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 3gme_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLNPIVRKFQ YGQHTVTLET GMMARQATAA VMVSMDDTAV FVTVVGQKKA DATA SEQUENCE KPGQDFFPLT VNYQERTYAA GRIPGSFXXX XXRPSEGETL IARLIDRPIR DATA SEQUENCE PLFPEGFVNE VQVIATVVSV NPQVNPDIVA MIGASAALSL SGIPFNGPIG DATA SEQUENCE AARVGYINDQ YVLNPTQDEL KESKLDLVVA GTEAAVLMVE SEAELLSEDQ DATA SEQUENCE MLGAVVFGHE QQQVVIQNIN ELVKEAGKPR WDWQPEPVNE ALNARVXXXX DATA SEQUENCE XXXXXXXXXX TDKQERYXXX XXXXXXXXXX XXXXXXXXXX XXXXXXLHAI DATA SEQUENCE EKNVVRSRVL AGEPRIDGRE KDMIRGLDVR TGVLPRTHGS ALFTRGETQA DATA SEQUENCE LVTATLGTXX XXXXXXXXXX XXXDTFLFHY NFPPYSVGET GMVGSPKRRE DATA SEQUENCE IGHGRLAKRG VLAVMPDMDK FPYTVRVVSE ITESNGSSSM ASVCGASLAL DATA SEQUENCE MDAGVPIKAA VAGIAMGLVK EGDNYVVLSD ILGDEDHLGD MDFKVAGSRD DATA SEQUENCE GISALQMDIK IEGITKEIMQ VALNQAKGAR LHILGVMEQA INAPR 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.308 176.300 0.013 0.000 1.140 1 M CA 0.000 55.306 55.300 0.010 0.000 0.988 1 M CB 0.000 32.606 32.600 0.009 0.000 1.302 2 L N 5.060 126.291 121.223 0.013 0.000 2.295 2 L HA 0.601 4.942 4.340 0.001 0.000 0.285 2 L C -0.549 176.332 176.870 0.018 0.000 1.035 2 L CA -0.206 54.644 54.840 0.017 0.000 0.806 2 L CB 1.609 43.678 42.059 0.016 0.000 1.214 2 L HN 0.548 nan 8.230 nan 0.000 0.426 3 N N 3.602 122.316 118.700 0.022 0.000 2.491 3 N HA 0.408 5.149 4.740 0.001 0.000 0.274 3 N C -2.695 172.832 175.510 0.028 0.000 1.023 3 N CA -1.197 51.867 53.050 0.023 0.000 0.902 3 N CB 2.030 40.529 38.487 0.020 0.000 1.267 3 N HN 0.275 nan 8.380 nan 0.000 0.503 4 P HA 0.377 nan 4.420 nan 0.000 0.287 4 P C -0.332 176.989 177.300 0.034 0.000 1.281 4 P CA -0.438 62.683 63.100 0.036 0.000 0.781 4 P CB 0.804 32.526 31.700 0.036 0.000 0.903 5 I N 3.953 124.545 120.570 0.037 0.000 2.301 5 I HA 0.183 4.353 4.170 0.001 0.000 0.292 5 I C 0.098 176.239 176.117 0.039 0.000 1.046 5 I CA -0.276 61.044 61.300 0.033 0.000 1.282 5 I CB 0.985 39.003 38.000 0.029 0.000 1.409 5 I HN 0.068 nan 8.210 nan 0.000 0.484 6 V N 6.974 126.912 119.914 0.039 0.000 2.495 6 V HA 0.585 4.705 4.120 0.001 0.000 0.298 6 V C -0.108 176.018 176.094 0.054 0.000 1.031 6 V CA -0.823 61.506 62.300 0.047 0.000 0.871 6 V CB 1.921 33.770 31.823 0.043 0.000 0.988 6 V HN 0.677 nan 8.190 nan 0.000 0.432 7 R N 3.551 124.095 120.500 0.074 0.000 2.502 7 R HA 0.575 4.916 4.340 0.001 0.000 0.300 7 R C -0.989 175.405 176.300 0.156 0.000 0.984 7 R CA -0.638 55.522 56.100 0.100 0.000 0.882 7 R CB 1.522 31.876 30.300 0.089 0.000 1.180 7 R HN 0.727 nan 8.270 nan 0.000 0.444 8 K N 4.117 124.605 120.400 0.146 0.000 2.156 8 K HA 0.510 4.831 4.320 0.001 0.000 0.254 8 K C -1.169 175.578 176.600 0.246 0.000 0.950 8 K CA -0.677 55.687 56.287 0.128 0.000 0.849 8 K CB 1.480 34.011 32.500 0.052 0.000 1.100 8 K HN 0.442 nan 8.250 nan 0.000 0.434 9 F N -1.641 118.323 119.950 0.023 0.000 2.665 9 F HA 0.296 4.824 4.527 0.001 0.000 0.308 9 F C -1.047 174.791 175.800 0.063 0.000 1.112 9 F CA -1.302 56.714 58.000 0.026 0.000 0.972 9 F CB 1.076 40.075 39.000 -0.002 0.000 1.295 9 F HN 0.157 nan 8.300 nan 0.000 0.440 10 Q N 2.246 122.147 119.800 0.169 0.000 2.304 10 Q HA 0.157 4.498 4.340 0.001 0.000 0.260 10 Q C -1.718 174.439 176.000 0.262 0.000 0.965 10 Q CA 0.026 55.899 55.803 0.117 0.000 0.898 10 Q CB 1.470 30.272 28.738 0.106 0.000 1.196 10 Q HN 0.783 nan 8.270 nan 0.000 0.402 11 Y N 2.095 122.395 120.300 0.000 0.000 2.535 11 Y HA 0.381 4.932 4.550 0.001 0.000 0.341 11 Y C 0.640 176.573 175.900 0.055 0.000 1.041 11 Y CA 0.220 58.360 58.100 0.067 0.000 1.307 11 Y CB 0.299 38.789 38.460 0.050 0.000 1.095 11 Y HN 0.853 nan 8.280 nan 0.000 0.534 12 G N 3.542 112.302 108.800 -0.066 0.000 2.720 12 G HA2 -0.287 3.674 3.960 0.001 0.000 0.293 12 G HA3 -0.287 3.674 3.960 0.001 0.000 0.293 12 G C 0.554 175.370 174.900 -0.140 0.000 1.256 12 G CA 0.591 45.601 45.100 -0.150 0.000 0.974 12 G HN 0.428 nan 8.290 nan 0.000 0.551 13 Q N 1.733 121.357 119.800 -0.292 0.000 2.194 13 Q HA 0.247 4.588 4.340 0.001 0.000 0.214 13 Q C 0.299 175.997 176.000 -0.503 0.000 0.838 13 Q CA 0.356 55.925 55.803 -0.391 0.000 0.972 13 Q CB 0.757 29.224 28.738 -0.452 0.000 1.131 13 Q HN 0.800 nan 8.270 nan 0.000 0.498 14 H N -0.314 118.738 119.070 -0.030 0.000 2.797 14 H HA 0.490 5.046 4.556 0.001 0.000 0.362 14 H C -0.397 174.904 175.328 -0.046 0.000 1.183 14 H CA -0.451 55.580 56.048 -0.030 0.000 1.197 14 H CB 1.615 31.361 29.762 -0.026 0.000 1.835 14 H HN -0.225 nan 8.280 nan 0.000 0.567 15 T N 1.859 116.452 114.554 0.066 0.000 2.791 15 T HA 0.283 4.634 4.350 0.001 0.000 0.288 15 T C 0.059 174.665 174.700 -0.157 0.000 0.999 15 T CA -0.641 61.421 62.100 -0.064 0.000 0.952 15 T CB 0.907 69.755 68.868 -0.033 0.000 0.938 15 T HN 0.175 nan 8.240 nan 0.000 0.444 16 V N 4.464 124.122 119.914 -0.426 0.000 2.364 16 V HA 0.357 4.478 4.120 0.001 0.000 0.272 16 V C 0.500 176.377 176.094 -0.361 0.000 1.036 16 V CA -0.521 61.487 62.300 -0.486 0.000 0.880 16 V CB 1.065 32.395 31.823 -0.821 0.000 0.991 16 V HN 0.945 nan 8.190 nan 0.000 0.460 17 T N 7.109 121.586 114.554 -0.128 0.000 2.795 17 T HA 0.664 5.015 4.350 0.001 0.000 0.282 17 T C -0.348 174.373 174.700 0.034 0.000 0.980 17 T CA -0.297 61.790 62.100 -0.022 0.000 1.012 17 T CB 0.916 69.782 68.868 -0.002 0.000 0.936 17 T HN 0.355 nan 8.240 nan 0.000 0.457 18 L N 3.108 124.379 121.223 0.080 0.000 2.319 18 L HA 0.522 4.862 4.340 0.001 0.000 0.281 18 L C 0.139 177.052 176.870 0.071 0.000 1.005 18 L CA -0.602 54.289 54.840 0.085 0.000 0.828 18 L CB 1.673 43.800 42.059 0.114 0.000 1.227 18 L HN 0.613 nan 8.230 nan 0.000 0.415 19 E N 2.301 122.544 120.200 0.071 0.000 2.199 19 E HA 0.614 4.964 4.350 0.001 0.000 0.269 19 E C -1.190 175.454 176.600 0.073 0.000 0.899 19 E CA -0.273 56.171 56.400 0.073 0.000 0.772 19 E CB 2.248 31.999 29.700 0.085 0.000 1.155 19 E HN 0.503 nan 8.360 nan 0.000 0.408 20 T N 1.342 115.933 114.554 0.061 0.000 2.754 20 T HA 0.544 4.894 4.350 0.001 0.000 0.296 20 T C 0.128 174.861 174.700 0.055 0.000 1.205 20 T CA 0.366 62.499 62.100 0.054 0.000 1.009 20 T CB 1.157 70.040 68.868 0.025 0.000 1.368 20 T HN 0.800 nan 8.240 nan 0.000 0.509 21 G N 1.036 109.867 108.800 0.053 0.000 2.198 21 G HA2 -0.230 3.731 3.960 0.001 0.000 0.260 21 G HA3 -0.230 3.731 3.960 0.001 0.000 0.260 21 G C 0.327 175.259 174.900 0.055 0.000 1.025 21 G CA 1.092 46.222 45.100 0.049 0.000 0.769 21 G HN 0.786 nan 8.290 nan 0.000 0.507 22 M N -1.875 117.768 119.600 0.073 0.000 2.102 22 M HA 0.459 4.940 4.480 0.001 0.000 0.199 22 M C 0.733 177.083 176.300 0.083 0.000 1.558 22 M CA 0.142 55.482 55.300 0.066 0.000 0.982 22 M CB 0.627 33.261 32.600 0.058 0.000 1.521 22 M HN 0.165 nan 8.290 nan 0.000 0.571 23 M N 1.720 121.399 119.600 0.132 0.000 2.277 23 M HA 0.419 4.900 4.480 0.001 0.000 0.350 23 M C 0.486 176.941 176.300 0.260 0.000 1.180 23 M CA -0.030 55.370 55.300 0.166 0.000 1.103 23 M CB 1.239 33.940 32.600 0.169 0.000 1.577 23 M HN 0.444 nan 8.290 nan 0.000 0.459 24 A N 2.275 125.223 122.820 0.212 0.000 2.416 24 A HA -0.204 4.117 4.320 0.001 0.000 0.293 24 A C 0.834 178.493 177.584 0.126 0.000 1.452 24 A CA 0.755 52.912 52.037 0.200 0.000 0.738 24 A CB -1.339 17.860 19.000 0.331 0.000 1.123 24 A HN 1.009 nan 8.150 nan 0.000 0.389 25 R N -0.506 120.049 120.500 0.091 0.000 2.276 25 R HA -0.040 4.301 4.340 0.001 0.000 0.203 25 R C 1.762 178.099 176.300 0.061 0.000 1.017 25 R CA 1.403 57.544 56.100 0.069 0.000 1.010 25 R CB 0.004 30.338 30.300 0.057 0.000 0.900 25 R HN 0.852 nan 8.270 nan 0.000 0.469 26 Q N 0.085 119.922 119.800 0.062 0.000 2.403 26 Q HA 0.198 4.539 4.340 0.001 0.000 0.203 26 Q C -0.077 175.960 176.000 0.061 0.000 0.932 26 Q CA -0.145 55.692 55.803 0.056 0.000 0.945 26 Q CB 0.919 29.686 28.738 0.049 0.000 1.045 26 Q HN 0.195 nan 8.270 nan 0.000 0.511 27 A N -0.002 122.855 122.820 0.062 0.000 2.293 27 A HA 0.269 4.590 4.320 0.001 0.000 0.302 27 A C 1.043 178.662 177.584 0.058 0.000 1.119 27 A CA -0.465 51.604 52.037 0.052 0.000 0.823 27 A CB 0.712 19.732 19.000 0.033 0.000 1.097 27 A HN 0.148 nan 8.150 nan 0.000 0.491 28 T N 0.856 115.452 114.554 0.069 0.000 2.737 28 T HA 0.168 4.519 4.350 0.001 0.000 0.269 28 T C 0.829 175.556 174.700 0.046 0.000 1.040 28 T CA 1.954 64.112 62.100 0.095 0.000 1.142 28 T CB -0.299 68.637 68.868 0.113 0.000 0.861 28 T HN 1.510 nan 8.240 nan 0.000 0.456 29 A N -0.562 122.255 122.820 -0.006 0.000 2.601 29 A HA 0.794 5.114 4.320 0.001 0.000 0.291 29 A C -1.807 175.724 177.584 -0.088 0.000 1.075 29 A CA -0.378 51.638 52.037 -0.035 0.000 0.671 29 A CB 0.985 19.952 19.000 -0.055 0.000 1.277 29 A HN 0.696 nan 8.150 nan 0.000 0.417 30 A N 0.284 123.036 122.820 -0.113 0.000 2.500 30 A HA 0.624 4.945 4.320 0.001 0.000 0.288 30 A C -1.344 176.107 177.584 -0.221 0.000 1.045 30 A CA -0.257 51.632 52.037 -0.246 0.000 0.830 30 A CB 0.816 19.700 19.000 -0.194 0.000 1.337 30 A HN 1.745 nan 8.150 nan 0.000 0.400 31 V N 2.292 122.027 119.914 -0.299 0.000 2.628 31 V HA 0.657 4.778 4.120 0.001 0.000 0.306 31 V C -0.121 175.900 176.094 -0.123 0.000 1.045 31 V CA -0.572 61.641 62.300 -0.144 0.000 0.905 31 V CB 1.830 33.601 31.823 -0.085 0.000 0.997 31 V HN 0.955 nan 8.190 nan 0.000 0.436 32 M N 5.552 125.213 119.600 0.102 0.000 2.055 32 M HA 0.496 4.977 4.480 0.001 0.000 0.347 32 M C -0.939 175.429 176.300 0.112 0.000 1.123 32 M CA -0.113 55.318 55.300 0.217 0.000 1.035 32 M CB 0.762 33.543 32.600 0.301 0.000 1.484 32 M HN 0.447 nan 8.290 nan 0.000 0.428 33 V N 3.684 123.649 119.914 0.085 0.000 2.439 33 V HA 0.650 4.771 4.120 0.001 0.000 0.282 33 V C -0.147 175.975 176.094 0.047 0.000 1.039 33 V CA -0.572 61.761 62.300 0.055 0.000 0.913 33 V CB 1.324 33.172 31.823 0.041 0.000 0.983 33 V HN 0.847 nan 8.190 nan 0.000 0.460 34 S N 5.497 121.209 115.700 0.020 0.000 2.756 34 S HA 0.495 4.966 4.470 0.001 0.000 0.303 34 S C -0.496 174.084 174.600 -0.034 0.000 1.135 34 S CA -0.452 57.750 58.200 0.003 0.000 1.066 34 S CB 1.238 64.446 63.200 0.013 0.000 1.008 34 S HN 0.788 nan 8.310 nan 0.000 0.482 35 M N 4.068 123.642 119.600 -0.044 0.000 2.111 35 M HA 0.182 4.663 4.480 0.001 0.000 0.351 35 M C -0.406 175.836 176.300 -0.097 0.000 1.214 35 M CA 0.247 55.499 55.300 -0.080 0.000 1.120 35 M CB -0.314 32.227 32.600 -0.099 0.000 1.443 35 M HN 0.710 nan 8.290 nan 0.000 0.429 36 D N 1.990 122.366 120.400 -0.040 0.000 3.996 36 D HA -0.289 4.352 4.640 0.001 0.000 0.140 36 D C 0.221 176.515 176.300 -0.010 0.000 0.829 36 D CA 1.846 55.846 54.000 -0.001 0.000 1.111 36 D CB -0.371 40.452 40.800 0.037 0.000 0.516 36 D HN 0.658 nan 8.370 nan 0.000 0.517 37 D N -0.147 120.245 120.400 -0.013 0.000 2.367 37 D HA 0.117 4.758 4.640 0.001 0.000 0.207 37 D C -0.176 176.120 176.300 -0.006 0.000 1.034 37 D CA 0.549 54.547 54.000 -0.002 0.000 0.861 37 D CB 0.180 40.984 40.800 0.006 0.000 0.943 37 D HN 0.154 nan 8.370 nan 0.000 0.515 38 T N 0.853 115.393 114.554 -0.024 0.000 2.794 38 T HA 0.603 4.954 4.350 0.001 0.000 0.296 38 T C -0.041 174.660 174.700 0.001 0.000 0.949 38 T CA -0.384 61.707 62.100 -0.015 0.000 1.101 38 T CB 1.563 70.412 68.868 -0.032 0.000 0.905 38 T HN -0.002 nan 8.240 nan 0.000 0.516 39 A N 3.121 125.954 122.820 0.020 0.000 2.374 39 A HA 0.746 5.066 4.320 0.001 0.000 0.305 39 A C -0.893 176.727 177.584 0.060 0.000 1.053 39 A CA -0.698 51.366 52.037 0.044 0.000 0.726 39 A CB 1.405 20.438 19.000 0.054 0.000 1.229 39 A HN 0.654 nan 8.150 nan 0.000 0.431 40 V N 2.287 122.250 119.914 0.082 0.000 2.483 40 V HA 0.372 4.493 4.120 0.001 0.000 0.297 40 V C -1.041 175.139 176.094 0.144 0.000 1.027 40 V CA -0.332 62.025 62.300 0.094 0.000 0.855 40 V CB 1.429 33.306 31.823 0.090 0.000 0.995 40 V HN 0.821 nan 8.190 nan 0.000 0.424 41 F N 6.093 126.045 119.950 0.002 0.000 2.404 41 F HA 0.587 5.115 4.527 0.001 0.000 0.359 41 F C -0.054 175.749 175.800 0.005 0.000 1.134 41 F CA -0.318 57.687 58.000 0.009 0.000 1.160 41 F CB 0.863 39.871 39.000 0.014 0.000 1.186 41 F HN 0.284 nan 8.300 nan 0.000 0.526 42 V N 5.023 124.701 119.914 -0.393 0.000 2.398 42 V HA 0.511 4.632 4.120 0.001 0.000 0.286 42 V C -0.092 175.727 176.094 -0.458 0.000 1.026 42 V CA -0.582 61.535 62.300 -0.305 0.000 0.868 42 V CB 1.608 33.340 31.823 -0.151 0.000 0.982 42 V HN 0.802 nan 8.190 nan 0.000 0.443 43 T N 1.533 115.902 114.554 -0.309 0.000 2.876 43 T HA 0.813 5.164 4.350 0.001 0.000 0.289 43 T C -0.897 173.724 174.700 -0.131 0.000 1.014 43 T CA -0.777 61.176 62.100 -0.244 0.000 0.986 43 T CB 1.895 70.659 68.868 -0.174 0.000 1.021 43 T HN 0.304 nan 8.240 nan 0.000 0.458 44 V N 2.512 122.361 119.914 -0.108 0.000 2.531 44 V HA 0.589 4.710 4.120 0.001 0.000 0.301 44 V C -0.665 175.408 176.094 -0.035 0.000 1.034 44 V CA -0.768 61.487 62.300 -0.076 0.000 0.865 44 V CB 1.939 33.697 31.823 -0.109 0.000 0.995 44 V HN 0.916 nan 8.190 nan 0.000 0.424 45 V N 3.781 123.688 119.914 -0.012 0.000 2.407 45 V HA 0.756 4.876 4.120 0.001 0.000 0.291 45 V C 0.547 176.667 176.094 0.044 0.000 1.018 45 V CA -0.336 61.982 62.300 0.030 0.000 0.842 45 V CB 1.763 33.606 31.823 0.032 0.000 0.996 45 V HN 0.949 nan 8.190 nan 0.000 0.426 46 G N 3.472 112.334 108.800 0.104 0.000 2.417 46 G HA2 0.540 4.501 3.960 0.001 0.000 0.320 46 G HA3 0.540 4.501 3.960 0.001 0.000 0.320 46 G C -0.638 174.487 174.900 0.376 0.000 1.204 46 G CA -0.489 44.704 45.100 0.155 0.000 0.923 46 G HN 0.619 nan 8.290 nan 0.000 0.466 47 Q N 1.412 121.373 119.800 0.268 0.000 2.332 47 Q HA 0.109 4.450 4.340 0.001 0.000 0.263 47 Q C 0.779 176.980 176.000 0.334 0.000 0.979 47 Q CA -0.443 55.496 55.803 0.227 0.000 0.885 47 Q CB 1.623 30.411 28.738 0.083 0.000 1.218 47 Q HN 0.425 nan 8.270 nan 0.000 0.405 48 K N 1.798 122.284 120.400 0.144 0.000 2.097 48 K HA -0.048 4.273 4.320 0.001 0.000 0.205 48 K C 0.036 176.640 176.600 0.007 0.000 1.050 48 K CA 1.332 57.568 56.287 -0.084 0.000 0.938 48 K CB 0.172 32.563 32.500 -0.183 0.000 0.718 48 K HN 0.436 nan 8.250 nan 0.000 0.442 49 K N 0.176 120.597 120.400 0.035 0.000 2.270 49 K HA 0.435 4.756 4.320 0.001 0.000 0.255 49 K C -0.913 175.701 176.600 0.023 0.000 0.936 49 K CA -0.482 55.826 56.287 0.035 0.000 0.809 49 K CB 2.235 34.740 32.500 0.009 0.000 1.131 49 K HN -0.056 nan 8.250 nan 0.000 0.427 50 A N 1.735 124.568 122.820 0.021 0.000 2.340 50 A HA 0.258 4.579 4.320 0.001 0.000 0.268 50 A C -0.163 177.402 177.584 -0.032 0.000 1.100 50 A CA -0.567 51.453 52.037 -0.028 0.000 0.803 50 A CB 0.411 19.399 19.000 -0.020 0.000 1.043 50 A HN 0.459 nan 8.150 nan 0.000 0.488 51 K N 2.406 122.768 120.400 -0.064 0.000 2.355 51 K HA 0.208 4.529 4.320 0.001 0.000 0.270 51 K C -1.678 174.895 176.600 -0.044 0.000 1.003 51 K CA -0.540 55.713 56.287 -0.057 0.000 0.957 51 K CB 0.265 32.715 32.500 -0.084 0.000 0.939 51 K HN 0.721 nan 8.250 nan 0.000 0.482 52 P HA -0.143 nan 4.420 nan 0.000 0.208 52 P C 0.766 178.054 177.300 -0.019 0.000 1.180 52 P CA 1.365 64.454 63.100 -0.018 0.000 0.935 52 P CB -0.048 31.644 31.700 -0.013 0.000 0.785 53 G N 0.292 109.078 108.800 -0.022 0.000 4.198 53 G HA2 0.083 4.044 3.960 0.001 0.000 0.282 53 G HA3 0.083 4.044 3.960 0.001 0.000 0.282 53 G C -0.084 174.796 174.900 -0.034 0.000 1.262 53 G CA -0.178 44.912 45.100 -0.016 0.000 1.473 53 G HN 0.093 nan 8.290 nan 0.000 0.624 54 Q N 1.014 120.777 119.800 -0.062 0.000 2.279 54 Q HA 0.129 4.470 4.340 0.001 0.000 0.256 54 Q C 0.242 176.199 176.000 -0.071 0.000 0.937 54 Q CA -0.206 55.522 55.803 -0.125 0.000 0.933 54 Q CB 2.029 30.653 28.738 -0.190 0.000 1.189 54 Q HN 0.616 nan 8.270 nan 0.000 0.417 55 D N 1.772 122.147 120.400 -0.041 0.000 2.388 55 D HA 0.019 4.659 4.640 0.001 0.000 0.208 55 D C 0.537 176.938 176.300 0.168 0.000 1.035 55 D CA 0.397 54.448 54.000 0.084 0.000 0.875 55 D CB 0.056 40.947 40.800 0.152 0.000 0.984 55 D HN 0.343 nan 8.370 nan 0.000 0.508 56 F N -1.017 118.951 119.950 0.030 0.000 2.640 56 F HA 0.633 5.161 4.527 0.001 0.000 0.324 56 F C -1.122 174.723 175.800 0.076 0.000 1.077 56 F CA -2.306 55.727 58.000 0.055 0.000 0.965 56 F CB 0.992 40.011 39.000 0.032 0.000 1.351 56 F HN -0.234 nan 8.300 nan 0.000 0.487 57 F N 4.008 124.028 119.950 0.117 0.000 2.404 57 F HA 0.613 5.140 4.527 0.001 0.000 0.358 57 F C -2.627 173.206 175.800 0.054 0.000 1.120 57 F CA -3.480 54.491 58.000 -0.047 0.000 1.144 57 F CB 0.775 39.766 39.000 -0.015 0.000 1.133 57 F HN 0.230 nan 8.300 nan 0.000 0.495 58 P HA 0.254 nan 4.420 nan 0.000 0.283 58 P C -1.271 175.532 177.300 -0.828 0.000 1.412 58 P CA -0.235 62.567 63.100 -0.497 0.000 0.912 58 P CB 1.210 32.670 31.700 -0.399 0.000 1.132 59 L N 3.988 