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 3gcm_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLNPIVRKFQ YGQHTVTLET GMMARQATAA VMVSMDDTAV FVTVVGQKKA DATA SEQUENCE KPGQDFFPLT VNYQERTYAA GRIPGSFFRR EGRPSEGETL IARLIDRPIR DATA SEQUENCE PLFPEGFVNE VQVIATVVSV NPQVNPDIVA MIGASAALSL SGIPFNGPIG DATA SEQUENCE AARVGYINDQ YVLNPTQDEL KESKLDLVVA GTEAAVLMVE SEAELLSEDQ DATA SEQUENCE MLGAVVFGHE QQQVVIQNIN ELVKEAGKPR WDWQPEPVNE ALNARVAALA DATA SEQUENCE EARLSDAYRI TDKQERYAQV DVIKSETIAT LLAEDETLDE NELGEILHAI DATA SEQUENCE EKNVVRSRVL AGEPRIDGRE KDMIRGLDVR TGVLPRTHGS ALFTRGETQA DATA SEQUENCE LVTATLGTAR DAQVLDELMG ERTDTFLFHY NFPPYSVGET GMVGSPKRRE DATA SEQUENCE IGHGRLAKRG VLAVMPDMDK FPYTVRVVSE ITESNGSSSM ASVCGASLAL DATA SEQUENCE MDAGVPIKAA VAGIAMGLVK EGDNYVVLSD ILGDEDHLGD MDFKVAGSRD DATA SEQUENCE GISALQMDIK IEGITKEIMQ VALNQAKGAR LHILGVMEQA INAP 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 0.000 176.305 176.300 0.009 0.000 1.140 1 M CA 0.000 55.304 55.300 0.006 0.000 0.988 1 M CB 0.000 32.603 32.600 0.005 0.000 1.302 2 L N 3.975 125.203 121.223 0.008 0.000 2.331 2 L HA 0.456 4.795 4.340 -0.002 0.000 0.278 2 L C -0.391 176.487 176.870 0.013 0.000 1.106 2 L CA 0.382 55.229 54.840 0.012 0.000 0.824 2 L CB 0.613 42.677 42.059 0.009 0.000 1.142 2 L HN 0.496 nan 8.230 nan 0.000 0.443 3 N N 4.296 123.007 118.700 0.018 0.000 2.504 3 N HA 0.397 5.136 4.740 -0.002 0.000 0.280 3 N C -2.628 172.897 175.510 0.025 0.000 1.052 3 N CA -1.037 52.025 53.050 0.019 0.000 0.887 3 N CB 2.241 40.739 38.487 0.018 0.000 1.323 3 N HN 0.310 nan 8.380 nan 0.000 0.509 4 P HA 0.403 nan 4.420 nan 0.000 0.284 4 P C -0.369 176.950 177.300 0.033 0.000 1.253 4 P CA -0.310 62.810 63.100 0.034 0.000 0.800 4 P CB 1.372 33.092 31.700 0.032 0.000 0.961 5 I N 2.752 123.344 120.570 0.037 0.000 2.307 5 I HA 0.265 4.434 4.170 -0.002 0.000 0.289 5 I C -0.179 175.963 176.117 0.041 0.000 1.021 5 I CA -0.773 60.548 61.300 0.035 0.000 1.224 5 I CB 1.452 39.471 38.000 0.031 0.000 1.376 5 I HN -0.011 nan 8.210 nan 0.000 0.470 6 V N 6.922 126.860 119.914 0.041 0.000 2.487 6 V HA 0.500 4.619 4.120 -0.002 0.000 0.298 6 V C -0.147 175.981 176.094 0.056 0.000 1.028 6 V CA -0.713 61.616 62.300 0.049 0.000 0.860 6 V CB 1.975 33.823 31.823 0.042 0.000 0.991 6 V HN 0.683 nan 8.190 nan 0.000 0.427 7 R N 4.061 124.606 120.500 0.077 0.000 2.480 7 R HA 0.593 4.932 4.340 -0.002 0.000 0.306 7 R C -0.868 175.525 176.300 0.154 0.000 0.958 7 R CA -0.648 55.516 56.100 0.107 0.000 0.861 7 R CB 1.357 31.720 30.300 0.105 0.000 1.171 7 R HN 0.693 nan 8.270 nan 0.000 0.445 8 K N 4.487 124.973 120.400 0.143 0.000 2.207 8 K HA 0.471 4.789 4.320 -0.002 0.000 0.255 8 K C -1.149 175.592 176.600 0.235 0.000 0.941 8 K CA -0.681 55.676 56.287 0.117 0.000 0.825 8 K CB 1.553 34.083 32.500 0.050 0.000 1.119 8 K HN 0.465 nan 8.250 nan 0.000 0.430 9 F N -1.597 118.370 119.950 0.028 0.000 2.654 9 F HA 0.316 4.842 4.527 -0.002 0.000 0.308 9 F C -1.059 174.781 175.800 0.067 0.000 1.108 9 F CA -1.346 56.672 58.000 0.031 0.000 0.957 9 F CB 1.054 40.057 39.000 0.004 0.000 1.309 9 F HN 0.143 nan 8.300 nan 0.000 0.446 10 Q N 2.098 122.012 119.800 0.190 0.000 2.304 10 Q HA 0.189 4.528 4.340 -0.002 0.000 0.260 10 Q C -1.678 174.499 176.000 0.294 0.000 0.965 10 Q CA -0.026 55.859 55.803 0.136 0.000 0.898 10 Q CB 1.472 30.280 28.738 0.117 0.000 1.196 10 Q HN 0.773 nan 8.270 nan 0.000 0.402 11 Y N 1.875 122.194 120.300 0.033 0.000 2.535 11 Y HA 0.405 4.954 4.550 -0.002 0.000 0.341 11 Y C 0.624 176.564 175.900 0.065 0.000 1.041 11 Y CA 0.151 58.310 58.100 0.098 0.000 1.307 11 Y CB 0.307 38.821 38.460 0.090 0.000 1.095 11 Y HN 0.840 nan 8.280 nan 0.000 0.534 12 G N 4.325 113.115 108.800 -0.016 0.000 2.557 12 G HA2 -0.330 3.628 3.960 -0.002 0.000 0.292 12 G HA3 -0.330 3.628 3.960 -0.002 0.000 0.292 12 G C 0.505 175.328 174.900 -0.129 0.000 1.162 12 G CA 0.620 45.642 45.100 -0.129 0.000 0.964 12 G HN 0.577 nan 8.290 nan 0.000 0.541 13 Q N 1.167 120.789 119.800 -0.297 0.000 2.220 13 Q HA 0.258 4.597 4.340 -0.002 0.000 0.205 13 Q C 0.112 175.847 176.000 -0.443 0.000 0.865 13 Q CA 0.044 55.633 55.803 -0.357 0.000 0.960 13 Q CB 0.607 29.094 28.738 -0.418 0.000 1.097 13 Q HN 0.671 nan 8.270 nan 0.000 0.493 14 H N -0.105 118.947 119.070 -0.030 0.000 2.771 14 H HA 0.390 4.945 4.556 -0.002 0.000 0.367 14 H C -0.450 174.853 175.328 -0.040 0.000 1.172 14 H CA -0.594 55.436 56.048 -0.030 0.000 1.186 14 H CB 1.856 31.598 29.762 -0.034 0.000 1.790 14 H HN -0.159 nan 8.280 nan 0.000 0.556 15 T N 2.045 116.646 114.554 0.078 0.000 2.758 15 T HA 0.304 4.653 4.350 -0.002 0.000 0.285 15 T C 0.174 174.790 174.700 -0.140 0.000 0.981 15 T CA -0.632 61.439 62.100 -0.049 0.000 0.965 15 T CB 0.753 69.605 68.868 -0.025 0.000 0.927 15 T HN 0.163 nan 8.240 nan 0.000 0.448 16 V N 4.384 124.062 119.914 -0.394 0.000 2.394 16 V HA 0.422 4.541 4.120 -0.002 0.000 0.282 16 V C 0.407 176.274 176.094 -0.379 0.000 1.031 16 V CA -0.602 61.410 62.300 -0.481 0.000 0.881 16 V CB 1.375 32.679 31.823 -0.864 0.000 0.982 16 V HN 0.952 nan 8.190 nan 0.000 0.451 17 T N 6.811 121.278 114.554 -0.144 0.000 2.797 17 T HA 0.679 5.028 4.350 -0.002 0.000 0.279 17 T C -0.435 174.280 174.700 0.025 0.000 0.991 17 T CA -0.343 61.736 62.100 -0.035 0.000 0.979 17 T CB 1.031 69.893 68.868 -0.009 0.000 0.943 17 T HN 0.361 nan 8.240 nan 0.000 0.444 18 L N 3.008 124.276 121.223 0.075 0.000 2.325 18 L HA 0.558 4.897 4.340 -0.002 0.000 0.281 18 L C 0.175 177.090 176.870 0.074 0.000 1.004 18 L CA -0.597 54.295 54.840 0.087 0.000 0.823 18 L CB 1.572 43.703 42.059 0.120 0.000 1.236 18 L HN 0.594 nan 8.230 nan 0.000 0.415 19 E N 2.349 122.594 120.200 0.075 0.000 2.210 19 E HA 0.564 4.913 4.350 -0.002 0.000 0.266 19 E C -1.414 175.238 176.600 0.086 0.000 0.883 19 E CA -0.280 56.166 56.400 0.077 0.000 0.761 19 E CB 2.385 32.133 29.700 0.080 0.000 1.156 19 E HN 0.505 nan 8.360 nan 0.000 0.412 20 T N 1.552 116.148 114.554 0.070 0.000 2.883 20 T HA 0.627 4.976 4.350 -0.002 0.000 0.301 20 T C 0.332 175.069 174.700 0.062 0.000 1.158 20 T CA 0.582 62.723 62.100 0.068 0.000 1.007 20 T CB 1.401 70.292 68.868 0.039 0.000 1.186 20 T HN 0.712 nan 8.240 nan 0.000 0.499 21 G N 2.008 110.848 108.800 0.066 0.000 2.253 21 G HA2 -0.217 3.742 3.960 -0.002 0.000 0.209 21 G HA3 -0.217 3.742 3.960 -0.002 0.000 0.209 21 G C 0.778 175.712 174.900 0.057 0.000 0.997 21 G CA 0.841 45.973 45.100 0.054 0.000 0.640 21 G HN 1.060 nan 8.290 nan 0.000 0.496 22 M N -1.352 118.289 119.600 0.068 0.000 2.393 22 M HA 0.666 5.144 4.480 -0.002 0.000 0.270 22 M C 0.918 177.255 176.300 0.062 0.000 1.127 22 M CA 0.147 55.480 55.300 0.054 0.000 1.104 22 M CB 0.522 33.143 32.600 0.036 0.000 1.523 22 M HN 0.072 nan 8.290 nan 0.000 0.546 23 M N 2.109 121.774 119.600 0.109 0.000 2.336 23 M HA 0.612 5.091 4.480 -0.002 0.000 0.342 23 M C 0.116 176.568 176.300 0.253 0.000 1.128 23 M CA -0.379 55.000 55.300 0.132 0.000 1.016 23 M CB 1.874 34.517 32.600 0.072 0.000 1.665 23 M HN 0.398 nan 8.290 nan 0.000 0.445 24 A N 2.371 125.316 122.820 0.207 0.000 2.416 24 A HA -0.208 4.111 4.320 -0.002 0.000 0.293 24 A C 0.796 178.460 177.584 0.133 0.000 1.452 24 A CA 0.803 52.964 52.037 0.207 0.000 0.738 24 A CB -1.285 17.928 19.000 0.354 0.000 1.123 24 A HN 1.010 nan 8.150 nan 0.000 0.389 25 R N -0.643 119.912 120.500 0.092 0.000 2.307 25 R HA -0.031 4.308 4.340 -0.002 0.000 0.199 25 R C 1.953 178.288 176.300 0.059 0.000 1.000 25 R CA 1.343 57.484 56.100 0.069 0.000 1.023 25 R CB 0.012 30.345 30.300 0.055 0.000 0.908 25 R HN 0.862 nan 8.270 nan 0.000 0.473 26 Q N 0.021 119.858 119.800 0.060 0.000 2.398 26 Q HA 0.173 4.512 4.340 -0.002 0.000 0.204 26 Q C 0.331 176.365 176.000 0.056 0.000 0.932 26 Q CA 0.044 55.879 55.803 0.053 0.000 0.916 26 Q CB 0.573 29.338 28.738 0.046 0.000 1.024 26 Q HN 0.219 nan 8.270 nan 0.000 0.504 27 A N 0.465 123.319 122.820 0.057 0.000 2.406 27 A HA 0.083 4.402 4.320 -0.002 0.000 0.243 27 A C 1.141 178.757 177.584 0.053 0.000 1.082 27 A CA -0.055 52.010 52.037 0.047 0.000 0.786 27 A CB 0.376 19.390 19.000 0.023 0.000 1.029 27 A HN 0.190 nan 8.150 nan 0.000 0.495 28 T N 0.729 115.321 114.554 0.064 0.000 2.720 28 T HA 0.177 4.526 4.350 -0.002 0.000 0.268 28 T C 0.807 175.536 174.700 0.047 0.000 1.037 28 T CA 1.882 64.038 62.100 0.093 0.000 1.144 28 T CB -0.284 68.659 68.868 0.126 0.000 0.864 28 T HN 1.457 nan 8.240 nan 0.000 0.444 29 A N -0.371 122.448 122.820 -0.002 0.000 2.604 29 A HA 0.796 5.115 4.320 -0.002 0.000 0.295 29 A C -1.586 175.950 177.584 -0.080 0.000 1.067 29 A CA -0.406 51.612 52.037 -0.031 0.000 0.683 29 A CB 1.344 20.313 19.000 -0.052 0.000 1.281 29 A HN 0.534 nan 8.150 nan 0.000 0.407 30 A N 0.623 123.390 122.820 -0.088 0.000 2.459 30 A HA 0.742 5.060 4.320 -0.002 0.000 0.296 30 A C -1.334 176.154 177.584 -0.161 0.000 1.039 30 A CA -0.453 51.460 52.037 -0.206 0.000 0.698 30 A CB 1.460 20.368 19.000 -0.152 0.000 1.261 30 A HN 1.713 nan 8.150 nan 0.000 0.405 31 V N 2.152 121.904 119.914 -0.270 0.000 2.709 31 V HA 0.587 4.706 4.120 -0.002 0.000 0.308 31 V C -0.515 175.554 176.094 -0.043 0.000 1.062 31 V CA -0.441 61.802 62.300 -0.094 0.000 0.901 31 V CB 1.866 33.652 31.823 -0.062 0.000 1.003 31 V HN 0.986 nan 8.190 nan 0.000 0.425 32 M N 5.955 125.653 119.600 0.164 0.000 2.055 32 M HA 0.574 5.052 4.480 -0.002 0.000 0.347 32 M C -1.087 175.289 176.300 0.126 0.000 1.123 32 M CA -0.059 55.392 55.300 0.251 0.000 1.035 32 M CB 0.899 33.680 32.600 0.302 0.000 1.484 32 M HN 0.430 nan 8.290 nan 0.000 0.428 33 V N 4.102 124.074 119.914 0.097 0.000 2.435 33 V HA 0.701 4.819 4.120 -0.002 0.000 0.290 33 V C -0.226 175.899 176.094 0.052 0.000 1.030 33 V CA -0.544 61.794 62.300 0.062 0.000 0.881 33 V CB 1.561 33.414 31.823 0.050 0.000 0.983 33 V HN 0.893 nan 8.190 nan 0.000 0.445 34 S N 5.162 120.876 115.700 0.023 0.000 2.538 34 S HA 0.672 5.141 4.470 -0.002 0.000 0.288 34 S C -0.587 173.994 174.600 -0.031 0.000 1.108 34 S CA -0.563 57.640 58.200 0.006 0.000 0.971 34 S CB 1.692 64.899 63.200 0.011 0.000 1.041 34 S HN 0.780 nan 8.310 nan 0.000 0.483 35 M N 3.117 122.692 119.600 -0.042 0.000 2.007 35 M HA 0.254 4.733 4.480 -0.002 0.000 0.285 35 M C -1.446 174.791 176.300 -0.105 0.000 0.893 35 M CA -0.153 55.098 55.300 -0.081 0.000 0.925 35 M CB 0.231 32.772 32.600 -0.099 0.000 1.568 35 M HN 0.625 nan 8.290 nan 0.000 0.414 36 D N 3.614 123.985 120.400 -0.049 0.000 3.038 36 D HA -0.189 4.449 4.640 -0.002 0.000 0.229 36 D C -0.017 176.270 176.300 -0.022 0.000 1.182 36 D CA 1.873 55.865 54.000 -0.014 0.000 0.852 36 D CB -0.615 40.203 40.800 0.031 0.000 0.932 36 D HN 0.925 nan 8.370 nan 0.000 0.406 37 D N -2.183 118.211 120.400 -0.009 0.000 2.748 37 D HA -0.154 4.484 4.640 -0.002 0.000 0.189 37 D C -0.242 176.059 176.300 0.001 0.000 0.982 37 D CA 1.763 55.764 54.000 0.002 0.000 1.017 37 D CB -0.890 39.913 40.800 0.006 0.000 1.076 37 D HN 0.435 nan 8.370 nan 0.000 0.446 38 T N 0.517 115.063 114.554 -0.013 0.000 2.770 38 T HA 0.746 5.095 4.350 -0.002 0.000 0.297 38 T C -0.139 174.569 174.700 0.013 0.000 0.997 38 T CA 0.213 62.310 62.100 -0.004 0.000 0.949 38 T CB 1.493 70.346 68.868 -0.025 0.000 0.941 38 T HN 0.295 nan 8.240 nan 0.000 0.457 39 A N 3.370 126.210 122.820 0.033 0.000 2.371 39 A HA 0.823 5.141 4.320 -0.002 0.000 0.311 39 A C -0.829 176.799 177.584 0.074 0.000 1.068 39 A CA -0.660 51.410 52.037 0.055 0.000 0.744 39 A CB 1.274 20.311 19.000 0.060 0.000 1.239 39 A HN 0.640 nan 8.150 nan 0.000 0.435 40 V N 2.127 122.099 119.914 0.095 0.000 2.577 40 V HA 0.415 4.534 4.120 -0.002 0.000 0.303 40 V C -1.112 175.081 176.094 0.165 0.000 1.042 40 V CA -0.381 61.985 62.300 0.111 0.000 0.872 40 V CB 1.545 33.431 31.823 0.104 0.000 0.998 40 V HN 0.818 nan 8.190 nan 0.000 0.423 41 F N 5.707 125.664 119.950 0.013 0.000 2.371 41 F HA 0.675 5.201 4.527 -0.001 0.000 0.363 41 F C -0.211 175.596 175.800 0.011 0.000 1.122 41 F CA -0.473 57.536 58.000 0.015 0.000 1.129 41 F CB 1.113 40.123 39.000 0.018 0.000 1.173 41 F HN 0.272 nan 8.300 nan 0.000 0.489 42 V N 5.085 124.728 119.914 -0.451 0.000 2.448 42 V HA 0.526 4.644 4.120 -0.002 0.000 0.295 42 V C -0.164 175.630 176.094 -0.500 0.000 1.025 42 V CA -0.596 61.496 62.300 -0.346 0.000 0.859 42 V CB 1.739 33.466 31.823 -0.160 0.000 0.988 42 V HN 0.832 nan 8.190 nan 0.000 0.431 43 T N 1.620 115.965 114.554 -0.349 0.000 2.887 43 T HA 0.850 5.198 4.350 -0.002 0.000 0.288 43 T C -0.847 173.766 174.700 -0.144 0.000 1.021 43 T CA -0.769 61.172 62.100 -0.265 0.000 1.000 43 T CB 1.944 70.694 68.868 -0.196 0.000 1.034 43 T HN 0.329 nan 8.240 nan 0.000 0.467 44 V N 1.870 121.717 119.914 -0.111 0.000 2.656 44 V HA 0.668 4.787 4.120 -0.002 0.000 0.307 44 V C -0.654 175.423 176.094 -0.029 0.000 1.051 44 V CA -0.845 61.411 62.300 -0.075 0.000 0.893 44 V CB 1.971 33.733 31.823 -0.101 0.000 0.999 44 V HN 0.910 nan 8.190 nan 0.000 0.426 45 V N 2.987 122.898 119.914 -0.005 0.000 2.443 45 V HA 0.771 4.889 4.120 -0.002 0.000 0.293 45 V C 0.479 176.613 176.094 0.067 0.000 1.021 45 V CA -0.290 62.035 62.300 0.041 0.000 0.848 45 V CB 1.871 33.715 31.823 0.036 0.000 0.998 45 V HN 1.009 nan 8.190 nan 0.000 0.424 46 G N 3.266 112.155 108.800 0.149 0.000 2.422 46 G HA2 0.539 4.498 3.960 -0.002 0.000 0.317 46 G HA3 0.539 4.498 3.960 -0.002 0.000 0.317 46 G C -0.645 174.511 174.900 0.428 0.000 1.210 46 G CA -0.447 44.796 45.100 0.238 0.000 0.930 46 G HN 0.625 nan 8.290 nan 0.000 0.468 47 Q N 1.276 121.248 119.800 0.285 0.000 2.311 47 Q HA 0.100 4.438 4.340 -0.002 0.000 0.272 47 Q C 1.043 177.195 176.000 0.253 0.000 1.012 47 Q CA -0.369 55.556 55.803 0.204 0.000 0.891 47 Q CB 1.328 30.112 28.738 0.076 0.000 1.201 47 Q HN 0.417 nan 8.270 nan 0.000 0.391 48 K N 2.055 122.484 120.400 0.049 0.000 2.097 48 K HA -0.067 4.252 4.320 -0.002 0.000 0.206 48 K C -0.081 176.476 176.600 -0.072 0.000 1.049 48 K CA 1.385 57.556 56.287 -0.194 0.000 0.933 48 K CB 0.125 32.484 32.500 -0.234 0.000 0.717 48 K HN 0.429 nan 8.250 nan 0.000 0.442 49 K N 0.594 120.986 120.400 -0.014 0.000 2.206 49 K HA 0.409 4.727 4.320 -0.002 0.000 0.264 49 K C -0.732 175.869 176.600 0.002 0.000 0.967 49 K CA -0.445 55.842 56.287 0.000 0.000 0.844 49 K CB 2.049 34.541 32.500 -0.013 0.000 1.099 49 K HN -0.036 nan 8.250 nan 0.000 0.441 50 A N 1.964 124.787 122.820 0.005 0.000 2.371 50 A HA 0.155 4.474 4.320 -0.002 0.000 0.257 50 A C -0.080 177.483 177.584 -0.035 0.000 1.089 50 A CA -0.493 51.522 52.037 -0.036 0.000 0.794 50 A CB 0.295 19.282 19.000 -0.023 0.000 1.029 50 A HN 0.478 nan 8.150 nan 0.000 0.488 51 K N 3.085 123.448 120.400 -0.061 0.000 2.448 51 K HA 0.162 4.481 4.320 -0.002 0.000 0.278 51 K C -1.604 174.978 176.600 -0.031 0.000 1.009 51 K CA -0.506 55.752 56.287 -0.049 0.000 0.995 51 K CB 0.216 32.674 32.500 -0.070 0.000 0.917 51 K HN 0.717 nan 8.250 nan 0.000 0.481 52 P HA -0.239 nan 4.420 nan 0.000 0.218 52 P C 0.872 178.172 177.300 -0.000 0.000 1.132 52 P CA 1.921 65.018 63.100 -0.005 0.000 0.968 52 P CB -0.001 31.698 31.700 -0.002 0.000 0.783 53 G N -1.308 107.493 108.800 0.002 0.000 4.291 53 G HA2 0.199 4.158 3.960 -0.002 0.000 0.304 53 G HA3 0.199 4.158 3.960 -0.002 0.000 0.304 53 G C -0.183 174.727 174.900 0.016 0.000 1.264 53 G CA -0.051 45.058 45.100 0.014 0.000 1.039 53 G HN 0.176 nan 8.290 nan 0.000 0.578 54 Q N 1.364 121.157 119.800 -0.012 0.000 2.286 54 Q HA 0.335 4.674 4.340 -0.002 0.000 0.257 54 Q C 0.431 176.429 176.000 -0.004 0.000 0.941 54 Q CA -0.066 55.708 55.803 -0.048 0.000 0.912 54 Q CB 1.265 29.923 28.738 -0.133 0.000 1.192 54 Q HN 0.380 nan 8.270 nan 0.000 0.410 55 D N 2.676 123.108 120.400 0.053 0.000 2.525 55 D HA 0.096 4.735 4.640 -0.002 0.000 0.231 55 D C -0.443 175.968 176.300 0.186 0.000 1.216 55 D CA -0.198 53.864 54.000 0.103 0.000 0.813 55 D CB -0.239 40.624 40.800 0.105 0.000 1.108 55 D HN 0.338 nan 8.370 nan 0.000 0.524 56 F N -0.529 119.431 119.950 0.018 0.000 2.576 56 F HA 0.664 5.189 4.527 -0.002 0.000 0.313 56 F C -1.207 174.633 175.800 0.066 0.000 1.078 56 F CA -2.057 55.963 58.000 0.034 0.000 0.921 56 F CB 1.302 40.300 39.000 -0.004 0.000 1.232 56 F HN -0.244 nan 8.300 nan 0.000 0.459 57 F N 5.594 125.499 119.950 -0.075 0.000 2.466 57 F HA 0.531 5.056 4.527 -0.002 0.000 0.363 57 F C -2.503 173.165 175.800 -0.219 0.000 1.109 57 F CA -3.605 54.269 58.000 -0.211 0.000 1.161 57 F CB 0.489 39.432 39.000 -0.095 0.000 1.117 57 F HN 0.262 nan 8.300 nan 0.000 0.539 58 P HA 0.238 nan 4.420 nan 0.000 0.274 58 P C -1.196 175.594 177.300 -0.849 0.000 1.504 58 P CA -0.261 62.455 63.100 -0.639 0.000 1.011 58 P CB 1.008 32.397 31.700 -0.519 0.000 1.366 59 L N 3.717 124.399 121.223 -0.902 0.000 2.313 59 L HA 0.613 4.951 4.340 -0.002 0.000 0.283 59 L C -0.603 176.065 176.870 -0.337 0.000 1.013 59 L CA 0.155 54.541 54.840 -0.756 0.000 0.816 59 L CB 1.689 43.205 42.059 -0.905 0.000 1.236 59 L HN 0.146 nan 8.230 nan 0.000 0.419 60 T N 4.373 118.789 114.554 -0.229 0.000 2.841 60 T HA 0.596 4.945 4.350 -0.002 0.000 0.285 60 T C -0.851 173.803 174.700 -0.077 0.000 0.991 60 T CA -0.465 61.561 62.100 -0.123 0.000 0.966 60 T CB 1.612 70.423 68.868 -0.096 0.000 0.962 60 T HN 0.310 nan 8.240 nan 0.000 0.438 61 V N 4.588 124.477 119.914 -0.042 0.000 2.384 61 V HA 0.441 4.559 4.120 -0.002 0.000 0.287 61 V C -0.376 175.728 176.094 0.017 0.000 1.020 61 V CA -0.963 61.333 62.300 -0.007 0.000 0.850 61 V CB 1.308 33.137 31.823 0.009 0.000 0.987 61 V HN 0.798 nan 8.190 nan 0.000 0.436 62 N N 4.024 122.741 118.700 0.028 0.000 2.446 62 N HA 0.332 5.071 4.740 -0.002 0.000 0.265 62 N C -1.339 174.226 175.510 0.093 0.000 0.975 62 N CA -0.350 52.728 53.050 0.046 0.000 0.928 62 N CB 2.336 40.830 38.487 0.013 0.000 1.160 62 N HN 0.749 nan 8.380 nan 0.000 0.495 63 Y N 2.568 122.858 120.300 -0.016 0.000 2.335 63 Y HA 0.237 4.786 4.550 -0.002 0.000 0.338 63 Y C -0.744 175.149 175.900 -0.012 0.000 0.977 63 Y CA -0.651 57.441 58.100 -0.013 0.000 1.114 63 Y CB 0.994 39.447 38.460 -0.012 0.000 1.182 63 Y HN 0.405 nan 8.280 nan 0.000 0.463 64 Q N 4.224 123.705 119.800 -0.532 0.000 2.305 64 Q HA 0.474 4.812 4.340 -0.002 0.000 0.271 64 Q C -1.664 174.022 176.000 -0.524 0.000 1.046 64 Q CA -1.020 54.545 55.803 -0.395 0.000 0.798 64 Q CB 2.603 31.232 28.738 -0.181 0.000 1.286 64 Q HN 0.661 nan 8.270 nan 0.000 0.435 65 E N 2.315 122.287 120.200 -0.380 0.000 2.134 65 E HA 0.326 4.675 4.350 -0.002 0.000 0.278 65 E C -0.707 175.737 176.600 -0.259 0.000 0.959 65 E CA -0.897 55.321 56.400 -0.304 0.000 0.783 65 E CB 1.233 30.831 29.700 -0.170 0.000 1.095 65 E HN 0.239 nan 8.360 nan 0.000 0.399 66 R N 1.538 121.821 120.500 -0.363 0.000 2.297 66 R HA 0.098 4.436 4.340 -0.002 0.000 0.308 66 R C 1.144 177.163 176.300 -0.470 0.000 1.029 66 R CA -0.105 55.675 56.100 -0.534 0.000 0.929 66 R CB 0.952 30.587 30.300 -1.108 0.000 1.046 66 R HN 0.692 nan 8.270 nan 0.000 0.461 67 T N -1.011 113.368 114.554 -0.292 0.000 3.035 67 T HA -0.135 4.214 4.350 -0.002 0.000 0.268 67 T C 1.676 176.331 174.700 -0.076 0.000 1.109 67 T CA 0.944 62.962 62.100 -0.136 0.000 1.119 67 T CB -0.359 68.481 68.868 -0.046 0.000 0.900 67 T HN 0.737 