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 1glj_1_Y DATA FIRST_RESID 2 DATA SEQUENCE EKKYIVALDQ GTTSSRAVVM DHDANIISVS QREFEQIYPK PGWVEHDPME DATA SEQUENCE IWATQSWTLV EVLAKADISS DQIAAIGITN QRETTIVWEK ETGKPIYNAI DATA SEQUENCE VWQCRRTAEI CEHLKRDGLE DYIRSNTGLV IDPYFSGTKV KWILDHVEGS DATA SEQUENCE RERARRGELL FGTVDTWLIW KMTQGRVHVT DYTNASRTML FNIHTLDWDD DATA SEQUENCE KMLEVLDIPR EMLPEVRRSS EVYGQTNIGX XXXTRIPISG IAGDQQAALF DATA SEQUENCE GQLCVKEGMA KNTYGTGCFM LMNTGEKAVK SENGLLTTIA CGPTGEVNYA DATA SEQUENCE LEGAVFMAGA SIQWLRDEMK LINDAYDSEY FATKVQNTNG VYVVPAFTGL DATA SEQUENCE GAPYWDPYAR GAIFGLTRGV NANHIIRATL ESIAYQTRDV LEAMQADSGI DATA SEQUENCE RLHALRVDGG AVANNFLMQF QSDILGTRVE RPEVREVTAL GAAYLAGLAV DATA SEQUENCE GFWQNLDELQ EKAVIEREFR PGIETTERNY RYAGWKKAVK RAMAWEEH 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 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.558 176.600 -0.070 0.000 1.382 2 E CA 0.000 56.361 56.400 -0.066 0.000 0.976 2 E CB 0.000 29.662 29.700 -0.064 0.000 0.812 3 K N 1.700 122.058 120.400 -0.070 0.000 2.292 3 K HA 0.337 4.657 4.320 -0.000 0.000 0.270 3 K C 0.055 176.606 176.600 -0.082 0.000 1.062 3 K CA -0.221 56.042 56.287 -0.040 0.000 0.916 3 K CB 1.646 34.165 32.500 0.032 0.000 1.166 3 K HN 0.097 nan 8.250 nan 0.000 0.458 4 K N 2.272 122.518 120.400 -0.257 0.000 2.348 4 K HA 0.069 4.388 4.320 -0.000 0.000 0.194 4 K C -0.379 176.013 176.600 -0.347 0.000 1.052 4 K CA 0.604 56.624 56.287 -0.445 0.000 1.004 4 K CB 0.489 32.510 32.500 -0.799 0.000 0.873 4 K HN 0.443 nan 8.250 nan 0.000 0.523 5 Y N -0.506 119.932 120.300 0.229 0.000 2.693 5 Y HA 0.492 5.042 4.550 -0.000 0.000 0.331 5 Y C -0.302 175.511 175.900 -0.145 0.000 1.092 5 Y CA -1.321 56.822 58.100 0.071 0.000 1.131 5 Y CB 1.159 39.642 38.460 0.037 0.000 1.318 5 Y HN -0.261 nan 8.280 nan 0.000 0.510 6 I N 1.181 121.758 120.570 0.012 0.000 2.619 6 I HA 0.535 4.705 4.170 -0.000 0.000 0.292 6 I C -1.796 174.330 176.117 0.015 0.000 1.100 6 I CA -0.931 60.299 61.300 -0.117 0.000 1.043 6 I CB 1.752 39.525 38.000 -0.379 0.000 1.239 6 I HN 0.407 nan 8.210 nan 0.000 0.420 7 V N 6.866 126.790 119.914 0.016 0.000 2.398 7 V HA 0.614 4.734 4.120 -0.000 0.000 0.286 7 V C 0.360 176.470 176.094 0.026 0.000 1.026 7 V CA -0.484 61.830 62.300 0.024 0.000 0.868 7 V CB 1.513 33.349 31.823 0.022 0.000 0.982 7 V HN 0.809 nan 8.190 nan 0.000 0.443 8 A N 5.640 128.476 122.820 0.027 0.000 2.301 8 A HA 0.836 5.156 4.320 -0.000 0.000 0.312 8 A C -1.057 176.539 177.584 0.020 0.000 1.182 8 A CA -0.438 51.614 52.037 0.024 0.000 0.826 8 A CB 0.740 19.752 19.000 0.020 0.000 1.134 8 A HN 0.626 nan 8.150 nan 0.000 0.501 9 L N 2.573 123.808 121.223 0.020 0.000 2.319 9 L HA 0.449 4.789 4.340 -0.000 0.000 0.281 9 L C -0.809 176.077 176.870 0.027 0.000 1.005 9 L CA -0.050 54.803 54.840 0.021 0.000 0.828 9 L CB 1.570 43.640 42.059 0.019 0.000 1.227 9 L HN 0.737 nan 8.230 nan 0.000 0.415 10 D N 3.004 123.427 120.400 0.039 0.000 2.462 10 D HA 0.171 4.811 4.640 -0.000 0.000 0.245 10 D C -0.733 175.619 176.300 0.088 0.000 1.122 10 D CA -0.338 53.694 54.000 0.053 0.000 0.864 10 D CB 1.174 42.004 40.800 0.049 0.000 1.098 10 D HN 0.195 nan 8.370 nan 0.000 0.541 11 Q N 2.923 122.782 119.800 0.098 0.000 2.456 11 Q HA 0.479 4.819 4.340 -0.000 0.000 0.234 11 Q C -0.223 175.903 176.000 0.210 0.000 1.061 11 Q CA -0.505 55.385 55.803 0.146 0.000 0.896 11 Q CB 0.887 29.698 28.738 0.122 0.000 1.233 11 Q HN 0.630 nan 8.270 nan 0.000 0.506 12 G N 1.388 110.361 108.800 0.287 0.000 2.521 12 G HA2 0.312 4.271 3.960 -0.000 0.000 0.323 12 G HA3 0.312 4.271 3.960 -0.000 0.000 0.323 12 G C 0.706 175.893 174.900 0.480 0.000 1.211 12 G CA -0.274 45.014 45.100 0.313 0.000 0.979 12 G HN 0.536 nan 8.290 nan 0.000 0.490 13 T N -0.528 114.287 114.554 0.436 0.000 2.778 13 T HA -0.172 4.178 4.350 -0.000 0.000 0.269 13 T C 2.150 176.990 174.700 0.233 0.000 1.050 13 T CA 2.211 64.629 62.100 0.530 0.000 1.137 13 T CB -0.277 68.927 68.868 0.560 0.000 0.860 13 T HN 0.778 nan 8.240 nan 0.000 0.468 14 T N -1.738 112.774 114.554 -0.071 0.000 3.058 14 T HA 0.408 4.758 4.350 -0.000 0.000 0.278 14 T C 0.358 174.604 174.700 -0.757 0.000 0.974 14 T CA 0.083 61.837 62.100 -0.576 0.000 0.893 14 T CB 0.296 69.040 68.868 -0.207 0.000 1.138 14 T HN 0.457 nan 8.240 nan 0.000 0.529 15 S N -0.079 115.505 115.700 -0.194 0.000 2.567 15 S HA 0.676 5.146 4.470 -0.000 0.000 0.270 15 S C -1.100 173.738 174.600 0.398 0.000 1.152 15 S CA -0.779 57.485 58.200 0.106 0.000 0.835 15 S CB 1.629 64.854 63.200 0.043 0.000 1.115 15 S HN 0.127 nan 8.310 nan 0.000 0.459 16 S N 1.151 117.075 115.700 0.373 0.000 2.585 16 S HA 0.701 5.171 4.470 -0.000 0.000 0.277 16 S C -0.230 174.453 174.600 0.138 0.000 1.241 16 S CA -0.879 57.455 58.200 0.223 0.000 1.041 16 S CB 0.467 63.743 63.200 0.127 0.000 0.987 16 S HN 0.642 nan 8.310 nan 0.000 0.512 17 R N 0.573 121.133 120.500 0.100 0.000 2.771 17 R HA 0.773 5.113 4.340 -0.000 0.000 0.274 17 R C -1.378 174.948 176.300 0.045 0.000 0.987 17 R CA -0.940 55.203 56.100 0.072 0.000 0.908 17 R CB 2.014 32.356 30.300 0.069 0.000 1.213 17 R HN 0.624 nan 8.270 nan 0.000 0.468 18 A N 1.495 124.336 122.820 0.034 0.000 2.374 18 A HA 0.699 5.019 4.320 -0.000 0.000 0.305 18 A C -1.102 176.492 177.584 0.017 0.000 1.053 18 A CA -0.650 51.399 52.037 0.020 0.000 0.726 18 A CB 1.733 20.741 19.000 0.012 0.000 1.229 18 A HN 0.333 nan 8.150 nan 0.000 0.431 19 V N 2.597 122.519 119.914 0.014 0.000 2.760 19 V HA 0.547 4.667 4.120 -0.000 0.000 0.309 19 V C -0.574 175.524 176.094 0.006 0.000 1.077 19 V CA -0.535 61.773 62.300 0.012 0.000 0.910 19 V CB 2.024 33.861 31.823 0.023 0.000 1.008 19 V HN 0.783 nan 8.190 nan 0.000 0.424 20 V N 4.964 124.869 119.914 -0.015 0.000 2.513 20 V HA 0.725 4.845 4.120 -0.000 0.000 0.299 20 V C -0.311 175.780 176.094 -0.005 0.000 1.035 20 V CA -0.537 61.737 62.300 -0.042 0.000 0.889 20 V CB 1.644 33.372 31.823 -0.159 0.000 0.988 20 V HN 0.893 nan 8.190 nan 0.000 0.440 21 M N 3.168 122.807 119.600 0.066 0.000 2.484 21 M HA 0.495 4.975 4.480 -0.000 0.000 0.289 21 M C -0.806 175.701 176.300 0.344 0.000 1.206 21 M CA -0.596 54.809 55.300 0.175 0.000 0.892 21 M CB 2.172 34.906 32.600 0.222 0.000 1.712 21 M HN 0.853 nan 8.290 nan 0.000 0.462 22 D N -0.843 119.788 120.400 0.385 0.000 2.469 22 D HA 0.112 4.752 4.640 -0.000 0.000 0.278 22 D C 0.650 177.180 176.300 0.384 0.000 1.231 22 D CA 0.002 54.287 54.000 0.475 0.000 1.075 22 D CB 0.217 41.250 40.800 0.388 0.000 1.121 22 D HN 0.742 nan 8.370 nan 0.000 0.571 23 H N -1.868 117.341 119.070 0.231 0.000 2.529 23 H HA 0.074 4.630 4.556 -0.000 0.000 0.277 23 H C 0.339 175.826 175.328 0.265 0.000 0.999 23 H CA 0.922 57.046 56.048 0.126 0.000 1.256 23 H CB 0.252 29.923 29.762 -0.152 0.000 1.402 23 H HN 0.277 nan 8.280 nan 0.000 0.566 24 D N 0.285 120.863 120.400 0.298 0.000 2.328 24 D HA 0.165 4.805 4.640 -0.000 0.000 0.221 24 D C 0.244 176.716 176.300 0.286 0.000 1.072 24 D CA 0.779 54.941 54.000 0.270 0.000 0.850 24 D CB 0.105 41.028 40.800 0.206 0.000 0.922 24 D HN 0.455 nan 8.370 nan 0.000 0.516 25 A N 1.506 124.553 122.820 0.378 0.000 2.546 25 A HA -0.194 4.126 4.320 -0.000 0.000 0.295 25 A C -0.209 177.521 177.584 0.244 0.000 1.455 25 A CA 0.186 52.451 52.037 0.380 0.000 0.730 25 A CB -1.952 17.256 19.000 0.347 0.000 1.111 25 A HN 0.237 nan 8.150 nan 0.000 0.411 26 N N -0.434 118.399 118.700 0.221 0.000 2.384 26 N HA 0.648 5.388 4.740 -0.000 0.000 0.301 26 N C -0.443 175.146 175.510 0.132 0.000 1.133 26 N CA -0.590 52.555 53.050 0.158 0.000 0.853 26 N CB 1.010 39.583 38.487 0.144 0.000 1.241 26 N HN 0.308 nan 8.380 nan 0.000 0.502 27 I N 2.525 123.151 120.570 0.092 0.000 2.278 27 I HA 0.099 4.269 4.170 -0.000 0.000 0.296 27 I C 1.471 177.607 176.117 0.031 0.000 1.121 27 I CA -0.146 61.191 61.300 0.062 0.000 1.267 27 I CB -0.195 37.835 38.000 0.050 0.000 1.447 27 I HN 0.457 nan 8.210 nan 0.000 0.509 28 I N 2.518 123.090 120.570 0.003 0.000 2.113 28 I HA -0.149 4.021 4.170 -0.000 0.000 0.238 28 I C 1.227 177.315 176.117 -0.049 0.000 1.070 28 I CA 1.315 62.585 61.300 -0.051 0.000 1.332 28 I CB -0.292 37.597 38.000 -0.186 0.000 1.044 28 I HN 0.669 nan 8.210 nan 0.000 0.402 29 S N -1.694 113.973 115.700 -0.055 0.000 2.588 29 S HA 0.680 5.150 4.470 -0.000 0.000 0.269 29 S C -1.532 173.057 174.600 -0.020 0.000 1.157 29 S CA -0.736 57.441 58.200 -0.037 0.000 0.824 29 S CB 1.239 64.406 63.200 -0.055 0.000 1.126 29 S HN -0.181 nan 8.310 nan 0.000 0.464 30 V N 2.322 122.232 119.914 -0.006 0.000 2.525 30 V HA 0.708 4.828 4.120 -0.000 0.000 0.299 30 V C -0.026 176.075 176.094 0.013 0.000 1.034 30 V CA -0.462 61.842 62.300 0.007 0.000 0.863 30 V CB 1.524 33.356 31.823 0.016 0.000 0.999 30 V HN 0.897 nan 8.190 nan 0.000 0.423 31 S N 3.766 119.478 115.700 0.020 0.000 2.681 31 S HA 0.778 5.248 4.470 -0.000 0.000 0.299 31 S C -0.908 173.719 174.600 0.045 0.000 1.113 31 S CA -0.401 57.817 58.200 0.031 0.000 1.013 31 S CB 1.697 64.920 63.200 0.037 0.000 1.076 31 S HN 0.819 nan 8.310 nan 0.000 0.534 32 Q N 2.466 122.300 119.800 0.056 0.000 2.686 32 Q HA 0.184 4.524 4.340 -0.000 0.000 0.222 32 Q C -1.796 174.255 176.000 0.084 0.000 0.777 32 Q CA -0.292 55.553 55.803 0.071 0.000 1.018 32 Q CB 0.693 29.467 28.738 0.060 0.000 1.563 32 Q HN 0.747 nan 8.270 nan 0.000 0.479 33 R N 1.955 122.526 120.500 0.119 0.000 2.460 33 R HA 0.423 4.763 4.340 -0.000 0.000 0.303 33 R C -0.322 176.081 176.300 0.171 0.000 0.968 33 R CA -0.796 55.384 56.100 0.133 0.000 0.889 33 R CB 1.844 32.246 30.300 0.169 0.000 1.123 33 R HN 0.489 nan 8.270 nan 0.000 0.455 34 E N 2.555 122.824 120.200 0.116 0.000 2.349 34 E HA 0.238 4.588 4.350 -0.000 0.000 0.262 34 E C -0.894 175.789 176.600 0.139 0.000 1.088 34 E CA -0.037 56.391 56.400 0.046 0.000 0.899 34 E CB 0.883 30.572 29.700 -0.018 0.000 1.044 34 E HN 0.338 nan 8.360 nan 0.000 0.420 35 F N -1.142 118.797 119.950 -0.018 0.000 2.613 35 F HA 0.401 4.928 4.527 -0.000 0.000 0.310 35 F C -0.182 175.562 175.800 -0.093 0.000 1.085 35 F CA -1.251 56.718 58.000 -0.052 0.000 0.945 35 F CB 0.675 39.629 39.000 -0.077 0.000 1.298 35 F HN 0.250 nan 8.300 nan 0.000 0.455 36 E N 1.815 122.080 120.200 0.108 0.000 2.384 36 E HA 0.085 4.435 4.350 -0.000 0.000 0.266 36 E C -0.933 175.651 176.600 -0.027 0.000 1.012 36 E CA -0.396 56.003 56.400 -0.002 0.000 0.901 36 E CB 0.696 30.407 29.700 0.019 0.000 0.967 36 E HN 0.588 nan 8.360 nan 0.000 0.435 37 Q N 4.362 124.080 119.800 -0.135 0.000 2.368 37 Q HA 0.321 4.661 4.340 -0.000 0.000 0.256 37 Q C -0.344 175.317 176.000 -0.565 0.000 0.980 37 Q CA -0.299 55.369 55.803 -0.225 0.000 0.887 37 Q CB 1.060 29.658 28.738 -0.233 0.000 1.221 37 Q HN 0.530 nan 8.270 nan 0.000 0.458 38 I N 3.395 123.765 120.570 -0.333 0.000 2.304 38 I HA 0.152 4.322 4.170 -0.000 0.000 0.291 38 I C -0.737 175.215 176.117 -0.275 0.000 1.018 38 I CA -0.802 60.305 61.300 -0.322 0.000 1.260 38 I CB 0.464 38.425 38.000 -0.065 0.000 1.390 38 I HN 0.412 nan 8.210 nan 0.000 0.475 39 Y N 7.540 127.885 120.300 0.076 0.000 2.960 39 Y HA 0.291 4.841 4.550 -0.000 0.000 0.343 39 Y C -1.476 174.454 175.900 0.049 0.000 1.106 39 Y CA -3.037 55.102 58.100 0.065 0.000 1.221 39 Y CB -0.562 37.920 38.460 0.037 0.000 1.232 39 Y HN 0.491 nan 8.280 nan 0.000 0.577 40 P HA -0.184 nan 4.420 nan 0.000 0.217 40 P C 0.040 177.325 177.300 -0.024 0.000 1.148 40 P CA 1.422 64.589 63.100 0.111 0.000 0.828 40 P CB 0.721 32.551 31.700 0.217 0.000 0.783 41 K N -1.743 118.605 120.400 -0.086 0.000 2.598 41 K HA 0.290 4.610 4.320 -0.000 0.000 0.271 41 K C -3.270 173.185 176.600 -0.241 0.000 0.947 41 K CA -2.038 54.060 56.287 -0.315 0.000 0.854 41 K CB 1.590 33.659 32.500 -0.719 0.000 1.401 41 K HN -0.345 nan 8.250 nan 0.000 0.415 42 P HA -0.007 nan 4.420 nan 0.000 0.251 42 P C 0.530 177.813 177.300 -0.028 0.000 1.154 42 P CA 1.735 64.773 63.100 -0.104 0.000 0.805 42 P CB -0.084 31.559 31.700 -0.095 0.000 0.759 43 G N 1.141 109.980 108.800 0.066 0.000 2.184 43 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.206 43 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.206 43 G C -0.776 174.380 174.900 0.426 0.000 0.995 43 G CA -0.763 44.451 45.100 0.190 0.000 0.651 43 G HN 0.338 nan 8.290 nan 0.000 0.511 44 W N 0.127 121.388 121.300 -0.066 0.000 2.632 44 W HA 0.748 5.408 4.660 -0.000 0.000 0.328 44 W C -0.169 176.365 176.519 0.025 0.000 1.044 44 W CA -1.473 55.831 57.345 -0.068 0.000 1.225 44 W CB 1.858 31.279 29.460 -0.066 0.000 1.396 44 W HN 0.326 nan 8.180 nan 0.000 0.499 45 V N 2.677 122.672 119.914 0.135 0.000 2.612 45 V HA 0.479 4.599 4.120 -0.000 0.000 0.301 45 V C -0.467 175.578 176.094 -0.082 0.000 1.059 45 V CA -1.248 61.106 62.300 0.089 0.000 0.886 45 V CB 1.521 33.350 31.823 0.010 0.000 1.007 45 V HN 0.540 nan 8.190 nan 0.000 0.426 46 E N 2.911 123.094 120.200 -0.028 0.000 2.410 46 E HA 0.759 5.109 4.350 -0.000 0.000 0.269 46 E C -1.539 175.141 176.600 0.133 0.000 0.937 46 E CA -1.071 55.304 56.400 -0.043 0.000 0.793 46 E CB 2.481 32.202 29.700 0.036 0.000 1.314 46 E HN 0.704 nan 8.360 nan 0.000 0.447 47 H N -0.078 119.010 119.070 0.030 0.000 2.894 47 H HA 0.285 4.841 4.556 -0.000 0.000 0.368 47 H C -1.272 174.051 175.328 -0.007 0.000 1.181 47 H CA -1.099 54.986 56.048 0.061 0.000 1.146 47 H CB 1.568 31.392 29.762 0.104 0.000 1.839 47 H HN 0.400 nan 8.280 nan 0.000 0.557 48 D N 2.604 123.071 120.400 0.112 0.000 2.456 48 D HA 0.171 4.811 4.640 -0.000 0.000 0.219 48 D C -1.694 174.607 176.300 0.001 0.000 1.126 48 D CA -2.256 