100 -0.077 0.000 1.165 654 Y CB 1.408 39.839 38.460 -0.047 0.000 1.147 654 Y HN 0.152 nan 8.280 nan 0.000 0.628 655 P HA -0.110 nan 4.420 nan 0.000 0.233 655 P C 0.044 177.360 177.300 0.028 0.000 1.167 655 P CA 0.562 63.667 63.100 0.009 0.000 0.770 655 P CB 0.448 32.140 31.700 -0.013 0.000 0.837 656 N N 1.908 120.628 118.700 0.034 0.000 2.427 656 N HA -0.028 4.713 4.740 0.001 0.000 0.269 656 N C 0.243 175.743 175.510 -0.018 0.000 1.235 656 N CA 0.208 53.253 53.050 -0.008 0.000 0.934 656 N CB -0.490 37.982 38.487 -0.025 0.000 1.121 656 N HN -0.074 nan 8.380 nan 0.000 0.480 657 R N 0.421 120.886 120.500 -0.059 0.000 3.641 657 R HA -0.177 4.164 4.340 0.001 0.000 0.286 657 R C -0.364 175.926 176.300 -0.018 0.000 1.153 657 R CA 0.811 56.879 56.100 -0.053 0.000 0.775 657 R CB -2.798 27.347 30.300 -0.259 0.000 1.215 657 R HN 0.729 nan 8.270 nan 0.000 0.474 658 S N -0.637 115.057 115.700 -0.010 0.000 2.572 658 S HA 0.171 4.642 4.470 0.001 0.000 0.279 658 S C 1.481 175.976 174.600 -0.175 0.000 1.341 658 S CA 0.123 58.294 58.200 -0.048 0.000 1.043 658 S CB 1.586 64.772 63.200 -0.022 0.000 0.887 658 S HN 0.345 nan 8.310 nan 0.000 0.516 659 T N -2.535 111.912 114.554 -0.178 0.000 3.023 659 T HA 0.213 4.563 4.350 0.001 0.000 0.253 659 T C 0.412 175.315 174.700 0.337 0.000 1.038 659 T CA 0.222 62.136 62.100 -0.311 0.000 0.962 659 T CB -0.513 68.062 68.868 -0.487 0.000 1.018 659 T HN 0.992 nan 8.240 nan 0.000 0.521 660 H N -1.496 117.653 119.070 0.131 0.000 2.981 660 H HA 0.466 5.022 4.556 0.001 0.000 0.327 660 H C -2.093 173.279 175.328 0.074 0.000 1.342 660 H CA -1.049 55.132 56.048 0.222 0.000 1.123 660 H CB 0.598 30.462 29.762 0.169 0.000 1.851 660 H HN -0.036 nan 8.280 nan 0.000 0.531 661 D N 1.317 121.687 120.400 -0.050 0.000 2.346 661 D HA 0.083 4.724 4.640 0.001 0.000 0.260 661 D C 0.766 176.900 176.300 -0.277 0.000 1.252 661 D CA 0.346 54.237 54.000 -0.182 0.000 0.895 661 D CB 0.754 41.444 40.800 -0.182 0.000 1.097 661 D HN 0.629 nan 8.370 nan 0.000 0.489 662 T N 0.326 114.682 114.554 -0.330 0.000 3.054 662 T HA 0.354 4.704 4.350 0.001 0.000 0.255 662 T C 1.007 175.456 174.700 -0.419 0.000 1.035 662 T CA -0.215 61.704 62.100 -0.302 0.000 0.941 662 T CB 0.773 69.503 68.868 -0.230 0.000 1.026 662 T HN 0.250 nan 8.240 nan 0.000 0.533 663 G N 1.292 109.754 108.800 -0.563 0.000 3.227 663 G HA2 0.491 4.452 3.960 0.001 0.000 0.171 663 G HA3 0.491 4.452 3.960 0.001 0.000 0.171 663 G C 0.806 174.764 174.900 -1.570 0.000 1.463 663 G CA -0.720 43.811 45.100 -0.948 0.000 1.016 663 G HN 0.269 nan 8.290 nan 0.000 0.594 664 L N 0.883 121.408 121.223 -1.163 0.000 2.189 664 L HA -0.069 4.272 4.340 0.001 0.000 0.214 664 L C 3.013 179.499 176.870 -0.641 0.000 1.097 664 L CA 1.151 55.342 54.840 -1.083 0.000 0.764 664 L CB -0.429 40.678 42.059 -1.585 0.000 0.900 664 L HN 0.586 nan 8.230 nan 0.000 0.436 665 G N -1.163 107.360 108.800 -0.461 0.000 2.418 665 G HA2 -0.307 3.653 3.960 0.001 0.000 0.217 665 G HA3 -0.307 3.653 3.960 0.001 0.000 0.217 665 G C 1.474 176.278 174.900 -0.161 0.000 1.158 665 G CA 0.645 45.643 45.100 -0.171 0.000 0.771 665 G HN 0.412 nan 8.290 nan 0.000 0.545 666 Q N -0.844 118.771 119.800 -0.308 0.000 2.049 666 Q HA -0.120 4.220 4.340 0.001 0.000 0.198 666 Q C 2.326 178.301 176.000 -0.042 0.000 0.971 666 Q CA 1.055 56.745 55.803 -0.189 0.000 0.833 666 Q CB -0.229 28.363 28.738 -0.243 0.000 0.896 666 Q HN 0.522 nan 8.270 nan 0.000 0.434 667 Y N 0.594 120.840 120.300 -0.091 0.000 2.256 667 Y HA -0.146 4.405 4.550 0.001 0.000 0.288 667 Y C 2.595 178.512 175.900 0.028 0.000 1.155 667 Y CA 1.337 59.408 58.100 -0.048 0.000 1.203 667 Y CB -0.701 37.660 38.460 -0.165 0.000 0.980 667 Y HN 0.297 nan 8.280 nan 0.000 0.530 668 S N -1.418 114.382 115.700 0.166 0.000 2.511 668 S HA 0.087 4.557 4.470 0.001 0.000 0.214 668 S C 1.757 176.436 174.600 0.131 0.000 0.997 668 S CA 0.033 58.340 58.200 0.179 0.000 0.908 668 S CB 0.054 63.404 63.200 0.250 0.000 0.803 668 S HN 0.079 nan 8.310 nan 0.000 0.504 669 K N 2.366 122.823 120.400 0.095 0.000 2.107 669 K HA -0.162 4.158 4.320 0.001 0.000 0.211 669 K C 0.725 177.367 176.600 0.070 0.000 1.049 669 K CA 2.047 58.374 56.287 0.067 0.000 0.927 669 K CB -0.838 31.687 32.500 0.042 0.000 0.714 669 K HN 0.327 nan 8.250 nan 0.000 0.452 670 D N -0.269 120.181 120.400 0.083 0.000 2.349 670 D HA -0.022 4.618 4.640 0.001 0.000 0.224 670 D C -0.394 175.954 176.300 0.079 0.000 1.029 670 D CA 0.306 54.351 54.000 0.076 0.000 0.879 670 D CB -0.487 40.360 40.800 0.079 0.000 0.906 670 D HN 0.418 nan 8.370 nan 0.000 0.528 671 N N 1.129 119.881 118.700 0.088 0.000 2.699 671 N HA -0.221 4.520 4.740 0.001 0.000 0.256 671 N C -0.848 174.713 175.510 0.085 0.000 0.993 671 N CA -0.004 53.096 53.050 0.083 0.000 0.759 671 N CB -0.311 38.213 38.487 0.062 0.000 0.906 671 N HN 0.349 nan 8.380 nan 0.000 0.541 672 E N 0.227 120.490 120.200 0.105 0.000 2.374 672 E HA 0.092 4.443 4.350 0.001 