124.789 121.223 -0.702 0.000 2.325 59 L HA 0.546 4.887 4.340 0.001 0.000 0.281 59 L C -0.503 176.237 176.870 -0.216 0.000 1.004 59 L CA 0.151 54.665 54.840 -0.543 0.000 0.823 59 L CB 1.704 43.487 42.059 -0.459 0.000 1.236 59 L HN 0.184 nan 8.230 nan 0.000 0.415 60 T N 4.422 118.884 114.554 -0.155 0.000 2.815 60 T HA 0.516 4.867 4.350 0.001 0.000 0.289 60 T C -0.717 173.959 174.700 -0.039 0.000 1.000 60 T CA -0.415 61.640 62.100 -0.075 0.000 0.958 60 T CB 1.328 70.159 68.868 -0.063 0.000 0.944 60 T HN 0.249 nan 8.240 nan 0.000 0.442 61 V N 4.562 124.469 119.914 -0.012 0.000 2.347 61 V HA 0.395 4.515 4.120 0.001 0.000 0.280 61 V C -0.158 175.956 176.094 0.033 0.000 1.021 61 V CA -0.921 61.388 62.300 0.015 0.000 0.847 61 V CB 0.903 32.743 31.823 0.028 0.000 0.990 61 V HN 0.830 nan 8.190 nan 0.000 0.444 62 N N 3.929 122.654 118.700 0.042 0.000 2.446 62 N HA 0.466 5.207 4.740 0.001 0.000 0.265 62 N C -1.328 174.244 175.510 0.102 0.000 0.975 62 N CA -0.533 52.551 53.050 0.057 0.000 0.928 62 N CB 1.566 40.068 38.487 0.024 0.000 1.160 62 N HN 0.718 nan 8.380 nan 0.000 0.495 63 Y N 2.473 122.768 120.300 -0.009 0.000 2.352 63 Y HA 0.311 4.861 4.550 0.001 0.000 0.339 63 Y C -0.955 174.940 175.900 -0.007 0.000 0.992 63 Y CA -0.575 57.520 58.100 -0.008 0.000 1.100 63 Y CB 0.998 39.452 38.460 -0.011 0.000 1.192 63 Y HN 0.440 nan 8.280 nan 0.000 0.458 64 Q N 4.387 123.838 119.800 -0.583 0.000 2.263 64 Q HA 0.325 4.666 4.340 0.001 0.000 0.262 64 Q C -1.642 174.062 176.000 -0.492 0.000 0.984 64 Q CA -0.970 54.602 55.803 -0.385 0.000 0.813 64 Q CB 2.340 30.972 28.738 -0.177 0.000 1.299 64 Q HN 0.743 nan 8.270 nan 0.000 0.428 65 E N 2.815 122.806 120.200 -0.348 0.000 2.200 65 E HA 0.231 4.582 4.350 0.001 0.000 0.283 65 E C -0.653 175.809 176.600 -0.231 0.000 1.015 65 E CA -0.710 55.528 56.400 -0.269 0.000 0.819 65 E CB 0.839 30.457 29.700 -0.136 0.000 1.081 65 E HN 0.362 nan 8.360 nan 0.000 0.397 66 R N 2.154 122.456 120.500 -0.330 0.000 2.410 66 R HA 0.114 4.455 4.340 0.001 0.000 0.288 66 R C 1.060 177.125 176.300 -0.392 0.000 1.051 66 R CA -0.001 55.827 56.100 -0.454 0.000 1.021 66 R CB 1.057 30.755 30.300 -1.003 0.000 1.032 66 R HN 0.748 nan 8.270 nan 0.000 0.481 67 T N -1.386 113.024 114.554 -0.239 0.000 2.995 67 T HA -0.148 4.203 4.350 0.001 0.000 0.269 67 T C 1.713 176.371 174.700 -0.070 0.000 1.091 67 T CA 1.138 63.172 62.100 -0.110 0.000 1.128 67 T CB -0.362 68.492 68.868 -0.022 0.000 0.891 67 T HN 0.750 nan 8.240 nan 0.000 0.492 68 Y N 0.995 121.287 120.300 -0.014 0.000 2.561 68 Y HA 0.587 5.137 4.550 0.001 0.000 0.291 68 Y C 2.488 178.380 175.900 -0.013 0.000 1.141 68 Y CA -0.284 57.808 58.100 -0.014 0.000 1.303 68 Y CB -0.715 37.733 38.460 -0.018 0.000 1.015 68 Y HN 0.230 nan 8.280 nan 0.000 0.547 69 A N 1.514 124.179 122.820 -0.258 0.000 1.933 69 A HA 0.011 4.332 4.320 0.001 0.000 0.218 69 A C 2.301 179.869 177.584 -0.027 0.000 1.175 69 A CA 1.625 53.582 52.037 -0.134 0.000 0.628 69 A CB -1.090 17.769 19.000 -0.234 0.000 0.814 69 A HN 0.639 nan 8.150 nan 0.000 0.444 70 A N -1.906 120.894 122.820 -0.032 0.000 2.275 70 A HA 0.443 4.764 4.320 0.001 0.000 0.212 70 A C 1.538 179.134 177.584 0.019 0.000 1.201 70 A CA 1.043 53.077 52.037 -0.004 0.000 0.843 70 A CB -0.765 18.228 19.000 -0.012 0.000 0.873 70 A HN 1.929 nan 8.150 nan 0.000 0.492 71 G N -0.229 108.596 108.800 0.042 0.000 2.248 71 G HA2 -0.201 3.760 3.960 0.001 0.000 0.263 71 G HA3 -0.201 3.760 3.960 0.001 0.000 0.263 71 G C -0.065 174.860 174.900 0.043 0.000 1.082 71 G CA 0.180 45.312 45.100 0.054 0.000 0.863 71 G HN 0.613 nan 8.290 nan 0.000 0.495 72 R N -1.183 119.343 120.500 0.044 0.000 2.854 72 R HA 0.745 5.086 4.340 0.001 0.000 0.271 72 R C -0.230 176.096 176.300 0.043 0.000 0.994 72 R CA -1.027 55.092 56.100 0.032 0.000 0.945 72 R CB 1.719 32.029 30.300 0.016 0.000 1.194 72 R HN 0.204 nan 8.270 nan 0.000 0.476 73 I N 2.652 123.241 120.570 0.033 0.000 2.378 73 I HA 0.295 4.466 4.170 0.001 0.000 0.291 73 I C -1.930 174.201 176.117 0.024 0.000 0.992 73 I CA -2.198 59.122 61.300 0.033 0.000 1.154 73 I CB 1.768 39.784 38.000 0.027 0.000 1.315 73 I HN 0.277 nan 8.210 nan 0.000 0.448 74 P HA 0.113 nan 4.420 nan 0.000 0.265 74 P C 0.545 177.854 177.300 0.014 0.000 1.193 74 P CA -0.058 63.052 63.100 0.017 0.000 0.765 74 P CB 0.871 32.581 31.700 0.018 0.000 0.823 75 G N 0.856 109.663 108.800 0.012 0.000 2.535 75 G HA2 -0.041 3.920 3.960 0.001 0.000 0.210 75 G HA3 -0.041 3.920 3.960 0.001 0.000 0.210 75 G C 0.508 175.414 174.900 0.010 0.000 1.593 75 G CA -0.036 45.070 45.100 0.010 0.000 0.948 75 G HN 0.485 nan 8.290 nan 0.000 0.476 76 S N 0.021 115.727 115.700 0.009 0.000 2.562 76 S HA 0.591 5.062 4.470 0.001 0.000 0.246 76 S C -0.336 174.270 174.600 0.009 0.000 1.056 76 S CA -0.125 58.080 58.200 0.009 0.000 1.042 76 S CB -0.481 62.724 63.200 0.008 0.000 0.822 76 S HN 0.635 nan 8.310 nan 0.000 0.465 84 P HA 0.531 nan 4.420 nan 0.000 0.288 84 P C 0.107 177.427 177.300 0.035 0.000 1.267 84 P CA -0.157 62.960 63.100 0.029 0.000 0.815 84 P CB 1.821 33.544 31.700 0.038 0.000 0.989 85 S N 0.839 116.562 115.700 0.039 0.000 2.606 85 S HA 0.054 4.525 4.470 0.001 0.000 0.257 85 S C 1.114 175.739 174.600 0.042 0.000 1.327 85 S CA -0.415 57.808 58.200 0.039 0.000 0.984 85 S CB 0.793 64.016 63.200 0.038 0.000 0.941 85 S HN 0.510 nan 8.310 nan 0.000 0.576 86 E N 0.927 121.150 120.200 0.039 0.000 2.110 86 E HA -0.084 4.267 4.350 0.001 0.000 0.193 86 E C 2.158 178.770 176.600 0.021 0.000 0.988 86 E CA 1.073 57.492 56.400 0.030 0.000 0.804 86 E CB -0.751 28.971 29.700 0.037 0.000 0.745 86 E HN 0.881 nan 8.360 nan 0.000 0.458 87 G N 1.117 109.935 108.800 0.031 0.000 2.408 87 G HA2 -0.259 3.702 3.960 0.001 0.000 0.217 87 G HA3 -0.259 3.702 3.960 0.001 0.000 0.217 87 G C 1.291 176.216 174.900 0.041 0.000 1.150 87 G CA 0.460 45.576 45.100 0.026 0.000 0.776 87 G HN 0.205 nan 8.290 nan 0.000 0.542 88 E N -0.103 120.159 120.200 0.104 0.000 2.152 88 E HA -0.058 4.293 4.350 0.001 0.000 0.192 88 E C 2.687 179.366 176.600 0.132 0.000 0.983 88 E CA 1.290 57.825 56.400 0.226 0.000 0.818 88 E CB -0.020 29.801 29.700 0.202 0.000 0.758 88 E HN 0.363 nan 8.360 nan 0.000 0.467 89 T N 1.137 115.722 114.554 0.053 0.000 2.896 89 T HA -0.034 4.317 4.350 0.001 0.000 0.263 89 T C 1.949 176.627 174.700 -0.036 0.000 1.050 89 T CA 0.544 62.652 62.100 0.013 0.000 1.140 89 T CB -0.056 68.814 68.868 0.003 0.000 0.877 89 T HN 0.057 nan 8.240 nan 0.000 0.457 90 L N 0.247 121.437 121.223 -0.055 0.000 2.056 90 L HA 0.049 4.390 4.340 0.001 0.000 0.207 90 L C 2.367 179.160 176.870 -0.130 0.000 1.078 90 L CA 1.129 55.915 54.840 -0.089 0.000 0.749 90 L CB -0.456 41.555 42.059 -0.079 0.000 0.901 90 L HN 0.238 nan 8.230 nan 0.000 0.433 91 I N -0.417 120.035 120.570 -0.198 0.000 2.439 91 I HA -0.225 3.946 4.170 0.001 0.000 0.251 91 I C 2.715 178.644 176.117 -0.313 0.000 1.139 91 I CA 0.921 62.005 61.300 -0.360 0.000 1.438 91 I CB -0.406 37.145 38.000 -0.748 0.000 1.085 91 I HN 0.173 nan 8.210 nan 0.000 0.427 92 A N 0.771 123.482 122.820 -0.183 0.000 1.972 92 A HA -0.179 4.141 4.320 0.001 0.000 0.219 92 A C 2.397 179.954 177.584 -0.045 0.000 1.169 92 A CA 1.391 53.401 52.037 -0.045 0.000 0.635 92 A CB -0.462 18.563 19.000 0.042 0.000 0.810 92 A HN 0.311 nan 8.150 nan 0.000 0.446 93 R N -0.886 119.574 120.500 -0.067 0.000 2.153 93 R HA 0.125 4.466 4.340 0.001 0.000 0.218 93 R C 1.748 178.016 176.300 -0.054 0.000 1.072 93 R CA 0.747 56.812 56.100 -0.058 0.000 0.990 93 R CB -0.340 29.910 30.300 -0.083 0.000 0.889 93 R HN 0.506 nan 8.270 nan 0.000 0.452 94 L N 0.334 121.510 121.223 -0.079 0.000 2.362 94 L HA -0.096 4.244 4.340 0.001 0.000 0.219 94 L C 1.939 178.786 176.870 -0.038 0.000 1.134 94 L CA 0.973 55.774 54.840 -0.065 0.000 0.807 94 L CB -0.091 41.911 42.059 -0.094 0.000 0.927 94 L HN 0.154 nan 8.230 nan 0.000 0.447 95 I N -1.110 119.438 120.570 -0.036 0.000 2.731 95 I HA -0.143 4.028 4.170 0.001 0.000 0.260 95 I C 2.012 178.153 176.117 0.039 0.000 1.138 95 I CA 0.678 61.979 61.300 0.001 0.000 1.461 95 I CB -0.082 37.918 38.000 -0.000 0.000 1.128 95 I HN 0.113 nan 8.210 nan 0.000 0.438 96 D N 1.129 121.549 120.400 0.034 0.000 2.117 96 D HA -0.147 4.494 4.640 0.001 0.000 0.198 96 D C 2.325 178.680 176.300 0.092 0.000 0.982 96 D CA 1.392 55.433 54.000 0.069 0.000 0.828 96 D CB 0.169 40.991 40.800 0.038 0.000 0.967 96 D HN 0.050 nan 8.370 nan 0.000 0.464 97 R N 0.044 120.576 120.500 0.053 0.000 2.073 97 R HA -0.062 4.279 4.340 0.001 0.000 0.234 97 R C -0.560 175.785 176.300 0.074 0.000 1.134 97 R CA 1.913 58.046 56.100 0.054 0.000 0.952 97 R CB -1.152 29.158 30.300 0.017 0.000 0.850 97 R HN 0.403 nan 8.270 nan 0.000 0.433 98 P HA -0.099 nan 4.420 nan 0.000 0.222 98 P C 1.314 178.680 177.300 0.110 0.000 1.153 98 P CA 1.238 64.380 63.100 0.070 0.000 0.798 98 P CB -0.103 31.633 31.700 0.059 0.000 0.796 99 I N -3.052 117.628 120.570 0.184 0.000 2.716 99 I HA 0.097 4.267 4.170 0.001 0.000 0.259 99 I C 2.682 179.041 176.117 0.403 0.000 1.172 99 I CA 0.490 61.985 61.300 0.326 0.000 1.478 99 I CB -0.556 37.630 38.000 0.309 0.000 1.104 99 I HN -0.270 nan 8.210 nan 0.000 0.439 100 R N 2.099 122.822 120.500 0.373 0.000 2.073 100 R HA -0.042 4.299 4.340 0.001 0.000 0.234 100 R C -0.564 175.956 176.300 0.368 0.000 1.134 100 R CA 1.804 58.189 56.100 0.476 0.000 0.952 100 R CB -1.094 29.399 30.300 0.322 0.000 0.850 100 R HN 0.362 nan 8.270 nan 0.000 0.433 101 P HA 0.001 nan 4.420 nan 0.000 0.253 101 P C 0.607 177.891 177.300 -0.028 0.000 1.260 101 P CA 0.732 63.882 63.100 0.082 0.000 0.800 101 P CB 0.146 31.874 31.700 0.046 0.000 1.162 102 L N -1.946 119.210 121.223 -0.112 0.000 2.463 102 L HA 0.190 4.531 4.340 0.001 0.000 0.219 102 L C 0.847 177.443 176.870 -0.456 0.000 1.088 102 L CA -0.044 54.554 54.840 -0.405 0.000 0.849 102 L CB -0.346 41.223 42.059 -0.816 0.000 1.012 102 L HN -0.162 nan 8.230 nan 0.000 0.468 103 F N 2.393 122.226 119.950 -0.195 0.000 2.543 103 F HA 0.141 4.669 4.527 0.002 0.000 0.375 103 F C -1.423 174.182 175.800 -0.324 0.000 1.075 103 F CA -2.269 55.522 58.000 -0.349 0.000 1.225 103 F CB -0.365 38.314 39.000 -0.535 0.000 1.099 103 F HN -0.128 nan 8.300 nan 0.000 0.561 104 P HA -0.106 nan 4.420 nan 0.000 0.266 104 P C -0.457 176.882 177.300 0.065 0.000 1.193 104 P CA -0.118 62.958 63.100 -0.039 0.000 0.770 104 P CB 0.501 32.221 31.700 0.033 0.000 0.836 105 E N 0.990 121.261 120.200 0.118 0.000 2.292 105 E HA 0.250 4.600 4.350 0.001 0.000 0.265 105 E C 1.028 177.779 176.600 0.252 0.000 1.093 105 E CA 0.651 57.134 56.400 0.138 0.000 0.922 105 E CB -0.778 28.982 29.700 0.100 0.000 1.001 105 E HN 0.764 nan 8.360 nan 0.000 0.444 106 G N 4.275 113.228 108.800 0.254 0.000 2.296 106 G HA2 -0.259 3.702 3.960 0.001 0.000 0.188 106 G HA3 -0.259 3.702 3.960 0.001 0.000 0.188 106 G C -0.159 175.026 174.900 0.475 0.000 1.000 106 G CA -0.319 44.995 45.100 0.357 0.000 0.672 106 G HN 0.548 nan 8.290 nan 0.000 0.483 107 F N 2.009 122.002 119.950 0.070 0.000 2.506 107 F HA 0.536 5.064 4.527 0.002 0.000 0.371 107 F C 1.100 176.841 175.800 -0.099 0.000 1.078 107 F CA 0.466 58.295 58.000 -0.284 0.000 1.195 107 F CB 1.524 40.055 39.000 -0.782 0.000 1.099 107 F HN -0.081 nan 8.300 nan 0.000 0.548 108 V N 4.997 124.643 119.914 -0.447 0.000 3.451 108 V HA 0.058 4.178 4.120 0.001 0.000 0.288 108 V C 0.546 176.433 176.094 -0.346 0.000 1.502 108 V CA -0.277 61.906 62.300 -0.196 0.000 1.026 108 V CB -0.445 31.340 31.823 -0.063 0.000 0.840 108 V HN 0.640 nan 8.190 nan 0.000 0.437 109 N N 2.208 120.451 118.700 -0.762 0.000 2.441 109 N HA 0.022 4.763 4.740 0.001 0.000 0.251 109 N C 0.147 175.462 175.510 -0.325 0.000 1.242 109 N CA 0.290 53.043 53.050 -0.496 0.000 0.898 109 N CB 0.829 39.050 38.487 -0.444 0.000 1.100 109 N HN 0.464 nan 8.380 nan 0.000 0.443 110 E N 1.427 121.506 120.200 -0.202 0.000 2.217 110 E HA 0.165 4.515 4.350 0.001 0.000 0.279 110 E C -1.080 175.440 176.600 -0.134 0.000 1.068 110 E CA -0.309 55.964 56.400 -0.211 0.000 0.882 110 E CB 0.518 30.125 29.700 -0.156 0.000 1.039 110 E HN 0.157 nan 8.360 nan 0.000 0.418 111 V N 5.201 124.986 119.914 -0.215 0.000 2.487 111 V HA 0.273 4.393 4.120 0.001 0.000 0.298 111 V C -0.381 175.624 176.094 -0.149 0.000 1.028 111 V CA -0.732 61.492 62.300 -0.127 0.000 0.860 111 V CB 1.622 33.395 31.823 -0.084 0.000 0.991 111 V HN 0.694 nan 8.190 nan 0.000 0.427 112 Q N 3.146 122.899 119.800 -0.078 0.000 2.321 112 Q HA 0.680 5.021 4.340 0.001 0.000 0.270 112 Q C -1.810 174.166 176.000 -0.040 0.000 1.032 112 Q CA -0.507 55.258 55.803 -0.063 0.000 0.784 112 Q CB 2.363 31.073 28.738 -0.047 0.000 1.264 112 Q HN 0.614 nan 8.270 nan 0.000 0.448 113 V N 5.925 125.820 119.914 -0.032 0.000 2.370 113 V HA 0.466 4.587 4.120 0.001 0.000 0.283 113 V C -0.279 175.806 176.094 -0.014 0.000 1.023 113 V CA -0.498 61.785 62.300 -0.029 0.000 0.857 113 V CB 1.268 33.080 31.823 -0.019 0.000 0.985 113 V HN 0.697 nan 8.190 nan 0.000 0.443 114 I N 4.359 124.914 120.570 -0.025 0.000 2.382 114 I HA 0.689 4.860 4.170 0.001 0.000 0.285 114 I C 0.241 176.347 176.117 -0.018 0.000 1.007 114 I CA -0.427 60.868 61.300 -0.009 0.000 1.142 114 I CB 1.698 39.698 38.000 0.000 0.000 1.289 114 I HN 0.657 nan 8.210 nan 0.000 0.453 115 A N 4.177 127.003 122.820 0.010 0.000 2.273 115 A HA 0.682 5.003 4.320 0.001 0.000 0.315 115 A C -0.247 177.289 177.584 -0.080 0.000 1.256 115 A CA -0.477 51.565 52.037 0.010 0.000 0.851 115 A CB 1.158 20.231 19.000 0.122 0.000 1.172 115 A HN 0.572 nan 8.150 nan 0.000 0.508 116 T N 2.295 116.827 114.554 -0.035 0.000 2.792 116 T HA 0.488 4.839 4.350 0.001 0.000 0.280 116 T C -0.579 174.081 174.700 -0.065 0.000 0.990 116 T CA -0.321 61.727 62.100 -0.087 0.000 0.960 116 T CB 0.486 69.365 68.868 0.017 0.000 0.939 116 T HN 0.518 nan 8.240 nan 0.000 0.439 117 V N 7.160 126.960 119.914 -0.190 0.000 2.439 117 V HA 0.162 4.283 4.120 0.001 0.000 0.271 117 V C 1.540 177.546 176.094 -0.147 0.000 1.040 117 V CA 0.000 62.222 62.300 -0.130 0.000 1.002 117 V CB 0.715 32.443 31.823 -0.157 0.000 1.000 117 V HN 0.880 nan 8.190 nan 0.000 0.477 118 V N 1.479 121.372 119.914 -0.036 0.000 3.523 118 V HA 0.378 4.499 4.120 0.001 0.000 0.255 118 V C 0.651 176.775 176.094 0.050 0.000 1.226 118 V CA 0.345 62.667 62.300 0.038 0.000 1.092 118 V CB 0.389 32.300 31.823 0.145 0.000 0.817 118 V HN 0.665 nan 8.190 nan 0.000 0.458 119 S N -0.609 115.099 115.700 0.013 0.000 2.541 119 S HA 0.775 5.246 4.470 0.001 0.000 0.271 119 S C -1.297 173.301 174.600 -0.003 0.000 1.133 119 S CA -0.328 57.883 58.200 0.018 0.000 0.876 119 S CB 2.669 65.893 63.200 0.040 0.000 1.105 119 S HN 0.440 nan 8.310 nan 0.000 0.470 120 V N 2.993 122.903 119.914 -0.006 0.000 2.655 120 V HA 0.548 4.669 4.120 0.001 0.000 0.301 120 V C -1.408 174.684 176.094 -0.004 0.000 1.082 120 V CA -0.671 61.624 62.300 -0.008 0.000 0.899 120 V CB 1.908 33.722 31.823 -0.015 0.000 1.014 120 V HN 0.878 nan 8.190 nan 0.000 0.429 121 N N 7.203 125.898 118.700 -0.008 0.000 2.472 121 N HA 0.499 5.240 4.740 0.001 0.000 0.277 121 N C -1.863 173.646 175.510 -0.003 0.000 1.081 121 N CA -1.826 51.221 53.050 -0.005 0.000 0.973 121 N CB 2.060 40.540 38.487 -0.012 0.000 1.105 121 N HN 0.373 nan 8.380 nan 0.000 0.470 122 P HA -0.097 nan 4.420 nan 0.000 0.226 122 P C 0.493 177.800 177.300 0.011 0.000 1.146 122 P CA 1.065 64.170 63.100 0.009 0.000 0.773 122 P CB 0.395 32.102 31.700 0.012 0.000 0.772 123 Q N -1.419 118.388 119.800 0.012 0.000 2.394 123 Q HA 0.116 4.457 4.340 0.001 0.000 0.218 123 Q C 0.420 176.423 176.000 0.005 0.000 0.907 123 Q CA 0.559 56.374 55.803 0.021 0.000 0.919 123 Q CB 0.234 28.996 28.738 0.041 0.000 1.051 123 Q HN 0.143 nan 8.270 nan 0.000 0.538 124 V N 3.075 122.970 119.914 -0.032 0.000 2.364 124 V HA 0.190 4.310 4.120 0.001 0.000 0.272 124 V C 0.213 176.277 176.094 -0.050 0.000 1.036 124 V CA -0.823 61.420 62.300 -0.094 0.000 0.880 124 V CB 1.131 32.825 31.823 -0.215 0.000 0.991 124 V HN 0.161 nan 8.190 nan 0.000 0.460 125 N N 7.723 126.405 118.700 -0.030 0.000 2.442 125 N HA 0.181 4.922 4.740 0.001 0.000 0.265 125 N C -1.322 174.192 175.510 0.007 0.000 1.138 125 N CA -1.516 51.532 53.050 -0.002 0.000 0.956 125 N CB 2.040 40.530 38.487 0.005 0.000 1.067 125 N HN 0.345 nan 8.380 nan 0.000 0.474 126 P HA -0.104 nan 4.420 nan 0.000 0.228 126 P C 0.566 177.918 177.300 0.086 0.000 1.151 126 P CA 0.761 63.907 63.100 0.077 0.000 0.770 126 P CB 0.282 32.063 31.700 0.134 0.000 0.786 127 D N 0.227 120.639 120.400 0.020 0.000 2.144 127 D HA -0.154 4.487 4.640 0.001 0.000 