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 2qub_1_E DATA FIRST_RESID -1 DATA SEQUENCE SHMGIFSYKD LDENASKALF SDALAISTYA YHNIDNGFDE GYHQTGFGLG DATA SEQUENCE LPLTLITALI GSTQSQGGLP GLPWNPDSEQ AAQEAVNNAG WSVISATQLG DATA SEQUENCE YAGKTDARGT YYGETAGYTT AQAEVLGKYD SEGNLTAIGI SFRGTSGPRE DATA SEQUENCE SLIGDTIGDV INDLLAGFGP KGYADGYTLK AFGNLLGDVA KFAQAHGLSG DATA SEQUENCE EDVVVSGHSL GGLAVNSMAA QSDANWGGFY AQSNYVAFAS PTQYEAGGKV DATA SEQUENCE INIGYENDPV FRALDGTSLT LPSLGVHDAP HTSATNNIVN FNDHYASDAW DATA SEQUENCE NLLPFSILNI PTWLSHLPFF YQDGLMRVLN SEFYSLTDKD STIIVSNLSN DATA SEQUENCE VTRGNTWVED LNRNAETHSG PTFIIGSDGN DLIKGGKGND YLEGRDGDDI DATA SEQUENCE FRDAGGYNLI AGGKGHNIFD TQQALKNTEV AYDGNTLYLR DAKGGITLAD DATA SEQUENCE DISTLRSKET SWLIFNKEVD HQVTAAGLKS DSGLKAYAAA TGGDGDDVLQ DATA SEQUENCE ARSHDAWLFG NAGNDTLIGH AGGNLTFVGG SGDDILKGVG NGNTFLFSGD DATA SEQUENCE FGRDQLYGFN ASDKLVFIGT EGASGNIRDY ATQQNDDLVL AFGHSQVTLI DATA SEQUENCE GVSLDHISTD QVVLA 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 S HA 0.000 nan 4.470 nan 0.000 0.327 -1 S C 0.000 174.478 174.600 -0.203 0.000 1.055 -1 S CA 0.000 58.070 58.200 -0.216 0.000 1.107 -1 S CB 0.000 63.130 63.200 -0.117 0.000 0.593 0 H N 5.132 124.183 119.070 -0.031 0.000 2.848 0 H HA 0.280 4.837 4.556 0.000 0.000 0.341 0 H C 0.731 176.015 175.328 -0.074 0.000 1.060 0 H CA 0.017 56.026 56.048 -0.065 0.000 1.444 0 H CB 0.703 30.416 29.762 -0.082 0.000 1.446 0 H HN 0.576 nan 8.280 nan 0.000 0.583 1 M N 1.084 120.702 119.600 0.030 0.000 2.300 1 M HA 0.183 4.663 4.480 0.000 0.000 0.313 1 M C 0.734 177.000 176.300 -0.057 0.000 0.988 1 M CA 0.156 55.459 55.300 0.004 0.000 1.012 1 M CB 0.438 33.047 32.600 0.015 0.000 1.586 1 M HN 0.869 nan 8.290 nan 0.000 0.562 2 G N 1.538 110.190 108.800 -0.247 0.000 2.712 2 G HA2 -0.164 3.797 3.960 0.000 0.000 0.686 2 G HA3 -0.164 3.797 3.960 0.000 0.000 0.686 2 G C 0.288 174.869 174.900 -0.533 0.000 1.181 2 G CA -0.275 44.415 45.100 -0.682 0.000 0.762 2 G HN 0.376 nan 8.290 nan 0.000 0.641 3 I N 0.271 120.333 120.570 -0.847 0.000 2.361 3 I HA 0.016 4.186 4.170 0.000 0.000 0.251 3 I C 1.600 177.512 176.117 -0.342 0.000 1.133 3 I CA 1.313 62.238 61.300 -0.625 0.000 1.413 3 I CB -0.113 37.373 38.000 -0.857 0.000 1.073 3 I HN 0.410 nan 8.210 nan 0.000 0.424 4 F N 0.680 120.622 119.950 -0.014 0.000 2.713 4 F HA 0.296 4.824 4.527 0.000 0.000 0.294 4 F C 1.228 177.111 175.800 0.138 0.000 1.152 4 F CA -0.560 57.456 58.000 0.027 0.000 1.385 4 F CB -1.281 37.597 39.000 -0.203 0.000 0.981 4 F HN -0.129 nan 8.300 nan 0.000 0.514 5 S N 0.682 116.517 115.700 0.225 0.000 2.558 5 S HA 0.093 4.564 4.470 0.000 0.000 0.288 5 S C -0.918 173.847 174.600 0.275 0.000 1.318 5 S CA 0.076 58.402 58.200 0.209 0.000 1.056 5 S CB 0.192 63.452 63.200 0.100 0.000 0.853 5 S HN 0.332 nan 8.310 nan 0.000 0.505 6 Y N 4.860 125.230 120.300 0.118 0.000 2.373 6 Y HA 0.418 4.969 4.550 0.000 0.000 0.336 6 Y C 0.407 176.354 175.900 0.079 0.000 0.979 6 Y CA -0.568 57.595 58.100 0.106 0.000 1.080 6 Y CB 0.720 39.252 38.460 0.120 0.000 1.190 6 Y HN 1.026 nan 8.280 nan 0.000 0.446 7 K N 1.319 121.445 120.400 -0.457 0.000 1.824 7 K HA -0.292 4.028 4.320 0.000 0.000 0.120 7 K C -0.023 176.503 176.600 -0.123 0.000 1.268 7 K CA 2.190 58.265 56.287 -0.354 0.000 0.420 7 K CB -0.826 31.383 32.500 -0.485 0.000 0.586 7 K HN 0.887 nan 8.250 nan 0.000 0.907 8 D N 1.343 121.697 120.400 -0.076 0.000 2.501 8 D HA 0.170 4.810 4.640 0.000 0.000 0.226 8 D C 0.274 176.586 176.300 0.021 0.000 1.198 8 D CA -0.023 53.965 54.000 -0.021 0.000 0.830 8 D CB -0.261 40.525 40.800 -0.023 0.000 1.014 8 D HN 0.238 nan 8.370 nan 0.000 0.496 9 L N 1.406 122.663 121.223 0.057 0.000 2.452 9 L HA 0.148 4.488 4.340 0.000 0.000 0.267 9 L C 0.739 177.658 176.870 0.082 0.000 1.188 9 L CA -0.517 54.378 54.840 0.092 0.000 0.821 9 L CB 0.379 42.534 42.059 0.160 0.000 1.102 9 L HN 0.039 nan 8.230 nan 0.000 0.470 10 D N -0.259 120.185 120.400 0.075 0.000 2.377 10 D HA -0.002 4.639 4.640 0.000 0.000 0.245 10 D C 0.722 177.078 176.300 0.094 0.000 1.196 10 D CA -0.563 53.479 54.000 0.070 0.000 0.962 10 D CB 0.644 41.477 40.800 0.055 0.000 1.127 10 D HN 0.604 nan 8.370 nan 0.000 0.471 11 E N -0.403 119.854 120.200 0.095 0.000 2.085 11 E HA -0.277 4.074 4.350 0.000 0.000 0.194 11 E C 1.276 177.950 176.600 0.124 0.000 0.994 11 E CA 1.161 57.639 56.400 0.130 0.000 0.801 11 E CB -0.000 29.778 29.700 0.130 0.000 0.743 11 E HN 0.377 nan 8.360 nan 0.000 0.453 12 N N 0.105 118.857 118.700 0.087 0.000 2.244 12 N HA -0.108 4.632 4.740 0.000 0.000 0.183 12 N C 1.490 177.044 175.510 0.073 0.000 1.016 12 N CA 1.162 54.252 53.050 0.066 0.000 0.866 12 N CB -0.300 38.216 38.487 0.047 0.000 0.980 12 N HN 0.259 nan 8.380 nan 0.000 0.430 13 A N 0.650 123.521 122.820 0.084 0.000 1.898 13 A HA -0.104 4.216 4.320 0.000 0.000 0.216 13 A C 2.384 180.041 177.584 0.123 0.000 1.181 13 A CA 1.892 53.983 52.037 0.091 0.000 0.620 13 A CB -0.717 18.335 19.000 0.088 0.000 0.819 13 A HN 0.436 nan 8.150 nan 0.000 0.442 14 S N 0.091 115.884 115.700 0.156 0.000 2.402 14 S HA -0.135 4.335 4.470 0.000 0.000 0.229 14 S C 1.809 176.538 174.600 0.214 0.000 1.021 14 S CA 1.318 59.643 58.200 0.208 0.000 0.974 14 S CB -0.331 63.020 63.200 0.252 0.000 0.800 14 S HN 0.597 nan 8.310 nan 0.000 0.484 15 K N 1.752 122.248 120.400 0.159 0.000 2.057 15 K HA 0.088 4.408 4.320 0.000 0.000 0.207 15 K C 2.584 179.273 176.600 0.148 0.000 1.049 15 K CA 1.189 57.539 56.287 0.106 0.000 0.931 15 K CB -0.556 31.913 32.500 -0.051 0.000 0.714 15 K HN 0.480 nan 8.250 nan 0.000 0.440 16 A N 1.608 124.493 122.820 0.109 0.000 1.902 16 A HA -0.158 4.162 4.320 0.000 0.000 0.217 16 A C 2.131 179.786 177.584 0.119 0.000 1.181 16 A CA 1.182 53.278 52.037 0.099 0.000 0.623 16 A CB -0.538 18.502 19.000 0.067 0.000 0.818 16 A HN 0.253 nan 8.150 nan 0.000 0.443 17 L N -1.360 119.934 121.223 0.118 0.000 2.012 17 L HA -0.119 4.222 4.340 0.000 0.000 0.210 17 L C 2.199 179.112 176.870 0.070 0.000 1.073 17 L CA 2.452 57.337 54.840 0.075 0.000 0.748 17 L CB -0.837 41.239 42.059 0.029 0.000 0.891 17 L HN 0.425 nan 8.230 nan 0.000 0.431 18 F N -0.462 119.486 119.950 -0.004 0.000 2.095 18 F HA -0.245 4.282 4.527 0.000 0.000 0.298 18 F C 2.761 178.561 175.800 0.001 0.000 1.104 18 F CA 1.920 59.906 58.000 -0.023 0.000 1.232 18 F CB -0.678 38.309 39.000 -0.022 0.000 0.987 18 F HN 0.213 nan 8.300 nan 0.000 0.475 19 S N 0.002 115.781 115.700 0.133 0.000 2.359 19 S HA -0.223 4.247 4.470 0.000 0.000 0.224 19 S C 1.832 176.411 174.600 -0.035 0.000 1.035 19 S CA 1.815 60.038 58.200 0.038 0.000 1.018 19 S CB -0.624 62.644 63.200 0.113 0.000 0.876 19 S HN 0.493 nan 8.310 nan 0.000 0.448 20 D N 1.244 121.675 120.400 0.051 0.000 2.104 20 D HA -0.044 4.596 4.640 0.000 0.000 0.194 20 D C 2.231 178.440 176.300 -0.152 0.000 0.994 20 D CA 1.366 55.438 54.000 0.120 0.000 0.830 20 D CB -0.681 40.305 40.800 0.310 0.000 0.959 20 D HN 0.475 nan 8.370 nan 0.000 0.452 21 A N 0.821 123.529 122.820 -0.187 0.000 1.877 21 A HA -0.156 4.164 4.320 0.000 0.000 0.216 21 A C 2.173 179.651 177.584 -0.176 0.000 1.186 21 A CA 1.112 53.028 52.037 -0.202 0.000 0.620 21 A CB -0.764 18.140 19.000 -0.160 0.000 0.822 21 A HN 0.242 nan 8.150 nan 0.000 0.443 22 L N -0.332 120.688 121.223 -0.339 0.000 2.093 22 L HA -0.021 4.319 4.340 0.000 0.000 0.208 22 L C 2.648 179.298 176.870 -0.366 0.000 1.085 22 L CA 2.005 56.501 54.840 -0.574 0.000 0.755 22 L CB -0.858 40.709 42.059 -0.821 0.000 0.904 22 L HN 0.358 nan 8.230 nan 0.000 0.435 23 A N 0.323 122.995 122.820 -0.248 0.000 1.858 23 A HA -0.196 4.125 4.320 0.000 0.000 0.216 23 A C 2.241 179.715 177.584 -0.184 0.000 1.190 23 A CA 2.122 54.065 52.037 -0.158 0.000 0.617 23 A CB -1.006 17.962 19.000 -0.054 0.000 0.827 23 A HN 0.651 nan 8.150 nan 0.000 0.443 24 I N -3.290 117.100 120.570 -0.300 0.000 2.439 24 I HA -0.067 4.103 4.170 0.000 0.000 0.251 24 I C 2.292 178.288 176.117 -0.203 0.000 1.139 24 I CA 1.746 62.856 61.300 -0.317 0.000 1.438 24 I CB -0.471 37.176 38.000 -0.588 0.000 1.085 24 I HN 0.239 nan 8.210 nan 0.000 0.427 25 S N 1.317 116.900 115.700 -0.196 0.000 2.356 25 S HA -0.181 4.290 4.470 0.000 0.000 0.223 25 S C 2.021 176.550 174.600 -0.117 0.000 1.032 25 S CA 2.449 60.571 58.200 -0.131 0.000 1.005 25 S CB -0.663 62.493 63.200 -0.072 0.000 0.867 25 S HN 0.637 nan 8.310 nan 0.000 0.449 26 T N 0.580 115.049 114.554 -0.141 0.000 2.708 26 T HA -0.112 4.238 4.350 0.000 0.000 0.266 26 T C 1.485 176.166 174.700 -0.032 0.000 1.037 26 T CA 1.594 63.649 62.100 -0.075 0.000 1.146 26 T CB -0.646 68.154 68.868 -0.114 0.000 0.865 26 T HN 0.602 nan 8.240 nan 0.000 0.435 27 Y N 2.317 122.500 120.300 -0.196 0.000 2.193 27 Y HA -0.127 4.424 4.550 0.001 0.000 0.285 27 Y C 2.447 178.101 175.900 -0.411 0.000 1.166 27 Y CA 0.719 58.653 58.100 -0.277 0.000 1.181 27 Y CB -0.791 37.506 38.460 -0.270 0.000 0.976 27 Y HN 0.196 nan 8.280 nan 0.000 0.520 28 A N -1.025 121.544 122.820 -0.419 0.000 2.076 28 A HA -0.219 4.101 4.320 0.000 0.000 0.220 28 A C 1.682 179.011 177.584 -0.424 0.000 1.160 28 A CA 1.644 53.386 52.037 -0.492 0.000 0.653 28 A CB -1.251 17.531 19.000 -0.363 0.000 0.801 28 A HN 0.643 nan 8.150 nan 0.000 0.455 29 Y N -1.300 118.840 120.300 -0.268 0.000 2.511 29 Y HA 0.039 4.589 4.550 0.000 0.000 0.279 29 Y C 0.674 176.535 175.900 -0.066 0.000 1.157 29 Y CA 0.436 58.459 58.100 -0.127 0.000 1.300 29 Y CB -0.187 38.193 38.460 -0.135 0.000 1.052 29 Y HN 0.544 nan 8.280 nan 0.000 0.529 30 H N 0.405 119.391 119.070 -0.140 0.000 2.655 30 H HA -0.244 4.313 4.556 0.000 0.000 0.313 30 H C 0.262 175.572 175.328 -0.030 0.000 1.141 30 H CA 0.755 56.715 56.048 -0.146 0.000 1.138 30 H CB -1.499 28.159 29.762 -0.173 0.000 1.446 30 H HN 0.439 nan 8.280 nan 0.000 0.415 31 N N -0.991 117.743 118.700 0.056 0.000 2.741 31 N HA -0.211 4.529 4.740 0.000 0.000 0.250 31 N C 1.244 176.784 175.510 0.050 0.000 1.115 31 N CA 0.927 54.003 53.050 0.044 0.000 0.724 31 N CB -1.092 37.419 38.487 0.040 0.000 1.090 31 N HN 0.551 nan 8.380 nan 0.000 0.558 32 I N 1.452 122.066 120.570 0.074 0.000 2.423 32 I HA -0.217 3.953 4.170 0.000 0.000 0.254 32 I C 1.508 177.656 176.117 0.052 0.000 1.151 32 I CA 1.921 63.264 61.300 0.073 0.000 1.421 32 I CB 0.052 38.121 38.000 0.115 0.000 1.079 32 I HN 0.218 nan 8.210 nan 0.000 0.431 33 D N -1.425 118.987 120.400 0.019 0.000 2.358 33 D HA -0.077 4.563 4.640 0.000 0.000 0.224 33 D C 1.401 177.727 176.300 0.042 0.000 1.123 33 D CA -0.019 54.019 54.000 0.062 0.000 0.833 33 D CB -1.410 39.415 40.800 0.042 0.000 0.946 33 D HN 0.477 nan 8.370 nan 0.000 0.505 34 N N 1.063 119.768 118.700 0.009 0.000 2.069 34 N HA -0.160 4.580 4.740 0.000 0.000 0.191 34 N C 1.911 177.400 175.510 -0.036 0.000 1.031 34 N CA 1.590 54.619 53.050 -0.035 0.000 0.852 34 N CB -0.193 38.287 38.487 -0.010 0.000 1.018 34 N HN 0.274 nan 8.380 nan 0.000 0.423 35 G N -0.010 108.802 108.800 0.020 0.000 2.422 35 G HA2 -0.245 3.716 3.960 0.000 0.000 0.218 35 G HA3 -0.245 3.716 3.960 0.000 0.000 0.218 35 G C 1.332 176.250 174.900 0.030 0.000 1.146 35 G CA 0.231 45.346 45.100 0.026 0.000 0.769 35 G HN 0.394 nan 8.290 nan 0.000 0.547 36 F N 1.209 121.130 119.950 -0.048 0.000 2.146 36 F HA -0.056 4.472 4.527 0.000 0.000 0.298 36 F C 2.416 178.097 175.800 -0.200 0.000 1.096 36 F CA 1.502 59.492 58.000 -0.017 0.000 1.275 36 F CB 0.121 39.173 39.000 0.087 0.000 1.008 36 F HN 0.154 nan 8.300 nan 0.000 0.480 37 D N 0.513 120.731 120.400 -0.302 0.000 2.092 37 D HA -0.271 4.369 4.640 0.000 0.000 0.193 37 D C 2.089 178.293 176.300 -0.161 0.000 0.994 37 D CA 1.804 55.280 54.000 -0.874 0.000 0.828 37 D CB -0.375 39.849 40.800 -0.960 0.000 0.963 37 D HN 0.534 nan 8.370 nan 0.000 0.450 38 E N -0.560 119.589 120.200 -0.085 0.000 2.051 38 E HA -0.124 4.226 4.350 0.000 0.000 0.192 38 E C 2.148 178.764 176.600 0.027 0.000 0.991 38 E CA 1.303 57.704 56.400 0.002 0.000 0.799 38 E CB -0.512 29.180 29.700 -0.013 0.000 0.748 38 E HN 0.345 nan 8.360 nan 0.000 0.449 39 G N 0.226 109.014 108.800 -0.021 0.000 2.459 39 G HA2 -0.343 3.618 3.960 0.000 0.000 0.217 39 G HA3 -0.343 3.618 3.960 0.000 0.000 0.217 39 G C 1.419 176.311 174.900 -0.013 0.000 1.183 39 G CA 1.107 46.176 45.100 -0.052 0.000 0.776 39 G HN 0.453 nan 8.290 nan 0.000 0.552 40 Y N 1.332 121.568 120.300 -0.107 0.000 2.128 40 Y HA -0.235 4.315 4.550 0.000 0.000 0.284 40 Y C 2.808 178.690 175.900 -0.030 0.000 1.154 40 Y CA 2.428 60.523 58.100 -0.008 0.000 1.149 40 Y CB -0.615 37.926 38.460 0.134 0.000 0.976 40 Y HN 0.429 nan 8.280 nan 0.000 0.505 41 H N -0.820 118.243 119.070 -0.012 0.000 2.421 41 H HA -0.131 4.426 4.556 0.000 0.000 0.298 41 H C 2.310 177.576 175.328 -0.103 0.000 1.087 41 H CA 1.785 57.774 56.048 -0.099 0.000 1.330 41 H CB -0.055 29.720 29.762 0.021 0.000 1.388 41 H HN 0.480 nan 8.280 nan 0.000 0.526 42 Q N 0.160 119.981 119.800 0.035 0.000 2.123 42 Q HA -0.071 4.269 4.340 0.000 0.000 0.196 42 Q C 1.372 177.362 176.000 -0.016 0.000 0.958 42 Q CA 1.668 57.477 55.803 0.011 0.000 0.841 42 Q CB 0.500 29.246 28.738 0.014 0.000 0.915 42 Q HN 0.554 nan 8.270 nan 0.000 0.455 43 T N -3.891 110.645 114.554 -0.030 0.000 3.003 43 T HA 0.477 4.827 4.350 0.000 0.000 0.261 43 T C 0.811 175.510 174.700 -0.002 0.000 1.003 43 T CA 0.269 62.361 62.100 -0.013 0.000 0.917 43 T CB 0.967 69.833 68.868 -0.004 0.000 1.084 43 T HN 0.519 nan 8.240 nan 0.000 0.522 44 G N 1.662 110.427 108.800 -0.057 0.000 2.553 44 G HA2 -0.143 3.817 3.960 0.000 0.000 0.242 44 G HA3 -0.143 3.817 3.960 0.000 0.000 0.242 44 G C -0.305 174.769 174.900 0.290 0.000 1.277 44 G CA -0.008 45.079 45.100 -0.022 0.000 0.910 44 G HN 0.415 nan 8.290 nan 0.000 0.576 45 F N 2.141 122.208 119.950 0.194 0.000 2.817 45 F HA 0.538 5.066 4.527 0.000 0.000 0.319 45 F C 1.317 177.414 175.800 0.495 0.000 1.136 45 F CA 0.968 59.179 58.000 0.351 0.000 1.177 45 F CB 0.435 39.666 39.000 0.386 0.000 1.088 45 F HN 0.837 nan 8.300 nan 0.000 0.520 46 G N 0.031 109.037 108.800 0.343 0.000 3.306 46 G HA2 0.173 4.134 3.960 0.000 0.000 0.202 46 G HA3 0.173 4.134 3.960 0.000 0.000 0.202 46 G C 1.017 175.973 174.900 0.092 0.000 1.673 46 G CA -0.216 45.021 45.100 0.229 0.000 0.776 46 G HN 0.054 nan 8.290 nan 0.000 0.740 47 L N 1.157 122.411 121.223 0.050 0.000 2.265 47 L HA 0.037 4.377 4.340 0.000 0.000 0.215 47 L C 2.691 179.575 176.870 0.024 0.000 1.117 47 L CA 1.051 55.902 54.840 0.018 0.000 0.782 47 L CB -0.274 41.790 42.059 0.009 0.000 0.914 47 L HN 0.493 nan 8.230 nan 0.000 0.441 48 G N -0.807 108.019 108.800 0.043 0.000 2.985 48 G HA2 -0.072 3.888 3.960 0.000 0.000 0.209 48 G HA3 -0.072 3.888 3.960 0.000 0.000 0.209 48 G C 1.412 176.332 174.900 0.033 0.000 1.165 48 G CA -0.234 44.886 45.100 0.033 0.000 0.776 48 G HN 0.149 nan 8.290 nan 0.000 0.541 49 L N 1.637 122.885 121.223 0.042 0.000 2.042 49 L HA 0.040 4.380 4.340 0.000 0.000 0.210 49 L C -0.027 176.840 176.870 -0.006 0.000 1.076 49 L CA 1.896 56.746 54.840 0.016 0.000 0.749 49 L CB -0.868 41.166 42.059 -0.043 0.000 0.893 49 L HN 0.041 nan 8.230 nan 0.000 0.432 50 P HA -0.183 nan 4.420 nan 0.000 0.215 50 P C 2.100 179.394 177.300 -0.010 0.000 1.153 50 P CA 1.579 64.677 63.100 -0.003 0.000 0.853 50 P CB -0.062 31.638 31.700 0.000 0.000 0.788 51 L N -1.639 119.578 121.223 -0.010 0.000 2.093 51 L HA -0.135 4.205 4.340 0.000 0.000 0.208 51 L C 2.324 179.171 176.870 -0.038 0.000 1.085 51 L CA 1.648 56.478 54.840 -0.016 0.000 0.755 51 L CB -1.662 40.391 42.059 -0.010 0.000 0.904 51 L HN 0.025 nan 8.230 nan 0.000 0.435 52 T N 0.502 115.024 114.554 -0.053 0.000 2.746 52 T HA -0.146 4.205 4.350 0.000 0.000 0.267 52 T C 1.986 176.554 174.700 -0.221 0.000 1.039 52 T CA 1.255 63.277 62.100 -0.130 0.000 1.142 52 T CB -0.198 68.614 68.868 -0.093 0.000 0.866 52 T HN 0.202 nan 8.240 nan 0.000 0.444 53 L N 0.015 121.157 121.223 -0.136 0.000 2.093 53 L HA 0.029 4.369 4.340 0.000 0.000 0.208 53 L C 2.376 179.224 176.870 -0.038 0.000 1.085 53 L CA 0.990 55.775 54.840 -0.091 0.000 0.755 53 L CB -0.509 41.548 42.059 -0.002 0.000 0.904 53 L HN 0.269 nan 8.230 nan 0.000 0.435 54 I N -0.521 120.035 120.570 -0.023 0.000 2.252 54 I HA -0.246 3.925 4.170 0.000 0.000 0.245 54 I C 2.469 178.592 176.117 0.010 0.000 1.102 54 I CA 1.383 62.687 61.300 0.006 0.000 1.385 54 I CB -0.432 37.575 38.000 0.011 0.000 1.064 54 I HN 0.210 nan 8.210 nan 0.000 0.414 55 T N 0.833 115.376 114.554 -0.018 0.000 2.788 55 T HA -0.167 4.183 4.350 0.000 0.000 0.268 55 T C 2.056 176.752 174.700 -0.007 0.000 1.044 55 T CA 1.354 63.449 62.100 -0.009 0.000 1.139 55 T CB -0.339 68.511 68.868 -0.030 0.000 0.867 55 T HN 0.477 nan 8.240 nan 0.000 0.454 56 A N 1.057 123.846 122.820 -0.051 0.000 1.978 56 A HA -0.006 4.314 4.320 0.000 0.000 0.220 56 A C 2.242 179.879 177.584 0.089 0.000 1.170 56 A CA 1.214 53.274 52.037 0.039 0.000 0.636 56 A CB -0.664 18.372 19.000 0.060 0.000 0.810 56 A HN 0.507 nan 8.150 nan 0.000 0.448 57 L N -1.175 120.087 121.223 0.065 0.000 2.168 57 L HA 0.111 4.451 4.340 0.000 0.000 0.203 57 L C 2.126 179.033 176.870 0.062 0.000 1.078 57 L CA 1.331 56.212 54.840 0.069 0.000 0.780 57 L CB -0.239 41.857 42.059 0.063 0.000 0.939 57 L HN 0.629 nan 8.230 nan 0.000 0.451 58 I N -4.154 116.459 120.570 0.072 0.000 4.240 58 I HA 0.493 4.663 4.170 0.000 0.000 0.331 58 I C 1.069 177.255 176.117 0.115 0.000 1.381 58 I CA 0.023 61.381 61.300 0.097 0.000 1.136 58 I CB 0.181 38.279 38.000 0.162 0.000 1.137 58 I HN 0.170 nan 8.210 nan 0.000 0.411 59 G N 2.694 111.545 108.800 0.085 0.000 2.574 59 G HA2 -0.261 3.699 3.960 0.000 0.000 0.282 59 G HA3 -0.261 3.699 3.960 0.000 0.000 0.282 59 G C -0.051 174.930 174.900 0.135 0.000 1.257 59 G CA 0.760 45.909 45.100 0.081 0.000 0.956 59 G HN 1.109 nan 8.290 nan 0.000 0.560 60 S N -4.072 111.717 115.700 0.148 0.000 2.873 60 S HA 0.678 5.148 4.470 0.000 0.000 0.303 60 S C 1.184 175.911 174.600 0.212 0.000 1.222 60 S CA 0.985 59.294 58.200 0.182 0.000 0.923 60 S CB 0.856 64.110 63.200 0.091 0.000 1.286 60 S HN 2.242 nan 8.310 nan 0.000 0.571 61 T N -1.041 113.610 114.554 0.163 0.000 3.085 61 T HA 0.127 4.477 4.350 0.000 0.000 0.263 61 T C 1.089 175.838 174.700 0.081 0.000 1.127 61 T CA 0.898 63.082 62.100 0.140 0.000 1.103 61 T CB -0.484 68.446 68.868 0.104 0.000 0.921 61 T HN 0.593 nan 8.240 nan 0.000 0.510 62 Q N 0.912 120.749 119.800 0.061 0.000 2.317 62 Q HA 0.275 4.616 4.340 0.000 0.000 0.220 62 Q C 0.506 176.519 176.000 0.023 0.000 0.873 62 Q CA 0.027 55.850 55.803 0.033 0.000 0.936 62 Q CB 0.793 29.543 28.738 0.021 0.000 1.105 62 Q HN 0.649 nan 8.270 nan 0.000 0.520 63 S N -0.550 115.169 115.700 0.031 0.000 2.579 63 S HA 0.412 4.882 4.470 0.000 0.000 0.272 63 S C -1.326 173.286 174.600 0.020 0.000 1.141 63 S CA -0.905 57.304 58.200 0.016 0.000 0.843 63 S CB 2.352 65.554 63.200 0.003 0.000 1.122 63 S HN 0.097 nan 8.310 nan 0.000 0.468 64 Q N 0.803 120.608 119.800 0.008 0.000 2.333 64 Q HA 0.587 4.928 4.340 0.000 0.000 0.268 64 Q C 0.330 176.338 176.000 0.014 0.000 1.007 64 Q CA -0.665 55.137 55.803 -0.002 0.000 0.810 64 Q CB 1.352 30.081 28.738 -0.016 0.000 1.264 64 Q HN 0.995 nan 8.270 nan 0.000 0.452 65 G N 1.400 110.212 108.800 0.021 0.000 2.494 65 G HA2 0.277 4.238 3.960 0.000 0.000 0.270 65 G HA3 0.277 4.238 3.960 0.000 0.000 0.270 65 G C 0.699 175.623 174.900 0.041 0.000 1.423 65 G CA -0.046 45.081 45.100 0.044 0.000 1.055 65 G HN 0.790 nan 8.290 nan 0.000 0.536 66 G N -1.095 107.740 108.800 0.059 0.000 2.443 66 G HA2 0.036 3.997 3.960 0.000 0.000 0.219 66 G HA3 0.036 3.997 3.960 0.000 0.000 0.219 66 G C 0.722 175.639 174.900 0.028 0.000 1.131 66 G CA 0.377 45.509 45.100 0.054 0.000 0.775 66 G HN 0.402 nan 8.290 nan 0.000 0.547 67 L N 2.624 123.856 121.223 0.015 0.000 2.331 67 L HA 0.426 4.766 4.340 0.000 0.000 0.278 67 L C -1.822 175.024 176.870 -0.041 0.000 1.106 67 L CA -2.107 52.730 54.840 -0.007 0.000 0.824 67 L CB 1.155 43.212 42.059 -0.004 0.000 1.142 67 L HN -0.074 nan 8.230 nan 0.000 0.443 68 P HA 0.322 nan 4.420 nan 0.000 0.278 68 P C 0.224 177.461 177.300 -0.104 0.000 1.258 68 P CA 0.121 63.180 63.100 -0.068 0.000 0.811 68 P CB 1.250 32.922 31.700 -0.045 0.000 1.063 69 G N -0.158 108.566 108.800 -0.128 0.000 2.159 69 G HA2 -0.205 3.755 3.960 0.000 0.000 0.256 69 G HA3 -0.205 3.755 3.960 0.000 0.000 0.256 69 G C -0.130 174.619 174.900 -0.252 0.000 0.977 69 G CA -0.110 44.901 45.100 -0.148 0.000 0.652 69 G HN 0.456 nan 8.290 nan 0.000 0.531 70 L N 0.453 121.441 121.223 -0.392 0.000 2.278 70 L HA 0.299 4.639 4.340 0.000 0.000 0.287 70 L C -0.737 175.616 176.870 -0.862 0.000 1.072 70 L CA -2.017 52.332 54.840 -0.818 0.000 0.819 70 L CB 1.358 42.800 42.059 -1.030 0.000 1.176 70 L HN -0.113 nan 8.230 nan 0.000 0.435 71 P HA -0.155 nan 4.420 nan 0.000 0.220 71 P C 1.021 178.261 177.300 -0.100 0.000 1.148 71 P CA 1.281 64.230 63.100 -0.252 0.000 0.803 71 P CB 0.041 31.749 31.700 0.012 0.000 0.782 72 W N -0.853 120.450 121.300 0.005 0.000 2.770 72 W HA 0.141 4.801 4.660 0.000 0.000 0.256 72 W C 0.177 176.699 176.519 0.004 0.000 1.291 72 W CA -0.455 56.892 57.345 0.004 0.000 1.396 72 W CB -1.908 27.553 29.460 0.002 0.000 1.114 72 W HN -0.196 nan 8.180 nan 0.000 0.637 73 N N 3.408 121.984 118.700 -0.206 0.000 2.508 73 N HA 0.117 4.857 4.740 0.000 0.000 0.264 73 N C -2.040 173.446 175.510 -0.040 0.000 1.216 73 N CA -1.454 51.540 53.050 -0.094 0.000 0.943 73 N CB 0.410 38.790 38.487 -0.178 0.000 1.113 73 N HN -0.208 nan 8.380 nan 0.000 0.447 74 P HA 0.005 nan 4.420 nan 0.000 0.274 74 P C -0.927 176.365 177.300 -0.014 0.000 1.246 74 P CA -0.136 62.964 63.100 -0.000 0.000 0.795 74 P CB 0.588 32.295 31.700 0.012 0.000 1.006 75 D N 0.554 120.951 120.400 -0.005 0.000 2.470 75 D HA 0.023 4.663 4.640 