0.000 0.260 672 E C 0.229 176.884 176.600 0.093 0.000 1.101 672 E CA -0.328 56.134 56.400 0.103 0.000 0.907 672 E CB 0.925 30.704 29.700 0.131 0.000 1.014 672 E HN 0.253 nan 8.360 nan 0.000 0.427 673 S N 1.263 117.012 115.700 0.082 0.000 2.533 673 S HA 0.076 4.546 4.470 0.001 0.000 0.282 673 S C 0.339 174.985 174.600 0.076 0.000 1.304 673 S CA -0.381 57.863 58.200 0.073 0.000 1.063 673 S CB 0.077 63.315 63.200 0.062 0.000 0.881 673 S HN 0.408 nan 8.310 nan 0.000 0.493 674 L N 3.735 125.004 121.223 0.076 0.000 3.062 674 L HA 0.366 4.707 4.340 0.001 0.000 0.255 674 L C -0.099 176.811 176.870 0.066 0.000 1.274 674 L CA -0.234 54.653 54.840 0.079 0.000 1.047 674 L CB 0.123 42.238 42.059 0.093 0.000 1.402 674 L HN 0.571 nan 8.230 nan 0.000 0.550 675 D N 0.888 121.323 120.400 0.058 0.000 2.274 675 D HA 0.098 4.739 4.640 0.001 0.000 0.239 675 D C 0.703 177.029 176.300 0.044 0.000 1.104 675 D CA -0.150 53.880 54.000 0.049 0.000 0.840 675 D CB 0.484 41.312 40.800 0.046 0.000 1.100 675 D HN 0.167 nan 8.370 nan 0.000 0.477 676 N N 2.730 121.454 118.700 0.040 0.000 2.705 676 N HA -0.252 4.488 4.740 0.001 0.000 0.255 676 N C -1.272 174.259 175.510 0.035 0.000 1.008 676 N CA 0.713 53.783 53.050 0.033 0.000 0.742 676 N CB -0.406 38.097 38.487 0.027 0.000 0.906 676 N HN 0.439 nan 8.380 nan 0.000 0.541 677 T N -0.664 113.916 114.554 0.043 0.000 2.841 677 T HA 0.127 4.477 4.350 0.001 0.000 0.296 677 T C -1.473 173.256 174.700 0.049 0.000 1.166 677 T CA -0.628 61.500 62.100 0.045 0.000 1.007 677 T CB 1.509 70.408 68.868 0.052 0.000 1.253 677 T HN 0.188 nan 8.240 nan 0.000 0.511 678 D N 1.816 122.246 120.400 0.050 0.000 2.356 678 D HA 0.416 5.057 4.640 0.001 0.000 0.272 678 D C -0.005 176.340 176.300 0.075 0.000 1.337 678 D CA 0.092 54.123 54.000 0.051 0.000 0.970 678 D CB 0.100 40.928 40.800 0.046 0.000 1.092 678 D HN 0.721 nan 8.370 nan 0.000 0.516 679 A N 3.133 125.997 122.820 0.074 0.000 2.282 679 A HA 0.626 4.947 4.320 0.001 0.000 0.319 679 A C -0.614 177.030 177.584 0.100 0.000 1.121 679 A CA -0.639 51.457 52.037 0.098 0.000 0.836 679 A CB 1.423 20.483 19.000 0.100 0.000 1.146 679 A HN 0.357 nan 8.150 nan 0.000 0.494 680 V N 2.148 122.143 119.914 0.135 0.000 2.443 680 V HA 0.326 4.447 4.120 0.001 0.000 0.293 680 V C -0.422 175.729 176.094 0.096 0.000 1.021 680 V CA -0.507 61.833 62.300 0.065 0.000 0.848 680 V CB 1.433 33.295 31.823 0.066 0.000 0.998 680 V HN 0.659 nan 8.190 nan 0.000 0.424 681 V N 4.288 124.197 