0.200 127 D C 1.788 178.075 176.300 -0.021 0.000 0.978 127 D CA 0.938 54.898 54.000 -0.066 0.000 0.833 127 D CB -0.886 39.846 40.800 -0.114 0.000 0.961 127 D HN 0.109 nan 8.370 nan 0.000 0.470 128 I N 0.888 121.468 120.570 0.018 0.000 2.353 128 I HA -0.127 4.043 4.170 0.001 0.000 0.248 128 I C 2.588 178.743 176.117 0.064 0.000 1.119 128 I CA 0.396 61.728 61.300 0.053 0.000 1.417 128 I CB -0.880 37.172 38.000 0.086 0.000 1.078 128 I HN -0.023 nan 8.210 nan 0.000 0.421 129 V N 1.604 121.551 119.914 0.056 0.000 2.407 129 V HA -0.200 3.921 4.120 0.001 0.000 0.248 129 V C 2.834 178.966 176.094 0.063 0.000 1.055 129 V CA 1.720 64.053 62.300 0.055 0.000 1.049 129 V CB -1.274 30.575 31.823 0.044 0.000 0.662 129 V HN 0.430 nan 8.190 nan 0.000 0.455 130 A N -0.666 122.205 122.820 0.084 0.000 1.968 130 A HA -0.117 4.204 4.320 0.001 0.000 0.217 130 A C 2.226 179.841 177.584 0.051 0.000 1.169 130 A CA 1.768 53.866 52.037 0.103 0.000 0.638 130 A CB -0.428 18.703 19.000 0.220 0.000 0.812 130 A HN 0.490 nan 8.150 nan 0.000 0.446 131 M N -0.779 118.840 119.600 0.033 0.000 2.200 131 M HA -0.004 4.477 4.480 0.001 0.000 0.265 131 M C 1.906 178.220 176.300 0.023 0.000 1.066 131 M CA 1.304 56.618 55.300 0.023 0.000 1.127 131 M CB -0.361 32.253 32.600 0.023 0.000 1.379 131 M HN 0.375 nan 8.290 nan 0.000 0.420 132 I N -0.406 120.183 120.570 0.032 0.000 2.315 132 I HA -0.146 4.025 4.170 0.001 0.000 0.248 132 I C 2.541 178.664 176.117 0.010 0.000 1.117 132 I CA 1.215 62.531 61.300 0.026 0.000 1.404 132 I CB -0.812 37.217 38.000 0.048 0.000 1.071 132 I HN 0.346 nan 8.210 nan 0.000 0.419 133 G N 0.529 109.333 108.800 0.007 0.000 2.418 133 G HA2 -0.219 3.742 3.960 0.001 0.000 0.217 133 G HA3 -0.219 3.742 3.960 0.001 0.000 0.217 133 G C 1.842 176.704 174.900 -0.062 0.000 1.158 133 G CA 0.799 45.885 45.100 -0.022 0.000 0.771 133 G HN 0.480 nan 8.290 nan 0.000 0.545 134 A N 0.339 123.126 122.820 -0.054 0.000 1.968 134 A HA 0.090 4.411 4.320 0.001 0.000 0.217 134 A C 2.583 180.076 177.584 -0.153 0.000 1.169 134 A CA 2.063 54.041 52.037 -0.098 0.000 0.638 134 A CB -0.602 18.362 19.000 -0.060 0.000 0.812 134 A HN 0.389 nan 8.150 nan 0.000 0.446 135 S N -0.465 115.187 115.700 -0.079 0.000 2.383 135 S HA 0.019 4.490 4.470 0.001 0.000 0.227 135 S C 2.120 176.680 174.600 -0.065 0.000 1.026 135 S CA 1.421 59.596 58.200 -0.043 0.000 0.981 135 S CB -0.361 62.852 63.200 0.021 0.000 0.818 135 S HN 0.740 nan 8.310 nan 0.000 0.472 136 A N 1.054 123.835 122.820 -0.066 0.000 1.897 136 A HA 0.353 4.674 4.320 0.001 0.000 0.215 136 A C 2.403 179.929 177.584 -0.097 0.000 1.181 136 A CA 1.533 53.533 52.037 -0.061 0.000 0.620 136 A CB -1.212 17.768 19.000 -0.033 0.000 0.821 136 A HN 0.671 nan 8.150 nan 0.000 0.443 137 A N -0.263 122.477 122.820 -0.133 0.000 1.898 137 A HA 0.024 4.345 4.320 0.001 0.000 0.216 137 A C 2.109 179.572 177.584 -0.203 0.000 1.181 137 A CA 1.380 53.323 52.037 -0.155 0.000 0.620 137 A CB -0.582 18.316 19.000 -0.170 0.000 0.819 137 A HN 0.438 nan 8.150 nan 0.000 0.442 138 L N -0.305 120.723 121.223 -0.326 0.000 2.201 138 L HA -0.111 4.230 4.340 0.001 0.000 0.212 138 L C 2.587 179.254 176.870 -0.339 0.000 1.105 138 L CA 1.208 55.737 54.840 -0.517 0.000 0.775 138 L CB -0.134 41.192 42.059 -1.221 0.000 0.913 138 L HN 0.314 nan 8.230 nan 0.000 0.440 139 S N -0.485 115.113 115.700 -0.170 0.000 2.425 139 S HA 0.040 4.511 4.470 0.001 0.000 0.225 139 S C 1.827 176.396 174.600 -0.052 0.000 1.024 139 S CA 0.612 58.793 58.200 -0.033 0.000 0.951 139 S CB 0.026 63.233 63.200 0.011 0.000 0.796 139 S HN 0.280 nan 8.310 nan 0.000 0.498 140 L N 1.912 123.095 121.223 -0.067 0.000 2.418 140 L HA 0.003 4.344 4.340 0.001 0.000 0.218 140 L C 2.519 179.371 176.870 -0.031 0.000 1.125 140 L CA 0.760 55.576 54.840 -0.039 0.000 0.835 140 L CB -0.451 41.587 42.059 -0.036 0.000 0.953 140 L HN 0.381 nan 8.230 nan 0.000 0.454 141 S N -0.580 115.077 115.700 -0.071 0.000 2.368 141 S HA -0.040 4.431 4.470 0.001 0.000 0.224 141 S C 1.788 176.377 174.600 -0.017 0.000 1.029 141 S CA 0.994 59.158 58.200 -0.059 0.000 0.988 141 S CB -0.166 62.945 63.200 -0.148 0.000 0.838 141 S HN 0.497 nan 8.310 nan 0.000 0.462 142 G N 1.076 109.828 108.800 -0.079 0.000 2.232 142 G HA2 -0.207 3.754 3.960 0.001 0.000 0.226 142 G HA3 -0.207 3.754 3.960 0.001 0.000 0.226 142 G C 0.103 174.810 174.900 -0.321 0.000 0.996 142 G CA -0.103 44.990 45.100 -0.013 0.000 0.626 142 G HN 0.589 nan 8.290 nan 0.000 0.509 143 I N 3.975 124.086 120.570 -0.765 0.000 2.741 143 I HA 0.169 4.340 4.170 0.001 0.000 0.288 143 I C -1.351 174.424 176.117 -0.569 0.000 1.192 143 I CA -1.295 59.340 61.300 -1.108 0.000 1.426 143 I CB 0.416 37.864 38.000 -0.920 0.000 1.367 143 I HN -0.017 nan 8.210 nan 0.000 0.563 144 P HA -0.052 nan 4.420 nan 0.000 0.256 144 P C -0.824 176.214 177.300 -0.437 0.000 1.189 144 P CA 0.571 63.397 63.100 -0.457 0.000 0.808 144 P CB -0.096 31.233 31.700 -0.618 0.000 0.793 145 F N 4.163 123.812 119.950 -0.502 0.000 2.689 145 F HA 0.282 4.810 4.527 0.001 0.000 0.332 145 F C -0.051 175.504 175.800 -0.407 0.000 1.209 145 F CA -0.866 56.763 58.000 -0.618 0.000 1.028 145 F CB 1.277 39.886 39.000 -0.651 0.000 1.291 145 F HN 0.011 nan 8.300 nan 0.000 0.500 146 N N 4.302 122.477 118.700 -0.874 0.000 2.652 146 N HA 0.159 4.900 4.740 0.001 0.000 0.259 146 N C 0.542 175.605 175.510 -0.745 0.000 1.240 146 N CA 0.365 53.038 53.050 -0.628 0.000 0.951 146 N CB 0.495 38.725 38.487 -0.428 0.000 1.281 146 N HN 0.821 nan 8.380 nan 0.000 0.507 147 G N 0.786 109.028 108.800 -0.929 0.000 2.773 147 G HA2 0.433 4.394 3.960 0.001 0.000 0.186 147 G HA3 0.433 4.394 3.960 0.001 0.000 0.186 147 G C -2.403 172.367 174.900 -0.216 0.000 1.411 147 G CA -0.535 44.231 45.100 -0.557 0.000 1.054 147 G HN 0.106 nan 8.290 nan 0.000 0.579 148 P HA 0.408 nan 4.420 nan 0.000 0.279 148 P C -0.381 176.899 177.300 -0.033 0.000 1.252 148 P CA -0.475 62.634 63.100 0.015 0.000 0.811 148 P CB 1.156 32.856 31.700 -0.000 0.000 1.035 149 I N -1.896 118.693 120.570 0.032 0.000 2.566 149 I HA 0.800 4.970 4.170 0.001 0.000 0.303 149 I C 0.414 176.526 176.117 -0.008 0.000 0.983 149 I CA -0.817 60.488 61.300 0.008 0.000 1.235 149 I CB 1.495 39.525 38.000 0.049 0.000 1.386 149 I HN 0.268 nan 8.210 nan 0.000 0.494 150 G N 2.426 111.218 108.800 -0.015 0.000 2.461 150 G HA2 0.745 4.706 3.960 0.001 0.000 0.329 150 G HA3 0.745 4.706 3.960 0.001 0.000 0.329 150 G C -1.274 173.648 174.900 0.036 0.000 1.170 150 G CA -0.778 44.307 45.100 -0.025 0.000 0.935 150 G HN 1.033 nan 8.290 nan 0.000 0.492 151 A N -0.525 122.334 122.820 0.065 0.000 2.375 151 A HA 0.864 5.185 4.320 0.001 0.000 0.295 151 A C -0.339 177.378 177.584 0.221 0.000 1.066 151 A CA -0.075 52.031 52.037 0.116 0.000 0.722 151 A CB 1.448 20.503 19.000 0.092 0.000 1.206 151 A HN 2.054 nan 8.150 nan 0.000 0.435 152 A N 2.321 125.249 122.820 0.180 0.000 2.427 152 A HA 0.758 5.079 4.320 0.001 0.000 0.298 152 A C -0.418 177.239 177.584 0.122 0.000 1.036 152 A CA -0.597 51.550 52.037 0.184 0.000 0.701 152 A CB 1.065 20.167 19.000 0.170 0.000 1.250 152 A HN 0.976 nan 8.150 nan 0.000 0.412 153 R N 2.129 122.691 120.500 0.103 0.000 2.265 153 R HA 0.609 4.949 4.340 0.001 0.000 0.319 153 R C -1.462 174.916 176.300 0.130 0.000 1.006 153 R CA -0.206 55.950 56.100 0.095 0.000 0.880 153 R CB 0.954 31.297 30.300 0.071 0.000 1.077 153 R HN 0.460 nan 8.270 nan 0.000 0.454 154 V N 4.367 124.371 119.914 0.151 0.000 2.384 154 V HA 0.528 4.649 4.120 0.001 0.000 0.287 154 V C 0.676 176.876 176.094 0.177 0.000 1.020 154 V CA -0.592 61.837 62.300 0.215 0.000 0.850 154 V CB 1.441 33.417 31.823 0.254 0.000 0.987 154 V HN 0.988 nan 8.190 nan 0.000 0.436 155 G N 2.310 111.213 108.800 0.170 0.000 2.552 155 G HA2 0.553 4.514 3.960 0.001 0.000 0.318 155 G HA3 0.553 4.514 3.960 0.001 0.000 0.318 155 G C -1.695 173.322 174.900 0.196 0.000 1.240 155 G CA -0.447 44.740 45.100 0.144 0.000 1.002 155 G HN 0.583 nan 8.290 nan 0.000 0.493 156 Y N 0.455 120.741 120.300 -0.023 0.000 2.563 156 Y HA 0.488 5.039 4.550 0.001 0.000 0.351 156 Y C -0.565 175.271 175.900 -0.107 0.000 1.087 156 Y CA -0.816 57.221 58.100 -0.104 0.000 1.272 156 Y CB 0.447 38.848 38.460 -0.099 0.000 1.095 156 Y HN 0.311 nan 8.280 nan 0.000 0.620 157 I N 4.161 124.566 120.570 -0.275 0.000 2.354 157 I HA 0.268 4.438 4.170 0.001 0.000 0.292 157 I C -0.094 175.821 176.117 -0.337 0.000 0.989 157 I CA -0.896 60.270 61.300 -0.224 0.000 1.188 157 I CB 1.230 39.156 38.000 -0.123 0.000 1.342 157 I HN 0.500 nan 8.210 nan 0.000 0.457 158 N N 5.146 123.683 118.700 -0.272 0.000 2.725 158 N HA -0.210 4.531 4.740 0.001 0.000 0.251 158 N C -0.421 174.863 175.510 -0.377 0.000 1.031 158 N CA 1.062 53.961 53.050 -0.252 0.000 0.720 158 N CB -0.915 37.468 38.487 -0.174 0.000 0.930 158 N HN 0.810 nan 8.380 nan 0.000 0.543 159 D N -1.937 118.108 120.400 -0.592 0.000 3.012 159 D HA -0.193 4.447 4.640 0.001 0.000 0.222 159 D C -0.275 175.477 176.300 -0.912 0.000 1.167 159 D CA 1.223 54.775 54.000 -0.746 0.000 0.854 159 D CB -0.414 40.224 40.800 -0.270 0.000 1.107 159 D HN 0.523 nan 8.370 nan 0.000 0.421 160 Q N -0.644 118.549 119.800 -1.011 0.000 2.372 160 Q HA 0.362 4.703 4.340 0.001 0.000 0.273 160 Q C -0.413 175.146 176.000 -0.735 0.000 1.078 160 Q CA -0.619 54.748 55.803 -0.727 0.000 0.806 160 Q CB 1.297 29.807 28.738 -0.381 0.000 1.332 160 Q HN 0.159 nan 8.270 nan 0.000 0.435 161 Y N 0.086 120.115 120.300 -0.451 0.000 2.377 161 Y HA 0.301 4.852 4.550 0.001 0.000 0.330 161 Y C 0.492 176.070 175.900 -0.537 0.000 1.108 161 Y CA -0.455 57.291 58.100 -0.590 0.000 1.308 161 Y CB 0.844 38.560 38.460 -1.240 0.000 1.216 161 Y HN 0.155 nan 8.280 nan 0.000 0.518 162 V N 5.502 125.366 119.914 -0.082 0.000 2.409 162 V HA 0.192 4.313 4.120 0.001 0.000 0.291 162 V C -0.518 175.716 176.094 0.233 0.000 1.020 162 V CA -0.935 61.400 62.300 0.059 0.000 0.848 162 V CB 1.549 33.382 31.823 0.015 0.000 0.990 162 V HN 0.522 nan 8.190 nan 0.000 0.430 163 L N 6.019 127.439 121.223 0.329 0.000 2.360 163 L HA 0.470 4.811 4.340 0.001 0.000 0.276 163 L C 0.550 177.447 176.870 0.046 0.000 1.121 163 L CA 0.449 55.422 54.840 0.221 0.000 0.845 163 L CB -0.129 41.968 42.059 0.063 0.000 1.143 163 L HN 0.761 nan 8.230 nan 0.000 0.452 164 N N 3.521 122.239 118.700 0.031 0.000 2.650 164 N HA -0.163 4.578 4.740 0.001 0.000 0.272 164 N C -2.455 173.104 175.510 0.081 0.000 1.058 164 N CA 0.762 53.833 53.050 0.036 0.000 0.765 164 N CB -1.233 37.248 38.487 -0.010 0.000 0.902 164 N HN 0.512 nan 8.380 nan 0.000 0.551 165 P HA 0.093 nan 4.420 nan 0.000 0.275 165 P C 0.416 177.760 177.300 0.073 0.000 1.227 165 P CA -0.159 62.981 63.100 0.067 0.000 0.781 165 P CB 0.604 32.338 31.700 0.056 0.000 0.906 166 T N -0.253 114.347 114.554 0.076 0.000 2.766 166 T HA 0.049 4.400 4.350 0.001 0.000 0.295 166 T C 1.479 176.205 174.700 0.044 0.000 1.024 166 T CA -0.441 61.701 62.100 0.070 0.000 1.018 166 T CB 0.274 69.188 68.868 0.077 0.000 1.002 166 T HN 0.301 nan 8.240 nan 0.000 0.532 167 Q N 0.393 120.214 119.800 0.036 0.000 2.181 167 Q HA -0.120 4.221 4.340 0.001 0.000 0.205 167 Q C 1.727 177.742 176.000 0.025 0.000 0.980 167 Q CA 1.553 57.373 55.803 0.028 0.000 0.862 167 Q CB -0.388 28.364 28.738 0.024 0.000 0.905 167 Q HN 0.699 nan 8.270 nan 0.000 0.429 168 D N 0.407 120.822 120.400 0.025 0.000 2.194 168 D HA -0.084 4.557 4.640 0.001 0.000 0.204 168 D C 1.494 177.804 176.300 0.016 0.000 0.964 168 D CA 0.640 54.652 54.000 0.019 0.000 0.846 168 D CB 0.081 40.891 40.800 0.017 0.000 0.962 168 D HN 0.394 nan 8.370 nan 0.000 0.490 169 E N 0.071 120.283 120.200 0.019 0.000 2.285 169 E HA 0.013 4.364 4.350 0.001 0.000 0.194 169 E C 2.037 178.647 176.600 0.018 0.000 0.997 169 E CA 0.074 56.482 56.400 0.014 0.000 0.845 169 E CB 0.133 29.844 29.700 0.017 0.000 0.782 169 E HN 0.241 nan 8.360 nan 0.000 0.491 170 L N 0.912 122.150 121.223 0.025 0.000 2.376 170 L HA -0.119 4.222 4.340 0.001 0.000 0.219 170 L C 2.132 179.016 176.870 0.023 0.000 1.133 170 L CA 0.605 55.462 54.840 0.028 0.000 0.816 170 L CB -0.117 41.961 42.059 0.031 0.000 0.933 170 L HN -0.014 nan 8.230 nan 0.000 0.449 171 K N 0.012 120.423 120.400 0.018 0.000 2.148 171 K HA -0.091 4.230 4.320 0.001 0.000 0.204 171 K C 1.708 178.314 176.600 0.011 0.000 1.050 171 K CA 0.961 57.256 56.287 0.015 0.000 0.942 171 K CB 0.003 32.511 32.500 0.012 0.000 0.724 171 K HN 0.330 nan 8.250 nan 0.000 0.446 172 E N 0.697 120.901 120.200 0.006 0.000 2.318 172 E HA 0.003 4.354 4.350 0.001 0.000 0.193 172 E C 0.717 177.319 176.600 0.003 0.000 0.998 172 E CA 0.038 56.438 56.400 -0.001 0.000 0.859 172 E CB 0.168 29.860 29.700 -0.013 0.000 0.812 172 E HN -0.001 nan 8.360 nan 0.000 0.492 173 S N 0.746 116.456 115.700 0.016 0.000 2.576 173 S HA 0.046 4.517 4.470 0.001 0.000 0.276 173 S C 0.785 175.419 174.600 0.056 0.000 1.339 173 S CA -0.204 58.019 58.200 0.038 0.000 1.039 173 S CB 0.862 64.091 63.200 0.048 0.000 0.902 173 S HN -0.142 nan 8.310 nan 0.000 0.516 174 K N 2.832 123.292 120.400 0.100 0.000 2.437 174 K HA 0.390 4.710 4.320 0.001 0.000 0.205 174 K C -0.413 176.224 176.600 0.062 0.000 1.026 174 K CA -0.263 56.074 56.287 0.085 0.000 1.153 174 K CB -0.416 32.156 32.500 0.119 0.000 0.863 174 K HN 0.550 nan 8.250 nan 0.000 0.502 175 L N 0.025 121.296 121.223 0.081 0.000 2.549 175 L HA 0.521 4.861 4.340 0.001 0.000 0.259 175 L C -2.082 174.827 176.870 0.065 0.000 0.934 175 L CA -0.292 54.586 54.840 0.063 0.000 0.865 175 L CB 2.573 44.686 42.059 0.091 0.000 1.352 175 L HN -0.064 nan 8.230 nan 0.000 0.410 176 D N 4.163 124.588 120.400 0.042 0.000 2.513 176 D HA 0.272 4.913 4.640 0.001 0.000 0.295 176 D C -1.470 174.849 176.300 0.033 0.000 1.202 176 D CA 0.018 54.042 54.000 0.040 0.000 0.849 176 D CB 0.534 41.349 40.800 0.025 0.000 1.116 176 D HN 0.582 nan 8.370 nan 0.000 0.502 177 L N 1.708 122.963 121.223 0.052 0.000 2.289 177 L HA 0.548 4.889 4.340 0.001 0.000 0.285 177 L C -0.982 175.920 176.870 0.054 0.000 1.049 177 L CA -0.521 54.346 54.840 0.045 0.000 0.804 177 L CB 1.381 43.474 42.059 0.057 0.000 1.195 177 L HN -0.092 nan 8.230 nan 0.000 0.428 178 V N 6.188 126.123 119.914 0.034 0.000 2.357 178 V HA 0.394 4.515 4.120 0.001 0.000 0.284 178 V C -0.296 175.822 176.094 0.040 0.000 1.018 178 V CA -0.556 61.767 62.300 0.039 0.000 0.841 178 V CB 1.592 33.425 31.823 0.018 0.000 0.991 178 V HN 0.535 nan 8.190 nan 0.000 0.437 179 V N 4.945 124.897 119.914 0.062 0.000 2.555 179 V HA 0.973 5.094 4.120 0.001 0.000 0.302 179 V C -0.045 176.094 176.094 0.076 0.000 1.038 179 V CA -0.070 62.269 62.300 0.064 0.000 0.887 179 V CB 1.777 33.647 31.823 0.078 0.000 0.991 179 V HN 1.082 nan 8.190 nan 0.000 0.434 180 A N 4.239 127.098 122.820 0.065 0.000 2.449 180 A HA 1.046 5.367 4.320 0.001 0.000 0.302 180 A C -0.186 177.441 177.584 0.072 0.000 1.048 180 A CA 0.033 52.112 52.037 0.070 0.000 0.708 180 A CB 1.930 20.960 19.000 0.050 0.000 1.274 180 A HN 2.016 nan 8.150 nan 0.000 0.410 181 G N -0.199 108.659 108.800 0.097 0.000 2.338 181 G HA2 0.615 4.576 3.960 0.001 0.000 0.295 181 G HA3 0.615 4.576 3.960 0.001 0.000 0.295 181 G C -0.303 174.658 174.900 0.101 0.000 1.461 181 G CA 0.297 45.454 45.100 0.095 0.000 0.817 181 G HN 1.480 nan 8.290 nan 0.000 0.556 182 T N -2.109 112.483 114.554 0.063 0.000 2.833 182 T HA 0.394 4.745 4.350 0.001 0.000 0.312 182 T C 1.291 176.018 174.700 0.044 0.000 1.085 182 T CA 0.658 62.757 62.100 -0.002 0.000 0.955 182 T CB 1.276 70.095 68.868 -0.082 0.000 1.353 182 T HN 0.674 nan 8.240 nan 0.000 0.544 183 E N -0.086 120.088 120.200 -0.043 0.000 2.150 183 E HA -0.056 4.294 4.350 0.001 0.000 0.193 183 E C 2.159 178.766 176.600 0.011 0.000 0.985 183 E CA 0.852 57.211 56.400 -0.069 0.000 0.814 183 E CB -0.437 29.210 29.700 -0.089 0.000 0.752 183 E HN 0.699 nan 8.360 nan 0.000 0.466 184 A N 0.840 123.674 122.820 0.024 0.000 1.850 184 A HA 0.402 4.723 4.320 0.001 0.000 0.212 184 A C 1.080 178.698 177.584 0.058 0.000 1.208 184 A CA 1.033 53.083 52.037 0.022 0.000 0.609 184 A CB -0.036 18.946 19.000 -0.029 0.000 0.860 184 A HN 0.317 nan 8.150 nan 0.000 0.448 185 A N -1.791 121.046 122.820 0.028 0.000 2.594 185 A HA 0.586 4.907 4.320 0.001 0.000 0.291 185 A C -0.743 176.711 177.584 -0.216 0.000 1.105 185 A CA -0.448 51.517 52.037 -0.120 0.000 0.694 185 A CB 0.708 19.642 19.000 -0.111 0.000 1.291 185 A HN 0.468 nan 8.150 nan 0.000 0.410 186 V N 1.672 121.332 119.914 -0.423 0.000 2.614 186 V HA 0.202 4.322 4.120 0.001 0.000 0.291 186 V C 0.872 176.889 176.094 -0.128 0.000 1.049 186 V CA 0.340 62.450 