0.000 0.000 0.226 75 D C 1.292 177.600 176.300 0.013 0.000 1.196 75 D CA 0.041 54.040 54.000 -0.002 0.000 0.979 75 D CB -0.099 40.703 40.800 0.003 0.000 1.059 75 D HN 0.216 nan 8.370 nan 0.000 0.515 76 S N 2.516 118.223 115.700 0.013 0.000 2.481 76 S HA -0.105 4.366 4.470 0.000 0.000 0.231 76 S C 1.327 175.958 174.600 0.052 0.000 0.996 76 S CA 0.472 58.688 58.200 0.026 0.000 0.942 76 S CB -0.076 63.136 63.200 0.020 0.000 0.768 76 S HN 0.499 nan 8.310 nan 0.000 0.520 77 E N 1.120 121.355 120.200 0.059 0.000 2.107 77 E HA -0.151 4.199 4.350 0.000 0.000 0.191 77 E C 2.225 178.898 176.600 0.121 0.000 0.982 77 E CA 0.878 57.341 56.400 0.106 0.000 0.809 77 E CB -0.287 29.465 29.700 0.086 0.000 0.756 77 E HN 0.715 nan 8.360 nan 0.000 0.459 78 Q N 0.838 120.685 119.800 0.079 0.000 2.124 78 Q HA -0.163 4.177 4.340 0.000 0.000 0.202 78 Q C 2.150 178.192 176.000 0.070 0.000 0.977 78 Q CA 1.395 57.241 55.803 0.072 0.000 0.850 78 Q CB -0.083 28.680 28.738 0.043 0.000 0.901 78 Q HN 0.221 nan 8.270 nan 0.000 0.429 79 A N 0.673 123.529 122.820 0.059 0.000 1.902 79 A HA -0.125 4.196 4.320 0.000 0.000 0.217 79 A C 2.260 179.885 177.584 0.069 0.000 1.181 79 A CA 1.629 53.696 52.037 0.049 0.000 0.623 79 A CB -0.893 18.127 19.000 0.034 0.000 0.818 79 A HN 0.546 nan 8.150 nan 0.000 0.443 80 A N -0.828 122.052 122.820 0.100 0.000 1.877 80 A HA -0.247 4.073 4.320 0.000 0.000 0.216 80 A C 2.223 179.939 177.584 0.221 0.000 1.186 80 A CA 1.845 53.972 52.037 0.150 0.000 0.620 80 A CB -0.640 18.436 19.000 0.126 0.000 0.822 80 A HN 0.651 nan 8.150 nan 0.000 0.443 81 Q N -0.550 119.388 119.800 0.231 0.000 2.084 81 Q HA -0.251 4.089 4.340 0.000 0.000 0.202 81 Q C 2.091 178.100 176.000 0.015 0.000 0.978 81 Q CA 1.910 57.797 55.803 0.140 0.000 0.844 81 Q CB -0.163 28.666 28.738 0.152 0.000 0.898 81 Q HN 0.826 nan 8.270 nan 0.000 0.426 82 E N -0.356 119.866 120.200 0.037 0.000 2.077 82 E HA -0.220 4.130 4.350 0.000 0.000 0.193 82 E C 1.804 178.405 176.600 0.002 0.000 0.989 82 E CA 1.143 57.551 56.400 0.013 0.000 0.800 82 E CB -0.171 29.541 29.700 0.020 0.000 0.746 82 E HN 0.443 nan 8.360 nan 0.000 0.452 83 A N 0.669 123.497 122.820 0.015 0.000 1.858 83 A HA -0.152 4.168 4.320 0.000 0.000 0.216 83 A C 2.449 180.027 177.584 -0.009 0.000 1.190 83 A CA 1.560 53.603 52.037 0.010 0.000 0.617 83 A CB -0.966 18.049 19.000 0.025 0.000 0.827 83 A HN 0.293 nan 8.150 nan 0.000 0.443 84 V N 0.748 120.628 119.914 -0.056 0.000 2.427 84 V HA -0.260 3.860 4.120 0.000 0.000 0.248 84 V C 2.083 178.150 176.094 -0.044 0.000 1.051 84 V CA 2.435 64.667 62.300 -0.114 0.000 1.048 84 V CB -0.895 30.655 31.823 -0.456 0.000 0.666 84 V HN 0.683 nan 8.190 nan 0.000 0.456 85 N N 0.282 118.937 118.700 -0.075 0.000 2.120 85 N HA -0.176 4.564 4.740 0.000 0.000 0.188 85 N C 1.492 176.988 175.510 -0.023 0.000 1.024 85 N CA 1.435 54.461 53.050 -0.039 0.000 0.852 85 N CB -0.182 38.280 38.487 -0.041 0.000 1.003 85 N HN 0.458 nan 8.380 nan 0.000 0.424 86 N N 1.006 119.696 118.700 -0.016 0.000 2.309 86 N HA -0.047 4.693 4.740 0.000 0.000 0.182 86 N C 1.243 176.746 175.510 -0.010 0.000 1.018 86 N CA 0.543 53.585 53.050 -0.014 0.000 0.876 86 N CB -0.220 38.264 38.487 -0.006 0.000 0.972 86 N HN 0.208 nan 8.380 nan 0.000 0.434 87 A N -0.449 122.384 122.820 0.021 0.000 2.235 87 A HA 0.380 4.700 4.320 0.000 0.000 0.208 87 A C 1.451 179.022 177.584 -0.022 0.000 1.172 87 A CA 0.946 53.018 52.037 0.058 0.000 0.786 87 A CB -0.315 18.776 19.000 0.151 0.000 0.804 87 A HN 0.325 nan 8.150 nan 0.000 0.479 88 G N -3.297 105.436 108.800 -0.111 0.000 2.163 88 G HA2 -0.215 3.745 3.960 0.000 0.000 0.213 88 G HA3 -0.215 3.745 3.960 0.000 0.000 0.213 88 G C -0.336 174.280 174.900 -0.473 0.000 0.991 88 G CA -0.173 44.731 45.100 -0.327 0.000 0.653 88 G HN 0.415 nan 8.290 nan 0.000 0.518 89 W N 0.958 122.211 121.300 -0.079 0.000 2.587 89 W HA 0.731 5.391 4.660 0.001 0.000 0.324 89 W C 0.132 176.586 176.519 -0.108 0.000 1.040 89 W CA -0.777 56.509 57.345 -0.098 0.000 1.222 89 W CB 2.116 31.478 29.460 -0.163 0.000 1.381 89 W HN 0.120 nan 8.180 nan 0.000 0.483 90 S N 1.571 117.393 115.700 0.203 0.000 2.500 90 S HA 0.466 4.937 4.470 0.000 0.000 0.301 90 S C -0.392 174.282 174.600 0.123 0.000 1.092 90 S CA -0.786 57.485 58.200 0.119 0.000 1.030 90 S CB 1.484 64.765 63.200 0.136 0.000 1.031 90 S HN 0.210 nan 8.310 nan 0.000 0.483 91 V N 4.056 124.001 119.914 0.052 0.000 2.694 91 V HA 0.086 4.207 4.120 0.000 0.000 0.306 91 V C 0.080 176.225 176.094 0.084 0.000 1.054 91 V CA 0.426 62.770 62.300 0.072 0.000 1.161 91 V CB 0.023 31.899 31.823 0.090 0.000 0.916 91 V HN 0.677 nan 8.190 nan 0.000 0.490 92 I N 4.587 125.199 120.570 0.070 0.000 2.359 92 I HA 0.320 4.490 4.170 0.000 0.000 0.294 92 I C 0.616 176.764 176.117 0.051 0.000 0.987 92 I CA -0.125 61.185 61.300 0.016 0.000 1.225 92 I CB 1.807 39.727 38.000 -0.132 0.000 1.366 92 I HN 0.760 nan 8.210 nan 0.000 0.466 93 S N 4.552 120.268 115.700 0.028 0.000 2.617 93 S HA 0.401 4.871 4.470 0.000 0.000 0.269 93 S C 1.156 175.817 174.600 0.101 0.000 1.292 93 S CA -0.187 58.042 58.200 0.048 0.000 1.010 93 S CB 1.767 64.985 63.200 0.029 0.000 0.944 93 S HN 0.739 nan 8.310 nan 0.000 0.536 94 A N 2.082 124.986 122.820 0.139 0.000 1.940 94 A HA -0.038 4.283 4.320 0.000 0.000 0.219 94 A C 2.206 179.891 177.584 0.168 0.000 1.176 94 A CA 2.159 54.354 52.037 0.264 0.000 0.631 94 A CB -1.875 17.290 19.000 0.276 0.000 0.814 94 A HN 0.906 nan 8.150 nan 0.000 0.446 95 T N 0.102 114.716 114.554 0.099 0.000 2.746 95 T HA -0.192 4.158 4.350 0.000 0.000 0.267 95 T C 2.030 176.780 174.700 0.083 0.000 1.039 95 T CA 1.773 63.922 62.100 0.082 0.000 1.142 95 T CB -0.285 68.619 68.868 0.060 0.000 0.866 95 T HN 0.661 nan 8.240 nan 0.000 0.444 96 Q N 0.311 120.145 119.800 0.057 0.000 2.124 96 Q HA 0.052 4.392 4.340 0.000 0.000 0.202 96 Q C 2.228 178.231 176.000 0.004 0.000 0.977 96 Q CA 1.009 56.847 55.803 0.058 0.000 0.850 96 Q CB -0.290 28.440 28.738 -0.014 0.000 0.901 96 Q HN 0.468 nan 8.270 nan 0.000 0.429 97 L N -0.899 120.269 121.223 -0.092 0.000 2.418 97 L HA 0.098 4.438 4.340 0.000 0.000 0.218 97 L C 1.111 178.043 176.870 0.102 0.000 1.125 97 L CA 0.387 55.169 54.840 -0.096 0.000 0.835 97 L CB -0.172 41.795 42.059 -0.153 0.000 0.953 97 L HN 0.406 nan 8.230 nan 0.000 0.454 98 G N -0.163 108.717 108.800 0.132 0.000 2.221 98 G HA2 -0.353 3.607 3.960 0.000 0.000 0.265 98 G HA3 -0.353 3.607 3.960 0.000 0.000 0.265 98 G C -0.103 174.902 174.900 0.175 0.000 1.041 98 G CA -0.043 45.139 45.100 0.137 0.000 0.807 98 G HN 0.310 nan 8.290 nan 0.000 0.502 99 Y N 0.219 120.561 120.300 0.070 0.000 2.316 99 Y HA 0.536 5.087 4.550 0.000 0.000 0.331 99 Y C 1.039 176.996 175.900 0.095 0.000 1.083 99 Y CA -0.415 57.741 58.100 0.094 0.000 1.206 99 Y CB 1.376 39.930 38.460 0.157 0.000 1.195 99 Y HN 0.317 nan 8.280 nan 0.000 0.497 100 A N 4.428 126.965 122.820 -0.472 0.000 2.308 100 A HA 0.345 4.665 4.320 0.000 0.000 0.217 100 A C 1.177 178.468 177.584 -0.489 0.000 1.216 100 A CA 0.490 52.316 52.037 -0.352 0.000 0.864 100 A CB -0.751 18.132 19.000 -0.196 0.000 0.902 100 A HN 0.899 nan 8.150 nan 0.000 0.499 101 G N -0.173 107.971 108.800 -1.093 0.000 2.494 101 G HA2 0.381 4.342 3.960 0.000 0.000 0.270 101 G HA3 0.381 4.342 3.960 0.000 0.000 0.270 101 G C -0.098 174.762 174.900 -0.066 0.000 1.423 101 G CA -0.573 44.190 45.100 -0.562 0.000 1.055 101 G HN 0.361 nan 8.290 nan 0.000 0.536 102 K N -0.193 120.304 120.400 0.162 0.000 2.201 102 K HA 0.487 4.808 4.320 0.000 0.000 0.278 102 K C -0.393 176.344 176.600 0.228 0.000 1.027 102 K CA -0.338 56.017 56.287 0.115 0.000 0.909 102 K CB 0.716 33.227 32.500 0.018 0.000 1.062 102 K HN 0.609 nan 8.250 nan 0.000 0.465 103 T N 0.291 114.879 114.554 0.057 0.000 2.906 103 T HA 0.370 4.720 4.350 0.000 0.000 0.295 103 T C -0.597 174.062 174.700 -0.069 0.000 1.075 103 T CA -1.014 61.086 62.100 0.000 0.000 1.005 103 T CB 1.475 70.217 68.868 -0.210 0.000 1.136 103 T HN 0.664 nan 8.240 nan 0.000 0.498 104 D N 0.429 120.840 120.400 0.017 0.000 2.549 104 D HA 0.566 5.206 4.640 0.000 0.000 0.270 104 D C 1.450 177.729 176.300 -0.035 0.000 1.181 104 D CA -0.627 53.357 54.000 -0.027 0.000 1.070 104 D CB 0.366 41.207 40.800 0.068 0.000 1.154 104 D HN 0.665 nan 8.370 nan 0.000 0.602 105 A N -0.729 122.070 122.820 -0.035 0.000 2.172 105 A HA -0.078 4.242 4.320 0.000 0.000 0.216 105 A C 1.901 179.473 177.584 -0.020 0.000 1.154 105 A CA 0.795 52.813 52.037 -0.031 0.000 0.701 105 A CB -0.600 18.383 19.000 -0.029 0.000 0.789 105 A HN 0.488 nan 8.150 nan 0.000 0.465 106 R N -1.633 118.855 120.500 -0.021 0.000 2.317 106 R HA 0.233 4.574 4.340 0.000 0.000 0.208 106 R C 1.292 177.609 176.300 0.028 0.000 0.914 106 R CA 0.580 56.681 56.100 0.002 0.000 1.060 106 R CB 0.093 30.358 30.300 -0.058 0.000 1.015 106 R HN 0.616 nan 8.270 nan 0.000 0.498 107 G N 0.462 109.244 108.800 -0.030 0.000 2.176 107 G HA2 -0.267 3.693 3.960 0.000 0.000 0.253 107 G HA3 -0.267 3.693 3.960 0.000 0.000 0.253 107 G C 0.257 175.042 174.900 -0.193 0.000 0.979 107 G CA 0.202 45.239 45.100 -0.104 0.000 0.641 107 G HN 0.303 nan 8.290 nan 0.000 0.530 108 T N 1.013 115.532 114.554 -0.059 0.000 2.916 108 T HA 0.431 4.782 4.350 0.000 0.000 0.303 108 T C 0.050 174.739 174.700 -0.018 0.000 1.025 108 T CA 0.382 62.473 62.100 -0.015 0.000 1.142 108 T CB 0.660 69.522 68.868 -0.010 0.000 0.947 108 T HN 0.226 nan 8.240 nan 0.000 0.544 109 Y N 1.373 121.726 120.300 0.088 0.000 2.308 109 Y HA 0.423 4.973 4.550 0.000 0.000 0.329 109 Y C 0.086 176.191 175.900 0.342 0.000 1.111 109 Y CA -0.712 57.522 58.100 0.224 0.000 1.179 109 Y CB 0.769 39.227 38.460 -0.003 0.000 1.201 109 Y HN 0.583 nan 8.280 nan 0.000 0.483 110 Y N 0.334 120.901 120.300 0.445 0.000 2.457 110 Y HA 0.495 5.046 4.550 0.000 0.000 0.333 110 Y C 0.896 176.936 175.900 0.233 0.000 1.119 110 Y CA -1.344 56.959 58.100 0.338 0.000 1.143 110 Y CB 1.432 39.999 38.460 0.178 0.000 1.230 110 Y HN 0.772 nan 8.280 nan 0.000 0.469 111 G N 1.260 110.101 108.800 0.068 0.000 2.391 111 G HA2 0.009 3.969 3.960 0.000 0.000 0.234 111 G HA3 0.009 3.969 3.960 0.000 0.000 0.234 111 G C 0.136 174.981 174.900 -0.090 0.000 1.284 111 G CA -0.212 44.681 45.100 -0.345 0.000 0.873 111 G HN 0.911 nan 8.290 nan 0.000 0.549 112 E N 0.043 120.143 120.200 -0.166 0.000 2.307 112 E HA 0.041 4.391 4.350 0.000 0.000 0.195 112 E C 0.758 177.349 176.600 -0.015 0.000 0.975 112 E CA 0.529 56.914 56.400 -0.025 0.000 0.878 112 E CB 0.444 30.147 29.700 0.005 0.000 0.845 112 E HN 0.445 nan 8.360 nan 0.000 0.488 113 T N 0.943 115.479 114.554 -0.031 0.000 2.925 113 T HA 0.505 4.855 4.350 0.000 0.000 0.285 113 T C -0.218 174.570 174.700 0.146 0.000 1.021 113 T CA -0.684 61.440 62.100 0.040 0.000 1.042 113 T CB 1.609 70.465 68.868 -0.020 0.000 1.037 113 T HN 0.115 nan 8.240 nan 0.000 0.481 114 A N 1.046 123.935 122.820 0.114 0.000 2.546 114 A HA 0.488 4.808 4.320 0.000 0.000 0.243 114 A C 1.547 179.196 177.584 0.108 0.000 1.063 114 A CA 0.522 52.614 52.037 0.091 0.000 0.757 114 A CB -1.050 17.985 19.000 0.059 0.000 0.991 114 A HN 1.648 nan 8.150 nan 0.000 0.503 115 G N 0.883 109.681 108.800 -0.003 0.000 2.176 115 G HA2 -0.263 3.698 3.960 0.000 0.000 0.232 115 G HA3 -0.263 3.698 3.960 0.000 0.000 0.232 115 G C 0.193 174.800 174.900 -0.489 0.000 0.986 115 G CA 0.799 45.770 45.100 -0.214 0.000 0.643 115 G HN 0.984 nan 8.290 nan 0.000 0.522 116 Y N 0.416 120.696 120.300 -0.033 0.000 2.717 116 Y HA 0.263 4.813 4.550 0.000 0.000 0.250 116 Y C 2.304 178.141 175.900 -0.105 0.000 1.149 116 Y CA 0.647 58.676 58.100 -0.117 0.000 1.211 116 Y CB 0.418 38.700 38.460 -0.298 0.000 1.289 116 Y HN 0.326 nan 8.280 nan 0.000 0.552 117 T N -3.691 110.909 114.554 0.077 0.000 3.113 117 T HA -0.105 4.245 4.350 0.000 0.000 0.263 117 T C 1.566 176.359 174.700 0.156 0.000 1.143 117 T CA 1.329 63.491 62.100 0.103 0.000 1.090 117 T CB -0.439 68.486 68.868 0.094 0.000 0.922 117 T HN 0.371 nan 8.240 nan 0.000 0.521 118 T N -1.128 113.497 114.554 0.119 0.000 3.086 118 T HA 0.610 4.960 4.350 0.000 0.000 0.250 118 T C 0.837 175.603 174.700 0.111 0.000 1.074 118 T CA -0.100 62.078 62.100 0.130 0.000 0.988 118 T CB -0.218 68.716 68.868 0.110 0.000 0.988 118 T HN 0.525 nan 8.240 nan 0.000 0.530 119 A N 1.222 124.108 122.820 0.111 0.000 2.462 119 A HA 0.599 4.919 4.320 0.000 0.000 0.243 119 A C -0.061 177.645 177.584 0.203 0.000 1.076 119 A CA -0.288 51.859 52.037 0.182 0.000 0.773 119 A CB 0.217 19.221 19.000 0.007 0.000 1.010 119 A HN 0.529 nan 8.150 nan 0.000 0.493 120 Q N -0.564 119.402 119.800 0.276 0.000 2.372 120 Q HA 0.717 5.057 4.340 0.000 0.000 0.273 120 Q C -0.643 175.448 176.000 0.152 0.000 1.078 120 Q CA 0.067 55.943 55.803 0.121 0.000 0.806 120 Q CB 2.357 31.000 28.738 -0.159 0.000 1.332 120 Q HN 1.132 nan 8.270 nan 0.000 0.435 121 A N 1.609 124.389 122.820 -0.066 0.000 2.498 121 A HA 0.830 5.150 4.320 0.000 0.000 0.298 121 A C -1.297 176.165 177.584 -0.203 0.000 1.075 121 A CA -0.735 51.072 52.037 -0.383 0.000 0.714 121 A CB 1.531 19.872 19.000 -1.097 0.000 1.299 121 A HN 0.536 nan 8.150 nan 0.000 0.407 122 E N 0.435 120.471 120.200 -0.274 0.000 2.212 122 E HA 0.558 4.908 4.350 0.000 0.000 0.268 122 E C -1.314 175.143 176.600 -0.238 0.000 0.902 122 E CA -0.625 55.720 56.400 -0.091 0.000 0.779 122 E CB 2.172 31.867 29.700 -0.008 0.000 1.172 122 E HN 0.323 nan 8.360 nan 0.000 0.409 123 V N 3.790 123.641 119.914 -0.106 0.000 2.407 123 V HA 0.400 4.520 4.120 0.000 0.000 0.291 123 V C -0.488 175.553 176.094 -0.088 0.000 1.018 123 V CA -0.648 61.516 62.300 -0.227 0.000 0.842 123 V CB 1.008 32.600 31.823 -0.386 0.000 0.996 123 V HN 0.446 nan 8.190 nan 0.000 0.426 124 L N 3.598 124.760 121.223 -0.103 0.000 2.323 124 L HA 0.989 5.330 4.340 0.000 0.000 0.265 124 L C 0.551 177.541 176.870 0.200 0.000 1.012 124 L CA -0.214 54.654 54.840 0.048 0.000 0.820 124 L CB 2.012 44.088 42.059 0.029 0.000 1.334 124 L HN 0.693 nan 8.230 nan 0.000 0.427 125 G N 0.053 109.013 108.800 0.267 0.000 2.481 125 G HA2 0.662 4.622 3.960 0.000 0.000 0.315 125 G HA3 0.662 4.622 3.960 0.000 0.000 0.315 125 G C -1.706 173.126 174.900 -0.113 0.000 1.231 125 G CA -0.520 44.622 45.100 0.070 0.000 0.968 125 G HN 0.512 nan 8.290 nan 0.000 0.482 126 K N 0.710 120.780 120.400 -0.550 0.000 2.292 126 K HA 0.611 4.931 4.320 0.000 0.000 0.257 126 K C -1.549 174.667 176.600 -0.640 0.000 0.940 126 K CA -0.741 55.115 56.287 -0.719 0.000 0.811 126 K CB 1.295 33.083 32.500 -1.188 0.000 1.120 126 K HN 0.515 nan 8.250 nan 0.000 0.428 127 Y N 1.493 121.660 120.300 -0.222 0.000 2.524 127 Y HA 0.197 4.747 4.550 0.000 0.000 0.344 127 Y C 0.165 175.991 175.900 -0.124 0.000 1.012 127 Y CA -0.960 57.062 58.100 -0.129 0.000 1.068 127 Y CB 1.370 39.780 38.460 -0.083 0.000 1.249 127 Y HN 0.758 nan 8.280 nan 0.000 0.468 128 D N -0.741 119.697 120.400 0.063 0.000 2.433 128 D HA 0.121 4.762 4.640 0.000 0.000 0.255 128 D C 0.105 176.418 176.300 0.023 0.000 1.226 128 D CA -0.756 53.251 54.000 0.012 0.000 1.015 128 D CB 0.526 41.326 40.800 0.000 0.000 1.091 128 D HN 0.378 nan 8.370 nan 0.000 0.527 129 S N -1.544 114.155 115.700 -0.001 0.000 4.175 129 S HA 0.221 4.692 4.470 0.000 0.000 0.193 129 S C 0.095 174.695 174.600 -0.000 0.000 1.373 129 S CA -0.331 57.865 58.200 -0.005 0.000 0.908 129 S CB -0.844 62.349 63.200 -0.013 0.000 1.547 129 S HN 0.597 nan 8.310 nan 0.000 0.440 130 E N -0.094 120.111 120.200 0.009 0.000 1.728 130 E HA 0.150 4.501 4.350 0.000 0.000 0.184 130 E C 0.783 177.394 176.600 0.019 0.000 0.835 130 E CA 0.145 56.550 56.400 0.009 0.000 1.178 130 E CB -0.236 29.471 29.700 0.013 0.000 3.283 130 E HN 0.730 nan 8.360 nan 0.000 0.662 131 G N 1.716 110.539 108.800 0.038 0.000 2.141 131 G HA2 -0.218 3.742 3.960 0.000 0.000 0.231 131 G HA3 -0.218 3.742 3.960 0.000 0.000 0.231 131 G C -0.273 174.740 174.900 0.189 0.000 0.984 131 G CA 0.026 45.153 45.100 0.044 0.000 0.660 131 G HN 0.096 nan 8.290 nan 0.000 0.525 132 N N 0.282 119.088 118.700 0.177 0.000 2.472 132 N HA 0.429 5.169 4.740 0.000 0.000 0.277 132 N C 0.255 175.862 175.510 0.161 0.000 1.081 132 N CA -0.460 52.692 53.050 0.169 0.000 0.973 132 N CB 1.707 40.239 38.487 0.075 0.000 1.105 132 N HN 0.299 nan 8.380 nan 0.000 0.470 133 L N 1.871 123.148 121.223 0.090 0.000 2.499 133 L HA 0.066 4.406 4.340 0.000 0.000 0.273 133 L C 1.149 177.910 176.870 -0.181 0.000 1.195 133 L CA 1.123 55.813 54.840 -0.250 0.000 0.882 133 L CB 0.409 42.300 42.059 -0.281 0.000 1.133 133 L HN 0.560 nan 8.230 nan 0.000 0.483 134 T N 3.351 117.749 114.554 -0.259 0.000 2.987 134 T HA 0.575 4.925 4.350 0.000 0.000 0.248 134 T C -0.145 174.476 174.700 -0.131 0.000 0.997 134 T CA 0.437 62.441 62.100 -0.160 0.000 1.013 134 T CB 0.419 69.190 68.868 -0.161 0.000 1.077 134 T HN 0.725 nan 8.240 nan 0.000 0.483 135 A N 0.492 123.212 122.820 -0.167 0.000 2.606 135 A HA 0.798 5.119 4.320 0.000 0.000 0.293 135 A C -1.890 175.745 177.584 0.086 0.000 1.082 135 A CA -0.633 51.394 52.037 -0.017 0.000 0.685 135 A CB 1.095 20.117 19.000 0.038 0.000 1.284 135 A HN 0.276 nan 8.150 nan 0.000 0.408 136 I N 0.596 121.277 120.570 0.184 0.000 2.569 136 I HA 0.619 4.789 4.170 0.000 0.000 0.296 136 I C 0.517 176.680 176.117 0.077 0.000 1.028 136 I CA -0.611 60.800 61.300 0.184 0.000 1.082 136 I CB 2.524 40.586 38.000 0.103 0.000 1.264 136 I HN 0.798 nan 8.210 nan 0.000 0.429 137 G N 6.247 114.962 108.800 -0.141 0.000 2.530 137 G HA2 0.775 4.735 3.960 0.000 0.000 0.316 137 G HA3 0.775 4.735 3.960 0.000 0.000 0.316 137 G C -1.062 173.553 174.900 -0.475 0.000 1.298 137 G CA -0.378 44.380 45.100 -0.570 0.000 0.948 137 G HN 0.445 nan 8.290 nan 0.000 0.486 138 I N 1.486 121.747 120.570 -0.516 0.000 2.418 138 I HA 0.407 4.577 4.170 0.000 0.000 0.287 138 I C -0.089 175.573 176.117 -0.757 0.000 1.008 138 I CA -0.614 60.300 61.300 -0.643 0.000 1.104 138 I CB 2.187 39.783 38.000 -0.674 0.000 1.264 138 I HN 0.421 nan 8.210 nan 0.000 0.438 139 S N 6.254 121.493 115.700 -0.768 0.000 2.502 139 S HA 0.694 5.164 4.470 0.000 0.000 0.304 139 S C -0.974 173.204 174.600 -0.705 0.000 1.097 139 S CA -0.421 57.403 58.200 -0.626 0.000 1.045 139 S CB 0.623 63.597 63.200 -0.377 0.000 1.019 139 S HN 0.295 nan 8.310 nan 0.000 0.481 140 F N 3.101 122.938 119.950 -0.189 0.000 2.421 140 F HA 0.544 5.071 4.527 0.000 0.000 0.337 140 F C 0.807 176.515 175.800 -0.155 0.000 1.105 140 F CA -0.895 57.017 58.000 -0.147 0.000 1.049 140 F CB 1.006 39.986 39.000 -0.033 0.000 1.139 140 F HN 0.477 nan 8.300 nan 0.000 0.479 141 R N 1.202 121.704 120.500 0.002 0.000 2.539 141 R HA 0.506 4.847 4.340 0.000 0.000 0.275 141 R C 0.615 176.838 176.300 -0.128 0.000 1.077 141 R CA -0.161 55.802 56.100 -0.228 0.000 1.097 141 R CB 0.583 30.746 30.300 -0.228 0.000 1.018 141 R HN 0.909 nan 8.270 nan 0.000 0.483 142 G N 1.052 109.671 108.800 -0.302 0.000 2.489 142 G HA2 0.045 4.006 3.960 0.000 0.000 0.271 142 G HA3 0.045 4.006 3.960 0.000 0.000 0.271 142 G C -0.694 174.290 174.900 0.140 0.000 1.427 142 G CA -0.558 44.581 45.100 0.064 0.000 1.057 142 G HN 0.588 nan 8.290 nan 0.000 0.532 143 T N 0.634 115.347 114.554 0.265 0.000 2.902 143 T HA 0.420 4.770 4.350 0.000 0.000 0.301 143 T C 0.388 175.239 174.700 0.252 0.000 1.012 143 T CA 1.191 63.429 62.100 0.230 0.000 1.151 143 T CB 0.073 69.085 68.868 0.241 0.000 0.946 143 T HN 1.837 nan 8.240 nan 0.000 0.542 144 S N 1.169 116.971 115.700 0.170 0.000 4.079 144 S HA 0.365 4.835 4.470 0.000 0.000 0.635 144 S C -0.442 174.218 174.600 0.099 0.000 0.709 144 S CA -0.725 57.565 58.200 0.149 0.000 0.990 144 S CB -0.794 62.531 63.200 0.208 0.000 0.609 144 S HN 1.503 nan 8.310 nan 0.000 0.925 145 G N -0.424 108.424 108.800 0.081 0.000 2.634 145 G HA2 0.777 4.738 3.960 0.000 0.000 0.309 145 G HA3 0.777 4.738 3.960 0.000 0.000 0.309 145 G C -3.601 171.316 174.900 0.029 0.000 1.299 145 G CA -0.732 44.391 45.100 0.038 0.000 0.798 145 G HN 0.758 nan 8.290 nan 0.000 0.490 146 P HA 0.179 nan 4.420 nan 0.000 0.266 146 P C 0.833 178.138 177.300 0.008 0.000 1.195 146 P CA -0.060 63.028 63.100 -0.019 0.000 0.768 146 P CB 0.736 32.442 31.700 0.010 0.000 0.838 147 R N 1.910 122.408 120.500 -0.004 0.000 2.133 147 R HA -0.224 4.116 4.340 0.000 0.000 0.247 147 R C 1.465 177.769 176.300 0.006 0.000 1.151 147 R CA 1.721 57.825 56.100 0.007 0.000 0.971 147 R CB -0.315 29.982 30.300 -0.005 0.000 0.866 147 R HN 0.554 nan 8.270 nan 0.000 0.447 148 E N -0.285 119.915 120.200 -0.001 0.000 2.338 148 E HA -0.081 4.270 4.350 0.000 0.000 0.197 148 E C 0.880 177.489 176.600 0.014 0.000 1.007 148 E CA 1.271 57.671 56.400 0.001 0.000 0.849 148 E CB 0.295 29.991 29.700 -0.007 0.000 0.774 148 E HN 0.309 nan 8.360 nan 0.000 0.506 149 S N -0.855 114.863 115.700 0.030 0.000 2.902 149 S HA 0.195 4.665 4.470 0.000 0.000 0.250 149 S C 1.026 175.655 174.600 0.048 0.000 1.046 149 S CA -0.511 57.714 58.200 0.041 0.000 1.069 149 S CB 0.008 63.243 63.200 0.059 0.000 0.967 149 S HN 0.071 nan 8.310 nan 0.000 0.530 150 L N 1.945 123.192 121.223 0.041 0.000 1.989 150 L HA 0.075 4.416 4.340 0.000 0.000 0.211 150 L C 1.942 178.841 176.870 0.048 0.000 1.071 150 L CA 1.896 56.764 54.840 0.048 0.000 0.749 150 L CB -0.634 41.451 42.059 0.044 0.000 0.890 150 L HN 0.507 nan 8.230 nan 0.000 0.431 151 I N -0.884 119.710 120.570 0.039 0.000 2.142 151 I HA -0.216 3.954 4.170 0.000 0.000 0.240 151 I C 2.483 178.621 176.117 0.035 0.000 1.078 151 I CA 1.384 62.704 61.300 0.034 0.000 1.343 151 I CB -1.167 36.849 38.000 0.026 0.000 1.046 151 I HN 0.418 nan 8.210 nan 0.000 0.405 152 G N 0.052 108.874 108.800 0.036 0.000 2.418 152 G HA2 -0.295 3.665 3.960 0.000 0.000 0.217 152 G HA3 -0.295 3.665 3.960 0.000 0.000 0.217 152 G C 1.437 176.367 