51.763 54.000 0.031 0.000 0.890 48 D CB 1.147 41.972 40.800 0.041 0.000 1.025 48 D HN 0.122 nan 8.370 nan 0.000 0.511 49 P HA -0.247 nan 4.420 nan 0.000 0.220 49 P C 1.713 179.166 177.300 0.256 0.000 1.155 49 P CA 1.430 64.449 63.100 -0.135 0.000 0.880 49 P CB 0.143 31.496 31.700 -0.579 0.000 0.790 50 M N -0.735 118.995 119.600 0.216 0.000 2.062 50 M HA -0.147 4.332 4.480 -0.000 0.000 0.259 50 M C 2.310 178.748 176.300 0.229 0.000 1.076 50 M CA 1.753 57.247 55.300 0.324 0.000 1.122 50 M CB -1.952 30.783 32.600 0.225 0.000 1.312 50 M HN 0.045 nan 8.290 nan 0.000 0.412 51 E N 0.535 120.802 120.200 0.112 0.000 2.147 51 E HA -0.225 4.125 4.350 -0.000 0.000 0.199 51 E C 1.882 178.439 176.600 -0.071 0.000 1.005 51 E CA 1.421 57.852 56.400 0.050 0.000 0.810 51 E CB -0.090 29.643 29.700 0.055 0.000 0.736 51 E HN 0.343 nan 8.360 nan 0.000 0.460 52 I N 0.779 121.269 120.570 -0.134 0.000 2.052 52 I HA -0.319 3.851 4.170 -0.000 0.000 0.235 52 I C 2.233 178.339 176.117 -0.018 0.000 1.046 52 I CA 2.102 63.235 61.300 -0.278 0.000 1.308 52 I CB -0.804 37.116 38.000 -0.132 0.000 1.031 52 I HN 0.433 nan 8.210 nan 0.000 0.395 53 W N 1.630 122.931 121.300 0.001 0.000 2.287 53 W HA -0.468 4.192 4.660 -0.000 0.000 0.341 53 W C 2.567 178.938 176.519 -0.246 0.000 1.361 53 W CA 2.248 59.517 57.345 -0.127 0.000 1.241 53 W CB -0.625 28.762 29.460 -0.123 0.000 1.120 53 W HN 0.322 nan 8.180 nan 0.000 0.468 54 A N 0.816 123.461 122.820 -0.292 0.000 1.870 54 A HA -0.436 3.884 4.320 -0.000 0.000 0.219 54 A C 1.909 179.079 177.584 -0.689 0.000 1.286 54 A CA 4.186 55.854 52.037 -0.614 0.000 0.682 54 A CB -2.001 16.959 19.000 -0.067 0.000 0.844 54 A HN 0.672 nan 8.150 nan 0.000 0.460 55 T N -2.888 111.555 114.554 -0.185 0.000 2.918 55 T HA -0.228 4.122 4.350 -0.000 0.000 0.271 55 T C 1.731 176.340 174.700 -0.151 0.000 1.104 55 T CA 2.019 64.113 62.100 -0.010 0.000 1.114 55 T CB -0.281 68.680 68.868 0.155 0.000 0.855 55 T HN 0.507 nan 8.240 nan 0.000 0.518 56 Q N 0.707 120.331 119.800 -0.294 0.000 2.269 56 Q HA 0.186 4.526 4.340 -0.000 0.000 0.201 56 Q C 2.464 178.211 176.000 -0.421 0.000 0.946 56 Q CA 1.154 56.818 55.803 -0.232 0.000 0.877 56 Q CB -0.542 28.139 28.738 -0.096 0.000 0.963 56 Q HN 0.546 nan 8.270 nan 0.000 0.472 57 S N -0.289 114.866 115.700 -0.908 0.000 2.348 57 S HA -0.128 4.342 4.470 -0.000 0.000 0.221 57 S C 1.286 175.410 174.600 -0.792 0.000 1.033 57 S CA 1.404 58.879 58.200 -1.209 0.000 1.010 57 S CB -0.428 61.563 63.200 -2.015 0.000 0.891 57 S HN 0.611 nan 8.310 nan 0.000 0.442 58 W N 1.859 122.999 121.300 -0.267 0.000 2.354 58 W HA -0.163 4.497 4.660 -0.000 0.000 0.315 58 W C 2.863 179.317 176.519 -0.108 0.000 1.206 58 W CA 1.171 58.420 57.345 -0.160 0.000 1.290 58 W CB -1.536 27.852 29.460 -0.121 0.000 1.152 58 W HN 0.320 nan 8.180 nan 0.000 0.489 59 T N 0.439 115.068 114.554 0.125 0.000 2.620 59 T HA -0.374 3.976 4.350 -0.000 0.000 0.267 59 T C 1.705 176.428 174.700 0.038 0.000 1.044 59 T CA 1.602 63.748 62.100 0.075 0.000 1.161 59 T CB -1.143 67.753 68.868 0.047 0.000 0.862 59 T HN -0.003 nan 8.240 nan 0.000 0.438 60 L N 1.319 122.532 121.223 -0.016 0.000 1.987 60 L HA -0.190 4.150 4.340 -0.000 0.000 0.230 60 L C 2.723 179.599 176.870 0.010 0.000 1.089 60 L CA 1.758 56.584 54.840 -0.023 0.000 0.802 60 L CB -1.237 40.777 42.059 -0.075 0.000 0.905 60 L HN 0.278 nan 8.230 nan 0.000 0.441 61 V N -0.291 119.644 119.914 0.035 0.000 2.259 61 V HA -0.420 3.700 4.120 -0.000 0.000 0.245 61 V C 2.380 178.505 176.094 0.051 0.000 1.024 61 V CA 2.182 64.523 62.300 0.068 0.000 1.022 61 V CB -0.793 31.128 31.823 0.163 0.000 0.663 61 V HN 0.587 nan 8.190 nan 0.000 0.480 62 E N -0.229 120.011 120.200 0.067 0.000 2.237 62 E HA -0.348 4.002 4.350 -0.000 0.000 0.249 62 E C 2.019 178.629 176.600 0.016 0.000 1.035 62 E CA 2.952 59.374 56.400 0.036 0.000 0.992 62 E CB -1.070 28.657 29.700 0.045 0.000 0.899 62 E HN 0.578 nan 8.360 nan 0.000 0.525 63 V N 1.179 121.101 119.914 0.013 0.000 2.233 63 V HA -0.360 3.760 4.120 -0.000 0.000 0.256 63 V C 2.574 178.655 176.094 -0.022 0.000 1.069 63 V CA 2.591 64.886 62.300 -0.009 0.000 1.054 63 V CB -1.455 30.359 31.823 -0.015 0.000 0.664 63 V HN 0.208 nan 8.190 nan 0.000 0.453 64 L N 0.687 121.904 121.223 -0.011 0.000 1.924 64 L HA -0.193 4.147 4.340 -0.000 0.000 0.237 64 L C 2.907 179.772 176.870 -0.008 0.000 1.090 64 L CA 1.887 56.721 54.840 -0.010 0.000 0.829 64 L CB -1.448 40.618 42.059 0.011 0.000 0.903 64 L HN 0.399 nan 8.230 nan 0.000 0.430 65 A N 0.544 123.367 122.820 0.006 0.000 2.096 65 A HA -0.295 4.025 4.320 -0.000 0.000 0.225 65 A C 1.982 179.564 177.584 -0.003 0.000 1.192 65 A CA 2.693 54.734 52.037 0.006 0.000 0.679 65 A CB -0.998 18.009 19.000 0.013 0.000 0.821 65 A HN 0.702 nan 8.150 nan 0.000 0.484 66 K N -1.828 118.567 120.400 -0.008 0.000 2.387 66 K HA 0.559 4.879 4.320 -0.000 0.000 0.198 66 K C 0.849 177.438 176.600 -0.019 0.000 1.022 66 K CA 0.725 57.005 56.287 -0.012 0.000 1.128 66 K CB 0.160 32.654 32.500 -0.011 0.000 0.853 66 K HN 0.339 nan 8.250 nan 0.000 0.523 67 A N 1.261 124.064 122.820 -0.028 0.000 2.600 67 A HA 0.148 4.468 4.320 -0.000 0.000 0.252 67 A C -0.383 177.185 177.584 -0.026 0.000 1.200 67 A CA -0.168 51.843 52.037 -0.042 0.000 0.981 67 A CB 0.306 19.254 19.000 -0.087 0.000 1.207 67 A HN 0.309 nan 8.150 nan 0.000 0.577 68 D N -0.465 119.929 120.400 -0.010 0.000 2.772 68 D HA -0.155 4.485 4.640 -0.000 0.000 0.233 68 D C -0.323 175.995 176.300 0.030 0.000 1.143 68 D CA 0.880 54.886 54.000 0.011 0.000 0.700 68 D CB -1.325 39.485 40.800 0.017 0.000 1.076 68 D HN 0.400 nan 8.370 nan 0.000 0.430 69 I N 0.417 120.999 120.570 0.020 0.000 2.662 69 I HA 0.166 4.336 4.170 -0.000 0.000 0.291 69 I C 1.000 177.164 176.117 0.078 0.000 1.046 69 I CA 0.079 61.424 61.300 0.075 0.000 1.361 69 I CB 1.197 39.220 38.000 0.038 0.000 1.429 69 I HN -0.123 nan 8.210 nan 0.000 0.558 70 S N 1.734 117.499 115.700 0.107 0.000 2.536 70 S HA 0.284 4.753 4.470 -0.000 0.000 0.298 70 S C 0.916 175.565 174.600 0.082 0.000 1.083 70 S CA -0.706 57.539 58.200 0.074 0.000 0.995 70 S CB 1.555 64.790 63.200 0.057 0.000 1.058 70 S HN 0.623 nan 8.310 nan 0.000 0.488 71 S N 1.387 117.123 115.700 0.059 0.000 2.434 71 S HA -0.278 4.191 4.470 -0.000 0.000 0.243 71 S C 1.215 175.850 174.600 0.058 0.000 1.045 71 S CA 2.087 60.320 58.200 0.054 0.000 1.019 71 S CB -0.883 62.339 63.200 0.037 0.000 0.811 71 S HN 0.954 nan 8.310 nan 0.000 0.485 72 D N 1.557 121.989 120.400 0.054 0.000 2.347 72 D HA -0.120 4.520 4.640 -0.000 0.000 0.215 72 D C 1.567 177.896 176.300 0.048 0.000 0.976 72 D CA 0.610 54.636 54.000 0.043 0.000 0.884 72 D CB -0.467 40.352 40.800 0.030 0.000 0.915 72 D HN 0.665 nan 8.370 nan 0.000 0.526 73 Q N 0.029 119.879 119.800 0.083 0.000 2.247 73 Q HA 0.248 4.588 4.340 -0.000 0.000 0.211 73 Q C -0.178 175.881 176.000 0.097 0.000 0.861 73 Q CA -0.287 55.555 55.803 0.065 0.000 0.949 73 Q CB 0.370 29.165 28.738 0.095 0.000 1.115 73 Q HN 0.424 nan 8.270 nan 0.000 0.507 74 I N -2.745 117.909 120.570 0.141 0.000 2.493 74 I HA 0.665 4.835 4.170 -0.000 0.000 0.298 74 I C 0.763 176.944 176.117 0.107 0.000 0.998 74 I CA -0.996 60.398 61.300 0.157 0.000 1.137 74 I CB 1.218 39.325 38.000 0.179 0.000 1.310 74 I HN -0.121 nan 8.210 nan 0.000 0.445 75 A N 4.291 127.181 122.820 0.116 0.000 1.881 75 A HA 0.563 4.883 4.320 -0.000 0.000 0.208 75 A C 1.335 178.958 177.584 0.064 0.000 1.264 75 A CA 1.640 53.752 52.037 0.124 0.000 0.629 75 A CB -1.075 18.062 19.000 0.228 0.000 0.906 75 A HN 1.084 nan 8.150 nan 0.000 0.476 76 A N -1.781 121.056 122.820 0.028 0.000 2.637 76 A HA 0.761 5.081 4.320 -0.000 0.000 0.258 76 A C -0.626 176.971 177.584 0.022 0.000 1.250 76 A CA -0.540 51.513 52.037 0.028 0.000 0.931 76 A CB 0.492 19.511 19.000 0.032 0.000 1.488 76 A HN 0.530 nan 8.150 nan 0.000 0.464 77 I N -0.408 120.183 120.570 0.036 0.000 2.534 77 I HA 0.498 4.668 4.170 -0.000 0.000 0.288 77 I C 0.383 176.535 176.117 0.059 0.000 1.077 77 I CA -0.346 60.980 61.300 0.042 0.000 1.051 77 I CB 2.208 40.234 38.000 0.043 0.000 1.234 77 I HN 0.728 nan 8.210 nan 0.000 0.425 78 G N 6.609 115.439 108.800 0.050 0.000 2.425 78 G HA2 0.749 4.709 3.960 -0.000 0.000 0.302 78 G HA3 0.749 4.709 3.960 -0.000 0.000 0.302 78 G C -0.718 174.203 174.900 0.035 0.000 1.159 78 G CA -0.322 44.808 45.100 0.051 0.000 0.865 78 G HN 0.370 nan 8.290 nan 0.000 0.515 79 I N 1.382 121.966 120.570 0.023 0.000 2.512 79 I HA 0.358 4.528 4.170 -0.000 0.000 0.287 79 I C -0.335 175.771 176.117 -0.019 0.000 1.069 79 I CA -0.582 60.720 61.300 0.004 0.000 1.056 79 I CB 1.335 39.332 38.000 -0.006 0.000 1.229 79 I HN 0.500 nan 8.210 nan 0.000 0.429 80 T N 3.524 118.072 114.554 -0.010 0.000 2.876 80 T HA 0.761 5.111 4.350 -0.000 0.000 0.289 80 T C -0.464 174.239 174.700 0.005 0.000 1.014 80 T CA -0.936 61.153 62.100 -0.019 0.000 0.986 80 T CB 2.558 71.409 68.868 -0.027 0.000 1.021 80 T HN 0.737 nan 8.240 nan 0.000 0.458 81 N N 0.088 118.784 118.700 -0.007 0.000 2.825 81 N HA 0.378 5.118 4.740 -0.000 0.000 0.253 81 N C -1.210 174.302 175.510 0.004 0.000 1.426 81 N CA -1.339 51.730 53.050 0.030 0.000 0.851 81 N CB 1.008 39.518 38.487 0.038 0.000 1.470 81 N HN 0.765 nan 8.380 nan 0.000 0.517 82 Q N -0.287 119.558 119.800 0.075 0.000 2.300 82 Q HA 0.237 4.577 4.340 -0.000 0.000 0.280 82 Q C 0.034 176.026 176.000 -0.013 0.000 1.033 82 Q CA -0.155 55.690 55.803 0.070 0.000 0.903 82 Q CB 1.225 30.156 28.738 0.322 0.000 1.195 82 Q HN 0.583 nan 8.270 nan 0.000 0.386 83 R N 1.409 121.781 120.500 -0.213 0.000 2.275 83 R HA -0.034 4.306 4.340 -0.000 0.000 0.199 83 R C 0.486 176.754 176.300 -0.054 0.000 0.989 83 R CA 0.756 56.755 56.100 -0.169 0.000 1.016 83 R CB 0.439 30.575 30.300 -0.273 0.000 0.918 83 R HN 0.702 nan 8.270 nan 0.000 0.473 84 E N -1.172 119.084 120.200 0.094 0.000 2.485 84 E HA 0.087 4.437 4.350 -0.000 0.000 0.213 84 E C -0.354 176.367 176.600 0.202 0.000 0.923 84 E CA 0.125 56.618 56.400 0.155 0.000 1.054 84 E CB 0.830 30.638 29.700 0.179 0.000 1.077 84 E HN -0.029 nan 8.360 nan 0.000 0.509 85 T N 1.885 116.596 114.554 0.261 0.000 2.777 85 T HA -0.014 4.336 4.350 -0.000 0.000 0.273 85 T C 0.139 174.893 174.700 0.090 0.000 1.016 85 T CA 0.753 62.956 62.100 0.171 0.000 1.156 85 T CB 0.281 69.274 68.868 0.209 0.000 1.019 85 T HN -0.045 nan 8.240 nan 0.000 0.503 86 T N 4.172 118.766 114.554 0.067 0.000 2.824 86 T HA 0.649 4.999 4.350 -0.000 0.000 0.280 86 T C -0.049 174.660 174.700 0.015 0.000 0.995 86 T CA -0.560 61.589 62.100 0.081 0.000 1.009 86 T CB 0.575 69.555 68.868 0.187 0.000 0.955 86 T HN 0.405 nan 8.240 nan 0.000 0.452 87 I N 1.928 122.486 120.570 -0.020 0.000 2.619 87 I HA 0.641 4.811 4.170 -0.000 0.000 0.292 87 I C -0.822 175.369 176.117 0.123 0.000 1.100 87 I CA -0.958 60.320 61.300 -0.036 0.000 1.043 87 I CB 2.219 40.044 38.000 -0.291 0.000 1.239 87 I HN 0.282 nan 8.210 nan 0.000 0.420 88 V N 4.587 124.581 119.914 0.133 0.000 2.686 88 V HA 0.676 4.796 4.120 -0.000 0.000 0.306 88 V C -1.558 174.602 176.094 0.110 0.000 1.065 88 V CA -0.365 61.972 62.300 0.063 0.000 0.894 88 V CB 1.958 33.808 31.823 0.044 0.000 1.004 88 V HN 0.907 nan 8.190 nan 0.000 0.424 89 W N 2.276 123.463 121.300 -0.188 0.000 3.167 89 W HA 0.738 5.398 4.660 -0.000 0.000 0.324 89 W C -0.743 175.672 176.519 -0.172 0.000 1.230 89 W CA -0.906 56.323 57.345 -0.194 0.000 1.184 89 W CB 0.764 30.062 29.460 -0.270 0.000 1.414 89 W HN 0.490 nan 8.180 nan 0.000 0.551 90 E N 2.734 122.998 120.200 0.108 0.000 2.452 90 E HA -0.055 4.295 4.350 -0.000 0.000 0.261 90 E C 0.844 177.571 176.600 0.211 0.000 0.987 90 E CA 0.207 56.652 56.400 0.075 0.000 0.926 90 E CB 1.429 31.198 29.700 0.114 0.000 0.934 90 E HN 0.541 nan 8.360 nan 0.000 0.452 91 K N 3.037 123.503 120.400 0.109 0.000 2.107 91 K HA -0.108 4.212 4.320 -0.000 0.000 0.211 91 K C 1.545 178.359 176.600 0.356 0.000 1.024 91 K CA 0.536 57.000 56.287 0.295 0.000 0.953 91 K CB 0.020 32.621 32.500 0.168 0.000 0.831 91 K HN 0.420 nan 8.250 nan 0.000 0.454 92 E N 0.108 120.430 120.200 0.204 0.000 2.119 92 E HA -0.310 4.040 4.350 -0.000 0.000 0.221 92 E C 1.800 178.524 176.600 0.206 0.000 1.062 92 E CA 3.164 59.666 56.400 0.170 0.000 0.894 92 E CB -0.401 29.361 29.700 0.103 0.000 0.785 92 E HN 0.584 nan 8.360 nan 0.000 0.472 93 T N -2.397 112.272 114.554 0.191 0.000 2.833 93 T HA -0.088 4.262 4.350 -0.000 0.000 0.269 93 T C 1.484 176.344 174.700 0.266 0.000 1.054 93 T CA 1.666 63.879 62.100 0.188 0.000 1.135 93 T CB -0.493 68.464 68.868 0.149 0.000 0.869 93 T HN 0.573 nan 8.240 nan 0.000 0.466 94 G N 1.546 110.594 108.800 0.414 0.000 2.198 94 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.257 94 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.257 94 G C -0.191 174.893 174.900 0.306 0.000 1.042 94 G CA 0.526 45.949 45.100 0.539 0.000 0.791 94 G HN 1.008 nan 8.290 nan 0.000 0.502 95 K N -0.009 120.559 120.400 0.280 0.000 2.464 95 K HA 0.690 5.010 4.320 -0.000 0.000 0.253 95 K C -2.884 173.838 176.600 0.204 0.000 0.933 95 K CA -2.348 54.065 56.287 0.211 0.000 0.801 95 K CB 3.058 35.655 32.500 0.161 0.000 1.271 95 K HN -0.045 nan 8.250 nan 0.000 0.430 96 P HA 0.041 nan 4.420 nan 0.000 0.268 96 P C 0.166 177.516 177.300 0.083 0.000 1.205 96 P CA -0.132 63.005 63.100 0.062 0.000 0.771 96 P CB 0.244 31.881 31.700 -0.105 0.000 0.858 97 I N -0.393 120.241 120.570 0.106 0.000 3.877 97 I HA 0.515 4.685 4.170 -0.000 0.000 0.332 97 I C -0.706 175.537 176.117 0.210 0.000 1.525 97 I CA -0.481 60.889 