119.914 -0.008 0.000 2.465 681 V HA 0.436 4.557 4.120 0.001 0.000 0.279 681 V C -0.870 175.212 176.094 -0.020 0.000 1.045 681 V CA -0.398 61.964 62.300 0.104 0.000 0.938 681 V CB 1.443 33.319 31.823 0.089 0.000 0.986 681 V HN 0.892 nan 8.190 nan 0.000 0.467 682 W N 4.978 126.404 121.300 0.210 0.000 2.475 682 W HA 0.702 5.363 4.660 0.001 0.000 0.320 682 W C -0.216 176.480 176.519 0.296 0.000 1.022 682 W CA -0.622 56.855 57.345 0.219 0.000 1.240 682 W CB 1.101 30.657 29.460 0.161 0.000 1.328 682 W HN 0.278 nan 8.180 nan 0.000 0.439 683 M N 3.316 123.179 119.600 0.437 0.000 2.205 683 M HA 0.441 4.921 4.480 0.001 0.000 0.344 683 M C -0.272 176.285 176.300 0.429 0.000 1.085 683 M CA -0.279 55.253 55.300 0.387 0.000 1.001 683 M CB 1.716 34.475 32.600 0.266 0.000 1.626 683 M HN 0.220 nan 8.290 nan 0.000 0.442 684 T N 1.563 116.366 114.554 0.416 0.000 2.779 684 T HA 0.558 4.909 4.350 0.001 0.000 0.280 684 T C -0.364 174.536 174.700 0.334 0.000 0.987 684 T CA -0.448 61.887 62.100 0.392 0.000 0.966 684 T CB 1.613 70.752 68.868 0.453 0.000 0.933 684 T HN 0.717 nan 8.240 nan 0.000 0.442 685 T N 1.459 116.221 114.554 0.347 0.000 2.894 685 T HA 0.782 5.133 4.350 0.001 0.000 0.309 685 T C -0.702 174.203 174.700 0.343 0.000 1.208 685 T CA -0.169 62.136 62.100 0.342 0.000 1.016 685 T CB 1.504 70.607 68.868 0.392 0.000 1.192 685 T HN 0.936 nan 8.240 nan 0.000 0.491 686 G N 1.114 110.075 108.800 0.269 0.000 2.548 686 G HA2 0.660 4.620 3.960 0.001 0.000 0.301 686 G HA3 0.660 4.620 3.960 0.001 0.000 0.301 686 G C -0.813 174.191 174.900 0.174 0.000 1.349 686 G CA 0.018 45.240 45.100 0.203 0.000 0.792 686 G HN 1.103 nan 8.290 nan 0.000 0.481 687 T N -2.833 111.804 114.554 0.138 0.000 2.916 687 T HA 0.712 5.062 4.350 0.001 0.000 0.292 687 T C -0.757 173.929 174.700 -0.023 0.000 1.055 687 T CA -0.600 61.568 62.100 0.112 0.000 1.009 687 T CB 2.055 71.067 68.868 0.240 0.000 1.118 687 T HN 0.511 nan 8.240 nan 0.000 0.497 688 T N 1.921 116.425 114.554 -0.083 0.000 2.821 688 T HA 0.304 4.655 4.350 0.001 0.000 0.307 688 T C -0.648 173.891 174.700 -0.268 0.000 1.034 688 T CA -0.397 61.590 62.100 -0.188 0.000 0.953 688 T CB -0.237 68.536 68.868 -0.157 0.000 0.968 688 T HN 0.783 nan 8.240 nan 0.000 0.462 689 H N 3.613 122.350 119.070 -0.556 0.000 2.820 689 H HA 0.470 5.027 4.556 0.001 0.000 0.278 689 H C -0.752 174.239 175.328 -0.562 0.000 1.142 689 H CA -0.686 54.940 56.048 -0.703 0.000 1.346 689 H CB 0.317 29.632 29.762 -0.745 0.000 1.438 689 H HN 0.279 nan 8.280 nan 0.000 0.473 690 V N 5.463 125.286 119.914 -0.151 0.000 2.318 690 V HA 0.281 4.402 4.120 0.001 0.000 0.271 690 V C 0.667 176.755 176.094 -0.011 0.000 1.030 690 V CA -0.574 61.645 62.300 -0.135 0.000 0.844 690 V CB 0.437 32.192 31.823 -0.113 0.000 1.015 690 V HN 0.903 nan 8.190 nan 0.000 0.460 691 A N 6.747 129.513 122.820 -0.089 0.000 2.475 691 A HA 0.638 4.958 4.320 0.001 0.000 0.239 691 A C 0.505 178.113 177.584 0.040 0.000 1.087 691 A CA 0.027 52.075 52.037 0.017 0.000 0.779 691 A CB 0.307 19.256 19.000 -0.085 0.000 1.036 691 A HN 1.007 nan 8.150 nan 0.000 0.506 692 R N -0.551 120.004 120.500 0.092 0.000 2.680 692 R HA 0.636 4.977 4.340 0.001 0.000 0.269 692 R C 0.449 176.801 176.300 0.087 0.000 1.026 692 R CA -0.231 55.908 56.100 0.065 0.000 0.889 692 R CB 1.145 31.489 30.300 0.073 0.000 1.241 692 R HN 0.781 nan 8.270 nan 0.000 0.463 693 A N 1.415 124.271 122.820 0.060 0.000 1.958 693 A HA -0.245 4.076 4.320 0.001 0.000 0.221 693 A C 1.485 179.148 177.584 0.131 0.000 1.178 693 A CA 2.110 54.200 52.037 0.088 0.000 0.642 693 A CB -0.677 18.353 19.000 0.051 0.000 0.816 693 A HN 0.865 nan 8.150 nan 0.000 0.453 694 E N 0.145 120.406 120.200 0.101 0.000 2.331 694 E HA -0.156 4.195 4.350 0.001 0.000 0.199 694 E C 1.329 177.996 176.600 0.111 0.000 1.008 694 E CA 1.354 57.809 56.400 0.092 0.000 0.843 694 E CB -0.202 29.540 29.700 0.071 0.000 0.761 694 E HN 0.810 nan 8.360 nan 0.000 0.507 695 E N -0.990 119.308 120.200 0.163 0.000 2.444 695 E HA 0.041 4.392 4.350 0.001 0.000 0.191 695 E C -0.378 176.381 176.600 0.265 0.000 1.041 695 E CA -0.283 56.230 56.400 0.188 0.000 0.883 695 E CB 0.373 30.225 29.700 0.253 0.000 1.024 695 E HN 0.195 nan 8.360 nan 0.000 0.470 696 W N 1.731 123.039 121.300 0.014 0.000 2.915 696 W HA 0.245 4.905 4.660 0.001 0.000 0.337 696 W C -2.234 174.293 176.519 0.013 0.000 1.102 696 W CA -2.072 55.276 57.345 0.005 0.000 1.224 696 W CB 1.633 31.096 29.460 0.004 0.000 1.416 696 W HN -0.137 nan 8.180 nan 0.000 0.503 697 P HA 0.030 nan 4.420 nan 0.000 0.230 697 P C 0.129 177.033 177.300 -0.660 0.000 1.158 697 P CA 0.941 63.268 63.100 -1.287 0.000 0.769 697 P CB 1.397 32.536 31.700 -0.936 0.000 0.807 698 I N -0.410 119.978 120.570 -0.304 0.000 2.647 698 I HA 0.308 4.479 4.170 0.001 0.000 0.295 698 I C -0.627 175.420 176.117 -0.118 0.000 1.078 698 I CA -1.726 59.419 61.300 -0.258 0.000 1.048 698 I CB 2.347 40.196 38.000 -0.250 0.000 