174.900 0.049 0.000 1.158 152 G CA 0.962 46.084 45.100 0.037 0.000 0.771 152 G HN 0.376 nan 8.290 nan 0.000 0.545 153 D N 0.025 120.463 120.400 0.062 0.000 2.117 153 D HA -0.104 4.536 4.640 0.000 0.000 0.198 153 D C 2.444 178.788 176.300 0.073 0.000 0.982 153 D CA 1.514 55.561 54.000 0.078 0.000 0.828 153 D CB -0.062 40.792 40.800 0.090 0.000 0.967 153 D HN 0.226 nan 8.370 nan 0.000 0.464 154 T N 1.190 115.784 114.554 0.067 0.000 2.720 154 T HA -0.120 4.231 4.350 0.000 0.000 0.268 154 T C 2.173 176.906 174.700 0.054 0.000 1.037 154 T CA 0.772 62.912 62.100 0.067 0.000 1.144 154 T CB -0.145 68.758 68.868 0.059 0.000 0.864 154 T HN 0.225 nan 8.240 nan 0.000 0.444 155 I N 1.189 121.783 120.570 0.040 0.000 2.163 155 I HA -0.151 4.019 4.170 0.000 0.000 0.243 155 I C 2.919 179.055 176.117 0.032 0.000 1.085 155 I CA 1.391 62.707 61.300 0.027 0.000 1.347 155 I CB -0.851 37.160 38.000 0.018 0.000 1.044 155 I HN 0.321 nan 8.210 nan 0.000 0.408 156 G N 0.585 109.410 108.800 0.041 0.000 2.440 156 G HA2 -0.259 3.701 3.960 0.000 0.000 0.218 156 G HA3 -0.259 3.701 3.960 0.000 0.000 0.218 156 G C 1.250 176.187 174.900 0.062 0.000 1.154 156 G CA 1.061 46.186 45.100 0.042 0.000 0.767 156 G HN 0.301 nan 8.290 nan 0.000 0.552 157 D N 0.225 120.676 120.400 0.086 0.000 2.117 157 D HA -0.089 4.551 4.640 0.000 0.000 0.197 157 D C 2.771 179.128 176.300 0.096 0.000 0.987 157 D CA 0.749 54.819 54.000 0.116 0.000 0.829 157 D CB -0.538 40.336 40.800 0.124 0.000 0.961 157 D HN 0.203 nan 8.370 nan 0.000 0.460 158 V N 1.327 121.282 119.914 0.069 0.000 2.392 158 V HA -0.221 3.899 4.120 0.000 0.000 0.249 158 V C 2.511 178.629 176.094 0.040 0.000 1.059 158 V CA 1.075 63.407 62.300 0.053 0.000 1.051 158 V CB -0.366 31.472 31.823 0.025 0.000 0.658 158 V HN 0.203 nan 8.190 nan 0.000 0.455 159 I N 0.494 121.078 120.570 0.023 0.000 2.179 159 I HA -0.279 3.892 4.170 0.000 0.000 0.242 159 I C 2.219 178.329 176.117 -0.012 0.000 1.088 159 I CA 2.110 63.405 61.300 -0.008 0.000 1.357 159 I CB -0.634 37.353 38.000 -0.022 0.000 1.051 159 I HN 0.427 nan 8.210 nan 0.000 0.409 160 N N 0.682 119.414 118.700 0.053 0.000 2.120 160 N HA -0.200 4.541 4.740 0.000 0.000 0.188 160 N C 1.391 176.969 175.510 0.113 0.000 1.024 160 N CA 1.335 54.479 53.050 0.157 0.000 0.852 160 N CB -0.094 38.583 38.487 0.316 0.000 1.003 160 N HN 0.314 nan 8.380 nan 0.000 0.424 161 D N 0.997 121.446 120.400 0.082 0.000 2.123 161 D HA -0.123 4.517 4.640 0.000 0.000 0.196 161 D C 2.026 178.368 176.300 0.070 0.000 0.992 161 D CA 0.848 54.892 54.000 0.074 0.000 0.833 161 D CB -0.289 40.575 40.800 0.107 0.000 0.954 161 D HN 0.280 nan 8.370 nan 0.000 0.455 162 L N 0.249 121.514 121.223 0.071 0.000 2.056 162 L HA -0.108 4.232 4.340 0.000 0.000 0.207 162 L C 2.596 179.508 176.870 0.071 0.000 1.078 162 L CA 0.499 55.424 54.840 0.142 0.000 0.749 162 L CB -0.298 41.803 42.059 0.071 0.000 0.901 162 L HN 0.016 nan 8.230 nan 0.000 0.433 163 L N -0.424 120.698 121.223 -0.169 0.000 2.083 163 L HA -0.195 4.145 4.340 0.000 0.000 0.209 163 L C 2.852 179.486 176.870 -0.393 0.000 1.083 163 L CA 1.081 55.630 54.840 -0.484 0.000 0.752 163 L CB -0.684 40.674 42.059 -1.169 0.000 0.899 163 L HN 0.240 nan 8.230 nan 0.000 0.433 164 A N 0.122 122.855 122.820 -0.145 0.000 1.933 164 A HA -0.118 4.203 4.320 0.000 0.000 0.218 164 A C 2.378 179.920 177.584 -0.069 0.000 1.175 164 A CA 1.797 53.869 52.037 0.058 0.000 0.628 164 A CB -1.081 17.974 19.000 0.091 0.000 0.814 164 A HN 0.442 nan 8.150 nan 0.000 0.444 165 G N -2.204 106.509 108.800 -0.145 0.000 2.426 165 G HA2 0.125 4.086 3.960 0.000 0.000 0.214 165 G HA3 0.125 4.086 3.960 0.000 0.000 0.214 165 G C 0.939 175.456 174.900 -0.638 0.000 1.156 165 G CA 0.926 45.754 45.100 -0.455 0.000 0.802 165 G HN 0.472 nan 8.290 nan 0.000 0.534 166 F N 0.229 120.144 119.950 -0.058 0.000 2.798 166 F HA 0.405 4.932 4.527 0.000 0.000 0.328 166 F C 1.522 177.282 175.800 -0.066 0.000 1.098 166 F CA -0.514 57.456 58.000 -0.051 0.000 1.172 166 F CB 0.761 39.733 39.000 -0.047 0.000 1.072 166 F HN 0.207 nan 8.300 nan 0.000 0.555 167 G N 0.255 109.069 108.800 0.024 0.000 2.641 167 G HA2 0.487 4.447 3.960 0.000 0.000 0.239 167 G HA3 0.487 4.447 3.960 0.000 0.000 0.239 167 G C -2.377 172.533 174.900 0.016 0.000 1.402 167 G CA -1.295 43.785 45.100 -0.034 0.000 1.046 167 G HN -0.189 nan 8.290 nan 0.000 0.565 168 P HA 0.150 nan 4.420 nan 0.000 0.267 168 P C 0.577 177.943 177.300 0.109 0.000 1.200 168 P CA -0.039 63.119 63.100 0.097 0.000 0.772 168 P CB 0.797 32.586 31.700 0.148 0.000 0.855 169 K N 1.381 121.825 120.400 0.074 0.000 2.152 169 K HA -0.081 4.240 4.320 0.000 0.000 0.206 169 K C 1.769 178.412 176.600 0.072 0.000 1.048 169 K CA 1.631 57.952 56.287 0.058 0.000 0.933 169 K CB -0.489 32.034 32.500 0.037 0.000 0.721 169 K HN 0.628 nan 8.250 nan 0.000 0.447 170 G N -0.452 108.401 108.800 0.087 0.000 3.189 170 G HA2 -0.126 3.834 3.960 0.000 0.000 0.225 170 G HA3 -0.126 3.834 3.960 0.000 0.000 0.225 170 G C 0.889 175.846 174.900 0.096 0.000 1.159 170 G CA -0.322 44.820 45.100 0.069 0.000 0.763 170 G HN 0.200 nan 8.290 nan 0.000 0.549 171 Y N 1.930 122.257 120.300 0.045 0.000 2.114 171 Y HA -0.077 4.474 4.550 0.000 0.000 0.284 171 Y C 2.835 178.795 175.900 0.100 0.000 1.143 171 Y CA 1.932 60.084 58.100 0.086 0.000 1.135 171 Y CB -0.137 38.375 38.460 0.087 0.000 0.980 171 Y HN 0.238 nan 8.280 nan 0.000 0.499 172 A N 0.133 123.071 122.820 0.197 0.000 1.892 172 A HA -0.251 4.070 4.320 0.000 0.000 0.218 172 A C 1.946 179.525 177.584 -0.007 0.000 1.188 172 A CA 2.208 54.294 52.037 0.082 0.000 0.631 172 A CB -1.013 18.017 19.000 0.050 0.000 0.822 172 A HN 0.554 nan 8.150 nan 0.000 0.447 173 D N -0.645 119.743 120.400 -0.019 0.000 2.182 173 D HA -0.074 4.566 4.640 0.000 0.000 0.201 173 D C 1.922 178.167 176.300 -0.091 0.000 0.986 173 D CA 1.421 55.384 54.000 -0.062 0.000 0.847 173 D CB -0.495 40.273 40.800 -0.052 0.000 0.942 173 D HN 0.475 nan 8.370 nan 0.000 0.467 174 G N -0.961 107.771 108.800 -0.114 0.000 2.777 174 G HA2 -0.197 3.763 3.960 0.000 0.000 0.211 174 G HA3 -0.197 3.763 3.960 0.000 0.000 0.211 174 G C 1.402 176.156 174.900 -0.243 0.000 1.149 174 G CA -0.066 44.927 45.100 -0.178 0.000 0.785 174 G HN 0.266 nan 8.290 nan 0.000 0.536 175 Y N 2.028 122.134 120.300 -0.323 0.000 2.081 175 Y HA -0.222 4.328 4.550 0.000 0.000 0.280 175 Y C 2.884 178.599 175.900 -0.308 0.000 1.163 175 Y CA 2.486 60.402 58.100 -0.307 0.000 1.135 175 Y CB -0.287 38.079 38.460 -0.158 0.000 0.970 175 Y HN 0.180 nan 8.280 nan 0.000 0.498 176 T N 1.027 115.519 114.554 -0.103 0.000 2.904 176 T HA -0.146 4.205 4.350 0.000 0.000 0.267 176 T C 1.739 176.394 174.700 -0.075 0.000 1.059 176 T CA 1.184 63.199 62.100 -0.142 0.000 1.137 176 T CB -0.520 68.262 68.868 -0.143 0.000 0.879 176 T HN 0.268 nan 8.240 nan 0.000 0.467 177 L N 1.318 122.501 121.223 -0.068 0.000 2.017 177 L HA -0.033 4.308 4.340 0.000 0.000 0.208 177 L C 2.133 178.880 176.870 -0.206 0.000 1.073 177 L CA 1.819 56.635 54.840 -0.039 0.000 0.745 177 L CB -0.434 41.542 42.059 -0.139 0.000 0.894 177 L HN -0.040 nan 8.230 nan 0.000 0.432 178 K N -0.382 119.730 120.400 -0.479 0.000 2.103 178 K HA 0.059 4.379 4.320 0.000 0.000 0.204 178 K C 2.065 178.233 176.600 -0.721 0.000 1.052 178 K CA 1.290 57.153 56.287 -0.707 0.000 0.945 178 K CB -0.654 31.038 32.500 -1.347 0.000 0.722 178 K HN 0.440 nan 8.250 nan 0.000 0.443 179 A N 0.056 122.369 122.820 -0.844 0.000 1.898 179 A HA -0.001 4.319 4.320 0.000 0.000 0.214 179 A C 0.995 178.043 177.584 -0.894 0.000 1.183 179 A CA 1.065 52.545 52.037 -0.928 0.000 0.622 179 A CB -0.124 18.157 19.000 -1.199 0.000 0.824 179 A HN 0.235 nan 8.150 nan 0.000 0.444 180 F N -1.172 118.714 119.950 -0.106 0.000 2.815 180 F HA 0.317 4.844 4.527 0.001 0.000 0.323 180 F C 1.850 177.704 175.800 0.091 0.000 1.151 180 F CA -0.479 57.525 58.000 0.007 0.000 1.191 180 F CB -0.133 38.879 39.000 0.020 0.000 1.069 180 F HN 0.185 nan 8.300 nan 0.000 0.514 181 G N 0.839 109.790 108.800 0.252 0.000 2.476 181 G HA2 -0.332 3.628 3.960 0.000 0.000 0.218 181 G HA3 -0.332 3.628 3.960 0.000 0.000 0.218 181 G C 1.468 176.636 174.900 0.448 0.000 1.164 181 G CA 1.543 46.897 45.100 0.424 0.000 0.768 181 G HN 0.377 nan 8.290 nan 0.000 0.560 182 N N -0.097 118.781 118.700 0.297 0.000 2.106 182 N HA -0.047 4.693 4.740 0.000 0.000 0.188 182 N C 2.009 177.702 175.510 0.306 0.000 1.029 182 N CA 0.824 54.051 53.050 0.297 0.000 0.848 182 N CB -0.211 38.431 38.487 0.258 0.000 1.007 182 N HN 0.224 nan 8.380 nan 0.000 0.423 183 L N 1.449 122.845 121.223 0.288 0.000 1.990 183 L HA -0.146 4.194 4.340 0.000 0.000 0.213 183 L C 1.714 178.498 176.870 -0.143 0.000 1.072 183 L CA 1.602 56.402 54.840 -0.067 0.000 0.755 183 L CB -0.677 41.204 42.059 -0.297 0.000 0.889 183 L HN 0.237 nan 8.230 nan 0.000 0.432 184 L N -0.811 120.328 121.223 -0.142 0.000 2.191 184 L HA -0.137 4.203 4.340 0.000 0.000 0.212 184 L C 2.470 179.236 176.870 -0.173 0.000 1.103 184 L CA 1.059 55.671 54.840 -0.380 0.000 0.769 184 L CB -1.293 40.159 42.059 -1.012 0.000 0.908 184 L HN 0.507 nan 8.230 nan 0.000 0.438 185 G N -0.401 108.450 108.800 0.084 0.000 2.402 185 G HA2 -0.222 3.738 3.960 0.000 0.000 0.216 185 G HA3 -0.222 3.738 3.960 0.000 0.000 0.216 185 G C 1.132 176.083 174.900 0.086 0.000 1.162 185 G CA 0.677 45.910 45.100 0.222 0.000 0.777 185 G HN 0.286 nan 8.290 nan 0.000 0.539 186 D N 0.255 120.702 120.400 0.078 0.000 2.144 186 D HA -0.062 4.578 4.640 0.000 0.000 0.200 186 D C 2.749 179.054 176.300 0.008 0.000 0.978 186 D CA 0.472 54.511 54.000 0.065 0.000 0.833 186 D CB -0.354 40.521 40.800 0.125 0.000 0.961 186 D HN 0.192 nan 8.370 nan 0.000 0.470 187 V N 1.418 121.289 119.914 -0.070 0.000 2.343 187 V HA -0.221 3.900 4.120 0.000 0.000 0.247 187 V C 2.516 178.580 176.094 -0.049 0.000 1.051 187 V CA 1.727 63.992 62.300 -0.059 0.000 1.036 187 V CB -0.747 31.003 31.823 -0.122 0.000 0.654 187 V HN 0.178 nan 8.190 nan 0.000 0.451 188 A N -0.227 122.469 122.820 -0.207 0.000 1.877 188 A HA -0.240 4.081 4.320 0.000 0.000 0.216 188 A C 2.299 179.538 177.584 -0.575 0.000 1.186 188 A CA 1.962 53.540 52.037 -0.765 0.000 0.620 188 A CB -0.444 18.050 19.000 -0.844 0.000 0.822 188 A HN 0.528 nan 8.150 nan 0.000 0.443 189 K N -1.570 118.691 120.400 -0.230 0.000 2.063 189 K HA -0.161 4.159 4.320 0.000 0.000 0.208 189 K C 1.822 178.417 176.600 -0.008 0.000 1.048 189 K CA 1.657 57.884 56.287 -0.099 0.000 0.928 189 K CB -0.397 32.106 32.500 0.004 0.000 0.713 189 K HN 0.513 nan 8.250 nan 0.000 0.442 190 F N 1.773 121.677 119.950 -0.075 0.000 2.095 190 F HA -0.241 4.287 4.527 0.000 0.000 0.298 190 F C 2.250 178.092 175.800 0.070 0.000 1.104 190 F CA 1.520 59.536 58.000 0.027 0.000 1.232 190 F CB -0.448 38.541 39.000 -0.018 0.000 0.987 190 F HN -0.008 nan 8.300 nan 0.000 0.475 191 A N 0.073 122.883 122.820 -0.016 0.000 1.865 191 A HA -0.270 4.050 4.320 0.000 0.000 0.217 191 A C 2.158 179.713 177.584 -0.048 0.000 1.191 191 A CA 1.995 53.999 52.037 -0.056 0.000 0.623 191 A CB -1.074 17.955 19.000 0.047 0.000 0.826 191 A HN 0.613 nan 8.150 nan 0.000 0.444 192 Q N -0.893 118.838 119.800 -0.116 0.000 2.135 192 Q HA -0.120 4.220 4.340 0.000 0.000 0.204 192 Q C 2.277 178.245 176.000 -0.055 0.000 0.981 192 Q CA 1.308 57.087 55.803 -0.041 0.000 0.856 192 Q CB -0.375 28.315 28.738 -0.079 0.000 0.902 192 Q HN 0.701 nan 8.270 nan 0.000 0.425 193 A N -0.023 122.743 122.820 -0.089 0.000 2.121 193 A HA -0.146 4.175 4.320 0.000 0.000 0.218 193 A C 0.819 178.227 177.584 -0.293 0.000 1.154 193 A CA 1.163 53.107 52.037 -0.156 0.000 0.679 193 A CB -0.279 18.633 19.000 -0.146 0.000 0.795 193 A HN 0.342 nan 8.150 nan 0.000 0.458 194 H N -1.924 116.995 119.070 -0.252 0.000 2.542 194 H HA 0.383 4.940 4.556 0.000 0.000 0.283 194 H C 1.386 176.636 175.328 -0.130 0.000 1.059 194 H CA 0.353 56.261 56.048 -0.234 0.000 1.162 194 H CB 0.450 29.984 29.762 -0.380 0.000 1.539 194 H HN 0.508 nan 8.280 nan 0.000 0.543 195 G N 0.589 109.380 108.800 -0.014 0.000 2.143 195 G HA2 -0.259 3.701 3.960 0.000 0.000 0.249 195 G HA3 -0.259 3.701 3.960 0.000 0.000 0.249 195 G C -0.015 174.901 174.900 0.026 0.000 0.981 195 G CA 0.097 45.197 45.100 0.001 0.000 0.665 195 G HN 0.273 nan 8.290 nan 0.000 0.528 196 L N 0.892 122.147 121.223 0.053 0.000 2.360 196 L HA 0.739 5.079 4.340 0.000 0.000 0.271 196 L C 1.026 177.991 176.870 0.158 0.000 1.057 196 L CA -0.158 54.730 54.840 0.079 0.000 0.803 196 L CB 1.689 43.796 42.059 0.081 0.000 1.207 196 L HN 0.416 nan 8.230 nan 0.000 0.445 197 S N -0.233 115.501 115.700 0.057 0.000 2.759 197 S HA 0.464 4.934 4.470 0.000 0.000 0.310 197 S C 0.916 175.271 174.600 -0.409 0.000 1.123 197 S CA -0.109 58.021 58.200 -0.117 0.000 0.959 197 S CB 1.347 64.468 63.200 -0.132 0.000 1.172 197 S HN 0.738 nan 8.310 nan 0.000 0.539 198 G N 0.076 108.314 108.800 -0.937 0.000 2.450 198 G HA2 -0.139 3.821 3.960 0.000 0.000 0.220 198 G HA3 -0.139 3.821 3.960 0.000 0.000 0.220 198 G C 0.953 175.689 174.900 -0.272 0.000 1.130 198 G CA 0.775 45.404 45.100 -0.785 0.000 0.760 198 G HN 0.842 nan 8.290 nan 0.000 0.557 199 E N 0.481 120.570 120.200 -0.185 0.000 2.409 199 E HA -0.040 4.310 4.350 0.000 0.000 0.198 199 E C 0.928 177.505 176.600 -0.039 0.000 1.024 199 E CA 0.466 56.823 56.400 -0.072 0.000 0.861 199 E CB 0.132 29.808 29.700 -0.039 0.000 0.788 199 E HN 0.360 nan 8.360 nan 0.000 0.521 200 D N 0.317 120.691 120.400 -0.042 0.000 2.325 200 D HA 0.023 4.664 4.640 0.000 0.000 0.225 200 D C -0.340 175.978 176.300 0.030 0.000 1.096 200 D CA 0.276 54.278 54.000 0.002 0.000 0.844 200 D CB 0.703 41.508 40.800 0.010 0.000 0.925 200 D HN -0.058 nan 8.370 nan 0.000 0.513 201 V N 1.213 121.127 119.914 0.000 0.000 2.495 201 V HA 0.280 4.400 4.120 0.000 0.000 0.298 201 V C -0.008 176.021 176.094 -0.109 0.000 1.031 201 V CA -0.948 61.349 62.300 -0.005 0.000 0.871 201 V CB 2.634 34.500 31.823 0.071 0.000 0.988 201 V HN -0.186 nan 8.190 nan 0.000 0.432 202 V N 6.593 126.417 119.914 -0.149 0.000 2.435 202 V HA 0.687 4.807 4.120 0.000 0.000 0.290 202 V C -0.611 175.275 176.094 -0.347 0.000 1.030 202 V CA -0.155 61.992 62.300 -0.254 0.000 0.881 202 V CB 1.946 33.638 31.823 -0.219 0.000 0.983 202 V HN 0.646 nan 8.190 nan 0.000 0.445 203 V N 6.282 125.979 119.914 -0.362 0.000 2.448 203 V HA 0.746 4.866 4.120 0.000 0.000 0.295 203 V C 0.052 176.042 176.094 -0.174 0.000 1.025 203 V CA -0.009 62.110 62.300 -0.303 0.000 0.859 203 V CB 1.408 33.080 31.823 -0.252 0.000 0.988 203 V HN 0.999 nan 8.190 nan 0.000 0.431 204 S N 2.344 117.936 115.700 -0.179 0.000 2.776 204 S HA 1.001 5.472 4.470 0.000 0.000 0.292 204 S C -0.416 174.194 174.600 0.017 0.000 1.187 204 S CA 0.136 58.299 58.200 -0.062 0.000 0.834 204 S CB 2.112 65.265 63.200 -0.078 0.000 1.199 204 S HN 1.657 nan 8.310 nan 0.000 0.514 205 G N 0.336 109.213 108.800 0.128 0.000 2.350 205 G HA2 0.368 4.328 3.960 0.000 0.000 0.305 205 G HA3 0.368 4.328 3.960 0.000 0.000 0.305 205 G C -1.996 173.047 174.900 0.238 0.000 1.479 205 G CA -0.728 44.460 45.100 0.146 0.000 0.949 205 G HN 0.993 nan 8.290 nan 0.000 0.651 206 H N 0.105 119.219 119.070 0.072 0.000 2.538 206 H HA 0.759 5.315 4.556 0.000 0.000 0.353 206 H C 0.842 176.215 175.328 0.074 0.000 1.109 206 H CA 1.187 57.270 56.048 0.059 0.000 1.192 206 H CB 1.927 31.700 29.762 0.017 0.000 1.555 206 H HN 1.734 nan 8.280 nan 0.000 0.518 207 S N 2.411 117.904 115.700 -0.346 0.000 4.118 207 S HA -0.321 4.149 4.470 0.000 0.000 0.624 207 S C 1.260 175.863 174.600 0.005 0.000 1.929 207 S CA 1.279 59.426 58.200 -0.089 0.000 4.219 207 S CB -1.468 61.836 63.200 0.172 0.000 0.206 207 S HN 0.831 nan 8.310 nan 0.000 0.525 208 L N 2.946 124.203 121.223 0.057 0.000 2.187 208 L HA 0.161 4.501 4.340 0.000 0.000 0.213 208 L C 2.315 179.139 176.870 -0.077 0.000 1.100 208 L CA 3.057 57.866 54.840 -0.051 0.000 0.765 208 L CB -1.294 40.749 42.059 -0.027 0.000 0.904 208 L HN 0.699 nan 8.230 nan 0.000 0.437 209 G N -1.279 107.539 108.800 0.031 0.000 2.421 209 G HA2 -0.131 3.829 3.960 0.000 0.000 0.217 209 G HA3 -0.131 3.829 3.960 0.000 0.000 0.217 209 G C 1.486 176.444 174.900 0.097 0.000 1.143 209 G CA 0.450 45.611 45.100 0.101 0.000 0.784 209 G HN 0.575 nan 8.290 nan 0.000 0.541 210 G N 0.832 109.660 108.800 0.047 0.000 2.408 210 G HA2 -0.130 3.830 3.960 0.000 0.000 0.217 210 G HA3 -0.130 3.830 3.960 0.000 0.000 0.217 210 G C 1.733 176.627 174.900 -0.010 0.000 1.150 210 G CA 0.722 45.844 45.100 0.036 0.000 0.776 210 G HN 0.428 nan 8.290 nan 0.000 0.542 211 L N 0.711 121.895 121.223 -0.065 0.000 2.042 211 L HA -0.032 4.308 4.340 0.000 0.000 0.210 211 L C 3.086 179.870 176.870 -0.143 0.000 1.076 211 L CA 1.803 56.574 54.840 -0.116 0.000 0.749 211 L CB -0.226 41.723 42.059 -0.183 0.000 0.893 211 L HN 0.260 nan 8.230 nan 0.000 0.432 212 A N -0.929 121.781 122.820 -0.184 0.000 1.972 212 A HA -0.127 4.194 4.320 0.000 0.000 0.219 212 A C 2.164 179.586 177.584 -0.271 0.000 1.169 212 A CA 1.704 53.572 52.037 -0.282 0.000 0.635 212 A CB -0.797 17.924 19.000 -0.465 0.000 0.810 212 A HN 0.358 nan 8.150 nan 0.000 0.446 213 V N 0.882 120.786 119.914 -0.016 0.000 2.307 213 V HA -0.245 3.875 4.120 0.000 0.000 0.245 213 V C 2.262 178.365 176.094 0.015 0.000 1.045 213 V CA 2.016 64.405 62.300 0.147 0.000 1.024 213 V CB -0.866 31.072 31.823 0.192 0.000 0.651 213 V HN 0.588 nan 8.190 nan 0.000 0.449 214 N N -0.066 118.615 118.700 -0.030 0.000 2.166 214 N HA -0.166 4.574 4.740 0.000 0.000 0.186 214 N C 2.158 177.570 175.510 -0.163 0.000 1.019 214 N CA 1.720 54.732 53.050 -0.063 0.000 0.856 214 N CB -0.151 38.331 38.487 -0.009 0.000 0.993 214 N HN 0.463 nan 8.380 nan 0.000 0.426 215 S N 1.256 116.871 115.700 -0.141 0.000 2.348 215 S HA -0.092 4.378 4.470 0.000 0.000 0.221 215 S C 2.009 176.510 174.600 -0.165 0.000 1.033 215 S CA 0.841 58.951 58.200 -0.149 0.000 1.010 215 S CB -0.124 63.026 63.200 -0.084 0.000 0.891 215 S HN 0.240 nan 8.310 nan 0.000 0.442 216 M N 1.004 120.533 119.600 -0.119 0.000 2.080 216 M HA -0.125 4.355 4.480 0.000 0.000 0.260 216 M C 2.194 178.414 176.300 -0.133 0.000 1.068 216 M CA 1.904 57.203 55.300 -0.001 0.000 1.109 216 M CB -0.591 32.065 32.600 0.093 0.000 1.342 216 M HN 0.477 nan 8.290 nan 0.000 0.405 217 A N 0.195 122.698 122.820 -0.528 0.000 1.917 217 A HA -0.152 4.169 4.320 0.000 0.000 0.219 217 A C 2.268 179.391 177.584 -0.769 0.000 1.182 217 A CA 2.157 53.675 52.037 -0.865 0.000 0.633 217 A CB -1.273 17.147 19.000 -0.967 0.000 0.819 217 A HN 0.689 nan 8.150 nan 0.000 0.448 218 A N -1.599 120.608 122.820 -1.023 0.000 2.019 218 A HA -0.120 4.201 4.320 0.000 0.000 0.219 218 A C 1.955 179.227 177.584 -0.520 0.000 1.164 218 A CA 1.501 52.756 52.037 -1.303 0.000 0.644 218 A CB -0.250 18.237 19.000 -0.854 0.000 0.805 218 A HN 0.522 nan 8.150 nan 0.000 0.449 219 Q N -0.270 119.370 119.800 -0.267 0.000 2.319 219 Q HA 0.017 4.357 4.340 0.000 0.000 0.202 219 Q C 1.953 177.960 176.000 0.012 0.000 0.896 219 Q CA 0.966 56.694 55.803 -0.124 0.000 0.942 219 Q CB 0.045 28.729 28.738 -0.089 0.000 1.083 219 Q HN 0.816 nan 8.270 nan 0.000 0.510 220 S N 0.026 115.793 115.700 0.113 0.000 2.461 220 S HA -0.068 4.403 4.470 0.000 0.000 0.228 220 S C 1.197 175.941 174.600 0.240 0.000 1.005 220 S CA 0.635 59.039 58.200 0.341 0.000 0.942 220 S CB 0.122 63.550 63.200 0.381 0.000 0.776 220 S HN 0.098 nan 8.310 nan 0.000 0.514 221 D N 2.203 122.674 120.400 0.117 0.000 2.149 221 D HA 0.172 4.812 4.640 0.000 0.000 0.201 221 D C 2.029 178.368 176.300 0.065 0.000 0.972 221 D CA 1.397 55.457 54.000 0.100 0.000 0.835 221 D CB -0.271 40.577 40.800 0.079 0.000 0.966 221 D HN 0.587 nan 8.370 nan 0.000 0.476 222 A N 0.051 122.877 122.820 0.009 0.000 2.063 222 A HA 0.059 4.379 4.320 0.000 0.000 0.211 222 A C 1.105 178.631 177.584 -0.097 0.000 1.177 222 A CA 0.132 52.144 52.037 -0.041 0.000 0.759 222 A CB 0.242 19.198 19.000 -0.074 0.000 0.857 222 A HN 0.072 nan 8.150 nan 0.000 0.468 223 N N -1.333 117.262 118.700 -0.176 0.000 2.485 223 N HA 0.228 4.968 4.740 0.000 0.000 0.280 223 N C -0.506 174.955 175.510 -0.082 0.000 1.205 223 N CA -0.431 52.361 53.050 -0.430 0.000 0.959 223 N CB 0.410 38.181 38.487 -1.194 0.000 1.206 223 N HN 0.418 nan 8.380 nan 0.000 0.545 224 W N -0.128 121.253 121.300 0.135 0.000 5.538 224 W HA -0.201 4.459 4.660 0.000 0.000 0.377 224 W C 1.036 177.635 176.519 0.133 0.000 1.406 224 W CA 0.643 58.086 57.345 0.164 0.000 0.940 224 W CB -2.259 27.397 29.460 0.327 0.000 2.536 224 W HN 0.989 nan 8.180 nan 0.000 1.504 225 G N -1.058 107.861 108.800 0.199 0.000 2.187 225 G HA2 0.033 3.993 3.960 0.000 0.000 0.261 225 G HA3 0.033 3.993 3.960 0.000 0.000 0.261 225 G C 1.288 176.296 174.900 0.180 0.000 1.000 225 G CA 1.480 46.672 45.100 0.154 0.000 0.718 225 G HN 1.817 nan 8.290 nan 0.000 0.519 226 G N -1.584 107.350 108.800 0.224 0.000 2.162 226 G HA2 -0.255 3.705 3.960 0.000 0.000 0.260 226 G HA3 -0.255 3.705 3.960 0.000 0.000 0.260 226 G C 0.996 176.026 174.900 0.217 0.000 0.976 226 G CA 1.051 46.276 45.100 0.209 0.000 0.655 226 G HN 1.536 nan 8.290 nan 0.000 0.533 227 F N 0.457 120.457 119.950 0.083 0.000 2.154 227 F HA 0.002 4.530 4.527 0.000 0.000 0.301 227 F C 2.030 177.747 175.800 -0.138 0.000 1.087 227 F CA 2.118 60.051 58.000 -0.112 0.000 1.274 227 F CB -0.010 38.787 39.000 -0.337 0.000 1.009 227 F HN 0.268 nan 8.300 nan 0.000 0.485 228 Y N -0.483 119.947 120.300 0.217 0.000 2.468 228 Y HA 0.404 4.954 4.550 0.000 0.000 0.268 228 Y C 2.007 178.027 175.900 0.200 0.000 1.177 228 Y CA 0.059 58.242 58.100 0.138 0.000 1.265 228 Y CB -0.958 37.664 38.460 0.269 0.000 1.103 228 Y HN 0.124 nan 8.280 nan 0.000 0.522 229 A N 0.049 123.030 122.820 0.268 0.000 1.917 229 A HA -0.194 