61.300 0.118 0.000 1.146 97 I CB -0.205 37.851 38.000 0.093 0.000 1.137 97 I HN 0.127 nan 8.210 nan 0.000 0.424 98 Y N 0.215 120.540 120.300 0.041 0.000 2.374 98 Y HA 0.183 4.733 4.550 -0.000 0.000 0.334 98 Y C -0.655 175.245 175.900 0.000 0.000 1.401 98 Y CA -1.047 57.085 58.100 0.054 0.000 1.461 98 Y CB 0.494 39.021 38.460 0.112 0.000 1.285 98 Y HN 0.244 nan 8.280 nan 0.000 0.471 99 N N 2.624 121.197 118.700 -0.211 0.000 2.283 99 N HA 0.350 5.090 4.740 -0.000 0.000 0.236 99 N C -0.229 175.355 175.510 0.122 0.000 1.252 99 N CA 0.579 53.594 53.050 -0.059 0.000 0.856 99 N CB 0.481 38.874 38.487 -0.157 0.000 1.099 99 N HN 0.693 nan 8.380 nan 0.000 0.444 100 A N 2.115 124.938 122.820 0.005 0.000 2.546 100 A HA 0.114 4.434 4.320 -0.000 0.000 0.243 100 A C 0.163 177.736 177.584 -0.018 0.000 1.063 100 A CA 0.144 52.171 52.037 -0.017 0.000 0.757 100 A CB -0.200 18.777 19.000 -0.039 0.000 0.991 100 A HN 0.572 nan 8.150 nan 0.000 0.503 101 I N 3.796 124.339 120.570 -0.044 0.000 2.297 101 I HA 0.163 4.333 4.170 -0.000 0.000 0.291 101 I C -0.082 175.940 176.117 -0.157 0.000 1.033 101 I CA -0.535 60.681 61.300 -0.140 0.000 1.253 101 I CB 1.218 39.083 38.000 -0.225 0.000 1.396 101 I HN 0.366 nan 8.210 nan 0.000 0.476 102 V N 6.435 126.187 119.914 -0.270 0.000 2.811 102 V HA -0.043 4.077 4.120 -0.000 0.000 0.302 102 V C 1.249 177.180 176.094 -0.271 0.000 1.063 102 V CA -0.408 61.698 62.300 -0.323 0.000 1.088 102 V CB 0.663 32.123 31.823 -0.605 0.000 0.982 102 V HN 0.912 nan 8.190 nan 0.000 0.485 103 W N 1.719 122.993 121.300 -0.044 0.000 2.313 103 W HA -0.251 4.409 4.660 -0.000 0.000 0.293 103 W C 1.573 177.990 176.519 -0.170 0.000 1.216 103 W CA 1.333 58.695 57.345 0.029 0.000 1.223 103 W CB -0.982 28.642 29.460 0.273 0.000 1.138 103 W HN 0.679 nan 8.180 nan 0.000 0.535 104 Q N 0.636 119.847 119.800 -0.982 0.000 2.135 104 Q HA -0.137 4.203 4.340 -0.000 0.000 0.204 104 Q C 1.268 176.923 176.000 -0.576 0.000 0.981 104 Q CA 1.331 56.534 55.803 -1.001 0.000 0.856 104 Q CB -0.210 27.864 28.738 -1.106 0.000 0.902 104 Q HN 0.193 nan 8.270 nan 0.000 0.425 105 C N 2.055 121.088 119.300 -0.445 0.000 2.437 105 C HA -0.071 4.389 4.460 -0.000 0.000 0.399 105 C C 1.209 175.995 174.990 -0.339 0.000 1.478 105 C CA 0.048 58.856 59.018 -0.350 0.000 1.538 105 C CB -0.288 27.210 27.740 -0.402 0.000 2.506 105 C HN 0.394 nan 8.230 nan 0.000 0.603 106 R N 5.285 125.613 120.500 -0.287 0.000 2.427 106 R HA 0.038 4.378 4.340 -0.000 0.000 0.262 106 R C 2.103 178.203 176.300 -0.333 0.000 0.943 106 R CA -0.208 55.755 56.100 -0.228 0.000 1.081 106 R CB -0.345 29.901 30.300 -0.090 0.000 1.166 106 R HN 0.825 nan 8.270 nan 0.000 0.534 107 R N 1.169 121.185 120.500 -0.806 0.000 2.117 107 R HA -0.092 4.248 4.340 -0.000 0.000 0.243 107 R C 0.702 176.761 176.300 -0.401 0.000 1.143 107 R CA 1.932 57.433 56.100 -0.998 0.000 0.968 107 R CB -1.288 27.755 30.300 -2.095 0.000 0.863 107 R HN -0.000 nan 8.270 nan 0.000 0.444 108 T N -1.580 112.787 114.554 -0.311 0.000 3.667 108 T HA 0.522 4.872 4.350 -0.000 0.000 0.240 108 T C 1.309 176.023 174.700 0.024 0.000 0.919 108 T CA 0.170 62.244 62.100 -0.044 0.000 0.928 108 T CB 0.590 69.450 68.868 -0.013 0.000 1.151 108 T HN 0.363 nan 8.240 nan 0.000 0.644 109 A N 1.629 124.468 122.820 0.032 0.000 1.861 109 A HA 0.053 4.373 4.320 -0.000 0.000 0.212 109 A C 2.326 180.005 177.584 0.158 0.000 1.199 109 A CA 0.582 52.648 52.037 0.048 0.000 0.613 109 A CB -0.451 18.523 19.000 -0.043 0.000 0.846 109 A HN 0.537 nan 8.150 nan 0.000 0.446 110 E N -0.159 120.175 120.200 0.222 0.000 2.082 110 E HA -0.294 4.056 4.350 -0.000 0.000 0.215 110 E C 1.882 178.697 176.600 0.357 0.000 1.048 110 E CA 2.042 58.619 56.400 0.295 0.000 0.869 110 E CB -0.490 29.375 29.700 0.275 0.000 0.773 110 E HN 0.640 nan 8.360 nan 0.000 0.466 111 I N 0.581 121.281 120.570 0.217 0.000 2.091 111 I HA -0.421 3.749 4.170 -0.000 0.000 0.240 111 I C 2.812 179.061 176.117 0.219 0.000 1.046 111 I CA 1.381 62.775 61.300 0.156 0.000 1.306 111 I CB -0.425 37.635 38.000 0.101 0.000 1.018 111 I HN 0.293 nan 8.210 nan 0.000 0.404 112 C N 0.325 119.731 119.300 0.176 0.000 2.403 112 C HA -0.178 4.282 4.460 -0.000 0.000 0.277 112 C C 2.767 177.861 174.990 0.173 0.000 1.248 112 C CA 0.893 60.006 59.018 0.158 0.000 1.762 112 C CB -1.124 26.691 27.740 0.126 0.000 2.014 112 C HN 0.484 nan 8.230 nan 0.000 0.486 113 E N -0.224 120.101 120.200 0.209 0.000 2.106 113 E HA -0.118 4.232 4.350 -0.000 0.000 0.192 113 E C 1.884 178.532 176.600 0.081 0.000 0.984 113 E CA 1.080 57.567 56.400 0.146 0.000 0.806 113 E CB -0.571 29.210 29.700 0.134 0.000 0.750 113 E HN 0.746 nan 8.360 nan 0.000 0.458 114 H N 0.405 119.524 119.070 0.082 0.000 2.253 114 H HA -0.127 4.429 4.556 -0.000 0.000 0.296 114 H C 2.418 177.777 175.328 0.050 0.000 1.074 114 H CA 1.413 57.497 56.048 0.060 0.000 1.263 114 H CB -0.289 29.502 29.762 0.049 0.000 1.363 114 H HN 0.064 nan 8.280 nan 0.000 0.489 115 L N 1.399 122.743 121.223 0.203 0.000 2.034 115 L HA -0.273 4.067 4.340 -0.000 0.000 0.217 115 L C 2.573 179.495 176.870 0.086 0.000 1.077 115 L CA 1.673 56.584 54.840 0.118 0.000 0.769 115 L CB -0.558 41.563 42.059 0.105 0.000 0.890 115 L HN 0.184 nan 8.230 nan 0.000 0.435 116 K N 0.178 120.631 120.400 0.088 0.000 2.020 116 K HA -0.193 4.126 4.320 -0.000 0.000 0.212 116 K C 2.013 178.640 176.600 0.045 0.000 1.050 116 K CA 1.764 58.091 56.287 0.067 0.000 0.929 116 K CB -0.442 32.102 32.500 0.074 0.000 0.714 116 K HN 0.329 nan 8.250 nan 0.000 0.443 117 R N 1.277 121.793 120.500 0.027 0.000 2.343 117 R HA -0.041 4.298 4.340 -0.000 0.000 0.202 117 R C 0.156 176.466 176.300 0.016 0.000 1.023 117 R CA 0.566 56.671 56.100 0.008 0.000 1.084 117 R CB 0.002 30.287 30.300 -0.026 0.000 0.956 117 R HN 0.219 nan 8.270 nan 0.000 0.478 118 D N -0.531 119.886 120.400 0.028 0.000 2.462 118 D HA 0.137 4.777 4.640 -0.000 0.000 0.221 118 D C 0.749 177.057 176.300 0.012 0.000 1.173 118 D CA 0.149 54.161 54.000 0.020 0.000 0.831 118 D CB 0.751 41.566 40.800 0.026 0.000 1.001 118 D HN 0.197 nan 8.370 nan 0.000 0.499 119 G N 1.489 110.301 108.800 0.020 0.000 2.356 119 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.296 119 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.296 119 G C 0.616 175.533 174.900 0.028 0.000 1.022 119 G CA 0.362 45.476 45.100 0.022 0.000 0.961 119 G HN 0.403 nan 8.290 nan 0.000 0.510 120 L N -0.920 120.324 121.223 0.035 0.000 2.628 120 L HA 0.377 4.716 4.340 -0.000 0.000 0.229 120 L C 2.022 178.940 176.870 0.080 0.000 1.137 120 L CA 0.805 55.676 54.840 0.052 0.000 0.909 120 L CB 0.189 42.270 42.059 0.036 0.000 1.137 120 L HN 0.347 nan 8.230 nan 0.000 0.470 121 E N 1.075 121.312 120.200 0.061 0.000 2.070 121 E HA -0.271 4.079 4.350 -0.000 0.000 0.197 121 E C 1.552 178.184 176.600 0.053 0.000 1.004 121 E CA 1.984 58.415 56.400 0.052 0.000 0.805 121 E CB 0.112 29.834 29.700 0.037 0.000 0.744 121 E HN 0.459 nan 8.360 nan 0.000 0.451 122 D N -0.809 119.626 120.400 0.059 0.000 2.117 122 D HA -0.180 4.460 4.640 -0.000 0.000 0.197 122 D C 1.757 178.092 176.300 0.059 0.000 0.987 122 D CA 1.060 55.085 54.000 0.043 0.000 0.829 122 D CB -0.392 40.428 40.800 0.034 0.000 0.961 122 D HN 0.295 nan 8.370 nan 0.000 0.460 123 Y N 2.124 122.409 120.300 -0.025 0.000 2.114 123 Y HA -0.265 4.285 4.550 -0.000 0.000 0.282 123 Y C 2.275 178.158 175.900 -0.028 0.000 1.165 123 Y CA 1.439 59.522 58.100 -0.028 0.000 1.148 123 Y CB -0.187 38.260 38.460 -0.020 0.000 0.972 123 Y HN -0.097 nan 8.280 nan 0.000 0.504 124 I N 0.113 120.780 120.570 0.163 0.000 2.076 124 I HA -0.358 3.812 4.170 -0.000 0.000 0.237 124 I C 2.561 178.642 176.117 -0.060 0.000 1.059 124 I CA 1.905 63.235 61.300 0.051 0.000 1.317 124 I CB -1.451 36.575 38.000 0.043 0.000 1.037 124 I HN 0.232 nan 8.210 nan 0.000 0.398 125 R N 0.743 121.215 120.500 -0.047 0.000 2.119 125 R HA -0.167 4.173 4.340 -0.000 0.000 0.246 125 R C 2.544 178.796 176.300 -0.079 0.000 1.146 125 R CA 2.213 58.272 56.100 -0.068 0.000 0.962 125 R CB -0.019 30.253 30.300 -0.046 0.000 0.863 125 R HN 0.407 nan 8.270 nan 0.000 0.442 126 S N 0.064 115.699 115.700 -0.108 0.000 2.362 126 S HA -0.034 4.436 4.470 -0.000 0.000 0.221 126 S C 1.347 175.852 174.600 -0.158 0.000 1.032 126 S CA 1.376 59.484 58.200 -0.154 0.000 0.973 126 S CB -0.167 62.909 63.200 -0.207 0.000 0.849 126 S HN 0.494 nan 8.310 nan 0.000 0.465 127 N N 0.449 118.991 118.700 -0.263 0.000 2.405 127 N HA 0.034 4.774 4.740 -0.000 0.000 0.175 127 N C 1.401 176.884 175.510 -0.045 0.000 1.051 127 N CA 1.181 54.111 53.050 -0.200 0.000 0.899 127 N CB 0.163 38.309 38.487 -0.569 0.000 1.000 127 N HN 0.402 nan 8.380 nan 0.000 0.451 128 T N -2.978 111.528 114.554 -0.081 0.000 3.034 128 T HA 0.289 4.639 4.350 -0.000 0.000 0.248 128 T C 1.664 176.307 174.700 -0.096 0.000 1.040 128 T CA 0.478 62.535 62.100 -0.071 0.000 1.107 128 T CB 0.289 69.093 68.868 -0.107 0.000 0.932 128 T HN 0.224 nan 8.240 nan 0.000 0.474 129 G N 1.278 110.020 108.800 -0.097 0.000 2.176 129 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.253 129 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.253 129 G C 0.209 175.010 174.900 -0.164 0.000 0.979 129 G CA 0.377 45.418 45.100 -0.099 0.000 0.641 129 G HN 0.484 nan 8.290 nan 0.000 0.530 130 L N -1.415 119.654 121.223 -0.257 0.000 2.926 130 L HA 0.888 5.228 4.340 -0.000 0.000 0.183 130 L C 0.857 177.550 176.870 -0.295 0.000 1.766 130 L CA -0.802 53.772 54.840 -0.443 0.000 2.062 130 L CB 0.586 42.127 42.059 -0.864 0.000 2.755 130 L HN 0.076 nan 8.230 nan 0.000 0.584 131 V N -0.022 119.720 119.914 -0.287 0.000 3.167 131 V HA 0.261 4.381 4.120 -0.000 0.000 0.293 131 V C -1.025 175.108 176.094 0.066 0.000 1.379 131 V CA -0.704 61.517 62.300 -0.132 0.000 1.019 131 V CB 2.797 34.410 31.823 -0.350 0.000 1.115 131 V HN 0.247 nan 8.190 nan 0.000 0.442 132 I N 4.682 125.287 120.570 0.058 0.000 2.452 132 I HA 0.504 4.674 4.170 -0.000 0.000 0.287 132 I C 0.016 176.236 176.117 0.171 0.000 1.079 132 I CA 0.448 61.829 61.300 0.135 0.000 1.387 132 I CB 0.038 38.104 38.000 0.110 0.000 1.404 132 I HN 0.715 nan 8.210 nan 0.000 0.522 133 D N 8.158 128.706 120.400 0.246 0.000 2.738 133 D HA 0.134 4.774 4.640 -0.000 0.000 0.229 133 D C -2.648 173.742 176.300 0.151 0.000 1.200 133 D CA -0.905 53.217 54.000 0.203 0.000 0.746 133 D CB 2.508 43.461 40.800 0.254 0.000 1.597 133 D HN 0.030 nan 8.370 nan 0.000 0.471 134 P HA -0.109 nan 4.420 nan 0.000 0.226 134 P C 1.237 178.550 177.300 0.021 0.000 1.146 134 P CA 0.530 63.645 63.100 0.025 0.000 0.773 134 P CB -0.142 31.527 31.700 -0.052 0.000 0.772 135 Y N 0.910 121.069 120.300 -0.234 0.000 2.081 135 Y HA -0.154 4.395 4.550 -0.000 0.000 0.280 135 Y C 0.727 176.462 175.900 -0.275 0.000 1.163 135 Y CA 0.420 58.302 58.100 -0.363 0.000 1.135 135 Y CB -1.326 36.749 38.460 -0.642 0.000 0.970 135 Y HN -0.183 nan 8.280 nan 0.000 0.498 136 F N 0.294 120.359 119.950 0.192 0.000 2.429 136 F HA 0.193 4.720 4.527 -0.000 0.000 0.348 136 F C 1.833 177.682 175.800 0.082 0.000 1.109 136 F CA 0.025 58.041 58.000 0.028 0.000 1.232 136 F CB 0.301 39.293 39.000 -0.013 0.000 1.157 136 F HN -0.149 nan 8.300 nan 0.000 0.564 137 S N 1.324 117.185 115.700 0.269 0.000 2.387 137 S HA -0.194 4.276 4.470 -0.000 0.000 0.230 137 S C 2.372 177.060 174.600 0.146 0.000 1.035 137 S CA 0.966 59.294 58.200 0.212 0.000 1.014 137 S CB -1.264 62.112 63.200 0.293 0.000 0.836 137 S HN 0.944 nan 8.310 nan 0.000 0.466 138 G N 2.734 111.613 108.800 0.131 0.000 2.732 138 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.222 138 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.222 138 G C 1.694 176.615 174.900 0.036 0.000 1.203 138 G CA 2.597 47.726 45.100 0.048 0.000 0.780 138 G HN 0.718 nan 8.290 nan 0.000 0.621 139 T N -0.913 113.690 114.554 0.082 0.000 2.833 139 T HA 0.000 4.350 4.350 -0.000 0.000 0.269 139 T C 2.179 176.931 174.700 0.087 0.000 1.054 139 T CA 1.701 63.849 62.100 0.080 0.000 1.135 139 T CB -0.163 68.762 68.868 0.095 0.000 0.869 139 T HN 0.392 nan 8.240 nan 0.000 0.466 140 K N 0.990 121.428 120.400 0.064 0.000 2.002 140 K HA 0.003 4.323 4.320 -0.000 0.000 0.209 140 K C 2.405 179.056 176.600 0.086 0.000 1.048 140 K CA 1.342 57.648 56.287 0.032 0.000 0.930 140 K CB -0.833 31.674 32.500 0.010 0.000 0.714 140 K HN 0.214 nan 8.250 nan 0.000 0.438 141 V N 1.932 121.885 119.914 0.066 0.000 2.231 141 V HA -0.389 3.730 4.120 -0.000 0.000 0.250 141 V C 2.337 178.439 176.094 0.015 0.000 1.058 141 V CA 2.357 64.669 62.300 0.020 0.000 1.022 141 V CB -0.693 31.046 31.823 -0.140 0.000 0.640 141 V HN 0.393 nan 8.190 nan 0.000 0.445 142 K N -0.698 119.703 120.400 0.001 0.000 2.000 142 K HA -0.327 3.993 4.320 -0.000 0.000 0.218 142 K C 2.003 178.626 176.600 0.038 0.000 1.053 142 K CA 2.635 58.918 56.287 -0.007 0.000 0.946 142 K CB -0.641 31.855 32.500 -0.006 0.000 0.723 142 K HN 0.518 nan 8.250 nan 0.000 0.446 143 W N 1.052 122.313 121.300 -0.065 0.000 2.290 143 W HA -0.318 4.341 4.660 -0.000 0.000 0.318 143 W C 1.625 178.131 176.519 -0.022 0.000 1.248 143 W CA 2.449 59.769 57.345 -0.042 0.000 1.263 143 W CB -0.295 29.048 29.460 -0.195 0.000 1.147 143 W HN 0.208 nan 8.180 nan 0.000 0.494 144 I N -0.345 120.381 120.570 0.260 0.000 2.113 144 I HA -0.334 3.836 4.170 -0.000 0.000 0.238 144 I C 2.356 178.449 176.117 -0.040 0.000 1.070 144 I CA 1.063 62.424 61.300 0.103 0.000 1.332 144 I CB -1.426 36.622 38.000 0.080 0.000 1.044 144 I HN -0.056 nan 8.210 nan 0.000 0.402 145 L N 0.759 121.956 121.223 -0.044 0.000 2.011 145 L HA -0.310 4.030 4.340 -0.000 0.000 0.225 145 L C 2.048 178.828 176.870 -0.150 0.000 1.084 145 L CA 2.100 56.885 54.840 -0.090 0.000 0.791 145 L CB -1.543 40.455 42.059 -0.102 0.000 0.898 145 L HN 0.407 nan 8.230 nan 0.000 0.440 146 D N -2.452 117.822 120.400 -0.210 0.000 2.378 146 D HA -0.129 4.511 4.640 -0.000 0.000 0.222 146 D C 1.743 177.701 176.300 -0.571 0.000 0.980 146 D CA 0.743 54.533 54.000 -0.349 0.000 0.907 146 D CB -0.341 40.211 40.800 -0.413 0.000 0.899 146 D HN 0.539 nan 8.370 nan 0.000 0.527 147 H N -0.488 118.301 119.070 -0.467 0.000 2.652 147 H HA 0.232 4.788 4.556 -0.000 0.000 0.274 147 H C 0.073 175.259 175.328 -0.237 0.000 1.021 147 H CA 0.024 55.767 56.048 -0.509 0.000 1.187 147 H CB 1.386 30.533 29.762 -1.025 0.000 1.505 147 H HN -0.033 nan 8.280 nan 0.000 0.530 148 V N 0.737 120.604 119.914 -0.079 0.000 2.769 148 V HA 0.090 4.210 4.120 -0.000 0.000 0.312 148 V C 1.103 177.169 176.094 -0.046 0.000 1.058 148 V CA -0.699 61.596 62.300 -0.009 0.000 0.952 148 V CB 2.807 34.651 31.823 0.036 0.000 1.019 148 V HN 0.028 nan 8.190 nan 0.000 0.445 149 E N 3.184 123.370 120.200 -0.023 0.000 1.987 149 E HA -0.086 4.264 4.350 -0.000 0.000 0.200 149 E C 2.089 178.665 176.600 -0.041 0.000 0.990 149 E CA 1.891 58.270 56.400 -0.035 0.000 0.859 149 E CB -0.838 28.853 29.700 -0.016 0.000 0.805 149 E HN 0.891 nan 8.360 nan 0.000 0.499 150 G N 0.545 109.328 108.800 -0.028 0.000 2.422 150 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 150 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 150 G C 1.445 176.318 174.900 -0.045 0.000 1.140 150 G CA 2.253 47.333 45.100 -0.034 0.000 0.775 150 G HN 0.366 nan 8.290 nan 0.000 0.545 151 S N 1.218 116.893 115.700 -0.042 0.000 2.498 151 S HA -0.486 3.984 4.470 -0.000 0.000 0.391 151 S C 2.049 176.608 174.600 -0.068 0.000 1.216 151 S CA 2.071 60.240 58.200 -0.052 0.000 1.870 151 S CB -0.926 62.243 63.200 -0.052 0.000 1.585 151 S HN 0.537 nan 8.310 nan 0.000 0.491 152 R N 1.905 122.360 120.500 -0.076 0.000 2.105 152 R HA -0.101 4.239 4.340 -0.000 0.000 0.239 152 R C 2.552 178.809 176.300 -0.071 0.000 1.135 152 R CA 1.584 57.635 56.100 -0.081 0.000 0.967 152 R CB -0.525 29.724 30.300 -0.085 0.000 0.861 152 R HN 0.757 nan 8.270 nan 0.000 0.442 153 E N 1.275 121.440 120.200 -0.059 0.000 1.997 153 E HA -0.227 4.123 4.350 -0.000 0.000 0.201 153 E C 1.915 178.483 176.600 -0.053 0.000 1.011 153 E CA 1.217 57.586 56.400 -0.051 0.000 0.847 153 E CB -0.619 29.058 29.700 -0.040 0.000 0.787 153 E HN 0.406 nan 8.360 nan 0.000 0.472 154 R N 1.632 122.103 120.500 -0.049 0.000 2.159 154 R HA -0.225 4.115 4.340 -0.000 0.000 0.252 154 R C 2.493 178.750 176.300 -0.072 0.000 1.144 154 R CA 1.788 57.857 56.100 -0.052 0.000 0.961 154 R CB -1.270 29.002 30.300 -0.046 0.000 0.877 154 R HN 0.256 nan 8.270 nan 0.000 0.444 155 A N 1.907 124.676 122.820 -0.085 0.000 1.884 155 A HA -0.289 4.031 4.320 -0.000 0.000 0.219 155 A C 2.369 179.893 177.584 -0.100 0.000 1.197 155 A CA 2.159 54.130 52.037 -0.110 0.000 0.637 155 A CB -0.642 18.289 19.000 -0.114 0.000 0.827 155 A HN 0.393 nan 8.150 nan 0.000 0.450 156 R N 0.499 120.950 120.500 -0.082 0.000 2.096 156 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 156 R C 1.597 177.864 176.300 -0.054 0.000 1.127 156 R CA 1.685 57.744 56.100 -0.069 0.000 0.968 156 R CB -0.238 30.025 30.300 -0.061 0.000 0.861 156 R HN 0.619 nan 8.270 nan 0.000 0.440 157 R N -0.525 119.946 120.500 -0.049 0.000 2.752 157 R HA 0.250 4.590 4.340 -0.000 0.000 0.279 157 R C 0.533 176.811 176.300 -0.037 0.000 1.212 157 R CA 0.519 56.597 56.100 -0.036 0.000 1.169 157 R CB -0.114 30.170 30.300 -0.027 0.000 1.286 157 R HN 0.346 nan 8.270 nan 0.000 0.564 158 G N 1.730 110.498 108.800 -0.053 0.000 2.200 158 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.267 158 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.267 158 G C 0.718 175.573 174.900 -0.074 0.000 0.993 158 G CA 1.004 46.068 45.100 -0.061 0.000 0.701 158 G HN 0.540 nan 8.290 nan 0.000 0.524 159 E N -0.973 119.183 120.200 -0.072 0.000 2.153 159 E HA 0.138 4.488 4.350 -0.000 0.000 0.194 159 E C 1.284 177.814 176.600 -0.116 0.000 0.988 159 E CA 0.675 57.036 56.400 -0.065 0.000 0.811 159 E CB -0.007 29.665 29.700 -0.048 0.000 0.746 159 E HN 0.637 nan 8.360 nan 0.000 0.466 160 L N 0.627 121.746 121.223 -0.175 0.000 2.342 160 L HA 0.471 4.811 4.340 -0.000 0.000 0.271 160 L C -0.727 175.889 176.870 -0.423 0.000 1.008 160 L CA -0.811 53.859 54.840 -0.282 0.000 0.818 160 L CB 1.729 43.663 42.059 -0.208 0.000 1.296 160 L HN -0.015 nan 8.230 nan 0.000 0.427 161 L N 2.183 122.950 121.223 -0.761 0.000 2.365 161 L HA 0.529 4.869 4.340 -0.000 0.000 0.273 161 L C -1.200 174.969 176.870 -1.170 0.000 1.000 161 L CA -0.508 53.652 54.840 -1.133 0.000 0.819 161 L CB 2.303 43.264 42.059 -1.831 0.000 1.284 161 L HN 0.405 nan 8.230 nan 0.000 0.418 162 F N 2.629 122.127 119.950 -0.752 0.000 2.520 162 F HA 0.896 5.423 4.527 -0.000 0.000 0.322 162 F C -0.152 175.637 175.800 -0.017 0.000 1.103 162 F CA -0.376 57.384 58.000 -0.399 0.000 0.926 162 F CB 1.917 40.792 39.000 -0.209 0.000 1.154 162 F HN 0.379 nan 8.300 nan 0.000 0.453 163 G N 2.271 110.600 108.800 -0.785 0.000 2.623 163 G HA2 0.485 4.445 3.960 -0.000 0.000 0.290 163 G HA3 0.485 4.445 3.960 -0.000 0.000 0.290 163 G C -1.260 173.239 174.900 -0.668 0.000 1.437 163 G CA -0.422 44.170 45.100 -0.847 0.000 0.798 163 G HN 0.840 nan 8.290 nan 0.000 0.488 164 T N -1.378 112.921 114.554 -0.424 0.000 2.770 164 T HA 0.460 4.809 4.350 -0.000 0.000 0.281 164 T C 1.936 176.619 174.700 -0.029 0.000 0.981 164 T CA 0.129 62.132 62.100 -0.161 0.000 0.955 164 T CB 1.002 69.820 68.868 -0.083 0.000 1.060 164 T HN 0.880 nan 8.240 nan 0.000 0.531 165 V N 1.448 121.379 119.914 0.028 0.000 2.217 165 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 165 V C 2.678 178.847 176.094 0.125 0.000 1.050 165 V CA 2.318 64.688 62.300 0.116 0.000 1.007 165 V CB -1.577 30.315 31.823 0.116 0.000 0.639 165 V HN 1.048 nan 8.190 nan 0.000 0.452 166 D N 0.874 121.301 120.400 0.046 0.000 2.421 166 D HA -0.330 4.310 4.640 -0.000 0.000 0.195 166 D C 1.885 178.196 176.300 0.018 0.000 1.022 166 D CA 2.794 56.794 54.000 0.001 0.000 0.871 166 D CB -1.566 39.194 40.800 -0.067 0.000 1.026 166 D HN 0.448 nan 8.370 nan 0.000 0.462 167 T N -0.370 114.193 114.554 0.014 0.000 2.684 167 T HA -0.254 4.096 4.350 -0.000 0.000 0.267 167 T C 1.416 176.224 174.700 0.179 0.000 1.032 167 T CA 1.946 64.096 62.100 0.083 0.000 1.155 167 T CB -0.774 68.135 68.868 0.067 0.000 0.857 167 T HN 0.484 nan 8.240 nan 0.000 0.457 168 W N 1.209 122.434 121.300 -0.125 0.000 2.467 168 W HA -0.060 4.600 4.660 -0.000 0.000 0.275 168 W C 1.271 177.616 176.519 -0.289 0.000 1.239 168 W CA 0.220 57.356 57.345 -0.349 0.000 1.266 168 W CB -0.195 29.014 29.460 -0.418 0.000 1.112 168 W HN 0.151 nan 8.180 nan 0.000 0.576 169 L N 0.961 122.076 121.223 -0.180 0.000 1.988 169 L HA -0.203 4.136 4.340 -0.000 0.000 0.207 169 L C 2.538 179.251 176.870 -0.262 0.000 1.071 169 L CA 1.478 56.151 54.840 -0.279 0.000 0.744 169 L CB -1.750 40.283 42.059 -0.044 0.000 0.893 169 L HN -0.064 nan 8.230 nan 0.000 0.433 170 I N -1.006 119.502 120.570 -0.102 0.000 2.091 170 I HA -0.366 3.804 4.170 -0.000 0.000 0.240 170 I C 2.424 178.507 176.117 -0.057 0.000 1.046 170 I CA 1.834 63.102 61.300 -0.052 0.000 1.306 170 I CB -0.490 37.500 38.000 -0.016 0.000 1.018 170 I HN 0.289 nan 8.210 nan 0.000 0.404 171 W N 1.707 122.872 121.300 -0.225 0.000 2.290 171 W HA -0.359 4.301 4.660 -0.000 0.000 0.328 171 W C 2.615 178.855 176.519 -0.465 0.000 1.272 171 W CA 2.258 59.446 57.345 -0.261 0.000 1.262 171 W CB -0.300 28.996 29.460 -0.273 0.000 1.151 171 W HN -0.029 nan 8.180 nan 0.000 0.473 172 K N -0.591 119.477 120.400 -0.554 0.000 1.991 172 K HA -0.209 4.111 4.320 -0.000 0.000 0.212 172 K C 1.926 178.184 176.600 -0.570 0.000 1.049 172 K CA 2.122 57.816 56.287 -0.989 0.000 0.932 172 K CB -1.544 29.592 32.500 -2.273 0.000 0.717 172 K HN 0.271 nan 8.250 nan 0.000 0.441 173 M N 0.896 120.286 119.600 -0.350 0.000 2.204 173 M HA -0.169 4.311 4.480 -0.000 0.000 0.255 173 M C 1.783 178.000 176.300 -0.138 0.000 1.073 173 M CA 2.371 57.605 55.300 -0.110 0.000 1.084 173 M CB -2.010 30.563 32.600 -0.046 0.000 1.289 173 M HN 0.310 nan 8.290 nan 0.000 0.419 174 T N -0.963 113.477 114.554 -0.190 0.000 3.285 174 T HA 0.255 4.604 4.350 -0.000 0.000 0.232 174 T C 0.630 175.136 174.700 -0.322 0.000 0.973 174 T CA -0.342 61.644 62.100 -0.189 0.000 1.023 174 T CB -0.290 68.508 68.868 -0.116 0.000 1.158 174 T HN 0.450 nan 8.240 nan 0.000 0.590 175 Q N 0.340 119.923 119.800 -0.362 0.000 2.241 175 Q HA -0.328 4.011 4.340 -0.000 0.000 0.227 175 Q C 1.248 176.801 176.000 -0.745 0.000 0.921 175 Q CA 1.370 56.895 55.803 -0.462 0.000 1.197 175 Q CB -1.962 26.608 28.738 -0.279 0.000 1.820 175 Q HN 1.211 nan 8.270 nan 0.000 0.571 176 G N -0.964 107.225 108.800 -1.019 0.000 2.227 176 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.168 176 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.168 176 G C 0.708 175.259 174.900 -0.582 0.000 1.006 176 G CA 0.116 44.396 45.100 -1.367 0.000 0.684 176 G HN 0.303 nan 8.290 nan 0.000 0.489 177 R N -0.441 119.840 120.500 -0.364 0.000 2.075 177 R HA 0.256 4.596 4.340 -0.000 0.000 0.232 177 R C 0.779 177.071 176.300 -0.014 0.000 1.126 177 R CA 1.677 57.696 56.100 -0.136 0.000 0.963 177 R CB 0.069 30.311 30.300 -0.096 0.000 0.858 177 R HN 0.336 nan 8.270 nan 0.000 0.435 178 V N 0.052 119.976 119.914 0.016 0.000 2.680 178 V HA 0.181 4.301 4.120 -0.000 0.000 0.309 178 V C -1.077 175.223 176.094 0.344 0.000 1.052 178 V CA -0.905 61.485 62.300 0.149 0.000 0.908 178 V CB 1.679 33.563 31.823 0.103 0.000 1.001 178 V HN 0.179 nan 8.190 nan 0.000 0.431 179 H N 2.666 121.879 119.070 0.240 0.000 2.348 179 H HA 0.721 5.277 4.556 -0.000 0.000 0.232 179 H C -0.926 174.522 175.328 0.199 0.000 1.419 179 H CA -0.111 56.115 56.048 0.297 0.000 1.416 179 H CB 1.022 30.982 29.762 0.329 0.000 1.510 179 H HN 0.517 nan 8.280 nan 0.000 0.507 180 V N 2.226 122.158 119.914 0.030 0.000 3.164 180 V HA 0.822 4.941 4.120 -0.000 0.000 0.313 180 V C -0.803 175.206 176.094 -0.143 0.000 1.188 180 V CA -0.194 62.061 62.300 -0.076 0.000 1.058 180 V CB 2.376 34.171 31.823 -0.047 0.000 1.110 180 V HN 0.630 nan 8.190 nan 0.000 0.453 181 T N 0.704 115.148 114.554 -0.183 0.000 2.769 181 T HA 0.383 4.733 4.350 -0.000 0.000 0.306 181 T C -1.933 172.573 174.700 -0.323 0.000 1.400 181 T CA -0.155 61.809 62.100 -0.226 0.000 1.007 181 T CB 1.547 70.344 68.868 -0.119 0.000 1.392 181 T HN 1.096 nan 8.240 nan 0.000 0.500 182 D N 0.051 120.246 120.400 -0.343 0.000 2.549 182 D HA 0.256 4.896 4.640 -0.000 0.000 0.270 182 D C 0.575 176.635 176.300 -0.401 0.000 1.181 182 D CA -0.374 53.362 54.000 -0.438 0.000 1.070 182 D CB 0.464 41.058 40.800 -0.344 0.000 1.154 182 D HN 0.423 nan 8.370 nan 0.000 0.602 183 Y N 0.143 120.300 120.300 -0.238 0.000 2.133 183 Y HA -0.190 4.359 4.550 -0.000 0.000 0.287 183 Y C 2.899 178.567 175.900 -0.387 0.000 1.134 183 Y CA 1.960 59.848 58.100 -0.353 0.000 1.133 183 Y CB -1.573 36.770 38.460 -0.195 0.000 0.987 183 Y HN 0.606 nan 8.280 nan 0.000 0.502 184 T N -1.172 113.332 114.554 -0.082 0.000 2.564 184 T HA -0.363 3.986 4.350 -0.000 0.000 0.264 184 T C 1.710 176.320 174.700 -0.151 0.000 1.100 184 T CA 2.172 64.205 62.100 -0.111 0.000 1.171 184 T CB -1.202 67.602 68.868 -0.107 0.000 0.863 184 T HN 0.461 nan 8.240 nan 0.000 0.430 185 N N 1.874 120.479 118.700 -0.159 0.000 2.069 185 N HA -0.019 4.721 4.740 -0.000 0.000 0.191 185 N C 2.427 177.840 175.510 -0.161 0.000 1.031 185 N CA 1.061 54.029 53.050 -0.137 0.000 0.852 185 N CB -0.474 37.938 38.487 -0.126 0.000 1.018 185 N HN 0.592 nan 8.380 nan 0.000 0.423 186 A N 0.933 123.576 122.820 -0.296 0.000 1.859 186 A HA -0.281 4.039 4.320 -0.000 0.000 0.217 186 A C 2.221 179.529 177.584 -0.461 0.000 1.198 186 A CA 2.266 54.009 52.037 -0.490 0.000 0.629 186 A CB -1.415 16.913 19.000 -1.120 0.000 0.830 186 A HN 0.377 nan 8.150 nan 0.000 0.446 187 S N -0.212 115.169 115.700 -0.531 0.000 2.427 187 S HA -0.389 4.081 4.470 -0.000 0.000 0.261 187 S C 2.096 176.639 174.600 -0.096 0.000 1.091 187 S CA 2.226 60.294 58.200 -0.221 0.000 1.251 187 S CB -0.643 62.476 63.200 -0.136 0.000 1.160 187 S HN 0.556 nan 8.310 nan 0.000 0.436 188 R N 1.096 121.542 120.500 -0.089 0.000 2.295 188 R HA -0.144 4.196 4.340 -0.000 0.000 0.265 188 R C 2.532 178.870 176.300 0.062 0.000 1.203 188 R CA 1.853 57.935 56.100 -0.031 0.000 1.023 188 R CB -2.249 28.033 30.300 -0.031 0.000 0.880 188 R HN 0.934 nan 8.270 nan 0.000 0.481 189 T N -2.960 111.657 114.554 0.105 0.000 2.915 189 T HA -0.070 4.280 4.350 -0.000 0.000 0.269 189 T C 1.443 176.235 174.700 0.153 0.000 1.071 189 T CA 1.038 63.258 62.100 0.201 0.000 1.132 189 T CB -0.057 68.997 68.868 0.311 0.000 0.878 189 T HN 0.362 nan 8.240 nan 0.000 0.479 190 M N -0.430 119.205 119.600 0.059 0.000 2.965 190 M HA -0.156 4.324 4.480 -0.000 0.000 0.213 190 M C -0.884 175.480 176.300 0.107 0.000 0.564 190 M CA 0.518 55.818 55.300 -0.000 0.000 0.784 190 M CB -1.364 31.232 32.600 -0.006 0.000 2.816 190 M HN 0.472 nan 8.290 nan 0.000 0.409 191 L N -1.041 120.309 121.223 0.211 0.000 3.431 191 L HA 0.521 4.861 4.340 -0.000 0.000 0.316 191 L C -0.484 176.669 176.870 0.472 0.000 1.305 191 L CA -0.267 54.742 54.840 0.281 0.000 0.995 191 L CB 0.560 42.752 42.059 0.221 0.000 1.411 