nan 8.240 nan 0.000 0.503 68 Y N 0.667 120.961 120.300 -0.010 0.000 2.571 68 Y HA 0.502 5.051 4.550 -0.002 0.000 0.294 68 Y C 2.501 178.395 175.900 -0.011 0.000 1.141 68 Y CA -0.169 57.924 58.100 -0.011 0.000 1.308 68 Y CB -0.725 37.725 38.460 -0.016 0.000 1.002 68 Y HN 0.241 nan 8.280 nan 0.000 0.551 69 A N 1.383 124.175 122.820 -0.045 0.000 1.972 69 A HA 0.069 4.388 4.320 -0.002 0.000 0.219 69 A C 2.195 179.798 177.584 0.031 0.000 1.169 69 A CA 1.455 53.499 52.037 0.012 0.000 0.635 69 A CB -0.915 18.023 19.000 -0.103 0.000 0.810 69 A HN 0.647 nan 8.150 nan 0.000 0.446 70 A N -1.985 120.842 122.820 0.013 0.000 2.387 70 A HA 0.466 4.784 4.320 -0.002 0.000 0.234 70 A C 1.492 179.096 177.584 0.034 0.000 1.253 70 A CA 0.930 52.979 52.037 0.019 0.000 0.894 70 A CB -0.707 18.296 19.000 0.005 0.000 0.963 70 A HN 1.839 nan 8.150 nan 0.000 0.508 71 G N -0.054 108.781 108.800 0.058 0.000 2.225 71 G HA2 -0.235 3.724 3.960 -0.002 0.000 0.264 71 G HA3 -0.235 3.724 3.960 -0.002 0.000 0.264 71 G C 0.069 174.997 174.900 0.046 0.000 1.060 71 G CA 0.410 45.545 45.100 0.058 0.000 0.833 71 G HN 0.621 nan 8.290 nan 0.000 0.498 72 R N -1.216 119.313 120.500 0.048 0.000 2.803 72 R HA 0.723 5.062 4.340 -0.002 0.000 0.276 72 R C -0.050 176.275 176.300 0.043 0.000 0.978 72 R CA -1.026 55.094 56.100 0.034 0.000 0.939 72 R CB 1.564 31.876 30.300 0.020 0.000 1.179 72 R HN 0.205 nan 8.270 nan 0.000 0.472 73 I N 2.705 123.295 120.570 0.033 0.000 2.377 73 I HA 0.294 4.462 4.170 -0.002 0.000 0.293 73 I C -2.043 174.089 176.117 0.025 0.000 0.987 73 I CA -2.425 58.895 61.300 0.034 0.000 1.185 73 I CB 1.746 39.762 38.000 0.025 0.000 1.341 73 I HN 0.224 nan 8.210 nan 0.000 0.455 74 P HA -0.002 nan 4.420 nan 0.000 0.264 74 P C 0.882 178.198 177.300 0.026 0.000 1.183 74 P CA 0.128 63.244 63.100 0.026 0.000 0.763 74 P CB 0.634 32.356 31.700 0.037 0.000 0.807 75 G N 1.709 110.525 108.800 0.027 0.000 2.650 75 G HA2 -0.065 3.894 3.960 -0.002 0.000 0.214 75 G HA3 -0.065 3.894 3.960 -0.002 0.000 0.214 75 G C 0.504 175.425 174.900 0.035 0.000 1.136 75 G CA 0.157 45.273 45.100 0.027 0.000 0.789 75 G HN 0.634 nan 8.290 nan 0.000 0.536 76 S N -0.637 115.093 115.700 0.050 0.000 2.589 76 S HA 0.224 4.693 4.470 -0.002 0.000 0.265 76 S C 1.051 175.680 174.600 0.049 0.000 1.342 76 S CA -0.537 57.706 58.200 0.072 0.000 1.005 76 S CB 0.760 64.030 63.200 0.117 0.000 0.909 76 S HN 0.172 nan 8.310 nan 0.000 0.555 77 F N 1.113 120.959 119.950 -0.172 0.000 2.192 77 F HA -0.053 4.474 4.527 -0.001 0.000 0.301 77 F C 1.185 176.772 175.800 -0.354 0.000 1.079 77 F CA 1.207 59.005 58.000 -0.336 0.000 1.303 77 F CB -0.415 38.245 39.000 -0.566 0.000 1.024 77 F HN 0.586 nan 8.300 nan 0.000 0.494 78 F N 0.291 120.228 119.950 -0.022 0.000 2.765 78 F HA 0.230 4.755 4.527 -0.003 0.000 0.302 78 F C 0.906 176.652 175.800 -0.090 0.000 1.111 78 F CA 0.021 57.956 58.000 -0.108 0.000 1.359 78 F CB -0.302 38.705 39.000 0.011 0.000 1.097 78 F HN -0.226 nan 8.300 nan 0.000 0.577 79 R N 0.775 121.312 120.500 0.063 0.000 3.641 79 R HA -0.230 4.109 4.340 -0.002 0.000 0.286 79 R C -0.053 176.288 176.300 0.069 0.000 1.153 79 R CA 0.435 56.559 56.100 0.039 0.000 0.775 79 R CB -2.184 28.113 30.300 -0.006 0.000 1.215 79 R HN 0.427 nan 8.270 nan 0.000 0.474 80 R N 0.526 121.089 120.500 0.106 0.000 2.698 80 R HA 0.265 4.604 4.340 -0.002 0.000 0.275 80 R C -0.865 175.481 176.300 0.076 0.000 1.001 80 R CA -0.754 55.395 56.100 0.082 0.000 0.896 80 R CB 1.519 31.863 30.300 0.074 0.000 1.218 80 R HN -0.031 nan 8.270 nan 0.000 0.462 81 E N 0.650 120.873 120.200 0.039 0.000 2.376 81 E HA 0.229 4.578 4.350 -0.002 0.000 0.266 81 E C 0.213 176.829 176.600 0.027 0.000 1.009 81 E CA 0.434 56.846 56.400 0.021 0.000 0.902 81 E CB 1.328 31.015 29.700 -0.021 0.000 0.972 81 E HN 0.708 nan 8.360 nan 0.000 0.439 82 G N 1.546 110.369 108.800 0.037 0.000 3.341 82 G HA2 0.545 4.503 3.960 -0.002 0.000 0.177 82 G HA3 0.545 4.503 3.960 -0.002 0.000 0.177 82 G C -0.268 174.644 174.900 0.021 0.000 1.236 82 G CA -0.325 44.796 45.100 0.035 0.000 0.888 82 G HN 0.649 nan 8.290 nan 0.000 0.644 83 R N 1.157 121.673 120.500 0.027 0.000 2.570 83 R HA 0.470 4.809 4.340 -0.002 0.000 0.277 83 R C -1.826 174.487 176.300 0.022 0.000 1.039 83 R CA -0.826 55.286 56.100 0.020 0.000 1.065 83 R CB -1.388 28.925 30.300 0.022 0.000 0.964 83 R HN 0.570 nan 8.270 nan 0.000 0.428 84 P HA 0.020 nan 4.420 nan 0.000 0.262 84 P C -0.122 177.199 177.300 0.036 0.000 1.182 84 P CA 0.158 63.277 63.100 0.032 0.000 0.761 84 P CB 0.666 32.390 31.700 0.040 0.000 0.795 85 S N 1.082 116.808 115.700 0.045 0.000 2.634 85 S HA 0.044 4.512 4.470 -0.002 0.000 0.261 85 S C 1.348 175.974 174.600 0.044 0.000 1.271 85 S CA -0.345 57.881 58.200 0.043 0.000 0.985 85 S CB 0.710 63.938 63.200 0.047 0.000 0.968 85 S HN 0.570 nan 8.310 nan 0.000 0.568 86 E N 0.727 120.950 120.200 0.039 0.000 2.160 86 E HA -0.094 4.255 4.350 -0.002 0.000 0.195 86 E C 1.920 178.539 176.600 0.032 0.000 0.991 86 E CA 1.399 57.819 56.400 0.034 0.000 0.810 86 E CB -0.980 28.745 29.700 0.043 0.000 0.742 86 E HN 0.855 nan 8.360 nan 0.000 0.466 87 G N 0.100 108.926 108.800 0.043 0.000 2.403 87 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.216 87 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.216 87 G C 1.276 176.209 174.900 0.056 0.000 1.154 87 G CA 0.575 45.699 45.100 0.040 0.000 0.784 87 G HN 0.268 nan 8.290 nan 0.000 0.538 88 E N -0.039 120.232 120.200 0.119 0.000 2.152 88 E HA -0.055 4.294 4.350 -0.002 0.000 0.192 88 E C 2.676 179.361 176.600 0.142 0.000 0.983 88 E CA 1.185 57.730 56.400 0.243 0.000 0.818 88 E CB -0.033 29.806 29.700 0.232 0.000 0.758 88 E HN 0.300 nan 8.360 nan 0.000 0.467 89 T N 1.277 115.869 114.554 0.064 0.000 2.777 89 T HA -0.088 4.260 4.350 -0.002 0.000 0.266 89 T C 1.900 176.587 174.700 -0.022 0.000 1.040 89 T CA 0.719 62.833 62.100 0.022 0.000 1.141 89 T CB -0.103 68.770 68.868 0.008 0.000 0.868 89 T HN 0.081 nan 8.240 nan 0.000 0.444 90 L N 0.204 121.405 121.223 -0.037 0.000 2.093 90 L HA 0.007 4.346 4.340 -0.002 0.000 0.208 90 L C 2.340 179.140 176.870 -0.116 0.000 1.085 90 L CA 1.154 55.953 54.840 -0.067 0.000 0.755 90 L CB -0.491 41.535 42.059 -0.056 0.000 0.904 90 L HN 0.264 nan 8.230 nan 0.000 0.435 91 I N -0.420 120.032 120.570 -0.195 0.000 2.439 91 I HA -0.200 3.969 4.170 -0.002 0.000 0.251 91 I C 2.731 178.661 176.117 -0.311 0.000 1.139 91 I CA 0.862 61.936 61.300 -0.376 0.000 1.438 91 I CB -0.417 37.082 38.000 -0.835 0.000 1.085 91 I HN 0.161 nan 8.210 nan 0.000 0.427 92 A N 0.987 123.707 122.820 -0.168 0.000 1.933 92 A HA -0.193 4.126 4.320 -0.002 0.000 0.218 92 A C 2.395 179.953 177.584 -0.043 0.000 1.175 92 A CA 1.468 53.482 52.037 -0.039 0.000 0.628 92 A CB -0.492 18.531 19.000 0.038 0.000 0.814 92 A HN 0.319 nan 8.150 nan 0.000 0.444 93 R N -0.786 119.679 120.500 -0.058 0.000 2.090 93 R HA 0.094 4.433 4.340 -0.002 0.000 0.228 93 R C 1.931 178.205 176.300 -0.043 0.000 1.110 93 R CA 1.012 57.085 56.100 -0.046 0.000 0.973 93 R CB -0.391 29.876 30.300 -0.055 0.000 0.869 93 R HN 0.487 nan 8.270 nan 0.000 0.440 94 L N 0.362 121.542 121.223 -0.071 0.000 2.191 94 L HA -0.172 4.167 4.340 -0.002 0.000 0.212 94 L C 2.077 178.925 176.870 -0.037 0.000 1.103 94 L CA 1.207 56.009 54.840 -0.062 0.000 0.769 94 L CB -0.190 41.811 42.059 -0.096 0.000 0.908 94 L HN 0.208 nan 8.230 nan 0.000 0.438 95 I N -1.076 119.470 120.570 -0.040 0.000 2.400 95 I HA -0.215 3.954 4.170 -0.002 0.000 0.248 95 I C 2.317 178.455 176.117 0.034 0.000 1.109 95 I CA 0.928 62.226 61.300 -0.003 0.000 1.425 95 I CB -0.298 37.700 38.000 -0.004 0.000 1.094 95 I HN 0.252 nan 8.210 nan 0.000 0.425 96 D N 1.395 121.812 120.400 0.029 0.000 2.117 96 D HA -0.169 4.469 4.640 -0.002 0.000 0.198 96 D C 2.286 178.637 176.300 0.086 0.000 0.982 96 D CA 1.313 55.348 54.000 0.058 0.000 0.828 96 D CB 0.163 40.979 40.800 0.026 0.000 0.967 96 D HN 0.214 nan 8.370 nan 0.000 0.464 97 R N 0.246 120.777 120.500 0.053 0.000 2.081 97 R HA -0.085 4.254 4.340 -0.002 0.000 0.235 97 R C -0.514 175.830 176.300 0.073 0.000 1.131 97 R CA 1.774 57.907 56.100 0.056 0.000 0.960 97 R CB -0.897 29.416 30.300 0.022 0.000 0.856 97 R HN 0.377 nan 8.270 nan 0.000 0.436 98 P HA -0.076 nan 4.420 nan 0.000 0.227 98 P C 1.258 178.629 177.300 0.118 0.000 1.161 98 P CA 1.136 64.278 63.100 0.070 0.000 0.788 98 P CB -0.051 31.680 31.700 0.052 0.000 0.822 99 I N -2.837 117.847 120.570 0.189 0.000 2.716 99 I HA 0.101 4.269 4.170 -0.002 0.000 0.259 99 I C 2.696 179.086 176.117 0.454 0.000 1.172 99 I CA 0.453 61.952 61.300 0.332 0.000 1.478 99 I CB -0.596 37.600 38.000 0.327 0.000 1.104 99 I HN -0.274 nan 8.210 nan 0.000 0.439 100 R N 1.988 122.727 120.500 0.398 0.000 2.083 100 R HA -0.087 4.252 4.340 -0.002 0.000 0.237 100 R C -0.490 176.060 176.300 0.417 0.000 1.137 100 R CA 2.152 58.541 56.100 0.483 0.000 0.951 100 R CB -1.246 29.232 30.300 0.297 0.000 0.851 100 R HN 0.346 nan 8.270 nan 0.000 0.434 101 P HA -0.041 nan 4.420 nan 0.000 0.233 101 P C 0.676 178.003 177.300 0.045 0.000 1.167 101 P CA 0.903 64.082 63.100 0.132 0.000 0.770 101 P CB 0.087 31.831 31.700 0.074 0.000 0.837 102 L N -2.571 118.644 121.223 -0.013 0.000 2.492 102 L HA 0.097 4.436 4.340 -0.002 0.000 0.223 102 L C 0.622 177.264 176.870 -0.380 0.000 1.132 102 L CA -0.041 54.617 54.840 -0.303 0.000 0.850 102 L CB -0.410 41.260 42.059 -0.649 0.000 0.966 102 L HN -0.098 nan 8.230 nan 0.000 0.454 103 F N 1.028 120.907 119.950 -0.118 0.000 2.443 103 F HA 0.222 4.748 4.527 -0.002 0.000 0.353 103 F C -1.635 173.983 175.800 -0.302 0.000 1.101 103 F CA -2.351 55.469 58.000 -0.300 0.000 1.226 103 F CB -0.243 38.463 39.000 -0.490 0.000 1.140 103 F HN -0.216 nan 8.300 nan 0.000 0.557 104 P HA -0.024 nan 4.420 nan 0.000 0.269 104 P C -0.663 176.666 177.300 0.048 0.000 1.209 104 P CA -0.389 62.678 63.100 -0.055 0.000 0.776 104 P CB 0.450 32.142 31.700 -0.013 0.000 0.876 105 E N 1.321 121.596 120.200 0.123 0.000 2.417 105 E HA 0.238 4.587 4.350 -0.002 0.000 0.261 105 E C 1.020 177.794 176.600 0.290 0.000 1.000 105 E CA 0.793 57.289 56.400 0.160 0.000 0.919 105 E CB -0.673 29.108 29.700 0.134 0.000 0.955 105 E HN 0.725 nan 8.360 nan 0.000 0.455 106 G N 4.112 113.072 108.800 0.266 0.000 2.232 106 G HA2 -0.297 3.662 3.960 -0.002 0.000 0.226 106 G HA3 -0.297 3.662 3.960 -0.002 0.000 0.226 106 G C -0.053 175.134 174.900 0.479 0.000 0.996 106 G CA -0.091 45.233 45.100 0.374 0.000 0.626 106 G HN 0.576 nan 8.290 nan 0.000 0.509 107 F N 2.679 122.652 119.950 0.039 0.000 2.502 107 F HA 0.465 4.991 4.527 -0.002 0.000 0.371 107 F C 1.296 176.948 175.800 -0.247 0.000 1.083 107 F CA 0.401 58.161 58.000 -0.401 0.000 1.174 107 F CB 1.232 39.647 39.000 -0.975 0.000 1.096 107 F HN 0.424 nan 8.300 nan 0.000 0.545 108 V N 1.517 121.120 119.914 -0.519 0.000 3.166 108 V HA 0.347 4.465 4.120 -0.002 0.000 0.332 108 V C -0.012 175.859 176.094 -0.372 0.000 1.434 108 V CA -0.678 61.465 62.300 -0.261 0.000 1.121 108 V CB -0.887 30.878 31.823 -0.095 0.000 1.062 108 V HN 0.602 nan 8.190 nan 0.000 0.489 109 N N 2.501 120.727 118.700 -0.790 0.000 2.518 109 N HA 0.197 4.936 4.740 -0.002 0.000 0.266 109 N C -0.047 175.319 175.510 -0.241 0.000 1.196 109 N CA 0.149 52.926 53.050 -0.455 0.000 0.947 109 N CB 0.611 38.867 38.487 -0.385 0.000 1.098 109 N HN 0.638 nan 8.380 nan 0.000 0.450 110 E N 1.054 121.163 120.200 -0.151 0.000 2.324 110 E HA 0.182 4.531 4.350 -0.002 0.000 0.271 110 E C -1.136 175.412 176.600 -0.086 0.000 1.028 110 E CA -0.218 56.083 56.400 -0.166 0.000 0.890 110 E CB 0.432 30.047 29.700 -0.140 0.000 1.004 110 E HN 0.192 nan 8.360 nan 0.000 0.431 111 V N 5.141 124.953 119.914 -0.170 0.000 2.588 111 V HA 0.266 4.385 4.120 -0.002 0.000 0.304 111 V C -0.477 175.527 176.094 -0.150 0.000 1.042 111 V CA -0.719 61.519 62.300 -0.104 0.000 0.877 111 V CB 1.694 33.475 31.823 -0.069 0.000 0.996 111 V HN 0.705 nan 8.190 nan 0.000 0.425 112 Q N 3.110 122.862 119.800 -0.079 0.000 2.321 112 Q HA 0.703 5.042 4.340 -0.002 0.000 0.270 112 Q C -1.910 174.058 176.000 -0.052 0.000 1.032 112 Q CA -0.475 55.284 55.803 -0.073 0.000 0.784 112 Q CB 2.407 31.112 28.738 -0.055 0.000 1.264 112 Q HN 0.598 nan 8.270 nan 0.000 0.448 113 V N 5.934 125.819 119.914 -0.049 0.000 2.384 113 V HA 0.487 4.606 4.120 -0.002 0.000 0.287 113 V C -0.358 175.720 176.094 -0.028 0.000 1.020 113 V CA -0.515 61.759 62.300 -0.044 0.000 0.850 113 V CB 1.450 33.252 31.823 -0.036 0.000 0.987 113 V HN 0.703 nan 8.190 nan 0.000 0.436 114 I N 4.280 124.827 120.570 -0.038 0.000 2.382 114 I HA 0.716 4.885 4.170 -0.002 0.000 0.286 114 I C 0.213 176.313 176.117 -0.029 0.000 1.002 114 I CA -0.485 60.803 61.300 -0.020 0.000 1.135 114 I CB 1.796 39.788 38.000 -0.012 0.000 1.288 114 I HN 0.653 nan 8.210 nan 0.000 0.448 115 A N 4.432 127.256 122.820 0.007 0.000 2.287 115 A HA 0.784 5.102 4.320 -0.002 0.000 0.317 115 A C -0.322 177.222 177.584 -0.066 0.000 1.220 115 A CA -0.422 51.624 52.037 0.016 0.000 0.835 115 A CB 0.735 19.819 19.000 0.140 0.000 1.180 115 A HN 0.614 nan 8.150 nan 0.000 0.500 116 T N 2.309 116.848 114.554 -0.026 0.000 2.786 116 T HA 0.415 4.764 4.350 -0.002 0.000 0.283 116 T C -0.179 174.487 174.700 -0.056 0.000 0.992 116 T CA -0.378 61.679 62.100 -0.070 0.000 0.954 116 T CB 1.176 70.072 68.868 0.046 0.000 0.934 116 T HN 0.403 nan 8.240 nan 0.000 0.440 117 V N 4.746 124.549 119.914 -0.186 0.000 2.439 117 V HA 0.100 4.219 4.120 -0.002 0.000 0.271 117 V C 1.417 177.445 176.094 -0.111 0.000 1.040 117 V CA -0.024 62.207 62.300 -0.115 0.000 1.002 117 V CB 0.456 32.190 31.823 -0.148 0.000 1.000 117 V HN 0.899 nan 8.190 nan 0.000 0.477 118 V N 1.460 121.376 119.914 0.003 0.000 3.645 118 V HA 0.440 4.558 4.120 -0.002 0.000 0.275 118 V C 0.585 176.754 176.094 0.124 0.000 1.356 118 V CA 0.458 62.819 62.300 0.102 0.000 1.051 118 V CB 0.616 32.543 31.823 0.174 0.000 0.828 118 V HN 0.690 nan 8.190 nan 0.000 0.441 119 S N -0.853 114.881 115.700 0.057 0.000 2.535 119 S HA 0.714 5.183 4.470 -0.002 0.000 0.272 119 S C -1.695 172.920 174.600 0.026 0.000 1.149 119 S CA -0.151 58.081 58.200 0.053 0.000 0.888 119 S CB 2.144 65.378 63.200 0.056 0.000 1.110 119 S HN 0.718 nan 8.310 nan 0.000 0.463 120 V N 4.808 124.734 119.914 0.020 0.000 2.668 120 V HA 0.570 4.689 4.120 -0.002 0.000 0.304 120 V C -1.130 174.970 176.094 0.011 0.000 1.071 120 V CA -0.754 61.553 62.300 0.012 0.000 0.894 120 V CB 1.891 33.718 31.823 0.007 0.000 1.008 120 V HN 0.938 nan 8.190 nan 0.000 0.425 121 N N 8.497 127.199 118.700 0.003 0.000 2.414 121 N HA 0.419 5.158 4.740 -0.002 0.000 0.256 121 N C -1.651 173.860 175.510 0.003 0.000 1.029 121 N CA -1.988 51.063 53.050 0.002 0.000 0.948 121 N CB 2.103 40.585 38.487 -0.009 0.000 1.102 121 N HN 0.444 nan 8.380 nan 0.000 0.496 122 P HA -0.089 nan 4.420 nan 0.000 0.236 122 P C 0.359 177.668 177.300 0.015 0.000 1.172 122 P CA 0.981 64.090 63.100 0.014 0.000 0.759 122 P CB 0.574 32.284 31.700 0.016 0.000 0.843 123 Q N -0.895 118.913 119.800 0.013 0.000 2.352 123 Q HA 0.151 4.490 4.340 -0.002 0.000 0.212 123 Q C 0.315 176.318 176.000 0.005 0.000 0.888 123 Q CA 0.323 56.138 55.803 0.020 0.000 0.934 123 Q CB 0.888 29.647 28.738 0.036 0.000 1.093 123 Q HN 0.164 nan 8.270 nan 0.000 0.523 124 V N 2.584 122.482 119.914 -0.026 0.000 2.350 124 V HA 0.233 4.352 4.120 -0.002 0.000 0.285 124 V C 0.041 176.113 176.094 -0.038 0.000 1.014 124 V CA -1.069 61.185 62.300 -0.077 0.000 0.831 124 V CB 1.464 33.183 31.823 -0.173 0.000 1.000 124 V HN 0.123 nan 8.190 nan 0.000 0.433 125 N N 7.620 126.308 118.700 -0.020 0.000 2.452 125 N HA 0.143 4.882 4.740 -0.002 0.000 0.266 125 N C -1.234 174.284 175.510 0.014 0.000 1.209 125 N CA -1.431 51.622 53.050 0.005 0.000 0.929 125 N CB 1.884 40.377 38.487 0.009 0.000 1.063 125 N HN 0.343 nan 8.380 nan 0.000 0.472 126 P HA -0.087 nan 4.420 nan 0.000 0.230 126 P C 0.509 177.862 177.300 0.089 0.000 1.158 126 P CA 0.669 63.822 63.100 0.087 0.000 0.769 126 P CB 0.290 32.081 31.700 0.151 0.000 0.807 127 D N 0.357 120.769 120.400 0.020 0.000 2.117 127 D HA -0.162 4.477 4.640 -0.002 0.000 0.198 127 D C 1.874 178.161 176.300 -0.022 0.000 0.982 127 D CA 0.925 54.883 54.000 -0.069 0.000 0.828 127 D CB -1.024 39.700 40.800 -0.126 0.000 0.967 127 D HN 0.080 nan 8.370 nan 0.000 0.464 128 I N 0.916 121.495 120.570 0.015 0.000 2.252 128 I HA -0.166 4.003 4.170 -0.002 0.000 0.245 128 I C 2.617 178.773 176.117 0.066 0.000 1.102 128 I CA 0.512 61.843 61.300 0.052 0.000 1.385 128 I CB -0.869 37.181 38.000 0.082 0.000 1.064 128 I HN -0.008 nan 8.210 nan 0.000 0.414 129 V N 1.530 121.480 119.914 0.060 0.000 2.343 129 V HA -0.238 3.881 4.120 -0.002 0.000 0.247 129 V C 2.840 178.975 176.094 0.068 0.000 1.051 129 V CA 1.794 64.132 62.300 0.062 0.000 1.036 129 V CB -1.297 30.555 31.823 0.049 0.000 0.654 129 V HN 0.447 nan 8.190 nan 0.000 0.451 130 A N -0.686 122.185 122.820 0.086 0.000 1.969 130 A HA -0.170 4.149 4.320 -0.002 0.000 0.218 130 A C 2.232 179.849 177.584 0.054 0.000 1.169 130 A CA 1.982 54.081 52.037 0.104 0.000 0.635 130 A CB -0.464 18.660 19.000 0.207 0.000 0.810 130 A HN 0.511 nan 8.150 nan 0.000 0.445 131 M N -0.847 118.774 119.600 0.034 0.000 2.200 131 M HA -0.007 4.472 4.480 -0.002 0.000 0.265 131 M C 1.927 178.244 176.300 0.029 0.000 1.066 131 M CA 1.294 56.608 55.300 0.024 0.000 1.127 131 M CB -0.380 32.232 32.600 0.021 0.000 1.379 131 M HN 0.371 nan 8.290 nan 0.000 0.420 132 I N -0.255 120.338 120.570 0.039 0.000 2.315 132 I HA -0.159 4.010 4.170 -0.002 0.000 0.248 132 I C 2.548 178.678 176.117 0.022 0.000 1.117 132 I CA 1.225 62.547 61.300 0.036 0.000 1.404 132 I CB -0.832 37.203 38.000 0.059 0.000 1.071 132 I HN 0.351 nan 8.210 nan 0.000 0.419 133 G N 0.564 109.376 108.800 0.019 0.000 2.418 133 G HA2 -0.226 3.733 3.960 -0.002 0.000 0.217 133 G HA3 -0.226 3.733 3.960 -0.002 0.000 0.217 133 G C 1.867 176.740 174.900 -0.045 0.000 1.158 133 G CA 0.794 45.889 45.100 -0.009 0.000 0.771 133 G HN 0.477 nan 8.290 nan 0.000 0.545 134 A N 0.408 123.206 122.820 -0.036 0.000 1.930 134 A HA 0.029 4.348 4.320 -0.002 0.000 0.217 134 A C 2.618 180.136 177.584 -0.110 0.000 1.175 134 A CA 2.228 54.222 52.037 -0.071 0.000 0.627 134 A CB -0.714 18.264 19.000 -0.036 0.000 0.815 134 A HN 0.412 nan 8.150 nan 0.000 0.443 135 S N -0.443 115.229 115.700 -0.047 0.000 2.355 135 S HA -0.017 4.452 4.470 -0.002 0.000 0.222 135 S C 2.192 176.769 174.600 -0.038 0.000 1.031 135 S CA 1.535 59.728 58.200 -0.011 0.000 0.993 135 S CB -0.441 62.783 63.200 0.040 0.000 0.859 135 S HN 0.782 nan 8.310 nan 0.000 0.453 136 A N 1.159 123.955 122.820 -0.039 0.000 1.898 136 A HA 0.263 4.582 4.320 -0.002 0.000 0.216 136 A C 2.418 179.957 177.584 -0.074 0.000 1.181 136 A CA 1.744 53.757 52.037 -0.039 0.000 0.620 136 A CB -1.256 17.736 19.000 -0.014 0.000 0.819 136 A HN 0.714 nan 8.150 nan 0.000 0.442 137 A N -0.421 122.334 122.820 -0.109 0.000 1.898 137 A HA 0.035 4.353 4.320 -0.002 0.000 0.216 137 A C 2.142 179.616 177.584 -0.183 0.000 1.181 137 A CA 1.365 53.320 52.037 -0.136 0.000 0.620 137 A CB -0.537 18.370 19.000 -0.156 0.000 