62.300 -0.317 0.000 1.038 186 V CB 0.688 32.317 31.823 -0.323 0.000 0.980 186 V HN 0.809 nan 8.190 nan 0.000 0.481 187 L N 3.330 124.518 121.223 -0.060 0.000 2.453 187 L HA 0.382 4.722 4.340 0.001 0.000 0.190 187 L C 0.771 177.638 176.870 -0.005 0.000 1.093 187 L CA 0.498 55.321 54.840 -0.028 0.000 0.834 187 L CB 0.096 42.146 42.059 -0.016 0.000 1.090 187 L HN 0.593 nan 8.230 nan 0.000 0.489 188 M N 0.119 119.723 119.600 0.006 0.000 2.762 188 M HA 0.661 5.141 4.480 0.001 0.000 0.306 188 M C -1.739 174.569 176.300 0.013 0.000 1.223 188 M CA -0.557 54.751 55.300 0.013 0.000 0.896 188 M CB 2.644 35.253 32.600 0.015 0.000 1.684 188 M HN -0.172 nan 8.290 nan 0.000 0.491 189 V N 2.023 121.941 119.914 0.007 0.000 2.823 189 V HA 0.388 4.509 4.120 0.001 0.000 0.296 189 V C -1.734 174.347 176.094 -0.021 0.000 1.250 189 V CA -0.580 61.722 62.300 0.002 0.000 0.939 189 V CB 1.969 33.798 31.823 0.011 0.000 1.062 189 V HN 0.908 nan 8.190 nan 0.000 0.433 190 E N 3.165 123.352 120.200 -0.022 0.000 2.260 190 E HA 0.813 5.164 4.350 0.001 0.000 0.266 190 E C -0.708 175.872 176.600 -0.033 0.000 0.887 190 E CA -0.120 56.256 56.400 -0.040 0.000 0.777 190 E CB 2.121 31.795 29.700 -0.044 0.000 1.205 190 E HN 0.915 nan 8.360 nan 0.000 0.414 191 S N 2.752 118.424 115.700 -0.047 0.000 2.671 191 S HA 0.724 5.194 4.470 0.001 0.000 0.277 191 S C -1.020 173.553 174.600 -0.046 0.000 1.165 191 S CA -1.007 57.172 58.200 -0.035 0.000 0.822 191 S CB 1.707 64.892 63.200 -0.026 0.000 1.150 191 S HN 0.458 nan 8.310 nan 0.000 0.479 192 E N -0.228 119.953 120.200 -0.032 0.000 2.304 192 E HA 0.635 4.986 4.350 0.001 0.000 0.277 192 E C -1.464 175.120 176.600 -0.026 0.000 0.898 192 E CA -0.891 55.488 56.400 -0.034 0.000 0.764 192 E CB 1.868 31.554 29.700 -0.023 0.000 1.216 192 E HN 1.077 nan 8.360 nan 0.000 0.419 193 A N 3.557 126.354 122.820 -0.038 0.000 2.566 193 A HA 0.488 4.809 4.320 0.001 0.000 0.292 193 A C -0.948 176.612 177.584 -0.041 0.000 1.112 193 A CA -0.712 51.302 52.037 -0.039 0.000 0.707 193 A CB 1.636 20.602 19.000 -0.058 0.000 1.302 193 A HN 0.678 nan 8.150 nan 0.000 0.409 194 E N 1.358 121.536 120.200 -0.036 0.000 2.280 194 E HA 0.431 4.782 4.350 0.001 0.000 0.279 194 E C -1.020 175.554 176.600 -0.044 0.000 1.325 194 E CA -0.277 56.103 56.400 -0.034 0.000 1.486 194 E CB -0.346 29.344 29.700 -0.016 0.000 1.466 194 E HN 0.553 nan 8.360 nan 0.000 0.473 195 L N 1.251 122.442 121.223 -0.053 0.000 3.632 195 L HA -0.253 4.088 4.340 0.001 0.000 0.510 195 L C -0.416 176.415 176.870 -0.064 0.000 1.299 195 L CA 0.236 55.044 54.840 -0.053 0.000 0.829 195 L CB -1.420 40.614 42.059 -0.043 0.000 1.559 195 L HN 0.534 nan 8.230 nan 0.000 0.857 196 L N 0.050 121.220 121.223 -0.088 0.000 2.379 196 L HA 0.473 4.814 4.340 0.001 0.000 0.269 196 L C 1.229 178.045 176.870 -0.091 0.000 1.084 196 L CA -0.093 54.671 54.840 -0.128 0.000 0.802 196 L CB 1.781 43.718 42.059 -0.203 0.000 1.175 196 L HN 0.527 nan 8.230 nan 0.000 0.448 197 S N 0.640 116.289 115.700 -0.084 0.000 2.596 197 S HA 0.054 4.525 4.470 0.001 0.000 0.260 197 S C 0.755 175.337 174.600 -0.030 0.000 1.336 197 S CA -0.542 57.631 58.200 -0.044 0.000 0.993 197 S CB 1.071 64.254 63.200 -0.030 0.000 0.923 197 S HN 0.609 nan 8.310 nan 0.000 0.567 198 E N 0.710 120.909 120.200 -0.001 0.000 2.110 198 E HA -0.103 4.248 4.350 0.001 0.000 0.193 198 E C 1.403 178.020 176.600 0.029 0.000 0.988 198 E CA 1.607 58.021 56.400 0.022 0.000 0.804 198 E CB -0.203 29.520 29.700 0.040 0.000 0.745 198 E HN 0.650 nan 8.360 nan 0.000 0.458 199 D N -0.030 120.385 120.400 0.026 0.000 2.183 199 D HA -0.099 4.542 4.640 0.001 0.000 0.203 199 D C 1.728 178.066 176.300 0.064 0.000 0.969 199 D CA 0.688 54.714 54.000 0.043 0.000 0.842 199 D CB -0.041 40.785 40.800 0.044 0.000 0.957 199 D HN 0.286 nan 8.370 nan 0.000 0.484 200 Q N -0.480 119.334 119.800 0.023 0.000 2.172 200 Q HA -0.026 4.315 4.340 0.001 0.000 0.200 200 Q C 1.975 177.997 176.000 0.036 0.000 0.964 200 Q CA 0.731 56.536 55.803 0.003 0.000 0.855 200 Q CB 0.137 28.738 28.738 -0.229 0.000 0.918 200 Q HN 0.166 nan 8.270 nan 0.000 0.444 201 M N -0.203 119.395 119.600 -0.004 0.000 2.236 201 M HA -0.064 4.417 4.480 0.001 0.000 0.266 201 M C 1.976 178.290 176.300 0.024 0.000 1.070 201 M CA 0.864 56.165 55.300 0.002 0.000 1.137 201 M CB -0.682 31.911 32.600 -0.013 0.000 1.378 201 M HN 0.224 nan 8.290 nan 0.000 0.426 202 L N 0.389 121.634 121.223 0.036 0.000 2.109 202 L HA 0.112 4.453 4.340 0.001 0.000 0.207 202 L C 2.224 179.093 176.870 -0.001 0.000 1.086 202 L CA 1.743 56.601 54.840 0.031 0.000 0.760 202 L CB -1.520 40.563 42.059 0.040 0.000 0.910 202 L HN 0.308 nan 8.230 nan 0.000 0.437 203 G N -0.936 107.869 108.800 0.009 0.000 2.432 203 G HA2 -0.234 3.726 3.960 0.001 0.000 0.219 203 G HA3 -0.234 3.726 3.960 0.001 0.000 0.219 203 G C 1.573 176.239 174.900 -0.391 0.000 1.135 203 G CA 0.781 45.834 45.100 -0.079 0.000 0.767 203 G HN 0.590 nan 8.290 nan 0.000 0.550 204 A N 0.082 122.699 122.820 -0.339 0.000 1.968 204 A HA 0.163 4.484 4.320 0.001 0.000 0.217 204 A C 2.559 180.103 177.584 -0.067 0.000 1.169 204 A CA 1.572 53.413 52.037 -0.327 0.000 0.638 204 A CB -0.377 18.620 19.000 -0.006 0.000 0.812 204 A HN 0.236 nan 8.150 nan 0.000 0.446 205 V N -0.356 119.542 119.914 -0.028 0.000 2.358 205 V HA -0.201 3.920 4.120 0.001 0.000 0.246 205 V C 2.540 178.652 176.094 0.031 0.000 1.047 205 V CA 1.933 64.242 62.300 0.015 0.000 1.035 205 V CB -0.738 31.090 31.823 0.009 0.000 0.658 205 V HN 0.366 nan 8.190 nan 0.000 0.452 206 V N -0.504 119.415 119.914 0.008 0.000 2.358 206 V HA -0.235 3.886 4.120 0.001 0.000 0.246 206 V C 2.165 178.294 176.094 0.059 0.000 1.047 206 V CA 2.240 64.564 62.300 0.040 0.000 1.035 206 V CB -0.782 31.053 31.823 0.021 0.000 0.658 206 V HN 0.548 nan 8.190 nan 0.000 0.452 207 F N 2.243 122.102 119.950 -0.152 0.000 2.069 207 F HA -0.116 4.411 4.527 0.001 0.000 0.298 207 F C 2.219 177.992 175.800 -0.044 0.000 1.113 207 F CA 1.990 59.902 58.000 -0.147 0.000 1.214 207 F CB -0.890 37.897 39.000 -0.355 0.000 0.978 207 F HN 0.141 nan 8.300 nan 0.000 0.474 208 G N -1.285 107.531 108.800 0.027 0.000 2.408 208 G HA2 -0.289 3.672 3.960 0.001 0.000 0.217 208 G HA3 -0.289 3.672 3.960 0.001 0.000 0.217 208 G C 1.771 176.672 174.900 0.001 0.000 1.150 208 G CA 0.941 46.037 45.100 -0.007 0.000 0.776 208 G HN 0.584 nan 8.290 nan 0.000 0.542 209 H N 0.539 119.574 119.070 -0.058 0.000 2.423 209 H HA 0.061 4.618 4.556 0.001 0.000 0.297 209 H C 2.271 177.555 175.328 -0.073 0.000 1.075 209 H CA 1.372 57.391 56.048 -0.049 0.000 1.342 209 H CB 0.273 30.012 29.762 -0.038 0.000 1.395 209 H HN 0.455 nan 8.280 nan 0.000 0.530 210 E N -0.116 120.002 120.200 -0.137 0.000 2.158 210 E HA -0.110 4.241 4.350 0.001 0.000 0.191 210 E C 2.323 178.800 176.600 -0.205 0.000 0.982 210 E CA 0.324 56.611 56.400 -0.188 0.000 0.823 210 E CB 0.276 29.901 29.700 -0.125 0.000 0.766 210 E HN 0.459 nan 8.360 nan 0.000 0.468 211 Q N 0.402 120.049 119.800 -0.255 0.000 2.187 211 Q HA -0.134 4.207 4.340 0.001 0.000 0.199 211 Q C 1.955 177.996 176.000 0.068 0.000 0.957 211 Q CA 0.984 56.680 55.803 -0.179 0.000 0.857 211 Q CB 0.004 28.509 28.738 -0.389 0.000 0.929 211 Q HN 0.500 nan 8.270 nan 0.000 0.453 212 Q N -0.369 119.448 119.800 0.029 0.000 2.444 212 Q HA -0.018 4.322 4.340 0.001 0.000 0.206 212 Q C 1.252 177.174 176.000 -0.129 0.000 0.948 212 Q CA 0.219 56.046 55.803 0.039 0.000 0.946 212 Q CB 0.188 28.956 28.738 0.050 0.000 1.027 212 Q HN 0.119 nan 8.270 nan 0.000 0.513 213 Q N 0.667 120.373 119.800 -0.158 0.000 2.167 213 Q HA -0.078 4.263 4.340 0.001 0.000 0.202 213 Q C 2.119 178.005 176.000 -0.189 0.000 0.970 213 Q CA 1.134 56.820 55.803 -0.194 0.000 0.855 213 Q CB -0.246 28.377 28.738 -0.191 0.000 0.911 213 Q HN 0.369 nan 8.270 nan 0.000 0.438 214 V N 0.356 120.176 119.914 -0.156 0.000 2.626 214 V HA -0.163 3.958 4.120 0.001 0.000 0.252 214 V C 2.107 177.927 176.094 -0.457 0.000 1.067 214 V CA 0.999 63.177 62.300 -0.203 0.000 1.081 214 V CB -0.115 31.694 31.823 -0.024 0.000 0.686 214 V HN 0.103 nan 8.190 nan 0.000 0.468 215 V N 0.216 119.864 119.914 -0.444 0.000 2.358 215 V HA -0.210 3.911 4.120 0.001 0.000 0.246 215 V C 2.236 178.086 176.094 -0.407 0.000 1.047 215 V CA 2.413 64.400 62.300 -0.521 0.000 1.035 215 V CB -0.504 31.089 31.823 -0.383 0.000 0.658 215 V HN 0.504 nan 8.190 nan 0.000 0.452 216 I N -0.231 120.170 120.570 -0.283 0.000 2.226 216 I HA -0.295 3.876 4.170 0.001 0.000 0.245 216 I C 2.656 178.639 176.117 -0.223 0.000 1.100 216 I CA 1.581 62.755 61.300 -0.210 0.000 1.374 216 I CB -0.454 37.445 38.000 -0.169 0.000 1.057 216 I HN 0.330 nan 8.210 nan 0.000 0.413 217 Q N 0.451 120.099 119.800 -0.253 0.000 2.124 217 Q HA -0.160 4.181 4.340 0.001 0.000 0.202 217 Q C 1.990 177.833 176.000 -0.263 0.000 0.977 217 Q CA 1.273 56.941 55.803 -0.224 0.000 0.850 217 Q CB -0.127 28.489 28.738 -0.202 0.000 0.901 217 Q HN 0.517 nan 8.270 nan 0.000 0.429 218 N N 0.222 118.666 118.700 -0.427 0.000 2.300 218 N HA -0.028 4.713 4.740 0.001 0.000 0.179 218 N C 1.741 177.079 175.510 -0.286 0.000 1.016 218 N CA 0.789 53.564 53.050 -0.459 0.000 0.876 218 N CB 0.157 38.042 38.487 -1.004 0.000 0.979 218 N HN 0.254 nan 8.380 nan 0.000 0.432 219 I N 1.440 121.854 120.570 -0.259 0.000 2.252 219 I HA -0.203 3.968 4.170 0.001 0.000 0.245 219 I C 1.885 177.940 176.117 -0.103 0.000 1.102 219 I CA 0.693 61.910 61.300 -0.138 0.000 1.385 219 I CB -0.221 37.712 38.000 -0.110 0.000 1.064 219 I HN 0.042 nan 8.210 nan 0.000 0.414 220 N N 0.739 119.368 118.700 -0.117 0.000 2.104 220 N HA -0.253 4.488 4.740 0.001 0.000 0.190 220 N C 1.852 177.318 175.510 -0.073 0.000 1.024 220 N CA 1.527 54.524 53.050 -0.089 0.000 0.853 220 N CB -0.277 38.152 38.487 -0.097 0.000 1.008 220 N HN 0.349 nan 8.380 nan 0.000 0.424 221 E N 0.793 120.941 120.200 -0.086 0.000 2.150 221 E HA -0.059 4.292 4.350 0.001 0.000 0.193 221 E C 1.854 178.429 176.600 -0.043 0.000 0.985 221 E CA 0.399 56.761 56.400 -0.063 0.000 0.814 221 E CB -0.314 29.344 29.700 -0.071 0.000 0.752 221 E HN 0.170 nan 8.360 nan 0.000 0.466 222 L N -0.467 120.728 121.223 -0.047 0.000 2.141 222 L HA -0.058 4.283 4.340 0.001 0.000 0.209 222 L C 2.051 178.909 176.870 -0.018 0.000 1.094 222 L CA 1.107 55.933 54.840 -0.023 0.000 0.763 222 L CB -0.200 41.848 42.059 -0.019 0.000 0.908 222 L HN 0.083 nan 8.230 nan 0.000 0.437 223 V N -0.667 119.231 119.914 -0.028 0.000 2.453 223 V HA -0.189 3.932 4.120 0.001 0.000 0.247 223 V C 2.510 178.597 176.094 -0.013 0.000 1.048 223 V CA 1.261 63.550 62.300 -0.019 0.000 1.049 223 V CB -0.682 31.126 31.823 -0.026 0.000 0.672 223 V HN 0.368 nan 8.190 nan 0.000 0.457 224 K N 0.046 120.435 120.400 -0.019 0.000 2.283 224 K HA -0.122 4.199 4.320 0.001 0.000 0.202 224 K C 1.903 178.499 176.600 -0.006 0.000 1.048 224 K CA 1.162 57.441 56.287 -0.013 0.000 0.948 224 K CB 0.017 32.505 32.500 -0.020 0.000 0.742 224 K HN 0.605 nan 8.250 nan 0.000 0.458 225 E N -0.710 119.487 120.200 -0.004 0.000 2.206 225 E HA 0.083 4.434 4.350 0.001 0.000 0.195 225 E C 0.989 177.594 176.600 0.008 0.000 0.935 225 E CA 0.450 56.851 56.400 0.002 0.000 0.875 225 E CB 0.463 30.165 29.700 0.003 0.000 0.841 225 E HN 0.165 nan 8.360 nan 0.000 0.477 226 A N 0.989 123.814 122.820 0.008 0.000 2.603 226 A HA 0.360 4.681 4.320 0.001 0.000 0.277 226 A C 0.724 178.317 177.584 0.015 0.000 1.158 226 A CA 0.000 52.046 52.037 0.014 0.000 0.962 226 A CB 0.636 19.646 19.000 0.016 0.000 1.189 226 A HN 0.143 nan 8.150 nan 0.000 0.552 227 G N 0.677 109.483 108.800 0.011 0.000 2.378 227 G HA2 0.403 4.364 3.960 0.001 0.000 0.255 227 G HA3 0.403 4.364 3.960 0.001 0.000 0.255 227 G C -0.112 174.807 174.900 0.031 0.000 1.270 227 G CA -0.286 44.823 45.100 0.014 0.000 0.876 227 G HN 0.385 nan 8.290 nan 0.000 0.521 228 K N 2.775 123.202 120.400 0.046 0.000 2.326 228 K HA 0.160 4.481 4.320 0.001 0.000 0.275 228 K C -2.088 174.567 176.600 0.093 0.000 1.018 228 K CA -1.059 55.273 56.287 0.075 0.000 0.962 228 K CB 0.667 33.231 32.500 0.106 0.000 0.953 228 K HN 0.280 nan 8.250 nan 0.000 0.475 229 P HA -0.052 nan 4.420 nan 0.000 0.264 229 P C -0.492 176.910 177.300 0.170 0.000 1.183 229 P CA -0.009 63.154 63.100 0.105 0.000 0.763 229 P CB 0.477 32.228 31.700 0.085 0.000 0.807 230 R N 1.989 122.578 120.500 0.148 0.000 2.570 230 R HA -0.001 4.340 4.340 0.001 0.000 0.277 230 R C -0.066 176.421 176.300 0.312 0.000 1.039 230 R CA -0.349 55.866 56.100 0.192 0.000 1.065 230 R CB -0.614 29.756 30.300 0.117 0.000 0.964 230 R HN 0.515 nan 8.270 nan 0.000 0.428 231 W N 1.606 122.943 121.300 0.062 0.000 2.417 231 W HA 0.024 4.685 4.660 0.001 0.000 0.332 231 W C 0.776 177.388 176.519 0.155 0.000 1.413 231 W CA -0.663 56.747 57.345 0.108 0.000 1.299 231 W CB -0.203 29.327 29.460 0.117 0.000 1.304 231 W HN 0.606 nan 8.180 nan 0.000 0.565 232 D N 4.061 124.628 120.400 0.277 0.000 2.455 232 D HA 0.055 4.695 4.640 0.001 0.000 0.234 232 D C -0.979 175.501 176.300 0.301 0.000 1.224 232 D CA 0.083 54.212 54.000 0.216 0.000 0.999 232 D CB -0.351 40.511 40.800 0.102 0.000 1.072 232 D HN 0.300 nan 8.370 nan 0.000 0.514 233 W N 4.311 125.708 121.300 0.162 0.000 2.819 233 W HA 0.397 5.057 4.660 0.001 0.000 0.337 233 W C -1.572 175.025 176.519 0.129 0.000 1.077 233 W CA -0.667 56.789 57.345 0.185 0.000 1.226 233 W CB 1.245 30.894 29.460 0.315 0.000 1.419 233 W HN 0.175 nan 8.180 nan 0.000 0.502 234 Q N 5.960 125.243 119.800 -0.862 0.000 2.309 234 Q HA 0.470 4.811 4.340 0.001 0.000 0.273 234 Q C -2.869 172.352 176.000 -1.298 0.000 1.040 234 Q CA -1.957 53.272 55.803 -0.956 0.000 0.834 234 Q CB 1.862 30.371 28.738 -0.380 0.000 1.345 234 Q HN 0.369 nan 8.270 nan 0.000 0.414 235 P HA 0.159 nan 4.420 nan 0.000 0.274 235 P C -0.645 176.488 177.300 -0.279 0.000 1.246 235 P CA -0.200 62.560 63.100 -0.565 0.000 0.795 235 P CB 0.828 32.405 31.700 -0.205 0.000 1.006 236 E N 1.616 121.736 120.200 -0.133 0.000 2.351 236 E HA 0.124 4.475 4.350 0.001 0.000 0.266 236 E C -1.728 174.836 176.600 -0.060 0.000 1.031 236 E CA -1.155 55.197 56.400 -0.080 0.000 0.911 236 E CB -0.642 29.040 29.700 -0.030 0.000 0.986 236 E HN 0.344 nan 8.360 nan 0.000 0.446 237 P HA -0.075 nan 4.420 nan 0.000 0.266 237 P C -0.798 176.487 177.300 -0.025 0.000 1.193 237 P CA -0.104 62.968 63.100 -0.046 0.000 0.770 237 P CB 0.407 32.081 31.700 -0.044 0.000 0.836 238 V N 3.159 123.062 119.914 -0.018 0.000 2.446 238 V HA 0.012 4.133 4.120 0.001 0.000 0.276 238 V C 0.772 176.862 176.094 -0.007 0.000 1.030 238 V CA 0.012 62.307 62.300 -0.007 0.000 1.033 238 V CB -0.308 31.513 31.823 -0.003 0.000 0.993 238 V HN 0.556 nan 8.190 nan 0.000 0.477 239 N N 4.695 123.393 118.700 -0.004 0.000 2.439 239 N HA 0.352 5.093 4.740 0.001 0.000 0.249 239 N C 0.896 176.406 175.510 0.001 0.000 1.003 239 N CA 0.383 53.431 53.050 -0.003 0.000 0.942 239 N CB 1.666 40.152 38.487 -0.002 0.000 1.115 239 N HN 0.684 nan 8.380 nan 0.000 0.505 240 E N 2.674 122.874 120.200 0.000 0.000 2.285 240 E HA 0.011 4.362 4.350 0.001 0.000 0.194 240 E C 1.729 178.331 176.600 0.003 0.000 0.997 240 E CA 1.027 57.429 56.400 0.002 0.000 0.845 240 E CB -0.659 29.042 29.700 0.001 0.000 0.782 240 E HN 0.769 nan 8.360 nan 0.000 0.491 241 A N 0.083 122.905 122.820 0.002 0.000 1.972 241 A HA 0.126 4.447 4.320 0.001 0.000 0.219 241 A C 2.334 179.921 177.584 0.005 0.000 1.169 241 A CA 1.417 53.456 52.037 0.003 0.000 0.635 241 A CB -0.136 18.865 19.000 0.002 0.000 0.810 241 A HN 0.459 nan 8.150 nan 0.000 0.446 242 L N -1.352 119.874 121.223 0.006 0.000 2.515 242 L HA 0.060 4.401 4.340 0.001 0.000 0.223 242 L C 1.936 178.812 176.870 0.010 0.000 1.079 242 L CA 0.158 55.003 54.840 0.008 0.000 0.857 242 L CB -0.180 41.884 42.059 0.009 0.000 1.050 242 L HN 0.231 nan 8.230 nan 0.000 0.476 243 N N 0.802 119.508 118.700 0.009 0.000 2.135 243 N HA -0.078 4.663 4.740 0.001 0.000 0.186 243 N C 1.811 177.328 175.510 0.012 0.000 1.027 243 N CA 1.504 54.561 53.050 0.011 0.000 0.849 243 N CB -0.184 38.308 38.487 0.009 0.000 1.002 243 N HN 0.219 nan 8.380 nan 0.000 0.425 244 A N 0.586 123.412 122.820 0.010 0.000 2.119 244 A HA 0.100 4.421 4.320 0.001 0.000 0.216 244 A C 2.387 179.977 177.584 0.011 0.000 1.152 244 A CA 1.445 53.487 52.037 0.010 0.000 0.708 244 A CB -0.519 18.485 19.000 0.007 0.000 0.805 244 A HN 0.339 nan 8.150 nan 0.000 0.460 245 R N -0.131 120.376 120.500 0.011 0.000 2.062 245 R HA 0.462 4.803 4.340 0.001 0.000 0.229 245 R C 1.400 177.708 176.300 0.014 0.000 1.128 245 R CA 1.519 57.625 56.100 0.011 0.000 0.960 245 R CB -1.797 