1.239 698 I HN -0.317 nan 8.210 nan 0.000 0.421 699 M N 8.278 127.807 119.600 -0.119 0.000 2.146 699 M HA 0.376 4.857 4.480 0.001 0.000 0.357 699 M C -2.413 173.826 176.300 -0.101 0.000 1.261 699 M CA -1.532 53.735 55.300 -0.054 0.000 1.106 699 M CB 0.398 32.987 32.600 -0.018 0.000 1.612 699 M HN 0.245 nan 8.290 nan 0.000 0.470 700 P HA 0.058 nan 4.420 nan 0.000 0.271 700 P C -0.618 176.593 177.300 -0.148 0.000 1.216 700 P CA -0.028 63.023 63.100 -0.081 0.000 0.771 700 P CB 0.405 32.080 31.700 -0.043 0.000 0.864 701 T N 3.939 118.400 114.554 -0.155 0.000 2.871 701 T HA 0.042 4.392 4.350 0.001 0.000 0.296 701 T C 0.240 174.754 174.700 -0.310 0.000 0.998 701 T CA 0.215 62.145 62.100 -0.283 0.000 1.162 701 T CB -0.164 68.561 68.868 -0.238 0.000 0.947 701 T HN 0.314 nan 8.240 nan 0.000 0.536 702 E N 2.435 122.342 120.200 -0.488 0.000 2.179 702 E HA 0.336 4.687 4.350 0.001 0.000 0.275 702 E C -0.858 175.450 176.600 -0.487 0.000 0.945 702 E CA -0.469 55.654 56.400 -0.461 0.000 0.792 702 E CB 1.553 30.784 29.700 -0.783 0.000 1.125 702 E HN 0.598 nan 8.360 nan 0.000 0.397 703 W N 1.405 122.571 121.300 -0.222 0.000 2.706 703 W HA 0.508 5.168 4.660 0.001 0.000 0.346 703 W C -0.319 175.985 176.519 -0.359 0.000 1.071 703 W CA -0.812 56.385 57.345 -0.246 0.000 1.206 703 W CB 1.490 30.844 29.460 -0.176 0.000 1.413 703 W HN 0.199 nan 8.180 nan 0.000 0.542 704 V N -0.408 119.420 119.914 -0.144 0.000 2.789 704 V HA 0.615 4.736 4.120 0.001 0.000 0.311 704 V C -0.788 175.081 176.094 -0.374 0.000 1.073 704 V CA -0.932 61.208 62.300 -0.267 0.000 0.921 704 V CB 1.649 33.504 31.823 0.052 0.000 1.009 704 V HN 0.641 nan 8.190 nan 0.000 0.426 705 H N 2.493 121.590 119.070 0.045 0.000 2.569 705 H HA 0.828 5.385 4.556 0.001 0.000 0.357 705 H C -0.194 175.088 175.328 -0.078 0.000 1.153 705 H CA -0.043 55.976 56.048 -0.048 0.000 1.193 705 H CB 2.238 31.943 29.762 -0.095 0.000 1.602 705 H HN 1.003 nan 8.280 nan 0.000 0.523 706 T N -0.086 114.450 114.554 -0.029 0.000 2.906 706 T HA 0.623 4.973 4.350 0.001 0.000 0.295 706 T C -0.834 173.772 174.700 -0.156 0.000 1.075 706 T CA -0.863 61.177 62.100 -0.100 0.000 1.005 706 T CB 1.981 70.759 68.868 -0.150 0.000 1.136 706 T HN 0.262 nan 8.240 nan 0.000 0.498 707 L N 1.005 122.139 121.223 -0.149 0.000 2.466 707 L HA 0.702 5.042 4.340 0.001 0.000 0.258 707 L C -1.742 175.061 176.870 -0.112 0.000 0.973 707 L CA -0.899 53.851 54.840 -0.150 0.000 0.826 707 L CB 2.224 44.214 42.059 -0.114 