191 L HN 0.276 nan 8.230 nan 0.000 0.610 192 F N 0.910 120.943 119.950 0.139 0.000 2.585 192 F HA 0.504 5.031 4.527 -0.000 0.000 0.319 192 F C -0.384 175.397 175.800 -0.032 0.000 1.165 192 F CA -0.837 57.192 58.000 0.048 0.000 0.949 192 F CB 1.242 40.210 39.000 -0.053 0.000 1.218 192 F HN 0.043 nan 8.300 nan 0.000 0.453 193 N N 5.765 124.264 118.700 -0.334 0.000 2.513 193 N HA 0.113 4.853 4.740 -0.000 0.000 0.268 193 N C 0.791 176.071 175.510 -0.382 0.000 1.180 193 N CA 0.123 53.026 53.050 -0.245 0.000 0.948 193 N CB 0.973 39.354 38.487 -0.176 0.000 1.083 193 N HN 0.847 nan 8.380 nan 0.000 0.455 194 I N 0.616 121.082 120.570 -0.172 0.000 3.883 194 I HA 0.177 4.347 4.170 -0.000 0.000 0.326 194 I C 0.468 176.297 176.117 -0.480 0.000 1.283 194 I CA -0.039 61.110 61.300 -0.251 0.000 1.161 194 I CB -0.142 37.764 38.000 -0.158 0.000 1.012 194 I HN 0.398 nan 8.210 nan 0.000 0.421 195 H N -0.313 118.664 119.070 -0.155 0.000 2.553 195 H HA 0.132 4.688 4.556 -0.000 0.000 0.276 195 H C 2.107 177.345 175.328 -0.151 0.000 0.979 195 H CA 1.109 57.090 56.048 -0.112 0.000 1.268 195 H CB -0.009 29.678 29.762 -0.124 0.000 1.450 195 H HN 0.139 nan 8.280 nan 0.000 0.527 196 T N 1.530 116.012 114.554 -0.121 0.000 3.113 196 T HA 0.008 4.358 4.350 -0.000 0.000 0.263 196 T C 0.069 174.549 174.700 -0.367 0.000 1.143 196 T CA 0.088 62.054 62.100 -0.223 0.000 1.090 196 T CB -0.342 68.399 68.868 -0.212 0.000 0.922 196 T HN 0.155 nan 8.240 nan 0.000 0.521 197 L N 2.150 123.054 121.223 -0.532 0.000 3.833 197 L HA -0.152 4.188 4.340 -0.000 0.000 0.447 197 L C -0.179 176.175 176.870 -0.860 0.000 1.213 197 L CA 0.962 55.366 54.840 -0.727 0.000 0.801 197 L CB -2.604 39.162 42.059 -0.489 0.000 1.676 197 L HN 0.449 nan 8.230 nan 0.000 0.883 198 D N -2.400 117.256 120.400 -1.239 0.000 2.671 198 D HA 0.455 5.094 4.640 -0.000 0.000 0.273 198 D C -0.174 175.719 176.300 -0.679 0.000 1.264 198 D CA -0.462 53.077 54.000 -0.769 0.000 0.788 198 D CB 0.596 41.217 40.800 -0.300 0.000 1.324 198 D HN 0.032 nan 8.370 nan 0.000 0.424 199 W N 0.763 122.033 121.300 -0.051 0.000 2.131 199 W HA 0.215 4.875 4.660 -0.000 0.000 0.357 199 W C 0.674 177.173 176.519 -0.034 0.000 1.312 199 W CA 0.301 57.671 57.345 0.041 0.000 1.334 199 W CB 0.266 29.773 29.460 0.079 0.000 1.238 199 W HN 0.124 nan 8.180 nan 0.000 0.626 200 D N -0.103 120.480 120.400 0.306 0.000 2.736 200 D HA 0.085 4.725 4.640 -0.000 0.000 0.243 200 D C -0.190 176.205 176.300 0.157 0.000 1.304 200 D CA -0.401 53.704 54.000 0.175 0.000 0.934 200 D CB 1.249 42.136 40.800 0.144 0.000 1.382 200 D HN 0.436 nan 8.370 nan 0.000 0.571 201 D N 2.939 123.408 120.400 0.114 0.000 2.104 201 D HA -0.200 4.440 4.640 -0.000 0.000 0.194 201 D C 1.793 178.108 176.300 0.025 0.000 0.994 201 D CA 0.807 54.842 54.000 0.058 0.000 0.830 201 D CB 0.303 41.129 40.800 0.042 0.000 0.959 201 D HN 0.282 nan 8.370 nan 0.000 0.452 202 K N 0.114 120.532 120.400 0.030 0.000 2.030 202 K HA -0.229 4.091 4.320 -0.000 0.000 0.222 202 K C 2.056 178.617 176.600 -0.065 0.000 1.056 202 K CA 1.429 57.663 56.287 -0.088 0.000 0.957 202 K CB -0.365 31.970 32.500 -0.274 0.000 0.727 202 K HN 0.170 nan 8.250 nan 0.000 0.452 203 M N 0.742 120.359 119.600 0.028 0.000 2.082 203 M HA -0.191 4.289 4.480 -0.000 0.000 0.258 203 M C 2.489 178.788 176.300 -0.001 0.000 1.071 203 M CA 1.464 56.791 55.300 0.045 0.000 1.103 203 M CB -1.340 31.341 32.600 0.135 0.000 1.307 203 M HN 0.182 nan 8.290 nan 0.000 0.409 204 L N -0.015 121.212 121.223 0.007 0.000 2.064 204 L HA -0.293 4.047 4.340 -0.000 0.000 0.216 204 L C 2.622 179.454 176.870 -0.063 0.000 1.077 204 L CA 2.176 56.989 54.840 -0.045 0.000 0.766 204 L CB -0.737 41.301 42.059 -0.034 0.000 0.890 204 L HN 0.512 nan 8.230 nan 0.000 0.435 205 E N -0.699 119.471 120.200 -0.050 0.000 2.057 205 E HA -0.138 4.212 4.350 -0.000 0.000 0.190 205 E C 2.254 178.817 176.600 -0.061 0.000 0.969 205 E CA 0.932 57.297 56.400 -0.059 0.000 0.812 205 E CB -0.578 29.090 29.700 -0.053 0.000 0.777 205 E HN 0.152 nan 8.360 nan 0.000 0.455 206 V N 1.856 121.732 119.914 -0.063 0.000 2.252 206 V HA -0.298 3.822 4.120 -0.000 0.000 0.255 206 V C 2.453 178.519 176.094 -0.048 0.000 1.071 206 V CA 2.114 64.379 62.300 -0.058 0.000 1.050 206 V CB -0.352 31.431 31.823 -0.067 0.000 0.654 206 V HN 0.357 nan 8.190 nan 0.000 0.448 207 L N -0.827 120.368 121.223 -0.047 0.000 2.492 207 L HA 0.110 4.450 4.340 -0.000 0.000 0.223 207 L C 0.920 177.746 176.870 -0.074 0.000 1.132 207 L CA 0.746 55.556 54.840 -0.051 0.000 0.850 207 L CB -0.370 41.661 42.059 -0.046 0.000 0.966 207 L HN 0.438 nan 8.230 nan 0.000 0.454 208 D N 0.863 121.215 120.400 -0.079 0.000 2.760 208 D HA -0.184 4.456 4.640 -0.000 0.000 0.244 208 D C -0.742 175.491 176.300 -0.112 0.000 1.123 208 D CA 0.482 54.429 54.000 -0.089 0.000 0.719 208 D CB -0.825 39.924 40.800 -0.084 0.000 1.045 208 D HN 0.065 nan 8.370 nan 0.000 0.426 209 I N 1.518 122.008 120.570 -0.134 0.000 2.433 209 I HA 0.418 4.588 4.170 -0.000 0.000 0.292 209 I C -1.946 174.063 176.117 -0.180 0.000 1.001 209 I CA -1.940 59.250 61.300 -0.184 0.000 1.119 209 I CB 1.884 39.729 38.000 -0.259 0.000 1.289 209 I HN -0.108 nan 8.210 nan 0.000 0.438 210 P HA 0.244 nan 4.420 nan 0.000 0.282 210 P C 0.513 177.700 177.300 -0.189 0.000 1.274 210 P CA -0.518 62.492 63.100 -0.151 0.000 0.770 210 P CB 0.807 32.433 31.700 -0.124 0.000 0.867 211 R N 2.178 122.577 120.500 -0.167 0.000 2.261 211 R HA -0.204 4.135 4.340 -0.000 0.000 0.236 211 R C 0.963 177.172 176.300 -0.152 0.000 1.141 211 R CA 1.453 57.437 56.100 -0.193 0.000 1.001 211 R CB 0.011 30.253 30.300 -0.098 0.000 0.866 211 R HN 0.484 nan 8.270 nan 0.000 0.468 212 E N 0.234 120.367 120.200 -0.111 0.000 2.058 212 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 212 E C 1.835 178.391 176.600 -0.073 0.000 0.997 212 E CA 1.852 58.208 56.400 -0.073 0.000 0.801 212 E CB -0.155 29.501 29.700 -0.074 0.000 0.746 212 E HN 0.424 nan 8.360 nan 0.000 0.450 213 M N -0.441 119.085 119.600 -0.124 0.000 2.561 213 M HA 0.148 4.628 4.480 -0.000 0.000 0.238 213 M C -0.225 176.110 176.300 0.058 0.000 1.131 213 M CA 0.050 55.286 55.300 -0.106 0.000 1.046 213 M CB 0.119 32.614 32.600 -0.176 0.000 1.532 213 M HN -0.089 nan 8.290 nan 0.000 0.497 214 L N 2.870 124.042 121.223 -0.085 0.000 2.476 214 L HA 0.394 4.734 4.340 -0.000 0.000 0.264 214 L C -2.290 174.667 176.870 0.145 0.000 1.224 214 L CA -1.283 53.460 54.840 -0.162 0.000 0.821 214 L CB -0.120 41.424 42.059 -0.859 0.000 1.101 214 L HN 0.106 nan 8.230 nan 0.000 0.488 215 P HA 0.254 nan 4.420 nan 0.000 0.305 215 P C -1.492 175.946 177.300 0.231 0.000 1.390 215 P CA -0.975 61.976 63.100 -0.250 0.000 1.054 215 P CB 1.237 32.397 31.700 -0.900 0.000 1.335 216 E N 1.263 121.543 120.200 0.133 0.000 2.585 216 E HA 0.095 4.444 4.350 -0.000 0.000 0.252 216 E C -0.695 175.957 176.600 0.087 0.000 0.981 216 E CA 0.145 56.642 56.400 0.163 0.000 0.943 216 E CB 0.170 29.944 29.700 0.123 0.000 0.923 216 E HN 0.079 nan 8.360 nan 0.000 0.486 217 V N 6.776 126.735 119.914 0.076 0.000 2.432 217 V HA 0.363 4.483 4.120 -0.000 0.000 0.275 217 V C 0.560 176.599 176.094 -0.092 0.000 1.043 217 V CA -0.343 61.940 62.300 -0.029 0.000 0.925 217 V CB 1.018 32.843 31.823 0.004 0.000 0.985 217 V HN 0.670 nan 8.190 nan 0.000 0.466 218 R N 2.967 123.251 120.500 -0.360 0.000 2.950 218 R HA 0.566 4.906 4.340 -0.000 0.000 0.253 218 R C -0.231 175.547 176.300 -0.870 0.000 1.168 218 R CA -1.097 54.756 56.100 -0.413 0.000 1.014 218 R CB 1.829 32.095 30.300 -0.058 0.000 1.228 218 R HN 0.774 nan 8.270 nan 0.000 0.487 219 R N -0.081 120.158 120.500 -0.433 0.000 2.539 219 R HA 0.160 4.500 4.340 -0.000 0.000 0.275 219 R C 0.160 176.391 176.300 -0.115 0.000 1.077 219 R CA 0.054 55.958 56.100 -0.327 0.000 1.097 219 R CB 0.750 31.011 30.300 -0.066 0.000 1.018 219 R HN 0.538 nan 8.270 nan 0.000 0.483 220 S N 1.290 116.910 115.700 -0.133 0.000 2.400 220 S HA -0.128 4.341 4.470 -0.000 0.000 0.232 220 S C 0.862 175.486 174.600 0.040 0.000 1.025 220 S CA 1.422 59.578 58.200 -0.074 0.000 0.993 220 S CB -0.041 63.069 63.200 -0.150 0.000 0.808 220 S HN 0.645 nan 8.310 nan 0.000 0.478 221 S N 1.220 116.911 115.700 -0.015 0.000 2.406 221 S HA 0.438 4.908 4.470 -0.000 0.000 0.224 221 S C -0.675 173.841 174.600 -0.140 0.000 1.426 221 S CA -0.716 57.453 58.200 -0.052 0.000 1.179 221 S CB 0.020 63.182 63.200 -0.062 0.000 1.042 221 S HN 0.511 nan 8.310 nan 0.000 0.479 222 E N 2.331 122.293 120.200 -0.397 0.000 2.416 222 E HA 0.405 4.754 4.350 -0.000 0.000 0.280 222 E C -1.770 174.175 176.600 -1.092 0.000 1.055 222 E CA -0.917 55.142 56.400 -0.568 0.000 0.825 222 E CB 1.195 30.695 29.700 -0.334 0.000 1.312 222 E HN 0.253 nan 8.360 nan 0.000 0.452 223 V N 3.756 123.301 119.914 -0.616 0.000 2.334 223 V HA 0.149 4.269 4.120 -0.000 0.000 0.267 223 V C -0.097 175.794 176.094 -0.339 0.000 1.040 223 V CA -0.306 61.698 62.300 -0.493 0.000 0.866 223 V CB -0.158 31.545 31.823 -0.200 0.000 1.019 223 V HN 0.633 nan 8.190 nan 0.000 0.468 224 Y N 3.538 123.833 120.300 -0.009 0.000 2.314 224 Y HA 0.463 5.013 4.550 -0.000 0.000 0.294 224 Y C 1.567 177.467 175.900 0.001 0.000 1.119 224 Y CA 0.647 58.743 58.100 -0.007 0.000 1.179 224 Y CB -0.096 38.355 38.460 -0.015 0.000 1.025 224 Y HN 0.725 nan 8.280 nan 0.000 0.541 225 G N -1.236 107.640 108.800 0.127 0.000 2.348 225 G HA2 0.433 4.393 3.960 -0.000 0.000 0.296 225 G HA3 0.433 4.393 3.960 -0.000 0.000 0.296 225 G C -1.792 173.133 174.900 0.043 0.000 1.258 225 G CA -1.017 44.125 45.100 0.070 0.000 0.868 225 G HN -0.099 nan 8.290 nan 0.000 0.488 226 Q N -0.414 119.400 119.800 0.023 0.000 2.423 226 Q HA 0.609 4.949 4.340 -0.000 0.000 0.278 226 Q C -1.350 174.652 176.000 0.004 0.000 1.097 226 Q CA -0.875 54.937 55.803 0.015 0.000 0.809 226 Q CB 2.532 31.274 28.738 0.008 0.000 1.391 226 Q HN 0.597 nan 8.270 nan 0.000 0.428 227 T N -0.468 114.091 114.554 0.008 0.000 2.770 227 T HA 0.287 4.637 4.350 -0.000 0.000 0.283 227 T C 0.037 174.736 174.700 -0.000 0.000 0.988 227 T CA -0.727 61.374 62.100 0.000 0.000 0.957 227 T CB 0.561 69.435 68.868 0.010 0.000 0.930 227 T HN 0.578 nan 8.240 nan 0.000 0.443 228 N N 2.331 121.025 118.700 -0.010 0.000 3.091 228 N HA 0.130 4.870 4.740 -0.000 0.000 0.301 228 N C 1.469 176.979 175.510 -0.001 0.000 1.325 228 N CA -0.321 52.726 53.050 -0.006 0.000 1.143 228 N CB -0.152 38.328 38.487 -0.011 0.000 1.450 228 N HN 0.729 nan 8.380 nan 0.000 0.542 229 I N -1.227 119.346 120.570 0.004 0.000 2.394 229 I HA 0.152 4.321 4.170 -0.000 0.000 0.251 229 I C 1.330 177.453 176.117 0.010 0.000 1.136 229 I CA 0.481 61.784 61.300 0.005 0.000 1.425 229 I CB -0.871 37.131 38.000 0.004 0.000 1.079 229 I HN 0.092 nan 8.210 nan 0.000 0.425 236 R N 2.580 123.086 120.500 0.009 0.000 2.446 236 R HA 0.203 4.543 4.340 -0.000 0.000 0.325 236 R C 0.596 176.905 176.300 0.015 0.000 0.997 236 R CA 0.188 56.294 56.100 0.009 0.000 1.010 236 R CB 0.170 30.473 30.300 0.005 0.000 0.946 236 R HN 0.530 nan 8.270 nan 0.000 0.422 237 I N 4.242 124.823 120.570 0.019 0.000 2.664 237 I HA 0.501 4.671 4.170 -0.000 0.000 0.308 237 I C -2.282 173.851 176.117 0.027 0.000 0.984 237 I CA -2.826 58.490 61.300 0.026 0.000 1.213 237 I CB 1.315 39.333 38.000 0.031 0.000 1.379 237 I HN 0.247 nan 8.210 nan 0.000 0.501 238 P HA 0.576 nan 4.420 nan 0.000 0.292 238 P C -1.009 176.319 177.300 0.047 0.000 1.308 238 P CA -0.664 62.455 63.100 0.032 0.000 0.933 238 P CB 2.008 33.720 31.700 0.019 0.000 1.217 239 I N 0.933 121.545 120.570 0.069 0.000 2.437 239 I HA 0.261 4.431 4.170 -0.000 0.000 0.279 239 I C 0.192 176.392 176.117 0.138 0.000 1.028 239 I CA -0.298 61.088 61.300 0.144 0.000 1.142 239 I CB 1.215 39.327 38.000 0.187 0.000 1.266 239 I HN 0.231 nan 8.210 nan 0.000 0.461 240 S N 2.653 118.389 115.700 0.060 0.000 2.843 240 S HA 0.564 5.034 4.470 -0.000 0.000 0.249 240 S C 0.246 174.871 174.600 0.041 0.000 1.047 240 S CA -0.646 57.453 58.200 -0.168 0.000 1.042 240 S CB 0.918 64.032 63.200 -0.144 0.000 0.936 240 S HN 0.763 nan 8.310 nan 0.000 0.531 241 G N 1.269 110.287 108.800 0.363 0.000 2.760 241 G HA2 0.640 4.600 3.960 -0.000 0.000 0.296 241 G HA3 0.640 4.600 3.960 -0.000 0.000 0.296 241 G C -1.347 173.657 174.900 0.174 0.000 1.427 241 G CA -0.705 44.554 45.100 0.264 0.000 1.109 241 G HN 0.321 nan 8.290 nan 0.000 0.553 242 I N 0.659 121.264 120.570 0.058 0.000 2.686 242 I HA 0.821 4.991 4.170 -0.000 0.000 0.295 242 I C -0.077 175.972 176.117 -0.113 0.000 1.114 242 I CA -1.075 60.169 61.300 -0.093 0.000 1.038 242 I CB 2.303 40.154 38.000 -0.248 0.000 1.238 242 I HN 0.847 nan 8.210 nan 0.000 0.420 243 A N 3.051 125.803 122.820 -0.112 0.000 2.597 243 A HA 0.750 5.070 4.320 -0.000 0.000 0.292 243 A C -0.627 176.894 177.584 -0.106 0.000 1.057 243 A CA -0.426 51.540 52.037 -0.120 0.000 0.674 243 A CB 1.202 20.125 19.000 -0.127 0.000 1.278 243 A HN 0.884 nan 8.150 nan 0.000 0.416 244 G N 0.312 109.043 108.800 -0.114 0.000 2.467 244 G HA2 0.407 4.367 3.960 -0.000 0.000 0.257 244 G HA3 0.407 4.367 3.960 -0.000 0.000 0.257 244 G C 0.495 175.322 174.900 -0.122 0.000 1.227 244 G CA 0.485 45.511 45.100 -0.123 0.000 0.835 244 G HN 0.925 nan 8.290 nan 0.000 0.556 245 D N 1.856 122.180 120.400 -0.127 0.000 2.160 245 D HA -0.283 4.357 4.640 -0.000 0.000 0.189 245 D C 1.875 178.106 176.300 -0.114 0.000 1.003 245 D CA 1.614 55.548 54.000 -0.110 0.000 0.846 245 D CB -0.454 40.284 40.800 -0.103 0.000 0.949 245 D HN 0.355 nan 8.370 nan 0.000 0.446 246 Q N 0.303 119.991 