0.819 137 A HN 0.446 nan 8.150 nan 0.000 0.442 138 L N -0.385 120.665 121.223 -0.287 0.000 2.141 138 L HA -0.121 4.218 4.340 -0.002 0.000 0.209 138 L C 2.692 179.356 176.870 -0.343 0.000 1.094 138 L CA 1.310 55.854 54.840 -0.493 0.000 0.763 138 L CB -0.186 41.212 42.059 -1.102 0.000 0.908 138 L HN 0.315 nan 8.230 nan 0.000 0.437 139 S N -0.322 115.286 115.700 -0.152 0.000 2.406 139 S HA -0.023 4.446 4.470 -0.002 0.000 0.228 139 S C 1.871 176.443 174.600 -0.046 0.000 1.020 139 S CA 0.826 59.020 58.200 -0.011 0.000 0.965 139 S CB -0.055 63.163 63.200 0.030 0.000 0.798 139 S HN 0.296 nan 8.310 nan 0.000 0.488 140 L N 1.720 122.904 121.223 -0.064 0.000 2.313 140 L HA -0.019 4.320 4.340 -0.002 0.000 0.214 140 L C 2.607 179.453 176.870 -0.040 0.000 1.119 140 L CA 0.913 55.729 54.840 -0.041 0.000 0.809 140 L CB -0.517 41.522 42.059 -0.034 0.000 0.933 140 L HN 0.397 nan 8.230 nan 0.000 0.449 141 S N -0.392 115.259 115.700 -0.083 0.000 2.382 141 S HA -0.076 4.393 4.470 -0.002 0.000 0.228 141 S C 1.777 176.343 174.600 -0.058 0.000 1.027 141 S CA 1.001 59.156 58.200 -0.076 0.000 0.991 141 S CB -0.276 62.834 63.200 -0.150 0.000 0.823 141 S HN 0.516 nan 8.310 nan 0.000 0.469 142 G N 0.917 109.643 108.800 -0.124 0.000 2.195 142 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.246 142 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.246 142 G C 0.080 174.701 174.900 -0.466 0.000 0.984 142 G CA 0.016 45.053 45.100 -0.105 0.000 0.633 142 G HN 0.603 nan 8.290 nan 0.000 0.525 143 I N 2.661 122.770 120.570 -0.767 0.000 2.683 143 I HA 0.179 4.348 4.170 -0.002 0.000 0.286 143 I C -1.594 174.109 176.117 -0.689 0.000 1.175 143 I CA -1.567 59.049 61.300 -1.139 0.000 1.429 143 I CB 0.563 38.072 38.000 -0.818 0.000 1.371 143 I HN -0.112 nan 8.210 nan 0.000 0.569 144 P HA -0.055 nan 4.420 nan 0.000 0.255 144 P C -0.919 176.039 177.300 -0.570 0.000 1.173 144 P CA 0.688 63.413 63.100 -0.624 0.000 0.780 144 P CB -0.133 31.002 31.700 -0.941 0.000 0.758 145 F N 3.552 123.149 119.950 -0.589 0.000 2.651 145 F HA 0.278 4.804 4.527 -0.002 0.000 0.329 145 F C -0.295 175.245 175.800 -0.434 0.000 1.186 145 F CA -0.709 56.883 58.000 -0.680 0.000 1.046 145 F CB 1.252 39.812 39.000 -0.733 0.000 1.296 145 F HN 0.039 nan 8.300 nan 0.000 0.497 146 N N 4.092 122.236 118.700 -0.926 0.000 2.466 146 N HA 0.180 4.919 4.740 -0.002 0.000 0.251 146 N C 0.597 175.642 175.510 -0.775 0.000 1.164 146 N CA 0.337 52.994 53.050 -0.656 0.000 0.888 146 N CB 0.688 38.919 38.487 -0.426 0.000 1.177 146 N HN 0.804 nan 8.380 nan 0.000 0.498 147 G N 1.094 109.230 108.800 -1.105 0.000 2.582 147 G HA2 0.361 4.320 3.960 -0.002 0.000 0.232 147 G HA3 0.361 4.320 3.960 -0.002 0.000 0.232 147 G C -2.289 172.443 174.900 -0.280 0.000 1.458 147 G CA -0.478 44.218 45.100 -0.673 0.000 1.062 147 G HN 0.096 nan 8.290 nan 0.000 0.566 148 P HA 0.401 nan 4.420 nan 0.000 0.278 148 P C -0.348 176.915 177.300 -0.062 0.000 1.258 148 P CA -0.442 62.642 63.100 -0.028 0.000 0.811 148 P CB 1.060 32.748 31.700 -0.019 0.000 1.063 149 I N -2.361 118.214 120.570 0.009 0.000 2.707 149 I HA 0.851 5.020 4.170 -0.002 0.000 0.309 149 I C 0.302 176.410 176.117 -0.015 0.000 1.001 149 I CA -0.826 60.471 61.300 -0.006 0.000 1.129 149 I CB 1.804 39.824 38.000 0.034 0.000 1.308 149 I HN 0.310 nan 8.210 nan 0.000 0.466 150 G N 1.973 110.758 108.800 -0.025 0.000 2.705 150 G HA2 0.830 4.789 3.960 -0.002 0.000 0.299 150 G HA3 0.830 4.789 3.960 -0.002 0.000 0.299 150 G C -1.447 173.466 174.900 0.021 0.000 1.315 150 G CA -0.683 44.397 45.100 -0.034 0.000 1.045 150 G HN 1.090 nan 8.290 nan 0.000 0.517 151 A N -1.496 121.355 122.820 0.052 0.000 2.517 151 A HA 0.875 5.194 4.320 -0.002 0.000 0.297 151 A C -0.633 177.063 177.584 0.186 0.000 1.050 151 A CA 0.090 52.185 52.037 0.097 0.000 0.694 151 A CB 1.431 20.479 19.000 0.080 0.000 1.277 151 A HN 2.213 nan 8.150 nan 0.000 0.400 152 A N 1.780 124.692 122.820 0.152 0.000 2.459 152 A HA 0.779 5.098 4.320 -0.002 0.000 0.296 152 A C -0.508 177.139 177.584 0.105 0.000 1.039 152 A CA -0.549 51.587 52.037 0.164 0.000 0.698 152 A CB 1.146 20.241 19.000 0.159 0.000 1.261 152 A HN 1.066 nan 8.150 nan 0.000 0.405 153 R N 1.926 122.481 120.500 0.092 0.000 2.297 153 R HA 0.631 4.969 4.340 -0.002 0.000 0.308 153 R C -1.436 174.935 176.300 0.118 0.000 1.029 153 R CA -0.212 55.938 56.100 0.083 0.000 0.929 153 R CB 0.998 31.336 30.300 0.063 0.000 1.046 153 R HN 0.475 nan 8.270 nan 0.000 0.461 154 V N 4.118 124.109 119.914 0.128 0.000 2.448 154 V HA 0.549 4.668 4.120 -0.002 0.000 0.295 154 V C 0.637 176.821 176.094 0.151 0.000 1.025 154 V CA -0.605 61.803 62.300 0.181 0.000 0.859 154 V CB 1.516 33.453 31.823 0.191 0.000 0.988 154 V HN 0.995 nan 8.190 nan 0.000 0.431 155 G N 2.181 111.078 108.800 0.163 0.000 2.601 155 G HA2 0.574 4.533 3.960 -0.002 0.000 0.317 155 G HA3 0.574 4.533 3.960 -0.002 0.000 0.317 155 G C -1.829 173.218 174.900 0.246 0.000 1.246 155 G CA -0.459 44.736 45.100 0.158 0.000 1.012 155 G HN 0.552 nan 8.290 nan 0.000 0.494 156 Y N 0.301 120.614 120.300 0.021 0.000 2.541 156 Y HA 0.522 5.071 4.550 -0.002 0.000 0.350 156 Y C -0.745 175.119 175.900 -0.060 0.000 1.075 156 Y CA -1.005 57.075 58.100 -0.035 0.000 1.302 156 Y CB 0.623 39.073 38.460 -0.016 0.000 1.094 156 Y HN 0.318 nan 8.280 nan 0.000 0.579 157 I N 4.779 125.202 120.570 -0.245 0.000 2.406 157 I HA 0.295 4.464 4.170 -0.002 0.000 0.290 157 I C -0.134 175.789 176.117 -0.323 0.000 0.999 157 I CA -0.849 60.320 61.300 -0.217 0.000 1.124 157 I CB 1.468 39.404 38.000 -0.108 0.000 1.289 157 I HN 0.533 nan 8.210 nan 0.000 0.441 158 N N 4.430 122.958 118.700 -0.286 0.000 2.725 158 N HA -0.202 4.536 4.740 -0.002 0.000 0.249 158 N C -0.535 174.731 175.510 -0.406 0.000 1.103 158 N CA 1.152 54.040 53.050 -0.271 0.000 0.707 158 N CB -1.035 37.339 38.487 -0.187 0.000 1.043 158 N HN 0.804 nan 8.380 nan 0.000 0.553 159 D N -1.551 118.428 120.400 -0.701 0.000 2.837 159 D HA -0.186 4.453 4.640 -0.002 0.000 0.230 159 D C -0.287 175.436 176.300 -0.962 0.000 1.152 159 D CA 1.179 54.570 54.000 -1.016 0.000 0.736 159 D CB -0.732 39.843 40.800 -0.374 0.000 1.084 159 D HN 0.512 nan 8.370 nan 0.000 0.429 160 Q N -0.589 118.650 119.800 -0.936 0.000 2.372 160 Q HA 0.370 4.708 4.340 -0.002 0.000 0.273 160 Q C -0.216 175.484 176.000 -0.501 0.000 1.078 160 Q CA -0.634 54.813 55.803 -0.594 0.000 0.806 160 Q CB 1.277 29.816 28.738 -0.331 0.000 1.332 160 Q HN 0.227 nan 8.270 nan 0.000 0.435 161 Y N 0.195 120.334 120.300 -0.269 0.000 2.425 161 Y HA 0.286 4.834 4.550 -0.002 0.000 0.331 161 Y C 0.523 176.156 175.900 -0.445 0.000 1.157 161 Y CA -0.451 57.387 58.100 -0.437 0.000 1.372 161 Y CB 0.833 38.652 38.460 -1.068 0.000 1.253 161 Y HN 0.173 nan 8.280 nan 0.000 0.536 162 V N 5.361 125.257 119.914 -0.031 0.000 2.487 162 V HA 0.198 4.317 4.120 -0.002 0.000 0.298 162 V C -0.605 175.619 176.094 0.218 0.000 1.028 162 V CA -0.925 61.416 62.300 0.069 0.000 0.860 162 V CB 1.685 33.530 31.823 0.038 0.000 0.991 162 V HN 0.512 nan 8.190 nan 0.000 0.427 163 L N 5.895 127.299 121.223 0.301 0.000 2.331 163 L HA 0.488 4.826 4.340 -0.002 0.000 0.278 163 L C 0.703 177.610 176.870 0.063 0.000 1.106 163 L CA 0.425 55.401 54.840 0.228 0.000 0.824 163 L CB 0.141 42.270 42.059 0.116 0.000 1.142 163 L HN 0.757 nan 8.230 nan 0.000 0.443 164 N N 3.672 122.400 118.700 0.046 0.000 2.678 164 N HA -0.162 4.576 4.740 -0.002 0.000 0.268 164 N C -2.364 173.198 175.510 0.088 0.000 1.010 164 N CA 0.688 53.765 53.050 0.045 0.000 0.784 164 N CB -1.278 37.209 38.487 0.001 0.000 0.905 164 N HN 0.528 nan 8.380 nan 0.000 0.552 165 P HA 0.043 nan 4.420 nan 0.000 0.271 165 P C 0.583 177.929 177.300 0.077 0.000 1.218 165 P CA -0.022 63.121 63.100 0.072 0.000 0.780 165 P CB 0.524 32.260 31.700 0.060 0.000 0.901 166 T N -0.354 114.247 114.554 0.079 0.000 2.748 166 T HA 0.022 4.371 4.350 -0.002 0.000 0.304 166 T C 1.473 176.200 174.700 0.046 0.000 1.041 166 T CA -0.383 61.759 62.100 0.070 0.000 1.033 166 T CB 0.229 69.139 68.868 0.071 0.000 0.995 166 T HN 0.299 nan 8.240 nan 0.000 0.536 167 Q N 0.474 120.297 119.800 0.038 0.000 2.181 167 Q HA -0.118 4.221 4.340 -0.002 0.000 0.205 167 Q C 1.810 177.827 176.000 0.029 0.000 0.980 167 Q CA 1.618 57.440 55.803 0.031 0.000 0.862 167 Q CB -0.490 28.264 28.738 0.027 0.000 0.905 167 Q HN 0.716 nan 8.270 nan 0.000 0.429 168 D N 0.487 120.904 120.400 0.027 0.000 2.183 168 D HA -0.098 4.540 4.640 -0.002 0.000 0.203 168 D C 1.595 177.906 176.300 0.019 0.000 0.969 168 D CA 0.739 54.752 54.000 0.022 0.000 0.842 168 D CB 0.052 40.864 40.800 0.020 0.000 0.957 168 D HN 0.387 nan 8.370 nan 0.000 0.484 169 E N -0.069 120.144 120.200 0.023 0.000 2.208 169 E HA -0.002 4.346 4.350 -0.002 0.000 0.193 169 E C 2.070 178.683 176.600 0.021 0.000 0.988 169 E CA 0.121 56.532 56.400 0.018 0.000 0.828 169 E CB 0.077 29.790 29.700 0.021 0.000 0.763 169 E HN 0.234 nan 8.360 nan 0.000 0.478 170 L N 0.872 122.112 121.223 0.029 0.000 2.275 170 L HA -0.145 4.194 4.340 -0.002 0.000 0.215 170 L C 2.033 178.920 176.870 0.029 0.000 1.119 170 L CA 0.881 55.741 54.840 0.034 0.000 0.790 170 L CB -0.117 41.965 42.059 0.037 0.000 0.919 170 L HN 0.029 nan 8.230 nan 0.000 0.443 171 K N -0.253 120.161 120.400 0.023 0.000 2.280 171 K HA -0.132 4.187 4.320 -0.002 0.000 0.202 171 K C 1.339 177.948 176.600 0.015 0.000 1.047 171 K CA 0.808 57.106 56.287 0.019 0.000 0.942 171 K CB 0.111 32.621 32.500 0.016 0.000 0.739 171 K HN 0.239 nan 8.250 nan 0.000 0.457 172 E N 0.090 120.297 120.200 0.011 0.000 2.481 172 E HA 0.052 4.401 4.350 -0.002 0.000 0.198 172 E C 0.019 176.622 176.600 0.004 0.000 1.027 172 E CA 0.082 56.482 56.400 0.001 0.000 0.900 172 E CB 0.813 30.506 29.700 -0.012 0.000 0.993 172 E HN -0.043 nan 8.360 nan 0.000 0.482 173 S N 0.622 116.336 115.700 0.023 0.000 2.562 173 S HA 0.104 4.573 4.470 -0.002 0.000 0.275 173 S C 0.913 175.554 174.600 0.069 0.000 1.281 173 S CA -0.331 57.898 58.200 0.048 0.000 1.045 173 S CB 0.985 64.222 63.200 0.063 0.000 0.962 173 S HN -0.153 nan 8.310 nan 0.000 0.503 174 K N 2.833 123.302 120.400 0.116 0.000 2.417 174 K HA 0.325 4.644 4.320 -0.002 0.000 0.196 174 K C -0.160 176.505 176.600 0.108 0.000 1.023 174 K CA -0.115 56.246 56.287 0.123 0.000 1.122 174 K CB -0.557 32.054 32.500 0.186 0.000 0.850 174 K HN 0.555 nan 8.250 nan 0.000 0.521 175 L N 0.130 121.422 121.223 0.115 0.000 2.505 175 L HA 0.543 4.882 4.340 -0.002 0.000 0.259 175 L C -2.310 174.605 176.870 0.076 0.000 0.952 175 L CA -0.477 54.413 54.840 0.083 0.000 0.840 175 L CB 2.558 44.672 42.059 0.091 0.000 1.358 175 L HN -0.101 nan 8.230 nan 0.000 0.409 176 D N 4.283 124.712 120.400 0.048 0.000 2.389 176 D HA 0.414 5.053 4.640 -0.002 0.000 0.256 176 D C -1.795 174.521 176.300 0.025 0.000 1.239 176 D CA 0.085 54.110 54.000 0.042 0.000 0.925 176 D CB 1.185 42.004 40.800 0.032 0.000 1.145 176 D HN 0.667 nan 8.370 nan 0.000 0.542 177 L N 3.245 124.489 121.223 0.035 0.000 2.386 177 L HA 0.691 5.030 4.340 -0.002 0.000 0.271 177 L C -1.477 175.409 176.870 0.026 0.000 0.993 177 L CA -0.690 54.160 54.840 0.017 0.000 0.819 177 L CB 1.984 44.051 42.059 0.014 0.000 1.294 177 L HN 0.065 nan 8.230 nan 0.000 0.414 178 V N 5.276 125.195 119.914 0.007 0.000 2.487 178 V HA 0.542 4.660 4.120 -0.002 0.000 0.298 178 V C -0.721 175.377 176.094 0.006 0.000 1.028 178 V CA -0.572 61.737 62.300 0.015 0.000 0.860 178 V CB 1.991 33.816 31.823 0.004 0.000 0.991 178 V HN 0.517 nan 8.190 nan 0.000 0.427 179 V N 4.849 124.780 119.914 0.028 0.000 2.588 179 V HA 0.967 5.086 4.120 -0.002 0.000 0.304 179 V C -0.252 175.871 176.094 0.049 0.000 1.042 179 V CA -0.088 62.227 62.300 0.025 0.000 0.877 179 V CB 1.834 33.676 31.823 0.031 0.000 0.996 179 V HN 1.111 nan 8.190 nan 0.000 0.425 180 A N 4.316 127.159 122.820 0.038 0.000 2.386 180 A HA 1.056 5.374 4.320 -0.002 0.000 0.311 180 A C -0.094 177.525 177.584 0.058 0.000 1.068 180 A CA 0.037 52.105 52.037 0.051 0.000 0.743 180 A CB 1.900 20.921 19.000 0.036 0.000 1.258 180 A HN 1.938 nan 8.150 nan 0.000 0.429 181 G N -0.243 108.608 108.800 0.086 0.000 2.506 181 G HA2 0.634 4.593 3.960 -0.002 0.000 0.292 181 G HA3 0.634 4.593 3.960 -0.002 0.000 0.292 181 G C -0.253 174.691 174.900 0.074 0.000 1.425 181 G CA 0.274 45.431 45.100 0.094 0.000 0.788 181 G HN 1.355 nan 8.290 nan 0.000 0.490 182 T N -2.213 112.369 114.554 0.048 0.000 2.753 182 T HA 0.332 4.680 4.350 -0.002 0.000 0.309 182 T C 1.282 175.995 174.700 0.021 0.000 1.043 182 T CA 0.637 62.728 62.100 -0.015 0.000 0.964 182 T CB 1.260 70.084 68.868 -0.073 0.000 1.206 182 T HN 0.648 nan 8.240 nan 0.000 0.528 183 E N -0.052 120.119 120.200 -0.049 0.000 2.153 183 E HA -0.125 4.224 4.350 -0.002 0.000 0.194 183 E C 2.096 178.700 176.600 0.006 0.000 0.988 183 E CA 1.075 57.432 56.400 -0.072 0.000 0.811 183 E CB -0.432 29.217 29.700 -0.085 0.000 0.746 183 E HN 0.727 nan 8.360 nan 0.000 0.466 184 A N 0.299 123.144 122.820 0.042 0.000 1.956 184 A HA 0.489 4.807 4.320 -0.002 0.000 0.212 184 A C 0.906 178.545 177.584 0.091 0.000 1.188 184 A CA 0.698 52.768 52.037 0.055 0.000 0.675 184 A CB 0.338 19.335 19.000 -0.006 0.000 0.845 184 A HN 0.272 nan 8.150 nan 0.000 0.455 185 A N -1.190 121.670 122.820 0.067 0.000 2.539 185 A HA 0.597 4.916 4.320 -0.002 0.000 0.296 185 A C -0.764 176.713 177.584 -0.178 0.000 1.073 185 A CA -0.431 51.544 52.037 -0.103 0.000 0.700 185 A CB 0.898 19.846 19.000 -0.087 0.000 1.296 185 A HN 0.356 nan 8.150 nan 0.000 0.405 186 V N 1.957 121.645 119.914 -0.377 0.000 2.614 186 V HA 0.192 4.311 4.120 -0.002 0.000 0.291 186 V C 0.809 176.840 176.094 -0.106 0.000 1.049 186 V CA 0.399 62.548 62.300 -0.251 0.000 1.038 186 V CB 0.952 32.613 31.823 -0.269 0.000 0.980 186 V HN 0.824 nan 8.190 nan 0.000 0.481 187 L N 3.289 124.480 121.223 -0.053 0.000 2.653 187 L HA 0.400 4.739 4.340 -0.002 0.000 0.230 187 L C 0.409 177.265 176.870 -0.023 0.000 1.055 187 L CA 0.430 55.253 54.840 -0.029 0.000 0.880 187 L CB 0.433 42.483 42.059 -0.015 0.000 1.195 187 L HN 0.494 nan 8.230 nan 0.000 0.492 188 M N 0.838 120.422 119.600 -0.027 0.000 2.324 188 M HA 0.471 4.950 4.480 -0.002 0.000 0.288 188 M C -2.189 174.079 176.300 -0.053 0.000 1.097 188 M CA -0.396 54.882 55.300 -0.036 0.000 0.928 188 M CB 2.399 34.991 32.600 -0.013 0.000 1.648 188 M HN -0.275 nan 8.290 nan 0.000 0.460 189 V N 3.578 123.438 119.914 -0.090 0.000 2.577 189 V HA 0.536 4.654 4.120 -0.002 0.000 0.303 189 V C -1.086 174.943 176.094 -0.107 0.000 1.042 189 V CA -0.563 61.677 62.300 -0.101 0.000 0.872 189 V CB 2.150 33.885 31.823 -0.148 0.000 0.998 189 V HN 0.874 nan 8.190 nan 0.000 0.423 190 E N 3.257 123.411 120.200 -0.077 0.000 2.246 190 E HA 0.777 5.126 4.350 -0.002 0.000 0.266 190 E C -0.826 175.738 176.600 -0.060 0.000 0.880 190 E CA -0.206 56.149 56.400 -0.074 0.000 0.762 190 E CB 2.047 31.712 29.700 -0.059 0.000 1.180 190 E HN 0.859 nan 8.360 nan 0.000 0.416 191 S N 2.779 118.439 115.700 -0.067 0.000 2.550 191 S HA 0.669 5.138 4.470 -0.002 0.000 0.270 191 S C -1.203 173.370 174.600 -0.044 0.000 1.145 191 S CA -1.089 57.083 58.200 -0.048 0.000 0.852 191 S CB 1.346 64.516 63.200 -0.051 0.000 1.119 191 S HN 0.529 nan 8.310 nan 0.000 0.465 192 E N 0.835 121.020 120.200 -0.024 0.000 2.293 192 E HA 0.786 5.135 4.350 -0.002 0.000 0.270 192 E C -1.013 175.584 176.600 -0.005 0.000 0.879 192 E CA -1.434 54.956 56.400 -0.017 0.000 0.756 192 E CB 2.040 31.737 29.700 -0.006 0.000 1.208 192 E HN 1.050 nan 8.360 nan 0.000 0.428 193 A N 2.527 125.343 122.820 -0.007 0.000 2.556 193 A HA 0.410 4.729 4.320 -0.002 0.000 0.294 193 A C -0.825 176.761 177.584 0.002 0.000 1.091 193 A CA -0.843 51.192 52.037 -0.002 0.000 0.704 193 A CB 1.681 20.668 19.000 -0.022 0.000 1.300 193 A HN 0.738 nan 8.150 nan 0.000 0.406 194 E N 1.426 121.633 120.200 0.012 0.000 2.232 194 E HA 0.408 4.757 4.350 -0.002 0.000 0.296 194 E C -0.906 175.698 176.600 0.007 0.000 1.372 194 E CA -0.185 56.223 56.400 0.013 0.000 1.527 194 E CB -0.528 29.187 29.700 0.026 0.000 1.424 194 E HN 0.552 nan 8.360 nan 0.000 0.485 195 L N 1.112 122.333 121.223 -0.004 0.000 3.632 195 L HA -0.264 4.075 4.340 -0.002 0.000 0.510 195 L C -0.383 176.480 176.870 -0.011 0.000 1.299 195 L CA 0.167 55.003 54.840 -0.007 0.000 0.829 195 L CB -1.552 40.505 42.059 -0.004 0.000 1.559 195 L HN 0.493 nan 8.230 nan 0.000 0.857 196 L N -0.292 120.914 121.223 -0.028 0.000 2.421 196 L HA 0.491 4.830 4.340 -0.002 0.000 0.263 196 L C 1.242 178.087 176.870 -0.041 0.000 1.122 196 L CA -0.030 54.777 54.840 -0.055 0.000 0.804 196 L CB 1.523 43.505 42.059 -0.129 0.000 1.150 196 L HN 0.489 nan 8.230 nan 0.000 0.457 197 S N -0.061 115.614 115.700 -0.042 0.000 2.608 197 S HA 0.101 4.569 4.470 -0.002 0.000 0.261 197 S C 0.730 175.322 174.600 -0.012 0.000 1.314 197 S CA -0.541 57.648 58.200 -0.017 0.000 0.992 197 S CB 1.106 64.301 63.200 -0.008 0.000 0.935 197 S HN 0.602 nan 8.310 nan 0.000 0.564 198 E N 0.712 120.916 120.200 0.007 0.000 2.110 198 E HA -0.090 4.258 4.350 -0.002 0.000 0.193 198 E C 1.412 178.026 176.600 0.023 0.000 0.988 198 E CA 1.594 58.007 56.400 0.021 0.000 0.804 198 E CB -0.262 29.455 29.700 0.028 0.000 0.745 198 E HN 0.655 nan 8.360 nan 0.000 0.458 199 D N 0.025 120.438 120.400 0.021 0.000 2.149 199 D HA -0.111 4.528 4.640 -0.002 0.000 0.201 199 D C 1.812 178.140 176.300 0.047 0.000 0.972 199 D CA 0.801 54.823 54.000 0.036 0.000 0.835 199 D CB -0.119 40.703 40.800 0.038 0.000 0.966 199 D HN 0.264 nan 8.370 nan 0.000 0.476 200 Q N -0.568 119.236 119.800 0.006 0.000 2.119 200 Q HA -0.043 4.296 4.340 -0.002 0.000 0.201 200 Q C 2.041 178.031 176.000 -0.017 0.000 0.972 200 Q CA 0.774 56.555 55.803 -0.036 0.000 0.847 200 Q CB 0.075 28.681 28.738 -0.220 0.000 0.903 200 Q HN 0.209 nan 8.270 nan 0.000 0.433 201 M N -0.083 119.496 119.600 -0.034 0.000 2.200 201 M HA -0.086 4.393 4.480 -0.002 0.000 0.265 201 M C 2.119 178.407 176.300 -0.021 0.000 1.066 201 M CA 0.938 56.217 55.300 -0.034 0.000 1.127 201 M CB -0.753 31.833 32.600 -0.024 0.000 1.379 201 M HN 0.235 nan 8.290 nan 0.000 0.420 202 L N 0.500 121.728 121.223 0.009 0.000 2.109 202 L HA 0.049 4.388 4.340 -0.002 0.000 0.207 202 L C 2.288 179.148 176.870 -0.016 0.000 1.086 202 L CA 1.867 56.715 54.840 0.013 0.000 0.760 202 L CB -1.256 40.824 42.059 0.036 0.000 0.910 202 L HN 0.301 nan 8.230 nan 0.000 0.437 203 G N -1.071 107.731 108.800 0.004 0.000 2.432 203 G HA2 -0.239 3.720 3.960 -0.002 0.000 0.219 203 G HA3 -0.239 3.720 3.960 -0.002 0.000 0.219 203 G C 1.570 176.186 174.900 -0.473 0.000 1.135 203 G CA 0.744 45.817 45.100 -0.044 0.000 0.767 203 G HN 0.607 nan 8.290 nan 0.000 0.550 204 A N 0.090 122.602 122.820 -0.514 0.000 1.929 204 A HA 0.157 4.476 4.320 -0.002 0.000 0.216 204 A C 2.572 180.052 177.584 -0.175 0.000 1.176 204 A CA 1.607 53.315 52.037 -0.549 0.000 0.628 204 A CB -0.441 18.429 19.000 -0.216 0.000 0.816 204 A HN 0.232 nan 8.150 nan 0.000 0.444 205 V N -0.358 119.497 119.914 -0.099 0.000 2.358 205 V HA -0.204 3.915 4.120 -0.002 0.000 0.246 205 V C 2.552 178.646 176.094 0.001 0.000 1.047 205 V CA 1.932 64.210 62.300 -0.036 0.000 