28.509 30.300 0.010 0.000 0.855 245 R HN 0.957 nan 8.270 nan 0.000 0.432 262 D N 1.403 121.808 120.400 0.008 0.000 2.345 262 D HA 0.589 5.229 4.640 0.001 0.000 0.247 262 D C 1.288 177.596 176.300 0.013 0.000 1.108 262 D CA 0.817 54.823 54.000 0.010 0.000 0.894 262 D CB 0.642 41.446 40.800 0.007 0.000 1.203 262 D HN 0.866 nan 8.370 nan 0.000 0.430 263 K N -0.150 120.262 120.400 0.019 0.000 2.076 263 K HA 0.211 4.532 4.320 0.001 0.000 0.204 263 K C 2.698 179.311 176.600 0.022 0.000 1.051 263 K CA 1.895 58.197 56.287 0.025 0.000 0.949 263 K CB -1.249 31.273 32.500 0.035 0.000 0.726 263 K HN 0.843 nan 8.250 nan 0.000 0.443 264 Q N -0.081 119.730 119.800 0.019 0.000 2.167 264 Q HA 0.005 4.346 4.340 0.001 0.000 0.202 264 Q C 2.307 178.313 176.000 0.009 0.000 0.970 264 Q CA 2.120 57.933 55.803 0.016 0.000 0.855 264 Q CB -1.127 27.620 28.738 0.016 0.000 0.911 264 Q HN 0.895 nan 8.270 nan 0.000 0.438 265 E N 0.181 120.386 120.200 0.007 0.000 2.112 265 E HA 0.029 4.380 4.350 0.001 0.000 0.190 265 E C 2.265 178.865 176.600 -0.001 0.000 0.979 265 E CA 1.813 58.215 56.400 0.003 0.000 0.814 265 E CB -0.924 28.777 29.700 0.002 0.000 0.762 265 E HN 0.865 nan 8.360 nan 0.000 0.460 266 R N -1.015 119.486 120.500 0.000 0.000 2.062 266 R HA 0.328 4.669 4.340 0.001 0.000 0.226 266 R C 1.824 178.115 176.300 -0.015 0.000 1.125 266 R CA 1.674 57.771 56.100 -0.005 0.000 0.966 266 R CB -1.284 29.017 30.300 0.001 0.000 0.861 266 R HN 1.011 nan 8.270 nan 0.000 0.433 298 H N 1.412 120.494 119.070 0.020 0.000 2.672 298 H HA 0.676 5.233 4.556 0.001 0.000 0.262 298 H C 1.102 176.443 175.328 0.022 0.000 1.577 298 H CA 0.269 56.329 56.048 0.019 0.000 1.183 298 H CB 0.243 30.015 29.762 0.017 0.000 1.546 298 H HN 1.278 nan 8.280 nan 0.000 0.502 299 A N 1.299 124.084 122.820 -0.058 0.000 2.015 299 A HA -0.083 4.238 4.320 0.001 0.000 0.219 299 A C 2.598 180.197 177.584 0.024 0.000 1.163 299 A CA 1.706 53.720 52.037 -0.039 0.000 0.646 299 A CB -1.085 17.896 19.000 -0.031 0.000 0.806 299 A HN 0.630 nan 8.150 nan 0.000 0.448 300 I N -0.767 119.831 120.570 0.047 0.000 2.286 300 I HA 0.111 4.282 4.170 0.001 0.000 0.245 300 I C 2.547 178.705 176.117 0.069 0.000 1.104 300 I CA 2.390 63.721 61.300 0.051 0.000 1.397 300 I CB -1.925 36.103 38.000 0.046 0.000 1.072 300 I HN 0.638 nan 8.210 nan 0.000 0.417 301 E N 1.073 121.337 120.200 0.108 0.000 2.150 301 E HA -0.156 4.194 4.350 0.001 0.000 0.193 301 E C 2.407 179.081 176.600 0.124 0.000 0.985 301 E CA 2.088 58.557 56.400 0.114 0.000 0.814 301 E CB -1.155 28.626 29.700 0.135 0.000 0.752 301 E HN 0.962 nan 8.360 nan 0.000 0.466 302 K N 0.797 121.284 120.400 0.144 0.000 2.155 302 K HA -0.055 4.266 4.320 0.001 0.000 0.203 302 K C 2.037 178.679 176.600 0.071 0.000 1.052 302 K CA 1.555 57.910 56.287 0.112 0.000 0.948 302 K CB -0.796 31.752 32.500 0.080 0.000 0.728 302 K HN 0.472 nan 8.250 nan 0.000 0.448 303 N N 0.404 119.137 118.700 0.056 0.000 2.216 303 N HA -0.094 4.647 4.740 0.001 0.000 0.183 303 N C 1.650 177.183 175.510 0.038 0.000 1.017 303 N CA 1.367 54.442 53.050 0.041 0.000 0.861 303 N CB -0.072 38.435 38.487 0.033 0.000 0.986 303 N HN 0.155 nan 8.380 nan 0.000 0.428 304 V N -0.095 119.844 119.914 0.042 0.000 2.332 304 V HA -0.199 3.922 4.120 0.001 0.000 0.248 304 V C 2.255 178.369 176.094 0.033 0.000 1.055 304 V CA 1.435 63.756 62.300 0.034 0.000 1.038 304 V CB -0.476 31.368 31.823 0.034 0.000 0.651 304 V HN 0.192 nan 8.190 nan 0.000 0.450 305 V N -0.292 119.647 119.914 0.041 0.000 2.295 305 V HA -0.258 3.863 4.120 0.001 0.000 0.246 305 V C 2.546 178.660 176.094 0.034 0.000 1.049 305 V CA 2.082 64.406 62.300 0.039 0.000 1.024 305 V CB -0.805 31.049 31.823 0.051 0.000 0.648 305 V HN 0.448 nan 8.190 nan 0.000 0.447 306 R N 0.044 120.566 120.500 0.037 0.000 2.081 306 R HA -0.128 4.213 4.340 0.001 0.000 0.235 306 R C 2.547 178.861 176.300 0.023 0.000 1.131 306 R CA 1.752 57.871 56.100 0.032 0.000 0.960 306 R CB -0.422 29.899 30.300 0.035 0.000 0.856 306 R HN 0.472 nan 8.270 nan 0.000 0.436 307 S N 0.165 115.878 115.700 0.022 0.000 2.406 307 S HA -0.037 4.433 4.470 0.001 0.000 0.228 307 S C 1.754 176.360 174.600 0.011 0.000 1.020 307 S CA 0.801 59.011 58.200 0.015 0.000 0.965 307 S CB -0.041 63.169 63.200 0.016 0.000 0.798 307 S HN 0.292 nan 8.310 nan 0.000 0.488 308 R N 0.517 121.024 120.500 0.013 0.000 2.075 308 R HA -0.008 4.333 4.340 0.001 0.000 0.232 308 R C 2.150 178.452 176.300 0.003 0.000 1.126 308 R CA 1.098 57.203 56.100 0.008 0.000 0.963 308 R CB -0.432 29.875 30.300 0.012 0.000 0.858 308 R HN 0.244 nan 8.270 nan 0.000 0.435 309 V N 1.272 121.190 119.914 0.006 0.000 2.358 309 V HA -0.208 3.912 4.120 0.001 0.000 0.246 309 V C 2.204 178.292 176.094 -0.009 0.000 1.047 309 V CA 1.531 63.831 62.300 0.001 0.000 1.035 309 V CB -0.323 31.505 31.823 0.009 0.000 0.658 309 V HN 0.283 nan 8.190 nan 0.000 0.452 310 L N 0.098 121.318 121.223 -0.005 0.000 2.141 310 L HA -0.091 4.249 4.340 0.001 0.000 0.209 310 L C 2.609 179.467 176.870 -0.020 0.000 1.094 310 L CA 1.343 56.176 54.840 -0.012 0.000 0.763 310 L CB -0.649 41.410 42.059 -0.000 0.000 0.908 310 L HN 0.344 nan 8.230 nan 0.000 0.437 311 A N -0.599 122.213 122.820 -0.013 0.000 1.968 311 A HA 0.151 4.472 4.320 0.001 0.000 0.217 311 A C 1.851 179.423 177.584 -0.021 0.000 1.169 311 A CA 1.279 53.308 52.037 -0.014 0.000 0.638 311 A CB -0.387 18.609 19.000 -0.007 0.000 0.812 311 A HN 0.515 nan 8.150 nan 0.000 0.446 312 G N -1.164 107.623 108.800 -0.022 0.000 2.175 312 G HA2 -0.146 3.815 3.960 0.001 0.000 0.182 312 G HA3 -0.146 3.815 3.960 0.001 0.000 0.182 312 G C -0.183 174.706 174.900 -0.018 0.000 1.003 312 G CA 0.122 45.206 45.100 -0.026 0.000 0.666 312 G HN 0.555 nan 8.290 nan 0.000 0.506 313 E N 1.098 121.290 120.200 -0.012 0.000 2.373 313 E HA 0.396 4.746 4.350 0.001 0.000 0.263 313 E C -2.129 174.467 176.600 -0.006 0.000 1.073 313 E CA -1.656 54.740 56.400 -0.007 0.000 0.894 313 E CB 0.701 30.399 29.700 -0.003 0.000 1.008 313 E HN 0.123 nan 8.360 nan 0.000 0.420 314 P HA -0.043 nan 4.420 nan 0.000 0.266 314 P C -0.465 176.836 177.300 0.002 0.000 1.193 314 P CA 0.419 63.517 63.100 -0.003 0.000 0.770 314 P CB 0.527 32.225 31.700 -0.002 0.000 0.836 315 R N 1.547 122.049 120.500 0.003 0.000 2.840 315 R HA 0.158 4.499 4.340 0.001 0.000 0.282 315 R C 1.870 178.177 176.300 0.012 0.000 1.133 315 R CA -0.350 55.755 56.100 0.009 0.000 1.208 315 R CB -0.193 30.114 30.300 0.011 0.000 1.160 315 R HN 0.405 nan 8.270 nan 0.000 0.576 316 I N 0.785 121.365 120.570 0.017 0.000 2.194 316 I HA -0.335 3.835 4.170 0.001 0.000 0.246 316 I C 1.747 177.873 176.117 0.014 0.000 1.093 316 I CA 1.670 62.980 61.300 0.018 0.000 1.355 316 I CB -0.512 37.503 38.000 0.025 0.000 1.046 316 I HN 0.704 nan 8.210 nan 0.000 0.413 317 D N 0.210 120.619 120.400 0.015 0.000 2.348 317 D HA 0.024 4.665 4.640 0.001 0.000 0.211 317 D C 1.639 177.943 176.300 0.008 0.000 0.998 317 D CA 1.058 55.065 54.000 0.012 0.000 0.873 317 D CB 0.338 41.146 40.800 0.014 0.000 0.925 317 D HN 0.469 nan 8.370 nan 0.000 0.524 318 G N 0.320 109.124 108.800 0.006 0.000 2.192 318 G HA2 -0.230 3.731 3.960 0.001 0.000 0.193 318 G HA3 -0.230 3.731 3.960 0.001 0.000 0.193 318 G C 0.302 175.202 174.900 0.000 0.000 0.999 318 G CA -0.297 44.805 45.100 0.003 0.000 0.659 318 G HN 0.367 nan 8.290 nan 0.000 0.503 319 R N 0.606 121.107 120.500 0.002 0.000 2.615 319 R HA 0.483 4.824 4.340 0.001 0.000 0.270 319 R C 0.243 176.540 176.300 -0.005 0.000 1.081 319 R CA -0.379 55.720 56.100 -0.002 0.000 1.154 319 R CB 0.516 30.817 30.300 0.001 0.000 1.063 319 R HN 0.225 nan 8.270 nan 0.000 0.519 320 E N 1.535 121.729 120.200 -0.011 0.000 2.322 320 E HA -0.004 4.347 4.350 0.001 0.000 0.257 320 E C 0.809 177.401 176.600 -0.014 0.000 1.155 320 E CA -0.111 56.280 56.400 -0.015 0.000 0.936 320 E CB 0.777 30.465 29.700 -0.021 0.000 1.130 320 E HN 0.497 nan 8.360 nan 0.000 0.465 321 K N 0.302 120.691 120.400 -0.018 0.000 2.281 321 K HA -0.164 4.157 4.320 0.001 0.000 0.203 321 K C 0.497 177.090 176.600 -0.012 0.000 1.046 321 K CA 1.935 58.212 56.287 -0.016 0.000 0.938 321 K CB 0.042 32.525 32.500 -0.029 0.000 0.737 321 K HN 0.259 nan 8.250 nan 0.000 0.458 322 D N -0.215 120.174 120.400 -0.018 0.000 2.469 322 D HA 0.083 4.724 4.640 0.001 0.000 0.213 322 D C 0.389 176.671 176.300 -0.030 0.000 1.135 322 D CA -0.235 53.754 54.000 -0.017 0.000 0.834 322 D CB -0.062 40.725 40.800 -0.022 0.000 1.009 322 D HN 0.149 nan 8.370 nan 0.000 0.507 323 M N 0.761 120.342 119.600 -0.032 0.000 2.242 323 M HA 0.222 4.703 4.480 0.001 0.000 0.344 323 M C -0.140 176.142 176.300 -0.029 0.000 1.140 323 M CA -0.163 55.108 55.300 -0.048 0.000 1.160 323 M CB 1.369 33.948 32.600 -0.036 0.000 1.491 323 M HN -0.172 nan 8.290 nan 0.000 0.459 324 I N 2.005 122.547 120.570 -0.047 0.000 2.525 324 I HA 0.417 4.587 4.170 0.001 0.000 0.301 324 I C 0.524 176.661 176.117 0.034 0.000 0.992 324 I CA -0.609 60.701 61.300 0.017 0.000 1.162 324 I CB 1.301 39.344 38.000 0.072 0.000 1.332 324 I HN 0.712 nan 8.210 nan 0.000 0.458 325 R N 1.836 122.365 120.500 0.048 0.000 2.801 325 R HA 0.282 4.623 4.340 0.001 0.000 0.273 325 R C 0.534 176.856 176.300 0.036 0.000 1.080 325 R CA -0.217 55.902 56.100 0.033 0.000 1.197 325 R CB 0.264 30.578 30.300 0.024 0.000 1.109 325 R HN 0.866 nan 8.270 nan 0.000 0.535 326 G N 1.369 110.176 108.800 0.010 0.000 2.313 326 G HA2 0.195 4.156 3.960 0.001 0.000 0.250 326 G HA3 0.195 4.156 3.960 0.001 0.000 0.250 326 G C -0.358 174.512 174.900 -0.050 0.000 1.281 326 G CA -0.309 44.789 45.100 -0.003 0.000 0.917 326 G HN 0.266 nan 8.290 nan 0.000 0.501 327 L N 1.992 123.184 121.223 -0.052 0.000 2.322 327 L HA 0.459 4.800 4.340 0.001 0.000 0.279 327 L C -0.455 176.320 176.870 -0.158 0.000 1.036 327 L CA -0.736 54.015 54.840 -0.148 0.000 0.807 327 L CB 2.163 44.170 42.059 -0.088 0.000 1.226 327 L HN 0.495 nan 8.230 nan 0.000 0.433 328 D N 1.847 122.090 120.400 -0.262 0.000 2.575 328 D HA 0.462 5.102 4.640 0.001 0.000 0.250 328 D C -1.416 174.781 176.300 -0.171 0.000 1.279 328 D CA -0.205 53.693 54.000 -0.170 0.000 0.925 328 D CB 1.905 42.626 40.800 -0.133 0.000 1.261 328 D HN 0.059 nan 8.370 nan 0.000 0.567 329 V N 4.760 124.648 119.914 -0.043 0.000 2.417 329 V HA 0.632 4.753 4.120 0.001 0.000 0.291 329 V C 0.143 176.270 176.094 0.055 0.000 1.024 329 V CA -0.539 61.804 62.300 0.071 0.000 0.861 329 V CB 1.505 33.408 31.823 0.133 0.000 0.985 329 V HN 0.484 nan 8.190 nan 0.000 0.436 330 R N 2.212 122.756 120.500 0.075 0.000 2.771 330 R HA 0.814 5.155 4.340 0.001 0.000 0.274 330 R C -1.151 175.183 176.300 0.057 0.000 0.987 330 R CA -0.657 55.473 56.100 0.050 0.000 0.908 330 R CB 2.638 32.956 30.300 0.031 0.000 1.213 330 R HN 0.686 nan 8.270 nan 0.000 0.468 331 T N 0.247 114.825 114.554 0.039 0.000 2.971 331 T HA 0.498 4.849 4.350 0.001 0.000 0.304 331 T C -0.199 174.517 174.700 0.026 0.000 1.038 331 T CA -0.203 61.918 62.100 0.035 0.000 1.007 331 T CB 1.782 70.669 68.868 0.031 0.000 1.055 331 T HN 0.840 nan 8.240 nan 0.000 0.451 332 G N 1.713 110.529 108.800 0.026 0.000 2.414 332 G HA2 -0.176 3.785 3.960 0.001 0.000 0.256 332 G HA3 -0.176 3.785 3.960 0.001 0.000 0.256 332 G C 0.536 175.446 174.900 0.017 0.000 1.128 332 G CA 0.032 45.144 45.100 0.021 0.000 0.944 332 G HN 0.672 nan 8.290 nan 0.000 0.500 333 V N -0.300 119.624 119.914 0.018 0.000 2.725 333 V HA 0.256 4.377 4.120 0.001 0.000 0.247 333 V C 1.506 177.604 176.094 0.008 0.000 1.058 333 V CA 1.518 63.826 62.300 0.013 0.000 1.080 333 V CB -0.006 31.827 31.823 0.017 0.000 0.713 333 V HN 0.493 nan 8.190 nan 0.000 0.465 334 L N 1.312 122.540 121.223 0.008 0.000 2.322 334 L HA 0.385 4.726 4.340 0.001 0.000 0.281 334 L C -1.418 175.455 176.870 0.006 0.000 1.014 334 L CA -1.407 53.434 54.840 0.002 0.000 0.815 334 L CB 1.736 43.792 42.059 -0.005 0.000 1.247 334 L HN 0.018 nan 8.230 nan 0.000 0.421 335 P HA 0.010 nan 4.420 nan 0.000 0.227 335 P C 0.915 178.225 177.300 0.016 0.000 1.161 335 P CA 0.651 63.758 63.100 0.010 0.000 0.788 335 P CB 0.426 32.130 31.700 0.006 0.000 0.822 336 R N -0.873 119.632 120.500 0.008 0.000 2.362 336 R HA 0.218 4.559 4.340 0.001 0.000 0.227 336 R C 0.998 177.300 176.300 0.003 0.000 0.905 336 R CA 0.246 56.352 56.100 0.011 0.000 1.067 336 R CB -0.395 29.904 30.300 -0.002 0.000 1.078 336 R HN 0.180 nan 8.270 nan 0.000 0.516 337 T N -1.188 113.360 114.554 -0.010 0.000 2.927 337 T HA 0.217 4.568 4.350 0.001 0.000 0.281 337 T C 1.206 175.939 174.700 0.055 0.000 0.998 337 T CA -0.383 61.681 62.100 -0.060 0.000 1.019 337 T CB 1.255 70.079 68.868 -0.074 0.000 1.061 337 T HN 0.272 nan 8.240 nan 0.000 0.518 338 H N 1.236 120.306 119.070 -0.000 0.000 2.333 338 H HA 0.256 4.813 4.556 0.001 0.000 0.302 338 H C 1.162 176.492 175.328 0.003 0.000 1.075 338 H CA 0.044 56.093 56.048 0.001 0.000 1.348 338 H CB 0.213 29.977 29.762 0.004 0.000 1.393 338 H HN 0.606 nan 8.280 nan 0.000 0.509 339 G N 0.015 108.890 108.800 0.124 0.000 2.617 339 G HA2 0.454 4.414 3.960 0.001 0.000 0.306 339 G HA3 0.454 4.414 3.960 0.001 0.000 0.306 339 G C -1.110 173.810 174.900 0.034 0.000 1.360 339 G CA -0.535 44.605 45.100 0.067 0.000 0.983 339 G HN 0.291 nan 8.290 nan 0.000 0.496 340 S N -0.221 115.497 115.700 0.029 0.000 2.548 340 S HA 0.914 5.385 4.470 0.001 0.000 0.286 340 S C -0.478 174.141 174.600 0.033 0.000 1.098 340 S CA -0.532 57.681 58.200 0.022 0.000 0.930 340 S CB 2.292 65.501 63.200 0.015 0.000 1.070 340 S HN 1.971 nan 8.310 nan 0.000 0.480 341 A N 1.467 124.311 122.820 0.041 0.000 2.520 341 A HA 0.746 5.067 4.320 0.001 0.000 0.298 341 A C -1.776 175.857 177.584 0.081 0.000 1.051 341 A CA -0.619 51.456 52.037 0.063 0.000 0.690 341 A CB 1.608 20.651 19.000 0.072 0.000 1.281 341 A HN 1.053 nan 8.150 nan 0.000 0.402 342 L N 2.531 123.810 121.223 0.094 0.000 2.353 342 L HA 0.672 5.012 4.340 0.001 0.000 0.270 342 L C -1.539 175.417 176.870 0.144 0.000 1.003 342 L CA -0.805 54.094 54.840 0.098 0.000 0.862 342 L CB 0.401 42.489 42.059 0.049 0.000 1.221 342 L HN 0.601 nan 8.230 nan 0.000 0.430 343 F N 3.752 123.716 119.950 0.023 0.000 2.420 343 F HA 0.714 5.242 4.527 0.001 0.000 0.342 343 F C -0.171 175.645 175.800 0.026 0.000 1.113 343 F CA -0.051 57.964 58.000 0.025 0.000 1.059 343 F CB 1.478 40.499 39.000 0.036 0.000 1.128 343 F HN 0.496 nan 8.300 nan 0.000 0.475 344 T N 6.599 120.762 114.554 -0.651 0.000 2.840 344 T HA 0.379 4.730 4.350 0.001 0.000 0.287 344 T C -0.663 173.648 174.700 -0.649 0.000 0.991 344 T CA -0.707 61.121 62.100 -0.453 0.000 0.964 344 T CB 1.307 70.040 68.868 -0.226 0.000 0.954 344 T HN 0.633 nan 8.240 nan 0.000 0.438 345 R N 2.346 122.625 120.500 -0.368 0.000 2.402 345 R HA 0.519 4.859 4.340 0.001 0.000 0.290 345 R C 1.059 177.320 176.300 -0.065 0.000 1.321 345 R CA 0.412 56.393 56.100 -0.200 0.000 1.283 345 R CB -0.309 29.989 30.300 -0.003 0.000 1.111 345 R HN 1.013 nan 8.270 nan 0.000 0.578 346 G N 2.785 111.544 108.800 -0.068 0.000 2.687 346 G HA2 -0.365 3.596 3.960 0.001 0.000 0.303 346 G HA3 -0.365 3.596 3.960 0.001 0.000 0.303 346 G C 0.316 175.201 174.900 -0.024 0.000 1.209 346 G CA 0.406 45.489 45.100 -0.028 0.000 0.968 346 G HN 0.609 nan 8.290 nan 0.000 0.549 347 E N 1.183 121.381 120.200 -0.002 0.000 2.569 347 E HA 0.345 4.696 4.350 0.001 0.000 0.205 347 E C -0.461 176.149 176.600 0.016 0.000 1.006 347 E CA 0.280 56.684 56.400 0.005 0.000 0.985 347 E CB 0.739 30.448 29.700 0.015 0.000 1.060 347 E HN 0.311 nan 8.360 nan 0.000 0.460 348 T N 1.110 115.674 114.554 0.017 0.000 2.791 348 T HA 0.302 4.653 4.350 0.001 0.000 0.288 348 T C -0.623 174.099 174.700 0.037 0.000 0.999 348 T CA -0.522 61.605 62.100 0.045 0.000 0.952 348 T CB 1.763 70.680 68.868 0.082 0.000 0.938 348 T HN 0.013 nan 8.240 nan 0.000 0.444 349 Q N 1.842 121.666 119.800 0.040 0.000 2.375 349 Q HA 0.738 5.079 4.340 0.001 0.000 0.271 349 Q C -1.853 174.191 176.000 0.073 0.000 1.074 349 Q CA -0.947 54.882 55.803 0.043 0.000 0.808 349 Q CB 1.849 30.593 28.738 0.011 0.000 1.327 349 Q HN 0.783 nan 8.270 nan 0.000 0.441 350 A N 3.596 126.490 122.820 0.122 0.000 2.375 350 A HA 0.492 4.813 4.320 0.001 0.000 0.295 350 A C -1.750 175.893 177.584 0.098 0.000 1.066 350 A CA -0.592 51.511 52.037 0.110 0.000 0.722 350 A CB 1.159 20.260 19.000 0.169 0.000 1.206 350 A HN 0.661 nan 8.150 nan 0.000 0.435 351 L N 4.184 125.437 121.223 0.050 0.000 2.282 351 L HA 0.549 4.890 4.340 0.001 0.000 0.287 351 L C -0.870 176.013 176.870 0.023 0.000 1.075 351 L CA 0.105 54.969 54.840 0.040 0.000 0.839 351 L CB 0.699 42.774 42.059 0.026 0.000 