119.800 -0.186 0.000 2.096 246 Q HA -0.185 4.155 4.340 -0.000 0.000 0.208 246 Q C 2.395 178.368 176.000 -0.046 0.000 0.993 246 Q CA 1.878 57.609 55.803 -0.119 0.000 0.862 246 Q CB -0.616 28.034 28.738 -0.146 0.000 0.915 246 Q HN 0.551 nan 8.270 nan 0.000 0.416 247 Q N -0.593 119.172 119.800 -0.058 0.000 2.045 247 Q HA -0.198 4.142 4.340 -0.000 0.000 0.206 247 Q C 1.992 177.987 176.000 -0.009 0.000 0.991 247 Q CA 1.932 57.717 55.803 -0.030 0.000 0.851 247 Q CB -0.443 28.256 28.738 -0.065 0.000 0.911 247 Q HN 0.472 nan 8.270 nan 0.000 0.418 248 A N 0.787 123.580 122.820 -0.045 0.000 1.869 248 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 248 A C 2.197 179.783 177.584 0.005 0.000 1.203 248 A CA 1.999 54.014 52.037 -0.036 0.000 0.638 248 A CB -1.207 17.756 19.000 -0.062 0.000 0.831 248 A HN 0.460 nan 8.150 nan 0.000 0.450 249 A N -1.430 121.387 122.820 -0.005 0.000 2.248 249 A HA 0.198 4.518 4.320 -0.000 0.000 0.210 249 A C 1.856 179.462 177.584 0.036 0.000 1.174 249 A CA 1.318 53.359 52.037 0.008 0.000 0.750 249 A CB -0.417 18.595 19.000 0.020 0.000 0.780 249 A HN 0.653 nan 8.150 nan 0.000 0.478 250 L N -2.318 118.944 121.223 0.065 0.000 2.249 250 L HA 0.213 4.553 4.340 -0.000 0.000 0.207 250 L C 1.826 178.753 176.870 0.095 0.000 1.090 250 L CA 1.383 56.269 54.840 0.076 0.000 0.802 250 L CB -0.807 41.299 42.059 0.078 0.000 0.947 250 L HN 0.374 nan 8.230 nan 0.000 0.453 251 F N 0.403 120.325 119.950 -0.048 0.000 2.163 251 F HA 0.098 4.625 4.527 -0.000 0.000 0.297 251 F C 2.243 178.003 175.800 -0.066 0.000 1.094 251 F CA 1.497 59.469 58.000 -0.046 0.000 1.290 251 F CB -0.673 38.292 39.000 -0.059 0.000 1.017 251 F HN 0.129 nan 8.300 nan 0.000 0.483 252 G N -1.078 107.703 108.800 -0.032 0.000 2.470 252 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.220 252 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.220 252 G C 1.420 176.265 174.900 -0.092 0.000 1.121 252 G CA 0.743 45.723 45.100 -0.199 0.000 0.766 252 G HN 0.413 nan 8.290 nan 0.000 0.553 253 Q N -1.037 118.733 119.800 -0.049 0.000 2.360 253 Q HA 0.334 4.674 4.340 -0.000 0.000 0.202 253 Q C 0.815 176.786 176.000 -0.047 0.000 0.915 253 Q CA -0.284 55.506 55.803 -0.023 0.000 0.943 253 Q CB 0.004 28.747 28.738 0.009 0.000 1.064 253 Q HN 0.122 nan 8.270 nan 0.000 0.511 254 L N -0.745 120.412 121.223 -0.111 0.000 4.001 254 L HA -0.256 4.084 4.340 -0.000 0.000 0.413 254 L C -0.840 175.966 176.870 -0.107 0.000 1.185 254 L CA 0.429 55.160 54.840 -0.183 0.000 0.963 254 L CB -2.740 39.233 42.059 -0.143 0.000 1.976 254 L HN 0.324 nan 8.230 nan 0.000 0.939 255 C N -0.394 118.879 119.300 -0.045 0.000 2.459 255 C HA 0.411 4.871 4.460 -0.000 0.000 0.358 255 C C 1.638 176.629 174.990 0.003 0.000 1.162 255 C CA -0.178 58.836 59.018 -0.007 0.000 1.559 255 C CB -0.321 27.430 27.740 0.019 0.000 2.132 255 C HN 0.347 nan 8.230 nan 0.000 0.536 256 V N 3.747 123.650 119.914 -0.018 0.000 2.991 256 V HA 0.277 4.397 4.120 -0.000 0.000 0.355 256 V C -0.153 175.954 176.094 0.021 0.000 1.384 256 V CA 0.085 62.387 62.300 0.003 0.000 1.171 256 V CB -0.675 31.098 31.823 -0.083 0.000 1.190 256 V HN 1.037 nan 8.190 nan 0.000 0.540 257 K N -1.262 119.151 120.400 0.023 0.000 2.610 257 K HA 0.435 4.755 4.320 -0.000 0.000 0.278 257 K C -0.662 175.955 176.600 0.028 0.000 0.964 257 K CA -0.865 55.438 56.287 0.027 0.000 0.859 257 K CB 0.921 33.432 32.500 0.018 0.000 1.434 257 K HN -0.054 nan 8.250 nan 0.000 0.410 258 E N 0.598 120.818 120.200 0.034 0.000 3.513 258 E HA -0.159 4.191 4.350 -0.000 0.000 0.295 258 E C 0.812 177.424 176.600 0.021 0.000 0.838 258 E CA 2.223 58.642 56.400 0.032 0.000 0.995 258 E CB -0.122 29.596 29.700 0.030 0.000 0.968 258 E HN 0.916 nan 8.360 nan 0.000 0.532 259 G N 3.216 112.027 108.800 0.020 0.000 2.155 259 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.257 259 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.257 259 G C 0.224 175.127 174.900 0.006 0.000 0.983 259 G CA 0.414 45.519 45.100 0.007 0.000 0.676 259 G HN 0.423 nan 8.290 nan 0.000 0.528 260 M N 0.666 120.275 119.600 0.016 0.000 2.108 260 M HA 0.613 5.092 4.480 -0.000 0.000 0.354 260 M C 0.328 176.641 176.300 0.022 0.000 1.229 260 M CA 0.222 55.531 55.300 0.015 0.000 1.081 260 M CB 1.624 34.232 32.600 0.013 0.000 1.606 260 M HN 0.510 nan 8.290 nan 0.000 0.467 261 A N 3.555 126.386 122.820 0.020 0.000 2.479 261 A HA 0.970 5.290 4.320 -0.000 0.000 0.296 261 A C -1.276 176.327 177.584 0.032 0.000 1.121 261 A CA -0.814 51.239 52.037 0.027 0.000 0.743 261 A CB 1.839 20.851 19.000 0.020 0.000 1.323 261 A HN 0.771 nan 8.150 nan 0.000 0.415 262 K N 0.103 120.526 120.400 0.038 0.000 2.536 262 K HA 0.677 4.997 4.320 -0.000 0.000 0.269 262 K C -1.280 175.343 176.600 0.038 0.000 0.965 262 K CA -0.650 55.665 56.287 0.047 0.000 0.860 262 K CB 1.268 33.801 32.500 0.055 0.000 1.423 262 K HN 0.484 nan 8.250 nan 0.000 0.438 263 N N -0.023 118.706 118.700 0.049 0.000 2.354 263 N HA 0.414 5.154 4.740 -0.000 0.000 0.287 263 N C -1.463 174.052 175.510 0.009 0.000 1.016 263 N CA -0.364 52.666 53.050 -0.033 0.000 0.871 263 N CB 2.099 40.501 38.487 -0.143 0.000 1.299 263 N HN 0.661 nan 8.380 nan 0.000 0.482 264 T N 3.412 117.939 114.554 -0.046 0.000 2.806 264 T HA 0.314 4.664 4.350 -0.000 0.000 0.290 264 T C -1.015 173.610 174.700 -0.126 0.000 0.966 264 T CA 0.154 62.287 62.100 0.055 0.000 1.060 264 T CB 0.022 68.975 68.868 0.142 0.000 0.927 264 T HN 0.276 nan 8.240 nan 0.000 0.485 265 Y N 2.085 122.424 120.300 0.065 0.000 2.388 265 Y HA 0.633 5.183 4.550 -0.000 0.000 0.328 265 Y C 0.711 176.662 175.900 0.084 0.000 0.963 265 Y CA -0.835 57.294 58.100 0.048 0.000 1.240 265 Y CB 1.338 39.805 38.460 0.013 0.000 1.118 265 Y HN 0.848 nan 8.280 nan 0.000 0.484 266 G N 0.315 109.253 108.800 0.231 0.000 3.321 266 G HA2 0.091 4.051 3.960 -0.000 0.000 0.169 266 G HA3 0.091 4.051 3.960 -0.000 0.000 0.169 266 G C 0.694 175.727 174.900 0.221 0.000 1.153 266 G CA -0.122 45.112 45.100 0.223 0.000 1.007 266 G HN 0.268 nan 8.290 nan 0.000 0.668 267 T N 0.410 115.128 114.554 0.272 0.000 2.720 267 T HA 0.152 4.502 4.350 -0.000 0.000 0.268 267 T C 1.200 176.081 174.700 0.301 0.000 1.037 267 T CA 2.060 64.336 62.100 0.294 0.000 1.144 267 T CB -0.523 68.562 68.868 0.362 0.000 0.864 267 T HN 0.723 nan 8.240 nan 0.000 0.444 268 G N -1.499 107.520 108.800 0.366 0.000 3.175 268 G HA2 0.486 4.446 3.960 -0.000 0.000 0.255 268 G HA3 0.486 4.446 3.960 -0.000 0.000 0.255 268 G C -1.420 173.342 174.900 -0.229 0.000 1.352 268 G CA -0.420 44.741 45.100 0.102 0.000 1.037 268 G HN 0.316 nan 8.290 nan 0.000 0.556 269 C N 0.286 119.108 119.300 -0.797 0.000 2.316 269 C HA 0.671 5.131 4.460 -0.000 0.000 0.324 269 C C -1.377 173.013 174.990 -1.000 0.000 1.226 269 C CA -0.752 57.833 59.018 -0.721 0.000 1.450 269 C CB -1.158 26.274 27.740 -0.513 0.000 2.123 269 C HN 0.404 nan 8.230 nan 0.000 0.454 270 F N 4.218 124.102 119.950 -0.110 0.000 2.460 270 F HA 0.515 5.042 4.527 -0.000 0.000 0.341 270 F C 0.205 175.962 175.800 -0.072 0.000 1.130 270 F CA -0.634 57.333 58.000 -0.057 0.000 0.962 270 F CB 1.105 40.092 39.000 -0.022 0.000 1.171 270 F HN 0.344 nan 8.300 nan 0.000 0.436 271 M N 5.858 125.498 119.600 0.067 0.000 2.047 271 M HA 0.495 4.975 4.480 -0.000 0.000 0.342 271 M C -2.026 174.317 176.300 0.072 0.000 1.058 271 M CA -0.634 54.680 55.300 0.023 0.000 0.991 271 M CB 0.537 33.110 32.600 -0.045 0.000 1.474 271 M HN 0.436 nan 8.290 nan 0.000 0.419 272 L N 5.273 126.541 121.223 0.076 0.000 2.330 272 L HA 0.670 5.010 4.340 -0.000 0.000 0.271 272 L C -0.461 176.445 176.870 0.059 0.000 1.013 272 L CA -0.426 54.462 54.840 0.079 0.000 0.816 272 L CB 1.740 43.850 42.059 0.085 0.000 1.287 272 L HN 0.807 nan 8.230 nan 0.000 0.435 273 M N 2.852 122.489 119.600 0.061 0.000 2.165 273 M HA 0.319 4.799 4.480 -0.000 0.000 0.283 273 M C -0.840 175.495 176.300 0.058 0.000 0.978 273 M CA -0.562 54.768 55.300 0.050 0.000 0.948 273 M CB 1.518 34.140 32.600 0.037 0.000 1.599 273 M HN 0.665 nan 8.290 nan 0.000 0.450 274 N N 2.745 121.478 118.700 0.055 0.000 2.447 274 N HA 0.033 4.772 4.740 -0.000 0.000 0.263 274 N C 0.241 175.793 175.510 0.069 0.000 1.226 274 N CA 0.747 53.835 53.050 0.064 0.000 0.906 274 N CB 0.921 39.442 38.487 0.056 0.000 1.060 274 N HN 0.721 nan 8.380 nan 0.000 0.468 275 T N 0.976 115.590 114.554 0.099 0.000 3.248 275 T HA 0.401 4.750 4.350 -0.000 0.000 0.271 275 T C 1.034 175.814 174.700 0.134 0.000 1.005 275 T CA 0.091 62.255 62.100 0.105 0.000 0.902 275 T CB -0.583 68.349 68.868 0.105 0.000 1.102 275 T HN 0.648 nan 8.240 nan 0.000 0.548 276 G N 2.612 111.475 108.800 0.106 0.000 2.594 276 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.297 276 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.297 276 G C 0.666 175.653 174.900 0.146 0.000 1.273 276 G CA 0.386 45.543 45.100 0.095 0.000 0.974 276 G HN 0.439 nan 8.290 nan 0.000 0.552 277 E N 1.040 121.325 120.200 0.142 0.000 2.418 277 E HA -0.010 4.340 4.350 -0.000 0.000 0.197 277 E C 1.114 177.942 176.600 0.379 0.000 1.026 277 E CA 1.416 57.928 56.400 0.188 0.000 0.862 277 E CB 0.002 29.767 29.700 0.108 0.000 0.799 277 E HN 0.634 nan 8.360 nan 0.000 0.518 278 K N 0.032 120.608 120.400 0.293 0.000 2.221 278 K HA 0.554 4.873 4.320 -0.000 0.000 0.258 278 K C -0.689 175.825 176.600 -0.144 0.000 0.944 278 K CA -0.722 55.613 56.287 0.081 0.000 0.823 278 K CB 1.925 34.439 32.500 0.025 0.000 1.113 278 K HN -0.166 nan 8.250 nan 0.000 0.431 279 A N 3.650 126.116 122.820 -0.591 0.000 2.316 279 A HA 0.398 4.718 4.320 -0.000 0.000 0.311 279 A C -0.288 177.134 177.584 -0.269 0.000 1.339 279 A CA -0.818 50.790 52.037 -0.715 0.000 0.960 279 A CB 0.007 18.303 19.000 -1.173 0.000 1.152 279 A HN 0.577 nan 8.150 nan 0.000 0.547 280 V N 3.111 122.940 119.914 -0.141 0.000 2.715 280 V HA 0.202 4.321 4.120 -0.000 0.000 0.299 280 V C 0.507 176.566 176.094 -0.058 0.000 1.054 280 V CA -0.042 62.216 62.300 -0.069 0.000 1.077 280 V CB 0.997 32.807 31.823 -0.022 0.000 0.972 280 V HN 0.956 nan 8.190 nan 0.000 0.484 281 K N 2.712 123.087 120.400 -0.041 0.000 2.293 281 K HA 0.548 4.868 4.320 -0.000 0.000 0.267 281 K C -0.124 176.471 176.600 -0.009 0.000 1.010 281 K CA -0.125 56.145 56.287 -0.030 0.000 0.875 281 K CB 1.541 34.020 32.500 -0.035 0.000 1.106 281 K HN 0.513 nan 8.250 nan 0.000 0.450 282 S N 2.145 117.848 115.700 0.005 0.000 2.568 282 S HA 0.019 4.489 4.470 -0.000 0.000 0.282 282 S C 0.169 174.782 174.600 0.021 0.000 1.338 282 S CA -0.079 58.137 58.200 0.025 0.000 1.045 282 S CB 0.410 63.641 63.200 0.052 0.000 0.873 282 S HN 0.752 nan 8.310 nan 0.000 0.516 283 E N 2.399 122.616 120.200 0.029 0.000 2.676 283 E HA 0.150 4.500 4.350 -0.000 0.000 0.225 283 E C -0.592 176.033 176.600 0.042 0.000 0.944 283 E CA 0.097 56.514 56.400 0.028 0.000 1.156 283 E CB 0.240 29.952 29.700 0.020 0.000 1.117 283 E HN 0.767 nan 8.360 nan 0.000 0.523 284 N N -0.193 118.539 118.700 0.053 0.000 2.553 284 N HA 0.275 5.015 4.740 -0.000 0.000 0.298 284 N C 0.435 176.003 175.510 0.097 0.000 1.596 284 N CA 0.342 53.429 53.050 0.061 0.000 0.910 284 N CB 1.516 40.029 38.487 0.044 0.000 1.336 284 N HN 0.072 nan 8.380 nan 0.000 0.497 285 G N 0.202 109.085 108.800 0.139 0.000 2.160 285 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.251 285 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.251 285 G C -0.058 175.076 174.900 0.390 0.000 1.008 285 G CA 0.295 45.565 45.100 0.283 0.000 0.724 285 G HN 0.297 nan 8.290 nan 0.000 0.514 286 L N -1.155 120.205 121.223 0.228 0.000 2.492 286 L HA 0.793 5.133 4.340 -0.000 0.000 0.263 286 L C 0.834 177.826 176.870 0.203 0.000 1.062 286 L CA -1.340 53.650 54.840 0.250 0.000 0.817 286 L CB 1.006 43.157 42.059 0.154 0.000 1.441 286 L HN -0.004 nan 8.230 nan 0.000 0.493 287 L N -0.062 121.289 121.223 0.214 0.000 2.341 287 L HA 0.452 4.791 4.340 -0.000 0.000 0.278 287 L C -0.706 176.221 176.870 0.095 0.000 1.005 287 L CA -0.492 54.438 54.840 0.151 0.000 0.818 287 L CB 1.830 44.028 42.059 0.232 0.000 1.259 287 L HN 0.514 nan 8.230 nan 0.000 0.418 288 T N 1.008 115.582 114.554 0.034 0.000 2.733 288 T HA 0.464 4.814 4.350 -0.000 0.000 0.294 288 T C 0.014 174.730 174.700 0.026 0.000 0.956 288 T CA -0.207 61.903 62.100 0.018 0.000 0.987 288 T CB 1.478 70.325 68.868 -0.037 0.000 0.920 288 T HN 0.665 nan 8.240 nan 0.000 0.470 289 T N 2.276 116.881 114.554 0.086 0.000 2.754 289 T HA 0.629 4.979 4.350 -0.000 0.000 0.296 289 T C -0.965 173.829 174.700 0.158 0.000 1.205 289 T CA -0.659 61.493 62.100 0.088 0.000 1.009 289 T CB 0.960 69.856 68.868 0.047 0.000 1.368 289 T HN 0.446 nan 8.240 nan 0.000 0.509 290 I N 2.187 122.794 120.570 0.062 0.000 2.428 290 I HA 0.608 4.778 4.170 -0.000 0.000 0.289 290 I C 0.466 176.547 176.117 -0.059 0.000 1.019 290 I CA 0.110 61.386 61.300 -0.040 0.000 1.351 290 I CB 1.095 39.064 38.000 -0.053 0.000 1.412 290 I HN 0.774 nan 8.210 nan 0.000 0.513 291 A N 5.361 128.115 122.820 -0.110 0.000 2.443 291 A HA 0.721 5.041 4.320 -0.000 0.000 0.278 291 A C -1.352 176.188 177.584 -0.073 0.000 1.252 291 A CA -0.495 51.509 52.037 -0.056 0.000 0.816 291 A CB 1.088 20.089 19.000 0.002 0.000 1.369 291 A HN 0.670 nan 8.150 nan 0.000 0.446 292 C N 0.477 119.763 119.300 -0.023 0.000 2.319 292 C HA 0.694 5.154 4.460 -0.000 0.000 0.335 292 C C 1.210 176.271 174.990 0.119 0.000 1.274 292 C CA -0.303 58.693 59.018 -0.036 0.000 1.806 292 C CB 0.162 27.724 27.740 -0.297 0.000 2.329 292 C HN 1.020 nan 8.230 nan 0.000 0.524 293 G N 3.309 112.155 