1.035 205 V CB -0.732 31.069 31.823 -0.038 0.000 0.658 205 V HN 0.361 nan 8.190 nan 0.000 0.452 206 V N -0.487 119.423 119.914 -0.007 0.000 2.358 206 V HA -0.245 3.873 4.120 -0.002 0.000 0.246 206 V C 2.159 178.296 176.094 0.071 0.000 1.047 206 V CA 2.334 64.660 62.300 0.044 0.000 1.035 206 V CB -0.758 31.088 31.823 0.039 0.000 0.658 206 V HN 0.559 nan 8.190 nan 0.000 0.452 207 F N 2.172 122.038 119.950 -0.140 0.000 2.069 207 F HA -0.116 4.410 4.527 -0.002 0.000 0.298 207 F C 2.228 178.003 175.800 -0.043 0.000 1.113 207 F CA 2.009 59.934 58.000 -0.125 0.000 1.214 207 F CB -0.910 37.901 39.000 -0.316 0.000 0.978 207 F HN 0.145 nan 8.300 nan 0.000 0.474 208 G N -1.215 107.596 108.800 0.019 0.000 2.432 208 G HA2 -0.298 3.661 3.960 -0.002 0.000 0.219 208 G HA3 -0.298 3.661 3.960 -0.002 0.000 0.219 208 G C 1.762 176.654 174.900 -0.015 0.000 1.135 208 G CA 0.978 46.066 45.100 -0.020 0.000 0.767 208 G HN 0.597 nan 8.290 nan 0.000 0.550 209 H N 0.529 119.554 119.070 -0.075 0.000 2.395 209 H HA 0.055 4.610 4.556 -0.002 0.000 0.299 209 H C 2.304 177.581 175.328 -0.084 0.000 1.070 209 H CA 1.394 57.405 56.048 -0.062 0.000 1.356 209 H CB 0.278 30.012 29.762 -0.047 0.000 1.401 209 H HN 0.464 nan 8.280 nan 0.000 0.524 210 E N 0.021 120.124 120.200 -0.161 0.000 2.107 210 E HA -0.126 4.223 4.350 -0.002 0.000 0.191 210 E C 2.401 178.867 176.600 -0.223 0.000 0.982 210 E CA 0.439 56.713 56.400 -0.209 0.000 0.809 210 E CB 0.222 29.839 29.700 -0.139 0.000 0.756 210 E HN 0.448 nan 8.360 nan 0.000 0.459 211 Q N 0.484 120.118 119.800 -0.277 0.000 2.167 211 Q HA -0.165 4.174 4.340 -0.002 0.000 0.202 211 Q C 2.003 178.039 176.000 0.061 0.000 0.970 211 Q CA 1.185 56.878 55.803 -0.183 0.000 0.855 211 Q CB -0.100 28.417 28.738 -0.368 0.000 0.911 211 Q HN 0.523 nan 8.270 nan 0.000 0.438 212 Q N -0.458 119.345 119.800 0.005 0.000 2.444 212 Q HA -0.020 4.319 4.340 -0.002 0.000 0.206 212 Q C 1.293 177.195 176.000 -0.162 0.000 0.948 212 Q CA 0.203 56.001 55.803 -0.009 0.000 0.946 212 Q CB 0.180 28.926 28.738 0.013 0.000 1.027 212 Q HN 0.110 nan 8.270 nan 0.000 0.513 213 Q N 0.706 120.399 119.800 -0.179 0.000 2.167 213 Q HA -0.087 4.252 4.340 -0.002 0.000 0.202 213 Q C 2.132 178.009 176.000 -0.205 0.000 0.970 213 Q CA 1.166 56.845 55.803 -0.205 0.000 0.855 213 Q CB -0.309 28.311 28.738 -0.198 0.000 0.911 213 Q HN 0.373 nan 8.270 nan 0.000 0.438 214 V N 0.290 120.095 119.914 -0.181 0.000 2.515 214 V HA -0.175 3.943 4.120 -0.002 0.000 0.250 214 V C 2.119 177.924 176.094 -0.482 0.000 1.058 214 V CA 1.103 63.264 62.300 -0.232 0.000 1.064 214 V CB -0.140 31.651 31.823 -0.053 0.000 0.675 214 V HN 0.115 nan 8.190 nan 0.000 0.461 215 V N 0.167 119.803 119.914 -0.464 0.000 2.307 215 V HA -0.216 3.903 4.120 -0.002 0.000 0.245 215 V C 2.251 178.115 176.094 -0.384 0.000 1.045 215 V CA 2.431 64.437 62.300 -0.491 0.000 1.024 215 V CB -0.514 31.082 31.823 -0.377 0.000 0.651 215 V HN 0.501 nan 8.190 nan 0.000 0.449 216 I N -0.208 120.196 120.570 -0.278 0.000 2.226 216 I HA -0.312 3.857 4.170 -0.002 0.000 0.245 216 I C 2.668 178.653 176.117 -0.220 0.000 1.100 216 I CA 1.638 62.813 61.300 -0.207 0.000 1.374 216 I CB -0.421 37.477 38.000 -0.171 0.000 1.057 216 I HN 0.337 nan 8.210 nan 0.000 0.413 217 Q N 0.388 120.036 119.800 -0.254 0.000 2.124 217 Q HA -0.161 4.178 4.340 -0.002 0.000 0.202 217 Q C 2.029 177.870 176.000 -0.266 0.000 0.977 217 Q CA 1.291 56.958 55.803 -0.227 0.000 0.850 217 Q CB -0.130 28.482 28.738 -0.209 0.000 0.901 217 Q HN 0.499 nan 8.270 nan 0.000 0.429 218 N N 0.262 118.705 118.700 -0.429 0.000 2.270 218 N HA -0.055 4.684 4.740 -0.002 0.000 0.181 218 N C 1.749 177.097 175.510 -0.270 0.000 1.016 218 N CA 0.879 53.651 53.050 -0.463 0.000 0.870 218 N CB 0.103 37.960 38.487 -1.049 0.000 0.979 218 N HN 0.262 nan 8.380 nan 0.000 0.431 219 I N 1.425 121.854 120.570 -0.235 0.000 2.252 219 I HA -0.214 3.954 4.170 -0.002 0.000 0.245 219 I C 1.852 177.912 176.117 -0.096 0.000 1.102 219 I CA 0.743 61.971 61.300 -0.121 0.000 1.385 219 I CB -0.240 37.704 38.000 -0.093 0.000 1.064 219 I HN 0.034 nan 8.210 nan 0.000 0.414 220 N N 0.701 119.333 118.700 -0.114 0.000 2.149 220 N HA -0.184 4.555 4.740 -0.002 0.000 0.188 220 N C 1.767 177.232 175.510 -0.075 0.000 1.019 220 N CA 1.239 54.236 53.050 -0.090 0.000 0.857 220 N CB -0.206 38.222 38.487 -0.099 0.000 0.997 220 N HN 0.344 nan 8.380 nan 0.000 0.426 221 E N 0.478 120.625 120.200 -0.089 0.000 2.152 221 E HA -0.067 4.282 4.350 -0.002 0.000 0.192 221 E C 1.985 178.559 176.600 -0.043 0.000 0.983 221 E CA 0.159 56.520 56.400 -0.066 0.000 0.818 221 E CB -0.251 29.404 29.700 -0.076 0.000 0.758 221 E HN 0.243 nan 8.360 nan 0.000 0.467 222 L N 0.359 121.556 121.223 -0.045 0.000 2.109 222 L HA -0.080 4.259 4.340 -0.002 0.000 0.207 222 L C 2.162 179.022 176.870 -0.016 0.000 1.086 222 L CA 0.964 55.793 54.840 -0.020 0.000 0.760 222 L CB -0.163 41.890 42.059 -0.010 0.000 0.910 222 L HN -0.126 nan 8.230 nan 0.000 0.437 223 V N -0.371 119.527 119.914 -0.026 0.000 2.427 223 V HA -0.248 3.871 4.120 -0.002 0.000 0.248 223 V C 2.488 178.573 176.094 -0.015 0.000 1.051 223 V CA 1.672 63.960 62.300 -0.021 0.000 1.048 223 V CB -0.616 31.191 31.823 -0.028 0.000 0.666 223 V HN 0.428 nan 8.190 nan 0.000 0.456 224 K N -0.386 120.002 120.400 -0.020 0.000 2.283 224 K HA -0.149 4.170 4.320 -0.002 0.000 0.202 224 K C 2.003 178.599 176.600 -0.006 0.000 1.048 224 K CA 1.218 57.496 56.287 -0.014 0.000 0.948 224 K CB -0.003 32.484 32.500 -0.021 0.000 0.742 224 K HN 0.596 nan 8.250 nan 0.000 0.458 225 E N -0.365 119.832 120.200 -0.005 0.000 2.099 225 E HA -0.000 4.349 4.350 -0.002 0.000 0.191 225 E C 1.355 177.959 176.600 0.008 0.000 0.962 225 E CA 0.714 57.115 56.400 0.002 0.000 0.826 225 E CB 0.304 30.006 29.700 0.003 0.000 0.788 225 E HN 0.209 nan 8.360 nan 0.000 0.461 226 A N 0.948 123.773 122.820 0.008 0.000 2.508 226 A HA 0.326 4.644 4.320 -0.002 0.000 0.250 226 A C 0.982 178.575 177.584 0.015 0.000 1.208 226 A CA 0.148 52.194 52.037 0.014 0.000 0.960 226 A CB 0.529 19.539 19.000 0.016 0.000 1.099 226 A HN 0.166 nan 8.150 nan 0.000 0.542 227 G N 0.754 109.560 108.800 0.010 0.000 2.380 227 G HA2 0.359 4.317 3.960 -0.002 0.000 0.242 227 G HA3 0.359 4.317 3.960 -0.002 0.000 0.242 227 G C -0.073 174.843 174.900 0.027 0.000 1.298 227 G CA -0.176 44.930 45.100 0.011 0.000 0.878 227 G HN 0.413 nan 8.290 nan 0.000 0.542 228 K N 2.735 123.158 120.400 0.038 0.000 2.202 228 K HA 0.209 4.528 4.320 -0.002 0.000 0.264 228 K C -1.989 174.661 176.600 0.083 0.000 1.010 228 K CA -1.237 55.090 56.287 0.067 0.000 0.940 228 K CB 0.926 33.482 32.500 0.094 0.000 0.983 228 K HN 0.345 nan 8.250 nan 0.000 0.475 229 P HA -0.019 nan 4.420 nan 0.000 0.268 229 P C -0.832 176.569 177.300 0.169 0.000 1.204 229 P CA 0.053 63.217 63.100 0.107 0.000 0.768 229 P CB 0.461 32.218 31.700 0.095 0.000 0.842 230 R N 2.487 123.068 120.500 0.135 0.000 2.484 230 R HA 0.033 4.372 4.340 -0.002 0.000 0.293 230 R C 0.228 176.706 176.300 0.297 0.000 1.023 230 R CA 0.007 56.202 56.100 0.159 0.000 1.037 230 R CB -0.379 29.972 30.300 0.086 0.000 0.951 230 R HN 0.497 nan 8.270 nan 0.000 0.418 231 W N 1.710 123.048 121.300 0.065 0.000 2.314 231 W HA -0.105 4.553 4.660 -0.002 0.000 0.339 231 W C 0.869 177.479 176.519 0.152 0.000 1.293 231 W CA -0.025 57.389 57.345 0.115 0.000 1.288 231 W CB -0.121 29.427 29.460 0.147 0.000 1.186 231 W HN 0.465 nan 8.180 nan 0.000 0.566 232 D N 3.308 123.893 120.400 0.308 0.000 2.508 232 D HA 0.047 4.685 4.640 -0.002 0.000 0.224 232 D C -1.052 175.435 176.300 0.310 0.000 1.171 232 D CA -0.141 53.997 54.000 0.229 0.000 1.006 232 D CB -0.503 40.364 40.800 0.112 0.000 1.073 232 D HN 0.290 nan 8.370 nan 0.000 0.513 233 W N 3.699 125.114 121.300 0.190 0.000 2.656 233 W HA 0.410 5.069 4.660 -0.002 0.000 0.327 233 W C -1.237 175.369 176.519 0.144 0.000 1.041 233 W CA -0.655 56.819 57.345 0.214 0.000 1.229 233 W CB 1.212 30.887 29.460 0.359 0.000 1.397 233 W HN 0.033 nan 8.180 nan 0.000 0.479 234 Q N 6.598 125.914 119.800 -0.807 0.000 2.365 234 Q HA 0.415 4.754 4.340 -0.002 0.000 0.269 234 Q C -2.251 172.908 176.000 -1.402 0.000 1.061 234 Q CA -2.155 53.149 55.803 -0.832 0.000 0.816 234 Q CB 1.735 30.244 28.738 -0.382 0.000 1.325 234 Q HN 0.365 nan 8.270 nan 0.000 0.446 235 P HA 0.027 nan 4.420 nan 0.000 0.269 235 P C -0.333 176.778 177.300 -0.314 0.000 1.215 235 P CA -0.185 62.575 63.100 -0.567 0.000 0.780 235 P CB 0.773 32.363 31.700 -0.183 0.000 0.898 236 E N 2.741 122.843 120.200 -0.163 0.000 2.480 236 E HA 0.072 4.421 4.350 -0.002 0.000 0.258 236 E C -1.572 174.986 176.600 -0.070 0.000 0.984 236 E CA -1.027 55.316 56.400 -0.095 0.000 0.930 236 E CB -0.687 28.995 29.700 -0.030 0.000 0.936 236 E HN 0.393 nan 8.360 nan 0.000 0.466 237 P HA 0.006 nan 4.420 nan 0.000 0.266 237 P C -0.136 177.148 177.300 -0.026 0.000 1.195 237 P CA -0.203 62.867 63.100 -0.050 0.000 0.768 237 P CB 0.491 32.163 31.700 -0.047 0.000 0.838 238 V N 3.813 123.716 119.914 -0.018 0.000 2.458 238 V HA -0.052 4.066 4.120 -0.002 0.000 0.287 238 V C 1.182 177.274 176.094 -0.004 0.000 1.009 238 V CA 0.302 62.599 62.300 -0.005 0.000 1.091 238 V CB -0.659 31.163 31.823 -0.002 0.000 0.960 238 V HN 0.585 nan 8.190 nan 0.000 0.476 239 N N 4.506 123.206 118.700 0.001 0.000 2.645 239 N HA 0.144 4.883 4.740 -0.002 0.000 0.233 239 N C 1.032 176.545 175.510 0.004 0.000 1.058 239 N CA -0.103 52.948 53.050 0.002 0.000 0.942 239 N CB 0.747 39.236 38.487 0.004 0.000 1.210 239 N HN 0.672 nan 8.380 nan 0.000 0.512 240 E N 1.518 121.719 120.200 0.002 0.000 2.153 240 E HA -0.159 4.190 4.350 -0.002 0.000 0.194 240 E C 1.344 177.947 176.600 0.004 0.000 0.988 240 E CA 1.160 57.562 56.400 0.003 0.000 0.811 240 E CB 0.198 29.898 29.700 0.001 0.000 0.746 240 E HN 0.700 nan 8.360 nan 0.000 0.466 241 A N 0.834 123.656 122.820 0.004 0.000 1.897 241 A HA -0.134 4.185 4.320 -0.002 0.000 0.215 241 A C 2.083 179.671 177.584 0.007 0.000 1.181 241 A CA 0.801 52.841 52.037 0.005 0.000 0.620 241 A CB -0.387 18.615 19.000 0.003 0.000 0.821 241 A HN 0.215 nan 8.150 nan 0.000 0.443 242 L N 0.324 121.552 121.223 0.008 0.000 2.141 242 L HA -0.104 4.234 4.340 -0.002 0.000 0.209 242 L C 1.795 178.673 176.870 0.014 0.000 1.094 242 L CA 1.766 56.613 54.840 0.012 0.000 0.763 242 L CB -0.706 41.360 42.059 0.013 0.000 0.908 242 L HN 0.303 nan 8.230 nan 0.000 0.437 243 N N 0.256 118.964 118.700 0.013 0.000 2.069 243 N HA -0.159 4.580 4.740 -0.002 0.000 0.191 243 N C 1.862 177.380 175.510 0.012 0.000 1.031 243 N CA 1.663 54.721 53.050 0.014 0.000 0.852 243 N CB -0.565 37.929 38.487 0.012 0.000 1.018 243 N HN 0.483 nan 8.380 nan 0.000 0.423 244 A N 1.166 123.992 122.820 0.009 0.000 1.933 244 A HA -0.090 4.229 4.320 -0.002 0.000 0.218 244 A C 2.246 179.836 177.584 0.010 0.000 1.175 244 A CA 1.173 53.215 52.037 0.008 0.000 0.628 244 A CB -0.360 18.643 19.000 0.006 0.000 0.814 244 A HN 0.233 nan 8.150 nan 0.000 0.444 245 R N -0.837 119.670 120.500 0.011 0.000 2.092 245 R HA -0.036 4.302 4.340 -0.002 0.000 0.231 245 R C 1.965 178.274 176.300 0.015 0.000 1.119 245 R CA 1.336 57.443 56.100 0.012 0.000 0.970 245 R CB -0.353 29.954 30.300 0.012 0.000 0.864 245 R HN 0.403 nan 8.270 nan 0.000 0.440 246 V N 0.640 120.565 119.914 0.017 0.000 2.379 246 V HA -0.141 3.977 4.120 -0.002 0.000 0.245 246 V C 2.330 178.436 176.094 0.020 0.000 1.044 246 V CA 1.829 64.142 62.300 0.021 0.000 1.036 246 V CB -0.497 31.342 31.823 0.026 0.000 0.664 246 V HN 0.363 nan 8.190 nan 0.000 0.453 247 A N 0.083 122.913 122.820 0.016 0.000 1.969 247 A HA -0.023 4.296 4.320 -0.002 0.000 0.218 247 A C 2.354 179.946 177.584 0.013 0.000 1.169 247 A CA 1.753 53.797 52.037 0.013 0.000 0.635 247 A CB -0.574 18.431 19.000 0.009 0.000 0.810 247 A HN 0.547 nan 8.150 nan 0.000 0.445 248 A N -0.742 122.085 122.820 0.012 0.000 2.015 248 A HA 0.135 4.453 4.320 -0.002 0.000 0.219 248 A C 1.983 179.575 177.584 0.013 0.000 1.163 248 A CA 1.291 53.334 52.037 0.011 0.000 0.646 248 A CB -0.328 18.678 19.000 0.010 0.000 0.806 248 A HN 0.460 nan 8.150 nan 0.000 0.448 249 L N -2.467 118.765 121.223 0.016 0.000 2.463 249 L HA 0.225 4.564 4.340 -0.002 0.000 0.219 249 L C 2.348 179.231 176.870 0.021 0.000 1.088 249 L CA 0.757 55.608 54.840 0.018 0.000 0.849 249 L CB 0.166 42.236 42.059 0.018 0.000 1.012 249 L HN 0.382 nan 8.230 nan 0.000 0.468 250 A N -1.169 121.665 122.820 0.023 0.000 2.066 250 A HA 0.029 4.347 4.320 -0.002 0.000 0.198 250 A C 1.947 179.551 177.584 0.032 0.000 1.405 250 A CA 0.026 52.081 52.037 0.030 0.000 0.973 250 A CB 0.061 19.082 19.000 0.035 0.000 1.026 250 A HN 0.190 nan 8.150 nan 0.000 0.474 251 E N 0.680 120.895 120.200 0.024 0.000 2.058 251 E HA -0.191 4.157 4.350 -0.002 0.000 0.194 251 E C 2.054 178.669 176.600 0.026 0.000 0.997 251 E CA 1.386 57.798 56.400 0.021 0.000 0.801 251 E CB -0.179 29.527 29.700 0.010 0.000 0.746 251 E HN 0.534 nan 8.360 nan 0.000 0.450 252 A N 0.925 123.758 122.820 0.022 0.000 1.933 252 A HA -0.163 4.156 4.320 -0.002 0.000 0.218 252 A C 2.117 179.718 177.584 0.028 0.000 1.175 252 A CA 1.382 53.432 52.037 0.022 0.000 0.628 252 A CB -0.360 18.650 19.000 0.016 0.000 0.814 252 A HN 0.175 nan 8.150 nan 0.000 0.444 253 R N -0.768 119.750 120.500 0.030 0.000 2.073 253 R HA 0.104 4.443 4.340 -0.002 0.000 0.229 253 R C 1.966 178.294 176.300 0.047 0.000 1.120 253 R CA 1.167 57.285 56.100 0.031 0.000 0.967 253 R CB -0.426 29.890 30.300 0.026 0.000 0.862 253 R HN 0.463 nan 8.270 nan 0.000 0.436 254 L N 0.412 121.676 121.223 0.069 0.000 2.201 254 L HA -0.131 4.207 4.340 -0.002 0.000 0.212 254 L C 2.235 179.218 176.870 0.188 0.000 1.105 254 L CA 0.953 55.874 54.840 0.135 0.000 0.775 254 L CB -0.222 41.924 42.059 0.144 0.000 0.913 254 L HN 0.145 nan 8.230 nan 0.000 0.440 255 S N -0.431 115.331 115.700 0.105 0.000 2.368 255 S HA -0.172 4.297 4.470 -0.002 0.000 0.225 255 S C 1.478 176.132 174.600 0.089 0.000 1.030 255 S CA 1.289 59.542 58.200 0.089 0.000 0.999 255 S CB -0.185 63.041 63.200 0.043 0.000 0.844 255 S HN 0.442 nan 8.310 nan 0.000 0.459 256 D N 1.397 121.834 120.400 0.060 0.000 2.194 256 D HA 0.143 4.782 4.640 -0.002 0.000 0.204 256 D C 2.050 178.363 176.300 0.022 0.000 0.964 256 D CA 0.879 54.902 54.000 0.037 0.000 0.846 256 D CB -0.341 40.472 40.800 0.022 0.000 0.962 256 D HN 0.361 nan 8.370 nan 0.000 0.490 257 A N -0.068 122.758 122.820 0.011 0.000 1.930 257 A HA -0.171 4.147 4.320 -0.002 0.000 0.217 257 A C 1.392 178.866 177.584 -0.185 0.000 1.175 257 A CA 0.913 52.894 52.037 -0.093 0.000 0.627 257 A CB -0.791 18.127 19.000 -0.136 0.000 0.815 257 A HN 0.248 nan 8.150 nan 0.000 0.443 258 Y N -0.677 119.608 120.300 -0.025 0.000 2.470 258 Y HA 0.195 4.743 4.550 -0.002 0.000 0.302 258 Y C 2.012 177.903 175.900 -0.014 0.000 1.194 258 Y CA 0.266 58.348 58.100 -0.029 0.000 1.271 258 Y CB 0.097 38.534 38.460 -0.039 0.000 1.092 258 Y HN 0.227 nan 8.280 nan 0.000 0.513 259 R N -0.541 120.004 120.500 0.074 0.000 2.404 259 R HA 0.258 4.597 4.340 -0.002 0.000 0.237 259 R C -0.101 176.212 176.300 0.021 0.000 0.907 259 R CA -0.062 56.067 56.100 0.049 0.000 1.063 259 R CB 0.514 30.838 30.300 0.040 0.000 1.134 259 R HN 0.204 nan 8.270 nan 0.000 0.529 260 I N 1.930 122.496 120.570 -0.007 0.000 2.517 260 I HA -0.070 4.099 4.170 -0.002 0.000 0.285 260 I C 1.850 177.967 176.117 0.000 0.000 1.106 260 I CA 0.151 61.443 61.300 -0.013 0.000 1.402 260 I CB 1.573 39.551 38.000 -0.037 0.000 1.399 260 I HN 0.159 nan 8.210 nan 0.000 0.535 261 T N 0.662 115.227 114.554 0.017 0.000 2.894 261 T HA -0.091 4.258 4.350 -0.002 0.000 0.258 261 T C 0.695 175.421 174.700 0.043 0.000 1.043 261 T CA 0.125 62.245 62.100 0.032 0.000 1.141 261 T CB -0.243 68.641 68.868 0.028 0.000 0.873 261 T HN 0.567 nan 8.240 nan 0.000 0.449 262 D N 1.370 121.792 120.400 0.037 0.000 2.450 262 D HA 0.121 4.760 4.640 -0.002 0.000 0.247 262 D C 1.227 177.574 176.300 0.079 0.000 1.162 262 D CA -0.016 54.012 54.000 0.046 0.000 0.879 262 D CB 0.925 41.743 40.800 0.031 0.000 1.163 262 D HN 0.269 nan 8.370 nan 0.000 0.472 263 K N 2.680 123.143 120.400 0.104 0.000 2.026 263 K HA -0.240 4.079 4.320 -0.002 0.000 0.208 263 K C 1.591 178.311 176.600 0.200 0.000 1.048 263 K CA 1.380 57.786 56.287 0.198 0.000 0.929 263 K CB 0.093 32.674 32.500 0.135 0.000 0.713 263 K HN 0.609 nan 8.250 nan 0.000 0.439 264 Q N 0.234 120.069 119.800 0.059 0.000 2.084 264 Q HA -0.197 4.141 4.340 -0.002 0.000 0.202 264 Q C 2.105 178.150 176.000 0.075 0.000 0.978 264 Q CA 1.661 57.477 55.803 0.021 0.000 0.844 264 Q CB -0.056 28.679 28.738 -0.006 0.000 0.898 264 Q HN 0.429 nan 8.270 nan 0.000 0.426 265 E N 0.757 120.995 120.200 0.064 0.000 2.110 265 E HA -0.232 4.116 4.350 -0.002 0.000 0.193 265 E C 2.085 178.716 176.600 0.052 0.000 0.988 265 E CA 0.946 57.373 56.400 0.046 0.000 0.804 265 E CB 0.086 29.802 29.700 0.026 0.000 0.745 265 E HN 0.171 nan 8.360 nan 0.000 0.458 266 R N -0.813 119.734 120.500 0.077 0.000 2.100 266 R HA -0.097 4.242 4.340 -0.002 0.000 0.220 266 R C 1.925 178.161 176.300 -0.107 0.000 1.091 266 R CA 0.934 57.005 56.100 -0.047 0.000 0.986 266 R CB -0.296 29.943 30.300 -0.101 0.000 0.888 266 R HN 0.188 nan 8.270 nan 0.000 0.444 267 Y N 0.813 121.055 120.300 -0.097 0.000 2.049 267 Y HA -0.193 4.355 4.550 -0.002 0.000 0.277 267 Y C 2.678 178.553 175.900 -0.042 0.000 1.143 267 Y CA 1.277 59.342 58.100 -0.058 0.000 1.115 267 Y CB -0.562 37.892 38.460 -0.009 0.000 0.975 267 Y HN 0.236 nan 8.280 nan 0.000 0.487 268 A N -0.215 122.702 122.820 0.161 0.000 2.009 268 A HA -0.374 3.945 4.320 -0.002 0.000 0.222 268 A C 2.069 179.677 177.584 0.040 0.000 1.175 268 A CA 2.413 54.498 52.037 0.080 0.000 0.651 268 A CB -0.771 18.262 19.000 0.055 0.000 0.815 268 A HN 0.537 nan 8.150 nan 0.000 0.459 269 Q N -0.745 119.063 119.800 0.012 0.000 2.123 269 Q HA 0.022 4.360 4.340 -0.002 0.000 0.196 269 Q C 1.834 177.816 176.000 -0.029 0.000 0.958 269 Q CA 1.612 57.406 55.803 -0.015 0.000 0.841 269 Q CB -0.455 28.261 28.738 -0.037 0.000 0.915 269 Q HN 0.303 nan 8.270 nan 0.000 0.455 270 V N 1.354 121.225 119.914 -0.071 0.000 2.392 270 V HA -0.240 3.878 4.120 -0.002 0.000 0.249 270 V C 1.865 177.963 176.094 0.007 0.000 1.059 270 V CA 2.178 64.437 62.300 -0.069 0.000 1.051 270 V CB -0.640 31.076 31.823 -0.179 0.000 0.658 270 V HN 0.471 nan 8.190 nan 0.000 0.455 271 D N -0.345 120.074 120.400 0.032 0.000 2.144 271 D HA -0.124 4.515 4.640 -0.002 0.000 0.200 271 D C 2.018 178.341 176.300 0.038 0.000 0.978 271 D CA 1.104 55.134 54.000 0.050 0.000 0.833 271 D CB 0.001 40.842 40.800 0.068 0.000 0.961 271 D HN 0.216 nan 8.370 nan 0.000 0.470 272 V N 0.500 120.431 119.914 0.028 0.000 2.343 272 V HA -0.212 3.907 4.120 -0.002 0.000 0.247 272 V C 2.498 178.606 176.094 0.023 0.000 1.051 272 V CA 1.319 63.633 62.300 0.023 0.000 1.036 272 V CB -0.390 31.443 31.823 0.017 0.000 0.654 272 V HN 0.289 nan 8.190 nan 0.000 0.451 273 I N -0.456 120.127 120.570 0.022 0.000 2.179 273 I HA -0.266 3.903 4.170 -0.002 0.000 0.242 273 I C 2.553 178.690 176.117 0.034 0.000 1.088 273 I CA 1.722 63.038 61.300 0.026 0.000 1.357 273 I