4.126 4.320 0.000 0.000 0.219 229 A C 1.811 179.535 177.584 0.234 0.000 1.182 229 A CA 1.578 53.761 52.037 0.243 0.000 0.633 229 A CB -0.211 18.879 19.000 0.150 0.000 0.819 229 A HN 0.272 nan 8.150 nan 0.000 0.448 230 Q N 0.475 120.349 119.800 0.122 0.000 2.201 230 Q HA 0.276 4.616 4.340 0.000 0.000 0.217 230 Q C 0.020 176.068 176.000 0.081 0.000 0.860 230 Q CA -0.063 55.800 55.803 0.101 0.000 0.984 230 Q CB 0.039 28.788 28.738 0.018 0.000 1.095 230 Q HN 0.517 nan 8.270 nan 0.000 0.477 231 S N 1.839 117.591 115.700 0.085 0.000 2.608 231 S HA 0.211 4.682 4.470 0.000 0.000 0.261 231 S C 0.477 174.969 174.600 -0.181 0.000 1.314 231 S CA -0.384 57.740 58.200 -0.127 0.000 0.992 231 S CB 0.457 63.498 63.200 -0.265 0.000 0.935 231 S HN 0.281 nan 8.310 nan 0.000 0.564 232 N N 1.579 120.106 118.700 -0.288 0.000 2.485 232 N HA 0.223 4.964 4.740 0.000 0.000 0.243 232 N C -1.680 173.588 175.510 -0.403 0.000 0.987 232 N CA 0.007 52.936 53.050 -0.202 0.000 0.940 232 N CB 0.636 39.002 38.487 -0.201 0.000 1.122 232 N HN 0.464 nan 8.380 nan 0.000 0.509 233 Y N 0.694 120.973 120.300 -0.036 0.000 2.385 233 Y HA 0.316 4.867 4.550 0.000 0.000 0.341 233 Y C 0.237 176.054 175.900 -0.139 0.000 0.965 233 Y CA -0.777 57.300 58.100 -0.038 0.000 1.180 233 Y CB 1.185 39.700 38.460 0.092 0.000 1.139 233 Y HN 0.124 nan 8.280 nan 0.000 0.502 234 V N 3.747 123.596 119.914 -0.108 0.000 2.349 234 V HA 0.708 4.828 4.120 0.000 0.000 0.284 234 V C -0.166 175.737 176.094 -0.318 0.000 1.014 234 V CA -0.889 61.255 62.300 -0.259 0.000 0.826 234 V CB 1.073 32.677 31.823 -0.365 0.000 1.009 234 V HN 0.827 nan 8.190 nan 0.000 0.431 235 A N 5.161 127.807 122.820 -0.290 0.000 2.317 235 A HA 0.910 5.230 4.320 0.000 0.000 0.327 235 A C -0.980 176.359 177.584 -0.409 0.000 1.178 235 A CA -0.339 51.567 52.037 -0.218 0.000 0.817 235 A CB 0.625 19.610 19.000 -0.025 0.000 1.189 235 A HN 0.616 nan 8.150 nan 0.000 0.489 236 F N 1.527 121.467 119.950 -0.017 0.000 2.436 236 F HA 0.523 5.050 4.527 0.000 0.000 0.340 236 F C 1.137 176.807 175.800 -0.217 0.000 1.113 236 F CA 0.505 58.460 58.000 -0.075 0.000 1.022 236 F CB 1.906 40.866 39.000 -0.068 0.000 1.128 236 F HN 0.997 nan 8.300 nan 0.000 0.466 237 A N 2.018 124.821 122.820 -0.028 0.000 2.783 237 A HA -0.230 4.090 4.320 0.000 0.000 0.292 237 A C 0.645 178.303 177.584 0.123 0.000 1.495 237 A CA 0.752 52.772 52.037 -0.029 0.000 0.787 237 A CB -2.010 16.654 19.000 -0.561 0.000 1.017 237 A HN 0.687 nan 8.150 nan 0.000 0.516 238 S N 0.033 115.869 115.700 0.228 0.000 2.548 238 S HA 0.490 4.960 4.470 0.000 0.000 0.277 238 S C -0.267 174.371 174.600 0.063 0.000 1.315 238 S CA -0.776 57.483 58.200 0.098 0.000 1.050 238 S CB 0.750 63.987 63.200 0.062 0.000 0.918 238 S HN 0.399 nan 8.310 nan 0.000 0.497 239 P HA 0.052 nan 4.420 nan 0.000 0.225 239 P C 0.468 177.672 177.300 -0.160 0.000 1.156 239 P CA 0.637 63.665 63.100 -0.120 0.000 0.787 239 P CB -0.265 31.357 31.700 -0.129 0.000 0.802 240 T N -2.634 111.846 114.554 -0.122 0.000 2.950 240 T HA 0.648 4.999 4.350 0.000 0.000 0.288 240 T C -0.670 173.948 174.700 -0.137 0.000 1.035 240 T CA -0.675 61.343 62.100 -0.136 0.000 1.028 240 T CB 1.743 70.559 68.868 -0.087 0.000 1.109 240 T HN -0.176 nan 8.240 nan 0.000 0.514 241 Q N 0.478 120.181 119.800 -0.161 0.000 2.323 241 Q HA 0.489 4.829 4.340 0.000 0.000 0.271 241 Q C -1.894 174.090 176.000 -0.028 0.000 1.048 241 Q CA -0.714 55.014 55.803 -0.126 0.000 0.792 241 Q CB 2.045 30.625 28.738 -0.264 0.000 1.280 241 Q HN 0.778 nan 8.270 nan 0.000 0.441 242 Y N 1.669 121.908 120.300 -0.101 0.000 2.342 242 Y HA 0.356 4.906 4.550 0.000 0.000 0.338 242 Y C 0.030 175.891 175.900 -0.064 0.000 0.965 242 Y CA -0.106 57.942 58.100 -0.086 0.000 1.159 242 Y CB 0.979 39.377 38.460 -0.103 0.000 1.157 242 Y HN 0.768 nan 8.280 nan 0.000 0.486 243 E N 3.646 123.507 120.200 -0.564 0.000 2.539 243 E HA 0.292 4.642 4.350 0.000 0.000 0.215 243 E C 0.010 176.318 176.600 -0.487 0.000 0.965 243 E CA -0.178 55.985 56.400 -0.395 0.000 1.019 243 E CB 0.740 30.327 29.700 -0.189 0.000 1.059 243 E HN 0.620 nan 8.360 nan 0.000 0.496 244 A N 0.998 123.337 122.820 -0.801 0.000 2.444 244 A HA 0.452 4.773 4.320 0.000 0.000 0.273 244 A C 1.226 178.587 177.584 -0.372 0.000 1.136 244 A CA 0.845 52.581 52.037 -0.502 0.000 0.799 244 A CB -0.355 18.417 19.000 -0.381 0.000 1.081 244 A HN 0.327 nan 8.150 nan 0.000 0.509 245 G N 1.552 110.258 108.800 -0.156 0.000 2.194 245 G HA2 0.162 4.123 3.960 0.000 0.000 0.236 245 G HA3 0.162 4.123 3.960 0.000 0.000 0.236 245 G C 1.534 176.414 174.900 -0.034 0.000 0.987 245 G CA 0.680 45.755 45.100 -0.043 0.000 0.635 245 G HN 2.701 nan 8.290 nan 0.000 0.520 246 G N -0.143 108.610 108.800 -0.079 0.000 2.246 246 G HA2 -0.278 3.682 3.960 0.000 0.000 0.273 246 G HA3 -0.278 3.682 3.960 0.000 0.000 0.273 246 G C 0.864 175.761 174.900 -0.006 0.000 1.055 246 G CA 1.553 46.620 45.100 -0.055 0.000 0.851 246 G HN 0.910 nan 8.290 nan 0.000 0.500 247 K N -1.370 119.075 120.400 0.076 0.000 2.211 247 K HA 0.264 4.584 4.320 0.000 0.000 0.201 247 K C 0.935 177.757 176.600 0.371 0.000 1.052 247 K CA 0.935 57.358 56.287 0.226 0.000 0.973 247 K CB 0.630 33.268 32.500 0.229 0.000 0.766 247 K HN 0.337 nan 8.250 nan 0.000 0.466 248 V N 2.027 122.097 119.914 0.260 0.000 2.555 248 V HA 0.338 4.458 4.120 0.000 0.000 0.302 248 V C -0.509 175.747 176.094 0.270 0.000 1.038 248 V CA -0.972 61.506 62.300 0.296 0.000 0.887 248 V CB 2.123 34.047 31.823 0.168 0.000 0.991 248 V HN 0.111 nan 8.190 nan 0.000 0.434 249 I N 3.792 124.539 120.570 0.296 0.000 2.354 249 I HA 0.466 4.636 4.170 0.000 0.000 0.292 249 I C -0.429 175.747 176.117 0.098 0.000 0.989 249 I CA -0.311 61.120 61.300 0.218 0.000 1.188 249 I CB 0.985 39.162 38.000 0.294 0.000 1.342 249 I HN 0.590 nan 8.210 nan 0.000 0.457 250 N N 8.841 127.622 118.700 0.136 0.000 2.546 250 N HA 0.424 5.165 4.740 0.000 0.000 0.238 250 N C -0.947 174.725 175.510 0.271 0.000 0.984 250 N CA -0.210 52.945 53.050 0.175 0.000 0.935 250 N CB 1.452 40.068 38.487 0.216 0.000 1.122 250 N HN 0.503 nan 8.380 nan 0.000 0.510 251 I N 1.138 121.732 120.570 0.041 0.000 2.359 251 I HA 0.593 4.763 4.170 0.000 0.000 0.294 251 I C 0.916 176.853 176.117 -0.300 0.000 0.987 251 I CA -0.450 60.843 61.300 -0.012 0.000 1.225 251 I CB 1.784 39.757 38.000 -0.045 0.000 1.366 251 I HN 0.358 nan 8.210 nan 0.000 0.466 252 G N 4.200 112.536 108.800 -0.774 0.000 2.506 252 G HA2 0.448 4.409 3.960 0.000 0.000 0.292 252 G HA3 0.448 4.409 3.960 0.000 0.000 0.292 252 G C -2.038 172.329 174.900 -0.888 0.000 1.425 252 G CA -0.566 43.757 45.100 -1.296 0.000 0.788 252 G HN 0.214 nan 8.290 nan 0.000 0.490 253 Y N 1.077 121.135 120.300 -0.404 0.000 2.308 253 Y HA 0.290 4.841 4.550 0.000 0.000 0.329 253 Y C 1.963 177.959 175.900 0.159 0.000 1.111 253 Y CA -0.272 57.748 58.100 -0.134 0.000 1.179 253 Y CB 1.744 40.078 38.460 -0.209 0.000 1.201 253 Y HN 0.838 nan 8.280 nan 0.000 0.483 254 E N 0.749 121.156 120.200 0.344 0.000 2.204 254 E HA -0.212 4.138 4.350 0.000 0.000 0.194 254 E C 0.575 177.304 176.600 0.216 0.000 0.989 254 E CA 1.446 58.041 56.400 0.325 0.000 0.824 254 E CB -0.137 29.701 29.700 0.230 0.000 0.756 254 E HN 0.697 nan 8.360 nan 0.000 0.477 255 N N 1.233 120.033 118.700 0.167 0.000 2.314 255 N HA -0.063 4.677 4.740 0.000 0.000 0.200 255 N C -0.429 175.273 175.510 0.319 0.000 1.135 255 N CA 0.135 53.301 53.050 0.194 0.000 0.835 255 N CB 0.081 38.662 38.487 0.156 0.000 0.989 255 N HN 0.064 nan 8.380 nan 0.000 0.478 256 D N 2.277 122.862 120.400 0.308 0.000 2.339 256 D HA 0.154 4.794 4.640 0.000 0.000 0.241 256 D C -1.471 174.965 176.300 0.228 0.000 1.183 256 D CA -2.176 51.972 54.000 0.247 0.000 0.859 256 D CB 1.697 42.736 40.800 0.398 0.000 1.067 256 D HN 0.044 nan 8.370 nan 0.000 0.484 257 P HA -0.103 nan 4.420 nan 0.000 0.226 257 P C 1.337 178.600 177.300 -0.062 0.000 1.153 257 P CA 0.291 63.344 63.100 -0.077 0.000 0.777 257 P CB 0.527 31.894 31.700 -0.556 0.000 0.794 258 V N -0.684 118.997 119.914 -0.387 0.000 2.591 258 V HA -0.076 4.045 4.120 0.000 0.000 0.249 258 V C 1.394 177.462 176.094 -0.044 0.000 1.053 258 V CA 0.477 62.526 62.300 -0.419 0.000 1.068 258 V CB -1.211 30.035 31.823 -0.961 0.000 0.689 258 V HN -0.012 nan 8.190 nan 0.000 0.462 259 F N 2.336 122.281 119.950 -0.008 0.000 2.533 259 F HA 0.308 4.835 4.527 0.000 0.000 0.378 259 F C 1.276 177.158 175.800 0.137 0.000 1.070 259 F CA -0.646 57.407 58.000 0.089 0.000 1.172 259 F CB -0.613 38.504 39.000 0.194 0.000 1.085 259 F HN 0.167 nan 8.300 nan 0.000 0.552 260 R N 2.316 122.582 120.500 -0.390 0.000 3.878 260 R HA -0.249 4.091 4.340 0.000 0.000 0.330 260 R C 1.219 177.282 176.300 -0.395 0.000 1.186 260 R CA 0.579 56.442 56.100 -0.395 0.000 0.885 260 R CB -2.166 27.900 30.300 -0.389 0.000 1.377 260 R HN 0.684 nan 8.270 nan 0.000 0.523 261 A N 0.622 123.122 122.820 -0.533 0.000 1.978 261 A HA -0.009 4.312 4.320 0.000 0.000 0.220 261 A C 1.082 178.370 177.584 -0.493 0.000 1.170 261 A CA 0.994 52.501 52.037 -0.883 0.000 0.636 261 A CB 0.029 18.731 19.000 -0.498 0.000 0.810 261 A HN 0.269 nan 8.150 nan 0.000 0.448 262 L N -0.339 120.697 121.223 -0.312 0.000 2.334 262 L HA 0.347 4.687 4.340 0.000 0.000 0.275 262 L C -0.577 176.195 176.870 -0.164 0.000 1.036 262 L CA -0.807 53.906 54.840 -0.211 0.000 0.807 262 L CB 1.207 43.157 42.059 -0.181 0.000 1.231 262 L HN 0.060 nan 8.230 nan 0.000 0.438 263 D N 1.462 121.811 120.400 -0.085 0.000 2.456 263 D HA 0.409 5.049 4.640 0.000 0.000 0.219 263 D C 0.734 177.005 176.300 -0.048 0.000 1.126 263 D CA 0.902 54.905 54.000 0.005 0.000 0.890 263 D CB 0.693 41.527 40.800 0.057 0.000 1.025 263 D HN 0.707 nan 8.370 nan 0.000 0.511 264 G N 3.656 112.364 108.800 -0.153 0.000 2.889 264 G HA2 -0.357 3.603 3.960 0.000 0.000 0.308 264 G HA3 -0.357 3.603 3.960 0.000 0.000 0.308 264 G C 0.894 175.732 174.900 -0.103 0.000 1.248 264 G CA 0.966 45.992 45.100 -0.123 0.000 0.982 264 G HN 0.868 nan 8.290 nan 0.000 0.571 265 T N -2.144 112.374 114.554 -0.060 0.000 3.091 265 T HA 0.622 4.972 4.350 0.000 0.000 0.277 265 T C 0.550 175.213 174.700 -0.063 0.000 0.996 265 T CA 1.088 63.155 62.100 -0.055 0.000 0.897 265 T CB 0.579 69.438 68.868 -0.016 0.000 1.109 265 T HN 0.833 nan 8.240 nan 0.000 0.534 266 S N 2.052 117.715 115.700 -0.062 0.000 2.525 266 S HA 0.593 5.063 4.470 0.000 0.000 0.278 266 S C -0.343 174.201 174.600 -0.094 0.000 1.234 266 S CA -0.745 57.418 58.200 -0.061 0.000 1.058 266 S CB 1.188 64.368 63.200 -0.033 0.000 0.983 266 S HN 0.452 nan 8.310 nan 0.000 0.495 267 L N 4.702 125.854 121.223 -0.119 0.000 2.361 267 L HA 0.403 4.743 4.340 0.000 0.000 0.278 267 L C 0.492 177.316 176.870 -0.078 0.000 1.113 267 L CA 0.680 55.429 54.840 -0.152 0.000 0.849 267 L CB 0.066 41.987 42.059 -0.231 0.000 1.155 267 L HN 0.855 nan 8.230 nan 0.000 0.452 268 T N 1.308 115.827 114.554 -0.058 0.000 2.864 268 T HA 0.322 4.672 4.350 0.000 0.000 0.289 268 T C 0.722 175.428 174.700 0.011 0.000 1.082 268 T CA -0.747 61.344 62.100 -0.014 0.000 1.009 268 T CB 0.786 69.653 68.868 -0.002 0.000 1.234 268 T HN 0.432 nan 8.240 nan 0.000 0.526 269 L N 1.300 122.541 121.223 0.030 0.000 2.042 269 L HA 0.180 4.520 4.340 0.000 0.000 0.210 269 L C -0.822 176.092 176.870 0.074 0.000 1.076 269 L CA 1.765 56.635 54.840 0.050 0.000 0.749 269 L CB -1.607 40.480 42.059 0.047 0.000 0.893 269 L HN 0.590 nan 8.230 nan 0.000 0.432 270 P HA -0.084 nan 4.420 nan 0.000 0.223 270 P C 1.731 179.152 177.300 0.202 0.000 1.144 270 P CA 1.113 64.294 63.100 0.135 0.000 0.783 270 P CB -0.053 31.724 31.700 0.129 0.000 0.771 271 S N -0.440 115.313 115.700 0.088 0.000 2.402 271 S HA -0.096 4.374 4.470 0.000 0.000 0.233 271 S C 1.449 176.121 174.600 0.119 0.000 1.030 271 S CA 1.010 59.214 58.200 0.006 0.000 1.003 271 S CB -0.732 62.411 63.200 -0.096 0.000 0.813 271 S HN 0.229 nan 8.310 nan 0.000 0.477 272 L N 0.386 121.696 121.223 0.144 0.000 2.653 272 L HA 0.316 4.656 4.340 0.000 0.000 0.231 272 L C 1.175 178.153 176.870 0.181 0.000 1.153 272 L CA -0.231 54.704 54.840 0.159 0.000 0.933 272 L CB -0.024 42.120 42.059 0.142 0.000 1.175 272 L HN 0.315 nan 8.230 nan 0.000 0.473 273 G N -0.606 108.337 108.800 0.238 0.000 3.187 273 G HA2 0.404 4.364 3.960 0.000 0.000 0.175 273 G HA3 0.404 4.364 3.960 0.000 0.000 0.175 273 G C -0.851 174.233 174.900 0.307 0.000 1.112 273 G CA -0.265 44.980 45.100 0.242 0.000 0.821 273 G HN -0.256 nan 8.290 nan 0.000 0.636 274 V N 2.499 122.535 119.914 0.203 0.000 2.488 274 V HA 0.331 4.452 4.120 0.000 0.000 0.277 274 V C -0.397 175.686 176.094 -0.018 0.000 1.046 274 V CA -0.289 62.008 62.300 -0.005 0.000 0.986 274 V CB 0.645 32.402 31.823 -0.110 0.000 0.989 274 V HN 0.741 nan 8.190 nan 0.000 0.475 275 H N 1.903 121.026 119.070 0.088 0.000 2.380 275 H HA 0.399 4.955 4.556 0.000 0.000 0.231 275 H C -0.542 174.791 175.328 0.007 0.000 1.415 275 H CA -0.539 55.535 56.048 0.042 0.000 1.433 275 H CB 0.774 30.567 29.762 0.051 0.000 1.544 275 H HN 0.616 nan 8.280 nan 0.000 0.503 276 D N 2.049 122.453 120.400 0.008 0.000 2.440 276 D HA 0.206 4.846 4.640 0.000 0.000 0.216 276 D C 0.719 177.009 176.300 -0.017 0.000 1.150 276 D CA -0.268 53.730 54.000 -0.003 0.000 0.832 276 D CB 0.401 41.179 40.800 -0.036 0.000 0.992 276 D HN 0.660 nan 8.370 nan 0.000 0.502 277 A N 1.711 124.504 122.820 -0.045 0.000 2.520 277 A HA 0.369 4.690 4.320 0.000 0.000 0.245 277 A C -2.105 175.359 177.584 -0.199 0.000 1.072 277 A CA -0.817 51.155 52.037 -0.107 0.000 0.761 277 A CB -0.055 18.869 19.000 -0.127 0.000 1.004 277 A HN 0.200 nan 8.150 nan 0.000 0.499 278 P HA 0.185 nan 4.420 nan 0.000 0.275 278 P C -0.727 176.423 177.300 -0.251 0.000 1.227 278 P CA 0.165 63.191 63.100 -0.123 0.000 0.781 278 P CB 0.580 32.262 31.700 -0.031 0.000 0.906 279 H N 0.941 120.000 119.070 -0.019 0.000 2.463 279 H HA 0.124 4.680 4.556 0.000 0.000 0.332 279 H C 1.515 176.841 175.328 -0.003 0.000 1.127 279 H CA 0.009 56.041 56.048 -0.027 0.000 1.238 279 H CB 1.653 31.379 29.762 -0.059 0.000 1.478 279 H HN 0.434 nan 8.280 nan 0.000 0.499 280 T N -0.826 113.799 114.554 0.119 0.000 2.833 280 T HA -0.191 4.159 4.350 0.000 0.000 0.269 280 T C 1.842 176.585 174.700 0.072 0.000 1.054 280 T CA 1.512 63.651 62.100 0.065 0.000 1.135 280 T CB -0.222 68.663 68.868 0.029 0.000 0.869 280 T HN 0.505 nan 8.240 nan 0.000 0.466 281 S N 0.893 116.640 115.700 0.080 0.000 2.603 281 S HA 0.587 5.058 4.470 0.000 0.000 0.220 281 S C 0.747 175.426 174.600 0.132 0.000 0.967 281 S CA -0.275 57.974 58.200 0.082 0.000 0.920 281 S CB -0.324 62.904 63.200 0.048 0.000 0.773 281 S HN 0.865 nan 8.310 nan 0.000 0.529 282 A N 1.944 124.859 122.820 0.159 0.000 2.337 282 A HA 0.664 4.984 4.320 0.000 0.000 0.331 282 A C 0.268 177.999 177.584 0.244 0.000 1.137 282 A CA -0.560 51.620 52.037 0.238 0.000 0.807 282 A CB 0.802 19.933 19.000 0.219 0.000 1.250 282 A HN 0.458 nan 8.150 nan 0.000 0.468 283 T N 0.249 114.992 114.554 0.316 0.000 2.738 283 T HA 0.207 4.558 4.350 0.000 0.000 0.294 283 T C 0.189 175.073 174.700 0.307 0.000 0.914 283 T CA -0.582 61.666 62.100 0.247 0.000 1.052 283 T CB -0.056 68.948 68.868 0.227 0.000 0.897 283 T HN 0.531 nan 8.240 nan 0.000 0.522 284 N N 3.086 121.915 118.700 0.215 0.000 2.336 284 N HA 0.021 4.761 4.740 0.000 0.000 0.189 284 N C 0.075 175.703 175.510 0.196 0.000 1.113 284 N CA 0.017 53.199 53.050 0.221 0.000 0.858 284 N CB 0.295 38.863 38.487 0.135 0.000 0.970 284 N HN 0.608 nan 8.380 nan 0.000 0.471 285 N N 0.674 119.457 118.700 0.138 0.000 2.536 285 N HA 0.241 4.981 4.740 0.000 0.000 0.286 285 N C -0.637 174.882 175.510 0.014 0.000 1.577 285 N CA -0.052 53.037 53.050 0.066 0.000 0.883 285 N CB 1.373 39.852 38.487 -0.014 0.000 1.390 285 N HN 0.113 nan 8.380 nan 0.000 0.491 286 I N 1.034 121.657 120.570 0.088 0.000 2.331 286 I HA 0.295 4.465 4.170 0.000 0.000 0.292 286 I C 0.104 176.325 176.117 0.173 0.000 0.998 286 I CA -0.841 60.520 61.300 0.101 0.000 1.267 286 I CB 1.550 39.597 38.000 0.078 0.000 1.386 286 I HN -0.328 nan 8.210 nan 0.000 0.476 287 V N 5.671 125.640 119.914 0.091 0.000 2.394 287 V HA 0.195 4.315 4.120 0.000 0.000 0.282 287 V C 0.296 176.253 176.094 -0.228 0.000 1.031 287 V CA -0.684 61.564 62.300 -0.087 0.000 0.881 287 V CB 1.591 33.303 31.823 -0.186 0.000 0.982 287 V HN 0.660 nan 8.190 nan 0.000 0.451 288 N N 4.182 122.514 118.700 -0.613 0.000 2.482 288 N HA 0.098 4.838 4.740 0.000 0.000 0.242 288 N C -0.733 174.390 175.510 -0.646 0.000 1.100 288 N CA -0.240 52.200 53.050 -1.017 0.000 0.946 288 N CB 0.083 37.639 38.487 -1.552 0.000 1.227 288 N HN 0.572 nan 8.380 nan 0.000 0.508 289 F N 4.385 124.055 119.950 -0.467 0.000 2.619 289 F HA 0.201 4.728 4.527 0.000 0.000 0.350 289 F C 0.209 175.941 175.800 -0.112 0.000 1.259 289 F CA -0.715 57.145 58.000 -0.233 0.000 1.204 289 F CB -0.279 38.685 39.000 -0.059 0.000 1.556 289 F HN 0.457 nan 8.300 nan 0.000 0.650 290 N N 0.956 119.491 118.700 -0.274 0.000 2.741 290 N HA 0.248 4.988 4.740 0.000 0.000 0.310 290 N C 0.397 175.891 175.510 -0.026 0.000 1.295 290 N CA -0.727 52.243 53.050 -0.133 0.000 0.893 290 N CB 0.297 38.472 38.487 -0.520 0.000 1.247 290 N HN 0.078 nan 8.380 nan 0.000 0.596 291 D N -1.603 118.909 120.400 0.187 0.000 2.178 291 D HA -0.191 4.449 4.640 0.000 0.000 0.201 291 D C 1.332 177.733 176.300 0.168 0.000 0.980 291 D CA 1.248 55.380 54.000 0.221 0.000 0.842 291 D CB -0.366 40.655 40.800 0.368 0.000 0.948 291 D HN 0.620 nan 8.370 nan 0.000 0.472 292 H N -0.548 118.472 119.070 -0.084 0.000 2.299 292 H HA -0.174 4.382 4.556 0.000 0.000 0.302 292 H C 1.996 177.314 175.328 -0.016 0.000 1.078 292 H CA 1.326 57.295 56.048 -0.131 0.000 1.323 292 H CB -0.487 29.039 29.762 -0.393 0.000 1.381 292 H HN 0.197 nan 8.280 nan 0.000 0.498 293 Y N 1.144 121.390 120.300 -0.090 0.000 2.207 293 Y HA -0.200 4.350 4.550 0.000 0.000 0.287 293 Y C 2.699 178.396 175.900 -0.338 0.000 1.156 293 Y CA 1.992 59.971 58.100 -0.202 0.000 1.182 293 Y CB -0.552 37.696 38.460 -0.354 0.000 0.979 293 Y HN 0.309 nan 8.280 nan 0.000 0.521 294 A N -1.073 121.536 122.820 -0.353 0.000 2.066 294 A HA -0.030 4.291 4.320 0.000 0.000 0.218 294 A C 1.497 179.034 177.584 -0.079 0.000 1.157 294 A CA 0.925 52.785 52.037 -0.296 0.000 0.670 294 A CB -0.743 18.181 19.000 -0.127 0.000 0.804 294 A HN 0.305 nan 8.150 nan 0.000 0.453 295 S N 0.282 115.969 115.700 -0.023 0.000 2.439 295 S HA 0.230 4.700 4.470 0.000 0.000 0.282 295 S C 0.369 174.974 174.600 0.008 0.000 1.170 295 S CA -0.630 57.614 58.200 0.072 0.000 1.054 295 S CB 0.207 63.585 63.200 0.297 0.000 0.956 295 S HN 0.359 nan 8.310 nan 0.000 0.490 296 D N 4.749 125.149 120.400 0.000 0.000 2.123 296 D HA -0.102 4.538 4.640 0.000 0.000 0.196 296 D C 2.162 178.455 176.300 -0.011 0.000 0.992 296 D CA 1.675 55.666 54.000 -0.015 0.000 0.833 296 D CB -0.481 40.314 40.800 -0.007 0.000 0.954 296 D HN 0.688 nan 8.370 nan 0.000 0.455 297 A N 0.201 123.004 122.820 -0.029 0.000 1.883 297 A HA -0.190 4.130 4.320 0.000 0.000 0.217 297 A C 2.249 179.779 177.584 -0.091 0.000 1.186 297 A CA 1.454 53.435 52.037 -0.093 0.000 0.624 297 A CB -1.336 17.559 19.000 -0.175 0.000 0.822 297 A HN 0.342 nan 8.150 nan 0.000 0.444 298 W N 0.255 121.516 121.300 -0.065 0.000 2.363 298 W HA -0.090 4.570 4.660 0.000 0.000 0.296 298 W C 1.737 178.200 176.519 -0.094 0.000 1.212 298 W CA 1.032 58.322 57.345 -0.090 0.000 1.260 298 W CB -0.068 29.230 29.460 -0.270 0.000 1.131 298 W HN 0.328 nan 8.180 nan 0.000 0.530 299 N N 0.437 119.199 118.700 0.103 0.000 2.383 299 N HA 0.034 4.774 4.740 0.000 0.000 0.192 299 N C 1.335 176.899 175.510 0.090 0.000 1.141 299 N CA 0.500 53.604 53.050 0.090 0.000 0.851 299 N CB -0.135 38.354 38.487 0.003 0.000 0.976 299 N HN 0.269 nan 8.380 nan 0.000 0.465 300 L N 0.319 121.586 121.223 0.073 0.000 2.275 300 L HA -0.006 4.334 4.340 0.000 0.000 0.215 300 L C 0.801 177.726 176.870 0.092 0.000 1.119 300 L CA 0.696 55.570 54.840 0.057 0.000 0.790 300 L CB -0.152 41.920 42.059 0.021 0.000 0.919 300 L HN 0.074 nan 8.230 nan 0.000 0.443 301 L N 0.227 121.537 121.223 0.145 0.000 2.395 301 L HA 0.253 4.594 4.340 0.000 0.000 0.269 301 L C -2.062 174.920 176.870 0.188 0.000 1.133 301 L CA -2.060 52.883 54.840 0.172 0.000 0.812 301 L CB -0.037 42.168 42.059 0.242 0.000 1.125 301 L HN -0.204 nan 8.230 nan 0.000 0.452 302 P HA 0.042 nan 4.420 nan 0.000 0.276 302 P C -0.699 176.734 177.300 0.221 0.000 1.235 302 P CA -0.228 62.978 63.100 0.178 0.000 0.772 302 P CB 0.293 32.075 31.700 0.137 0.000 0.871 303 F N 3.115 123.130 119.950 0.108 0.000 2.543 303 F HA 0.341 4.868 4.527 0.000 0.000 0.375 303 F C 0.478 176.330 175.800 0.085 0.000 1.075 303 F CA 1.236 59.298 58.000 0.103 0.000 1.225 303 F CB 0.311 39.352 39.000 0.069 0.000 1.099 303 F HN 0.276 nan 8.300 nan 0.000 0.561 304 S N 5.837 121.293 115.700 -0.406 0.000 2.580 304 S HA 0.207 4.677 4.470 0.000 0.000 0.281 304 S C 0.286 174.758 174.600 -0.213 0.000 1.129 304 S CA -0.842 57.251 58.200 -0.178 0.000 0.862 304 S CB 0.802 64.020 63.200 0.031 0.000 1.090 304 S HN 0.844 nan 8.310 nan 0.000 0.451 305 I N 3.703 124.239 120.570 -0.057 0.000 2.700 305 I HA -0.042 4.128 4.170 0.000 0.000 0.261 305 I C 1.154 177.459 176.117 0.313 0.000 1.219 305 I CA 1.247 62.602 61.300 0.090 0.000 1.463 305 I CB -0.025 38.038 38.000 0.104 0.000 1.092 305 I HN 0.717 nan 8.210 nan 0.000 0.452 306 L N 0.148 121.476 121.223 0.175 0.000 2.492 306 L HA 0.014 4.354 4.340 0.000 0.000 0.223 306 L C 0.742 177.684 176.870 0.120 0.000 1.132 306 L CA 0.032 54.961 54.840 0.149 0.000 0.850 306 L CB -0.639 41.488 42.059 0.113 0.000 0.966 306 L HN 0.238 nan 8.230 nan 0.000 0.454 307 N N 1.033 119.805 118.700 0.120 0.000 2.500 307 N HA 0.084 4.824 