108.800 0.076 0.000 2.599 293 G HA2 0.354 4.314 3.960 -0.000 0.000 0.264 293 G HA3 0.354 4.314 3.960 -0.000 0.000 0.264 293 G C -1.620 173.425 174.900 0.241 0.000 1.200 293 G CA -0.645 44.521 45.100 0.110 0.000 0.896 293 G HN 0.491 nan 8.290 nan 0.000 0.536 294 P HA -0.079 nan 4.420 nan 0.000 0.223 294 P C 1.690 179.145 177.300 0.258 0.000 1.144 294 P CA 1.875 65.094 63.100 0.198 0.000 0.783 294 P CB 0.210 31.953 31.700 0.071 0.000 0.771 295 T N -5.616 109.052 114.554 0.189 0.000 3.092 295 T HA 0.411 4.761 4.350 -0.000 0.000 0.258 295 T C 1.186 175.948 174.700 0.104 0.000 1.031 295 T CA 0.266 62.456 62.100 0.150 0.000 0.925 295 T CB -0.713 68.207 68.868 0.086 0.000 1.036 295 T HN 0.191 nan 8.240 nan 0.000 0.544 296 G N 2.081 110.920 108.800 0.065 0.000 2.165 296 G HA2 -0.183 3.776 3.960 -0.000 0.000 0.226 296 G HA3 -0.183 3.776 3.960 -0.000 0.000 0.226 296 G C -0.322 174.545 174.900 -0.055 0.000 1.035 296 G CA 0.092 45.115 45.100 -0.127 0.000 0.744 296 G HN 0.972 nan 8.290 nan 0.000 0.501 297 E N 0.516 120.713 120.200 -0.003 0.000 2.212 297 E HA 0.598 4.947 4.350 -0.000 0.000 0.270 297 E C 0.425 177.009 176.600 -0.026 0.000 0.956 297 E CA -0.873 55.530 56.400 0.006 0.000 0.825 297 E CB 2.043 31.755 29.700 0.020 0.000 1.167 297 E HN 0.308 nan 8.360 nan 0.000 0.400 298 V N 3.136 123.029 119.914 -0.036 0.000 2.872 298 V HA -0.094 4.026 4.120 -0.000 0.000 0.302 298 V C 0.233 176.185 176.094 -0.237 0.000 1.166 298 V CA 0.902 63.117 62.300 -0.143 0.000 1.298 298 V CB -0.332 31.375 31.823 -0.194 0.000 0.894 298 V HN 0.715 nan 8.190 nan 0.000 0.509 299 N N 1.717 120.202 118.700 -0.358 0.000 2.972 299 N HA 0.602 5.342 4.740 -0.000 0.000 0.262 299 N C -1.606 173.539 175.510 -0.607 0.000 1.478 299 N CA -0.613 52.227 53.050 -0.350 0.000 0.841 299 N CB 1.513 39.941 38.487 -0.099 0.000 1.512 299 N HN 0.437 nan 8.380 nan 0.000 0.548 300 Y N -0.259 120.043 120.300 0.002 0.000 2.562 300 Y HA 0.834 5.384 4.550 -0.000 0.000 0.343 300 Y C -0.101 175.803 175.900 0.007 0.000 1.025 300 Y CA -0.824 57.270 58.100 -0.010 0.000 1.082 300 Y CB 2.004 40.450 38.460 -0.023 0.000 1.264 300 Y HN 0.570 nan 8.280 nan 0.000 0.478 301 A N 1.694 124.648 122.820 0.223 0.000 2.572 301 A HA 0.731 5.051 4.320 -0.000 0.000 0.295 301 A C -2.040 175.612 177.584 0.114 0.000 1.072 301 A CA -0.772 51.344 52.037 0.132 0.000 0.691 301 A CB 1.375 20.432 19.000 0.094 0.000 1.291 301 A HN 0.703 nan 8.150 nan 0.000 0.404 302 L N 1.539 122.817 121.223 0.092 0.000 2.264 302 L HA 0.516 4.856 4.340 -0.000 0.000 0.289 302 L C 0.085 177.017 176.870 0.103 0.000 1.044 302 L CA -0.125 54.766 54.840 0.085 0.000 0.807 302 L CB 1.370 43.469 42.059 0.065 0.000 1.192 302 L HN 0.937 nan 8.230 nan 0.000 0.425 303 E N 2.784 123.064 120.200 0.135 0.000 2.234 303 E HA 0.531 4.881 4.350 -0.000 0.000 0.266 303 E C -0.666 176.064 176.600 0.217 0.000 0.877 303 E CA -0.720 55.783 56.400 0.173 0.000 0.758 303 E CB 2.046 31.869 29.700 0.205 0.000 1.170 303 E HN 0.643 nan 8.360 nan 0.000 0.415 304 G N 2.437 111.342 108.800 0.175 0.000 2.347 304 G HA2 0.587 4.547 3.960 -0.000 0.000 0.314 304 G HA3 0.587 4.547 3.960 -0.000 0.000 0.314 304 G C -0.819 174.163 174.900 0.136 0.000 1.126 304 G CA -0.366 44.816 45.100 0.138 0.000 0.929 304 G HN 0.535 nan 8.290 nan 0.000 0.441 305 A N 2.350 125.276 122.820 0.176 0.000 2.304 305 A HA 0.696 5.016 4.320 -0.000 0.000 0.323 305 A C -0.596 176.778 177.584 -0.350 0.000 1.195 305 A CA -0.548 51.555 52.037 0.110 0.000 0.826 305 A CB 1.753 21.138 19.000 0.643 0.000 1.184 305 A HN 0.771 nan 8.150 nan 0.000 0.496 306 V N 4.591 124.157 119.914 -0.580 0.000 2.326 306 V HA 0.230 4.350 4.120 -0.000 0.000 0.281 306 V C 0.374 176.282 176.094 -0.310 0.000 1.015 306 V CA -0.302 61.687 62.300 -0.519 0.000 0.823 306 V CB 0.474 32.039 31.823 -0.429 0.000 1.009 306 V HN 0.883 nan 8.190 nan 0.000 0.436 307 F N 3.019 122.852 119.950 -0.195 0.000 2.046 307 F HA -0.017 4.510 4.527 -0.000 0.000 0.297 307 F C 1.311 177.117 175.800 0.011 0.000 1.123 307 F CA 1.122 59.135 58.000 0.020 0.000 1.199 307 F CB -0.416 38.555 39.000 -0.047 0.000 0.972 307 F HN 0.262 nan 8.300 nan 0.000 0.474 308 M N -0.618 119.031 119.600 0.082 0.000 2.238 308 M HA 0.522 5.002 4.480 -0.000 0.000 0.350 308 M C 0.415 176.684 176.300 -0.051 0.000 1.138 308 M CA -0.161 55.124 55.300 -0.026 0.000 1.040 308 M CB 1.087 33.554 32.600 -0.220 0.000 1.639 308 M HN 0.214 nan 8.290 nan 0.000 0.451 309 A N 2.751 125.570 122.820 -0.001 0.000 1.681 309 A HA 0.534 4.854 4.320 -0.000 0.000 0.160 309 A C 1.418 179.041 177.584 0.065 0.000 1.621 309 A CA 0.499 52.544 52.037 0.014 0.000 1.937 309 A CB -0.934 18.064 19.000 -0.005 0.000 1.902 309 A HN 0.735 nan 8.150 nan 0.000 1.132 310 G N 0.326 109.194 108.800 0.112 0.000 2.450 310 G HA2 0.091 4.051 3.960 -0.000 0.000 0.220 310 G HA3 0.091 4.051 3.960 -0.000 0.000 0.220 310 G C 1.542 176.516 174.900 0.122 0.000 1.130 310 G CA 1.807 46.983 45.100 0.126 0.000 0.760 310 G HN 1.213 nan 8.290 nan 0.000 0.557 311 A N 1.130 124.022 122.820 0.121 0.000 2.024 311 A HA -0.022 4.298 4.320 -0.000 0.000 0.220 311 A C 2.632 180.298 177.584 0.137 0.000 1.164 311 A CA 2.256 54.372 52.037 0.133 0.000 0.643 311 A CB -0.442 18.632 19.000 0.124 0.000 0.806 311 A HN 0.456 nan 8.150 nan 0.000 0.451 312 S N -0.200 115.540 115.700 0.066 0.000 2.461 312 S HA -0.015 4.455 4.470 -0.000 0.000 0.228 312 S C 1.565 176.317 174.600 0.254 0.000 1.005 312 S CA 0.867 59.121 58.200 0.091 0.000 0.942 312 S CB -0.266 62.869 63.200 -0.108 0.000 0.776 312 S HN 0.386 nan 8.310 nan 0.000 0.514 313 I N 2.873 123.545 120.570 0.171 0.000 2.202 313 I HA -0.111 4.059 4.170 -0.000 0.000 0.242 313 I C 2.700 178.914 176.117 0.162 0.000 1.091 313 I CA 0.980 62.371 61.300 0.151 0.000 1.368 313 I CB -1.684 36.384 38.000 0.112 0.000 1.058 313 I HN 0.324 nan 8.210 nan 0.000 0.410 314 Q N -0.641 119.262 119.800 0.172 0.000 2.062 314 Q HA -0.300 4.040 4.340 -0.000 0.000 0.209 314 Q C 2.193 178.306 176.000 0.189 0.000 0.996 314 Q CA 2.326 58.226 55.803 0.161 0.000 0.859 314 Q CB -0.899 27.937 28.738 0.163 0.000 0.920 314 Q HN 0.604 nan 8.270 nan 0.000 0.415 315 W N 1.896 123.257 121.300 0.101 0.000 2.277 315 W HA -0.278 4.382 4.660 -0.000 0.000 0.327 315 W C 1.978 178.546 176.519 0.083 0.000 1.284 315 W CA 1.939 59.359 57.345 0.124 0.000 1.277 315 W CB -0.690 28.913 29.460 0.239 0.000 1.141 315 W HN 0.085 nan 8.180 nan 0.000 0.482 316 L N 0.122 121.340 121.223 -0.008 0.000 2.042 316 L HA -0.260 4.080 4.340 -0.000 0.000 0.210 316 L C 2.819 179.544 176.870 -0.241 0.000 1.076 316 L CA 2.230 56.923 54.840 -0.245 0.000 0.749 316 L CB -0.960 41.078 42.059 -0.036 0.000 0.893 316 L HN 0.164 nan 8.230 nan 0.000 0.432 317 R N -0.366 120.077 120.500 -0.096 0.000 2.080 317 R HA -0.088 4.252 4.340 -0.000 0.000 0.222 317 R C 1.565 177.814 176.300 -0.085 0.000 1.107 317 R CA 1.499 57.556 56.100 -0.072 0.000 0.980 317 R CB -0.175 30.125 30.300 0.001 0.000 0.879 317 R HN 0.272 nan 8.270 nan 0.000 0.439 318 D N 0.045 120.410 120.400 -0.059 0.000 2.216 318 D HA -0.054 4.585 4.640 -0.000 0.000 0.208 318 D C 1.323 177.567 176.300 -0.092 0.000 0.960 318 D CA 0.922 54.896 54.000 -0.042 0.000 0.861 318 D CB 0.159 40.974 40.800 0.025 0.000 0.985 318 D HN 0.307 nan 8.370 nan 0.000 0.493 319 E N -0.335 119.746 120.200 -0.199 0.000 2.132 319 E HA 0.111 4.461 4.350 -0.000 0.000 0.193 319 E C 2.045 178.432 176.600 -0.355 0.000 0.951 319 E CA 0.343 56.605 56.400 -0.230 0.000 0.843 319 E CB 0.142 29.738 29.700 -0.173 0.000 0.807 319 E HN -0.022 nan 8.360 nan 0.000 0.467 320 M N 0.175 119.392 119.600 -0.638 0.000 2.236 320 M HA 0.058 4.538 4.480 -0.000 0.000 0.266 320 M C 0.244 176.345 176.300 -0.332 0.000 1.070 320 M CA 0.936 55.903 55.300 -0.555 0.000 1.137 320 M CB -0.495 31.587 32.600 -0.864 0.000 1.378 320 M HN -0.065 nan 8.290 nan 0.000 0.426 321 K N -0.172 120.053 120.400 -0.291 0.000 3.192 321 K HA -0.154 4.166 4.320 -0.000 0.000 0.278 321 K C 0.657 177.142 176.600 -0.192 0.000 1.164 321 K CA 0.114 56.288 56.287 -0.189 0.000 0.816 321 K CB -2.328 30.088 32.500 -0.140 0.000 1.256 321 K HN 0.300 nan 8.250 nan 0.000 0.497 322 L N 0.280 121.362 121.223 -0.236 0.000 2.376 322 L HA 0.087 4.427 4.340 -0.000 0.000 0.219 322 L C 1.270 177.968 176.870 -0.286 0.000 1.133 322 L CA 0.802 55.487 54.840 -0.257 0.000 0.816 322 L CB -0.503 41.397 42.059 -0.265 0.000 0.933 322 L HN 0.371 nan 8.230 nan 0.000 0.449 323 I N -5.504 114.960 120.570 -0.178 0.000 3.095 323 I HA 0.308 4.478 4.170 -0.000 0.000 0.310 323 I C -0.111 176.003 176.117 -0.005 0.000 1.196 323 I CA -0.836 60.416 61.300 -0.080 0.000 0.985 323 I CB 1.863 39.869 38.000 0.010 0.000 1.250 323 I HN -0.138 nan 8.210 nan 0.000 0.446 324 N N 0.614 119.353 118.700 0.065 0.000 2.322 324 N HA 0.148 4.888 4.740 -0.000 0.000 0.181 324 N C -0.876 174.681 175.510 0.078 0.000 1.088 324 N CA 0.061 53.144 53.050 0.055 0.000 0.885 324 N CB 0.666 39.186 38.487 0.054 0.000 1.013 324 N HN 0.616 nan 8.380 nan 0.000 0.472 325 D N -0.490 119.983 120.400 0.122 0.000 2.879 325 D HA 0.345 4.985 4.640 -0.000 0.000 0.236 325 D C 0.486 176.884 176.300 0.164 0.000 1.171 325 D CA -0.562 53.527 54.000 0.148 0.000 0.868 325 D CB 1.954 42.878 40.800 0.206 0.000 1.598 325 D HN -0.081 nan 8.370 nan 0.000 0.497 326 A N 1.837 124.747 122.820 0.151 0.000 1.927 326 A HA -0.295 4.025 4.320 -0.000 0.000 0.220 326 A C 1.874 179.550 177.584 0.153 0.000 1.185 326 A CA 1.520 53.640 52.037 0.139 0.000 0.639 326 A CB -0.929 18.151 19.000 0.133 0.000 0.820 326 A HN 0.685 nan 8.150 nan 0.000 0.451 327 Y N 1.508 121.844 120.300 0.060 0.000 2.030 327 Y HA -0.346 4.204 4.550 -0.000 0.000 0.272 327 Y C 1.956 177.895 175.900 0.066 0.000 1.185 327 Y CA 2.400 60.531 58.100 0.050 0.000 1.120 327 Y CB -0.596 37.882 38.460 0.029 0.000 0.955 327 Y HN 0.447 nan 8.280 nan 0.000 0.495 328 D N -0.536 119.901 120.400 0.062 0.000 2.239 328 D HA -0.221 4.418 4.640 -0.000 0.000 0.202 328 D C 2.411 178.771 176.300 0.099 0.000 0.993 328 D CA 1.526 55.569 54.000 0.072 0.000 0.874 328 D CB -0.734 40.301 40.800 0.392 0.000 0.922 328 D HN 0.557 nan 8.370 nan 0.000 0.464 329 S N 0.574 116.324 115.700 0.084 0.000 2.365 329 S HA -0.306 4.164 4.470 -0.000 0.000 0.225 329 S C 1.948 176.515 174.600 -0.056 0.000 1.039 329 S CA 1.528 59.781 58.200 0.087 0.000 1.033 329 S CB -0.600 62.616 63.200 0.027 0.000 0.887 329 S HN 0.342 nan 8.310 nan 0.000 0.447 330 E N 0.321 120.410 120.200 -0.184 0.000 2.065 330 E HA -0.259 4.091 4.350 -0.000 0.000 0.201 330 E C 1.953 178.391 176.600 -0.270 0.000 1.016 330 E CA 1.680 57.937 56.400 -0.239 0.000 0.818 330 E CB -0.419 29.141 29.700 -0.234 0.000 0.749 330 E HN 0.716 nan 8.360 nan 0.000 0.453 331 Y N 0.103 120.151 120.300 -0.421 0.000 2.081 331 Y HA -0.285 4.265 4.550 -0.000 0.000 0.280 331 Y C 1.818 177.395 175.900 -0.539 0.000 1.163 331 Y CA 2.153 59.951 58.100 -0.504 0.000 1.135 331 Y CB -0.560 37.508 38.460 -0.653 0.000 0.970 331 Y HN 0.072 nan 8.280 nan 0.000 0.498 332 F N -0.190 119.605 119.950 -0.258 0.000 2.293 332 F HA -0.048 4.479 4.527 -0.000 0.000 0.300 332 F C 2.510 178.054 175.800 -0.427 0.000 1.086 332 F CA 0.982 58.752 58.000 -0.383 0.000 1.375 332 F CB -1.008 37.868 39.000 -0.206 0.000 1.045 332 F HN 0.171 nan 8.300 nan 0.000 0.516 333 A N -0.184 122.462 122.820 -0.290 0.000 1.970 333 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 333 A C 2.190 179.458 177.584 -0.525 0.000 1.170 333 A CA 1.676 53.432 52.037 -0.468 0.000 0.645 333 A CB -1.238 17.317 19.000 -0.742 0.000 0.816 333 A HN 0.364 nan 8.150 nan 0.000 0.447 334 T N -3.200 111.057 114.554 -0.495 0.000 3.113 334 T HA 0.093 4.442 4.350 -0.000 0.000 0.256 334 T C 1.610 176.118 174.700 -0.320 0.000 1.131 334 T CA 0.879 62.771 62.100 -0.346 0.000 1.074 334 T CB -0.056 68.662 68.868 -0.250 0.000 0.944 334 T HN 0.327 nan 8.240 nan 0.000 0.516 335 K N 1.157 121.299 120.400 -0.429 0.000 2.148 335 K HA 0.040 4.360 4.320 -0.000 0.000 0.204 335 K C 1.170 177.620 176.600 -0.250 0.000 1.050 335 K CA 0.942 56.990 56.287 -0.398 0.000 0.942 335 K CB -0.227 31.995 32.500 -0.463 0.000 0.724 335 K HN 0.549 nan 8.250 nan 0.000 0.446 336 V N -1.323 118.446 119.914 -0.241 0.000 2.837 336 V HA 0.181 4.301 4.120 -0.000 0.000 0.310 336 V C 0.910 176.955 176.094 -0.081 0.000 1.059 336 V CA -0.649 61.551 62.300 -0.167 0.000 1.004 336 V CB 1.835 33.537 31.823 -0.203 0.000 1.045 336 V HN 0.023 nan 8.190 nan 0.000 0.465 337 Q N 1.867 121.665 119.800 -0.004 0.000 2.331 337 Q HA 0.126 4.465 4.340 -0.000 0.000 0.203 337 Q C 0.111 176.158 176.000 0.078 0.000 0.944 337 Q CA 1.300 57.126 55.803 0.038 0.000 0.892 337 Q CB 0.078 28.845 28.738 0.049 0.000 0.983 337 Q HN 1.086 nan 8.270 nan 0.000 0.482 338 N N -3.321 115.434 118.700 0.092 0.000 3.116 338 N HA -0.030 4.710 4.740 -0.000 0.000 0.244 338 N C -0.049 175.557 175.510 0.159 0.000 1.485 338 N CA -0.062 53.056 53.050 0.114 0.000 0.884 338 N CB 0.337 38.894 38.487 0.117 0.000 1.415 338 N HN -0.206 nan 8.380 nan 0.000 0.524 339 T N -1.086 113.520 114.554 0.087 0.000 3.215 339 T HA 0.020 4.370 4.350 -0.000 0.000 0.254 339 T C 0.488 175.188 174.700 -0.001 0.000 1.149 339 T CA 0.811 62.952 62.100 0.068 0.000 1.042 339 T CB -1.193 67.647 68.868 -0.046 0.000 0.966 339 T HN 0.727 nan 8.240 nan 0.000 0.534 340 N N 0.199 118.892 118.700 -0.011 0.000 2.721 340 N HA -0.204 4.536 4.740 -0.000 0.000 0.249 340 N C 1.003 176.456 175.510 -0.096 0.000 1.072 340 N CA 1.501 54.459 53.050 -0.154 0.000 0.710 340 N CB -1.545 