CB -0.429 37.587 38.000 0.028 0.000 1.051 273 I HN 0.236 nan 8.210 nan 0.000 0.409 274 K N 0.325 120.750 120.400 0.041 0.000 2.057 274 K HA -0.109 4.210 4.320 -0.002 0.000 0.207 274 K C 2.338 178.962 176.600 0.040 0.000 1.049 274 K CA 1.644 57.959 56.287 0.048 0.000 0.931 274 K CB -0.154 32.381 32.500 0.059 0.000 0.714 274 K HN 0.194 nan 8.250 nan 0.000 0.440 275 S N 1.284 117.005 115.700 0.036 0.000 2.348 275 S HA -0.151 4.318 4.470 -0.002 0.000 0.221 275 S C 1.805 176.421 174.600 0.027 0.000 1.033 275 S CA 1.295 59.513 58.200 0.031 0.000 1.010 275 S CB -0.171 63.047 63.200 0.029 0.000 0.891 275 S HN 0.327 nan 8.310 nan 0.000 0.442 276 E N 0.446 120.661 120.200 0.025 0.000 2.106 276 E HA -0.094 4.255 4.350 -0.002 0.000 0.192 276 E C 2.131 178.744 176.600 0.022 0.000 0.984 276 E CA 1.403 57.815 56.400 0.021 0.000 0.806 276 E CB -0.223 29.489 29.700 0.019 0.000 0.750 276 E HN 0.425 nan 8.360 nan 0.000 0.458 277 T N 1.248 115.818 114.554 0.026 0.000 2.737 277 T HA -0.103 4.246 4.350 -0.002 0.000 0.265 277 T C 1.995 176.711 174.700 0.026 0.000 1.038 277 T CA 0.838 62.953 62.100 0.026 0.000 1.144 277 T CB -0.145 68.741 68.868 0.030 0.000 0.866 277 T HN 0.090 nan 8.240 nan 0.000 0.434 278 I N 1.410 121.997 120.570 0.028 0.000 2.179 278 I HA -0.157 4.011 4.170 -0.002 0.000 0.242 278 I C 2.920 179.051 176.117 0.023 0.000 1.088 278 I CA 1.137 62.454 61.300 0.027 0.000 1.357 278 I CB -0.457 37.562 38.000 0.031 0.000 1.051 278 I HN 0.183 nan 8.210 nan 0.000 0.409 279 A N 0.016 122.849 122.820 0.022 0.000 2.019 279 A HA -0.189 4.129 4.320 -0.002 0.000 0.219 279 A C 2.344 179.938 177.584 0.016 0.000 1.164 279 A CA 2.326 54.374 52.037 0.019 0.000 0.644 279 A CB -0.945 18.066 19.000 0.018 0.000 0.805 279 A HN 0.405 nan 8.150 nan 0.000 0.449 280 T N 0.033 114.597 114.554 0.017 0.000 2.851 280 T HA 0.021 4.370 4.350 -0.002 0.000 0.262 280 T C 1.750 176.458 174.700 0.015 0.000 1.043 280 T CA 1.235 63.344 62.100 0.015 0.000 1.140 280 T CB -0.268 68.609 68.868 0.015 0.000 0.872 280 T HN 0.362 nan 8.240 nan 0.000 0.446 281 L N 0.465 121.698 121.223 0.016 0.000 2.217 281 L HA 0.080 4.418 4.340 -0.002 0.000 0.211 281 L C 2.236 179.115 176.870 0.015 0.000 1.107 281 L CA 0.804 55.654 54.840 0.016 0.000 0.783 281 L CB -0.399 41.671 42.059 0.018 0.000 0.919 281 L HN 0.240 nan 8.230 nan 0.000 0.442 282 L N -0.766 120.466 121.223 0.016 0.000 2.217 282 L HA -0.078 4.261 4.340 -0.002 0.000 0.211 282 L C 2.694 179.572 176.870 0.012 0.000 1.107 282 L CA 0.697 55.546 54.840 0.014 0.000 0.783 282 L CB -0.528 41.540 42.059 0.015 0.000 0.919 282 L HN 0.208 nan 8.230 nan 0.000 0.442 283 A N -0.300 122.528 122.820 0.012 0.000 2.066 283 A HA -0.155 4.164 4.320 -0.002 0.000 0.218 283 A C 2.093 179.682 177.584 0.009 0.000 1.157 283 A CA 1.249 53.292 52.037 0.010 0.000 0.670 283 A CB -0.185 18.822 19.000 0.010 0.000 0.804 283 A HN 0.418 nan 8.150 nan 0.000 0.453 284 E N -1.259 118.947 120.200 0.010 0.000 2.216 284 E HA 0.010 4.358 4.350 -0.002 0.000 0.192 284 E C -0.533 176.072 176.600 0.009 0.000 0.973 284 E CA 0.504 56.909 56.400 0.009 0.000 0.851 284 E CB 0.408 30.114 29.700 0.009 0.000 0.804 284 E HN 0.400 nan 8.360 nan 0.000 0.477 285 D N -0.408 119.998 120.400 0.009 0.000 2.452 285 D HA 0.058 4.697 4.640 -0.002 0.000 0.226 285 D C -0.540 175.766 176.300 0.010 0.000 1.366 285 D CA -0.071 53.935 54.000 0.009 0.000 0.986 285 D CB 0.888 41.693 40.800 0.009 0.000 1.420 285 D HN -0.137 nan 8.370 nan 0.000 0.583 286 E N 0.601 120.806 120.200 0.009 0.000 2.482 286 E HA -0.033 4.315 4.350 -0.002 0.000 0.196 286 E C 1.436 178.042 176.600 0.010 0.000 1.047 286 E CA 0.814 57.219 56.400 0.010 0.000 0.869 286 E CB 0.410 30.115 29.700 0.009 0.000 0.836 286 E HN 0.536 nan 8.360 nan 0.000 0.520 287 T N -1.575 112.984 114.554 0.009 0.000 3.081 287 T HA 0.137 4.486 4.350 -0.002 0.000 0.250 287 T C 0.839 175.545 174.700 0.010 0.000 1.100 287 T CA -0.241 61.865 62.100 0.009 0.000 1.038 287 T CB -0.050 68.822 68.868 0.007 0.000 0.962 287 T HN -0.064 nan 8.240 nan 0.000 0.516 288 L N 2.455 123.685 121.223 0.012 0.000 2.485 288 L HA 0.238 4.576 4.340 -0.002 0.000 0.275 288 L C 0.443 177.323 176.870 0.016 0.000 1.207 288 L CA -0.351 54.497 54.840 0.014 0.000 0.855 288 L CB 0.135 42.203 42.059 0.015 0.000 1.114 288 L HN 0.155 nan 8.230 nan 0.000 0.485 289 D N 1.883 122.293 120.400 0.018 0.000 2.358 289 D HA -0.022 4.616 4.640 -0.002 0.000 0.258 289 D C 0.907 177.222 176.300 0.026 0.000 1.223 289 D CA 0.196 54.208 54.000 0.021 0.000 0.886 289 D CB 0.974 41.786 40.800 0.021 0.000 1.120 289 D HN 0.539 nan 8.370 nan 0.000 0.482 290 E N 2.935 123.151 120.200 0.026 0.000 2.106 290 E HA -0.214 4.135 4.350 -0.002 0.000 0.192 290 E C 1.040 177.662 176.600 0.036 0.000 0.984 290 E CA 0.729 57.147 56.400 0.030 0.000 0.806 290 E CB 0.207 29.924 29.700 0.028 0.000 0.750 290 E HN 0.403 nan 8.360 nan 0.000 0.458 291 N N 0.811 119.534 118.700 0.037 0.000 2.166 291 N HA -0.174 4.564 4.740 -0.002 0.000 0.186 291 N C 1.543 177.081 175.510 0.047 0.000 1.019 291 N CA 0.978 54.054 53.050 0.044 0.000 0.856 291 N CB -0.168 38.346 38.487 0.045 0.000 0.993 291 N HN 0.296 nan 8.380 nan 0.000 0.426 292 E N 0.402 120.627 120.200 0.042 0.000 2.106 292 E HA -0.062 4.287 4.350 -0.002 0.000 0.192 292 E C 1.855 178.483 176.600 0.047 0.000 0.984 292 E CA 0.440 56.866 56.400 0.043 0.000 0.806 292 E CB 0.052 29.772 29.700 0.034 0.000 0.750 292 E HN 0.295 nan 8.360 nan 0.000 0.458 293 L N -0.264 120.985 121.223 0.043 0.000 2.093 293 L HA -0.087 4.252 4.340 -0.002 0.000 0.208 293 L C 2.580 179.485 176.870 0.058 0.000 1.085 293 L CA 1.138 56.005 54.840 0.045 0.000 0.755 293 L CB -0.534 41.548 42.059 0.038 0.000 0.904 293 L HN 0.227 nan 8.230 nan 0.000 0.435 294 G N -0.419 108.417 108.800 0.060 0.000 2.432 294 G HA2 -0.216 3.743 3.960 -0.002 0.000 0.219 294 G HA3 -0.216 3.743 3.960 -0.002 0.000 0.219 294 G C 1.451 176.410 174.900 0.099 0.000 1.135 294 G CA 0.470 45.614 45.100 0.073 0.000 0.767 294 G HN 0.398 nan 8.290 nan 0.000 0.550 295 E N -0.213 120.041 120.200 0.089 0.000 2.152 295 E HA 0.035 4.383 4.350 -0.002 0.000 0.192 295 E C 2.419 179.093 176.600 0.123 0.000 0.983 295 E CA 0.302 56.769 56.400 0.112 0.000 0.818 295 E CB -0.037 29.715 29.700 0.088 0.000 0.758 295 E HN 0.502 nan 8.360 nan 0.000 0.467 296 I N 0.606 121.228 120.570 0.088 0.000 2.286 296 I HA -0.232 3.937 4.170 -0.002 0.000 0.245 296 I C 2.151 178.309 176.117 0.068 0.000 1.104 296 I CA 0.797 62.137 61.300 0.068 0.000 1.397 296 I CB -0.119 37.909 38.000 0.048 0.000 1.072 296 I HN 0.081 nan 8.210 nan 0.000 0.417 297 L N 0.035 121.307 121.223 0.081 0.000 2.046 297 L HA -0.269 4.069 4.340 -0.002 0.000 0.208 297 L C 2.720 179.647 176.870 0.095 0.000 1.077 297 L CA 1.593 56.481 54.840 0.081 0.000 0.747 297 L CB -0.744 41.368 42.059 0.088 0.000 0.896 297 L HN 0.320 nan 8.230 nan 0.000 0.432 298 H N -0.321 118.773 119.070 0.039 0.000 2.423 298 H HA -0.069 4.486 4.556 -0.002 0.000 0.297 298 H C 2.091 177.429 175.328 0.018 0.000 1.075 298 H CA 1.205 57.275 56.048 0.037 0.000 1.342 298 H CB 0.174 29.964 29.762 0.047 0.000 1.395 298 H HN 0.286 nan 8.280 nan 0.000 0.530 299 A N 0.259 123.095 122.820 0.027 0.000 1.969 299 A HA -0.054 4.265 4.320 -0.002 0.000 0.218 299 A C 2.374 179.911 177.584 -0.078 0.000 1.169 299 A CA 1.353 53.374 52.037 -0.027 0.000 0.635 299 A CB -0.581 18.439 19.000 0.034 0.000 0.810 299 A HN 0.505 nan 8.150 nan 0.000 0.445 300 I N -0.566 119.969 120.570 -0.059 0.000 2.233 300 I HA -0.216 3.953 4.170 -0.002 0.000 0.243 300 I C 2.438 178.475 176.117 -0.133 0.000 1.093 300 I CA 1.330 62.591 61.300 -0.064 0.000 1.380 300 I CB -0.488 37.501 38.000 -0.018 0.000 1.067 300 I HN 0.382 nan 8.210 nan 0.000 0.413 301 E N 1.033 121.131 120.200 -0.171 0.000 2.065 301 E HA -0.332 4.017 4.350 -0.002 0.000 0.201 301 E C 2.157 178.494 176.600 -0.440 0.000 1.016 301 E CA 1.639 57.839 56.400 -0.335 0.000 0.818 301 E CB -0.194 29.345 29.700 -0.269 0.000 0.749 301 E HN 0.345 nan 8.360 nan 0.000 0.453 302 K N 0.706 120.878 120.400 -0.380 0.000 2.032 302 K HA -0.229 4.090 4.320 -0.002 0.000 0.209 302 K C 2.047 178.526 176.600 -0.202 0.000 1.048 302 K CA 1.668 57.777 56.287 -0.297 0.000 0.927 302 K CB -0.080 32.261 32.500 -0.264 0.000 0.712 302 K HN -0.049 nan 8.250 nan 0.000 0.441 303 N N -0.073 118.530 118.700 -0.161 0.000 2.188 303 N HA -0.123 4.615 4.740 -0.002 0.000 0.184 303 N C 1.518 176.957 175.510 -0.117 0.000 1.018 303 N CA 1.031 54.016 53.050 -0.108 0.000 0.858 303 N CB 0.072 38.514 38.487 -0.074 0.000 0.989 303 N HN -0.016 nan 8.380 nan 0.000 0.426 304 V N -0.395 119.424 119.914 -0.159 0.000 2.295 304 V HA -0.177 3.941 4.120 -0.002 0.000 0.246 304 V C 2.200 178.198 176.094 -0.161 0.000 1.049 304 V CA 1.398 63.610 62.300 -0.147 0.000 1.024 304 V CB -0.426 31.300 31.823 -0.160 0.000 0.648 304 V HN 0.180 nan 8.190 nan 0.000 0.447 305 V N -0.356 119.406 119.914 -0.253 0.000 2.323 305 V HA -0.194 3.925 4.120 -0.002 0.000 0.244 305 V C 2.543 178.571 176.094 -0.110 0.000 1.041 305 V CA 1.893 64.073 62.300 -0.200 0.000 1.025 305 V CB -0.740 30.913 31.823 -0.283 0.000 0.656 305 V HN 0.438 nan 8.190 nan 0.000 0.451 306 R N 0.934 121.370 120.500 -0.106 0.000 2.081 306 R HA -0.141 4.197 4.340 -0.002 0.000 0.235 306 R C 2.576 178.849 176.300 -0.046 0.000 1.131 306 R CA 1.812 57.875 56.100 -0.062 0.000 0.960 306 R CB -0.551 29.716 30.300 -0.055 0.000 0.856 306 R HN 0.687 nan 8.270 nan 0.000 0.436 307 S N 0.360 116.029 115.700 -0.051 0.000 2.428 307 S HA -0.060 4.409 4.470 -0.002 0.000 0.230 307 S C 1.889 176.470 174.600 -0.033 0.000 1.014 307 S CA 0.539 58.717 58.200 -0.038 0.000 0.957 307 S CB -0.078 63.100 63.200 -0.037 0.000 0.784 307 S HN 0.245 nan 8.310 nan 0.000 0.499 308 R N 0.475 120.953 120.500 -0.037 0.000 2.115 308 R HA 0.106 4.445 4.340 -0.002 0.000 0.226 308 R C 2.132 178.419 176.300 -0.022 0.000 1.100 308 R CA 1.095 57.180 56.100 -0.026 0.000 0.980 308 R CB -0.490 29.797 30.300 -0.022 0.000 0.875 308 R HN 0.342 nan 8.270 nan 0.000 0.445 309 V N 1.249 121.149 119.914 -0.025 0.000 2.307 309 V HA -0.207 3.912 4.120 -0.002 0.000 0.245 309 V C 2.151 178.231 176.094 -0.024 0.000 1.045 309 V CA 1.574 63.862 62.300 -0.020 0.000 1.024 309 V CB -0.284 31.530 31.823 -0.016 0.000 0.651 309 V HN 0.270 nan 8.190 nan 0.000 0.449 310 L N 0.121 121.329 121.223 -0.025 0.000 2.217 310 L HA -0.028 4.310 4.340 -0.002 0.000 0.211 310 L C 2.466 179.315 176.870 -0.034 0.000 1.107 310 L CA 1.232 56.054 54.840 -0.030 0.000 0.783 310 L CB -0.585 41.460 42.059 -0.023 0.000 0.919 310 L HN 0.329 nan 8.230 nan 0.000 0.442 311 A N -0.467 122.335 122.820 -0.029 0.000 2.206 311 A HA 0.230 4.549 4.320 -0.002 0.000 0.211 311 A C 1.828 179.395 177.584 -0.027 0.000 1.158 311 A CA 0.819 52.840 52.037 -0.027 0.000 0.761 311 A CB -0.485 18.502 19.000 -0.022 0.000 0.801 311 A HN 0.504 nan 8.150 nan 0.000 0.473 312 G N -0.722 108.060 108.800 -0.029 0.000 2.143 312 G HA2 -0.243 3.716 3.960 -0.002 0.000 0.249 312 G HA3 -0.243 3.716 3.960 -0.002 0.000 0.249 312 G C -0.048 174.840 174.900 -0.020 0.000 0.981 312 G CA 0.406 45.489 45.100 -0.029 0.000 0.665 312 G HN 0.618 nan 8.290 nan 0.000 0.528 313 E N 0.829 121.020 120.200 -0.016 0.000 2.392 313 E HA 0.404 4.753 4.350 -0.002 0.000 0.259 313 E C -1.968 174.629 176.600 -0.006 0.000 1.108 313 E CA -1.542 54.852 56.400 -0.010 0.000 0.916 313 E CB 0.567 30.263 29.700 -0.007 0.000 0.989 313 E HN 0.168 nan 8.360 nan 0.000 0.432 314 P HA -0.008 nan 4.420 nan 0.000 0.266 314 P C -0.640 176.666 177.300 0.011 0.000 1.195 314 P CA 0.343 63.445 63.100 0.004 0.000 0.768 314 P CB 0.544 32.248 31.700 0.006 0.000 0.838 315 R N 1.654 122.162 120.500 0.013 0.000 2.840 315 R HA 0.161 4.500 4.340 -0.002 0.000 0.282 315 R C 1.831 178.154 176.300 0.039 0.000 1.133 315 R CA -0.395 55.719 56.100 0.023 0.000 1.208 315 R CB -0.181 30.132 30.300 0.022 0.000 1.160 315 R HN 0.408 nan 8.270 nan 0.000 0.576 316 I N 0.913 121.519 120.570 0.059 0.000 2.145 316 I HA -0.332 3.836 4.170 -0.002 0.000 0.244 316 I C 1.559 177.713 176.117 0.061 0.000 1.075 316 I CA 1.729 63.080 61.300 0.085 0.000 1.332 316 I CB -0.415 37.663 38.000 0.130 0.000 1.033 316 I HN 0.702 nan 8.210 nan 0.000 0.410 317 D N 0.120 120.551 120.400 0.052 0.000 2.328 317 D HA 0.086 4.725 4.640 -0.002 0.000 0.226 317 D C 1.488 177.805 176.300 0.029 0.000 1.066 317 D CA 0.721 54.745 54.000 0.041 0.000 0.861 317 D CB 0.153 40.978 40.800 0.043 0.000 0.912 317 D HN 0.438 nan 8.370 nan 0.000 0.521 318 G N 0.329 109.145 108.800 0.026 0.000 2.195 318 G HA2 -0.312 3.647 3.960 -0.002 0.000 0.246 318 G HA3 -0.312 3.647 3.960 -0.002 0.000 0.246 318 G C 0.454 175.361 174.900 0.012 0.000 0.984 318 G CA -0.088 45.022 45.100 0.018 0.000 0.633 318 G HN 0.444 nan 8.290 nan 0.000 0.525 319 R N 0.536 121.044 120.500 0.013 0.000 2.774 319 R HA 0.437 4.776 4.340 -0.002 0.000 0.269 319 R C 0.331 176.632 176.300 0.001 0.000 1.068 319 R CA -0.162 55.942 56.100 0.006 0.000 1.180 319 R CB 0.348 30.654 30.300 0.009 0.000 1.077 319 R HN 0.276 nan 8.270 nan 0.000 0.513 320 E N 1.295 121.491 120.200 -0.006 0.000 2.292 320 E HA 0.020 4.368 4.350 -0.002 0.000 0.258 320 E C 0.784 177.377 176.600 -0.012 0.000 1.115 320 E CA -0.233 56.161 56.400 -0.011 0.000 0.929 320 E CB 0.815 30.505 29.700 -0.017 0.000 1.161 320 E HN 0.488 nan 8.360 nan 0.000 0.453 321 K N 0.316 120.707 120.400 -0.015 0.000 2.211 321 K HA -0.168 4.151 4.320 -0.002 0.000 0.204 321 K C 0.405 176.997 176.600 -0.015 0.000 1.047 321 K CA 1.938 58.216 56.287 -0.014 0.000 0.935 321 K CB 0.004 32.492 32.500 -0.021 0.000 0.728 321 K HN 0.269 nan 8.250 nan 0.000 0.452 322 D N 0.013 120.401 120.400 -0.021 0.000 2.571 322 D HA 0.128 4.766 4.640 -0.002 0.000 0.239 322 D C -0.075 176.204 176.300 -0.035 0.000 1.267 322 D CA -0.289 53.696 54.000 -0.024 0.000 0.823 322 D CB -0.044 40.739 40.800 -0.027 0.000 1.056 322 D HN 0.157 nan 8.370 nan 0.000 0.494 323 M N 0.805 120.386 119.600 -0.030 0.000 2.277 323 M HA 0.319 4.797 4.480 -0.002 0.000 0.350 323 M C -0.312 175.973 176.300 -0.025 0.000 1.180 323 M CA -0.639 54.635 55.300 -0.043 0.000 1.103 323 M CB 1.911 34.492 32.600 -0.032 0.000 1.577 323 M HN -0.168 nan 8.290 nan 0.000 0.459 324 I N 2.355 122.900 120.570 -0.041 0.000 2.488 324 I HA 0.410 4.579 4.170 -0.002 0.000 0.299 324 I C 0.586 176.719 176.117 0.027 0.000 0.984 324 I CA -0.556 60.752 61.300 0.013 0.000 1.250 324 I CB 1.032 39.065 38.000 0.054 0.000 1.389 324 I HN 0.714 nan 8.210 nan 0.000 0.488 325 R N 1.949 122.476 120.500 0.046 0.000 2.801 325 R HA 0.319 4.657 4.340 -0.002 0.000 0.273 325 R C 0.562 176.886 176.300 0.040 0.000 1.080 325 R CA -0.241 55.880 56.100 0.036 0.000 1.197 325 R CB 0.218 30.538 30.300 0.033 0.000 1.109 325 R HN 0.867 nan 8.270 nan 0.000 0.535 326 G N 0.894 109.704 108.800 0.018 0.000 2.432 326 G HA2 0.256 4.215 3.960 -0.002 0.000 0.239 326 G HA3 0.256 4.215 3.960 -0.002 0.000 0.239 326 G C -0.484 174.392 174.900 -0.040 0.000 1.291 326 G CA -0.382 44.722 45.100 0.006 0.000 0.863 326 G HN 0.257 nan 8.290 nan 0.000 0.560 327 L N 1.676 122.870 121.223 -0.049 0.000 2.334 327 L HA 0.484 4.823 4.340 -0.002 0.000 0.276 327 L C -0.718 176.061 176.870 -0.153 0.000 1.014 327 L CA -0.930 53.820 54.840 -0.150 0.000 0.815 327 L CB 2.280 44.280 42.059 -0.099 0.000 1.268 327 L HN 0.406 nan 8.230 nan 0.000 0.428 328 D N 1.990 122.243 120.400 -0.245 0.000 2.788 328 D HA 0.485 5.123 4.640 -0.002 0.000 0.247 328 D C -1.440 174.761 176.300 -0.165 0.000 1.236 328 D CA -0.198 53.708 54.000 -0.157 0.000 0.898 328 D CB 2.341 43.072 40.800 -0.116 0.000 1.401 328 D HN 0.081 nan 8.370 nan 0.000 0.549 329 V N 4.813 124.697 119.914 -0.051 0.000 2.448 329 V HA 0.612 4.731 4.120 -0.002 0.000 0.295 329 V C 0.121 176.243 176.094 0.046 0.000 1.025 329 V CA -0.625 61.704 62.300 0.048 0.000 0.859 329 V CB 1.728 33.617 31.823 0.110 0.000 0.988 329 V HN 0.435 nan 8.190 nan 0.000 0.431 330 R N 2.021 122.561 120.500 0.067 0.000 2.744 330 R HA 0.806 5.145 4.340 -0.002 0.000 0.279 330 R C -1.008 175.325 176.300 0.055 0.000 0.977 330 R CA -0.596 55.532 56.100 0.047 0.000 0.906 330 R CB 2.580 32.898 30.300 0.030 0.000 1.197 330 R HN 0.686 nan 8.270 nan 0.000 0.463 331 T N 0.101 114.678 114.554 0.038 0.000 2.912 331 T HA 0.479 4.828 4.350 -0.002 0.000 0.299 331 T C -0.177 174.537 174.700 0.024 0.000 1.052 331 T CA 0.014 62.134 62.100 0.033 0.000 0.996 331 T CB 1.771 70.656 68.868 0.029 0.000 1.070 331 T HN 0.821 nan 8.240 nan 0.000 0.465 332 G N 1.748 110.561 108.800 0.023 0.000 2.324 332 G HA2 -0.189 3.770 3.960 -0.002 0.000 0.292 332 G HA3 -0.189 3.770 3.960 -0.002 0.000 0.292 332 G C 0.674 175.584 174.900 0.016 0.000 1.079 332 G CA 0.272 45.383 45.100 0.019 0.000 1.026 332 G HN 0.675 nan 8.290 nan 0.000 0.506 333 V N -0.380 119.545 119.914 0.017 0.000 2.878 333 V HA 0.237 4.356 4.120 -0.002 0.000 0.250 333 V C 1.537 177.636 176.094 0.008 0.000 1.075 333 V CA 1.429 63.737 62.300 0.014 0.000 1.096 333 V CB 0.001 31.834 31.823 0.018 0.000 0.724 333 V HN 0.489 nan 8.190 nan 0.000 0.467 334 L N 1.199 122.427 121.223 0.008 0.000 2.329 334 L HA 0.370 4.708 4.340 -0.002 0.000 0.279 334 L C -1.254 175.619 176.870 0.005 0.000 1.014 334 L CA -1.449 53.393 54.840 0.003 0.000 0.814 334 L CB 1.719 43.777 42.059 -0.002 0.000 1.257 334 L HN 0.019 nan 8.230 nan 0.000 0.424 335 P HA -0.026 nan 4.420 nan 0.000 0.218 335 P C 0.983 178.290 177.300 0.012 0.000 1.152 335 P CA 0.823 63.928 63.100 0.007 0.000 0.826 335 P CB 0.379 32.082 31.700 0.004 0.000 0.790 336 R N -0.937 119.566 120.500 0.004 0.000 2.362 336 R HA 0.224 4.563 4.340 -0.002 0.000 0.227 336 R C 0.827 177.124 176.300 -0.005 0.000 0.905 336 R CA 0.163 56.266 56.100 0.005 0.000 1.067 336 R CB -0.732 29.565 30.300 -0.005 0.000 1.078 336 R HN 0.166 nan 8.270 nan 0.000 0.516 337 T N -0.665 113.883 114.554 -0.011 0.000 2.913 337 T HA 0.138 4.487 4.350 -0.002 0.000 0.287 337 T C 1.257 175.987 174.700 0.050 0.000 1.008 337 T CA -0.233 61.842 62.100 -0.042 0.000 1.067 337 T CB 0.999 69.845 68.868 -0.037 0.000 0.996 337 T HN 0.314 nan 8.240 nan 0.000 0.513 338 H N 1.695 120.762 119.070 -0.005 0.000 2.353 338 H HA 0.173 4.728 4.556 -0.002 0.000 0.300 338 H C 1.162 176.486 175.328 -0.006 0.000 1.090 338 H CA 0.163 56.207 56.048 -0.007 0.000 1.327 338 H CB 0.296 30.054 29.762 -0.006 0.000 1.383 338 H HN 0.620 nan 8.280 nan 0.000 0.508 339 G N -0.254 108.615 108.800 0.115 0.000 2.753 339 G HA2 0.432 4.391 3.960 -0.002 0.000 0.295 339 G HA3 0.432 4.391 3.960 -0.002 0.000 0.295 339 G C -1.281 173.637 174.900 0.031 0.000 1.437 339 G CA -0.422 44.713 45.100 0.058 0.000 1.094 339 G HN 0.261 nan 8.290 nan 0.000 0.540 340 S N -0.170 115.545 115.700 0.025 0.000 2.569 340 S HA 0.951 5.420 4.470 -0.002 0.000 0.280 340 S C -0.447 174.171 174.600 0.029 0.000 1.111 340 S CA -0.370 57.842 58.200 0.020 0.000 0.887 340 S CB 2.317 65.526 63.200 0.015 0.000 1.095 340 S HN 2.206 nan 8.310 nan 0.000 0.476 341 A N 0.874 123.717 122.820 0.038 0.000 2.574 341 A HA 0.785 5.103 4.320 -0.002 0.000 0.297 341 A C -1.833 175.800 177.584 0.081 