1.219 351 L HN 0.411 nan 8.230 nan 0.000 0.434 352 V N 3.657 123.593 119.914 0.036 0.000 2.459 352 V HA 0.651 4.771 4.120 0.001 0.000 0.295 352 V C 0.342 176.432 176.094 -0.007 0.000 1.029 352 V CA -0.369 61.936 62.300 0.009 0.000 0.874 352 V CB 1.692 33.540 31.823 0.041 0.000 0.985 352 V HN 0.821 nan 8.190 nan 0.000 0.438 353 T N 1.427 115.954 114.554 -0.044 0.000 2.932 353 T HA 0.899 5.249 4.350 0.001 0.000 0.289 353 T C -0.433 174.235 174.700 -0.053 0.000 1.039 353 T CA -0.709 61.366 62.100 -0.042 0.000 1.024 353 T CB 2.148 70.982 68.868 -0.057 0.000 1.090 353 T HN 1.071 nan 8.240 nan 0.000 0.496 354 A N 1.539 124.347 122.820 -0.020 0.000 2.356 354 A HA 0.754 5.074 4.320 0.001 0.000 0.310 354 A C -0.226 177.367 177.584 0.015 0.000 1.075 354 A CA -0.840 51.207 52.037 0.016 0.000 0.746 354 A CB 1.351 20.393 19.000 0.070 0.000 1.221 354 A HN 0.886 nan 8.150 nan 0.000 0.443 355 T N 2.776 117.344 114.554 0.024 0.000 2.848 355 T HA 0.573 4.924 4.350 0.001 0.000 0.285 355 T C -0.495 174.333 174.700 0.212 0.000 0.995 355 T CA -0.258 61.847 62.100 0.007 0.000 0.970 355 T CB 0.926 69.720 68.868 -0.123 0.000 0.976 355 T HN 0.477 nan 8.240 nan 0.000 0.441 356 L N 2.345 123.852 121.223 0.474 0.000 2.309 356 L HA 0.804 5.145 4.340 0.001 0.000 0.282 356 L C 0.747 177.751 176.870 0.224 0.000 1.036 356 L CA -0.551 54.456 54.840 0.278 0.000 0.806 356 L CB 1.461 43.573 42.059 0.089 0.000 1.220 356 L HN 0.818 nan 8.230 nan 0.000 0.429 357 G N 1.056 109.964 108.800 0.181 0.000 2.605 357 G HA2 0.719 4.680 3.960 0.001 0.000 0.296 357 G HA3 0.719 4.680 3.960 0.001 0.000 0.296 357 G C -0.984 174.016 174.900 0.168 0.000 1.304 357 G CA -0.277 44.912 45.100 0.149 0.000 0.941 357 G HN 0.435 nan 8.290 nan 0.000 0.475 375 T N 1.794 116.427 114.554 0.131 0.000 3.014 375 T HA 0.137 4.488 4.350 0.001 0.000 0.263 375 T C 0.316 175.176 174.700 0.268 0.000 1.078 375 T CA 0.482 62.680 62.100 0.164 0.000 1.135 375 T CB -0.131 68.825 68.868 0.146 0.000 0.895 375 T HN 0.229 nan 8.240 nan 0.000 0.480 376 F N 2.424 122.436 119.950 0.103 0.000 2.434 376 F HA 0.599 5.127 4.527 0.001 0.000 0.355 376 F C -1.267 174.617 175.800 0.140 0.000 1.115 376 F CA -1.853 56.224 58.000 0.128 0.000 1.010 376 F CB 0.657 39.736 39.000 0.131 0.000 1.234 376 F HN -0.081 nan 8.300 nan 0.000 0.439 377 L N 6.353 127.395 121.223 -0.302 0.000 2.309 377 L HA 0.479 4.819 4.340 0.001 0.000 0.282 377 L C -1.162 175.456 176.870 -0.420 0.000 1.036 377 L CA -0.757 53.924 54.840 -0.265 0.000 0.806 377 L CB 1.723 43.724 42.059 -0.097 0.000 1.220 377 L HN 0.573 nan 8.230 nan 0.000 0.429 378 F N 1.723 121.460 119.950 -0.355 0.000 2.536 378 F HA 0.406 4.933 4.527 0.001 0.000 0.322 378 F C -0.416 175.388 175.800 0.006 0.000 1.144 378 F CA -0.513 57.349 58.000 -0.229 0.000 0.924 378 F CB 1.177 40.029 39.000 -0.248 0.000 1.181 378 F HN 0.428 nan 8.300 nan 0.000 0.438 379 H N 4.348 123.355 119.070 -0.105 0.000 2.524 379 H HA 0.424 4.981 4.556 0.001 0.000 0.353 379 H C -1.965 173.450 175.328 0.144 0.000 1.136 379 H CA -0.636 55.441 56.048 0.049 0.000 1.193 379 H CB 1.520 31.262 29.762 -0.035 0.000 1.558 379 H HN 0.593 nan 8.280 nan 0.000 0.515 380 Y N 4.268 124.352 120.300 -0.360 0.000 2.346 380 Y HA 0.398 4.948 4.550 0.001 0.000 0.332 380 Y C -1.501 174.276 175.900 -0.205 0.000 0.985 380 Y CA -0.822 57.209 58.100 -0.115 0.000 1.112 380 Y CB 1.014 39.522 38.460 0.080 0.000 1.170 380 Y HN 0.644 nan 8.280 nan 0.000 0.447 381 N N 6.291 124.722 118.700 -0.449 0.000 2.392 381 N HA 0.267 5.008 4.740 0.001 0.000 0.283 381 N C -1.853 173.440 175.510 -0.361 0.000 1.003 381 N CA -0.372 52.511 53.050 -0.277 0.000 0.892 381 N CB 1.708 40.124 38.487 -0.118 0.000 1.193 381 N HN 0.658 nan 8.380 nan 0.000 0.487 382 F N 4.379 124.157 119.950 -0.287 0.000 2.451 382 F HA 0.393 4.920 4.527 0.001 0.000 0.367 382 F C -2.108 173.585 175.800 -0.179 0.000 1.100 382 F CA -1.784 56.082 58.000 -0.224 0.000 1.171 382 F CB 0.956 39.948 39.000 -0.014 0.000 1.405 382 F HN 0.287 nan 8.300 nan 0.000 0.482 383 P HA 0.245 nan 4.420 nan 0.000 0.276 383 P C -2.370 174.603 177.300 -0.545 0.000 1.244 383 P CA -1.427 61.404 63.100 -0.448 0.000 0.801 383 P CB 0.839 32.163 31.700 -0.627 0.000 1.006 384 P HA -0.142 nan 4.420 nan 0.000 0.223 384 P C 1.382 178.599 177.300 -0.139 0.000 1.151 384 P CA 1.360 64.384 63.100 -0.127 0.000 0.787 384 P CB -0.419 31.282 31.700 0.002 0.000 0.788 385 Y N 0.155 120.384 120.300 -0.117 0.000 2.571 385 Y HA 0.013 4.564 4.550 0.001 0.000 0.294 385 Y C 2.196 178.017 175.900 -0.132 0.000 1.141 385 Y CA 0.711 58.751 58.100 -0.100 0.000 1.308 385 Y CB -1.593 36.818 38.460 -0.081 0.000 1.002 385 Y HN -0.054 nan 8.280 nan 0.000 0.551 386 S N 0.677 116.081 115.700 -0.494 0.000 2.402 386 S HA -0.163 4.307 4.470 0.001 0.000 0.229 386 S C 1.541 176.034 174.600 -0.178 0.000 1.021 386 S CA 1.098 59.052 58.200 -0.410 0.000 0.974 386 S CB -0.998 61.736 63.200 -0.777 0.000 0.800 386 S HN 0.532 nan 8.310 nan 0.000 0.484 387 V N -2.722 117.116 119.914 -0.126 0.000 3.578 387 V HA 0.685 4.806 4.120 0.001 0.000 0.290 387 V C 1.242 177.348 176.094 0.020 0.000 1.376 387 V CA -0.151 62.147 62.300 -0.004 0.000 1.083 387 V CB -0.852 31.011 31.823 0.066 0.000 0.911 387 V HN 0.781 nan 8.190 nan 0.000 0.433 388 G N 0.280 109.093 108.800 0.021 0.000 2.248 388 G HA2 -0.197 3.764 3.960 0.001 0.000 0.263 388 G HA3 -0.197 3.764 3.960 0.001 0.000 0.263 388 G C -0.249 174.674 174.900 0.039 0.000 1.082 388 G CA 0.466 45.590 45.100 0.041 0.000 0.863 388 G HN 0.682 nan 8.290 nan 0.000 0.495 389 E N -0.814 119.410 120.200 0.039 0.000 2.378 389 E HA 0.704 5.055 4.350 0.001 0.000 0.265 389 E C -0.101 176.526 176.600 0.045 0.000 0.932 389 E CA -0.455 55.969 56.400 0.040 0.000 0.795 389 E CB 1.565 31.290 29.700 0.042 0.000 1.296 389 E HN 0.394 nan 8.360 nan 0.000 0.438 390 T N -1.023 113.555 114.554 0.041 0.000 2.893 390 T HA 0.662 5.013 4.350 0.001 0.000 0.324 390 T C 0.041 174.765 174.700 0.040 0.000 1.082 390 T CA -0.708 61.417 62.100 0.042 0.000 0.983 390 T CB 0.848 69.736 68.868 0.034 0.000 1.005 390 T HN 0.522 nan 8.240 nan 0.000 0.475 391 G N 2.508 111.333 108.800 0.043 0.000 3.257 391 G HA2 0.703 4.664 3.960 0.001 0.000 0.205 391 G HA3 0.703 4.664 3.960 0.001 0.000 0.205 391 G C -0.680 174.245 174.900 0.042 0.000 1.234 391 G CA -1.225 43.901 45.100 0.043 0.000 0.918 391 G HN 0.671 nan 8.290 nan 0.000 0.602 392 M N -0.063 119.564 119.600 0.044 0.000 2.371 392 M HA 0.534 5.015 4.480 0.001 0.000 0.301 392 M C -0.256 176.072 176.300 0.046 0.000 1.173 392 M CA -0.686 54.640 55.300 0.042 0.000 1.020 392 M CB 1.999 34.623 32.600 0.040 0.000 1.490 392 M HN 0.386 nan 8.290 nan 0.000 0.485 393 V N -1.098 118.843 119.914 0.045 0.000 2.656 393 V HA 0.919 5.040 4.120 0.001 0.000 0.307 393 V C 0.218 176.342 176.094 0.050 0.000 1.051 393 V CA 0.004 62.333 62.300 0.047 0.000 0.893 393 V CB 0.856 32.709 31.823 0.049 0.000 0.999 393 V HN 1.097 nan 8.190 nan 0.000 0.426 394 G N 3.033 111.868 108.800 0.059 0.000 2.284 394 G HA2 -0.224 3.737 3.960 0.001 0.000 0.230 394 G HA3 -0.224 3.737 3.960 0.001 0.000 0.230 394 G C 0.507 175.451 174.900 0.072 0.000 1.021 394 G CA 0.489 45.630 45.100 0.068 0.000 0.619 394 G HN 2.169 nan 8.290 nan 0.000 0.510 395 S N 2.410 118.147 115.700 0.063 0.000 2.416 395 S HA 0.590 5.060 4.470 0.001 0.000 0.287 395 S C -1.764 172.875 174.600 0.066 0.000 1.139 395 S CA -0.738 57.497 58.200 0.058 0.000 1.058 395 S CB 1.562 64.790 63.200 0.046 0.000 0.967 395 S HN 0.401 nan 8.310 nan 0.000 0.495 396 P HA 0.179 nan 4.420 nan 0.000 0.263 396 P C -0.027 177.296 177.300 0.039 0.000 1.345 396 P CA -0.074 63.063 63.100 0.062 0.000 1.119 396 P CB -0.476 31.257 31.700 0.054 0.000 1.363 397 K N 2.538 122.966 120.400 0.046 0.000 2.034 397 K HA 0.277 4.598 4.320 0.001 0.000 0.225 397 K C 1.226 177.812 176.600 -0.024 0.000 1.190 397 K CA 0.462 56.759 56.287 0.017 0.000 1.152 397 K CB -1.602 30.919 32.500 0.035 0.000 1.300 397 K HN 0.619 nan 8.250 nan 0.000 0.268 398 R N -1.610 118.868 120.500 -0.036 0.000 3.591 398 R HA -0.212 4.129 4.340 0.001 0.000 0.268 398 R C 1.454 177.673 176.300 -0.135 0.000 1.102 398 R CA 3.685 59.741 56.100 -0.074 0.000 0.732 398 R CB -2.964 27.296 30.300 -0.066 0.000 1.117 398 R HN 2.070 nan 8.270 nan 0.000 0.472 399 R N -1.229 119.185 120.500 -0.144 0.000 4.528 399 R HA 0.289 4.630 4.340 0.001 0.000 0.121 399 R C 2.010 178.168 176.300 -0.237 0.000 0.727 399 R CA 1.007 56.947 56.100 -0.267 0.000 0.977 399 R CB -0.400 29.816 30.300 -0.140 0.000 1.506 399 R HN 0.575 nan 8.270 nan 0.000 0.428 400 E N 1.110 121.320 120.200 0.018 0.000 2.136 400 E HA -0.203 4.148 4.350 0.001 0.000 0.202 400 E C 1.883 178.495 176.600 0.019 0.000 1.019 400 E CA 2.004 58.520 56.400 0.194 0.000 0.819 400 E CB -0.391 29.433 29.700 0.207 0.000 0.739 400 E HN 0.645 nan 8.360 nan 0.000 0.458 401 I N 0.174 120.712 120.570 -0.053 0.000 2.315 401 I HA -0.135 4.036 4.170 0.001 0.000 0.248 401 I C 2.544 178.569 176.117 -0.153 0.000 1.117 401 I CA 1.061 62.320 61.300 -0.069 0.000 1.404 401 I CB -0.465 37.508 38.000 -0.044 0.000 1.071 401 I HN 0.121 nan 8.210 nan 0.000 0.419 402 G N 0.303 108.946 108.800 -0.262 0.000 2.394 402 G HA2 -0.186 3.774 3.960 0.001 0.000 0.214 402 G HA3 -0.186 3.774 3.960 0.001 0.000 0.214 402 G C 1.519 176.187 174.900 -0.386 0.000 1.176 402 G CA 0.498 45.392 45.100 -0.342 0.000 0.786 402 G HN 0.347 nan 8.290 nan 0.000 0.533 403 H N 0.653 119.490 119.070 -0.387 0.000 2.462 403 H HA 0.008 4.565 4.556 0.001 0.000 0.292 403 H C 2.798 177.735 175.328 -0.652 0.000 1.049 403 H CA 0.927 56.614 56.048 -0.602 0.000 1.334 403 H CB -0.618 28.567 29.762 -0.962 0.000 1.404 403 H HN 0.367 nan 8.280 nan 0.000 0.544 404 G N 0.765 109.320 108.800 -0.408 0.000 2.402 404 G HA2 -0.258 3.703 3.960 0.001 0.000 0.216 404 G HA3 -0.258 3.703 3.960 0.001 0.000 0.216 404 G C 2.012 176.789 174.900 -0.204 0.000 1.162 404 G CA 0.529 45.556 45.100 -0.123 0.000 0.777 404 G HN 0.257 nan 8.290 nan 0.000 0.539 405 R N 0.169 120.563 120.500 -0.176 0.000 2.115 405 R HA 0.223 4.564 4.340 0.001 0.000 0.226 405 R C 2.375 178.548 176.300 -0.211 0.000 1.100 405 R CA 0.680 56.681 56.100 -0.166 0.000 0.980 405 R CB -0.793 29.443 30.300 -0.107 0.000 0.875 405 R HN 0.387 nan 8.270 nan 0.000 0.445 406 L N -0.487 120.604 121.223 -0.220 0.000 2.017 406 L HA -0.092 4.249 4.340 0.001 0.000 0.208 406 L C 1.966 178.685 176.870 -0.250 0.000 1.073 406 L CA 1.686 56.409 54.840 -0.196 0.000 0.745 406 L CB -0.433 41.534 42.059 -0.153 0.000 0.894 406 L HN 0.356 nan 8.230 nan 0.000 0.432 407 A N -0.727 121.876 122.820 -0.362 0.000 2.014 407 A HA -0.215 4.106 4.320 0.001 0.000 0.218 407 A C 2.311 179.442 177.584 -0.755 0.000 1.163 407 A CA 1.475 53.229 52.037 -0.472 0.000 0.652 407 A CB -0.333 18.423 19.000 -0.406 0.000 0.808 407 A HN 0.390 nan 8.150 nan 0.000 0.449 408 K N -0.233 119.658 120.400 -0.849 0.000 2.057 408 K HA -0.089 4.231 4.320 0.001 0.000 0.206 408 K C 2.136 178.671 176.600 -0.109 0.000 1.050 408 K CA 1.180 57.167 56.287 -0.500 0.000 0.935 408 K CB -0.141 32.192 32.500 -0.278 0.000 0.715 408 K HN 0.389 nan 8.250 nan 0.000 0.439 409 R N -0.554 119.862 120.500 -0.140 0.000 2.148 409 R HA -0.046 4.295 4.340 0.001 0.000 0.227 409 R C 2.219 178.468 176.300 -0.085 0.000 1.103 409 R CA 1.100 57.153 56.100 -0.079 0.000 0.983 409 R CB -0.175 30.073 30.300 -0.086 0.000 0.874 409 R HN 0.326 nan 8.270 nan 0.000 0.451 410 G N -0.524 108.205 108.800 -0.118 0.000 2.511 410 G HA2 -0.093 3.868 3.960 0.001 0.000 0.217 410 G HA3 -0.093 3.868 3.960 0.001 0.000 0.217 410 G C 1.149 176.008 174.900 -0.070 0.000 1.133 410 G CA 0.347 45.388 45.100 -0.099 0.000 0.792 410 G HN 0.153 nan 8.290 nan 0.000 0.539 411 V N -0.121 119.766 119.914 -0.045 0.000 3.523 411 V HA 0.166 4.287 4.120 0.001 0.000 0.255 411 V C 2.209 178.228 176.094 -0.125 0.000 1.226 411 V CA 0.072 62.357 62.300 -0.025 0.000 1.092 411 V CB 0.540 32.446 31.823 0.138 0.000 0.817 411 V HN 0.258 nan 8.190 nan 0.000 0.458 412 L N 1.500 122.667 121.223 -0.093 0.000 2.191 412 L HA -0.039 4.302 4.340 0.001 0.000 0.212 412 L C 2.381 179.171 176.870 -0.134 0.000 1.103 412 L CA 2.151 56.902 54.840 -0.148 0.000 0.769 412 L CB -0.660 41.396 42.059 -0.004 0.000 0.908 412 L HN 0.268 nan 8.230 nan 0.000 0.438 413 A N -1.077 121.685 122.820 -0.096 0.000 1.929 413 A HA -0.095 4.225 4.320 0.001 0.000 0.216 413 A C 2.067 179.599 177.584 -0.087 0.000 1.176 413 A CA 1.662 53.653 52.037 -0.077 0.000 0.628 413 A CB -0.873 18.090 19.000 -0.062 0.000 0.816 413 A HN 0.393 nan 8.150 nan 0.000 0.444 414 V N -3.649 116.203 119.914 -0.104 0.000 3.541 414 V HA 0.183 4.304 4.120 0.001 0.000 0.267 414 V C 0.775 176.790 176.094 -0.131 0.000 1.213 414 V CA -0.163 62.077 62.300 -0.100 0.000 1.149 414 V CB -0.915 30.857 31.823 -0.086 0.000 0.822 414 V HN 0.332 nan 8.190 nan 0.000 0.462 415 M N 3.257 122.744 119.600 -0.188 0.000 2.252 415 M HA 0.308 4.789 4.480 0.001 0.000 0.348 415 M C -2.118 174.107 176.300 -0.124 0.000 1.334 415 M CA -1.964 53.200 55.300 -0.227 0.000 1.071 415 M CB 0.069 32.427 32.600 -0.404 0.000 1.763 415 M HN 0.195 nan 8.290 nan 0.000 0.452 416 P HA 0.080 nan 4.420 nan 0.000 0.272 416 P C -0.611 176.715 177.300 0.044 0.000 1.223 416 P CA -0.228 62.858 63.100 -0.024 0.000 0.784 416 P CB 0.634 32.309 31.700 -0.041 0.000 0.923 417 D N 1.742 122.174 120.400 0.052 0.000 2.382 417 D HA 0.037 4.678 4.640 0.001 0.000 0.240 417 D C 1.643 178.002 176.300 0.100 0.000 1.146 417 D CA -0.056 53.979 54.000 0.059 0.000 0.897 417 D CB 0.585 41.409 40.800 0.039 0.000 1.197 417 D HN 0.246 nan 8.370 nan 0.000 0.432 418 M N 1.014 120.656 119.600 0.070 0.000 2.460 418 M HA -0.097 4.384 4.480 0.001 0.000 0.263 418 M C 0.881 177.191 176.300 0.017 0.000 1.071 418 M CA 1.054 56.384 55.300 0.050 0.000 1.096 418 M CB -0.404 32.211 32.600 0.025 0.000 1.408 418 M HN 0.298 nan 8.290 nan 0.000 0.463 419 D N -0.012 120.404 120.400 0.027 0.000 2.162 419 D HA -0.110 4.531 4.640 0.001 0.000 0.203 419 D C 1.992 178.311 176.300 0.033 0.000 0.967 419 D CA 1.068 55.076 54.000 0.014 0.000 0.840 419 D CB -0.013 40.796 40.800 0.014 0.000 0.972 419 D HN 0.212 nan 8.370 nan 0.000 0.482 420 K N -0.721 119.726 120.400 0.078 0.000 2.166 420 K HA 0.039 4.360 4.320 0.001 0.000 0.201 420 K C -0.211 176.530 176.600 0.235 0.000 1.052 420 K CA 0.282 56.643 56.287 0.123 0.000 0.969 420 K CB 0.192 32.759 32.500 0.112 0.000 0.761 420 K HN -0.029 nan 8.250 nan 0.000 0.459 421 F N 2.062 122.042 119.950 0.050 0.000 2.824 421 F HA 0.369 4.896 4.527 0.001 0.000 0.375 421 F C -2.567 173.268 175.800 0.059 0.000 1.190 421 F CA -2.749 55.329 58.000 0.130 0.000 1.180 421 F CB 1.709 40.805 39.000 0.160 0.000 1.477 421 F HN -0.093 nan 8.300 nan 0.000 0.542 422 P HA 0.222 nan 4.420 nan 0.000 0.225 422 P C -1.668 175.110 177.300 -0.870 0.000 1.830 422 P CA 0.147 62.949 63.100 -0.496 0.000 1.051 422 P CB -0.433 30.996 31.700 -0.451 0.000 1.929 423 Y N -1.282 118.840 120.300 -0.297 0.000 2.504 423 Y HA 0.336 4.887 4.550 0.001 0.000 0.344 423 Y C 0.705 176.605 175.900 0.001 0.000 1.023 423 Y CA -0.869 57.093 58.100 -0.230 0.000 1.020 423 Y CB 1.581 39.755 38.460 -0.477 0.000 1.282 423 Y HN -0.202 nan 8.280 nan 0.000 0.454 424 T N 3.231 117.899 114.554 0.189 0.000 2.761 424 T HA 0.417 4.768 4.350 0.001 0.000 0.296 424 T C -0.377 174.463 174.700 0.234 0.000 0.934 424 T CA -0.427 61.785 62.100 0.187 0.000 1.091 424 T CB 0.058 68.999 68.868 0.121 0.000 0.896 424 T HN 0.308 nan 8.240 nan 0.000 0.515 425 V N 4.782 124.873 119.914 0.294 0.000 2.384 425 V HA 0.514 4.635 4.120 0.001 0.000 0.287 425 V C 0.238 176.451 176.094 0.200 0.000 1.020 425 V CA -0.970 61.517 62.300 0.312 0.000 0.850 425 V CB 1.459 33.553 31.823 0.451 0.000 0.987 425 V HN 0.723 nan 8.190 nan 0.000 0.436 426 R N 3.472 124.025 120.500 0.088 0.000 2.387 426 R HA 0.746 5.087 4.340 0.001 0.000 0.314 426 R C -1.650 174.591 176.300 -0.098 0.000 0.958 426 R CA -0.413 55.656 56.100 -0.051 0.000 0.846 426 R CB 1.856 32.124 30.300 -0.053 0.000 1.147 426 R HN 0.559 nan 8.270 nan 0.000 0.447 427 V N 5.512 125.269 119.914 -0.262 0.000 2.378 427 V HA 0.354 4.475 4.120 0.001 0.000 0.288 427 V C -0.508 175.246 176.094 -0.568 0.000 1.016 427 V CA -0.768 61.303 62.300 -0.381 0.000 0.840 427 V CB 1.695 33.264 31.823 -0.424 0.000 0.994 427 V HN 0.497 nan 8.190 nan 0.000 0.431 428 V N 3.790 123.508 119.914 -0.325 0.000 2.384 428 V HA 0.500 4.621 4.120 0.001 0.000 0.287 428 V C 0.232 176.218 176.094 -0.180 0.000 1.020 428 V CA -0.247 61.926 62.300 -0.211 0.000 