0.000 1.372 707 L HN 0.819 nan 8.230 nan 0.000 0.409 708 L N 4.122 125.288 121.223 -0.095 0.000 2.377 708 L HA 0.538 4.878 4.340 0.001 0.000 0.270 708 L C -0.725 176.236 176.870 0.153 0.000 0.991 708 L CA -0.588 54.276 54.840 0.041 0.000 0.851 708 L CB 1.404 43.454 42.059 -0.015 0.000 1.218 708 L HN 0.489 nan 8.230 nan 0.000 0.420 709 K N 4.484 124.964 120.400 0.133 0.000 2.221 709 K HA 0.483 4.803 4.320 0.001 0.000 0.258 709 K C -2.562 173.831 176.600 -0.344 0.000 0.944 709 K CA -1.820 54.459 56.287 -0.014 0.000 0.823 709 K CB 1.977 34.486 32.500 0.015 0.000 1.113 709 K HN 0.210 nan 8.250 nan 0.000 0.431 710 P HA -0.068 nan 4.420 nan 0.000 0.271 710 P C -0.959 176.159 177.300 -0.303 0.000 1.226 710 P CA -0.057 62.380 63.100 -1.105 0.000 0.765 710 P CB 0.523 31.754 31.700 -0.782 0.000 0.835 711 W N 6.169 127.266 121.300 -0.339 0.000 2.363 711 W HA 0.159 4.819 4.660 0.001 0.000 0.314 711 W C -0.245 176.234 176.519 -0.066 0.000 0.994 711 W CA -0.276 56.989 57.345 -0.133 0.000 1.449 711 W CB -0.083 29.325 29.460 -0.087 0.000 1.248 711 W HN 0.546 nan 8.180 nan 0.000 0.409 712 N N 3.373 121.986 118.700 -0.146 0.000 2.741 712 N HA -0.330 4.410 4.740 0.001 0.000 0.251 712 N C 0.416 175.909 175.510 -0.028 0.000 1.112 712 N CA 1.525 54.531 53.050 -0.073 0.000 0.750 712 N CB -1.979 36.506 38.487 -0.004 0.000 1.119 712 N HN 0.538 nan 8.380 nan 0.000 0.561 713 F N 0.006 119.800 119.950 -0.259 0.000 2.259 713 F HA 0.160 4.688 4.527 0.001 0.000 0.298 713 F C 0.739 176.175 175.800 -0.606 0.000 1.088 713 F CA 0.869 58.595 58.000 -0.456 0.000 1.358 713 F CB 0.195 38.787 39.000 -0.681 0.000 1.040 713 F HN -0.033 nan 8.300 nan 0.000 0.505 714 F N 0.101 120.094 119.950 0.072 0.000 2.518 714 F HA 0.277 4.805 4.527 0.001 0.000 0.338 714 F C 1.232 176.999 175.800 -0.055 0.000 1.065 714 F CA -0.993 57.005 58.000 -0.003 0.000 1.012 714 F CB 0.342 39.339 39.000 -0.005 0.000 1.297 714 F HN -0.294 nan 8.300 nan 0.000 0.489 715 D N -0.429 120.068 120.400 0.160 0.000 2.379 715 D HA 0.082 4.723 4.640 0.001 0.000 0.208 715 D C 0.052 176.362 176.300 0.017 0.000 1.065 715 D CA 0.545 54.572 54.000 0.046 0.000 0.848 715 D CB 0.527 41.341 40.800 0.024 0.000 0.949 715 D HN 0.753 nan 8.370 nan 0.000 0.509 716 E N -1.290 118.929 120.200 0.032 0.000 2.415 716 E HA 0.245 4.595 4.350 0.001 0.000 0.271 716 E C -1.090 175.478 176.600 -0.054 0.000 1.094 716 E CA -0.830 55.553 56.400 -0.029 0.000 0.881 716 E CB 0.263 29.938 29.700 -0.042 