0.000 1.062 341 A CA -0.656 51.418 52.037 0.062 0.000 0.686 341 A CB 1.597 20.641 19.000 0.072 0.000 1.285 341 A HN 1.168 nan 8.150 nan 0.000 0.403 342 L N 1.812 123.092 121.223 0.095 0.000 2.342 342 L HA 0.748 5.087 4.340 -0.002 0.000 0.276 342 L C -1.537 175.426 176.870 0.155 0.000 0.997 342 L CA -0.346 54.555 54.840 0.103 0.000 0.838 342 L CB 0.886 42.977 42.059 0.053 0.000 1.224 342 L HN 0.633 nan 8.230 nan 0.000 0.416 343 F N 3.911 123.878 119.950 0.028 0.000 2.426 343 F HA 0.688 5.213 4.527 -0.002 0.000 0.348 343 F C -0.439 175.382 175.800 0.034 0.000 1.124 343 F CA -0.112 57.907 58.000 0.033 0.000 1.008 343 F CB 1.532 40.559 39.000 0.046 0.000 1.139 343 F HN 0.457 nan 8.300 nan 0.000 0.452 344 T N 6.713 120.934 114.554 -0.554 0.000 2.809 344 T HA 0.388 4.736 4.350 -0.002 0.000 0.284 344 T C -0.667 173.702 174.700 -0.552 0.000 0.992 344 T CA -0.697 61.173 62.100 -0.383 0.000 0.957 344 T CB 1.208 69.964 68.868 -0.187 0.000 0.942 344 T HN 0.571 nan 8.240 nan 0.000 0.439 345 R N 2.503 122.803 120.500 -0.332 0.000 2.358 345 R HA 0.522 4.861 4.340 -0.002 0.000 0.309 345 R C 1.004 177.276 176.300 -0.048 0.000 1.026 345 R CA 0.377 56.371 56.100 -0.176 0.000 0.909 345 R CB 0.308 30.589 30.300 -0.031 0.000 1.153 345 R HN 1.000 nan 8.270 nan 0.000 0.515 346 G N 3.666 112.439 108.800 -0.044 0.000 2.602 346 G HA2 -0.381 3.577 3.960 -0.002 0.000 0.310 346 G HA3 -0.381 3.577 3.960 -0.002 0.000 0.310 346 G C 0.298 175.196 174.900 -0.003 0.000 1.183 346 G CA 0.532 45.628 45.100 -0.007 0.000 0.979 346 G HN 0.678 nan 8.290 nan 0.000 0.545 347 E N 0.972 121.185 120.200 0.021 0.000 2.499 347 E HA 0.344 4.693 4.350 -0.002 0.000 0.199 347 E C -0.200 176.419 176.600 0.033 0.000 1.016 347 E CA 0.300 56.714 56.400 0.023 0.000 0.933 347 E CB 0.661 30.382 29.700 0.035 0.000 1.050 347 E HN 0.319 nan 8.360 nan 0.000 0.462 348 T N 0.946 115.524 114.554 0.040 0.000 2.779 348 T HA 0.355 4.704 4.350 -0.002 0.000 0.280 348 T C -0.656 174.079 174.700 0.057 0.000 0.987 348 T CA -0.561 61.580 62.100 0.068 0.000 0.966 348 T CB 1.885 70.823 68.868 0.117 0.000 0.933 348 T HN -0.018 nan 8.240 nan 0.000 0.442 349 Q N 1.356 121.192 119.800 0.060 0.000 2.315 349 Q HA 0.681 5.019 4.340 -0.002 0.000 0.273 349 Q C -2.020 174.031 176.000 0.085 0.000 1.053 349 Q CA -0.885 54.955 55.803 0.062 0.000 0.817 349 Q CB 1.992 30.743 28.738 0.021 0.000 1.326 349 Q HN 0.801 nan 8.270 nan 0.000 0.423 350 A N 3.545 126.451 122.820 0.143 0.000 2.357 350 A HA 0.517 4.836 4.320 -0.002 0.000 0.295 350 A C -1.703 175.948 177.584 0.111 0.000 1.121 350 A CA -0.571 51.541 52.037 0.124 0.000 0.742 350 A CB 1.081 20.190 19.000 0.181 0.000 1.181 350 A HN 0.627 nan 8.150 nan 0.000 0.454 351 L N 4.167 125.426 121.223 0.060 0.000 2.261 351 L HA 0.605 4.943 4.340 -0.002 0.000 0.289 351 L C -0.910 175.980 176.870 0.032 0.000 1.059 351 L CA 0.136 55.004 54.840 0.048 0.000 0.816 351 L CB 0.854 42.932 42.059 0.032 0.000 1.191 351 L HN 0.403 nan 8.230 nan 0.000 0.431 352 V N 3.933 123.870 119.914 0.038 0.000 2.495 352 V HA 0.669 4.787 4.120 -0.002 0.000 0.298 352 V C 0.247 176.335 176.094 -0.010 0.000 1.031 352 V CA -0.313 61.992 62.300 0.008 0.000 0.871 352 V CB 1.850 33.689 31.823 0.027 0.000 0.988 352 V HN 0.857 nan 8.190 nan 0.000 0.432 353 T N 1.363 115.891 114.554 -0.043 0.000 2.932 353 T HA 0.910 5.259 4.350 -0.002 0.000 0.289 353 T C -0.443 174.223 174.700 -0.056 0.000 1.039 353 T CA -0.650 61.427 62.100 -0.039 0.000 1.024 353 T CB 2.157 71.000 68.868 -0.042 0.000 1.090 353 T HN 1.116 nan 8.240 nan 0.000 0.496 354 A N 1.412 124.221 122.820 -0.017 0.000 2.371 354 A HA 0.758 5.077 4.320 -0.002 0.000 0.311 354 A C -0.255 177.360 177.584 0.052 0.000 1.068 354 A CA -0.844 51.201 52.037 0.014 0.000 0.744 354 A CB 1.450 20.477 19.000 0.044 0.000 1.239 354 A HN 0.895 nan 8.150 nan 0.000 0.435 355 T N 2.882 117.476 114.554 0.068 0.000 2.841 355 T HA 0.526 4.874 4.350 -0.002 0.000 0.285 355 T C -0.432 174.413 174.700 0.242 0.000 0.991 355 T CA -0.266 61.900 62.100 0.110 0.000 0.966 355 T CB 0.817 69.658 68.868 -0.046 0.000 0.962 355 T HN 0.487 nan 8.240 nan 0.000 0.438 356 L N 2.620 124.118 121.223 0.459 0.000 2.312 356 L HA 0.782 5.120 4.340 -0.002 0.000 0.281 356 L C 0.915 177.900 176.870 0.192 0.000 1.070 356 L CA -0.289 54.680 54.840 0.214 0.000 0.805 356 L CB 0.993 43.024 42.059 -0.048 0.000 1.174 356 L HN 0.843 nan 8.230 nan 0.000 0.434 357 G N 0.688 109.583 108.800 0.158 0.000 2.870 357 G HA2 0.654 4.613 3.960 -0.002 0.000 0.299 357 G HA3 0.654 4.613 3.960 -0.002 0.000 0.299 357 G C -0.751 174.242 174.900 0.155 0.000 1.324 357 G CA -0.051 45.135 45.100 0.143 0.000 0.808 357 G HN 0.533 nan 8.290 nan 0.000 0.535 358 T N -3.212 111.406 114.554 0.108 0.000 2.876 358 T HA 0.633 4.981 4.350 -0.002 0.000 0.277 358 T C 1.866 176.592 174.700 0.044 0.000 0.997 358 T CA 0.823 62.967 62.100 0.074 0.000 0.966 358 T CB 1.082 69.983 68.868 0.054 0.000 1.312 358 T HN 1.298 nan 8.240 nan 0.000 0.598 359 A N 0.884 123.711 122.820 0.011 0.000 1.849 359 A HA -0.137 4.182 4.320 -0.002 0.000 0.217 359 A C 2.450 180.048 177.584 0.024 0.000 1.202 359 A CA 2.153 54.195 52.037 0.009 0.000 0.629 359 A CB -1.285 17.710 19.000 -0.008 0.000 0.834 359 A HN 0.910 nan 8.150 nan 0.000 0.447 360 R N -0.442 120.071 120.500 0.022 0.000 2.246 360 R HA -0.234 4.105 4.340 -0.002 0.000 0.266 360 R C 1.381 177.701 176.300 0.034 0.000 1.163 360 R CA 1.876 57.991 56.100 0.025 0.000 0.992 360 R CB -0.693 29.621 30.300 0.024 0.000 0.895 360 R HN 0.600 nan 8.270 nan 0.000 0.465 361 D N -0.097 120.329 120.400 0.044 0.000 2.323 361 D HA 0.059 4.698 4.640 -0.002 0.000 0.209 361 D C 0.377 176.712 176.300 0.058 0.000 0.973 361 D CA 0.425 54.457 54.000 0.053 0.000 0.874 361 D CB 0.044 40.884 40.800 0.065 0.000 0.930 361 D HN 0.228 nan 8.370 nan 0.000 0.521 362 A N 1.091 123.944 122.820 0.055 0.000 2.511 362 A HA 0.023 4.342 4.320 -0.002 0.000 0.242 362 A C 0.513 178.129 177.584 0.054 0.000 1.069 362 A CA 0.000 52.073 52.037 0.060 0.000 0.763 362 A CB 0.271 19.303 19.000 0.054 0.000 1.001 362 A HN 0.069 nan 8.150 nan 0.000 0.498 363 Q N 1.767 121.603 119.800 0.060 0.000 2.286 363 Q HA 0.409 4.748 4.340 -0.002 0.000 0.257 363 Q C -1.065 174.965 176.000 0.051 0.000 0.941 363 Q CA -0.342 55.496 55.803 0.058 0.000 0.912 363 Q CB 0.763 29.542 28.738 0.068 0.000 1.192 363 Q HN 0.537 nan 8.270 nan 0.000 0.410 364 V N 6.579 126.519 119.914 0.044 0.000 2.368 364 V HA 0.208 4.327 4.120 -0.002 0.000 0.266 364 V C -0.072 176.046 176.094 0.040 0.000 1.045 364 V CA -0.318 62.005 62.300 0.038 0.000 0.899 364 V CB 0.709 32.551 31.823 0.032 0.000 1.006 364 V HN 0.682 nan 8.190 nan 0.000 0.470 365 L N 4.431 125.678 121.223 0.040 0.000 2.262 365 L HA 0.429 4.767 4.340 -0.002 0.000 0.288 365 L C 0.255 177.146 176.870 0.035 0.000 1.035 365 L CA -0.340 54.524 54.840 0.040 0.000 0.820 365 L CB 1.149 43.234 42.059 0.044 0.000 1.204 365 L HN 0.491 nan 8.230 nan 0.000 0.424 366 D N 3.947 124.367 120.400 0.033 0.000 2.619 366 D HA 0.093 4.732 4.640 -0.002 0.000 0.224 366 D C 0.175 176.491 176.300 0.027 0.000 1.133 366 D CA -0.052 53.965 54.000 0.028 0.000 1.017 366 D CB 0.207 41.023 40.800 0.027 0.000 1.077 366 D HN 0.458 nan 8.370 nan 0.000 0.503 367 E N 0.511 120.729 120.200 0.029 0.000 2.345 367 E HA 0.077 4.426 4.350 -0.002 0.000 0.259 367 E C 1.014 177.628 176.600 0.023 0.000 1.117 367 E CA -0.706 55.713 56.400 0.031 0.000 0.913 367 E CB 1.615 31.336 29.700 0.036 0.000 1.057 367 E HN 0.182 nan 8.360 nan 0.000 0.432 368 L N 1.750 122.987 121.223 0.023 0.000 2.217 368 L HA -0.079 4.259 4.340 -0.002 0.000 0.211 368 L C 1.712 178.591 176.870 0.016 0.000 1.107 368 L CA 1.687 56.534 54.840 0.011 0.000 0.783 368 L CB 0.031 42.092 42.059 0.003 0.000 0.919 368 L HN 0.632 nan 8.230 nan 0.000 0.442 369 M N -1.080 118.535 119.600 0.025 0.000 2.561 369 M HA 0.309 4.788 4.480 -0.002 0.000 0.238 369 M C 0.439 176.752 176.300 0.022 0.000 1.131 369 M CA 0.529 55.843 55.300 0.023 0.000 1.046 369 M CB -0.147 32.469 32.600 0.027 0.000 1.532 369 M HN 0.308 nan 8.290 nan 0.000 0.497 370 G N 1.312 110.125 108.800 0.022 0.000 2.397 370 G HA2 -0.061 3.897 3.960 -0.002 0.000 0.453 370 G HA3 -0.061 3.897 3.960 -0.002 0.000 0.453 370 G C -1.212 173.702 174.900 0.024 0.000 1.579 370 G CA -0.972 44.141 45.100 0.021 0.000 0.906 370 G HN 0.287 nan 8.290 nan 0.000 0.675 371 E N 0.611 120.824 120.200 0.023 0.000 2.414 371 E HA 0.457 4.806 4.350 -0.002 0.000 0.263 371 E C 0.359 176.975 176.600 0.027 0.000 1.000 371 E CA -0.053 56.362 56.400 0.025 0.000 0.914 371 E CB 0.591 30.305 29.700 0.022 0.000 0.948 371 E HN 0.595 nan 8.360 nan 0.000 0.444 372 R N 2.099 122.617 120.500 0.031 0.000 2.584 372 R HA 0.246 4.585 4.340 -0.002 0.000 0.276 372 R C -1.386 174.937 176.300 0.038 0.000 1.046 372 R CA -0.529 55.592 56.100 0.034 0.000 0.906 372 R CB 1.657 31.980 30.300 0.037 0.000 1.215 372 R HN 0.646 nan 8.270 nan 0.000 0.449 373 T N -0.266 114.312 114.554 0.039 0.000 2.795 373 T HA 0.303 4.652 4.350 -0.002 0.000 0.282 373 T C -0.490 174.244 174.700 0.056 0.000 0.980 373 T CA -0.806 61.320 62.100 0.044 0.000 1.012 373 T CB 1.491 70.382 68.868 0.037 0.000 0.936 373 T HN 0.386 nan 8.240 nan 0.000 0.457 374 D N 1.815 122.254 120.400 0.064 0.000 2.280 374 D HA 0.366 5.005 4.640 -0.002 0.000 0.236 374 D C 0.694 177.053 176.300 0.098 0.000 1.082 374 D CA -0.458 53.591 54.000 0.082 0.000 0.834 374 D CB 1.972 42.816 40.800 0.073 0.000 1.100 374 D HN 0.612 nan 8.370 nan 0.000 0.486 375 T N 2.833 117.467 114.554 0.133 0.000 3.051 375 T HA 0.074 4.422 4.350 -0.002 0.000 0.255 375 T C 0.070 174.922 174.700 0.252 0.000 1.085 375 T CA 0.111 62.306 62.100 0.157 0.000 1.109 375 T CB 0.076 69.025 68.868 0.136 0.000 0.921 375 T HN 0.292 nan 8.240 nan 0.000 0.488 376 F N 2.708 122.700 119.950 0.069 0.000 2.427 376 F HA 0.599 5.125 4.527 -0.002 0.000 0.348 376 F C -1.355 174.480 175.800 0.059 0.000 1.125 376 F CA -2.298 55.747 58.000 0.076 0.000 0.989 376 F CB 0.544 39.600 39.000 0.093 0.000 1.165 376 F HN -0.124 nan 8.300 nan 0.000 0.442 377 L N 6.832 127.884 121.223 -0.284 0.000 2.329 377 L HA 0.512 4.851 4.340 -0.002 0.000 0.279 377 L C -1.293 175.189 176.870 -0.648 0.000 1.014 377 L CA -0.792 53.791 54.840 -0.428 0.000 0.814 377 L CB 2.117 43.991 42.059 -0.309 0.000 1.257 377 L HN 0.604 nan 8.230 nan 0.000 0.424 378 F N 2.005 121.525 119.950 -0.716 0.000 2.612 378 F HA 0.434 4.959 4.527 -0.002 0.000 0.332 378 F C -0.421 175.217 175.800 -0.269 0.000 1.167 378 F CA -0.314 57.384 58.000 -0.503 0.000 0.970 378 F CB 1.010 39.742 39.000 -0.447 0.000 1.234 378 F HN 0.488 nan 8.300 nan 0.000 0.453 379 H N 4.428 123.556 119.070 0.096 0.000 2.495 379 H HA 0.303 4.858 4.556 -0.002 0.000 0.348 379 H C -1.693 173.789 175.328 0.256 0.000 1.113 379 H CA -0.982 55.167 56.048 0.168 0.000 1.195 379 H CB 2.184 31.979 29.762 0.056 0.000 1.521 379 H HN 0.606 nan 8.280 nan 0.000 0.509 380 Y N 3.242 123.722 120.300 0.300 0.000 2.331 380 Y HA 0.324 4.873 4.550 -0.002 0.000 0.334 380 Y C -1.309 174.701 175.900 0.184 0.000 0.960 380 Y CA -0.902 57.353 58.100 0.258 0.000 1.130 380 Y CB 0.847 39.482 38.460 0.291 0.000 1.164 380 Y HN 0.627 nan 8.280 nan 0.000 0.458 381 N N 6.546 125.139 118.700 -0.178 0.000 2.372 381 N HA 0.261 5.000 4.740 -0.002 0.000 0.291 381 N C -1.873 173.464 175.510 -0.289 0.000 1.024 381 N CA -0.393 52.572 53.050 -0.142 0.000 0.873 381 N CB 1.777 40.219 38.487 -0.075 0.000 1.206 381 N HN 0.724 nan 8.380 nan 0.000 0.486 382 F N 4.133 123.922 119.950 -0.268 0.000 2.453 382 F HA 0.364 4.890 4.527 -0.002 0.000 0.358 382 F C -2.112 173.570 175.800 -0.197 0.000 1.129 382 F CA -1.730 56.130 58.000 -0.233 0.000 1.200 382 F CB 1.000 39.972 39.000 -0.046 0.000 1.431 382 F HN 0.276 nan 8.300 nan 0.000 0.503 383 P HA 0.200 nan 4.420 nan 0.000 0.274 383 P C -2.343 174.680 177.300 -0.462 0.000 1.231 383 P CA -1.322 61.539 63.100 -0.398 0.000 0.790 383 P CB 0.784 32.107 31.700 -0.628 0.000 0.951 384 P HA -0.140 nan 4.420 nan 0.000 0.223 384 P C 1.393 178.624 177.300 -0.115 0.000 1.151 384 P CA 1.319 64.363 63.100 -0.092 0.000 0.787 384 P CB -0.429 31.274 31.700 0.005 0.000 0.788 385 Y N 0.210 120.455 120.300 -0.092 0.000 2.509 385 Y HA -0.011 4.537 4.550 -0.002 0.000 0.293 385 Y C 2.232 178.053 175.900 -0.131 0.000 1.133 385 Y CA 0.770 58.813 58.100 -0.094 0.000 1.283 385 Y CB -1.623 36.789 38.460 -0.079 0.000 1.001 385 Y HN -0.056 nan 8.280 nan 0.000 0.555 386 S N 0.775 116.201 115.700 -0.458 0.000 2.419 386 S HA -0.149 4.320 4.470 -0.002 0.000 0.233 386 S C 1.365 175.844 174.600 -0.201 0.000 1.016 386 S CA 0.979 58.947 58.200 -0.387 0.000 0.974 386 S CB -0.926 61.814 63.200 -0.767 0.000 0.786 386 S HN 0.559 nan 8.310 nan 0.000 0.492 387 V N -2.898 116.927 119.914 -0.147 0.000 3.176 387 V HA 0.739 4.858 4.120 -0.002 0.000 0.332 387 V C 1.061 177.118 176.094 -0.062 0.000 1.414 387 V CA -0.323 61.939 62.300 -0.063 0.000 1.133 387 V CB -0.784 31.054 31.823 0.024 0.000 1.088 387 V HN 0.686 nan 8.190 nan 0.000 0.473 388 G N 0.415 109.197 108.800 -0.030 0.000 2.272 388 G HA2 -0.226 3.733 3.960 -0.002 0.000 0.280 388 G HA3 -0.226 3.733 3.960 -0.002 0.000 0.280 388 G C -0.179 174.718 174.900 -0.005 0.000 1.067 388 G CA 0.707 45.800 45.100 -0.012 0.000 0.902 388 G HN 0.719 nan 8.290 nan 0.000 0.500 389 E N -0.698 119.509 120.200 0.011 0.000 2.378 389 E HA 0.696 5.045 4.350 -0.002 0.000 0.265 389 E C 0.262 176.882 176.600 0.033 0.000 0.932 389 E CA -0.401 56.008 56.400 0.015 0.000 0.795 389 E CB 1.567 31.276 29.700 0.015 0.000 1.296 389 E HN 0.357 nan 8.360 nan 0.000 0.438 390 T N -1.588 112.982 114.554 0.027 0.000 2.895 390 T HA 0.834 5.182 4.350 -0.002 0.000 0.283 390 T C 0.192 174.907 174.700 0.025 0.000 1.014 390 T CA -0.504 61.615 62.100 0.031 0.000 1.037 390 T CB 1.668 70.549 68.868 0.022 0.000 1.006 390 T HN 0.647 nan 8.240 nan 0.000 0.468 391 G N 0.996 109.812 108.800 0.027 0.000 2.430 391 G HA2 0.467 4.426 3.960 -0.002 0.000 0.300 391 G HA3 0.467 4.426 3.960 -0.002 0.000 0.300 391 G C -1.284 173.629 174.900 0.022 0.000 1.330 391 G CA -1.212 43.901 45.100 0.022 0.000 0.813 391 G HN 0.901 nan 8.290 nan 0.000 0.487 392 M N 0.061 119.671 119.600 0.017 0.000 2.248 392 M HA 0.402 4.881 4.480 -0.002 0.000 0.337 392 M C 0.513 176.824 176.300 0.019 0.000 1.121 392 M CA 0.319 55.628 55.300 0.015 0.000 1.155 392 M CB 1.245 33.851 32.600 0.009 0.000 1.514 392 M HN 0.245 nan 8.290 nan 0.000 0.452 393 V N 4.577 124.502 119.914 0.018 0.000 2.887 393 V HA 0.337 4.456 4.120 -0.002 0.000 0.370 393 V C 0.893 176.994 176.094 0.012 0.000 1.322 393 V CA -0.003 62.308 62.300 0.018 0.000 1.267 393 V CB -1.082 30.755 31.823 0.024 0.000 1.344 393 V HN 1.049 nan 8.190 nan 0.000 0.573 394 G N 1.272 110.078 108.800 0.010 0.000 2.529 394 G HA2 0.254 4.212 3.960 -0.002 0.000 0.234 394 G HA3 0.254 4.212 3.960 -0.002 0.000 0.234 394 G C 0.548 175.450 174.900 0.003 0.000 1.527 394 G CA 0.429 45.532 45.100 0.005 0.000 1.062 394 G HN 0.611 nan 8.290 nan 0.000 0.558 395 S N 0.150 115.849 115.700 -0.001 0.000 2.589 395 S HA 0.371 4.840 4.470 -0.002 0.000 0.265 395 S C -2.530 172.070 174.600 -0.000 0.000 1.342 395 S CA -0.868 57.328 58.200 -0.005 0.000 1.005 395 S CB 0.791 63.986 63.200 -0.007 0.000 0.909 395 S HN 0.328 nan 8.310 nan 0.000 0.555 396 P HA 0.200 nan 4.420 nan 0.000 0.268 396 P C -0.303 177.002 177.300 0.008 0.000 1.204 396 P CA -0.174 62.935 63.100 0.015 0.000 0.768 396 P CB 0.324 32.031 31.700 0.013 0.000 0.842 397 K N 2.592 122.999 120.400 0.011 0.000 2.120 397 K HA 0.211 4.529 4.320 -0.002 0.000 0.245 397 K C 1.548 178.125 176.600 -0.039 0.000 1.024 397 K CA -0.417 55.860 56.287 -0.017 0.000 0.906 397 K CB 0.671 33.155 32.500 -0.027 0.000 1.051 397 K HN 0.319 nan 8.250 nan 0.000 0.491 398 R N 0.958 121.423 120.500 -0.059 0.000 2.091 398 R HA -0.213 4.125 4.340 -0.002 0.000 0.238 398 R C 2.340 178.553 176.300 -0.145 0.000 1.136 398 R CA 1.667 57.720 56.100 -0.079 0.000 0.959 398 R CB -0.295 29.963 30.300 -0.070 0.000 0.856 398 R HN 0.473 nan 8.270 nan 0.000 0.437 399 R N 1.448 121.827 120.500 -0.202 0.000 2.096 399 R HA -0.184 4.155 4.340 -0.002 0.000 0.240 399 R C 1.813 177.835 176.300 -0.464 0.000 1.139 399 R CA 1.914 57.770 56.100 -0.407 0.000 0.952 399 R CB -0.099 29.970 30.300 -0.386 0.000 0.854 399 R HN 0.310 nan 8.270 nan 0.000 0.436 400 E N -0.461 119.651 120.200 -0.147 0.000 2.150 400 E HA -0.153 4.196 4.350 -0.002 0.000 0.193 400 E C 1.976 178.611 176.600 0.058 0.000 0.985 400 E CA 1.387 57.856 56.400 0.115 0.000 0.814 400 E CB -0.067 29.767 29.700 0.224 0.000 0.752 400 E HN 0.417 nan 8.360 nan 0.000 0.466 401 I N 0.496 121.055 120.570 -0.019 0.000 2.286 401 I HA -0.139 4.029 4.170 -0.002 0.000 0.245 401 I C 2.484 178.564 176.117 -0.062 0.000 1.104 401 I CA 1.037 62.332 61.300 -0.007 0.000 1.397 401 I CB -0.321 37.672 38.000 -0.011 0.000 1.072 401 I HN 0.139 nan 8.210 nan 0.000 0.417 402 G N -0.362 108.352 108.800 -0.142 0.000 2.402 402 G HA2 -0.212 3.746 3.960 -0.002 0.000 0.216 402 G HA3 -0.212 3.746 3.960 -0.002 0.000 0.216 402 G C 1.440 176.278 174.900 -0.103 0.000 1.162 402 G CA 0.671 45.690 45.100 -0.135 0.000 0.777 402 G HN 0.467 nan 8.290 nan 0.000 0.539 403 H N -0.292 118.570 119.070 -0.346 0.000 2.470 403 H HA 0.073 4.628 4.556 -0.002 0.000 0.289 403 H C 2.846 177.843 175.328 -0.552 0.000 1.033 403 H CA 0.080 55.778 56.048 -0.583 0.000 1.331 403 H CB 0.269 29.377 29.762 -1.089 0.000 1.414 403 H HN 0.413 nan 8.280 nan 0.000 0.545 404 G N 0.872 109.548 108.800 -0.208 0.000 2.422 404 G HA2 -0.261 3.698 3.960 -0.002 0.000 0.218 404 G HA3 -0.261 3.698 3.960 -0.002 0.000 0.218 404 G C 1.800 176.606 174.900 -0.156 0.000 1.140 404 G CA 0.360 45.474 45.100 0.024 0.000 0.775 404 G HN 0.180 nan 8.290 nan 0.000 0.545 405 R N -0.025 120.397 120.500 -0.130 0.000 2.093 405 R HA 0.150 4.489 4.340 -0.002 0.000 0.224 405 R C 2.313 178.496 176.300 -0.194 0.000 1.101 405 R CA 0.748 56.764 56.100 -0.140 0.000 0.979 405 R CB -0.880 29.374 30.300 -0.076 0.000 0.877 405 R HN 0.333 nan 8.270 nan 0.000 0.441 406 L N 0.209 121.316 121.223 -0.193 0.000 2.017 406 L HA 0.061 4.399 4.340 -0.002 0.000 0.208 406 L C 2.013 178.724 176.870 -0.265 0.000 1.073 406 L CA 2.312 57.037 54.840 -0.191 0.000 0.745 406 L CB -0.932 41.027 42.059 -0.166 0.000 0.894 406 L HN 0.202 nan 8.230 nan 0.000 0.432 407 A N -0.709 121.874 122.820 -0.396 0.000 1.969 407 A HA -0.227 4.091 4.320 -0.002 0.000 0.218 407 A C 2.441 179.553 177.584 -0.787 0.000 1.169 407 A CA 1.773 53.486 52.037 -0.541 0.000 0.635 407 A CB -0.607 18.047 19.000 -0.578 0.000 0.810 407 A HN 0.530 nan 8.150 nan 0.000 0.445 408 K N -0.346 119.508 120.400 -0.910 0.000 2.057 408 K HA -0.118 4.201 4.320 -0.002 0.000 0.207 408 K C 2.183 178.734 176.600 -0.081 0.000 1.049 408 K CA 1.353 57.336 56.287 -0.507 0.000 0.931 408 K CB -0.153 32.136 32.500 -0.352 0.000 0.714 408 K HN 0.412 nan 8.250 nan 0.000 0.440 409 R N -0.651 119.776 120.500 -0.121 0.000 2.148 409 R HA -0.042 4.297 4.340 -0.002 0.000 0.227 409 R C 2.227 178.504 176.300 -0.038 0.000 1.103 409 R CA 