4.740 0.000 0.000 0.236 307 N C 0.941 176.545 175.510 0.158 0.000 1.022 307 N CA -0.197 52.922 53.050 0.116 0.000 0.935 307 N CB 0.755 39.297 38.487 0.091 0.000 1.147 307 N HN -0.089 nan 8.380 nan 0.000 0.512 308 I N 4.805 125.439 120.570 0.106 0.000 2.208 308 I HA -0.110 4.060 4.170 0.000 0.000 0.245 308 I C -0.664 175.538 176.117 0.140 0.000 1.097 308 I CA 0.630 61.953 61.300 0.038 0.000 1.363 308 I CB -2.234 35.730 38.000 -0.059 0.000 1.051 308 I HN 0.449 nan 8.210 nan 0.000 0.413 309 P HA -0.175 nan 4.420 nan 0.000 0.217 309 P C 1.767 178.995 177.300 -0.121 0.000 1.148 309 P CA 2.242 65.399 63.100 0.095 0.000 0.834 309 P CB -0.342 31.378 31.700 0.033 0.000 0.783 310 T N -5.569 108.880 114.554 -0.176 0.000 2.977 310 T HA -0.173 4.178 4.350 0.000 0.000 0.271 310 T C 1.371 175.919 174.700 -0.254 0.000 1.105 310 T CA 0.559 62.379 62.100 -0.467 0.000 1.116 310 T CB -1.244 67.366 68.868 -0.430 0.000 0.878 310 T HN 0.064 nan 8.240 nan 0.000 0.509 311 W N 0.802 121.958 121.300 -0.239 0.000 2.538 311 W HA 0.257 4.917 4.660 0.000 0.000 0.254 311 W C 1.926 178.358 176.519 -0.145 0.000 1.249 311 W CA -0.369 56.898 57.345 -0.130 0.000 1.253 311 W CB -0.852 28.573 29.460 -0.059 0.000 1.130 311 W HN 0.266 nan 8.180 nan 0.000 0.618 312 L N 0.524 121.691 121.223 -0.093 0.000 2.051 312 L HA -0.288 4.053 4.340 0.000 0.000 0.214 312 L C 2.118 178.839 176.870 -0.248 0.000 1.076 312 L CA 2.247 56.922 54.840 -0.276 0.000 0.758 312 L CB -1.031 40.606 42.059 -0.705 0.000 0.890 312 L HN -0.222 nan 8.230 nan 0.000 0.433 313 S N -2.001 113.520 115.700 -0.299 0.000 2.555 313 S HA -0.146 4.324 4.470 0.000 0.000 0.230 313 S C 1.626 176.238 174.600 0.021 0.000 0.978 313 S CA 0.908 58.906 58.200 -0.338 0.000 0.934 313 S CB -0.609 62.418 63.200 -0.289 0.000 0.766 313 S HN 0.699 nan 8.310 nan 0.000 0.533 314 H N 0.847 119.914 119.070 -0.004 0.000 2.562 314 H HA 0.344 4.900 4.556 0.000 0.000 0.267 314 H C 0.313 175.740 175.328 0.164 0.000 0.959 314 H CA -0.104 56.021 56.048 0.128 0.000 1.204 314 H CB -0.122 29.595 29.762 -0.076 0.000 1.430 314 H HN 0.227 nan 8.280 nan 0.000 0.545 315 L N 2.138 123.332 121.223 -0.047 0.000 2.490 315 L HA 0.046 4.386 4.340 0.000 0.000 0.274 315 L C -1.134 175.439 176.870 -0.495 0.000 1.201 315 L CA -1.201 53.403 54.840 -0.393 0.000 0.869 315 L CB 0.635 42.291 42.059 -0.672 0.000 1.123 315 L HN 0.200 nan 8.230 nan 0.000 0.484 316 P HA -0.218 nan 4.420 nan 0.000 0.216 316 P C 1.397 178.483 177.300 -0.356 0.000 1.150 316 P CA 1.320 63.950 63.100 -0.783 0.000 0.837 316 P CB -0.001 31.069 31.700 -1.049 0.000 0.786 317 F N -2.299 117.463 119.950 -0.313 0.000 2.216 317 F HA -0.091 4.436 4.527 0.000 0.000 0.300 317 F C 1.750 177.484 175.800 -0.111 0.000 1.085 317 F CA 0.930 58.796 58.000 -0.224 0.000 1.326 317 F CB -1.848 36.998 39.000 -0.257 0.000 1.027 317 F HN -0.233 nan 8.300 nan 0.000 0.497 318 F N -0.199 119.385 119.950 -0.610 0.000 2.234 318 F HA -0.079 4.448 4.527 0.000 0.000 0.299 318 F C 2.147 177.972 175.800 0.042 0.000 1.087 318 F CA 0.869 58.703 58.000 -0.277 0.000 1.340 318 F CB -1.281 37.446 39.000 -0.456 0.000 1.031 318 F HN -0.030 nan 8.300 nan 0.000 0.500 319 Y N -0.222 120.131 120.300 0.088 0.000 2.133 319 Y HA -0.212 4.339 4.550 0.000 0.000 0.287 319 Y C 2.733 178.579 175.900 -0.090 0.000 1.134 319 Y CA 1.696 59.785 58.100 -0.019 0.000 1.133 319 Y CB -0.890 37.455 38.460 -0.191 0.000 0.987 319 Y HN -0.038 nan 8.280 nan 0.000 0.502 320 Q N 0.760 120.571 119.800 0.019 0.000 2.002 320 Q HA -0.251 4.089 4.340 0.000 0.000 0.204 320 Q C 1.888 177.924 176.000 0.059 0.000 0.988 320 Q CA 2.206 57.991 55.803 -0.031 0.000 0.843 320 Q CB -0.609 28.108 28.738 -0.035 0.000 0.908 320 Q HN 0.555 nan 8.270 nan 0.000 0.420 321 D N -1.494 118.984 120.400 0.130 0.000 2.137 321 D HA -0.082 4.558 4.640 0.000 0.000 0.202 321 D C 1.753 178.167 176.300 0.190 0.000 0.970 321 D CA 1.194 55.291 54.000 0.160 0.000 0.837 321 D CB 0.005 40.929 40.800 0.207 0.000 0.981 321 D HN 0.379 nan 8.370 nan 0.000 0.475 322 G N 1.274 110.218 108.800 0.240 0.000 2.404 322 G HA2 -0.162 3.798 3.960 0.000 0.000 0.215 322 G HA3 -0.162 3.798 3.960 0.000 0.000 0.215 322 G C 1.963 177.005 174.900 0.237 0.000 1.174 322 G CA 0.304 45.564 45.100 0.267 0.000 0.780 322 G HN 0.285 nan 8.290 nan 0.000 0.537 323 L N 0.120 121.464 121.223 0.201 0.000 2.217 323 L HA 0.017 4.358 4.340 0.000 0.000 0.211 323 L C 2.952 180.017 176.870 0.325 0.000 1.107 323 L CA 0.325 55.320 54.840 0.259 0.000 0.783 323 L CB -0.318 41.884 42.059 0.238 0.000 0.919 323 L HN 0.146 nan 8.230 nan 0.000 0.442 324 M N -0.431 119.313 119.600 0.241 0.000 2.229 324 M HA -0.140 4.340 4.480 0.000 0.000 0.264 324 M C 2.294 178.695 176.300 0.169 0.000 1.063 324 M CA 1.562 56.989 55.300 0.212 0.000 1.114 324 M CB -0.964 31.716 32.600 0.134 0.000 1.387 324 M HN 0.197 nan 8.290 nan 0.000 0.420 325 R N -0.590 120.010 120.500 0.166 0.000 2.115 325 R HA -0.061 4.279 4.340 0.000 0.000 0.230 325 R C 2.217 178.607 176.300 0.150 0.000 1.111 325 R CA 0.956 57.143 56.100 0.145 0.000 0.976 325 R CB -0.328 30.063 30.300 0.152 0.000 0.870 325 R HN 0.207 nan 8.270 nan 0.000 0.445 326 V N 1.332 121.357 119.914 0.184 0.000 2.261 326 V HA -0.241 3.880 4.120 0.000 0.000 0.246 326 V C 2.212 178.397 176.094 0.152 0.000 1.047 326 V CA 1.540 63.937 62.300 0.162 0.000 1.015 326 V CB -0.505 31.425 31.823 0.179 0.000 0.642 326 V HN 0.235 nan 8.190 nan 0.000 0.446 327 L N 0.885 122.207 121.223 0.164 0.000 2.043 327 L HA -0.217 4.123 4.340 0.000 0.000 0.212 327 L C 1.812 178.579 176.870 -0.171 0.000 1.075 327 L CA 2.265 57.057 54.840 -0.081 0.000 0.752 327 L CB -0.804 41.281 42.059 0.043 0.000 0.891 327 L HN 0.408 nan 8.230 nan 0.000 0.432 328 N N -1.405 117.286 118.700 -0.014 0.000 2.322 328 N HA 0.019 4.760 4.740 0.000 0.000 0.194 328 N C 0.168 175.685 175.510 0.012 0.000 1.126 328 N CA 0.016 53.057 53.050 -0.014 0.000 0.845 328 N CB 0.146 38.645 38.487 0.020 0.000 0.976 328 N HN 0.226 nan 8.380 nan 0.000 0.475 329 S N 0.791 116.522 115.700 0.052 0.000 2.560 329 S HA -0.058 4.412 4.470 0.000 0.000 0.284 329 S C 1.329 175.932 174.600 0.004 0.000 1.327 329 S CA -0.305 57.934 58.200 0.065 0.000 1.055 329 S CB 0.976 64.262 63.200 0.143 0.000 0.868 329 S HN 0.330 nan 8.310 nan 0.000 0.506 330 E N 2.680 122.800 120.200 -0.133 0.000 2.267 330 E HA -0.152 4.199 4.350 0.000 0.000 0.197 330 E C 0.254 176.696 176.600 -0.263 0.000 0.998 330 E CA 1.255 57.495 56.400 -0.266 0.000 0.830 330 E CB -0.057 29.363 29.700 -0.466 0.000 0.751 330 E HN 0.830 nan 8.360 nan 0.000 0.491 331 F N -0.901 119.095 119.950 0.077 0.000 2.693 331 F HA 0.115 4.643 4.527 0.000 0.000 0.303 331 F C 1.363 177.099 175.800 -0.107 0.000 1.097 331 F CA -0.308 57.712 58.000 0.035 0.000 1.330 331 F CB -0.448 38.652 39.000 0.166 0.000 1.067 331 F HN 0.080 nan 8.300 nan 0.000 0.565 332 Y N 1.640 121.907 120.300 -0.056 0.000 2.151 332 Y HA -0.335 4.215 4.550 0.000 0.000 0.284 332 Y C 2.584 178.360 175.900 -0.206 0.000 1.166 332 Y CA 1.951 59.935 58.100 -0.193 0.000 1.163 332 Y CB -0.374 37.996 38.460 -0.152 0.000 0.974 332 Y HN 0.108 nan 8.280 nan 0.000 0.511 333 S N -0.749 114.931 115.700 -0.033 0.000 2.555 333 S HA -0.073 4.397 4.470 0.000 0.000 0.230 333 S C 1.504 175.996 174.600 -0.181 0.000 0.978 333 S CA 0.979 59.135 58.200 -0.073 0.000 0.934 333 S CB -0.699 62.529 63.200 0.047 0.000 0.766 333 S HN 0.531 nan 8.310 nan 0.000 0.533 334 L N 1.928 122.977 121.223 -0.291 0.000 2.592 334 L HA 0.176 4.516 4.340 0.000 0.000 0.227 334 L C 1.199 177.577 176.870 -0.820 0.000 1.127 334 L CA 0.196 54.725 54.840 -0.518 0.000 0.884 334 L CB -0.371 41.501 42.059 -0.312 0.000 1.065 334 L HN 0.449 nan 8.230 nan 0.000 0.457 335 T N -3.339 110.740 114.554 -0.790 0.000 2.902 335 T HA 0.393 4.743 4.350 0.000 0.000 0.280 335 T C -0.346 174.052 174.700 -0.503 0.000 0.992 335 T CA -0.798 60.803 62.100 -0.832 0.000 1.015 335 T CB 2.106 70.309 68.868 -1.109 0.000 1.044 335 T HN -0.101 nan 8.240 nan 0.000 0.520 336 D N -0.126 120.075 120.400 -0.331 0.000 2.531 336 D HA 0.265 4.906 4.640 0.000 0.000 0.244 336 D C 0.921 177.117 176.300 -0.173 0.000 1.090 336 D CA -0.864 53.043 54.000 -0.155 0.000 0.989 336 D CB 2.351 43.156 40.800 0.009 0.000 1.433 336 D HN 0.676 nan 8.370 nan 0.000 0.492 337 K N 0.016 120.362 120.400 -0.090 0.000 2.089 337 K HA -0.190 4.130 4.320 0.000 0.000 0.210 337 K C 0.238 176.827 176.600 -0.019 0.000 1.048 337 K CA 1.625 57.889 56.287 -0.039 0.000 0.926 337 K CB 0.156 32.671 32.500 0.026 0.000 0.714 337 K HN 0.273 nan 8.250 nan 0.000 0.448 338 D N 0.543 120.940 120.400 -0.005 0.000 2.424 338 D HA 0.082 4.722 4.640 0.000 0.000 0.220 338 D C -0.529 175.778 176.300 0.012 0.000 1.150 338 D CA 0.066 54.079 54.000 0.021 0.000 0.831 338 D CB 0.635 41.461 40.800 0.044 0.000 0.981 338 D HN 0.036 nan 8.370 nan 0.000 0.500 339 S N 0.545 116.227 115.700 -0.030 0.000 2.552 339 S HA 0.036 4.507 4.470 0.000 0.000 0.289 339 S C 0.620 175.227 174.600 0.011 0.000 1.304 339 S CA 0.210 58.417 58.200 0.011 0.000 1.063 339 S CB 0.727 63.862 63.200 -0.108 0.000 0.848 339 S HN 0.099 nan 8.310 nan 0.000 0.499 340 T N 4.601 119.186 114.554 0.052 0.000 2.751 340 T HA 0.307 4.658 4.350 0.000 0.000 0.290 340 T C 0.103 174.848 174.700 0.076 0.000 0.919 340 T CA 0.154 62.216 62.100 -0.063 0.000 1.136 340 T CB -0.536 68.237 68.868 -0.158 0.000 0.875 340 T HN 0.378 nan 8.240 nan 0.000 0.532 341 I N 4.810 125.391 120.570 0.019 0.000 2.447 341 I HA 0.371 4.541 4.170 0.000 0.000 0.287 341 I C -0.525 175.637 176.117 0.075 0.000 1.023 341 I CA -1.008 60.343 61.300 0.085 0.000 1.083 341 I CB 1.742 39.748 38.000 0.009 0.000 1.245 341 I HN 0.342 nan 8.210 nan 0.000 0.434 342 I N 7.162 127.796 120.570 0.106 0.000 2.312 342 I HA 0.308 4.478 4.170 0.000 0.000 0.290 342 I C -0.008 176.172 176.117 0.105 0.000 1.008 342 I CA -0.689 60.666 61.300 0.092 0.000 1.226 342 I CB 1.413 39.466 38.000 0.088 0.000 1.371 342 I HN 0.152 nan 8.210 nan 0.000 0.468 343 V N 5.167 125.144 119.914 0.104 0.000 2.347 343 V HA 0.214 4.334 4.120 0.000 0.000 0.280 343 V C 0.724 176.888 176.094 0.118 0.000 1.021 343 V CA -0.620 61.756 62.300 0.127 0.000 0.847 343 V CB 1.537 33.468 31.823 0.180 0.000 0.990 343 V HN 0.846 nan 8.190 nan 0.000 0.444 344 S N 4.731 120.508 115.700 0.128 0.000 2.498 344 S HA 0.184 4.654 4.470 0.000 0.000 0.281 344 S C 0.536 175.264 174.600 0.213 0.000 1.265 344 S CA -0.164 58.131 58.200 0.157 0.000 1.071 344 S CB -0.190 63.073 63.200 0.105 0.000 0.894 344 S HN 0.770 nan 8.310 nan 0.000 0.491 345 N N 4.713 123.565 118.700 0.253 0.000 2.536 345 N HA 0.244 4.984 4.740 0.000 0.000 0.286 345 N C -0.884 174.903 175.510 0.461 0.000 1.577 345 N CA -0.191 53.059 53.050 0.333 0.000 0.883 345 N CB 0.425 38.956 38.487 0.072 0.000 1.390 345 N HN 0.522 nan 8.380 nan 0.000 0.491 346 L N 0.868 122.334 121.223 0.405 0.000 2.453 346 L HA 0.296 4.636 4.340 0.000 0.000 0.261 346 L C 1.403 178.445 176.870 0.287 0.000 1.179 346 L CA -0.316 54.736 54.840 0.355 0.000 0.813 346 L CB 0.655 42.877 42.059 0.270 0.000 1.110 346 L HN 0.148 nan 8.230 nan 0.000 0.466 347 S N 0.426 116.120 115.700 -0.010 0.000 2.617 347 S HA 0.113 4.583 4.470 0.000 0.000 0.259 347 S C 0.801 175.407 174.600 0.009 0.000 1.301 347 S CA -0.656 57.412 58.200 -0.221 0.000 0.984 347 S CB 0.634 63.500 63.200 -0.558 0.000 0.954 347 S HN 0.599 nan 8.310 nan 0.000 0.572 348 N N 0.330 119.044 118.700 0.024 0.000 2.381 348 N HA -0.046 4.695 4.740 0.000 0.000 0.182 348 N C 1.552 177.068 175.510 0.009 0.000 1.025 348 N CA 0.755 53.826 53.050 0.035 0.000 0.888 348 N CB -0.838 37.670 38.487 0.035 0.000 0.965 348 N HN 0.453 nan 8.380 nan 0.000 0.438 349 V N 0.535 120.443 119.914 -0.010 0.000 2.667 349 V HA -0.119 4.001 4.120 0.000 0.000 0.252 349 V C 2.157 178.263 176.094 0.021 0.000 1.065 349 V CA 2.070 64.372 62.300 0.003 0.000 1.083 349 V CB -0.672 31.153 31.823 0.003 0.000 0.692 349 V HN 0.526 nan 8.190 nan 0.000 0.468 350 T N -3.109 111.464 114.554 0.031 0.000 2.971 350 T HA 0.063 4.413 4.350 0.000 0.000 0.252 350 T C 1.807 176.535 174.700 0.045 0.000 1.022 350 T CA 0.101 62.236 62.100 0.058 0.000 0.980 350 T CB -0.050 68.882 68.868 0.107 0.000 1.044 350 T HN 0.276 nan 8.240 nan 0.000 0.501 351 R N 1.298 121.820 120.500 0.036 0.000 2.127 351 R HA 0.020 4.360 4.340 0.000 0.000 0.238 351 R C 2.369 178.626 176.300 -0.072 0.000 1.134 351 R CA 1.607 57.713 56.100 0.010 0.000 0.975 351 R CB -0.709 29.609 30.300 0.030 0.000 0.865 351 R HN 0.506 nan 8.270 nan 0.000 0.447 352 G N -0.465 108.297 108.800 -0.063 0.000 2.920 352 G HA2 -0.137 3.824 3.960 0.000 0.000 0.208 352 G HA3 -0.137 3.824 3.960 0.000 0.000 0.208 352 G C 0.353 175.177 174.900 -0.125 0.000 1.159 352 G CA 0.365 45.403 45.100 -0.104 0.000 0.784 352 G HN 0.605 nan 8.290 nan 0.000 0.535 353 N N -1.677 116.966 118.700 -0.096 0.000 2.116 353 N HA 0.132 4.873 4.740 0.000 0.000 0.230 353 N C -0.248 175.236 175.510 -0.043 0.000 1.326 353 N CA -0.180 52.831 53.050 -0.065 0.000 0.867 353 N CB 0.690 39.179 38.487 0.003 0.000 1.174 353 N HN -0.101 nan 8.380 nan 0.000 0.506 354 T N 0.425 114.928 114.554 -0.085 0.000 2.841 354 T HA 0.305 4.655 4.350 0.000 0.000 0.285 354 T C -1.245 173.412 174.700 -0.072 0.000 0.991 354 T CA -0.406 61.721 62.100 0.045 0.000 0.966 354 T CB 0.866 69.845 68.868 0.185 0.000 0.962 354 T HN 0.130 nan 8.240 nan 0.000 0.438 355 W N 2.468 123.814 121.300 0.076 0.000 2.311 355 W HA 0.458 5.118 4.660 0.000 0.000 0.310 355 W C -0.077 176.361 176.519 -0.134 0.000 1.274 355 W CA -0.669 56.666 57.345 -0.016 0.000 1.215 355 W CB 0.492 29.945 29.460 -0.011 0.000 1.227 355 W HN 0.309 nan 8.180 nan 0.000 0.523 356 V N 4.886 124.701 119.914 -0.164 0.000 2.427 356 V HA 0.221 4.341 4.120 0.000 0.000 0.268 356 V C 0.133 176.007 176.094 -0.366 0.000 1.046 356 V CA -0.362 61.499 62.300 -0.732 0.000 0.970 356 V CB -0.149 31.364 31.823 -0.515 0.000 1.001 356 V HN 0.636 nan 8.190 nan 0.000 0.476 357 E N 2.457 122.413 120.200 -0.407 0.000 2.423 357 E HA 0.337 4.687 4.350 0.000 0.000 0.280 357 E C -1.466 175.250 176.600 0.193 0.000 1.030 357 E CA -0.987 55.417 56.400 0.005 0.000 0.812 357 E CB 1.601 31.366 29.700 0.107 0.000 1.313 357 E HN 0.350 nan 8.360 nan 0.000 0.456 358 D N 1.945 122.470 120.400 0.210 0.000 2.470 358 D HA 0.146 4.786 4.640 0.000 0.000 0.226 358 D C 0.611 177.094 176.300 0.305 0.000 1.196 358 D CA -0.114 54.072 54.000 0.310 0.000 0.979 358 D CB 0.244 41.208 40.800 0.272 0.000 1.059 358 D HN 0.534 nan 8.370 nan 0.000 0.515 359 L N 2.819 124.283 121.223 0.401 0.000 2.291 359 L HA -0.024 4.316 4.340 0.000 0.000 0.214 359 L C 1.235 178.189 176.870 0.140 0.000 1.120 359 L CA 0.224 55.197 54.840 0.222 0.000 0.799 359 L CB -0.631 41.488 42.059 0.101 0.000 0.925 359 L HN 0.533 nan 8.230 nan 0.000 0.446 360 N N 0.255 119.096 118.700 0.236 0.000 2.725 360 N HA -0.222 4.518 4.740 0.000 0.000 0.249 360 N C 0.314 175.817 175.510 -0.011 0.000 1.103 360 N CA 0.148 53.210 53.050 0.019 0.000 0.707 360 N CB -0.423 37.974 38.487 -0.150 0.000 1.043 360 N HN 0.258 nan 8.380 nan 0.000 0.553 361 R N 0.626 121.151 120.500 0.041 0.000 2.537 361 R HA 0.071 4.411 4.340 0.000 0.000 0.280 361 R C 0.211 176.477 176.300 -0.057 0.000 1.058 361 R CA 0.457 56.505 56.100 -0.087 0.000 1.057 361 R CB 0.136 30.231 30.300 -0.342 0.000 0.973 361 R HN 0.419 nan 8.270 nan 0.000 0.438 362 N N 0.250 118.867 118.700 -0.138 0.000 2.714 362 N HA -0.283 4.458 4.740 0.000 0.000 0.253 362 N C -1.436 173.892 175.510 -0.303 0.000 1.024 362 N CA 0.630 53.509 53.050 -0.285 0.000 0.726 362 N CB -0.435 37.727 38.487 -0.542 0.000 0.908 362 N HN 0.668 nan 8.380 nan 0.000 0.542 363 A N -0.295 122.422 122.820 -0.173 0.000 2.608 363 A HA 0.471 4.791 4.320 0.000 0.000 0.292 363 A C -0.684 176.831 177.584 -0.115 0.000 1.066 363 A CA -0.845 51.117 52.037 -0.124 0.000 0.676 363 A CB 1.135 20.108 19.000 -0.045 0.000 1.277 363 A HN 0.195 nan 8.150 nan 0.000 0.413 364 E N 0.780 120.940 120.200 -0.067 0.000 2.418 364 E HA 0.253 4.603 4.350 0.000 0.000 0.261 364 E C -0.237 176.301 176.600 -0.104 0.000 1.070 364 E CA 0.220 56.587 56.400 -0.053 0.000 0.931 364 E CB 0.370 30.066 29.700 -0.007 0.000 0.954 364 E HN 0.564 nan 8.360 nan 0.000 0.439 365 T N 2.521 117.027 114.554 -0.080 0.000 2.867 365 T HA 0.004 4.354 4.350 0.000 0.000 0.297 365 T C -0.049 174.645 174.700 -0.010 0.000 0.989 365 T CA 0.194 62.236 62.100 -0.098 0.000 1.159 365 T CB -0.081 68.766 68.868 -0.035 0.000 0.928 365 T HN 0.296 nan 8.240 nan 0.000 0.538 366 H N 1.171 120.271 119.070 0.050 0.000 2.690 366 H HA 0.435 4.991 4.556 0.000 0.000 0.365 366 H C 0.823 176.183 175.328 0.054 0.000 1.142 366 H CA -0.561 55.523 56.048 0.059 0.000 1.417 366 H CB 0.647 30.455 29.762 0.076 0.000 1.446 366 H HN 0.689 nan 8.280 nan 0.000 0.599 367 S N 0.940 116.756 115.700 0.194 0.000 2.651 367 S HA 0.735 5.206 4.470 0.000 0.000 0.279 367 S C 0.090 174.754 174.600 0.107 0.000 1.148 367 S CA -0.408 57.866 58.200 0.123 0.000 0.837 367 S CB 2.076 65.332 63.200 0.092 0.000 1.138 367 S HN 1.213 nan 8.310 nan 0.000 0.478 368 G N 0.971 109.826 108.800 0.091 0.000 2.760 368 G HA2 0.016 3.976 3.960 0.000 0.000 0.246 368 G HA3 0.016 3.976 3.960 0.000 0.000 0.246 368 G C -2.963 171.983 174.900 0.076 0.000 1.359 368 G CA -0.450 44.705 45.100 0.092 0.000 0.861 368 G HN 0.867 nan 8.290 nan 0.000 0.541 369 P HA 0.425 nan 4.420 nan 0.000 0.272 369 P C -0.258 177.010 177.300 -0.053 0.000 1.230 369 P CA 0.181 63.278 63.100 -0.005 0.000 0.788 369 P CB 0.780 32.503 31.700 0.038 0.000 0.949 370 T N 1.912 116.383 114.554 -0.139 0.000 2.807 370 T HA 0.503 4.854 4.350 0.000 0.000 0.279 370 T C -0.439 174.148 174.700 -0.190 0.000 0.993 370 T CA -0.082 61.978 62.100 -0.067 0.000 0.970 370 T CB 0.237 69.106 68.868 0.000 0.000 0.950 370 T HN 0.120 nan 8.240 nan 0.000 0.441 371 F N 2.748 122.719 119.950 0.035 0.000 2.436 371 F HA 0.594 5.121 4.527 0.000 0.000 0.340 371 F C 0.338 176.175 175.800 0.062 0.000 1.113 371 F CA -1.072 56.951 58.000 0.038 0.000 1.022 371 F CB 1.037 40.028 39.000 -0.015 0.000 1.128 371 F HN 0.286 nan 8.300 nan 0.000 0.466 372 I N 5.275 125.991 120.570 0.244 0.000 2.410 372 I HA 0.333 4.504 4.170 0.000 0.000 0.286 372 I C -0.911 175.355 176.117 0.249 0.000 1.009 372 I CA -0.665 60.754 61.300 0.198 0.000 1.111 372 I CB 1.518 39.602 38.000 0.140 0.000 1.262 372 I HN 0.348 nan 8.210 nan 0.000 0.443 373 I N 5.489 126.187 120.570 0.213 0.000 2.330 373 I HA 0.357 4.528 4.170 0.000 0.000 0.289 373 I C 0.967 177.186 176.117 0.170 0.000 1.001 373 I CA -0.027 61.404 61.300 0.220 0.000 1.193 373 I CB 0.868 38.988 38.000 0.201 0.000 1.345 373 I HN 0.606 nan 8.210 nan 0.000 0.461 374 G N 4.881 113.785 108.800 0.173 0.000 2.516 374 G HA2 0.443 4.404 3.960 0.000 0.000 0.276 374 G HA3 0.443 4.404 3.960 0.000 0.000 0.276 374 G C 0.082 175.053 174.900 0.117 0.000 1.390 374 G CA -0.190 44.981 45.100 0.118 0.000 1.050 374 G HN 0.668 nan 8.290 nan 0.000 0.519 375 S N -1.997 113.758 115.700 0.092 0.000 2.739 375 S HA 0.372 4.842 4.470 0.000 0.000 0.306 375 S C 0.075 174.718 174.600 0.072 0.000 1.115 375 S CA -0.583 57.674 58.200 0.095 0.000 0.985 375 S CB 2.041 65.302 63.200 0.103 0.000 1.133 375 S HN 0.335 nan 8.310 nan 0.000 0.541 376 D N 0.705 121.143 120.400 0.064 0.000 2.363 376 D HA 0.223 4.863 4.640 0.000 0.000 0.226 376 D C 0.964 177.285 176.300 0.034 0.000 1.020 376 D CA 0.432 54.461 54.000 0.048 0.000 0.892 376 D CB -0.410 40.414 40.800 0.041 0.000 0.900 376 D HN 0.629 nan 8.370 nan 0.000 0.531 377 G N -0.102 108.718 108.800 0.032 0.000 2.568 377 G HA2 0.193 4.153 3.960 0.000 0.000 0.293 377 G HA3 0.193 4.153 3.960 0.000 0.000 0.293 377 G C -0.009 174.890 174.900 -0.002 0.000 1.347 377 G CA -0.572 44.538 45.100 0.017 0.000 1.039 377 G HN -0.066 nan 8.290 nan 0.000 0.523 378 N N 1.487 120.174 118.700 -0.021 0.000 2.402 378 N HA 0.260 5.001 4.740 0.000 0.000 0.252 378 N C -0.870 174.577 175.510 -0.106 0.000 1.118 378 N CA -0.048 52.969 53.050 -0.055 0.000 0.945 378 N CB 1.034 39.491 38.487 -0.050 0.000 1.147 378 N HN 0.303 nan 8.380 nan 0.000 0.495 379 D N 1.390 121.697 120.400 -0.156 0.000 2.228 379 D HA 0.385 5.025 4.640 0.000 0.000 0.247 379 D C 0.079 176.152 176.300 -0.379 0.000 0.995 379 D CA -0.373 53.496 54.000 -0.218 0.000 0.903 379 D CB 1.989 42.685 40.800 -0.173 0.000 1.205 379 D HN 0.201 nan 8.370 nan 0.000 0.459 380 L N 1.940 122.875 121.223 -0.480 0.000 2.298 380 L HA 0.505 4.845 4.340 0.000 0.000 0.284 380 L C -0.315 176.323 176.870 -0.386 0.000 1.013 380 L CA -0.527 53.815 54.840 -0.829 0.000 0.824 380 L CB 0.998 42.115 42.059 -1.570 0.000 1.221 380 L HN 0.140 nan 8.230 nan 0.000 0.418 381 I N 3.843 124.364 120.570 -0.082 0.000 2.466 381 I HA 0.379 4.549 4.170 0.000 0.000 0.289 381 I C -0.405 175.940 176.117 0.379 0.000 1.026 381 I CA -0.491 60.889 61.300 0.133 0.000 1.078 381 I CB 2.241 40.261 38.000 0.032 0.000 1.249 381 I HN 0.493 nan 8.210 nan 0.000 0.429 382 K N 4.872 125.449 120.400 0.294 0.000 2.502 382 K HA 0.644 4.964 4.320 0.000 0.000 0.254 382 K C -0.314 176.339 176.600 0.088 0.000 0.947 382 K CA -0.457 55.916 56.287 0.143 0.000 0.834 382 K CB 1.730 34.218 32.500 -0.020 0.000 1.112 382 K HN 0.761 nan 8.250 nan 0.000 0.427 383 G N 1.851 110.700 108.800 0.081 0.000 2.476 383 G HA2 0.474 4.435 3.960 0.000 0.000 0.286 383 G HA3 0.474 4.435 3.960 0.000 0.000 0.286 383 G C 0.011 174.922 174.900 0.017 0.000 1.177 383 G CA -0.603 44.527 45.100 0.050 0.000 0.870 383 G HN 0.695 nan 8.290 nan 0.000 0.528 384 G N -0.654 108.156 108.800 0.017 0.000 2.510 384 G HA2 0.321 4.281 3.960 0.000 0.000 0.280 384 G HA3 0.321 4.281 3.960 0.000 0.000 0.280 384 G C 0.815 175.715 174.900 -0.000 