0.850 428 V CB 1.857 33.634 31.823 -0.076 0.000 0.987 428 V HN 0.837 nan 8.190 nan 0.000 0.436 429 S N 4.101 119.713 115.700 -0.147 0.000 2.437 429 S HA 0.480 4.951 4.470 0.001 0.000 0.305 429 S C -0.523 174.009 174.600 -0.114 0.000 1.109 429 S CA -0.686 57.477 58.200 -0.061 0.000 1.099 429 S CB 0.754 64.019 63.200 0.110 0.000 1.004 429 S HN 0.731 nan 8.310 nan 0.000 0.475 430 E N 4.507 124.656 120.200 -0.085 0.000 2.102 430 E HA 0.250 4.600 4.350 0.001 0.000 0.263 430 E C -0.547 175.977 176.600 -0.128 0.000 0.894 430 E CA -0.672 55.660 56.400 -0.114 0.000 0.746 430 E CB 0.977 30.653 29.700 -0.040 0.000 1.129 430 E HN 0.542 nan 8.360 nan 0.000 0.416 431 I N 3.902 124.322 120.570 -0.250 0.000 2.372 431 I HA -0.037 4.133 4.170 0.001 0.000 0.298 431 I C 1.781 177.718 176.117 -0.301 0.000 1.137 431 I CA 0.334 61.489 61.300 -0.241 0.000 1.314 431 I CB -0.654 37.165 38.000 -0.303 0.000 1.444 431 I HN 0.401 nan 8.210 nan 0.000 0.541 432 T N 2.373 116.858 114.554 -0.116 0.000 2.978 432 T HA 0.150 4.501 4.350 0.001 0.000 0.262 432 T C 0.625 175.307 174.700 -0.030 0.000 1.063 432 T CA 0.322 62.427 62.100 0.008 0.000 1.140 432 T CB 0.279 69.216 68.868 0.114 0.000 0.886 432 T HN 0.532 nan 8.240 nan 0.000 0.470 433 E N 0.305 120.470 120.200 -0.059 0.000 2.314 433 E HA 0.595 4.946 4.350 0.001 0.000 0.272 433 E C -1.629 174.951 176.600 -0.033 0.000 0.884 433 E CA -0.630 55.744 56.400 -0.043 0.000 0.753 433 E CB 2.341 32.041 29.700 0.001 0.000 1.213 433 E HN 0.095 nan 8.360 nan 0.000 0.432 434 S N 2.171 117.862 115.700 -0.015 0.000 2.733 434 S HA 0.472 4.942 4.470 0.001 0.000 0.294 434 S C -1.172 173.484 174.600 0.094 0.000 1.149 434 S CA -0.587 57.662 58.200 0.081 0.000 1.034 434 S CB 0.456 63.769 63.200 0.187 0.000 1.015 434 S HN 0.536 nan 8.310 nan 0.000 0.486 435 N N 2.894 121.646 118.700 0.087 0.000 2.581 435 N HA 0.369 5.110 4.740 0.001 0.000 0.274 435 N C -0.644 174.902 175.510 0.060 0.000 1.629 435 N CA 0.589 53.682 53.050 0.073 0.000 0.884 435 N CB 0.859 39.378 38.487 0.054 0.000 1.423 435 N HN 0.976 nan 8.380 nan 0.000 0.507 436 G N 0.678 109.512 108.800 0.057 0.000 2.594 436 G HA2 0.254 4.215 3.960 0.001 0.000 0.422 436 G HA3 0.254 4.215 3.960 0.001 0.000 0.422 436 G C -0.334 174.586 174.900 0.034 0.000 1.190 436 G CA -0.259 44.861 45.100 0.034 0.000 1.234 436 G HN 0.990 nan 8.290 nan 0.000 0.584 437 S N 0.092 115.787 115.700 -0.008 0.000 3.578 437 S HA -0.133 4.338 4.470 0.001 0.000 0.449 437 S C 1.827 176.436 174.600 0.015 0.000 0.853 437 S CA 1.404 59.580 58.200 -0.040 0.000 1.348 437 S CB -1.237 61.953 63.200 -0.018 0.000 0.907 437 S HN 2.428 nan 8.310 nan 0.000 0.627 438 S N 1.498 117.219 115.700 0.036 0.000 2.515 438 S HA -0.037 4.434 4.470 0.001 0.000 0.231 438 S C 2.011 176.731 174.600 0.201 0.000 0.987 438 S CA 0.881 59.183 58.200 0.169 0.000 0.936 438 S CB -0.254 63.135 63.200 0.315 0.000 0.766 438 S HN 1.403 nan 8.310 nan 0.000 0.528 439 S N 2.155 117.853 115.700 -0.003 0.000 2.387 439 S HA 0.073 4.544 4.470 0.001 0.000 0.226 439 S C 1.884 176.487 174.600 0.006 0.000 1.026 439 S CA 0.681 58.852 58.200 -0.048 0.000 0.972 439 S CB -0.521 62.551 63.200 -0.214 0.000 0.814 439 S HN 0.330 nan 8.310 nan 0.000 0.477 440 M N 1.673 121.271 119.600 -0.005 0.000 2.349 440 M HA 0.254 4.735 4.480 0.001 0.000 0.266 440 M C 2.507 178.813 176.300 0.010 0.000 1.076 440 M CA 1.162 56.456 55.300 -0.009 0.000 1.126 440 M CB -1.564 31.032 32.600 -0.008 0.000 1.392 440 M HN 0.566 nan 8.290 nan 0.000 0.440 441 A N -0.468 122.412 122.820 0.100 0.000 2.014 441 A HA -0.043 4.277 4.320 0.001 0.000 0.218 441 A C 2.395 180.040 177.584 0.101 0.000 1.163 441 A CA 1.543 53.681 52.037 0.169 0.000 0.652 441 A CB -0.497 18.697 19.000 0.325 0.000 0.808 441 A HN 0.442 nan 8.150 nan 0.000 0.449 442 S N -0.364 115.434 115.700 0.164 0.000 2.406 442 S HA -0.077 4.394 4.470 0.001 0.000 0.228 442 S C 1.822 176.539 174.600 0.195 0.000 1.020 442 S CA 1.220 59.567 58.200 0.246 0.000 0.965 442 S CB -0.242 63.222 63.200 0.441 0.000 0.798 442 S HN 0.368 nan 8.310 nan 0.000 0.488 443 V N 1.149 121.100 119.914 0.060 0.000 2.358 443 V HA -0.210 3.911 4.120 0.001 0.000 0.246 443 V C 2.425 178.467 176.094 -0.087 0.000 1.047 443 V CA 1.446 63.746 62.300 -0.000 0.000 1.035 443 V CB -1.015 30.769 31.823 -0.066 0.000 0.658 443 V HN 0.572 nan 8.190 nan 0.000 0.452 444 C N 1.018 120.153 119.300 -0.276 0.000 2.429 444 C HA -0.024 4.437 4.460 0.001 0.000 0.277 444 C C 2.949 177.726 174.990 -0.355 0.000 1.262 444 C CA 0.729 59.426 59.018 -0.536 0.000 1.733 444 C CB -1.710 25.158 27.740 -1.453 0.000 2.010 444 C HN 0.662 nan 8.230 nan 0.000 0.483 445 G N 0.284 108.960 108.800 -0.207 0.000 2.422 445 G HA2 0.039 4.000 3.960 0.001 0.000 0.218 445 G HA3 0.039 4.000 3.960 0.001 0.000 0.218 445 G C 1.842 176.769 174.900 0.045 0.000 1.140 445 G CA 0.967 46.069 45.100 0.002 0.000 0.775 445 G HN 0.612 nan 8.290 nan 0.000 0.545 446 A N 0.605 123.479 122.820 0.092 0.000 1.898 446 A HA 0.020 4.341 4.320 0.001 0.000 0.216 446 A C 2.610 180.252 177.584 0.097 0.000 1.181 446 A CA 2.170 54.298 52.037 0.152 0.000 0.620 446 A CB -0.792 18.425 19.000 0.363 0.000 0.819 446 A HN 0.388 nan 8.150 nan 0.000 0.442 447 S N -0.509 115.216 115.700 0.043 0.000 2.382 447 S HA -0.095 4.375 4.470 0.001 0.000 0.228 447 S C 1.857 176.458 174.600 0.000 0.000 1.027 447 S CA 1.516 59.719 58.200 0.005 0.000 0.991 447 S CB -0.470 62.709 63.200 -0.035 0.000 0.823 447 S HN 0.479 nan 8.310 nan 0.000 0.469 448 L N 0.732 121.958 121.223 0.004 0.000 2.179 448 L HA 0.130 4.471 4.340 0.001 0.000 0.208 448 L C 2.847 179.733 176.870 0.027 0.000 1.096 448 L CA 0.992 55.843 54.840 0.018 0.000 0.779 448 L CB -0.554 41.529 42.059 0.039 0.000 0.922 448 L HN 0.342 nan 8.230 nan 0.000 0.443 449 A N 0.122 122.964 122.820 0.036 0.000 1.968 449 A HA -0.061 4.259 4.320 0.001 0.000 0.217 449 A C 2.256 179.864 177.584 0.039 0.000 1.169 449 A CA 1.101 53.161 52.037 0.038 0.000 0.638 449 A CB -0.511 18.511 19.000 0.037 0.000 0.812 449 A HN 0.327 nan 8.150 nan 0.000 0.446 450 L N -1.239 120.008 121.223 0.040 0.000 2.093 450 L HA -0.122 4.219 4.340 0.001 0.000 0.208 450 L C 2.774 179.633 176.870 -0.019 0.000 1.085 450 L CA 1.241 56.095 54.840 0.023 0.000 0.755 450 L CB -0.373 41.698 42.059 0.020 0.000 0.904 450 L HN 0.382 nan 8.230 nan 0.000 0.435 451 M N -0.769 118.819 119.600 -0.019 0.000 2.296 451 M HA -0.195 4.286 4.480 0.001 0.000 0.265 451 M C 1.707 177.999 176.300 -0.015 0.000 1.064 451 M CA 1.378 56.660 55.300 -0.030 0.000 1.109 451 M CB -0.329 32.258 32.600 -0.023 0.000 1.396 451 M HN 0.174 nan 8.290 nan 0.000 0.430 452 D N 0.397 120.799 120.400 0.005 0.000 2.149 452 D HA -0.035 4.605 4.640 0.001 0.000 0.201 452 D C 1.809 178.122 176.300 0.021 0.000 0.972 452 D CA 1.369 55.378 54.000 0.015 0.000 0.835 452 D CB 0.202 41.017 40.800 0.026 0.000 0.966 452 D HN 0.252 nan 8.370 nan 0.000 0.476 453 A N -0.739 122.099 122.820 0.030 0.000 2.066 453 A HA 0.354 4.674 4.320 0.001 0.000 0.218 453 A C 1.896 179.485 177.584 0.009 0.000 1.157 453 A CA 1.425 53.493 52.037 0.051 0.000 0.670 453 A CB -0.387 18.668 19.000 0.093 0.000 0.804 453 A HN 0.488 nan 8.150 nan 0.000 0.453 454 G N -1.999 106.785 108.800 -0.027 0.000 2.148 454 G HA2 -0.152 3.809 3.960 0.001 0.000 0.203 454 G HA3 -0.152 3.809 3.960 0.001 0.000 0.203 454 G C 0.061 174.865 174.900 -0.160 0.000 0.993 454 G CA -0.056 45.009 45.100 -0.057 0.000 0.661 454 G HN 0.793 nan 8.290 nan 0.000 0.518 455 V N 2.428 122.209 119.914 -0.222 0.000 2.439 455 V HA 0.345 4.466 4.120 0.001 0.000 0.271 455 V C -1.193 174.642 176.094 -0.433 0.000 1.040 455 V CA -0.697 61.288 62.300 -0.526 0.000 1.002 455 V CB 1.076 32.713 31.823 -0.310 0.000 1.000 455 V HN 0.247 nan 8.190 nan 0.000 0.477 456 P HA 0.218 nan 4.420 nan 0.000 0.237 456 P C 0.039 177.202 177.300 -0.228 0.000 1.788 456 P CA -0.210 62.716 63.100 -0.290 0.000 1.061 456 P CB -0.282 31.282 31.700 -0.228 0.000 1.967 457 I N -1.584 118.874 120.570 -0.187 0.000 2.754 457 I HA 0.145 4.316 4.170 0.001 0.000 0.285 457 I C 1.353 177.412 176.117 -0.098 0.000 1.166 457 I CA -0.427 60.790 61.300 -0.138 0.000 1.417 457 I CB 0.612 38.542 38.000 -0.117 0.000 1.382 457 I HN -0.057 nan 8.210 nan 0.000 0.588 458 K N 3.814 124.164 120.400 -0.083 0.000 2.063 458 K HA 0.034 4.355 4.320 0.001 0.000 0.208 458 K C 0.624 177.193 176.600 -0.052 0.000 1.048 458 K CA 1.710 57.961 56.287 -0.060 0.000 0.928 458 K CB -0.179 32.289 32.500 -0.053 0.000 0.713 458 K HN 0.873 nan 8.250 nan 0.000 0.442 459 A N -0.269 122.518 122.820 -0.055 0.000 2.606 459 A HA 0.658 4.978 4.320 0.001 0.000 0.293 459 A C -1.538 176.017 177.584 -0.048 0.000 1.082 459 A CA -0.676 51.334 52.037 -0.045 0.000 0.685 459 A CB 1.222 20.199 19.000 -0.038 0.000 1.284 459 A HN 0.121 nan 8.150 nan 0.000 0.408 460 A N -0.114 122.682 122.820 -0.041 0.000 2.462 460 A HA 0.546 4.866 4.320 0.001 0.000 0.243 460 A C -0.045 177.511 177.584 -0.046 0.000 1.076 460 A CA 0.137 52.149 52.037 -0.041 0.000 0.773 460 A CB 0.296 19.276 19.000 -0.034 0.000 1.010 460 A HN 2.086 nan 8.150 nan 0.000 0.493 461 V N 1.721 121.602 119.914 -0.054 0.000 2.588 461 V HA 0.781 4.902 4.120 0.001 0.000 0.304 461 V C -0.003 176.039 176.094 -0.087 0.000 1.042 461 V CA 0.284 62.548 62.300 -0.061 0.000 0.877 461 V CB 1.482 33.271 31.823 -0.057 0.000 0.996 461 V HN 1.631 nan 8.190 nan 0.000 0.425 462 A N 4.271 127.040 122.820 -0.084 0.000 2.469 462 A HA 1.036 5.356 4.320 0.001 0.000 0.299 462 A C -0.164 177.370 177.584 -0.083 0.000 1.098 462 A CA -0.174 51.795 52.037 -0.114 0.000 0.737 462 A CB 2.071 21.018 19.000 -0.088 0.000 1.312 462 A HN 1.644 nan 8.150 nan 0.000 0.414 463 G N -0.481 108.266 108.800 -0.089 0.000 2.612 463 G HA2 0.748 4.708 3.960 0.001 0.000 0.298 463 G HA3 0.748 4.708 3.960 0.001 0.000 0.298 463 G C -1.214 173.681 174.900 -0.008 0.000 1.336 463 G CA -0.421 44.646 45.100 -0.055 0.000 0.953 463 G HN 1.336 nan 8.290 nan 0.000 0.482 464 I N -1.351 119.219 120.570 -0.001 0.000 2.994 464 I HA 0.868 5.039 4.170 0.001 0.000 0.306 464 I C -0.082 176.046 176.117 0.017 0.000 1.195 464 I CA -1.810 59.511 61.300 0.036 0.000 1.001 464 I CB 1.926 39.966 38.000 0.067 0.000 1.244 464 I HN 0.749 nan 8.210 nan 0.000 0.437 465 A N 4.973 127.817 122.820 0.041 0.000 2.317 465 A HA 0.942 5.262 4.320 0.001 0.000 0.327 465 A C -0.524 177.114 177.584 0.091 0.000 1.178 465 A CA -0.593 51.470 52.037 0.043 0.000 0.817 465 A CB 0.941 19.955 19.000 0.024 0.000 1.189 465 A HN 0.645 nan 8.150 nan 0.000 0.489 466 M N 1.790 121.483 119.600 0.155 0.000 2.528 466 M HA 0.583 5.064 4.480 0.001 0.000 0.321 466 M C 0.293 176.683 176.300 0.151 0.000 1.153 466 M CA -0.398 55.014 55.300 0.187 0.000 0.951 466 M CB 1.500 34.298 32.600 0.329 0.000 1.705 466 M HN 0.831 nan 8.290 nan 0.000 0.451 467 G N 1.284 110.136 108.800 0.087 0.000 2.537 467 G HA2 0.817 4.778 3.960 0.001 0.000 0.308 467 G HA3 0.817 4.778 3.960 0.001 0.000 0.308 467 G C -2.178 172.740 174.900 0.031 0.000 1.237 467 G CA -0.474 44.660 45.100 0.056 0.000 0.968 467 G HN 0.577 nan 8.290 nan 0.000 0.481 468 L N 0.737 121.974 121.223 0.023 0.000 2.470 468 L HA 0.652 4.993 4.340 0.001 0.000 0.268 468 L C -0.989 175.901 176.870 0.033 0.000 0.964 468 L CA -0.588 54.267 54.840 0.025 0.000 0.839 468 L CB 2.414 44.465 42.059 -0.012 0.000 1.276 468 L HN 0.377 nan 8.230 nan 0.000 0.403 469 V N 4.136 124.079 119.914 0.048 0.000 2.409 469 V HA 0.576 4.697 4.120 0.001 0.000 0.291 469 V C -0.309 175.824 176.094 0.065 0.000 1.020 469 V CA -0.729 61.598 62.300 0.044 0.000 0.848 469 V CB 1.414 33.258 31.823 0.035 0.000 0.990 469 V HN 0.733 nan 8.190 nan 0.000 0.430 470 K N 2.935 123.367 120.400 0.053 0.000 2.324 470 K HA 0.784 5.104 4.320 0.001 0.000 0.253 470 K C -0.529 176.097 176.600 0.042 0.000 0.932 470 K CA -0.161 56.165 56.287 0.066 0.000 0.799 470 K CB 2.001 34.525 32.500 0.041 0.000 1.154 470 K HN 0.860 nan 8.250 nan 0.000 0.425 471 E N 2.384 122.613 120.200 0.049 0.000 2.316 471 E HA 0.468 4.818 4.350 0.001 0.000 0.254 471 E C 0.395 177.013 176.600 0.031 0.000 0.902 471 E CA -0.460 55.958 56.400 0.031 0.000 0.801 471 E CB 0.745 30.460 29.700 0.025 0.000 1.270 471 E HN 1.023 nan 8.360 nan 0.000 0.414 472 G N 1.916 110.728 108.800 0.020 0.000 2.620 472 G HA2 -0.356 3.605 3.960 0.001 0.000 0.315 472 G HA3 -0.356 3.605 3.960 0.001 0.000 0.315 472 G C 0.718 175.635 174.900 0.027 0.000 1.179 472 G CA 0.771 45.882 45.100 0.017 0.000 0.971 472 G HN 0.683 nan 8.290 nan 0.000 0.544 473 D N 1.213 121.638 120.400 0.042 0.000 2.398 473 D HA 0.138 4.779 4.640 0.001 0.000 0.210 473 D C 0.729 177.111 176.300 0.137 0.000 1.094 473 D CA -0.000 54.041 54.000 0.068 0.000 0.839 473 D CB 0.076 40.905 40.800 0.048 0.000 0.963 473 D HN 0.255 nan 8.370 nan 0.000 0.506 474 N N 1.291 120.051 118.700 0.101 0.000 2.408 474 N HA 0.101 4.842 4.740 0.001 0.000 0.257 474 N C -1.225 174.365 175.510 0.134 0.000 1.064 474 N CA -0.301 52.799 53.050 0.083 0.000 0.952 474 N CB 0.122 38.622 38.487 0.021 0.000 1.093 474 N HN -0.028 nan 8.380 nan 0.000 0.490 475 Y N 1.102 121.387 120.300 -0.025 0.000 2.512 475 Y HA 0.756 5.307 4.550 0.001 0.000 0.348 475 Y C -1.447 174.435 175.900 -0.030 0.000 0.990 475 Y CA -1.296 56.786 58.100 -0.031 0.000 1.033 475 Y CB 0.874 39.309 38.460 -0.043 0.000 1.259 475 Y HN 0.058 nan 8.280 nan 0.000 0.461 476 V N 4.020 123.924 119.914 -0.016 0.000 2.483 476 V HA 0.418 4.539 4.120 0.001 0.000 0.297 476 V C -0.634 175.468 176.094 0.013 0.000 1.027 476 V CA -0.991 61.258 62.300 -0.084 0.000 0.855 476 V CB 1.499 33.288 31.823 -0.056 0.000 0.995 476 V HN 0.764 nan 8.190 nan 0.000 0.424 477 V N 6.361 126.274 119.914 -0.002 0.000 2.432 477 V HA 0.358 4.478 4.120 0.001 0.000 0.271 477 V C -0.220 175.881 176.094 0.012 0.000 1.046 477 V CA -0.375 61.943 62.300 0.030 0.000 0.945 477 V CB 1.047 32.894 31.823 0.041 0.000 0.992 477 V HN 0.552 nan 8.190 nan 0.000 0.471 478 L N 4.589 125.827 121.223 0.024 0.000 2.295 478 L HA 0.497 4.838 4.340 0.001 0.000 0.285 478 L C 0.470 177.365 176.870 0.042 0.000 1.035 478 L CA 0.425 55.280 54.840 0.026 0.000 0.806 478 L CB 1.603 43.679 42.059 0.028 0.000 1.214 478 L HN 0.594 nan 8.230 nan 0.000 0.426 479 S N 1.422 117.144 115.700 0.036 0.000 2.508 479 S HA 0.313 4.784 4.470 0.001 0.000 0.284 479 S C -0.415 174.214 174.600 0.048 0.000 1.192 479 S CA -0.469 57.760 58.200 0.048 0.000 1.070 479 S CB 0.781 64.001 63.200 0.035 0.000 1.004 479 S HN 0.721 nan 8.310 nan 0.000 0.493 480 D N 1.824 122.262 120.400 0.063 0.000 3.082 480 D HA -0.177 4.464 4.640 0.001 0.000 0.234 480 D C -0.076 176.254 176.300 0.050 0.000 1.159 480 D CA 0.402 54.440 54.000 0.063 0.000 0.875 480 D CB -1.284 39.558 40.800 0.070 0.000 0.946 480 D HN 0.586 nan 8.370 nan 0.000 0.411 481 I N -1.533 119.065 120.570 0.047 0.000 2.696 481 I HA 0.296 4.467 4.170 0.001 0.000 0.284 481 I C 0.999 177.135 176.117 0.031 0.000 1.129 481 I CA -0.831 60.491 61.300 0.036 0.000 1.410 481 I CB 0.502 38.521 38.000 0.031 0.000 1.399 481 I HN 0.083 nan 8.210 nan 0.000 0.579 482 L N 3.713 124.954 121.223 0.030 0.000 2.490 482 L HA 0.380 4.721 4.340 0.001 0.000 0.245 482 L C 1.855 178.741 176.870 0.027 0.000 1.185 482 L CA 0.004 54.865 54.840 0.034 0.000 0.813 482 L CB 0.467 42.551 42.059 0.040 0.000 1.233 482 L HN 0.894 nan 8.230 nan 0.000 0.489 483 G N -1.135 107.693 108.800 0.046 0.000 2.408 483 G HA2 -0.189 3.772 3.960 0.001 0.000 0.217 483 G HA3 -0.189 3.772 3.960 0.001 0.000 0.217 483 G C 0.994 175.957 174.900 0.106 0.000 1.150 483 G CA 0.456 45.589 45.100 0.056 0.000 0.776 483 G HN 0.706 nan 8.290 nan 0.000 0.542 484 D N 0.596 121.073 120.400 0.129 0.000 2.183 484 D HA -0.036 4.605 4.640 0.001 0.000 0.203 484 D C 2.270 178.645 176.300 0.126 0.000 0.969 484 D CA 0.605 54.707 54.000 0.170 0.000 0.842 484 D CB -0.067 40.801 40.800 0.113 0.000 0.957 484 D HN 0.438 nan 8.370 nan 0.000 0.484 485 E N 0.369 120.610 120.200 0.068 0.000 2.418 485 E HA -0.117 4.233 4.350 0.001 0.000 0.197 485 E C 1.197 177.809 176.600 0.021 0.000 1.026 485 E CA 0.357 56.785 56.400 0.048 0.000 0.862 485 E CB 0.227 29.949 29.700 0.036 0.000 0.799 485 E HN 0.251 nan 8.360 nan 0.000 0.518 486 D N 0.234 120.612 120.400 -0.037 0.000 2.106 486 D HA -0.136 4.505 4.640 0.001 0.000 0.203 486 D C 1.792 178.036 176.300 -0.094 0.000 0.977 486 D CA 0.888 54.818 54.000 -0.116 0.000 0.844 486 D CB 0.123 40.758 40.800 -0.274 0.000 1.002 486 D HN 0.131 nan 8.370 nan 0.000 0.461 487 H N -0.215 118.884 119.070 0.050 0.000 2.460 487 H HA -0.088 4.469 4.556 0.002 0.000 