1.063 57.137 56.100 -0.044 0.000 0.983 409 R CB -0.169 30.093 30.300 -0.063 0.000 0.874 409 R HN 0.326 nan 8.270 nan 0.000 0.451 410 G N -0.466 108.287 108.800 -0.078 0.000 2.534 410 G HA2 -0.091 3.868 3.960 -0.002 0.000 0.217 410 G HA3 -0.091 3.868 3.960 -0.002 0.000 0.217 410 G C 1.158 176.054 174.900 -0.006 0.000 1.128 410 G CA 0.330 45.398 45.100 -0.052 0.000 0.784 410 G HN 0.141 nan 8.290 nan 0.000 0.542 411 V N -0.257 119.684 119.914 0.044 0.000 3.212 411 V HA 0.146 4.265 4.120 -0.002 0.000 0.244 411 V C 2.284 178.402 176.094 0.041 0.000 1.151 411 V CA 0.188 62.545 62.300 0.095 0.000 1.119 411 V CB 0.365 32.357 31.823 0.281 0.000 0.838 411 V HN 0.271 nan 8.190 nan 0.000 0.470 412 L N 1.693 122.974 121.223 0.097 0.000 2.129 412 L HA -0.141 4.198 4.340 -0.002 0.000 0.212 412 L C 2.443 179.300 176.870 -0.022 0.000 1.087 412 L CA 2.363 57.228 54.840 0.041 0.000 0.757 412 L CB -0.689 41.452 42.059 0.135 0.000 0.896 412 L HN 0.277 nan 8.230 nan 0.000 0.434 413 A N -1.148 121.667 122.820 -0.008 0.000 2.019 413 A HA -0.138 4.181 4.320 -0.002 0.000 0.219 413 A C 2.036 179.600 177.584 -0.034 0.000 1.164 413 A CA 1.913 53.941 52.037 -0.015 0.000 0.644 413 A CB -0.917 18.078 19.000 -0.008 0.000 0.805 413 A HN 0.490 nan 8.150 nan 0.000 0.449 414 V N -4.280 115.603 119.914 -0.053 0.000 3.621 414 V HA 0.271 4.390 4.120 -0.002 0.000 0.285 414 V C 0.648 176.678 176.094 -0.106 0.000 1.346 414 V CA -0.352 61.908 62.300 -0.066 0.000 1.104 414 V CB -0.659 31.131 31.823 -0.056 0.000 0.913 414 V HN 0.310 nan 8.190 nan 0.000 0.432 415 M N 3.377 122.887 119.600 -0.151 0.000 2.239 415 M HA 0.351 4.830 4.480 -0.002 0.000 0.348 415 M C -2.316 173.912 176.300 -0.120 0.000 1.239 415 M CA -1.896 53.278 55.300 -0.210 0.000 1.114 415 M CB 0.211 32.595 32.600 -0.359 0.000 1.641 415 M HN 0.155 nan 8.290 nan 0.000 0.453 416 P HA 0.140 nan 4.420 nan 0.000 0.275 416 P C -0.992 176.324 177.300 0.026 0.000 1.228 416 P CA -0.369 62.713 63.100 -0.029 0.000 0.786 416 P CB 0.296 31.978 31.700 -0.030 0.000 0.927 417 D N 1.543 121.964 120.400 0.036 0.000 2.414 417 D HA 0.076 4.715 4.640 -0.002 0.000 0.251 417 D C 1.457 177.799 176.300 0.070 0.000 1.252 417 D CA -0.430 53.596 54.000 0.044 0.000 0.999 417 D CB 0.143 40.959 40.800 0.026 0.000 1.093 417 D HN 0.072 nan 8.370 nan 0.000 0.515 418 M N 0.247 119.873 119.600 0.043 0.000 2.296 418 M HA -0.080 4.399 4.480 -0.002 0.000 0.265 418 M C 0.887 177.182 176.300 -0.007 0.000 1.064 418 M CA 1.070 56.380 55.300 0.017 0.000 1.109 418 M CB -0.857 31.741 32.600 -0.003 0.000 1.396 418 M HN 0.480 nan 8.290 nan 0.000 0.430 419 D N 0.068 120.472 120.400 0.007 0.000 2.097 419 D HA -0.161 4.477 4.640 -0.002 0.000 0.197 419 D C 1.974 178.287 176.300 0.023 0.000 0.984 419 D CA 1.168 55.168 54.000 0.000 0.000 0.826 419 D CB -0.155 40.648 40.800 0.006 0.000 0.973 419 D HN 0.221 nan 8.370 nan 0.000 0.460 420 K N -0.617 119.821 120.400 0.064 0.000 2.062 420 K HA -0.029 4.290 4.320 -0.002 0.000 0.205 420 K C 0.004 176.743 176.600 0.231 0.000 1.051 420 K CA 0.522 56.876 56.287 0.112 0.000 0.941 420 K CB 0.091 32.648 32.500 0.096 0.000 0.719 420 K HN -0.002 nan 8.250 nan 0.000 0.440 421 F N 1.211 121.171 119.950 0.015 0.000 2.949 421 F HA 0.319 4.845 4.527 -0.002 0.000 0.376 421 F C -2.574 173.222 175.800 -0.006 0.000 1.205 421 F CA -2.728 55.319 58.000 0.079 0.000 1.155 421 F CB 1.761 40.832 39.000 0.118 0.000 1.495 421 F HN -0.087 nan 8.300 nan 0.000 0.551 422 P HA 0.197 nan 4.420 nan 0.000 0.214 422 P C -1.611 175.142 177.300 -0.913 0.000 1.826 422 P CA 0.247 63.009 63.100 -0.563 0.000 0.977 422 P CB -0.550 30.841 31.700 -0.515 0.000 1.930 423 Y N -1.607 118.504 120.300 -0.315 0.000 2.524 423 Y HA 0.337 4.886 4.550 -0.002 0.000 0.347 423 Y C 0.830 176.709 175.900 -0.036 0.000 1.005 423 Y CA -0.931 57.020 58.100 -0.249 0.000 1.025 423 Y CB 1.462 39.631 38.460 -0.485 0.000 1.275 423 Y HN -0.253 nan 8.280 nan 0.000 0.460 424 T N 2.921 117.577 114.554 0.170 0.000 2.851 424 T HA 0.415 4.764 4.350 -0.002 0.000 0.298 424 T C -0.442 174.390 174.700 0.220 0.000 0.977 424 T CA -0.339 61.865 62.100 0.173 0.000 1.126 424 T CB 0.255 69.197 68.868 0.124 0.000 0.916 424 T HN 0.318 nan 8.240 nan 0.000 0.529 425 V N 4.701 124.775 119.914 0.268 0.000 2.487 425 V HA 0.505 4.624 4.120 -0.002 0.000 0.298 425 V C 0.163 176.405 176.094 0.247 0.000 1.028 425 V CA -0.921 61.555 62.300 0.294 0.000 0.860 425 V CB 1.642 33.681 31.823 0.358 0.000 0.991 425 V HN 0.711 nan 8.190 nan 0.000 0.427 426 R N 3.511 124.081 120.500 0.117 0.000 2.387 426 R HA 0.737 5.075 4.340 -0.002 0.000 0.314 426 R C -1.699 174.542 176.300 -0.099 0.000 0.958 426 R CA -0.383 55.694 56.100 -0.040 0.000 0.846 426 R CB 1.902 32.169 30.300 -0.054 0.000 1.147 426 R HN 0.549 nan 8.270 nan 0.000 0.447 427 V N 5.323 125.064 119.914 -0.288 0.000 2.384 427 V HA 0.368 4.486 4.120 -0.002 0.000 0.287 427 V C -0.359 175.380 176.094 -0.592 0.000 1.020 427 V CA -0.739 61.292 62.300 -0.448 0.000 0.850 427 V CB 1.807 33.240 31.823 -0.650 0.000 0.987 427 V HN 0.471 nan 8.190 nan 0.000 0.436 428 V N 3.698 123.409 119.914 -0.338 0.000 2.448 428 V HA 0.487 4.606 4.120 -0.002 0.000 0.295 428 V C 0.136 176.145 176.094 -0.142 0.000 1.025 428 V CA -0.298 61.888 62.300 -0.189 0.000 0.859 428 V CB 1.902 33.690 31.823 -0.058 0.000 0.988 428 V HN 0.834 nan 8.190 nan 0.000 0.431 429 S N 4.154 119.822 115.700 -0.054 0.000 2.474 429 S HA 0.423 4.891 4.470 -0.002 0.000 0.321 429 S C -0.416 174.161 174.600 -0.038 0.000 1.080 429 S CA -0.704 57.511 58.200 0.025 0.000 1.106 429 S CB 0.488 63.823 63.200 0.225 0.000 0.984 429 S HN 0.722 nan 8.310 nan 0.000 0.464 430 E N 4.654 124.826 120.200 -0.048 0.000 2.081 430 E HA 0.229 4.578 4.350 -0.002 0.000 0.276 430 E C -0.326 176.202 176.600 -0.120 0.000 0.950 430 E CA -0.650 55.694 56.400 -0.093 0.000 0.776 430 E CB 0.790 30.469 29.700 -0.035 0.000 1.094 430 E HN 0.533 nan 8.360 nan 0.000 0.402 431 I N 3.808 124.228 120.570 -0.250 0.000 2.406 431 I HA -0.034 4.135 4.170 -0.002 0.000 0.293 431 I C 1.696 177.621 176.117 -0.320 0.000 1.101 431 I CA 0.287 61.429 61.300 -0.263 0.000 1.334 431 I CB -0.319 37.465 38.000 -0.360 0.000 1.421 431 I HN 0.410 nan 8.210 nan 0.000 0.513 432 T N 2.234 116.705 114.554 -0.139 0.000 3.051 432 T HA 0.217 4.565 4.350 -0.002 0.000 0.255 432 T C 0.607 175.279 174.700 -0.046 0.000 1.085 432 T CA 0.173 62.258 62.100 -0.025 0.000 1.109 432 T CB 0.426 69.345 68.868 0.085 0.000 0.921 432 T HN 0.543 nan 8.240 nan 0.000 0.488 433 E N 0.154 120.299 120.200 -0.091 0.000 2.343 433 E HA 0.593 4.941 4.350 -0.002 0.000 0.278 433 E C -1.726 174.834 176.600 -0.068 0.000 0.910 433 E CA -0.553 55.805 56.400 -0.069 0.000 0.757 433 E CB 2.446 32.139 29.700 -0.010 0.000 1.218 433 E HN 0.056 nan 8.360 nan 0.000 0.435 434 S N 1.727 117.398 115.700 -0.049 0.000 2.594 434 S HA 0.481 4.950 4.470 -0.002 0.000 0.296 434 S C -0.993 173.671 174.600 0.106 0.000 1.124 434 S CA -0.557 57.684 58.200 0.068 0.000 1.011 434 S CB 0.682 63.981 63.200 0.165 0.000 1.016 434 S HN 0.508 nan 8.310 nan 0.000 0.485 435 N N 2.633 121.407 118.700 0.124 0.000 2.577 435 N HA 0.358 5.097 4.740 -0.002 0.000 0.285 435 N C -0.318 175.263 175.510 0.118 0.000 1.658 435 N CA 0.797 53.923 53.050 0.128 0.000 0.865 435 N CB 0.671 39.221 38.487 0.105 0.000 1.419 435 N HN 1.064 nan 8.380 nan 0.000 0.495 436 G N -0.151 108.728 108.800 0.131 0.000 2.619 436 G HA2 -0.098 3.860 3.960 -0.002 0.000 0.686 436 G HA3 -0.098 3.860 3.960 -0.002 0.000 0.686 436 G C -0.638 174.329 174.900 0.111 0.000 1.256 436 G CA -0.422 44.736 45.100 0.096 0.000 0.826 436 G HN 0.419 nan 8.290 nan 0.000 0.619 437 S N -0.325 115.428 115.700 0.089 0.000 2.596 437 S HA 0.354 4.823 4.470 -0.002 0.000 0.298 437 S C 1.859 176.535 174.600 0.127 0.000 1.255 437 S CA 0.985 59.227 58.200 0.070 0.000 1.083 437 S CB 0.166 63.384 63.200 0.030 0.000 0.837 437 S HN 2.132 nan 8.310 nan 0.000 0.499 438 S N 3.565 119.369 115.700 0.172 0.000 2.458 438 S HA -0.061 4.408 4.470 -0.002 0.000 0.223 438 S C 1.986 176.771 174.600 0.308 0.000 1.019 438 S CA 0.631 59.005 58.200 0.289 0.000 0.937 438 S CB -0.533 62.950 63.200 0.471 0.000 0.788 438 S HN 0.920 nan 8.310 nan 0.000 0.511 439 S N 1.579 117.356 115.700 0.129 0.000 2.436 439 S HA 0.116 4.585 4.470 -0.002 0.000 0.228 439 S C 1.852 176.460 174.600 0.013 0.000 1.014 439 S CA 0.457 58.669 58.200 0.018 0.000 0.950 439 S CB -0.490 62.505 63.200 -0.342 0.000 0.784 439 S HN 0.315 nan 8.310 nan 0.000 0.504 440 M N 1.479 121.088 119.600 0.014 0.000 2.388 440 M HA 0.315 4.794 4.480 -0.002 0.000 0.265 440 M C 2.489 178.795 176.300 0.011 0.000 1.088 440 M CA 1.063 56.367 55.300 0.006 0.000 1.134 440 M CB -1.583 31.029 32.600 0.020 0.000 1.384 440 M HN 0.555 nan 8.290 nan 0.000 0.447 441 A N -0.327 122.557 122.820 0.107 0.000 2.014 441 A HA -0.051 4.268 4.320 -0.002 0.000 0.218 441 A C 2.415 180.024 177.584 0.042 0.000 1.163 441 A CA 1.629 53.747 52.037 0.134 0.000 0.652 441 A CB -0.538 18.685 19.000 0.372 0.000 0.808 441 A HN 0.443 nan 8.150 nan 0.000 0.449 442 S N -0.395 115.396 115.700 0.152 0.000 2.402 442 S HA -0.092 4.377 4.470 -0.002 0.000 0.229 442 S C 1.853 176.576 174.600 0.206 0.000 1.021 442 S CA 1.247 59.593 58.200 0.245 0.000 0.974 442 S CB -0.307 63.153 63.200 0.434 0.000 0.800 442 S HN 0.351 nan 8.310 nan 0.000 0.484 443 V N 1.297 121.250 119.914 0.066 0.000 2.295 443 V HA -0.234 3.885 4.120 -0.002 0.000 0.246 443 V C 2.475 178.530 176.094 -0.065 0.000 1.049 443 V CA 1.616 63.928 62.300 0.019 0.000 1.024 443 V CB -0.908 30.887 31.823 -0.046 0.000 0.648 443 V HN 0.585 nan 8.190 nan 0.000 0.447 444 C N 0.729 119.865 119.300 -0.273 0.000 2.432 444 C HA -0.035 4.423 4.460 -0.002 0.000 0.277 444 C C 2.936 177.717 174.990 -0.349 0.000 1.249 444 C CA 0.648 59.371 59.018 -0.491 0.000 1.725 444 C CB -1.755 25.215 27.740 -1.283 0.000 2.028 444 C HN 0.672 nan 8.230 nan 0.000 0.477 445 G N 0.444 109.080 108.800 -0.273 0.000 2.422 445 G HA2 -0.017 3.941 3.960 -0.002 0.000 0.218 445 G HA3 -0.017 3.941 3.960 -0.002 0.000 0.218 445 G C 1.862 176.774 174.900 0.021 0.000 1.146 445 G CA 1.054 46.133 45.100 -0.034 0.000 0.769 445 G HN 0.624 nan 8.290 nan 0.000 0.547 446 A N 0.572 123.433 122.820 0.068 0.000 1.902 446 A HA -0.002 4.317 4.320 -0.002 0.000 0.217 446 A C 2.626 180.251 177.584 0.069 0.000 1.181 446 A CA 2.239 54.340 52.037 0.107 0.000 0.623 446 A CB -0.838 18.354 19.000 0.319 0.000 0.818 446 A HN 0.410 nan 8.150 nan 0.000 0.443 447 S N -0.494 115.228 115.700 0.036 0.000 2.382 447 S HA -0.116 4.353 4.470 -0.002 0.000 0.228 447 S C 1.881 176.477 174.600 -0.006 0.000 1.027 447 S CA 1.589 59.791 58.200 0.004 0.000 0.991 447 S CB -0.488 62.697 63.200 -0.025 0.000 0.823 447 S HN 0.476 nan 8.310 nan 0.000 0.469 448 L N 0.819 122.041 121.223 -0.001 0.000 2.109 448 L HA 0.104 4.442 4.340 -0.002 0.000 0.207 448 L C 2.898 179.777 176.870 0.015 0.000 1.086 448 L CA 1.073 55.921 54.840 0.014 0.000 0.760 448 L CB -0.609 41.475 42.059 0.041 0.000 0.910 448 L HN 0.348 nan 8.230 nan 0.000 0.437 449 A N 0.139 122.970 122.820 0.019 0.000 1.930 449 A HA -0.087 4.232 4.320 -0.002 0.000 0.217 449 A C 2.278 179.868 177.584 0.011 0.000 1.175 449 A CA 1.205 53.252 52.037 0.017 0.000 0.627 449 A CB -0.589 18.418 19.000 0.011 0.000 0.815 449 A HN 0.324 nan 8.150 nan 0.000 0.443 450 L N -1.215 120.011 121.223 0.005 0.000 2.056 450 L HA -0.167 4.172 4.340 -0.002 0.000 0.207 450 L C 2.855 179.695 176.870 -0.051 0.000 1.078 450 L CA 1.423 56.253 54.840 -0.017 0.000 0.749 450 L CB -0.402 41.642 42.059 -0.026 0.000 0.901 450 L HN 0.396 nan 8.230 nan 0.000 0.433 451 M N -0.691 118.882 119.600 -0.044 0.000 2.159 451 M HA -0.230 4.249 4.480 -0.002 0.000 0.263 451 M C 1.839 178.119 176.300 -0.035 0.000 1.063 451 M CA 1.676 56.945 55.300 -0.051 0.000 1.110 451 M CB -0.433 32.145 32.600 -0.036 0.000 1.374 451 M HN 0.190 nan 8.290 nan 0.000 0.411 452 D N 0.380 120.772 120.400 -0.013 0.000 2.178 452 D HA -0.080 4.559 4.640 -0.002 0.000 0.202 452 D C 1.684 177.985 176.300 0.002 0.000 0.974 452 D CA 1.419 55.419 54.000 -0.001 0.000 0.841 452 D CB 0.170 40.978 40.800 0.013 0.000 0.953 452 D HN 0.287 nan 8.370 nan 0.000 0.478 453 A N -0.891 121.931 122.820 0.003 0.000 2.206 453 A HA 0.404 4.723 4.320 -0.002 0.000 0.211 453 A C 1.821 179.390 177.584 -0.026 0.000 1.158 453 A CA 1.067 53.113 52.037 0.014 0.000 0.761 453 A CB -0.468 18.564 19.000 0.052 0.000 0.801 453 A HN 0.452 nan 8.150 nan 0.000 0.473 454 G N -1.381 107.386 108.800 -0.055 0.000 2.136 454 G HA2 -0.184 3.774 3.960 -0.002 0.000 0.242 454 G HA3 -0.184 3.774 3.960 -0.002 0.000 0.242 454 G C 0.089 174.872 174.900 -0.196 0.000 0.989 454 G CA 0.054 45.104 45.100 -0.083 0.000 0.682 454 G HN 0.800 nan 8.290 nan 0.000 0.522 455 V N 2.087 121.840 119.914 -0.270 0.000 2.470 455 V HA 0.343 4.462 4.120 -0.002 0.000 0.276 455 V C -1.080 174.733 176.094 -0.469 0.000 1.040 455 V CA -0.706 61.243 62.300 -0.586 0.000 1.008 455 V CB 1.148 32.739 31.823 -0.386 0.000 0.990 455 V HN 0.258 nan 8.190 nan 0.000 0.477 456 P HA 0.229 nan 4.420 nan 0.000 0.231 456 P C 0.019 177.178 177.300 -0.235 0.000 1.811 456 P CA -0.209 62.709 63.100 -0.303 0.000 1.051 456 P CB -0.277 31.284 31.700 -0.233 0.000 1.951 457 I N -1.642 118.809 120.570 -0.199 0.000 2.696 457 I HA 0.181 4.350 4.170 -0.002 0.000 0.284 457 I C 1.373 177.431 176.117 -0.098 0.000 1.129 457 I CA -0.543 60.670 61.300 -0.146 0.000 1.410 457 I CB 0.568 38.493 38.000 -0.126 0.000 1.399 457 I HN -0.180 nan 8.210 nan 0.000 0.579 458 K N 3.618 123.972 120.400 -0.078 0.000 2.063 458 K HA 0.094 4.413 4.320 -0.002 0.000 0.208 458 K C 0.460 177.035 176.600 -0.043 0.000 1.048 458 K CA 1.846 58.101 56.287 -0.052 0.000 0.928 458 K CB -0.178 32.297 32.500 -0.041 0.000 0.713 458 K HN 0.886 nan 8.250 nan 0.000 0.442 459 A N -1.413 121.381 122.820 -0.043 0.000 2.601 459 A HA 0.724 5.042 4.320 -0.002 0.000 0.291 459 A C -1.445 176.118 177.584 -0.034 0.000 1.075 459 A CA -0.565 51.452 52.037 -0.033 0.000 0.671 459 A CB 0.782 19.768 19.000 -0.023 0.000 1.277 459 A HN 0.111 nan 8.150 nan 0.000 0.417 460 A N -0.252 122.552 122.820 -0.027 0.000 2.445 460 A HA 0.548 4.867 4.320 -0.002 0.000 0.242 460 A C -0.032 177.538 177.584 -0.023 0.000 1.075 460 A CA 0.179 52.201 52.037 -0.025 0.000 0.777 460 A CB 0.291 19.279 19.000 -0.019 0.000 1.013 460 A HN 2.037 nan 8.150 nan 0.000 0.493 461 V N 0.970 120.868 119.914 -0.027 0.000 2.789 461 V HA 0.812 4.931 4.120 -0.002 0.000 0.311 461 V C -0.011 176.056 176.094 -0.045 0.000 1.073 461 V CA 0.440 62.725 62.300 -0.026 0.000 0.921 461 V CB 1.753 33.566 31.823 -0.017 0.000 1.009 461 V HN 1.772 nan 8.190 nan 0.000 0.426 462 A N 3.721 126.517 122.820 -0.040 0.000 2.593 462 A HA 1.047 5.366 4.320 -0.002 0.000 0.290 462 A C -0.369 177.197 177.584 -0.029 0.000 1.126 462 A CA -0.103 51.899 52.037 -0.059 0.000 0.695 462 A CB 1.962 20.938 19.000 -0.039 0.000 1.290 462 A HN 1.804 nan 8.150 nan 0.000 0.414 463 G N -0.953 107.832 108.800 -0.025 0.000 2.660 463 G HA2 0.774 4.732 3.960 -0.002 0.000 0.290 463 G HA3 0.774 4.732 3.960 -0.002 0.000 0.290 463 G C -1.465 173.461 174.900 0.043 0.000 1.432 463 G CA 0.063 45.168 45.100 0.007 0.000 0.807 463 G HN 1.625 nan 8.290 nan 0.000 0.485 464 I N -2.016 118.588 120.570 0.057 0.000 3.195 464 I HA 0.894 5.063 4.170 -0.002 0.000 0.313 464 I C -0.086 176.075 176.117 0.074 0.000 1.237 464 I CA -1.817 59.529 61.300 0.077 0.000 0.963 464 I CB 1.740 39.795 38.000 0.092 0.000 1.278 464 I HN 0.894 nan 8.210 nan 0.000 0.460 465 A N 3.607 126.472 122.820 0.075 0.000 2.304 465 A HA 0.905 5.224 4.320 -0.002 0.000 0.323 465 A C -0.510 177.130 177.584 0.092 0.000 1.195 465 A CA -0.587 51.498 52.037 0.081 0.000 0.826 465 A CB 0.789 19.818 19.000 0.048 0.000 1.184 465 A HN 0.613 nan 8.150 nan 0.000 0.496 466 M N 2.019 121.702 119.600 0.138 0.000 2.423 466 M HA 0.538 5.016 4.480 -0.002 0.000 0.335 466 M C 0.536 176.882 176.300 0.076 0.000 1.177 466 M CA -0.399 54.947 55.300 0.077 0.000 1.038 466 M CB 1.089 33.683 32.600 -0.010 0.000 1.641 466 M HN 0.808 nan 8.290 nan 0.000 0.455 467 G N 1.316 110.132 108.800 0.026 0.000 2.735 467 G HA2 0.843 4.802 3.960 -0.002 0.000 0.301 467 G HA3 0.843 4.802 3.960 -0.002 0.000 0.301 467 G C -2.037 172.868 174.900 0.007 0.000 1.279 467 G CA -0.484 44.633 45.100 0.028 0.000 1.019 467 G HN 0.599 nan 8.290 nan 0.000 0.497 468 L N -0.513 120.722 121.223 0.019 0.000 2.513 468 L HA 0.682 5.020 4.340 -0.002 0.000 0.261 468 L C -1.335 175.554 176.870 0.032 0.000 0.945 468 L CA -0.568 54.286 54.840 0.022 0.000 0.848 468 L CB 2.361 44.420 42.059 0.000 0.000 1.334 468 L HN 0.411 nan 8.230 nan 0.000 0.407 469 V N 4.263 124.205 119.914 0.047 0.000 2.483 469 V HA 0.608 4.727 4.120 -0.002 0.000 0.297 469 V C -0.585 175.551 176.094 0.069 0.000 1.027 469 V CA -0.642 61.682 62.300 0.040 0.000 0.855 469 V CB 1.713 33.548 31.823 0.019 0.000 0.995 469 V HN 0.740 nan 8.190 nan 0.000 0.424 470 K N 3.461 123.895 120.400 0.056 0.000 2.541 470 K HA 0.557 4.876 4.320 -0.002 0.000 0.250 470 K C -1.278 175.349 176.600 0.045 0.000 0.950 470 K CA -0.552 55.781 56.287 0.075 0.000 0.805 470 K CB 1.691 34.225 32.500 0.056 0.000 1.166 470 K HN 0.594 nan 8.250 nan 0.000 0.430 471 E N 2.764 122.991 120.200 0.046 0.000 2.216 471 E HA 0.276 4.625 4.350 -0.002 0.000 0.260 471 E C 0.400 177.018 176.600 0.031 0.000 0.880 471 E CA 0.009 56.425 56.400 0.027 0.000 0.765 471 E CB 1.674 31.382 29.700 0.014 0.000 1.174 471 E HN 0.944 nan 8.360 nan 0.000 0.417 472 G N 5.005 113.820 108.800 0.025 0.000 2.602 472 G HA2 -0.373 3.586 3.960 -0.002 0.000 0.310 472 G HA3 -0.373 3.586 3.960 -0.002 0.000 0.310 472 G C 0.550 175.476 174.900 0.043 0.000 1.183 472 G CA 0.624 45.738 45.100 0.024 0.000 0.979 472 G HN 0.548 nan 8.290 nan 0.000 0.545 473 D N 1.849 122.280 120.400 0.051 0.000 2.346 473 D HA 0.085 4.724 4.640 -0.002 0.000 0.206 473 D C 1.004 177.389 176.300 0.141 0.000 1.001 473 D CA 0.240 54.292 54.000 0.087 0.000 0.871 473 D CB -0.163 40.672 40.800 0.058 0.000 0.943 473 D HN 0.528 nan 8.370 nan 0.000 0.518 474 N N 0.604 119.352 118.700 0.080 0.000 2.497 474 N HA 0.257 4.996 4.740 -0.002 0.000 0.271 474 N C -0.695 174.888 175.510 0.122 0.000 1.142 474 N CA -0.093 52.978 53.050 0.034 0.000 0.965 474 N CB 0.507 38.989 38.487 -0.008 0.000 1.077 474 N HN 0.093 nan 8.380 nan 0.000 0.462 475 Y N -1.786 118.499 120.300 -0.026 0.000 2.581 475 Y HA 0.674 5.223 4.550 -0.002 0.000 0.337 475 Y C -1.789 174.090 175.900 -0.034 0.000 1.108 475 Y CA -1.259 56.823 58.100 -0.030 0.000 1.033 475 Y CB 0.874 39.313 38.460 -0.035 0.000 1.318 475 Y HN 0.122 nan 8.280 nan 0.000 0.459 476 V N 3.215 123.189 119.914 0.100 0.000 2.525 476 V HA 0.459 4.578 4.120 -0.002 0.000 0.299 476 V C -0.719 175.436 176.094 0.100 0.000 1.034 476 V CA -0.939 61.378 62.300 0.029 0.000 0.863 476 V CB 1.597 33.407 31.823 -0.021 0.000 0.999 476 V HN 0.768 nan 8.190 nan 0.000 0.423 477 V N 6.162 126.135 119.914 0.098 0.000 2.432 477 V HA 0.359 4.478 4.120 -0.002 0.000 0.271 477 V C -0.147 175.948 176.094 0.002 0.000 1.046 477 