0.000 1.386 384 G CA -0.595 44.513 45.100 0.012 0.000 1.047 384 G HN 0.533 nan 8.290 nan 0.000 0.527 385 K N -0.437 119.965 120.400 0.004 0.000 2.365 385 K HA 0.044 4.364 4.320 0.000 0.000 0.199 385 K C 1.588 178.190 176.600 0.004 0.000 1.045 385 K CA 0.539 56.825 56.287 -0.001 0.000 0.962 385 K CB 0.046 32.549 32.500 0.005 0.000 0.759 385 K HN 0.391 nan 8.250 nan 0.000 0.469 386 G N 0.991 109.798 108.800 0.011 0.000 2.574 386 G HA2 0.080 4.040 3.960 0.000 0.000 0.248 386 G HA3 0.080 4.040 3.960 0.000 0.000 0.248 386 G C -0.435 174.458 174.900 -0.011 0.000 1.422 386 G CA -0.674 44.437 45.100 0.020 0.000 1.051 386 G HN 0.063 nan 8.290 nan 0.000 0.560 387 N N 0.983 119.670 118.700 -0.022 0.000 2.444 387 N HA 0.367 5.107 4.740 0.000 0.000 0.271 387 N C -1.294 174.073 175.510 -0.239 0.000 1.069 387 N CA 0.002 52.986 53.050 -0.110 0.000 0.965 387 N CB 1.574 40.015 38.487 -0.075 0.000 1.092 387 N HN 0.357 nan 8.380 nan 0.000 0.476 388 D N 0.494 120.674 120.400 -0.367 0.000 2.527 388 D HA 0.360 5.001 4.640 0.000 0.000 0.233 388 D C -0.982 174.877 176.300 -0.734 0.000 1.063 388 D CA -0.328 53.432 54.000 -0.401 0.000 0.880 388 D CB 1.256 41.948 40.800 -0.181 0.000 1.457 388 D HN 0.345 nan 8.370 nan 0.000 0.475 389 Y N 0.967 120.941 120.300 -0.542 0.000 2.376 389 Y HA 0.431 4.981 4.550 0.000 0.000 0.326 389 Y C -0.634 175.032 175.900 -0.389 0.000 0.970 389 Y CA -0.820 56.809 58.100 -0.784 0.000 1.248 389 Y CB 0.956 38.594 38.460 -1.370 0.000 1.117 389 Y HN 0.072 nan 8.280 nan 0.000 0.476 390 L N 3.670 124.886 121.223 -0.012 0.000 2.305 390 L HA 0.520 4.860 4.340 0.000 0.000 0.284 390 L C -0.337 176.812 176.870 0.466 0.000 1.013 390 L CA -0.614 54.376 54.840 0.250 0.000 0.819 390 L CB 2.005 44.206 42.059 0.236 0.000 1.227 390 L HN 0.578 nan 8.230 nan 0.000 0.417 391 E N 1.738 122.263 120.200 0.541 0.000 2.145 391 E HA 0.322 4.673 4.350 0.000 0.000 0.262 391 E C 0.572 177.426 176.600 0.423 0.000 0.883 391 E CA -0.327 56.362 56.400 0.481 0.000 0.748 391 E CB 1.798 31.755 29.700 0.428 0.000 1.140 391 E HN 0.755 nan 8.360 nan 0.000 0.417 392 G N 3.921 113.018 108.800 0.495 0.000 2.430 392 G HA2 -0.068 3.892 3.960 0.000 0.000 0.216 392 G HA3 -0.068 3.892 3.960 0.000 0.000 0.216 392 G C 0.532 175.549 174.900 0.196 0.000 1.146 392 G CA 0.328 45.657 45.100 0.381 0.000 0.793 392 G HN 0.711 nan 8.290 nan 0.000 0.537 393 R N -0.550 120.052 120.500 0.171 0.000 3.819 393 R HA -0.153 4.187 4.340 0.000 0.000 0.488 393 R C -0.651 175.704 176.300 0.091 0.000 0.241 393 R CA 0.917 57.082 56.100 0.107 0.000 1.530 393 R CB -1.358 28.999 30.300 0.096 0.000 1.019 393 R HN 0.291 nan 8.270 nan 0.000 0.557 394 D N 0.320 120.761 120.400 0.068 0.000 2.369 394 D HA 0.430 5.071 4.640 0.000 0.000 0.241 394 D C 0.826 177.156 176.300 0.051 0.000 1.271 394 D CA 1.493 55.527 54.000 0.056 0.000 0.942 394 D CB 0.148 40.974 40.800 0.044 0.000 1.129 394 D HN 0.804 nan 8.370 nan 0.000 0.476 395 G N 0.245 109.072 108.800 0.046 0.000 2.730 395 G HA2 -0.136 3.825 3.960 0.000 0.000 0.686 395 G HA3 -0.136 3.825 3.960 0.000 0.000 0.686 395 G C -1.227 173.699 174.900 0.043 0.000 1.343 395 G CA -0.812 44.309 45.100 0.035 0.000 0.826 395 G HN 0.443 nan 8.290 nan 0.000 0.582 396 D N 1.724 122.147 120.400 0.038 0.000 2.365 396 D HA 0.433 5.073 4.640 0.000 0.000 0.237 396 D C -0.013 176.280 176.300 -0.011 0.000 1.190 396 D CA 0.179 54.213 54.000 0.057 0.000 0.867 396 D CB 0.871 41.725 40.800 0.090 0.000 1.050 396 D HN 0.353 nan 8.370 nan 0.000 0.491 397 D N 1.709 122.087 120.400 -0.037 0.000 2.198 397 D HA 0.437 5.077 4.640 0.000 0.000 0.247 397 D C 0.408 176.545 176.300 -0.273 0.000 1.010 397 D CA -0.417 53.447 54.000 -0.226 0.000 0.880 397 D CB 2.120 42.736 40.800 -0.306 0.000 1.209 397 D HN 0.233 nan 8.370 nan 0.000 0.451 398 I N 1.490 121.819 120.570 -0.403 0.000 2.406 398 I HA 0.339 4.509 4.170 0.000 0.000 0.290 398 I C -0.708 175.236 176.117 -0.288 0.000 0.999 398 I CA -0.741 60.437 61.300 -0.203 0.000 1.124 398 I CB 1.053 39.016 38.000 -0.063 0.000 1.289 398 I HN 0.076 nan 8.210 nan 0.000 0.441 399 F N 4.748 124.770 119.950 0.120 0.000 2.480 399 F HA 0.664 5.191 4.527 0.000 0.000 0.329 399 F C 0.318 175.985 175.800 -0.221 0.000 1.091 399 F CA -0.634 57.423 58.000 0.095 0.000 0.972 399 F CB 1.615 40.719 39.000 0.174 0.000 1.150 399 F HN 0.269 nan 8.300 nan 0.000 0.467 400 R N 0.780 121.277 120.500 -0.004 0.000 2.837 400 R HA 0.506 4.846 4.340 0.000 0.000 0.271 400 R C -1.828 174.406 176.300 -0.111 0.000 0.993 400 R CA -1.066 54.825 56.100 -0.350 0.000 0.931 400 R CB 2.541 32.556 30.300 -0.476 0.000 1.206 400 R HN 0.648 nan 8.270 nan 0.000 0.474 401 D N -0.007 120.350 120.400 -0.073 0.000 2.937 401 D HA 0.209 4.850 4.640 0.000 0.000 0.215 401 D C -0.583 175.733 176.300 0.027 0.000 1.274 401 D CA -0.298 53.737 54.000 0.058 0.000 0.869 401 D CB 2.304 43.218 40.800 0.190 0.000 1.675 401 D HN 0.602 nan 8.370 nan 0.000 0.538 402 A N 1.895 124.709 122.820 -0.010 0.000 2.218 402 A HA 0.567 4.887 4.320 0.000 0.000 0.209 402 A C 0.983 178.556 177.584 -0.018 0.000 1.168 402 A CA 1.225 53.248 52.037 -0.024 0.000 0.804 402 A CB 0.044 19.024 19.000 -0.033 0.000 0.834 402 A HN 0.772 nan 8.150 nan 0.000 0.482 403 G N -3.715 105.072 108.800 -0.022 0.000 2.343 403 G HA2 0.537 4.498 3.960 0.000 0.000 0.289 403 G HA3 0.537 4.498 3.960 0.000 0.000 0.289 403 G C 0.355 175.202 174.900 -0.088 0.000 1.295 403 G CA 0.225 45.292 45.100 -0.054 0.000 0.869 403 G HN 1.972 nan 8.290 nan 0.000 0.522 404 G N -1.426 107.291 108.800 -0.139 0.000 2.593 404 G HA2 0.147 4.107 3.960 0.000 0.000 0.237 404 G HA3 0.147 4.107 3.960 0.000 0.000 0.237 404 G C -0.553 174.144 174.900 -0.339 0.000 1.312 404 G CA 0.290 45.311 45.100 -0.131 0.000 0.896 404 G HN 1.616 nan 8.290 nan 0.000 0.574 405 Y N 1.864 122.110 120.300 -0.091 0.000 2.328 405 Y HA 0.606 5.156 4.550 0.000 0.000 0.336 405 Y C 0.620 176.378 175.900 -0.236 0.000 0.960 405 Y CA -0.831 57.197 58.100 -0.120 0.000 1.134 405 Y CB 1.861 40.274 38.460 -0.078 0.000 1.166 405 Y HN 0.578 nan 8.280 nan 0.000 0.464 406 N N 4.003 122.607 118.700 -0.160 0.000 2.242 406 N HA 0.560 5.300 4.740 0.000 0.000 0.292 406 N C -1.622 173.698 175.510 -0.316 0.000 1.125 406 N CA -0.768 52.092 53.050 -0.318 0.000 0.783 406 N CB 2.806 41.155 38.487 -0.231 0.000 1.558 406 N HN 0.467 nan 8.380 nan 0.000 0.472 407 L N 1.663 122.629 121.223 -0.428 0.000 2.329 407 L HA 0.629 4.970 4.340 0.000 0.000 0.279 407 L C -0.409 176.389 176.870 -0.120 0.000 1.014 407 L CA -0.725 53.998 54.840 -0.195 0.000 0.814 407 L CB 1.715 43.781 42.059 0.012 0.000 1.257 407 L HN 0.367 nan 8.230 nan 0.000 0.424 408 I N 2.502 123.023 120.570 -0.082 0.000 2.447 408 I HA 0.448 4.619 4.170 0.000 0.000 0.287 408 I C -0.227 175.832 176.117 -0.097 0.000 1.023 408 I CA -0.491 60.709 61.300 -0.167 0.000 1.083 408 I CB 2.131 39.875 38.000 -0.427 0.000 1.245 408 I HN 0.630 nan 8.210 nan 0.000 0.434 409 A N 4.296 127.134 122.820 0.031 0.000 2.322 409 A HA 0.582 4.903 4.320 0.000 0.000 0.327 409 A C 1.063 178.663 177.584 0.026 0.000 1.394 409 A CA -0.340 51.699 52.037 0.003 0.000 0.921 409 A CB 0.631 19.607 19.000 -0.040 0.000 1.153 409 A HN 0.951 nan 8.150 nan 0.000 0.523 410 G N 1.658 110.462 108.800 0.006 0.000 2.443 410 G HA2 0.365 4.325 3.960 0.000 0.000 0.219 410 G HA3 0.365 4.325 3.960 0.000 0.000 0.219 410 G C 1.162 176.188 174.900 0.209 0.000 1.131 410 G CA 0.846 46.072 45.100 0.210 0.000 0.775 410 G HN 2.096 nan 8.290 nan 0.000 0.547 411 G N -0.100 108.763 108.800 0.105 0.000 2.601 411 G HA2 -0.271 3.689 3.960 0.000 0.000 0.252 411 G HA3 -0.271 3.689 3.960 0.000 0.000 0.252 411 G C 0.095 175.039 174.900 0.073 0.000 1.294 411 G CA 0.054 45.201 45.100 0.077 0.000 0.912 411 G HN 0.617 nan 8.290 nan 0.000 0.574 412 K N 0.730 121.168 120.400 0.063 0.000 2.187 412 K HA 0.491 4.812 4.320 0.000 0.000 0.247 412 K C 0.977 177.622 176.600 0.074 0.000 1.019 412 K CA 0.738 57.061 56.287 0.059 0.000 0.893 412 K CB 0.056 32.585 32.500 0.048 0.000 1.025 412 K HN 2.348 nan 8.250 nan 0.000 0.500 413 G N 0.281 109.125 108.800 0.075 0.000 2.728 413 G HA2 -0.240 3.720 3.960 0.000 0.000 0.294 413 G HA3 -0.240 3.720 3.960 0.000 0.000 0.294 413 G C -1.129 173.844 174.900 0.123 0.000 1.342 413 G CA -0.634 44.523 45.100 0.095 0.000 0.866 413 G HN 0.808 nan 8.290 nan 0.000 0.534 414 H N 2.072 121.173 119.070 0.051 0.000 2.820 414 H HA 0.345 4.901 4.556 0.000 0.000 0.278 414 H C -0.117 175.256 175.328 0.076 0.000 1.142 414 H CA -0.316 55.767 56.048 0.057 0.000 1.346 414 H CB -0.262 29.524 29.762 0.040 0.000 1.438 414 H HN 0.473 nan 8.280 nan 0.000 0.473 415 N N 5.945 124.556 118.700 -0.148 0.000 2.456 415 N HA 0.326 5.066 4.740 0.000 0.000 0.296 415 N C -0.194 175.296 175.510 -0.034 0.000 1.102 415 N CA -0.514 52.544 53.050 0.013 0.000 0.924 415 N CB 2.403 41.013 38.487 0.205 0.000 1.186 415 N HN 0.522 nan 8.380 nan 0.000 0.492 416 I N 1.051 121.695 120.570 0.124 0.000 2.509 416 I HA 0.357 4.527 4.170 0.000 0.000 0.293 416 I C -0.920 175.392 176.117 0.323 0.000 1.020 416 I CA -0.884 60.511 61.300 0.159 0.000 1.088 416 I CB 1.844 39.924 38.000 0.134 0.000 1.267 416 I HN 0.346 nan 8.210 nan 0.000 0.430 417 F N 5.182 125.230 119.950 0.164 0.000 2.427 417 F HA 0.387 4.915 4.527 0.000 0.000 0.346 417 F C -0.342 175.540 175.800 0.136 0.000 1.120 417 F CA -0.401 57.707 58.000 0.179 0.000 1.033 417 F CB 0.990 40.041 39.000 0.086 0.000 1.126 417 F HN 0.352 nan 8.300 nan 0.000 0.462 418 D N 3.747 123.868 120.400 -0.464 0.000 2.392 418 D HA 0.138 4.778 4.640 0.000 0.000 0.228 418 D C 0.928 177.004 176.300 -0.373 0.000 1.074 418 D CA -0.171 53.680 54.000 -0.248 0.000 0.838 418 D CB 1.589 42.314 40.800 -0.125 0.000 1.067 418 D HN 0.663 nan 8.370 nan 0.000 0.511 419 T N 0.707 115.242 114.554 -0.031 0.000 3.067 419 T HA -0.077 4.274 4.350 0.000 0.000 0.261 419 T C 0.974 175.664 174.700 -0.017 0.000 1.110 419 T CA 0.504 62.646 62.100 0.069 0.000 1.113 419 T CB -0.247 68.723 68.868 0.169 0.000 0.917 419 T HN 0.620 nan 8.240 nan 0.000 0.499 420 Q N 0.591 120.364 119.800 -0.045 0.000 2.406 420 Q HA -0.232 4.108 4.340 0.000 0.000 0.236 420 Q C 0.043 176.032 176.000 -0.018 0.000 0.799 420 Q CA 1.363 57.135 55.803 -0.052 0.000 1.286 420 Q CB -1.592 27.081 28.738 -0.108 0.000 1.615 420 Q HN 0.991 nan 8.270 nan 0.000 0.621 421 Q N -2.082 117.724 119.800 0.010 0.000 2.737 421 Q HA 0.785 5.126 4.340 0.000 0.000 0.307 421 Q C -1.122 174.896 176.000 0.030 0.000 0.905 421 Q CA -0.466 55.346 55.803 0.014 0.000 0.753 421 Q CB 0.940 29.683 28.738 0.007 0.000 1.463 421 Q HN 0.153 nan 8.270 nan 0.000 0.455 422 A N 0.866 123.699 122.820 0.022 0.000 2.540 422 A HA 0.147 4.467 4.320 0.000 0.000 0.239 422 A C 0.677 178.275 177.584 0.024 0.000 1.061 422 A CA -0.247 51.805 52.037 0.025 0.000 0.758 422 A CB 0.010 19.017 19.000 0.012 0.000 0.991 422 A HN 0.731 nan 8.150 nan 0.000 0.502 423 L N 2.683 123.920 121.223 0.023 0.000 2.131 423 L HA -0.178 4.162 4.340 0.000 0.000 0.210 423 L C 2.522 179.386 176.870 -0.010 0.000 1.092 423 L CA 2.590 57.421 54.840 -0.016 0.000 0.759 423 L CB -0.508 41.496 42.059 -0.092 0.000 0.903 423 L HN 0.889 nan 8.230 nan 0.000 0.435 424 K N -1.763 118.638 120.400 0.001 0.000 2.360 424 K HA -0.138 4.182 4.320 0.000 0.000 0.201 424 K C 1.260 177.867 176.600 0.012 0.000 1.046 424 K CA 1.566 57.857 56.287 0.006 0.000 0.940 424 K CB -0.505 31.998 32.500 0.005 0.000 0.748 424 K HN 0.298 nan 8.250 nan 0.000 0.465 425 N N 0.441 119.148 118.700 0.013 0.000 2.412 425 N HA 0.003 4.743 4.740 0.000 0.000 0.184 425 N C -0.509 175.013 175.510 0.021 0.000 1.101 425 N CA 0.572 53.631 53.050 0.015 0.000 0.881 425 N CB 0.637 39.131 38.487 0.012 0.000 0.969 425 N HN 0.171 nan 8.380 nan 0.000 0.459 426 T N 0.733 115.303 114.554 0.026 0.000 2.824 426 T HA 0.297 4.647 4.350 0.000 0.000 0.282 426 T C -0.290 174.443 174.700 0.056 0.000 0.993 426 T CA -0.683 61.439 62.100 0.037 0.000 0.967 426 T CB 2.151 71.039 68.868 0.034 0.000 0.960 426 T HN -0.027 nan 8.240 nan 0.000 0.441 427 E N 1.768 122.027 120.200 0.099 0.000 2.259 427 E HA 0.457 4.807 4.350 0.000 0.000 0.281 427 E C -0.758 175.944 176.600 0.170 0.000 1.037 427 E CA -0.562 55.945 56.400 0.178 0.000 0.854 427 E CB 1.083 30.949 29.700 0.278 0.000 1.051 427 E HN 0.233 nan 8.360 nan 0.000 0.409 428 V N 2.237 122.229 119.914 0.130 0.000 2.487 428 V HA 0.723 4.843 4.120 0.000 0.000 0.298 428 V C -0.192 175.900 176.094 -0.004 0.000 1.028 428 V CA -0.570 61.750 62.300 0.033 0.000 0.860 428 V CB 1.403 33.250 31.823 0.039 0.000 0.991 428 V HN 0.817 nan 8.190 nan 0.000 0.427 429 A N 3.878 126.518 122.820 -0.299 0.000 2.564 429 A HA 0.965 5.285 4.320 0.000 0.000 0.288 429 A C -2.062 175.161 177.584 -0.601 0.000 1.164 429 A CA -0.638 51.102 52.037 -0.496 0.000 0.712 429 A CB 2.136 20.517 19.000 -1.031 0.000 1.303 429 A HN 0.929 nan 8.150 nan 0.000 0.418 430 Y N 0.736 120.396 120.300 -1.066 0.000 2.442 430 Y HA 0.417 4.967 4.550 0.001 0.000 0.330 430 Y C -0.445 174.852 175.900 -1.005 0.000 1.100 430 Y CA -1.089 56.406 58.100 -1.009 0.000 1.034 430 Y CB 1.963 39.626 38.460 -1.328 0.000 1.285 430 Y HN 0.774 nan 8.280 nan 0.000 0.440 431 D N 1.887 121.528 120.400 -1.265 0.000 2.340 431 D HA 0.286 4.926 4.640 0.000 0.000 0.217 431 D C 1.466 177.293 176.300 -0.788 0.000 1.081 431 D CA 0.769 54.065 54.000 -1.174 0.000 0.842 431 D CB 0.399 40.525 40.800 -1.123 0.000 0.934 431 D HN 0.993 nan 8.370 nan 0.000 0.511 432 G N 0.446 108.528 108.800 -1.197 0.000 2.238 432 G HA2 -0.310 3.650 3.960 0.000 0.000 0.217 432 G HA3 -0.310 3.650 3.960 0.000 0.000 0.217 432 G C 0.791 175.195 174.900 -0.826 0.000 0.996 432 G CA 0.251 44.847 45.100 -0.840 0.000 0.632 432 G HN 0.510 nan 8.290 nan 0.000 0.503 433 N N -0.876 117.286 118.700 -0.897 0.000 2.354 433 N HA 0.055 4.795 4.740 0.000 0.000 0.253 433 N C -0.352 174.958 175.510 -0.334 0.000 1.096 433 N CA 1.042 53.840 53.050 -0.420 0.000 0.820 433 N CB 0.823 39.166 38.487 -0.239 0.000 1.610 433 N HN 0.233 nan 8.380 nan 0.000 0.501 434 T N 2.088 116.366 114.554 -0.461 0.000 2.797 434 T HA 0.410 4.760 4.350 0.000 0.000 0.279 434 T C -0.687 173.839 174.700 -0.288 0.000 0.991 434 T CA -0.428 61.470 62.100 -0.337 0.000 0.979 434 T CB 2.280 70.911 68.868 -0.394 0.000 0.943 434 T HN 0.072 nan 8.240 nan 0.000 0.444 435 L N 4.241 125.361 121.223 -0.172 0.000 2.305 435 L HA 0.435 4.775 4.340 0.000 0.000 0.281 435 L C -1.326 175.291 176.870 -0.422 0.000 1.085 435 L CA -0.379 54.375 54.840 -0.143 0.000 0.813 435 L CB -0.046 41.927 42.059 -0.143 0.000 1.157 435 L HN 0.602 nan 8.230 nan 0.000 0.436 436 Y N 5.744 125.806 120.300 -0.396 0.000 2.328 436 Y HA 0.591 5.141 4.550 0.000 0.000 0.337 436 Y C -0.475 175.215 175.900 -0.351 0.000 0.966 436 Y CA -0.684 57.170 58.100 -0.410 0.000 1.136 436 Y CB 1.244 39.296 38.460 -0.680 0.000 1.170 436 Y HN 0.359 nan 8.280 nan 0.000 0.470 437 L N 4.618 125.762 121.223 -0.131 0.000 2.381 437 L HA 0.634 4.974 4.340 0.000 0.000 0.274 437 L C -0.522 176.364 176.870 0.026 0.000 0.988 437 L CA -0.860 53.928 54.840 -0.086 0.000 0.824 437 L CB 2.282 44.193 42.059 -0.246 0.000 1.263 437 L HN 0.543 nan 8.230 nan 0.000 0.410 438 R N 1.971 122.548 120.500 0.128 0.000 2.439 438 R HA 0.336 4.676 4.340 0.000 0.000 0.310 438 R C -0.929 175.392 176.300 0.034 0.000 0.955 438 R CA -0.601 55.560 56.100 0.102 0.000 0.853 438 R CB 1.417 31.838 30.300 0.202 0.000 1.171 438 R HN 0.736 nan 8.270 nan 0.000 0.449 439 D N 3.383 123.766 120.400 -0.030 0.000 2.433 439 D HA 0.134 4.775 4.640 0.000 0.000 0.255 439 D C 0.773 177.058 176.300 -0.024 0.000 1.226 439 D CA -0.291 53.694 54.000 -0.026 0.000 1.015 439 D CB 0.708 41.480 40.800 -0.047 0.000 1.091 439 D HN 0.431 nan 8.370 nan 0.000 0.527 440 A N -0.527 122.283 122.820 -0.017 0.000 2.121 440 A HA -0.107 4.213 4.320 0.000 0.000 0.218 440 A C 1.711 179.283 177.584 -0.019 0.000 1.154 440 A CA 0.892 52.921 52.037 -0.013 0.000 0.679 440 A CB -0.554 18.442 19.000 -0.008 0.000 0.795 440 A HN 0.533 nan 8.150 nan 0.000 0.458 441 K N -1.514 118.868 120.400 -0.030 0.000 2.404 441 K HA 0.241 4.561 4.320 0.000 0.000 0.194 441 K C 1.040 177.624 176.600 -0.027 0.000 1.023 441 K CA 0.472 56.744 56.287 -0.024 0.000 1.094 441 K CB 0.157 32.643 32.500 -0.024 0.000 0.841 441 K HN 0.586 nan 8.250 nan 0.000 0.523 442 G N 1.128 109.899 108.800 -0.049 0.000 2.176 442 G HA2 -0.228 3.732 3.960 0.000 0.000 0.232 442 G HA3 -0.228 3.732 3.960 0.000 0.000 0.232 442 G C 0.409 175.211 174.900 -0.164 0.000 0.986 442 G CA -0.257 44.817 45.100 -0.043 0.000 0.643 442 G HN 0.454 nan 8.290 nan 0.000 0.522 443 G N 0.013 108.607 108.800 -0.343 0.000 2.380 443 G HA2 0.491 4.451 3.960 0.000 0.000 0.242 443 G HA3 0.491 4.451 3.960 0.000 0.000 0.242 443 G C -0.010 174.567 174.900 -0.539 0.000 1.298 443 G CA 0.016 44.618 45.100 -0.829 0.000 0.878 443 G HN 0.691 nan 8.290 nan 0.000 0.542 444 I N 1.235 121.435 120.570 -0.618 0.000 2.433 444 I HA 0.291 4.462 4.170 0.000 0.000 0.292 444 I C -0.025 176.015 176.117 -0.127 0.000 1.001 444 I CA -0.484 60.736 61.300 -0.134 0.000 1.119 444 I CB 2.441 40.527 38.000 0.143 0.000 1.289 444 I HN 0.289 nan 8.210 nan 0.000 0.438 445 T N 6.881 121.348 114.554 -0.145 0.000 2.792 445 T HA 0.570 4.920 4.350 0.000 0.000 0.280 445 T C -0.523 174.002 174.700 -0.292 0.000 0.990 445 T CA -0.464 61.497 62.100 -0.231 0.000 0.960 445 T CB 1.205 69.870 68.868 -0.340 0.000 0.939 445 T HN 0.096 nan 8.240 nan 0.000 0.439 446 L N 3.077 124.111 121.223 -0.314 0.000 2.296 446 L HA 0.757 5.097 4.340 0.000 0.000 0.286 446 L C 0.085 176.730 176.870 -0.375 0.000 1.023 446 L CA -0.438 54.121 54.840 -0.469 0.000 0.812 446 L CB 1.211 43.011 42.059 -0.432 0.000 1.223 446 L HN 0.800 nan 8.230 nan 0.000 0.421 447 A N 2.344 124.919 122.820 -0.408 0.000 2.335 447 A HA 0.733 5.053 4.320 0.000 0.000 0.304 447 A C -1.100 176.350 177.584 -0.223 0.000 1.118 447 A CA -0.645 51.207 52.037 -0.307 0.000 0.757 447 A CB 0.711 19.500 19.000 -0.352 0.000 1.188 447 A HN 0.554 nan 8.150 nan 0.000 0.460 448 D N 1.297 121.602 120.400 -0.159 0.000 2.181 448 D HA 0.424 5.064 4.640 0.000 0.000 0.248 448 D C -0.357 175.914 176.300 -0.049 0.000 1.020 448 D CA 0.363 54.306 54.000 -0.096 0.000 0.891 448 D CB 1.134 41.888 40.800 -0.076 0.000 1.187 448 D HN 0.575 nan 8.370 nan 0.000 0.443 449 D N 0.696 121.091 120.400 -0.009 0.000 2.800 449 D HA -0.154 4.486 4.640 0.000 0.000 0.232 449 D C -0.326 175.986 176.300 0.020 0.000 1.137 449 D CA 0.533 54.544 54.000 0.018 0.000 0.718 449 D CB -0.500 40.316 40.800 0.026 0.000 1.084 449 D HN 0.241 nan 8.370 nan 0.000 0.432 450 I N 0.855 121.429 120.570 0.006 0.000 2.304 450 I HA 0.068 4.238 4.170 0.000 0.000 0.291 450 I C 1.680 177.766 176.117 -0.052 0.000 1.018 450 I CA 0.006 61.305 61.300 -0.001 0.000 1.260 450 I CB 1.425 39.431 38.000 0.010 0.000 1.390 450 I HN -0.232 nan 8.210 nan 0.000 0.475 451 S N 3.720 119.342 115.700 -0.130 0.000 2.458 451 S HA 0.068 4.538 4.470 0.000 0.000 0.223 451 S C 0.714 175.263 174.600 -0.084 0.000 1.019 451 S CA 0.587 58.699 58.200 -0.147 0.000 0.937 451 S CB 0.327 63.350 63.200 -0.294 0.000 0.788 451 S HN 0.743 nan 8.310 nan 0.000 0.511 452 T N 1.987 116.497 114.554 -0.072 0.000 2.921 452 T HA 0.510 4.861 4.350 0.000 0.000 0.297 452 T C -1.414 173.350 174.700 0.106 0.000 1.013 452 T CA -0.486 61.643 62.100 0.049 0.000 0.990 452 T CB 2.125 71.061 68.868 0.112 0.000 1.023 452 T HN 0.006 nan 8.240 nan 0.000 0.447 453 L N 3.534 124.845 121.223 0.148 0.000 2.272 453 L HA 0.630 4.970 4.340 0.000 0.000 0.289 453 L C 0.046 177.085 176.870 0.283 0.000 1.032 453 L CA -0.462 54.501 54.840 0.204 0.000 0.810 453 L CB 0.764 42.899 42.059 0.126 0.000 1.205 453 L HN 0.570 nan 8.230 nan 0.000 0.422 454 R N 3.338 123.984 120.500 0.243 0.000 2.393 454 R HA 0.743 5.083 4.340 0.000 0.000 0.310 454 R C -0.747 175.669 176.300 0.193 0.000 0.968 454 R CA -0.162 56.062 56.100 0.208 0.000 0.867 454 R CB 1.115 31.493 30.300 0.129 0.000 1.124 454 R HN 0.871 nan 8.270 nan 0.000 0.450 455 S N 2.695 118.523 115.700 0.214 0.000 2.709 455 S HA 0.468 4.938 4.470 0.000 0.000 0.302 455 S C -1.027 173.636 174.600 0.105 0.000 1.127 455 S CA -0.998 57.297 58.200 0.158 0.000 0.905 455 S CB 1.872 65.188 63.200 0.194 0.000 1.151 455 S HN 0.616 nan 8.310 nan 0.000 0.510 456 K N 0.838 121.279 120.400 0.068 0.000 2.450 456 K HA 0.409 4.729 4.320 0.000 0.000 0.257 456 K C -1.010 175.611 176.600 0.035 0.000 0.953 456 K CA -0.360 55.953 56.287 0.043 0.000 0.844 456 K CB 0.820 33.334 32.500 0.023 0.000 1.103 456 K HN 0.672 nan 8.250 nan 0.000 0.429 457 E N 1.885 122.101 120.200 0.027 0.000 2.264 457 E HA 0.396 4.747 4.350 0.000 0.000 0.260 457 E C -0.797 175.798 176.600 -0.008 0.000 0.961 457 E CA -0.868 55.536 56.400 0.006 0.000 0.834 457 E CB 2.079 31.776 29.700 -0.005 0.000 1.230 457 E HN 0.551 nan 8.360 nan 0.000 0.412 458 T N 0.511 115.047 114.554 -0.029 0.000 2.881 458 T HA 0.418 4.769 4.350 0.000 0.000 0.291 458 T C -0.361 174.281 174.700 -0.098 0.000 0.990 458 T CA -0.691 61.396 62.100 -0.022 0.000 0.976 458 T CB 1.189 70.058 68.868 0.002 0.000 0.970 458 T HN 0.207 nan 8.240 nan 0.000 0.438 459 S N 2.128 117.724 115.700 -0.173 0.000 2.608 459 S HA 0.464 4.934 4.470 0.000 0.000 0.291 459 S C -0.135 174.384 174.600 -0.135 0.000 1.146 459 S CA -0.857 57.018 58.200 -0.541 0.000 1.043 459 S CB 0.362 62.709 63.200 -1.422 0.000 1.037 459 S HN 0.859 nan 8.310 nan 0.000 0.520 460 W N 2.407 123.804 121.300 0.161 0.000 6.170 460 W HA -0.254 4.407 4.660 0.000 0.000 0.394 460 W C 0.506 177.189 176.519 0.274 0.000 1.480 460 W CA 0.254 57.730 57.345 0.219 0.000 1.027 460 W CB -2.656 26.929 29.460 0.208 0.000 2.638 460 W HN 0.791 nan 8.180 nan 0.000 