0.297 487 H C 1.918 177.276 175.328 0.051 0.000 1.103 487 H CA 0.962 57.041 56.048 0.052 0.000 1.292 487 H CB -0.003 29.796 29.762 0.060 0.000 1.376 487 H HN 0.309 nan 8.280 nan 0.000 0.531 488 L N -0.616 120.693 121.223 0.143 0.000 2.515 488 L HA 0.216 4.557 4.340 0.001 0.000 0.223 488 L C 1.723 178.634 176.870 0.069 0.000 1.079 488 L CA 0.071 54.974 54.840 0.106 0.000 0.857 488 L CB 0.179 42.299 42.059 0.102 0.000 1.050 488 L HN 0.070 nan 8.230 nan 0.000 0.476 489 G N -0.538 108.294 108.800 0.054 0.000 2.653 489 G HA2 0.042 4.003 3.960 0.001 0.000 0.265 489 G HA3 0.042 4.003 3.960 0.001 0.000 0.265 489 G C -0.036 174.886 174.900 0.037 0.000 1.237 489 G CA -0.212 44.912 45.100 0.040 0.000 0.946 489 G HN 0.051 nan 8.290 nan 0.000 0.522 490 D N -1.004 119.413 120.400 0.028 0.000 2.417 490 D HA 0.107 4.748 4.640 0.001 0.000 0.207 490 D C 0.571 176.880 176.300 0.015 0.000 1.075 490 D CA 0.437 54.449 54.000 0.020 0.000 0.851 490 D CB 0.605 41.411 40.800 0.011 0.000 0.976 490 D HN 0.289 nan 8.370 nan 0.000 0.505 491 M N 1.206 120.818 119.600 0.021 0.000 2.234 491 M HA 0.195 4.676 4.480 0.001 0.000 0.267 491 M C -2.177 174.163 176.300 0.066 0.000 1.022 491 M CA -0.581 54.738 55.300 0.031 0.000 0.993 491 M CB 2.723 35.320 32.600 -0.005 0.000 1.836 491 M HN -0.392 nan 8.290 nan 0.000 0.479 492 D N 3.910 124.357 120.400 0.079 0.000 2.249 492 D HA 0.379 5.020 4.640 0.001 0.000 0.246 492 D C -1.917 174.493 176.300 0.184 0.000 1.114 492 D CA 0.384 54.441 54.000 0.094 0.000 0.854 492 D CB 0.920 41.745 40.800 0.042 0.000 1.132 492 D HN 0.544 nan 8.370 nan 0.000 0.461 493 F N 3.417 123.358 119.950 -0.014 0.000 2.828 493 F HA 0.326 4.854 4.527 0.001 0.000 0.355 493 F C -0.815 174.978 175.800 -0.012 0.000 1.200 493 F CA -0.749 57.243 58.000 -0.014 0.000 1.062 493 F CB 0.877 39.872 39.000 -0.009 0.000 1.351 493 F HN 0.069 nan 8.300 nan 0.000 0.504 494 K N 5.545 125.749 120.400 -0.327 0.000 2.307 494 K HA 0.700 5.021 4.320 0.001 0.000 0.263 494 K C -1.325 175.049 176.600 -0.376 0.000 0.973 494 K CA -0.842 55.291 56.287 -0.258 0.000 0.846 494 K CB 2.446 34.857 32.500 -0.148 0.000 1.100 494 K HN 0.297 nan 8.250 nan 0.000 0.438 495 V N 1.799 121.545 119.914 -0.281 0.000 2.540 495 V HA 0.696 4.817 4.120 0.001 0.000 0.302 495 V C -0.534 175.482 176.094 -0.129 0.000 1.035 495 V CA -0.962 61.197 62.300 -0.236 0.000 0.873 495 V CB 1.521 33.227 31.823 -0.194 0.000 0.992 495 V HN 0.877 nan 8.190 nan 0.000 0.428 496 A N 3.038 125.786 122.820 -0.120 0.000 2.386 496 A HA 1.064 5.385 4.320 0.001 0.000 0.311 496 A C 0.030 177.568 177.584 -0.078 0.000 1.068 496 A CA 0.026 52.009 52.037 -0.091 0.000 0.743 496 A CB 1.977 20.918 19.000 -0.098 0.000 1.258 496 A HN 1.640 nan 8.150 nan 0.000 0.429 497 G N -0.240 108.523 108.800 -0.063 0.000 2.320 497 G HA2 0.605 4.566 3.960 0.001 0.000 0.296 497 G HA3 0.605 4.566 3.960 0.001 0.000 0.296 497 G C -0.209 174.664 174.900 -0.045 0.000 1.306 497 G CA 0.279 45.347 45.100 -0.054 0.000 0.836 497 G HN 1.703 nan 8.290 nan 0.000 0.517 498 S N -0.857 114.820 115.700 -0.040 0.000 2.566 498 S HA 0.463 4.934 4.470 0.001 0.000 0.277 498 S C 1.199 175.786 174.600 -0.022 0.000 1.150 498 S CA -0.376 57.804 58.200 -0.033 0.000 1.032 498 S CB 1.232 64.410 63.200 -0.035 0.000 1.157 498 S HN 0.647 nan 8.310 nan 0.000 0.507 499 R N 0.210 120.700 120.500 -0.017 0.000 2.276 499 R HA 0.102 4.443 4.340 0.001 0.000 0.203 499 R C 0.360 176.655 176.300 -0.008 0.000 1.017 499 R CA 0.933 57.028 56.100 -0.008 0.000 1.010 499 R CB -0.190 30.107 30.300 -0.006 0.000 0.900 499 R HN 0.615 nan 8.270 nan 0.000 0.469 500 D N -1.080 119.310 120.400 -0.015 0.000 2.454 500 D HA 0.159 4.800 4.640 0.001 0.000 0.214 500 D C 0.764 177.052 176.300 -0.021 0.000 1.088 500 D CA 0.572 54.563 54.000 -0.016 0.000 0.855 500 D CB 1.320 42.110 40.800 -0.017 0.000 1.025 500 D HN 0.257 nan 8.370 nan 0.000 0.502 501 G N 0.034 108.819 108.800 -0.026 0.000 2.554 501 G HA2 0.507 4.468 3.960 0.001 0.000 0.306 501 G HA3 0.507 4.468 3.960 0.001 0.000 0.306 501 G C -1.719 173.157 174.900 -0.039 0.000 1.320 501 G CA -0.768 44.311 45.100 -0.034 0.000 0.800 501 G HN -0.019 nan 8.290 nan 0.000 0.481 502 I N 1.620 122.160 120.570 -0.050 0.000 2.362 502 I HA 0.268 4.438 4.170 0.001 0.000 0.289 502 I C 1.354 177.432 176.117 -0.065 0.000 0.994 502 I CA -0.552 60.714 61.300 -0.057 0.000 1.158 502 I CB 2.188 40.152 38.000 -0.060 0.000 1.315 502 I HN 0.616 nan 8.210 nan 0.000 0.451 503 S N 4.389 120.049 115.700 -0.067 0.000 2.404 503 S HA 0.350 4.821 4.470 0.001 0.000 0.223 503 S C 0.719 175.275 174.600 -0.074 0.000 1.040 503 S CA 0.125 58.285 58.200 -0.067 0.000 0.957 503 S CB 0.345 63.504 63.200 -0.067 0.000 0.826 503 S HN 0.674 nan 8.310 nan 0.000 0.491 504 A N 0.644 123.410 122.820 -0.090 0.000 2.486 504 A HA 0.788 5.109 4.320 0.001 0.000 0.300 504 A C -1.584 175.919 177.584 -0.135 0.000 1.048 504 A CA -0.653 51.322 52.037 -0.103 0.000 0.696 504 A CB 1.707 20.641 19.000 -0.110 0.000 1.278 504 A HN 0.588 nan 8.150 nan 0.000 0.405 505 L N 1.048 122.184 121.223 -0.145 0.000 2.476 505 L HA 0.627 4.968 4.340 0.001 0.000 0.269 505 L C -0.728 176.025 176.870 -0.196 0.000 0.965 505 L CA 0.091 54.803 54.840 -0.213 0.000 0.845 505 L CB 1.984 43.933 42.059 -0.184 0.000 1.259 505 L HN 0.837 nan 8.230 nan 0.000 0.403 506 Q N 5.015 124.662 119.800 -0.256 0.000 2.340 506 Q HA 0.760 5.101 4.340 0.001 0.000 0.268 506 Q C -1.705 174.200 176.000 -0.159 0.000 1.031 506 Q CA -0.638 55.064 55.803 -0.168 0.000 0.804 506 Q CB 1.878 30.540 28.738 -0.128 0.000 1.286 506 Q HN 0.787 nan 8.270 nan 0.000 0.448 507 M N 2.592 122.168 119.600 -0.038 0.000 2.464 507 M HA 0.460 4.941 4.480 0.001 0.000 0.308 507 M C -1.496 174.835 176.300 0.052 0.000 1.127 507 M CA -0.747 54.599 55.300 0.077 0.000 0.913 507 M CB 2.251 34.938 32.600 0.144 0.000 1.689 507 M HN 0.473 nan 8.290 nan 0.000 0.445 508 D N 4.080 124.524 120.400 0.073 0.000 2.330 508 D HA 0.464 5.105 4.640 0.001 0.000 0.249 508 D C -1.159 175.165 176.300 0.041 0.000 1.306 508 D CA -0.054 53.973 54.000 0.044 0.000 0.956 508 D CB 1.509 42.329 40.800 0.034 0.000 1.261 508 D HN 0.455 nan 8.370 nan 0.000 0.544 509 I N 0.930 121.513 120.570 0.021 0.000 2.460 509 I HA 0.315 4.486 4.170 0.001 0.000 0.298 509 I C 1.298 177.410 176.117 -0.008 0.000 0.989 509 I CA -0.540 60.759 61.300 -0.001 0.000 1.173 509 I CB 1.908 39.891 38.000 -0.029 0.000 1.338 509 I HN -0.059 nan 8.210 nan 0.000 0.456 510 K N 5.299 125.694 120.400 -0.009 0.000 2.402 510 K HA 0.368 4.688 4.320 0.001 0.000 0.204 510 K C -0.171 176.414 176.600 -0.025 0.000 1.056 510 K CA 0.067 56.349 56.287 -0.009 0.000 1.069 510 K CB 0.567 33.074 32.500 0.013 0.000 0.888 510 K HN 0.578 nan 8.250 nan 0.000 0.546 511 I N -2.030 118.519 120.570 -0.035 0.000 2.740 511 I HA 0.425 4.596 4.170 0.001 0.000 0.303 511 I C -0.575 175.507 176.117 -0.059 0.000 1.044 511 I CA -1.101 60.175 61.300 -0.042 0.000 1.064 511 I CB 1.903 39.884 38.000 -0.033 0.000 1.249 511 I HN -0.173 nan 8.210 nan 0.000 0.433 512 E N 1.933 122.099 120.200 -0.058 0.000 2.314 512 E HA 0.525 4.876 4.350 0.001 0.000 0.262 512 E C 0.686 177.246 176.600 -0.067 0.000 1.093 512 E CA 0.056 56.418 56.400 -0.064 0.000 0.908 512 E CB 1.136 30.802 29.700 -0.056 0.000 1.091 512 E HN 1.073 nan 8.360 nan 0.000 0.425 513 G N 1.187 109.942 108.800 -0.073 0.000 2.175 513 G HA2 -0.279 3.682 3.960 0.001 0.000 0.244 513 G HA3 -0.279 3.682 3.960 0.001 0.000 0.244 513 G C 0.130 174.959 174.900 -0.118 0.000 0.982 513 G CA 0.031 45.082 45.100 -0.082 0.000 0.641 513 G HN 0.459 nan 8.290 nan 0.000 0.527 514 I N 2.615 123.109 120.570 -0.127 0.000 2.483 514 I HA 0.582 4.753 4.170 0.001 0.000 0.291 514 I C 0.700 176.722 176.117 -0.158 0.000 1.112 514 I CA 0.822 62.025 61.300 -0.162 0.000 1.350 514 I CB 0.662 38.572 38.000 -0.150 0.000 1.419 514 I HN 0.163 nan 8.210 nan 0.000 0.523 515 T N 4.516 118.967 114.554 -0.172 0.000 2.905 515 T HA 0.289 4.640 4.350 0.001 0.000 0.283 515 T C 1.026 175.648 174.700 -0.129 0.000 1.031 515 T CA -0.596 61.423 62.100 -0.134 0.000 1.002 515 T CB 1.591 70.392 68.868 -0.111 0.000 1.200 515 T HN 0.654 nan 8.240 nan 0.000 0.560 516 K N 0.803 121.151 120.400 -0.087 0.000 2.044 516 K HA -0.124 4.197 4.320 0.001 0.000 0.210 516 K C 2.008 178.565 176.600 -0.071 0.000 1.049 516 K CA 2.510 58.759 56.287 -0.063 0.000 0.927 516 K CB -0.215 32.266 32.500 -0.032 0.000 0.713 516 K HN 0.656 nan 8.250 nan 0.000 0.443 517 E N -0.445 119.707 120.200 -0.080 0.000 2.047 517 E HA -0.164 4.187 4.350 0.001 0.000 0.191 517 E C 1.903 178.435 176.600 -0.114 0.000 0.987 517 E CA 1.338 57.695 56.400 -0.071 0.000 0.799 517 E CB -0.076 29.592 29.700 -0.053 0.000 0.752 517 E HN 0.285 nan 8.360 nan 0.000 0.449 518 I N 0.778 121.211 120.570 -0.228 0.000 2.226 518 I HA -0.279 3.892 4.170 0.001 0.000 0.245 518 I C 2.421 178.380 176.117 -0.263 0.000 1.100 518 I CA 1.327 62.396 61.300 -0.385 0.000 1.374 518 I CB -0.168 37.440 38.000 -0.653 0.000 1.057 518 I HN 0.237 nan 8.210 nan 0.000 0.413 519 M N -0.982 118.482 119.600 -0.227 0.000 2.319 519 M HA -0.211 4.270 4.480 0.001 0.000 0.265 519 M C 2.290 178.511 176.300 -0.132 0.000 1.068 519 M CA 1.333 56.497 55.300 -0.228 0.000 1.118 519 M CB -0.324 32.180 32.600 -0.161 0.000 1.395 519 M HN 0.305 nan 8.290 nan 0.000 0.435 520 Q N 0.158 119.914 119.800 -0.074 0.000 2.123 520 Q HA -0.115 4.226 4.340 0.001 0.000 0.199 520 Q C 1.858 177.856 176.000 -0.004 0.000 0.966 520 Q CA 1.173 56.965 55.803 -0.018 0.000 0.845 520 Q CB 0.265 28.998 28.738 -0.008 0.000 0.907 520 Q HN 0.347 nan 8.270 nan 0.000 0.439 521 V N 0.665 120.574 119.914 -0.008 0.000 2.453 521 V HA -0.182 3.938 4.120 0.001 0.000 0.247 521 V C 2.262 178.364 176.094 0.014 0.000 1.048 521 V CA 1.529 63.849 62.300 0.033 0.000 1.049 521 V CB -0.798 31.092 31.823 0.110 0.000 0.672 521 V HN 0.447 nan 8.190 nan 0.000 0.457 522 A N -0.123 122.657 122.820 -0.066 0.000 1.933 522 A HA -0.109 4.212 4.320 0.001 0.000 0.218 522 A C 2.137 179.711 177.584 -0.017 0.000 1.175 522 A CA 1.402 53.347 52.037 -0.154 0.000 0.628 522 A CB -0.392 18.304 19.000 -0.506 0.000 0.814 522 A HN 0.387 nan 8.150 nan 0.000 0.444 523 L N -0.025 121.232 121.223 0.057 0.000 2.156 523 L HA -0.094 4.246 4.340 0.001 0.000 0.208 523 L C 2.210 179.155 176.870 0.126 0.000 1.095 523 L CA 1.935 56.903 54.840 0.212 0.000 0.770 523 L CB -1.662 40.514 42.059 0.194 0.000 0.914 523 L HN 0.518 nan 8.230 nan 0.000 0.439 524 N N 0.191 118.935 118.700 0.074 0.000 2.188 524 N HA -0.234 4.507 4.740 0.001 0.000 0.184 524 N C 1.877 177.421 175.510 0.056 0.000 1.018 524 N CA 1.265 54.348 53.050 0.056 0.000 0.858 524 N CB 0.038 38.549 38.487 0.040 0.000 0.989 524 N HN 0.343 nan 8.380 nan 0.000 0.426 525 Q N -0.865 118.969 119.800 0.058 0.000 2.230 525 Q HA 0.062 4.403 4.340 0.001 0.000 0.202 525 Q C 1.707 177.752 176.000 0.075 0.000 0.963 525 Q CA 1.107 56.942 55.803 0.053 0.000 0.866 525 Q CB -0.103 28.660 28.738 0.042 0.000 0.931 525 Q HN 0.465 nan 8.270 nan 0.000 0.452 526 A N 0.969 123.857 122.820 0.113 0.000 1.929 526 A HA -0.156 4.165 4.320 0.001 0.000 0.216 526 A C 1.974 179.612 177.584 0.090 0.000 1.176 526 A CA 1.342 53.458 52.037 0.132 0.000 0.628 526 A CB -0.368 18.767 19.000 0.225 0.000 0.816 526 A HN 0.299 nan 8.150 nan 0.000 0.444 527 K N -0.533 119.914 120.400 0.078 0.000 2.057 527 K HA -0.100 4.220 4.320 0.001 0.000 0.206 527 K C 2.035 178.669 176.600 0.055 0.000 1.050 527 K CA 1.320 57.641 56.287 0.056 0.000 0.935 527 K CB -0.479 32.049 32.500 0.047 0.000 0.715 527 K HN 0.388 nan 8.250 nan 0.000 0.439 528 G N 0.323 109.157 108.800 0.057 0.000 2.422 528 G HA2 -0.234 3.727 3.960 0.001 0.000 0.218 528 G HA3 -0.234 3.727 3.960 0.001 0.000 0.218 528 G C 1.535 176.485 174.900 0.082 0.000 1.146 528 G CA 0.859 45.994 45.100 0.059 0.000 0.769 528 G HN 0.426 nan 8.290 nan 0.000 0.547 529 A N 0.431 123.299 122.820 0.080 0.000 1.972 529 A HA 0.028 4.349 4.320 0.001 0.000 0.219 529 A C 2.302 179.963 177.584 0.128 0.000 1.169 529 A CA 1.735 53.834 52.037 0.103 0.000 0.635 529 A CB -0.370 18.682 19.000 0.087 0.000 0.810 529 A HN 0.363 nan 8.150 nan 0.000 0.446 530 R N -0.522 120.032 120.500 0.089 0.000 2.073 530 R HA 0.055 4.396 4.340 0.001 0.000 0.229 530 R C 1.843 178.182 176.300 0.065 0.000 1.120 530 R CA 1.096 57.234 56.100 0.064 0.000 0.967 530 R CB -0.304 30.016 30.300 0.032 0.000 0.862 530 R HN 0.505 nan 8.270 nan 0.000 0.436 531 L N -0.497 120.770 121.223 0.073 0.000 2.201 531 L HA -0.149 4.192 4.340 0.001 0.000 0.212 531 L C 2.413 179.337 176.870 0.091 0.000 1.105 531 L CA 1.281 56.160 54.840 0.065 0.000 0.775 531 L CB -0.462 41.633 42.059 0.060 0.000 0.913 531 L HN 0.336 nan 8.230 nan 0.000 0.440 532 H N 0.345 119.437 119.070 0.036 0.000 2.357 532 H HA -0.102 4.455 4.556 0.001 0.000 0.301 532 H C 2.144 177.507 175.328 0.059 0.000 1.082 532 H CA 1.709 57.782 56.048 0.042 0.000 1.342 532 H CB 0.060 29.847 29.762 0.042 0.000 1.389 532 H HN 0.189 nan 8.280 nan 0.000 0.511 533 I N -0.113 120.451 120.570 -0.009 0.000 2.252 533 I HA -0.212 3.959 4.170 0.001 0.000 0.245 533 I C 2.141 178.251 176.117 -0.013 0.000 1.102 533 I CA 0.820 62.116 61.300 -0.007 0.000 1.385 533 I CB -0.190 37.894 38.000 0.140 0.000 1.064 533 I HN 0.255 nan 8.210 nan 0.000 0.414 534 L N 0.539 121.757 121.223 -0.008 0.000 2.131 534 L HA -0.148 4.192 4.340 0.001 0.000 0.210 534 L C 2.610 179.467 176.870 -0.021 0.000 1.092 534 L CA 1.468 56.300 54.840 -0.014 0.000 0.759 534 L CB -0.924 41.130 42.059 -0.008 0.000 0.903 534 L HN 0.320 nan 8.230 nan 0.000 0.435 535 G N -0.767 108.010 108.800 -0.039 0.000 2.408 535 G HA2 -0.158 3.803 3.960 0.001 0.000 0.217 535 G HA3 -0.158 3.803 3.960 0.001 0.000 0.217 535 G C 1.544 176.410 174.900 -0.056 0.000 1.150 535 G CA 0.808 45.882 45.100 -0.042 0.000 0.776 535 G HN 0.209 nan 8.290 nan 0.000 0.542 536 V N 0.877 120.733 119.914 -0.097 0.000 2.453 536 V HA -0.111 4.010 4.120 0.001 0.000 0.247 536 V C 2.826 178.920 176.094 -0.001 0.000 1.048 536 V CA 1.726 63.986 62.300 -0.067 0.000 1.049 536 V CB -0.377 31.383 31.823 -0.106 0.000 0.672 536 V HN 0.337 nan 8.190 nan 0.000 0.457 537 M N -0.403 119.210 119.600 0.022 0.000 2.159 537 M HA -0.186 4.294 4.480 0.001 0.000 0.263 537 M C 2.170 178.479 176.300 0.016 0.000 1.063 537 M CA 1.788 57.113 55.300 0.040 0.000 1.110 537 M CB -0.415 32.201 32.600 0.026 0.000 1.374 537 M HN 0.366 nan 8.290 nan 0.000 0.411 538 E N -0.089 120.111 120.200 0.001 0.000 2.204 538 E HA -0.195 4.156 4.350 0.001 0.000 0.194 538 E C 1.984 178.583 176.600 -0.000 0.000 0.989 538 E CA 0.848 57.246 56.400 -0.003 0.000 0.824 538 E CB -0.083 29.613 29.700 -0.007 0.000 0.756 538 E HN 0.604 nan 8.360 nan 0.000 0.477 539 Q N 0.116 119.915 119.800 -0.001 0.000 2.167 539 Q HA -0.109 4.232 4.340 0.001 0.000 0.202 539 Q C 2.034 178.037 176.000 0.005 0.000 0.970 539 Q CA 1.207 57.010 55.803 0.000 0.000 0.855 539 Q CB -0.000 28.736 28.738 -0.004 0.000 0.911 539 Q HN 0.216 nan 8.270 nan 0.000 0.438 540 A N 0.478 123.305 122.820 0.011 0.000 1.844 540 A HA 0.165 4.486 4.320 0.001 0.000 0.212 540 A C 1.027 178.619 177.584 0.012 0.000 1.221 540 A CA 0.483 52.529 52.037 0.016 0.000 0.607 540 A CB 0.247 19.264 19.000 0.028 0.000 0.878 540 A HN 0.319 nan 8.150 nan 0.000 0.451 541 I N -0.889 119.689 120.570 0.012 0.000 2.686 541 I HA 0.366 4.537 4.170 0.001 0.000 0.295 541 I C -0.836 175.281 176.117 -0.001 0.000 1.114 541 I CA -0.701 60.603 61.300 0.006 0.000 1.038 541 I CB 2.160 40.165 38.000 0.008 0.000 1.238 541 I HN 0.424 nan 8.210 nan 0.000 0.420 542 N N 4.874 123.570 118.700 -0.006 0.000 2.082 542 N HA 0.447 5.188 4.740 0.001 0.000 0.228 542 N C -0.891 174.609 175.510 -0.017 0.000 1.341 542 N CA 0.002 53.045 53.050 -0.011 0.000 0.873 542 N CB 1.384 39.865 38.487 -0.009 0.000 1.137 542 N HN 0.509 nan 8.380 nan 0.000 0.505 543 A N 0.252 123.061 122.820 -0.018 0.000 2.547 543 A HA 0.681 5.002 4.320 0.001 0.000 0.297 543 A C -3.116 174.451 177.584 -0.029 0.000 1.056 543 A CA -1.137 50.885 52.037 -0.025 0.000 0.688 543 A CB 1.221 20.210 19.000 -0.020 0.000 1.282 543 A HN 0.028 nan 8.150 nan 0.000 0.400 544 P HA 0.516 nan 4.420 nan 0.000 0.279 544 P C 0.772 178.049 177.300 -0.039 0.000 1.318 544 P CA 0.845 63.914 63.100 -0.053 0.000 0.819 544 P CB 0.482 32.126 31.700 -0.094 0.000 0.927 545 R N 0.000 120.485 120.500 -0.025 0.000 2.786 545 R HA 0.000 4.341 4.340 0.001 0.000 0.208 545 R CA 0.000 56.090 56.100 -0.017 0.000 0.921 545 R CB 0.000 30.290 30.300 -0.016 0.000 0.687 545 R HN 0.000 nan 8.270 nan 0.000 0.535