V CA -0.340 61.984 62.300 0.039 0.000 0.945 477 V CB 1.262 33.092 31.823 0.011 0.000 0.992 477 V HN 0.550 nan 8.190 nan 0.000 0.471 478 L N 4.515 125.736 121.223 -0.004 0.000 2.309 478 L HA 0.473 4.811 4.340 -0.002 0.000 0.282 478 L C 0.467 177.336 176.870 -0.002 0.000 1.036 478 L CA 0.604 55.443 54.840 -0.001 0.000 0.806 478 L CB 1.843 43.907 42.059 0.008 0.000 1.220 478 L HN 0.641 nan 8.230 nan 0.000 0.429 479 S N 1.653 117.354 115.700 0.002 0.000 2.508 479 S HA 0.272 4.741 4.470 -0.002 0.000 0.284 479 S C -0.521 174.095 174.600 0.026 0.000 1.192 479 S CA -0.464 57.743 58.200 0.011 0.000 1.070 479 S CB 0.720 63.922 63.200 0.004 0.000 1.004 479 S HN 0.703 nan 8.310 nan 0.000 0.493 480 D N 1.848 122.274 120.400 0.043 0.000 3.205 480 D HA -0.184 4.455 4.640 -0.002 0.000 0.227 480 D C -0.135 176.194 176.300 0.048 0.000 1.171 480 D CA 0.434 54.468 54.000 0.056 0.000 0.929 480 D CB -1.240 39.600 40.800 0.066 0.000 0.900 480 D HN 0.568 nan 8.370 nan 0.000 0.404 481 I N -1.235 119.361 120.570 0.043 0.000 2.638 481 I HA 0.370 4.539 4.170 -0.002 0.000 0.286 481 I C 0.900 177.039 176.117 0.037 0.000 1.088 481 I CA -1.017 60.303 61.300 0.033 0.000 1.397 481 I CB 0.617 38.629 38.000 0.021 0.000 1.414 481 I HN 0.084 nan 8.210 nan 0.000 0.566 482 L N 3.917 125.163 121.223 0.040 0.000 2.475 482 L HA 0.331 4.670 4.340 -0.002 0.000 0.253 482 L C 1.879 178.760 176.870 0.017 0.000 1.198 482 L CA 0.035 54.908 54.840 0.055 0.000 0.814 482 L CB 0.528 42.637 42.059 0.083 0.000 1.134 482 L HN 0.913 nan 8.230 nan 0.000 0.478 483 G N -0.690 108.138 108.800 0.047 0.000 2.440 483 G HA2 -0.244 3.715 3.960 -0.002 0.000 0.218 483 G HA3 -0.244 3.715 3.960 -0.002 0.000 0.218 483 G C 1.039 175.856 174.900 -0.139 0.000 1.154 483 G CA 0.674 45.745 45.100 -0.049 0.000 0.767 483 G HN 0.759 nan 8.290 nan 0.000 0.552 484 D N 0.676 121.144 120.400 0.113 0.000 2.117 484 D HA -0.066 4.573 4.640 -0.002 0.000 0.197 484 D C 2.410 178.749 176.300 0.066 0.000 0.987 484 D CA 0.952 55.051 54.000 0.164 0.000 0.829 484 D CB -0.201 40.725 40.800 0.210 0.000 0.961 484 D HN 0.479 nan 8.370 nan 0.000 0.460 485 E N 0.152 120.366 120.200 0.024 0.000 2.274 485 E HA -0.130 4.218 4.350 -0.002 0.000 0.194 485 E C 1.371 177.962 176.600 -0.015 0.000 0.996 485 E CA 0.523 56.928 56.400 0.009 0.000 0.840 485 E CB 0.164 29.874 29.700 0.017 0.000 0.772 485 E HN 0.172 nan 8.360 nan 0.000 0.491 486 D N 0.063 120.408 120.400 -0.091 0.000 2.137 486 D HA -0.103 4.536 4.640 -0.002 0.000 0.202 486 D C 1.497 177.775 176.300 -0.037 0.000 0.970 486 D CA 1.205 55.138 54.000 -0.113 0.000 0.837 486 D CB 0.100 40.759 40.800 -0.234 0.000 0.981 486 D HN 0.297 nan 8.370 nan 0.000 0.475 487 H N -1.002 118.129 119.070 0.101 0.000 2.436 487 H HA 0.187 4.741 4.556 -0.002 0.000 0.294 487 H C 1.576 176.968 175.328 0.107 0.000 1.048 487 H CA 0.569 56.687 56.048 0.116 0.000 1.353 487 H CB 0.447 30.298 29.762 0.149 0.000 1.414 487 H HN 0.128 nan 8.280 nan 0.000 0.536 488 L N -0.045 121.273 121.223 0.158 0.000 2.590 488 L HA 0.235 4.574 4.340 -0.002 0.000 0.227 488 L C 1.534 178.426 176.870 0.036 0.000 1.099 488 L CA -0.241 54.637 54.840 0.063 0.000 0.872 488 L CB 0.403 42.444 42.059 -0.031 0.000 1.088 488 L HN 0.165 nan 8.230 nan 0.000 0.479 489 G N -0.742 108.085 108.800 0.046 0.000 2.510 489 G HA2 0.104 4.063 3.960 -0.002 0.000 0.280 489 G HA3 0.104 4.063 3.960 -0.002 0.000 0.280 489 G C -0.098 174.831 174.900 0.048 0.000 1.386 489 G CA -0.202 44.919 45.100 0.034 0.000 1.047 489 G HN -0.022 nan 8.290 nan 0.000 0.527 490 D N -0.865 119.560 120.400 0.042 0.000 2.407 490 D HA 0.157 4.795 4.640 -0.002 0.000 0.208 490 D C 0.916 177.246 176.300 0.050 0.000 1.083 490 D CA 0.469 54.494 54.000 0.043 0.000 0.844 490 D CB 0.465 41.282 40.800 0.028 0.000 0.967 490 D HN 0.470 nan 8.370 nan 0.000 0.506 491 M N -1.370 118.265 119.600 0.059 0.000 2.682 491 M HA 0.472 4.951 4.480 -0.002 0.000 0.272 491 M C -2.159 174.193 176.300 0.086 0.000 1.232 491 M CA -0.837 54.511 55.300 0.080 0.000 0.849 491 M CB 3.106 35.773 32.600 0.111 0.000 1.695 491 M HN -0.430 nan 8.290 nan 0.000 0.481 492 D N 1.707 122.160 120.400 0.089 0.000 2.471 492 D HA 0.505 5.144 4.640 -0.002 0.000 0.245 492 D C -2.216 174.147 176.300 0.104 0.000 1.116 492 D CA 0.034 54.083 54.000 0.081 0.000 0.853 492 D CB 1.489 42.310 40.800 0.036 0.000 1.123 492 D HN 0.613 nan 8.370 nan 0.000 0.540 493 F N 3.535 123.472 119.950 -0.023 0.000 2.434 493 F HA 0.370 4.895 4.527 -0.002 0.000 0.367 493 F C -0.374 175.410 175.800 -0.027 0.000 1.093 493 F CA -0.766 57.218 58.000 -0.026 0.000 1.085 493 F CB 0.660 39.646 39.000 -0.024 0.000 1.322 493 F HN -0.038 nan 8.300 nan 0.000 0.452 494 K N 4.936 125.302 120.400 -0.056 0.000 2.213 494 K HA 0.692 5.011 4.320 -0.002 0.000 0.270 494 K C -1.269 175.306 176.600 -0.043 0.000 1.002 494 K CA -0.806 55.469 56.287 -0.020 0.000 0.868 494 K CB 2.374 34.827 32.500 -0.078 0.000 1.093 494 K HN 0.283 nan 8.250 nan 0.000 0.454 495 V N 1.809 121.746 119.914 0.039 0.000 2.531 495 V HA 0.696 4.814 4.120 -0.002 0.000 0.301 495 V C -0.733 175.370 176.094 0.015 0.000 1.034 495 V CA -0.937 61.383 62.300 0.033 0.000 0.865 495 V CB 1.586 33.477 31.823 0.112 0.000 0.995 495 V HN 0.908 nan 8.190 nan 0.000 0.424 496 A N 2.998 125.812 122.820 -0.011 0.000 2.401 496 A HA 1.084 5.403 4.320 -0.002 0.000 0.310 496 A C 0.043 177.620 177.584 -0.011 0.000 1.075 496 A CA -0.059 51.968 52.037 -0.016 0.000 0.746 496 A CB 2.089 21.066 19.000 -0.039 0.000 1.277 496 A HN 1.757 nan 8.150 nan 0.000 0.425 497 G N -0.449 108.346 108.800 -0.008 0.000 2.313 497 G HA2 0.587 4.546 3.960 -0.002 0.000 0.296 497 G HA3 0.587 4.546 3.960 -0.002 0.000 0.296 497 G C -0.218 174.679 174.900 -0.005 0.000 1.356 497 G CA 0.226 45.322 45.100 -0.006 0.000 0.833 497 G HN 1.726 nan 8.290 nan 0.000 0.552 498 S N -0.636 115.061 115.700 -0.005 0.000 2.607 498 S HA 0.433 4.901 4.470 -0.002 0.000 0.272 498 S C 1.388 175.989 174.600 0.003 0.000 1.166 498 S CA -0.199 57.998 58.200 -0.005 0.000 1.021 498 S CB 1.032 64.226 63.200 -0.009 0.000 1.113 498 S HN 0.694 nan 8.310 nan 0.000 0.531 499 R N 0.364 120.865 120.500 0.003 0.000 2.189 499 R HA 0.014 4.353 4.340 -0.002 0.000 0.223 499 R C 0.465 176.769 176.300 0.008 0.000 1.092 499 R CA 1.324 57.429 56.100 0.008 0.000 0.989 499 R CB -0.298 30.006 30.300 0.006 0.000 0.876 499 R HN 0.639 nan 8.270 nan 0.000 0.457 500 D N -1.028 119.374 120.400 0.004 0.000 2.398 500 D HA 0.181 4.820 4.640 -0.002 0.000 0.210 500 D C 0.635 176.937 176.300 0.003 0.000 1.094 500 D CA 0.462 54.465 54.000 0.004 0.000 0.839 500 D CB 1.390 42.191 40.800 0.002 0.000 0.963 500 D HN 0.261 nan 8.370 nan 0.000 0.506 501 G N 0.161 108.963 108.800 0.002 0.000 2.322 501 G HA2 0.362 4.321 3.960 -0.002 0.000 0.295 501 G HA3 0.362 4.321 3.960 -0.002 0.000 0.295 501 G C -1.654 173.245 174.900 -0.002 0.000 1.369 501 G CA -0.915 44.185 45.100 -0.000 0.000 0.821 501 G HN -0.004 nan 8.290 nan 0.000 0.536 502 I N 1.652 122.218 120.570 -0.006 0.000 2.331 502 I HA 0.259 4.428 4.170 -0.002 0.000 0.292 502 I C 1.535 177.643 176.117 -0.015 0.000 0.998 502 I CA -0.284 61.012 61.300 -0.008 0.000 1.267 502 I CB 1.944 39.941 38.000 -0.006 0.000 1.386 502 I HN 0.618 nan 8.210 nan 0.000 0.476 503 S N 4.290 119.981 115.700 -0.016 0.000 2.456 503 S HA 0.391 4.859 4.470 -0.002 0.000 0.224 503 S C 0.656 175.240 174.600 -0.026 0.000 1.035 503 S CA 0.085 58.275 58.200 -0.018 0.000 0.940 503 S CB 0.377 63.568 63.200 -0.015 0.000 0.799 503 S HN 0.697 nan 8.310 nan 0.000 0.508 504 A N 0.609 123.406 122.820 -0.037 0.000 2.488 504 A HA 0.747 5.066 4.320 -0.002 0.000 0.298 504 A C -1.677 175.864 177.584 -0.070 0.000 1.044 504 A CA -0.644 51.360 52.037 -0.056 0.000 0.693 504 A CB 1.586 20.544 19.000 -0.069 0.000 1.272 504 A HN 0.520 nan 8.150 nan 0.000 0.402 505 L N 1.121 122.288 121.223 -0.095 0.000 2.406 505 L HA 0.697 5.036 4.340 -0.002 0.000 0.272 505 L C -0.643 176.109 176.870 -0.197 0.000 0.980 505 L CA 0.097 54.849 54.840 -0.147 0.000 0.831 505 L CB 1.904 43.881 42.059 -0.136 0.000 1.253 505 L HN 0.813 nan 8.230 nan 0.000 0.406 506 Q N 5.200 124.843 119.800 -0.262 0.000 2.323 506 Q HA 0.666 5.005 4.340 -0.002 0.000 0.271 506 Q C -1.802 173.975 176.000 -0.371 0.000 1.048 506 Q CA -0.621 55.031 55.803 -0.251 0.000 0.792 506 Q CB 2.027 30.664 28.738 -0.168 0.000 1.280 506 Q HN 0.781 nan 8.270 nan 0.000 0.441 507 M N 2.691 122.097 119.600 -0.324 0.000 2.393 507 M HA 0.458 4.937 4.480 -0.002 0.000 0.316 507 M C -1.346 174.877 176.300 -0.128 0.000 1.087 507 M CA -0.656 54.458 55.300 -0.310 0.000 0.937 507 M CB 2.056 34.449 32.600 -0.346 0.000 1.668 507 M HN 0.385 nan 8.290 nan 0.000 0.438 508 D N 4.586 124.951 120.400 -0.057 0.000 2.389 508 D HA 0.435 5.073 4.640 -0.002 0.000 0.256 508 D C -1.046 175.271 176.300 0.028 0.000 1.239 508 D CA -0.108 53.888 54.000 -0.006 0.000 0.925 508 D CB 1.563 42.370 40.800 0.011 0.000 1.145 508 D HN 0.463 nan 8.370 nan 0.000 0.542 509 I N 1.471 122.055 120.570 0.023 0.000 2.331 509 I HA 0.195 4.364 4.170 -0.002 0.000 0.292 509 I C 1.538 177.675 176.117 0.033 0.000 0.998 509 I CA -0.400 60.920 61.300 0.033 0.000 1.267 509 I CB 1.651 39.661 38.000 0.017 0.000 1.386 509 I HN -0.070 nan 8.210 nan 0.000 0.476 510 K N 6.039 126.465 120.400 0.043 0.000 2.374 510 K HA 0.293 4.611 4.320 -0.002 0.000 0.196 510 K C 0.074 176.693 176.600 0.032 0.000 1.023 510 K CA 0.300 56.618 56.287 0.051 0.000 1.103 510 K CB 0.144 32.688 32.500 0.073 0.000 0.848 510 K HN 0.605 nan 8.250 nan 0.000 0.528 511 I N -2.729 117.849 120.570 0.013 0.000 2.846 511 I HA 0.381 4.550 4.170 -0.002 0.000 0.307 511 I C -0.461 175.640 176.117 -0.026 0.000 1.053 511 I CA -1.116 60.182 61.300 -0.004 0.000 1.050 511 I CB 1.798 39.797 38.000 -0.002 0.000 1.239 511 I HN -0.215 nan 8.210 nan 0.000 0.439 512 E N 1.693 121.869 120.200 -0.039 0.000 2.318 512 E HA 0.424 4.773 4.350 -0.002 0.000 0.265 512 E C 0.488 177.060 176.600 -0.047 0.000 1.069 512 E CA 0.217 56.586 56.400 -0.052 0.000 0.893 512 E CB 1.180 30.841 29.700 -0.065 0.000 1.076 512 E HN 1.099 nan 8.360 nan 0.000 0.414 513 G N 2.014 110.782 108.800 -0.053 0.000 2.142 513 G HA2 -0.268 3.690 3.960 -0.002 0.000 0.225 513 G HA3 -0.268 3.690 3.960 -0.002 0.000 0.225 513 G C 0.079 174.936 174.900 -0.071 0.000 1.015 513 G CA 0.013 45.081 45.100 -0.053 0.000 0.716 513 G HN 0.500 nan 8.290 nan 0.000 0.508 514 I N 0.899 121.420 120.570 -0.083 0.000 2.696 514 I HA 0.489 4.658 4.170 -0.002 0.000 0.284 514 I C 0.619 176.662 176.117 -0.122 0.000 1.129 514 I CA 0.359 61.596 61.300 -0.105 0.000 1.410 514 I CB 0.879 38.831 38.000 -0.080 0.000 1.399 514 I HN 0.138 nan 8.210 nan 0.000 0.579 515 T N 6.280 120.744 114.554 -0.150 0.000 2.908 515 T HA 0.199 4.548 4.350 -0.002 0.000 0.290 515 T C 0.766 175.394 174.700 -0.120 0.000 1.034 515 T CA -0.717 61.303 62.100 -0.134 0.000 1.010 515 T CB 2.010 70.788 68.868 -0.149 0.000 1.068 515 T HN 0.605 nan 8.240 nan 0.000 0.481 516 K N 1.189 121.540 120.400 -0.080 0.000 2.063 516 K HA -0.167 4.152 4.320 -0.002 0.000 0.208 516 K C 1.992 178.559 176.600 -0.056 0.000 1.048 516 K CA 1.717 57.973 56.287 -0.052 0.000 0.928 516 K CB 0.015 32.502 32.500 -0.022 0.000 0.713 516 K HN 0.735 nan 8.250 nan 0.000 0.442 517 E N 0.591 120.751 120.200 -0.065 0.000 2.085 517 E HA -0.204 4.144 4.350 -0.002 0.000 0.194 517 E C 2.026 178.557 176.600 -0.115 0.000 0.994 517 E CA 1.371 57.737 56.400 -0.055 0.000 0.801 517 E CB -0.099 29.590 29.700 -0.018 0.000 0.743 517 E HN 0.363 nan 8.360 nan 0.000 0.453 518 I N 0.531 120.950 120.570 -0.251 0.000 2.179 518 I HA -0.298 3.871 4.170 -0.002 0.000 0.242 518 I C 2.623 178.582 176.117 -0.264 0.000 1.088 518 I CA 1.114 62.183 61.300 -0.385 0.000 1.357 518 I CB -0.206 37.460 38.000 -0.558 0.000 1.051 518 I HN 0.228 nan 8.210 nan 0.000 0.409 519 M N -0.379 119.118 119.600 -0.172 0.000 2.358 519 M HA -0.225 4.254 4.480 -0.002 0.000 0.264 519 M C 2.262 178.503 176.300 -0.099 0.000 1.064 519 M CA 1.503 56.740 55.300 -0.105 0.000 1.093 519 M CB -0.280 32.366 32.600 0.077 0.000 1.401 519 M HN 0.335 nan 8.290 nan 0.000 0.440 520 Q N 0.053 119.806 119.800 -0.079 0.000 2.165 520 Q HA -0.072 4.266 4.340 -0.002 0.000 0.197 520 Q C 1.960 177.925 176.000 -0.057 0.000 0.952 520 Q CA 0.780 56.560 55.803 -0.039 0.000 0.848 520 Q CB 0.332 29.062 28.738 -0.013 0.000 0.931 520 Q HN 0.309 nan 8.270 nan 0.000 0.470 521 V N 1.445 121.320 119.914 -0.064 0.000 2.324 521 V HA -0.325 3.794 4.120 -0.002 0.000 0.250 521 V C 2.394 178.417 176.094 -0.117 0.000 1.060 521 V CA 1.994 64.266 62.300 -0.048 0.000 1.042 521 V CB -1.137 30.702 31.823 0.027 0.000 0.650 521 V HN 0.500 nan 8.190 nan 0.000 0.450 522 A N -0.445 122.220 122.820 -0.258 0.000 1.902 522 A HA -0.163 4.156 4.320 -0.002 0.000 0.217 522 A C 2.235 179.652 177.584 -0.278 0.000 1.181 522 A CA 1.899 53.670 52.037 -0.443 0.000 0.623 522 A CB -0.536 17.800 19.000 -1.107 0.000 0.818 522 A HN 0.500 nan 8.150 nan 0.000 0.443 523 L N -0.621 120.508 121.223 -0.156 0.000 2.056 523 L HA -0.187 4.152 4.340 -0.002 0.000 0.207 523 L C 2.522 179.399 176.870 0.012 0.000 1.078 523 L CA 1.655 56.510 54.840 0.024 0.000 0.749 523 L CB -0.473 41.635 42.059 0.082 0.000 0.901 523 L HN 0.589 nan 8.230 nan 0.000 0.433 524 N N -0.192 118.501 118.700 -0.012 0.000 2.142 524 N HA -0.259 4.480 4.740 -0.002 0.000 0.186 524 N C 1.906 177.414 175.510 -0.003 0.000 1.023 524 N CA 1.254 54.303 53.050 -0.002 0.000 0.852 524 N CB -0.029 38.456 38.487 -0.004 0.000 0.998 524 N HN 0.240 nan 8.380 nan 0.000 0.424 525 Q N -0.734 119.053 119.800 -0.022 0.000 2.224 525 Q HA -0.032 4.307 4.340 -0.002 0.000 0.203 525 Q C 1.734 177.734 176.000 -0.001 0.000 0.970 525 Q CA 1.285 57.077 55.803 -0.018 0.000 0.865 525 Q CB -0.162 28.554 28.738 -0.037 0.000 0.922 525 Q HN 0.524 nan 8.270 nan 0.000 0.445 526 A N 1.009 123.832 122.820 0.005 0.000 1.929 526 A HA -0.162 4.157 4.320 -0.002 0.000 0.216 526 A C 1.987 179.600 177.584 0.049 0.000 1.176 526 A CA 1.368 53.429 52.037 0.041 0.000 0.628 526 A CB -0.413 18.636 19.000 0.080 0.000 0.816 526 A HN 0.333 nan 8.150 nan 0.000 0.444 527 K N -0.447 119.977 120.400 0.040 0.000 2.026 527 K HA -0.118 4.200 4.320 -0.002 0.000 0.208 527 K C 2.028 178.654 176.600 0.043 0.000 1.048 527 K CA 1.439 57.750 56.287 0.039 0.000 0.929 527 K CB -0.529 31.989 32.500 0.031 0.000 0.713 527 K HN 0.378 nan 8.250 nan 0.000 0.439 528 G N 0.326 109.149 108.800 0.037 0.000 2.422 528 G HA2 -0.247 3.712 3.960 -0.002 0.000 0.218 528 G HA3 -0.247 3.712 3.960 -0.002 0.000 0.218 528 G C 1.544 176.486 174.900 0.069 0.000 1.146 528 G CA 0.916 46.042 45.100 0.043 0.000 0.769 528 G HN 0.446 nan 8.290 nan 0.000 0.547 529 A N 1.584 124.443 122.820 0.065 0.000 1.902 529 A HA -0.049 4.270 4.320 -0.002 0.000 0.217 529 A C 2.373 180.036 177.584 0.132 0.000 1.181 529 A CA 1.942 54.035 52.037 0.093 0.000 0.623 529 A CB -0.397 18.646 19.000 0.073 0.000 0.818 529 A HN 0.517 nan 8.150 nan 0.000 0.443 530 R N -0.354 120.203 120.500 0.096 0.000 2.153 530 R HA 0.163 4.502 4.340 -0.002 0.000 0.218 530 R C 1.657 178.003 176.300 0.076 0.000 1.072 530 R CA 1.195 57.344 56.100 0.082 0.000 0.990 530 R CB -0.591 29.741 30.300 0.054 0.000 0.889 530 R HN 0.413 nan 8.270 nan 0.000 0.452 531 L N 0.389 121.660 121.223 0.081 0.000 2.141 531 L HA -0.111 4.228 4.340 -0.002 0.000 0.209 531 L C 2.643 179.569 176.870 0.093 0.000 1.094 531 L CA 1.583 56.465 54.840 0.071 0.000 0.763 531 L CB -0.531 41.566 42.059 0.064 0.000 0.908 531 L HN 0.346 nan 8.230 nan 0.000 0.437 532 H N 0.303 119.395 119.070 0.038 0.000 2.357 532 H HA -0.105 4.449 4.556 -0.002 0.000 0.301 532 H C 2.157 177.521 175.328 0.060 0.000 1.082 532 H CA 1.681 57.754 56.048 0.042 0.000 1.342 532 H CB 0.052 29.838 29.762 0.040 0.000 1.389 532 H HN 0.176 nan 8.280 nan 0.000 0.511 533 I N -0.082 120.510 120.570 0.037 0.000 2.252 533 I HA -0.235 3.933 4.170 -0.002 0.000 0.245 533 I C 2.168 178.291 176.117 0.010 0.000 1.102 533 I CA 0.931 62.252 61.300 0.034 0.000 1.385 533 I CB -0.199 37.894 38.000 0.154 0.000 1.064 533 I HN 0.263 nan 8.210 nan 0.000 0.414 534 L N 0.384 121.613 121.223 0.011 0.000 2.083 534 L HA -0.136 4.203 4.340 -0.002 0.000 0.209 534 L C 2.664 179.525 176.870 -0.015 0.000 1.083 534 L CA 1.506 56.347 54.840 0.002 0.000 0.752 534 L CB -1.045 41.018 42.059 0.007 0.000 0.899 534 L HN 0.322 nan 8.230 nan 0.000 0.433 535 G N -0.520 108.257 108.800 -0.040 0.000 2.422 535 G HA2 -0.190 3.769 3.960 -0.002 0.000 0.218 535 G HA3 -0.190 3.769 3.960 -0.002 0.000 0.218 535 G C 1.540 176.403 174.900 -0.062 0.000 1.146 535 G CA 0.992 46.063 45.100 -0.048 0.000 0.769 535 G HN 0.228 nan 8.290 nan 0.000 0.547 536 V N 0.776 120.628 119.914 -0.103 0.000 2.453 536 V HA -0.108 4.010 4.120 -0.002 0.000 0.247 536 V C 2.824 178.916 176.094 -0.003 0.000 1.048 536 V CA 1.794 64.052 62.300 -0.070 0.000 1.049 536 V CB -0.392 31.367 31.823 -0.106 0.000 0.672 536 V HN 0.341 nan 8.190 nan 0.000 0.457 537 M N -0.383 119.231 119.600 0.024 0.000 2.159 537 M HA -0.189 4.290 4.480 -0.002 0.000 0.263 537 M C 2.189 178.502 176.300 0.020 0.000 1.063 537 M CA 1.777 57.105 55.300 0.047 0.000 1.110 537 M CB -0.432 32.196 32.600 0.047 0.000 1.374 537 M HN 0.354 nan 8.290 nan 0.000 0.411 538 E N -0.018 120.185 120.200 0.004 0.000 2.110 538 E HA -0.217 4.132 4.350 -0.002 0.000 0.193 538 E C 2.058 178.659 176.600 0.001 0.000 0.988 538 E CA 1.025 57.425 56.400 -0.000 0.000 0.804 538 E CB -0.074 29.623 29.700 -0.004 0.000 0.745 538 E HN 0.577 nan 8.360 nan 0.000 0.458 539 Q N 0.045 119.845 119.800 -0.001 0.000 2.096 539 Q HA -0.177 4.162 4.340 -0.002 0.000 0.204 539 Q C 2.175 178.178 176.000 0.005 0.000 0.982 539 Q CA 1.395 57.198 55.803 -0.000 0.000 0.850 539 Q CB -0.123 28.612 28.738 -0.004 0.000 0.901 539 Q HN 0.233 nan 8.270 nan 0.000 0.422 540 A N 0.458 123.285 122.820 0.011 0.000 1.840 540 A HA 0.074 4.392 4.320 -0.002 0.000 0.214 540 A C 1.150 178.742 177.584 0.012 0.000 1.198 540 A CA 0.675 52.722 52.037 0.016 0.000 0.608 540 A CB 0.190 19.208 19.000 0.030 0.000 0.839 540 A HN 0.372 nan 8.150 nan 0.000 0.443 541 I N -0.963 119.615 120.570 0.012 0.000 2.644 541 I HA 0.310 4.479 4.170 -0.002 0.000 0.291 541 I C -0.962 175.154 176.117 -0.001 0.000 1.180 541 I CA -0.721 60.582 61.300 0.005 0.000 1.040 541 I CB 1.982 39.986 38.000 0.006 0.000 1.255 541 I HN 0.348 nan 8.210 nan 0.000 0.422 542 N N 5.548 124.245 118.700 -0.006 0.000 2.159 542 N HA 0.534 5.273 4.740 -0.002 0.000 0.217 542 N C -0.543 174.957 175.510 -0.017 0.000 1.223 542 N CA 0.024 53.068 53.050 -0.010 0.000 0.896 542 N CB 1.370 39.853 38.487 -0.007 0.000 1.064 542 N HN 0.531 nan 8.380 nan 0.000 0.518 543 A N -0.149 122.659 122.820 -0.020 0.000 2.610 543 A HA 0.715 5.034 4.320 -0.002 0.000 0.291 543 A C -2.904 174.660 177.584 -0.034 0.000 1.086 543 A CA -1.077 50.943 52.037 -0.029 0.000 0.677 543 A CB 0.321 19.308 19.000 -0.023 0.000 1.278 543 A HN 0.008 nan 8.150 nan 0.000 0.414 544 P HA 0.000 nan 4.420 nan 0.000 0.216 544 P CA 0.000 63.067 63.100 -0.055 0.000 0.800 544 P CB 0.000 31.651 31.700 -0.082 0.000 0.726