1.547 461 L N -2.981 118.387 121.223 0.243 0.000 2.560 461 L HA -0.375 3.965 4.340 0.000 0.000 0.431 461 L C 1.599 178.507 176.870 0.063 0.000 1.606 461 L CA 2.554 57.472 54.840 0.131 0.000 3.191 461 L CB -1.708 40.425 42.059 0.124 0.000 1.253 461 L HN 0.269 nan 8.230 nan 0.000 0.811 462 I N -4.614 115.966 120.570 0.016 0.000 4.338 462 I HA 0.240 4.410 4.170 0.000 0.000 0.329 462 I C 0.224 176.241 176.117 -0.166 0.000 1.378 462 I CA -0.299 60.920 61.300 -0.135 0.000 1.170 462 I CB 0.478 38.327 38.000 -0.252 0.000 1.206 462 I HN -0.018 nan 8.210 nan 0.000 0.432 463 F N 3.920 123.951 119.950 0.135 0.000 2.468 463 F HA 0.328 4.856 4.527 0.000 0.000 0.356 463 F C 0.750 176.596 175.800 0.077 0.000 1.167 463 F CA -0.111 57.985 58.000 0.160 0.000 1.135 463 F CB -0.247 38.973 39.000 0.366 0.000 1.197 463 F HN 0.092 nan 8.300 nan 0.000 0.569 464 N N 3.980 122.780 118.700 0.166 0.000 2.530 464 N HA 0.324 5.064 4.740 0.000 0.000 0.277 464 N C -0.537 175.032 175.510 0.099 0.000 1.168 464 N CA -0.454 52.653 53.050 0.094 0.000 0.979 464 N CB 1.551 40.068 38.487 0.051 0.000 1.141 464 N HN 0.504 nan 8.380 nan 0.000 0.459 465 K N 1.508 121.943 120.400 0.058 0.000 2.550 465 K HA 0.118 4.438 4.320 0.000 0.000 0.252 465 K C -1.370 175.248 176.600 0.031 0.000 0.943 465 K CA -0.630 55.685 56.287 0.046 0.000 0.806 465 K CB 1.370 33.885 32.500 0.026 0.000 1.289 465 K HN 0.385 nan 8.250 nan 0.000 0.435 466 E N 2.242 122.462 120.200 0.032 0.000 2.338 466 E HA 0.220 4.570 4.350 0.000 0.000 0.272 466 E C -0.676 175.926 176.600 0.005 0.000 1.029 466 E CA -0.431 55.987 56.400 0.030 0.000 0.872 466 E CB 1.769 31.492 29.700 0.038 0.000 1.015 466 E HN 0.261 nan 8.360 nan 0.000 0.417 467 V N 3.438 123.349 119.914 -0.004 0.000 2.525 467 V HA 0.159 4.279 4.120 0.000 0.000 0.299 467 V C -0.593 175.391 176.094 -0.184 0.000 1.034 467 V CA -0.960 61.276 62.300 -0.107 0.000 0.863 467 V CB 2.030 33.776 31.823 -0.127 0.000 0.999 467 V HN 0.481 nan 8.190 nan 0.000 0.423 468 D N 3.008 123.283 120.400 -0.208 0.000 2.198 468 D HA 0.436 5.076 4.640 0.000 0.000 0.245 468 D C -0.314 175.806 176.300 -0.300 0.000 1.079 468 D CA -0.092 53.830 54.000 -0.131 0.000 0.854 468 D CB 0.797 41.587 40.800 -0.016 0.000 1.148 468 D HN 0.545 nan 8.370 nan 0.000 0.456 469 H N 1.191 120.282 119.070 0.035 0.000 2.646 469 H HA 0.183 4.739 4.556 0.000 0.000 0.328 469 H C -0.162 175.174 175.328 0.013 0.000 0.998 469 H CA -0.546 55.511 56.048 0.015 0.000 1.225 469 H CB 1.635 31.403 29.762 0.010 0.000 1.457 469 H HN 0.351 nan 8.280 nan 0.000 0.505 470 Q N 2.995 122.849 119.800 0.091 0.000 2.297 470 Q HA 0.150 4.490 4.340 0.000 0.000 0.267 470 Q C -0.684 175.323 176.000 0.012 0.000 1.006 470 Q CA -0.463 55.373 55.803 0.054 0.000 0.896 470 Q CB 0.747 29.509 28.738 0.040 0.000 1.186 470 Q HN 0.407 nan 8.270 nan 0.000 0.392 471 V N 5.517 125.406 119.914 -0.041 0.000 2.372 471 V HA 0.207 4.327 4.120 0.000 0.000 0.261 471 V C 0.471 176.451 176.094 -0.190 0.000 1.055 471 V CA 0.045 62.243 62.300 -0.169 0.000 0.930 471 V CB 0.324 31.964 31.823 -0.305 0.000 1.031 471 V HN 0.936 nan 8.190 nan 0.000 0.479 472 T N 1.984 116.472 114.554 -0.110 0.000 2.916 472 T HA 0.690 5.040 4.350 0.000 0.000 0.292 472 T C 1.119 175.914 174.700 0.158 0.000 1.064 472 T CA -0.040 62.060 62.100 -0.000 0.000 1.011 472 T CB 2.119 70.999 68.868 0.019 0.000 1.152 472 T HN 0.501 nan 8.240 nan 0.000 0.510 473 A N 0.931 123.894 122.820 0.238 0.000 1.940 473 A HA 0.212 4.532 4.320 0.000 0.000 0.219 473 A C 2.446 180.212 177.584 0.302 0.000 1.176 473 A CA 1.957 54.195 52.037 0.334 0.000 0.631 473 A CB -1.422 17.697 19.000 0.198 0.000 0.814 473 A HN 1.378 nan 8.150 nan 0.000 0.446 474 A N -1.912 120.992 122.820 0.141 0.000 2.167 474 A HA 0.474 4.795 4.320 0.000 0.000 0.214 474 A C 1.273 178.784 177.584 -0.122 0.000 1.151 474 A CA 1.474 53.538 52.037 0.044 0.000 0.735 474 A CB -0.624 18.382 19.000 0.010 0.000 0.802 474 A HN 1.928 nan 8.150 nan 0.000 0.467 475 G N -1.916 106.728 108.800 -0.260 0.000 2.357 475 G HA2 0.236 4.196 3.960 0.000 0.000 0.289 475 G HA3 0.236 4.196 3.960 0.000 0.000 0.289 475 G C -1.076 173.540 174.900 -0.474 0.000 1.302 475 G CA -0.834 43.750 45.100 -0.859 0.000 0.936 475 G HN 0.359 nan 8.290 nan 0.000 0.513 476 L N 0.967 121.932 121.223 -0.430 0.000 2.313 476 L HA 0.403 4.743 4.340 0.000 0.000 0.282 476 L C 0.555 177.394 176.870 -0.052 0.000 1.092 476 L CA -0.253 54.508 54.840 -0.133 0.000 0.831 476 L CB 0.927 42.938 42.059 -0.080 0.000 1.159 476 L HN 0.317 nan 8.230 nan 0.000 0.442 477 K N 2.716 123.113 120.400 -0.004 0.000 2.240 477 K HA 0.461 4.781 4.320 0.000 0.000 0.271 477 K C -0.461 176.151 176.600 0.021 0.000 1.018 477 K CA -0.162 56.126 56.287 0.001 0.000 0.874 477 K CB 2.020 34.516 32.500 -0.007 0.000 1.098 477 K HN 0.557 nan 8.250 nan 0.000 0.458 478 S N 1.140 116.844 115.700 0.008 0.000 2.851 478 S HA 0.191 4.662 4.470 0.000 0.000 0.317 478 S C 0.196 174.772 174.600 -0.040 0.000 1.144 478 S CA -0.578 57.597 58.200 -0.042 0.000 0.862 478 S CB 1.025 64.194 63.200 -0.052 0.000 1.259 478 S HN 0.557 nan 8.310 nan 0.000 0.564 479 D N 1.431 121.794 120.400 -0.061 0.000 2.178 479 D HA -0.047 4.593 4.640 0.000 0.000 0.201 479 D C 1.895 178.179 176.300 -0.026 0.000 0.980 479 D CA 1.763 55.739 54.000 -0.040 0.000 0.842 479 D CB -0.350 40.423 40.800 -0.045 0.000 0.948 479 D HN 0.486 nan 8.370 nan 0.000 0.472 480 S N -0.947 114.739 115.700 -0.024 0.000 2.562 480 S HA 0.355 4.825 4.470 0.000 0.000 0.221 480 S C 1.157 175.752 174.600 -0.010 0.000 0.975 480 S CA 0.501 58.693 58.200 -0.013 0.000 0.918 480 S CB 0.542 63.738 63.200 -0.008 0.000 0.772 480 S HN 0.380 nan 8.310 nan 0.000 0.531 481 G N 0.489 109.283 108.800 -0.010 0.000 2.265 481 G HA2 0.177 4.138 3.960 0.000 0.000 0.246 481 G HA3 0.177 4.138 3.960 0.000 0.000 0.246 481 G C -1.676 173.214 174.900 -0.016 0.000 1.299 481 G CA -0.477 44.615 45.100 -0.013 0.000 1.117 481 G HN 0.676 nan 8.290 nan 0.000 0.485 482 L N 0.717 121.922 121.223 -0.031 0.000 2.322 482 L HA 0.836 5.176 4.340 0.000 0.000 0.281 482 L C 0.072 176.897 176.870 -0.076 0.000 1.014 482 L CA -0.654 54.153 54.840 -0.056 0.000 0.815 482 L CB 1.575 43.598 42.059 -0.060 0.000 1.247 482 L HN 0.699 nan 8.230 nan 0.000 0.421 483 K N 4.815 125.145 120.400 -0.116 0.000 2.425 483 K HA 0.724 5.044 4.320 0.000 0.000 0.259 483 K C -0.751 175.693 176.600 -0.260 0.000 0.978 483 K CA -0.562 55.643 56.287 -0.136 0.000 0.883 483 K CB 1.279 33.720 32.500 -0.099 0.000 1.110 483 K HN 0.824 nan 8.250 nan 0.000 0.436 484 A N 3.510 126.206 122.820 -0.207 0.000 2.366 484 A HA 0.247 4.567 4.320 0.000 0.000 0.249 484 A C -0.868 176.576 177.584 -0.233 0.000 1.084 484 A CA -0.101 51.782 52.037 -0.256 0.000 0.794 484 A CB -0.002 18.939 19.000 -0.098 0.000 1.034 484 A HN 0.658 nan 8.150 nan 0.000 0.491 485 Y N -0.118 120.202 120.300 0.034 0.000 2.309 485 Y HA 0.407 4.957 4.550 0.000 0.000 0.327 485 Y C 1.001 176.948 175.900 0.079 0.000 1.172 485 Y CA -0.036 58.092 58.100 0.046 0.000 1.280 485 Y CB 0.889 39.376 38.460 0.046 0.000 1.234 485 Y HN 0.660 nan 8.280 nan 0.000 0.512 486 A N 2.567 125.549 122.820 0.270 0.000 3.056 486 A HA 0.681 5.002 4.320 0.000 0.000 0.274 486 A C -0.003 177.735 177.584 0.258 0.000 1.661 486 A CA 0.240 52.415 52.037 0.230 0.000 1.363 486 A CB -1.268 17.867 19.000 0.225 0.000 1.139 486 A HN 0.766 nan 8.150 nan 0.000 0.598 487 A N 0.381 123.325 122.820 0.206 0.000 2.594 487 A HA 0.817 5.137 4.320 0.000 0.000 0.295 487 A C -0.388 177.255 177.584 0.098 0.000 1.071 487 A CA 0.025 52.152 52.037 0.150 0.000 0.685 487 A CB 0.889 20.039 19.000 0.251 0.000 1.285 487 A HN 1.779 nan 8.150 nan 0.000 0.405 488 A N 0.840 123.666 122.820 0.010 0.000 2.288 488 A HA 0.756 5.076 4.320 0.000 0.000 0.320 488 A C -0.170 177.448 177.584 0.058 0.000 1.217 488 A CA -0.296 51.749 52.037 0.014 0.000 0.840 488 A CB 0.379 19.349 19.000 -0.050 0.000 1.179 488 A HN 0.890 nan 8.150 nan 0.000 0.504 489 T N 2.201 116.810 114.554 0.091 0.000 2.809 489 T HA 0.610 4.960 4.350 0.000 0.000 0.284 489 T C 0.676 175.410 174.700 0.058 0.000 0.992 489 T CA 0.081 62.250 62.100 0.115 0.000 0.957 489 T CB 1.597 70.522 68.868 0.094 0.000 0.942 489 T HN 0.954 nan 8.240 nan 0.000 0.439 490 G N 1.482 110.315 108.800 0.055 0.000 2.531 490 G HA2 0.759 4.720 3.960 0.000 0.000 0.281 490 G HA3 0.759 4.720 3.960 0.000 0.000 0.281 490 G C 0.150 175.062 174.900 0.020 0.000 1.382 490 G CA -0.320 44.800 45.100 0.034 0.000 1.045 490 G HN 0.906 nan 8.290 nan 0.000 0.533 491 G N -2.008 106.803 108.800 0.018 0.000 3.243 491 G HA2 0.417 4.377 3.960 0.000 0.000 0.248 491 G HA3 0.417 4.377 3.960 0.000 0.000 0.248 491 G C -0.040 174.869 174.900 0.015 0.000 1.267 491 G CA -0.091 45.014 45.100 0.008 0.000 0.906 491 G HN 0.306 nan 8.290 nan 0.000 0.592 492 D N -0.021 120.386 120.400 0.012 0.000 2.384 492 D HA 0.078 4.718 4.640 0.000 0.000 0.222 492 D C 1.418 177.733 176.300 0.024 0.000 0.976 492 D CA 0.903 54.913 54.000 0.017 0.000 0.915 492 D CB -0.059 40.749 40.800 0.013 0.000 0.896 492 D HN 0.370 nan 8.370 nan 0.000 0.523 493 G N -0.380 108.434 108.800 0.024 0.000 2.531 493 G HA2 0.212 4.172 3.960 0.000 0.000 0.313 493 G HA3 0.212 4.172 3.960 0.000 0.000 0.313 493 G C -0.556 174.363 174.900 0.033 0.000 1.238 493 G CA -0.570 44.547 45.100 0.027 0.000 0.994 493 G HN -0.171 nan 8.290 nan 0.000 0.493 494 D N 1.370 121.789 120.400 0.033 0.000 2.416 494 D HA 0.200 4.841 4.640 0.000 0.000 0.240 494 D C -0.139 176.181 176.300 0.034 0.000 1.250 494 D CA 0.310 54.332 54.000 0.037 0.000 0.967 494 D CB 0.506 41.327 40.800 0.036 0.000 1.059 494 D HN 0.148 nan 8.370 nan 0.000 0.512 495 D N 0.482 120.903 120.400 0.036 0.000 2.253 495 D HA 0.257 4.898 4.640 0.000 0.000 0.249 495 D C 0.080 176.398 176.300 0.030 0.000 1.049 495 D CA -0.545 53.473 54.000 0.030 0.000 0.929 495 D CB 2.351 43.168 40.800 0.029 0.000 1.176 495 D HN -0.033 nan 8.370 nan 0.000 0.437 496 V N 2.424 122.351 119.914 0.022 0.000 2.334 496 V HA 0.275 4.395 4.120 0.000 0.000 0.281 496 V C -0.030 176.068 176.094 0.007 0.000 1.016 496 V CA -0.604 61.707 62.300 0.018 0.000 0.832 496 V CB 1.009 32.840 31.823 0.014 0.000 0.999 496 V HN 0.270 nan 8.190 nan 0.000 0.439 497 L N 5.503 126.726 121.223 -0.001 0.000 2.298 497 L HA 0.573 4.913 4.340 0.000 0.000 0.284 497 L C -0.194 176.644 176.870 -0.052 0.000 1.013 497 L CA -0.362 54.461 54.840 -0.029 0.000 0.824 497 L CB 1.624 43.655 42.059 -0.047 0.000 1.221 497 L HN 0.573 nan 8.230 nan 0.000 0.418 498 Q N 2.271 122.040 119.800 -0.053 0.000 2.307 498 Q HA 0.601 4.941 4.340 0.000 0.000 0.262 498 Q C -0.215 175.720 176.000 -0.109 0.000 0.961 498 Q CA -0.606 55.157 55.803 -0.067 0.000 0.882 498 Q CB 2.470 31.191 28.738 -0.029 0.000 1.264 498 Q HN 0.752 nan 8.270 nan 0.000 0.446 499 A N 3.553 126.254 122.820 -0.199 0.000 2.450 499 A HA 0.257 4.577 4.320 0.000 0.000 0.255 499 A C -0.119 177.411 177.584 -0.091 0.000 1.096 499 A CA -0.107 51.761 52.037 -0.282 0.000 0.778 499 A CB 0.317 18.892 19.000 -0.707 0.000 1.031 499 A HN 0.749 nan 8.150 nan 0.000 0.494 500 R N 1.460 121.951 120.500 -0.016 0.000 2.580 500 R HA 0.259 4.600 4.340 0.000 0.000 0.267 500 R C 1.636 178.048 176.300 0.187 0.000 1.125 500 R CA 0.123 56.271 56.100 0.079 0.000 1.188 500 R CB 0.389 30.726 30.300 0.062 0.000 1.155 500 R HN 0.830 nan 8.270 nan 0.000 0.586 501 S N 0.069 115.860 115.700 0.153 0.000 2.368 501 S HA -0.209 4.262 4.470 0.000 0.000 0.226 501 S C 1.095 175.710 174.600 0.026 0.000 1.044 501 S CA 1.657 59.910 58.200 0.088 0.000 1.062 501 S CB -0.187 63.087 63.200 0.123 0.000 0.931 501 S HN 0.526 nan 8.310 nan 0.000 0.440 502 H N 0.414 119.512 119.070 0.045 0.000 2.505 502 H HA 0.377 4.933 4.556 0.000 0.000 0.289 502 H C -0.695 174.665 175.328 0.053 0.000 1.052 502 H CA -0.367 55.702 56.048 0.035 0.000 1.156 502 H CB 0.012 29.784 29.762 0.018 0.000 1.507 502 H HN 0.241 nan 8.280 nan 0.000 0.548 503 D N 0.146 120.625 120.400 0.133 0.000 2.390 503 D HA 0.148 4.788 4.640 0.000 0.000 0.249 503 D C 0.860 177.141 176.300 -0.032 0.000 1.144 503 D CA 0.165 54.191 54.000 0.043 0.000 0.880 503 D CB 1.514 42.279 40.800 -0.059 0.000 1.182 503 D HN 0.383 nan 8.370 nan 0.000 0.451 504 A N 2.932 125.729 122.820 -0.039 0.000 2.288 504 A HA 0.179 4.499 4.320 0.000 0.000 0.216 504 A C -0.376 176.840 177.584 -0.613 0.000 1.199 504 A CA -0.046 51.824 52.037 -0.278 0.000 0.891 504 A CB 0.235 19.101 19.000 -0.224 0.000 0.923 504 A HN 0.525 nan 8.150 nan 0.000 0.500 505 W N -0.994 120.067 121.300 -0.399 0.000 3.022 505 W HA 0.675 5.335 4.660 0.000 0.000 0.335 505 W C -0.964 175.075 176.519 -0.799 0.000 1.133 505 W CA -0.549 56.379 57.345 -0.695 0.000 1.219 505 W CB 1.082 30.036 29.460 -0.844 0.000 1.409 505 W HN -0.155 nan 8.180 nan 0.000 0.507 506 L N 3.003 123.787 121.223 -0.731 0.000 2.356 506 L HA 0.570 4.910 4.340 0.000 0.000 0.277 506 L C -1.264 175.205 176.870 -0.668 0.000 0.996 506 L CA -0.848 53.631 54.840 -0.601 0.000 0.822 506 L CB 1.067 42.806 42.059 -0.534 0.000 1.256 506 L HN 0.255 nan 8.230 nan 0.000 0.413 507 F N 1.089 120.954 119.950 -0.143 0.000 2.366 507 F HA 0.365 4.893 4.527 0.000 0.000 0.366 507 F C 1.189 176.940 175.800 -0.082 0.000 1.096 507 F CA -0.695 57.219 58.000 -0.144 0.000 1.060 507 F CB 1.638 40.513 39.000 -0.209 0.000 1.282 507 F HN 0.539 nan 8.300 nan 0.000 0.450 508 G N 1.688 110.552 108.800 0.106 0.000 2.448 508 G HA2 -0.107 3.853 3.960 0.000 0.000 0.218 508 G HA3 -0.107 3.853 3.960 0.000 0.000 0.218 508 G C 0.755 175.706 174.900 0.084 0.000 1.135 508 G CA 0.347 45.498 45.100 0.083 0.000 0.784 508 G HN 0.624 nan 8.290 nan 0.000 0.543 509 N N -0.375 118.385 118.700 0.100 0.000 1.673 509 N HA -0.188 4.553 4.740 0.000 0.000 0.120 509 N C 0.632 176.183 175.510 0.069 0.000 0.843 509 N CA 0.953 54.041 53.050 0.063 0.000 0.859 509 N CB -1.307 37.189 38.487 0.016 0.000 0.883 509 N HN 0.701 nan 8.380 nan 0.000 0.676 510 A N 0.022 122.871 122.820 0.048 0.000 2.466 510 A HA 0.526 4.846 4.320 0.000 0.000 0.238 510 A C 1.183 178.801 177.584 0.056 0.000 1.074 510 A CA 1.368 53.437 52.037 0.054 0.000 0.774 510 A CB -0.512 18.511 19.000 0.037 0.000 1.015 510 A HN 1.863 nan 8.150 nan 0.000 0.498 511 G N 0.882 109.720 108.800 0.062 0.000 2.603 511 G HA2 -0.050 3.910 3.960 0.000 0.000 0.686 511 G HA3 -0.050 3.910 3.960 0.000 0.000 0.686 511 G C -0.826 174.118 174.900 0.074 0.000 1.286 511 G CA -0.481 44.654 45.100 0.060 0.000 0.871 511 G HN 1.002 nan 8.290 nan 0.000 0.568 512 N N 2.076 120.817 118.700 0.069 0.000 2.469 512 N HA 0.398 5.138 4.740 0.000 0.000 0.239 512 N C -0.546 175.010 175.510 0.075 0.000 1.053 512 N CA -0.165 52.932 53.050 0.079 0.000 0.937 512 N CB 0.853 39.382 38.487 0.070 0.000 1.163 512 N HN 0.515 nan 8.380 nan 0.000 0.509 513 D N 0.386 120.839 120.400 0.089 0.000 2.326 513 D HA 0.379 5.019 4.640 0.000 0.000 0.248 513 D C -0.151 176.203 176.300 0.090 0.000 1.001 513 D CA -0.140 53.907 54.000 0.080 0.000 0.961 513 D CB 1.592 42.439 40.800 0.079 0.000 1.183 513 D HN 0.158 nan 8.370 nan 0.000 0.502 514 T N 1.309 115.908 114.554 0.074 0.000 2.791 514 T HA 0.362 4.713 4.350 0.000 0.000 0.288 514 T C -0.320 174.430 174.700 0.083 0.000 0.999 514 T CA -0.554 61.595 62.100 0.082 0.000 0.952 514 T CB 0.540 69.440 68.868 0.053 0.000 0.938 514 T HN 0.009 nan 8.240 nan 0.000 0.444 515 L N 4.662 125.969 121.223 0.139 0.000 2.262 515 L HA 0.527 4.867 4.340 0.000 0.000 0.288 515 L C -0.201 176.804 176.870 0.226 0.000 1.035 515 L CA -0.232 54.696 54.840 0.147 0.000 0.820 515 L CB 0.675 42.872 42.059 0.230 0.000 1.204 515 L HN 0.619 nan 8.230 nan 0.000 0.424 516 I N 2.731 123.357 120.570 0.094 0.000 2.321 516 I HA 0.471 4.641 4.170 0.000 0.000 0.291 516 I C 1.062 177.201 176.117 0.036 0.000 0.998 516 I CA -0.425 60.937 61.300 0.104 0.000 1.227 516 I CB 1.405 39.426 38.000 0.036 0.000 1.368 516 I HN 0.645 nan 8.210 nan 0.000 0.466 517 G N 4.933 113.840 108.800 0.178 0.000 2.588 517 G HA2 0.373 4.333 3.960 0.000 0.000 0.278 517 G HA3 0.373 4.333 3.960 0.000 0.000 0.278 517 G C -0.542 174.379 174.900 0.036 0.000 1.307 517 G CA -0.329 44.810 45.100 0.065 0.000 1.016 517 G HN 0.847 nan 8.290 nan 0.000 0.503 518 H N -3.455 115.619 119.070 0.007 0.000 2.894 518 H HA 0.630 5.187 4.556 0.000 0.000 0.368 518 H C 1.107 176.428 175.328 -0.012 0.000 1.181 518 H CA -0.590 55.448 56.048 -0.016 0.000 1.146 518 H CB 1.685 31.415 29.762 -0.053 0.000 1.839 518 H HN 0.518 nan 8.280 nan 0.000 0.557 519 A N 1.241 124.115 122.820 0.090 0.000 1.927 519 A HA -0.179 4.142 4.320 0.000 0.000 0.220 519 A C 2.265 179.811 177.584 -0.062 0.000 1.185 519 A CA 2.057 54.094 52.037 0.001 0.000 0.639 519 A CB -1.502 17.482 19.000 -0.027 0.000 0.820 519 A HN 0.909 nan 8.150 nan 0.000 0.451 520 G N -1.737 106.936 108.800 -0.212 0.000 2.776 520 G HA2 0.378 4.339 3.960 0.000 0.000 0.209 520 G HA3 0.378 4.339 3.960 0.000 0.000 0.209 520 G C 1.209 176.017 174.900 -0.155 0.000 1.145 520 G CA 0.764 45.722 45.100 -0.237 0.000 0.791 520 G HN 1.572 nan 8.290 nan 0.000 0.530 521 G N 0.883 109.671 108.800 -0.019 0.000 2.582 521 G HA2 -0.354 3.606 3.960 0.000 0.000 0.288 521 G HA3 -0.354 3.606 3.960 0.000 0.000 0.288 521 G C 0.451 175.361 174.900 0.017 0.000 1.247 521 G CA 0.266 45.397 45.100 0.052 0.000 0.972 521 G HN 1.131 nan 8.290 nan 0.000 0.557 522 N N -2.140 116.527 118.700 -0.054 0.000 2.721 522 N HA -0.156 4.585 4.740 0.000 0.000 0.249 522 N C -0.222 175.179 175.510 -0.181 0.000 1.072 522 N CA 0.691 53.668 53.050 -0.121 0.000 0.710 522 N CB -0.649 37.762 38.487 -0.127 0.000 0.993 522 N HN 0.887 nan 8.380 nan 0.000 0.547 523 L N 0.392 121.493 121.223 -0.203 0.000 2.329 523 L HA 0.500 4.840 4.340 0.000 0.000 0.279 523 L C -0.179 176.372 176.870 -0.531 0.000 1.014 523 L CA -0.147 54.444 54.840 -0.414 0.000 0.814 523 L CB 1.954 43.700 42.059 -0.521 0.000 1.257 523 L HN -0.035 nan 8.230 nan 0.000 0.424 524 T N 5.346 119.458 114.554 -0.737 0.000 2.749 524 T HA 0.472 4.822 4.350 0.000 0.000 0.287 524 T C -0.522 173.792 174.700 -0.644 0.000 0.970 524 T CA 0.155 61.843 62.100 -0.688 0.000 0.980 524 T CB -0.064 68.207 68.868 -0.996 0.000 0.924 524 T HN 0.249 nan 8.240 nan 0.000 0.456 525 F N 2.331 121.928 119.950 -0.588 0.000 2.405 525 F HA 0.487 5.014 4.527 0.000 0.000 0.355 525 F C 0.234 175.809 175.800 -0.374 0.000 1.121 525 F CA -0.896 56.843 58.000 -0.434 0.000 1.112 525 F CB 1.197 39.992 39.000 -0.340 0.000 1.126 525 F HN 0.187 nan 8.300 nan 0.000 0.481 526 V N 3.685 123.494 119.914 -0.175 0.000 2.320 526 V HA 0.225 4.345 4.120 0.000 0.000 0.268 526 V C 0.860 176.958 176.094 0.007 0.000 1.021 526 V CA -0.499 61.737 62.300 -0.107 0.000 0.813 526 V CB 0.786 32.593 31.823 -0.028 0.000 1.054 526 V HN 1.039 nan 8.190 nan 0.000 0.444 527 G N 2.211 111.030 108.800 0.032 0.000 2.432 527 G HA2 0.296 4.256 3.960 0.000 0.000 0.219 527 G HA3 0.296 4.256 3.960 0.000 0.000 0.219 527 G C 0.979 175.969 174.900 0.149 0.000 1.135 527 G CA 1.046 46.220 45.100 0.124 0.000 0.767 527 G HN 1.418 nan 8.290 nan 0.000 0.550 528 G N -0.692 108.207 108.800 0.165 0.000 2.642 528 G HA2 0.016 3.977 3.960 0.000 0.000 0.231 528 G HA3 0.016 3.977 3.960 0.000 0.000 0.231 528 G C 0.449 175.481 174.900 0.220 0.000 1.338 528 G CA 0.591 45.804 45.100 0.188 0.000 0.883 528 G HN 1.594 nan 8.290 nan 0.000 0.570 529 S N 0.072 115.878 115.700 0.176 0.000 2.589 529 S HA 0.639 5.109 4.470 0.000 0.000 0.265 529 S C 1.235 175.923 174.600 0.146 0.000 1.342 529 S CA 1.088 59.385 58.200 0.163 0.000 1.005 529 S CB 1.045 64.314 63.200 0.115 0.000 0.909 529 S HN 2.917 nan 8.310 nan 0.000 0.555 530 G N 0.835 109.713 108.800 0.129 0.000 2.795 530 G HA2 -0.047 3.913 3.960 0.000 0.000 0.664 530 G HA3 -0.047 3.913 3.960 0.000 0.000 0.664 530 G C -1.533 173.454 174.900 0.144 0.000 1.381 530 G CA -0.358 44.810 45.100 0.114 0.000 0.853 530 G HN 0.891 nan 8.290 nan 0.000 0.545 531 D N 1.607 122.080 120.400 0.122 0.000 2.317 531 D HA 0.505 5.145 4.640 0.000 0.000 0.234 531 D C -0.156 176.231 176.300 0.146 0.000 1.112 531 D CA 0.062 54.144 54.000 0.137 0.000 0.840 531 D CB 1.141 42.001 40.800 0.099 0.000 1.078 531 D HN 0.392 nan 8.370 nan 0.000 0.486 532 D N 1.503 122.015 120.400 0.186 0.000 2.433 532 D HA 0.386 5.026 4.640 0.000 0.000 0.236 532 D C -0.003 176.414 176.300 0.194 0.000 1.026 532 D CA -0.588 53.520 54.000 0.181 0.000 0.884 532 D CB 2.314 43.234 40.800 0.200 0.000 1.384 532 D HN 0.108 nan 8.370 nan 0.000 0.477 533 I N 1.202 121.879 120.570 0.178 0.000 2.331 533 I HA 0.211 4.381 4.170 0.000 0.000 0.292 533 I C -0.222 176.028 176.117 0.222 0.000 0.998 533 I CA -0.292 61.130 61.300 0.204 0.000 1.267 533 I CB 0.941 39.035 38.000 0.157 0.000 1.386 533 I HN 0.077 nan 8.210 nan 0.000 0.476 534 L N 6.980 128.352 121.223 0.248 0.000 2.316 534 L HA 0.496 4.837 4.340 0.000 0.000 0.280 534 L C -0.147 176.827 176.870 0.173 0.000 1.006 534 L CA -0.698 54.276 54.840 0.224 0.000 0.836 534 L CB 0.660 42.828 42.059 0.182 0.000 1.221 534 L HN 0.464 nan 8.230 nan 0.000 0.418 535 K N 2.894 123.413 120.400 0.198 0.000 2.296 535 K HA 0.340 4.660 4.320 0.000 0.000 0.257 535 K C 0.466 177.162 176.600 0.160 0.000 1.088 535 K CA -0.377 56.007 56.287 0.161 0.000 0.980 535 K CB 1.359 33.919 32.500 0.099 0.000 1.430 535 K HN 0.728 nan 8.250 nan 0.000 0.441 536 G N 1.554 110.404 108.800 0.083 0.000 2.365 536 G HA2 0.293 4.253 3.960 0.000 0.000 0.249 536 G HA3 0.293 4.253 3.960 0.000 0.000 0.249 536 G C -0.376 174.633 174.900 0.181 0.000 1.288 536 G CA -0.225 44.963 45.100 0.147 0.000 0.887 536 G HN 0.311 nan 8.290 nan 0.000 0.524 537 V N 2.561 122.602 119.914 0.211 0.000 2.638 537 V HA 0.852 4.972 4.120 0.000 0.000 0.306 537 V C 0.837 177.004 176.094 0.123 0.000 