0.000 1.581 716 E HN -0.342 nan 8.360 nan 0.000 0.460 717 T N 2.860 117.357 114.554 -0.095 0.000 2.738 717 T HA 0.021 4.371 4.350 0.001 0.000 0.277 717 T C -1.822 172.806 174.700 -0.119 0.000 0.981 717 T CA -0.376 61.658 62.100 -0.110 0.000 1.211 717 T CB 0.064 68.832 68.868 -0.167 0.000 0.932 717 T HN 0.314 nan 8.240 nan 0.000 0.522 718 P HA -0.131 nan 4.420 nan 0.000 0.217 718 P C 1.481 178.666 177.300 -0.192 0.000 1.151 718 P CA 1.103 63.974 63.100 -0.381 0.000 0.849 718 P CB -0.017 31.348 31.700 -0.559 0.000 0.787 719 T N -4.798 109.732 114.554 -0.041 0.000 3.163 719 T HA 0.205 4.556 4.350 0.001 0.000 0.252 719 T C 1.507 176.272 174.700 0.108 0.000 1.056 719 T CA -0.213 61.909 62.100 0.037 0.000 0.947 719 T CB -0.884 68.035 68.868 0.085 0.000 1.016 719 T HN -0.012 nan 8.240 nan 0.000 0.554 720 L N 1.219 122.479 121.223 0.062 0.000 2.081 720 L HA 0.141 4.482 4.340 0.001 0.000 0.212 720 L C 1.619 178.519 176.870 0.050 0.000 1.080 720 L CA 1.576 56.455 54.840 0.064 0.000 0.754 720 L CB -0.918 41.129 42.059 -0.020 0.000 0.893 720 L HN 0.788 nan 8.230 nan 0.000 0.433 721 G N -2.031 106.773 108.800 0.008 0.000 2.497 721 G HA2 0.076 4.037 3.960 0.001 0.000 0.686 721 G HA3 0.076 4.037 3.960 0.001 0.000 0.686 721 G C -0.577 174.314 174.900 -0.016 0.000 1.288 721 G CA -0.630 44.466 45.100 -0.007 0.000 0.899 721 G HN 0.389 nan 8.290 nan 0.000 0.608 722 A N -0.463 122.345 122.820 -0.020 0.000 2.477 722 A HA 0.563 4.883 4.320 0.001 0.000 0.246 722 A C 0.433 178.009 177.584 -0.013 0.000 1.078 722 A CA 0.244 52.270 52.037 -0.019 0.000 0.770 722 A CB 0.748 19.735 19.000 -0.022 0.000 1.011 722 A HN 1.895 nan 8.150 nan 0.000 0.494 723 L N 2.511 123.727 121.223 -0.012 0.000 2.315 723 L HA 0.253 4.594 4.340 0.001 0.000 0.283 723 L C 1.197 178.062 176.870 -0.009 0.000 1.089 723 L CA 0.504 55.338 54.840 -0.010 0.000 0.833 723 L CB 0.645 42.698 42.059 -0.010 0.000 1.170 723 L HN 0.821 nan 8.230 nan 0.000 0.442 724 K N 2.664 123.059 120.400 -0.008 0.000 2.432 724 K HA -0.021 4.300 4.320 0.001 0.000 0.196 724 K C 0.297 176.892 176.600 -0.008 0.000 1.038 724 K CA 0.575 56.857 56.287 -0.008 0.000 0.986 724 K CB 0.150 32.646 32.500 -0.007 0.000 0.782 724 K HN 0.558 nan 8.250 nan 0.000 0.485 725 K N 0.000 120.395 120.400 -0.008 0.000 2.780 725 K HA 0.000 4.321 4.320 0.001 0.000 0.191 725 K CA 0.000 56.282 56.287 -0.008 0.000 0.838 725 K CB 0.000 32.495 32.500 -0.009 0.000 1.064 725 K HN 0.000 nan 8.250 nan 0.000 0.543