1.052 537 V CA 0.496 62.887 62.300 0.150 0.000 0.885 537 V CB 0.762 32.676 31.823 0.151 0.000 0.999 537 V HN 1.795 nan 8.190 nan 0.000 0.424 538 G N 5.039 113.881 108.800 0.071 0.000 2.642 538 G HA2 -0.177 3.783 3.960 0.000 0.000 0.231 538 G HA3 -0.177 3.783 3.960 0.000 0.000 0.231 538 G C -0.629 174.281 174.900 0.016 0.000 1.338 538 G CA -0.214 44.906 45.100 0.034 0.000 0.883 538 G HN 0.736 nan 8.290 nan 0.000 0.570 539 N N 0.687 119.380 118.700 -0.012 0.000 2.459 539 N HA 0.616 5.356 4.740 0.000 0.000 0.288 539 N C 0.999 176.482 175.510 -0.045 0.000 1.186 539 N CA 0.973 54.002 53.050 -0.036 0.000 0.917 539 N CB 1.202 39.663 38.487 -0.045 0.000 1.219 539 N HN 2.215 nan 8.380 nan 0.000 0.525 540 G N 0.081 108.843 108.800 -0.063 0.000 2.147 540 G HA2 -0.257 3.703 3.960 0.000 0.000 0.244 540 G HA3 -0.257 3.703 3.960 0.000 0.000 0.244 540 G C -0.345 174.498 174.900 -0.094 0.000 1.005 540 G CA -0.313 44.742 45.100 -0.075 0.000 0.713 540 G HN 0.561 nan 8.290 nan 0.000 0.515 541 N N 0.419 119.069 118.700 -0.082 0.000 2.513 541 N HA 0.500 5.240 4.740 0.000 0.000 0.274 541 N C -0.078 175.299 175.510 -0.222 0.000 1.189 541 N CA 0.462 53.414 53.050 -0.162 0.000 0.975 541 N CB 1.082 39.477 38.487 -0.154 0.000 1.157 541 N HN 0.159 nan 8.380 nan 0.000 0.465 542 T N 1.554 115.887 114.554 -0.367 0.000 2.829 542 T HA 0.505 4.855 4.350 0.000 0.000 0.280 542 T C -0.587 173.819 174.700 -0.491 0.000 0.999 542 T CA -0.395 61.535 62.100 -0.283 0.000 0.983 542 T CB 0.366 69.092 68.868 -0.238 0.000 0.968 542 T HN 0.181 nan 8.240 nan 0.000 0.446 543 F N 2.950 122.847 119.950 -0.089 0.000 2.403 543 F HA 0.583 5.110 4.527 0.000 0.000 0.355 543 F C -0.268 175.209 175.800 -0.538 0.000 1.119 543 F CA -1.071 56.780 58.000 -0.248 0.000 1.007 543 F CB 1.187 40.120 39.000 -0.111 0.000 1.194 543 F HN 0.252 nan 8.300 nan 0.000 0.443 544 L N 5.025 125.882 121.223 -0.610 0.000 2.322 544 L HA 0.738 5.079 4.340 0.000 0.000 0.281 544 L C -1.638 174.688 176.870 -0.906 0.000 1.014 544 L CA -0.650 53.861 54.840 -0.549 0.000 0.815 544 L CB 0.762 42.726 42.059 -0.159 0.000 1.247 544 L HN 0.384 nan 8.230 nan 0.000 0.421 545 F N 2.995 122.722 119.950 -0.371 0.000 2.561 545 F HA 0.694 5.222 4.527 0.000 0.000 0.313 545 F C 0.031 175.696 175.800 -0.226 0.000 1.126 545 F CA -0.532 57.169 58.000 -0.499 0.000 0.918 545 F CB 2.330 40.562 39.000 -1.280 0.000 1.199 545 F HN 0.447 nan 8.300 nan 0.000 0.444 546 S N 1.295 117.110 115.700 0.190 0.000 2.541 546 S HA 0.734 5.204 4.470 0.000 0.000 0.271 546 S C 0.093 174.909 174.600 0.360 0.000 1.133 546 S CA 0.167 58.519 58.200 0.254 0.000 0.876 546 S CB 1.348 64.656 63.200 0.180 0.000 1.105 546 S HN 1.534 nan 8.310 nan 0.000 0.470 547 G N 3.555 112.552 108.800 0.329 0.000 2.596 547 G HA2 -0.217 3.743 3.960 0.000 0.000 0.295 547 G HA3 -0.217 3.743 3.960 0.000 0.000 0.295 547 G C -0.823 174.254 174.900 0.294 0.000 1.240 547 G CA 0.483 45.752 45.100 0.281 0.000 0.985 547 G HN 0.767 nan 8.290 nan 0.000 0.555 548 D N 1.835 122.346 120.400 0.186 0.000 2.483 548 D HA 0.388 5.029 4.640 0.000 0.000 0.220 548 D C 1.153 177.527 176.300 0.124 0.000 1.173 548 D CA 0.195 54.244 54.000 0.082 0.000 0.964 548 D CB -0.370 40.463 40.800 0.055 0.000 1.046 548 D HN 0.431 nan 8.370 nan 0.000 0.517 549 F N -0.034 120.007 119.950 0.152 0.000 2.765 549 F HA 0.373 4.900 4.527 0.000 0.000 0.302 549 F C 1.198 177.106 175.800 0.181 0.000 1.111 549 F CA -0.229 57.885 58.000 0.191 0.000 1.359 549 F CB -0.068 39.108 39.000 0.293 0.000 1.097 549 F HN 0.315 nan 8.300 nan 0.000 0.577 550 G N 1.744 110.463 108.800 -0.135 0.000 2.598 550 G HA2 -0.253 3.707 3.960 0.000 0.000 0.244 550 G HA3 -0.253 3.707 3.960 0.000 0.000 0.244 550 G C -0.567 174.308 174.900 -0.042 0.000 1.302 550 G CA -0.461 44.615 45.100 -0.040 0.000 0.903 550 G HN 0.558 nan 8.290 nan 0.000 0.575 551 R N 0.836 121.375 120.500 0.064 0.000 2.288 551 R HA 0.523 4.863 4.340 0.000 0.000 0.326 551 R C -1.355 175.043 176.300 0.164 0.000 0.959 551 R CA -0.750 55.405 56.100 0.092 0.000 0.834 551 R CB 1.238 31.564 30.300 0.044 0.000 1.157 551 R HN 0.470 nan 8.270 nan 0.000 0.470 552 D N 1.746 122.281 120.400 0.226 0.000 2.269 552 D HA 0.237 4.878 4.640 0.000 0.000 0.244 552 D C -0.404 175.983 176.300 0.144 0.000 0.992 552 D CA -0.468 53.678 54.000 0.244 0.000 0.894 552 D CB 1.617 42.669 40.800 0.420 0.000 1.248 552 D HN 0.222 nan 8.370 nan 0.000 0.468 553 Q N 0.672 120.553 119.800 0.135 0.000 2.316 553 Q HA 0.547 4.887 4.340 0.000 0.000 0.264 553 Q C -0.879 175.137 176.000 0.027 0.000 0.987 553 Q CA -0.701 55.126 55.803 0.041 0.000 0.852 553 Q CB 2.740 31.529 28.738 0.085 0.000 1.287 553 Q HN 0.304 nan 8.270 nan 0.000 0.448 554 L N 3.580 124.703 121.223 -0.168 0.000 2.342 554 L HA 0.469 4.809 4.340 0.000 0.000 0.276 554 L C -1.630 175.054 176.870 -0.310 0.000 0.997 554 L CA -0.646 54.059 54.840 -0.224 0.000 0.838 554 L CB 0.706 42.537 42.059 -0.380 0.000 1.224 554 L HN 0.645 nan 8.230 nan 0.000 0.416 555 Y N 2.647 122.875 120.300 -0.120 0.000 2.387 555 Y HA 0.523 5.073 4.550 0.000 0.000 0.330 555 Y C 1.256 177.132 175.900 -0.041 0.000 1.133 555 Y CA 0.300 58.365 58.100 -0.057 0.000 1.152 555 Y CB 2.048 40.500 38.460 -0.014 0.000 1.215 555 Y HN 0.736 nan 8.280 nan 0.000 0.466 556 G N 1.930 110.818 108.800 0.146 0.000 2.136 556 G HA2 -0.329 3.631 3.960 0.000 0.000 0.242 556 G HA3 -0.329 3.631 3.960 0.000 0.000 0.242 556 G C -0.153 174.804 174.900 0.097 0.000 0.989 556 G CA -0.437 44.734 45.100 0.118 0.000 0.682 556 G HN 0.531 nan 8.290 nan 0.000 0.522 557 F N 2.267 122.161 119.950 -0.093 0.000 2.572 557 F HA 0.454 4.981 4.527 0.000 0.000 0.370 557 F C 0.644 176.435 175.800 -0.014 0.000 1.103 557 F CA 0.477 58.416 58.000 -0.102 0.000 1.286 557 F CB 0.511 39.389 39.000 -0.202 0.000 1.105 557 F HN 0.578 nan 8.300 nan 0.000 0.583 558 N N 3.300 121.662 118.700 -0.562 0.000 2.972 558 N HA 0.480 5.221 4.740 0.000 0.000 0.262 558 N C -0.121 175.132 175.510 -0.429 0.000 1.478 558 N CA -0.340 52.523 53.050 -0.312 0.000 0.841 558 N CB 0.752 39.160 38.487 -0.132 0.000 1.512 558 N HN 0.466 nan 8.380 nan 0.000 0.548 559 A N -0.262 122.454 122.820 -0.173 0.000 2.084 559 A HA -0.142 4.178 4.320 0.000 0.000 0.221 559 A C 1.751 179.251 177.584 -0.141 0.000 1.161 559 A CA 2.315 54.282 52.037 -0.118 0.000 0.653 559 A CB -1.264 17.707 19.000 -0.049 0.000 0.802 559 A HN 0.887 nan 8.150 nan 0.000 0.457 560 S N -0.896 114.705 115.700 -0.165 0.000 2.524 560 S HA 0.069 4.539 4.470 0.000 0.000 0.216 560 S C 0.193 174.706 174.600 -0.144 0.000 0.987 560 S CA -0.082 58.045 58.200 -0.122 0.000 0.909 560 S CB -0.132 63.014 63.200 -0.089 0.000 0.781 560 S HN 0.406 nan 8.310 nan 0.000 0.521 561 D N 1.861 122.095 120.400 -0.276 0.000 2.383 561 D HA 0.450 5.091 4.640 0.000 0.000 0.248 561 D C -0.284 175.977 176.300 -0.064 0.000 1.170 561 D CA -0.007 53.861 54.000 -0.220 0.000 0.977 561 D CB 0.804 41.356 40.800 -0.413 0.000 1.120 561 D HN 0.273 nan 8.370 nan 0.000 0.481 562 K N 0.294 120.784 120.400 0.150 0.000 2.469 562 K HA 0.539 4.859 4.320 0.000 0.000 0.254 562 K C -1.511 175.289 176.600 0.334 0.000 0.939 562 K CA -0.635 55.779 56.287 0.212 0.000 0.812 562 K CB 1.278 33.831 32.500 0.088 0.000 1.301 562 K HN 0.281 nan 8.250 nan 0.000 0.433 563 L N 3.218 124.589 121.223 0.246 0.000 2.346 563 L HA 0.589 4.929 4.340 0.000 0.000 0.276 563 L C -1.001 175.806 176.870 -0.106 0.000 1.006 563 L CA -1.237 53.660 54.840 0.095 0.000 0.817 563 L CB 2.056 44.161 42.059 0.077 0.000 1.272 563 L HN 0.290 nan 8.230 nan 0.000 0.421 564 V N 2.919 122.656 119.914 -0.294 0.000 2.483 564 V HA 0.464 4.584 4.120 0.000 0.000 0.297 564 V C -0.938 174.872 176.094 -0.475 0.000 1.027 564 V CA -0.437 61.690 62.300 -0.288 0.000 0.855 564 V CB 1.690 33.449 31.823 -0.107 0.000 0.995 564 V HN 0.391 nan 8.190 nan 0.000 0.424 565 F N 5.201 125.106 119.950 -0.074 0.000 2.427 565 F HA 0.677 5.204 4.527 0.000 0.000 0.348 565 F C -0.004 175.768 175.800 -0.048 0.000 1.125 565 F CA -0.585 57.345 58.000 -0.116 0.000 0.989 565 F CB 1.499 40.352 39.000 -0.244 0.000 1.165 565 F HN 0.244 nan 8.300 nan 0.000 0.442 566 I N 2.324 122.989 120.570 0.158 0.000 2.436 566 I HA 0.526 4.696 4.170 0.000 0.000 0.289 566 I C 0.637 176.901 176.117 0.244 0.000 1.010 566 I CA -0.976 60.419 61.300 0.158 0.000 1.098 566 I CB 1.719 39.778 38.000 0.099 0.000 1.266 566 I HN 0.807 nan 8.210 nan 0.000 0.434 567 G N 3.759 112.763 108.800 0.339 0.000 2.314 567 G HA2 -0.218 3.743 3.960 0.000 0.000 0.292 567 G HA3 -0.218 3.743 3.960 0.000 0.000 0.292 567 G C 0.088 175.176 174.900 0.312 0.000 1.059 567 G CA 0.479 45.815 45.100 0.394 0.000 0.982 567 G HN 0.835 nan 8.290 nan 0.000 0.505 568 T N -2.663 112.082 114.554 0.317 0.000 2.944 568 T HA 0.677 5.028 4.350 0.000 0.000 0.284 568 T C 0.259 175.184 174.700 0.375 0.000 1.010 568 T CA -0.661 61.639 62.100 0.333 0.000 1.025 568 T CB 2.063 71.088 68.868 0.263 0.000 1.079 568 T HN 0.331 nan 8.240 nan 0.000 0.516 569 E N 0.218 120.637 120.200 0.364 0.000 2.437 569 E HA 0.419 4.769 4.350 0.000 0.000 0.263 569 E C 0.658 177.460 176.600 0.337 0.000 1.030 569 E CA 0.788 57.373 56.400 0.308 0.000 0.934 569 E CB 0.040 29.870 29.700 0.217 0.000 0.943 569 E HN 1.163 nan 8.360 nan 0.000 0.444 570 G N 0.657 109.520 108.800 0.105 0.000 2.788 570 G HA2 0.017 3.977 3.960 0.000 0.000 0.686 570 G HA3 0.017 3.977 3.960 0.000 0.000 0.686 570 G C 0.088 174.909 174.900 -0.131 0.000 1.147 570 G CA -0.349 44.727 45.100 -0.040 0.000 0.755 570 G HN 0.577 nan 8.290 nan 0.000 0.634 571 A N 1.025 123.669 122.820 -0.292 0.000 2.197 571 A HA 0.708 5.028 4.320 0.000 0.000 0.210 571 A C 1.659 179.256 177.584 0.021 0.000 1.180 571 A CA 1.646 53.560 52.037 -0.204 0.000 0.846 571 A CB 0.044 18.867 19.000 -0.295 0.000 0.884 571 A HN 2.247 nan 8.150 nan 0.000 0.487 572 S N -0.226 115.481 115.700 0.011 0.000 2.562 572 S HA 0.383 4.854 4.470 0.000 0.000 0.281 572 S C 1.173 175.900 174.600 0.212 0.000 1.333 572 S CA 0.216 58.452 58.200 0.060 0.000 1.052 572 S CB 1.056 64.208 63.200 -0.079 0.000 0.884 572 S HN 0.512 nan 8.310 nan 0.000 0.506 573 G N 3.096 111.980 108.800 0.141 0.000 3.126 573 G HA2 0.089 4.049 3.960 0.000 0.000 0.224 573 G HA3 0.089 4.049 3.960 0.000 0.000 0.224 573 G C 0.261 175.230 174.900 0.116 0.000 1.142 573 G CA -0.327 44.851 45.100 0.129 0.000 0.759 573 G HN 0.644 nan 8.290 nan 0.000 0.550 574 N N 0.956 119.737 118.700 0.136 0.000 2.469 574 N HA 0.181 4.922 4.740 0.000 0.000 0.253 574 N C 0.974 176.585 175.510 0.168 0.000 0.970 574 N CA -0.783 52.330 53.050 0.105 0.000 0.940 574 N CB 1.389 39.909 38.487 0.055 0.000 1.128 574 N HN -0.090 nan 8.380 nan 0.000 0.503 575 I N 4.122 124.759 120.570 0.111 0.000 2.423 575 I HA -0.134 4.037 4.170 0.000 0.000 0.254 575 I C 1.888 178.082 176.117 0.128 0.000 1.151 575 I CA 1.305 62.660 61.300 0.092 0.000 1.421 575 I CB 0.087 38.096 38.000 0.014 0.000 1.079 575 I HN 0.529 nan 8.210 nan 0.000 0.431 576 R N 0.099 120.641 120.500 0.071 0.000 2.241 576 R HA -0.129 4.211 4.340 0.000 0.000 0.224 576 R C 1.302 177.597 176.300 -0.007 0.000 1.101 576 R CA 1.101 57.216 56.100 0.025 0.000 0.995 576 R CB -0.408 29.898 30.300 0.011 0.000 0.870 576 R HN 0.400 nan 8.270 nan 0.000 0.463 577 D N -0.614 119.782 120.400 -0.007 0.000 2.348 577 D HA -0.110 4.530 4.640 0.000 0.000 0.216 577 D C 0.718 176.823 176.300 -0.325 0.000 0.970 577 D CA 1.139 55.037 54.000 -0.170 0.000 0.889 577 D CB 0.116 40.765 40.800 -0.252 0.000 0.912 577 D HN 0.360 nan 8.370 nan 0.000 0.524 578 Y N -0.339 119.814 120.300 -0.245 0.000 2.444 578 Y HA 0.405 4.955 4.550 0.000 0.000 0.249 578 Y C 0.849 176.584 175.900 -0.274 0.000 1.134 578 Y CA -0.403 57.480 58.100 -0.362 0.000 1.261 578 Y CB 0.659 38.747 38.460 -0.620 0.000 1.143 578 Y HN -0.190 nan 8.280 nan 0.000 0.523 579 A N 1.010 123.803 122.820 -0.045 0.000 2.305 579 A HA 0.672 4.992 4.320 0.000 0.000 0.322 579 A C 0.004 177.551 177.584 -0.063 0.000 1.187 579 A CA -0.195 51.810 52.037 -0.053 0.000 0.825 579 A CB 0.203 19.182 19.000 -0.035 0.000 1.164 579 A HN 0.186 nan 8.150 nan 0.000 0.498 580 T N 0.101 114.617 114.554 -0.064 0.000 2.952 580 T HA 0.543 4.893 4.350 0.000 0.000 0.305 580 T C -0.687 173.981 174.700 -0.054 0.000 1.064 580 T CA -0.697 61.368 62.100 -0.058 0.000 1.008 580 T CB 1.440 70.270 68.868 -0.063 0.000 1.078 580 T HN 0.600 nan 8.240 nan 0.000 0.459 581 Q N 1.599 121.372 119.800 -0.046 0.000 2.286 581 Q HA 0.422 4.762 4.340 0.000 0.000 0.257 581 Q C -0.668 175.304 176.000 -0.046 0.000 0.941 581 Q CA 0.178 55.954 55.803 -0.046 0.000 0.912 581 Q CB 1.018 29.734 28.738 -0.036 0.000 1.192 581 Q HN 0.778 nan 8.270 nan 0.000 0.410 582 Q N 3.816 123.586 119.800 -0.050 0.000 2.414 582 Q HA 0.315 4.655 4.340 0.000 0.000 0.256 582 Q C -0.856 175.117 176.000 -0.046 0.000 0.974 582 Q CA -0.420 55.356 55.803 -0.046 0.000 0.723 582 Q CB 0.616 29.326 28.738 -0.047 0.000 1.281 582 Q HN 0.923 nan 8.270 nan 0.000 0.470 583 N N 1.224 119.901 118.700 -0.039 0.000 1.170 583 N HA -0.259 4.481 4.740 0.000 0.000 0.121 583 N C -0.485 174.998 175.510 -0.046 0.000 0.786 583 N CA 1.908 54.935 53.050 -0.037 0.000 0.876 583 N CB -0.607 37.859 38.487 -0.034 0.000 1.094 583 N HN 0.680 nan 8.380 nan 0.000 0.586 584 D N 1.075 121.446 120.400 -0.050 0.000 2.328 584 D HA 0.116 4.757 4.640 0.000 0.000 0.226 584 D C -0.628 175.625 176.300 -0.079 0.000 1.066 584 D CA 0.613 54.576 54.000 -0.061 0.000 0.861 584 D CB -0.351 40.417 40.800 -0.053 0.000 0.912 584 D HN 0.278 nan 8.370 nan 0.000 0.521 585 D N 0.418 120.770 120.400 -0.080 0.000 2.252 585 D HA 0.300 4.940 4.640 0.000 0.000 0.245 585 D C -0.340 175.903 176.300 -0.095 0.000 1.009 585 D CA -0.670 53.269 54.000 -0.102 0.000 0.870 585 D CB 2.387 43.122 40.800 -0.108 0.000 1.251 585 D HN -0.100 nan 8.370 nan 0.000 0.460 586 L N 1.720 122.874 121.223 -0.114 0.000 2.280 586 L HA 0.332 4.672 4.340 0.000 0.000 0.287 586 L C -1.164 175.638 176.870 -0.113 0.000 1.023 586 L CA -0.586 54.191 54.840 -0.105 0.000 0.819 586 L CB 1.457 43.451 42.059 -0.109 0.000 1.212 586 L HN 0.097 nan 8.230 nan 0.000 0.420 587 V N 6.725 126.588 119.914 -0.085 0.000 2.370 587 V HA 0.368 4.488 4.120 0.000 0.000 0.279 587 V C 0.016 176.073 176.094 -0.063 0.000 1.029 587 V CA -0.497 61.761 62.300 -0.071 0.000 0.870 587 V CB 1.333 33.122 31.823 -0.057 0.000 0.984 587 V HN 0.547 nan 8.190 nan 0.000 0.451 588 L N 5.113 126.312 121.223 -0.040 0.000 2.277 588 L HA 0.721 5.061 4.340 0.000 0.000 0.284 588 L C 0.394 177.263 176.870 -0.002 0.000 1.028 588 L CA -0.332 54.481 54.840 -0.044 0.000 0.835 588 L CB 1.260 43.328 42.059 0.014 0.000 1.215 588 L HN 0.698 nan 8.230 nan 0.000 0.425 589 A N 3.618 126.356 122.820 -0.136 0.000 2.276 589 A HA 0.714 5.035 4.320 0.000 0.000 0.316 589 A C -0.595 176.852 177.584 -0.229 0.000 1.229 589 A CA -0.235 51.755 52.037 -0.078 0.000 0.851 589 A CB 0.102 19.051 19.000 -0.084 0.000 1.165 589 A HN 0.642 nan 8.150 nan 0.000 0.513 590 F N 2.921 122.892 119.950 0.035 0.000 2.627 590 F HA 0.447 4.974 4.527 0.000 0.000 0.329 590 F C 1.440 177.245 175.800 0.009 0.000 1.378 590 F CA 0.574 58.611 58.000 0.062 0.000 1.134 590 F CB 0.624 39.671 39.000 0.078 0.000 1.229 590 F HN 1.054 nan 8.300 nan 0.000 0.537 591 G N 0.795 109.660 108.800 0.108 0.000 2.602 591 G HA2 -0.382 3.578 3.960 0.000 0.000 0.310 591 G HA3 -0.382 3.578 3.960 0.000 0.000 0.310 591 G C 1.125 176.120 174.900 0.159 0.000 1.183 591 G CA 0.576 45.752 45.100 0.127 0.000 0.979 591 G HN 0.538 nan 8.290 nan 0.000 0.545 592 H N 1.399 120.453 119.070 -0.027 0.000 2.543 592 H HA 0.187 4.744 4.556 0.001 0.000 0.286 592 H C 1.011 176.260 175.328 -0.131 0.000 1.037 592 H CA 0.844 56.857 56.048 -0.058 0.000 1.250 592 H CB 0.024 29.760 29.762 -0.044 0.000 1.373 592 H HN 0.261 nan 8.280 nan 0.000 0.580 593 S N 0.199 115.847 115.700 -0.086 0.000 2.600 593 S HA 0.413 4.883 4.470 0.000 0.000 0.300 593 S C -0.461 174.037 174.600 -0.169 0.000 1.087 593 S CA -0.937 57.009 58.200 -0.423 0.000 0.965 593 S CB 2.865 65.282 63.200 -1.305 0.000 1.089 593 S HN 0.427 nan 8.310 nan 0.000 0.496 594 Q N -0.865 118.882 119.800 -0.088 0.000 2.647 594 Q HA 0.700 5.040 4.340 0.000 0.000 0.283 594 Q C -2.200 173.955 176.000 0.259 0.000 0.943 594 Q CA -0.940 54.995 55.803 0.220 0.000 0.813 594 Q CB 1.510 30.312 28.738 0.106 0.000 1.477 594 Q HN 0.476 nan 8.270 nan 0.000 0.393 595 V N 1.250 121.271 119.914 0.178 0.000 2.531 595 V HA 0.593 4.713 4.120 0.000 0.000 0.301 595 V C -1.200 174.874 176.094 -0.033 0.000 1.034 595 V CA -0.081 62.229 62.300 0.017 0.000 0.865 595 V CB 2.036 33.718 31.823 -0.235 0.000 0.995 595 V HN 0.916 nan 8.190 nan 0.000 0.424 596 T N 8.474 122.994 114.554 -0.057 0.000 2.733 596 T HA 0.497 4.848 4.350 0.000 0.000 0.294 596 T C -0.416 174.165 174.700 -0.198 0.000 0.956 596 T CA -0.130 61.904 62.100 -0.111 0.000 0.987 596 T CB 0.715 69.526 68.868 -0.095 0.000 0.920 596 T HN 0.412 nan 8.240 nan 0.000 0.470 597 L N 5.080 126.165 121.223 -0.231 0.000 2.282 597 L HA 0.367 4.708 4.340 0.000 0.000 0.287 597 L C 0.043 176.757 176.870 -0.260 0.000 1.075 597 L CA -0.338 54.322 54.840 -0.301 0.000 0.839 597 L CB -0.270 41.559 42.059 -0.383 0.000 1.219 597 L HN 0.565 nan 8.230 nan 0.000 0.434 598 I N 3.485 123.852 120.570 -0.339 0.000 2.668 598 I HA 0.239 4.410 4.170 0.000 0.000 0.285 598 I C 1.408 177.413 176.117 -0.186 0.000 1.168 598 I CA 0.715 61.823 61.300 -0.319 0.000 1.424 598 I CB 0.139 37.783 38.000 -0.593 0.000 1.377 598 I HN 0.801 nan 8.210 nan 0.000 0.560 599 G N 3.993 112.715 108.800 -0.130 0.000 2.176 599 G HA2 -0.158 3.802 3.960 0.000 0.000 0.252 599 G HA3 -0.158 3.802 3.960 0.000 0.000 0.252 599 G C -0.100 174.744 174.900 -0.094 0.000 1.024 599 G CA 0.037 45.084 45.100 -0.090 0.000 0.755 599 G HN 0.517 nan 8.290 nan 0.000 0.507 600 V N 0.896 120.749 119.914 -0.102 0.000 2.555 600 V HA 0.789 4.909 4.120 0.000 0.000 0.302 600 V C 0.706 176.743 176.094 -0.096 0.000 1.038 600 V CA -0.093 62.156 62.300 -0.084 0.000 0.887 600 V CB 1.870 33.669 31.823 -0.040 0.000 0.991 600 V HN 0.921 nan 8.190 nan 0.000 0.434 601 S N 3.837 119.467 115.700 -0.116 0.000 2.722 601 S HA 0.516 4.987 4.470 0.000 0.000 0.292 601 S C 0.671 175.305 174.600 0.056 0.000 1.135 601 S CA -0.547 57.623 58.200 -0.051 0.000 1.003 601 S CB 1.532 64.681 63.200 -0.085 0.000 1.067 601 S HN 0.491 nan 8.310 nan 0.000 0.546 602 L N 1.068 122.320 121.223 0.049 0.000 2.093 602 L HA 0.011 4.351 4.340 0.000 0.000 0.208 602 L C 1.545 178.468 176.870 0.088 0.000 1.085 602 L CA 2.079 56.949 54.840 0.049 0.000 0.755 602 L CB -0.892 41.179 42.059 0.021 0.000 0.904 602 L HN 0.943 nan 8.230 nan 0.000 0.435 603 D N -3.012 117.469 120.400 0.135 0.000 2.400 603 D HA -0.096 4.544 4.640 0.000 0.000 0.243 603 D C 0.632 176.978 176.300 0.077 0.000 1.184 603 D CA 0.394 54.456 54.000 0.102 0.000 0.853 603 D CB -0.375 40.473 40.800 0.081 0.000 0.944 603 D HN 0.451 nan 8.370 nan 0.000 0.501 604 H N -0.897 118.194 119.070 0.035 0.000 3.398 604 H HA 0.351 4.908 4.556 0.001 0.000 0.260 604 H C -0.151 175.241 175.328 0.106 0.000 1.189 604 H CA -0.379 55.705 56.048 0.060 0.000 1.145 604 H CB 0.867 30.663 29.762 0.058 0.000 1.599 604 H HN 0.097 nan 8.280 nan 0.000 0.615 605 I N 0.742 121.415 120.570 0.171 0.000 2.404 605 I HA 0.279 4.449 4.170 0.000 0.000 0.293 605 I C 0.265 176.447 176.117 0.109 0.000 0.992 605 I CA -0.415 60.985 61.300 0.167 0.000 1.149 605 I CB 1.691 39.747 38.000 0.093 0.000 1.315 605 I HN -0.003 nan 8.210 nan 0.000 0.446 606 S N 2.995 118.766 115.700 0.118 0.000 2.525 606 S HA 0.271 4.742 4.470 0.000 0.000 0.290 606 S C 1.358 176.007 174.600 0.083 0.000 1.152 606 S CA -0.140 58.105 58.200 0.076 0.000 1.072 606 S CB 1.186 64.420 63.200 0.057 0.000 1.027 606 S HN 0.814 nan 8.310 nan 0.000 0.500 607 T N 1.031 115.621 114.554 0.061 0.000 2.849 607 T HA -0.168 4.183 4.350 0.000 0.000 0.270 607 T C 0.903 175.641 174.700 0.064 0.000 1.066 607 T CA 1.742 63.878 62.100 0.060 0.000 1.130 607 T CB -0.751 68.144 68.868 0.046 0.000 0.864 607 T HN 0.779 nan 8.240 nan 0.000 0.481 608 D N 0.504 120.939 120.400 0.058 0.000 2.349 608 D HA -0.008 4.632 4.640 0.000 0.000 0.224 608 D C 1.804 178.144 176.300 0.068 0.000 1.029 608 D CA 0.208 54.241 54.000 0.054 0.000 0.879 608 D CB -0.541 40.283 40.800 0.041 0.000 0.906 608 D HN 0.488 nan 8.370 nan 0.000 0.528 609 Q N -0.078 119.780 119.800 0.096 0.000 2.403 609 Q HA 0.173 4.514 4.340 0.000 0.000 0.203 609 Q C -0.396 175.696 176.000 0.154 0.000 0.932 609 Q CA 0.177 56.061 55.803 0.135 0.000 0.945 609 Q CB 0.986 29.850 28.738 0.210 0.000 1.045 609 Q HN 0.178 nan 8.270 nan 0.000 0.511 610 V N 0.655 120.638 119.914 0.115 0.000 2.638 610 V HA 0.333 4.454 4.120 0.000 0.000 0.306 610 V C -0.481 175.644 176.094 0.051 0.000 1.052 610 V CA -0.845 61.525 62.300 0.117 0.000 0.885 610 V CB 2.210 34.123 31.823 0.150 0.000 0.999 610 V HN -0.231 nan 8.190 nan 0.000 0.424 611 V N 5.911 125.823 119.914 -0.002 0.000 2.417 611 V HA 0.506 4.626 4.120 0.000 0.000 0.291 611 V C -0.368 175.709 176.094 -0.028 0.000 1.024 611 V CA -0.452 61.763 62.300 -0.141 0.000 0.861 611 V CB 1.706 33.225 31.823 -0.508 0.000 0.985 611 V HN 0.651 nan 8.190 nan 0.000 0.436 612 L N 5.057 126.271 121.223 -0.015 0.000 2.318 612 L HA 0.839 5.179 4.340 0.000 0.000 0.277 612 L C 0.201 177.088 176.870 0.028 0.000 1.008 612 L CA -0.039 54.836 54.840 0.058 0.000 0.846 612 L CB 1.368 43.459 42.059 0.054 0.000 1.220 612 L HN 0.804 nan 8.230 nan 0.000 0.423 613 A N 0.000 122.848 122.820 0.047 0.000 2.254 613 A HA 0.000 4.320 4.320 0.000 0.000 0.244 613 A CA 0.000 52.065 52.037 0.047 0.000 0.836 613 A CB 0.000 18.976 19.000 -0.040 0.000 0.831 613 A HN 0.000 nan 8.150 nan 0.000 0.486