36.529 38.487 -0.689 0.000 0.993 340 N HN 0.994 nan 8.380 nan 0.000 0.547 341 G N -3.124 105.669 108.800 -0.012 0.000 2.253 341 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.251 341 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.251 341 G C 0.235 175.185 174.900 0.083 0.000 0.998 341 G CA 0.293 45.431 45.100 0.064 0.000 0.621 341 G HN 0.778 nan 8.290 nan 0.000 0.524 342 V N 0.453 120.371 119.914 0.006 0.000 2.872 342 V HA 0.443 4.563 4.120 -0.000 0.000 0.307 342 V C 0.224 176.345 176.094 0.045 0.000 1.072 342 V CA 0.368 62.712 62.300 0.074 0.000 1.148 342 V CB 0.751 32.600 31.823 0.043 0.000 0.954 342 V HN 0.285 nan 8.190 nan 0.000 0.490 343 Y N 1.668 122.087 120.300 0.198 0.000 2.457 343 Y HA 0.593 5.143 4.550 -0.000 0.000 0.343 343 Y C -0.246 175.833 175.900 0.298 0.000 0.994 343 Y CA -0.691 57.559 58.100 0.251 0.000 1.031 343 Y CB 2.331 40.892 38.460 0.167 0.000 1.246 343 Y HN 0.324 nan 8.280 nan 0.000 0.449 344 V N 4.556 124.738 119.914 0.446 0.000 2.409 344 V HA 0.446 4.566 4.120 -0.000 0.000 0.291 344 V C -0.890 175.419 176.094 0.359 0.000 1.020 344 V CA -0.888 61.608 62.300 0.326 0.000 0.848 344 V CB 1.697 33.654 31.823 0.223 0.000 0.990 344 V HN 0.509 nan 8.190 nan 0.000 0.430 345 V N 7.562 127.618 119.914 0.237 0.000 2.293 345 V HA 0.301 4.421 4.120 -0.000 0.000 0.275 345 V C -1.864 174.246 176.094 0.026 0.000 1.021 345 V CA -1.707 60.684 62.300 0.152 0.000 0.815 345 V CB 1.501 33.329 31.823 0.008 0.000 1.025 345 V HN 0.789 nan 8.190 nan 0.000 0.448 346 P HA 0.063 nan 4.420 nan 0.000 0.271 346 P C 0.414 177.493 177.300 -0.368 0.000 1.601 346 P CA 0.246 63.078 63.100 -0.446 0.000 0.856 346 P CB -0.106 31.387 31.700 -0.346 0.000 1.820 347 A N 0.077 122.858 122.820 -0.065 0.000 3.215 347 A HA 0.262 4.582 4.320 -0.000 0.000 0.269 347 A C 0.721 178.456 177.584 0.251 0.000 1.517 347 A CA -0.439 51.629 52.037 0.051 0.000 1.221 347 A CB -1.161 17.852 19.000 0.022 0.000 1.160 347 A HN 0.033 nan 8.150 nan 0.000 0.620 348 F N 0.464 120.324 119.950 -0.150 0.000 2.407 348 F HA -0.002 4.524 4.527 -0.000 0.000 0.299 348 F C 1.927 177.642 175.800 -0.142 0.000 1.097 348 F CA 1.558 59.434 58.000 -0.207 0.000 1.422 348 F CB -0.480 38.342 39.000 -0.297 0.000 1.067 348 F HN 0.499 nan 8.300 nan 0.000 0.539 349 T N -2.224 112.410 114.554 0.132 0.000 3.533 349 T HA 0.593 4.942 4.350 -0.000 0.000 0.275 349 T C 0.579 175.370 174.700 0.151 0.000 1.000 349 T CA -0.022 62.104 62.100 0.044 0.000 1.015 349 T CB 0.003 68.793 68.868 -0.129 0.000 1.153 349 T HN 0.463 nan 8.240 nan 0.000 0.504 350 G N 1.252 110.142 108.800 0.150 0.000 2.642 350 G HA2 -0.082 3.877 3.960 -0.000 0.000 0.231 350 G HA3 -0.082 3.877 3.960 -0.000 0.000 0.231 350 G C -0.170 174.801 174.900 0.120 0.000 1.338 350 G CA -0.176 45.012 45.100 0.147 0.000 0.883 350 G HN 0.391 nan 8.290 nan 0.000 0.570 351 L N 1.152 122.379 121.223 0.007 0.000 2.433 351 L HA 0.590 4.930 4.340 -0.000 0.000 0.200 351 L C 2.124 178.583 176.870 -0.684 0.000 1.059 351 L CA 2.908 57.621 54.840 -0.211 0.000 0.835 351 L CB -0.938 41.062 42.059 -0.098 0.000 1.076 351 L HN 2.675 nan 8.230 nan 0.000 0.481 352 G N -0.738 107.644 108.800 -0.696 0.000 2.760 352 G HA2 0.010 3.970 3.960 -0.000 0.000 0.246 352 G HA3 0.010 3.970 3.960 -0.000 0.000 0.246 352 G C 0.042 173.749 174.900 -1.988 0.000 1.359 352 G CA -0.420 43.604 45.100 -1.794 0.000 0.861 352 G HN 0.690 nan 8.290 nan 0.000 0.541 353 A N 0.639 122.120 122.820 -2.232 0.000 2.520 353 A HA 0.553 4.873 4.320 -0.000 0.000 0.235 353 A C -0.064 177.048 177.584 -0.788 0.000 1.065 353 A CA 0.579 51.836 52.037 -1.300 0.000 0.764 353 A CB 0.155 18.927 19.000 -0.380 0.000 1.002 353 A HN 0.736 nan 8.150 nan 0.000 0.502 354 P HA -0.063 nan 4.420 nan 0.000 0.231 354 P C 0.594 177.718 177.300 -0.293 0.000 1.168 354 P CA 1.096 63.969 63.100 -0.380 0.000 0.779 354 P CB -0.069 31.415 31.700 -0.361 0.000 0.844 355 Y N -0.969 119.215 120.300 -0.193 0.000 2.070 355 Y HA -0.093 4.457 4.550 -0.000 0.000 0.279 355 Y C 0.792 176.733 175.900 0.069 0.000 1.134 355 Y CA 0.648 58.699 58.100 -0.082 0.000 1.113 355 Y CB -1.739 36.631 38.460 -0.150 0.000 0.981 355 Y HN -0.094 nan 8.280 nan 0.000 0.487 356 W N 0.771 122.157 121.300 0.143 0.000 5.432 356 W HA -0.182 4.478 4.660 -0.000 0.000 0.413 356 W C -0.590 176.003 176.519 0.124 0.000 1.618 356 W CA 0.347 57.760 57.345 0.114 0.000 0.942 356 W CB -1.353 28.186 29.460 0.131 0.000 2.830 356 W HN 0.112 nan 8.180 nan 0.000 1.362 357 D N 1.043 121.576 120.400 0.221 0.000 2.434 357 D HA 0.228 4.868 4.640 -0.000 0.000 0.275 357 D C -0.702 175.641 176.300 0.072 0.000 1.172 357 D CA -2.157 51.947 54.000 0.173 0.000 0.916 357 D CB 0.902 41.791 40.800 0.149 0.000 1.041 357 D HN -0.055 nan 8.370 nan 0.000 0.501 358 P HA -0.159 nan 4.420 nan 0.000 0.231 358 P C 0.261 177.260 177.300 -0.501 0.000 1.154 358 P CA 0.909 63.824 63.100 -0.309 0.000 0.762 358 P CB -0.116 31.272 31.700 -0.520 0.000 0.790 359 Y N -1.126 119.242 120.300 0.113 0.000 2.445 359 Y HA 0.466 5.016 4.550 -0.000 0.000 0.247 359 Y C 1.671 177.677 175.900 0.177 0.000 1.129 359 Y CA -0.539 57.644 58.100 0.138 0.000 1.251 359 Y CB -0.487 38.058 38.460 0.142 0.000 1.176 359 Y HN -0.108 nan 8.280 nan 0.000 0.522 360 A N 1.536 124.511 122.820 0.258 0.000 2.483 360 A HA 0.488 4.808 4.320 -0.000 0.000 0.238 360 A C 0.314 177.993 177.584 0.159 0.000 1.070 360 A CA -0.061 52.086 52.037 0.183 0.000 0.770 360 A CB 0.320 19.352 19.000 0.053 0.000 1.008 360 A HN 0.159 nan 8.150 nan 0.000 0.497 361 R N 0.220 120.781 120.500 0.101 0.000 2.867 361 R HA 0.520 4.860 4.340 -0.000 0.000 0.268 361 R C 0.403 176.659 176.300 -0.072 0.000 1.014 361 R CA -0.171 55.927 56.100 -0.002 0.000 0.946 361 R CB 1.438 31.696 30.300 -0.069 0.000 1.208 361 R HN 0.967 nan 8.270 nan 0.000 0.477 362 G N 0.093 108.877 108.800 -0.025 0.000 2.414 362 G HA2 0.401 4.361 3.960 -0.000 0.000 0.236 362 G HA3 0.401 4.361 3.960 -0.000 0.000 0.236 362 G C -0.753 174.050 174.900 -0.162 0.000 1.293 362 G CA 0.218 45.376 45.100 0.098 0.000 0.869 362 G HN 0.577 nan 8.290 nan 0.000 0.556 363 A N 1.856 124.598 122.820 -0.130 0.000 2.520 363 A HA 0.691 5.011 4.320 -0.000 0.000 0.298 363 A C -0.536 176.835 177.584 -0.355 0.000 1.051 363 A CA -0.686 51.122 52.037 -0.381 0.000 0.690 363 A CB 1.334 19.942 19.000 -0.653 0.000 1.281 363 A HN 0.653 nan 8.150 nan 0.000 0.402 364 I N 1.197 121.477 120.570 -0.483 0.000 2.412 364 I HA 0.633 4.803 4.170 -0.000 0.000 0.296 364 I C -1.136 174.729 176.117 -0.420 0.000 0.987 364 I CA -0.277 60.879 61.300 -0.239 0.000 1.180 364 I CB 1.341 39.299 38.000 -0.070 0.000 1.340 364 I HN 0.577 nan 8.210 nan 0.000 0.455 365 F N 0.829 120.811 119.950 0.052 0.000 2.613 365 F HA 0.608 5.135 4.527 -0.000 0.000 0.314 365 F C 0.887 176.730 175.800 0.071 0.000 1.075 365 F CA -0.756 57.269 58.000 0.041 0.000 0.945 365 F CB 1.784 40.795 39.000 0.018 0.000 1.310 365 F HN 0.672 nan 8.300 nan 0.000 0.467 366 G N 1.618 110.584 108.800 0.277 0.000 2.225 366 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.264 366 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.264 366 G C -0.383 174.577 174.900 0.099 0.000 1.060 366 G CA -0.414 44.788 45.100 0.171 0.000 0.833 366 G HN 0.554 nan 8.290 nan 0.000 0.498 367 L N -0.140 121.128 121.223 0.076 0.000 2.461 367 L HA 0.578 4.918 4.340 -0.000 0.000 0.272 367 L C 0.873 177.755 176.870 0.020 0.000 1.197 367 L CA 0.391 55.251 54.840 0.033 0.000 0.836 367 L CB 1.124 43.194 42.059 0.018 0.000 1.105 367 L HN 0.220 nan 8.230 nan 0.000 0.477 368 T N 0.752 115.306 114.554 -0.000 0.000 2.923 368 T HA 0.262 4.612 4.350 -0.000 0.000 0.311 368 T C 0.684 175.380 174.700 -0.007 0.000 1.183 368 T CA -0.730 61.368 62.100 -0.003 0.000 1.020 368 T CB 1.593 70.454 68.868 -0.011 0.000 1.165 368 T HN 0.597 nan 8.240 nan 0.000 0.482 369 R N 1.349 121.849 120.500 0.001 0.000 2.211 369 R HA -0.042 4.298 4.340 -0.000 0.000 0.240 369 R C 1.939 178.244 176.300 0.009 0.000 1.144 369 R CA 1.352 57.456 56.100 0.005 0.000 0.992 369 R CB -0.290 30.015 30.300 0.008 0.000 0.869 369 R HN 0.558 nan 8.270 nan 0.000 0.462 370 G N 1.092 109.893 108.800 0.001 0.000 3.026 370 G HA2 0.111 4.071 3.960 -0.000 0.000 0.208 370 G HA3 0.111 4.071 3.960 -0.000 0.000 0.208 370 G C 0.256 175.178 174.900 0.038 0.000 1.169 370 G CA -0.330 44.782 45.100 0.020 0.000 0.788 370 G HN 0.014 nan 8.290 nan 0.000 0.533 371 V N 1.947 121.862 119.914 0.003 0.000 2.508 371 V HA 0.240 4.360 4.120 -0.000 0.000 0.281 371 V C 0.146 176.372 176.094 0.220 0.000 1.041 371 V CA -0.650 61.670 62.300 0.033 0.000 1.016 371 V CB 0.466 32.273 31.823 -0.028 0.000 0.984 371 V HN 0.617 nan 8.190 nan 0.000 0.478 372 N N 4.058 123.104 118.700 0.576 0.000 2.531 372 N HA 0.630 5.370 4.740 -0.000 0.000 0.290 372 N C 0.823 176.374 175.510 0.069 0.000 1.257 372 N CA -0.255 52.906 53.050 0.185 0.000 0.863 372 N CB 1.444 39.948 38.487 0.028 0.000 1.320 372 N HN 0.435 nan 8.380 nan 0.000 0.538 373 A N 0.048 122.843 122.820 -0.040 0.000 1.986 373 A HA -0.259 4.061 4.320 -0.000 0.000 0.220 373 A C 1.464 178.963 177.584 -0.142 0.000 1.171 373 A CA 1.768 53.746 52.037 -0.098 0.000 0.640 373 A CB -1.049 17.863 19.000 -0.147 0.000 0.811 373 A HN 0.729 nan 8.150 nan 0.000 0.451 374 N N -0.526 118.055 118.700 -0.198 0.000 2.216 374 N HA -0.079 4.660 4.740 -0.000 0.000 0.183 374 N C 1.386 176.773 175.510 -0.206 0.000 1.017 374 N CA 1.654 54.567 53.050 -0.227 0.000 0.861 374 N CB -0.681 37.648 38.487 -0.263 0.000 0.986 374 N HN 0.783 nan 8.380 nan 0.000 0.428 375 H N 0.289 119.323 119.070 -0.059 0.000 2.387 375 H HA 0.031 4.587 4.556 0.000 0.000 0.299 375 H C 1.582 176.886 175.328 -0.040 0.000 1.090 375 H CA 0.767 56.784 56.048 -0.051 0.000 1.332 375 H CB 0.054 29.799 29.762 -0.028 0.000 1.386 375 H HN 0.072 nan 8.280 nan 0.000 0.516 376 I N 0.778 121.407 120.570 0.098 0.000 2.163 376 I HA -0.245 3.925 4.170 -0.000 0.000 0.243 376 I C 2.349 178.494 176.117 0.046 0.000 1.085 376 I CA 1.252 62.597 61.300 0.076 0.000 1.347 376 I CB -1.013 37.025 38.000 0.063 0.000 1.044 376 I HN 0.328 nan 8.210 nan 0.000 0.408 377 I N 0.180 120.741 120.570 -0.016 0.000 2.091 377 I HA -0.379 3.791 4.170 -0.000 0.000 0.239 377 I C 2.826 178.915 176.117 -0.045 0.000 1.061 377 I CA 1.639 62.919 61.300 -0.034 0.000 1.317 377 I CB -0.439 37.513 38.000 -0.079 0.000 1.031 377 I HN 0.226 nan 8.210 nan 0.000 0.401 378 R N 1.213 121.656 120.500 -0.095 0.000 2.094 378 R HA -0.250 4.090 4.340 -0.000 0.000 0.239 378 R C 2.400 178.646 176.300 -0.090 0.000 1.137 378 R CA 2.106 58.110 56.100 -0.160 0.000 0.943 378 R CB -0.489 29.692 30.300 -0.198 0.000 0.850 378 R HN 0.381 nan 8.270 nan 0.000 0.433 379 A N 0.015 122.818 122.820 -0.028 0.000 1.915 379 A HA -0.270 4.050 4.320 -0.000 0.000 0.220 379 A C 2.264 179.881 177.584 0.054 0.000 1.198 379 A CA 2.495 54.540 52.037 0.013 0.000 0.647 379 A CB -1.365 17.675 19.000 0.067 0.000 0.825 379 A HN 0.590 nan 8.150 nan 0.000 0.456 380 T N 0.424 115.019 114.554 0.068 0.000 2.652 380 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 380 T C 1.823 176.550 174.700 0.044 0.000 1.039 380 T CA 1.569 63.720 62.100 0.085 0.000 1.153 380 T CB -0.457 68.480 68.868 0.114 0.000 0.863 380 T HN 0.404 nan 8.240 nan 0.000 0.428 381 L N 0.698 121.928 121.223 0.012 0.000 1.970 381 L HA -0.145 4.194 4.340 -0.000 0.000 0.212 381 L C 2.834 179.671 176.870 -0.056 0.000 1.071 381 L CA 1.636 56.483 54.840 0.011 0.000 0.751 381 L CB -0.751 41.347 42.059 0.066 0.000 0.889 381 L HN 0.335 nan 8.230 nan 0.000 0.432 382 E N 0.182 120.268 120.200 -0.189 0.000 2.086 382 E HA -0.327 4.022 4.350 -0.000 0.000 0.205 382 E C 2.261 178.741 176.600 -0.200 0.000 1.027 382 E CA 2.143 58.263 56.400 -0.467 0.000 0.830 382 E CB -0.218 29.147 29.700 -0.559 0.000 0.751 382 E HN 0.557 nan 8.360 nan 0.000 0.456 383 S N 0.778 116.499 115.700 0.034 0.000 2.402 383 S HA -0.183 4.287 4.470 -0.000 0.000 0.233 383 S C 2.053 176.610 174.600 -0.071 0.000 1.030 383 S CA 1.102 59.367 58.200 0.108 0.000 1.003 383 S CB -0.568 62.794 63.200 0.271 0.000 0.813 383 S HN 0.245 nan 8.310 nan 0.000 0.477 384 I N 2.189 122.739 120.570 -0.033 0.000 2.163 384 I HA -0.178 3.992 4.170 -0.000 0.000 0.243 384 I C 3.148 179.229 176.117 -0.059 0.000 1.085 384 I CA 1.382 62.671 61.300 -0.019 0.000 1.347 384 I CB -0.989 37.045 38.000 0.057 0.000 1.044 384 I HN 0.481 nan 8.210 nan 0.000 0.408 385 A N 0.211 122.983 122.820 -0.080 0.000 1.972 385 A HA -0.217 4.102 4.320 -0.000 0.000 0.219 385 A C 2.141 179.543 177.584 -0.303 0.000 1.169 385 A CA 1.388 53.342 52.037 -0.138 0.000 0.635 385 A CB -0.845 18.111 19.000 -0.074 0.000 0.810 385 A HN 0.348 nan 8.150 nan 0.000 0.446 386 Y N 0.023 120.138 120.300 -0.308 0.000 2.070 386 Y HA -0.273 4.277 4.550 0.000 0.000 0.280 386 Y C 2.747 178.350 175.900 -0.495 0.000 1.148 386 Y CA 1.752 59.464 58.100 -0.646 0.000 1.125 386 Y CB -1.058 36.436 38.460 -1.610 0.000 0.975 386 Y HN 0.412 nan 8.280 nan 0.000 0.492 387 Q N -0.773 118.853 119.800 -0.290 0.000 2.062 387 Q HA -0.249 4.091 4.340 -0.000 0.000 0.209 387 Q C 2.231 178.200 176.000 -0.051 0.000 0.996 387 Q CA 2.738 58.524 55.803 -0.027 0.000 0.859 387 Q CB -0.601 28.129 28.738 -0.012 0.000 0.920 387 Q HN 0.430 nan 8.270 nan 0.000 0.415 388 T N 0.214 114.695 114.554 -0.122 0.000 2.699 388 T HA -0.245 4.105 4.350 -0.000 0.000 0.268 388 T C 1.669 176.301 174.700 -0.113 0.000 1.036 388 T CA 1.718 63.737 62.100 -0.135 0.000 1.147 388 T CB -0.256 68.535 68.868 -0.129 0.000 0.862 388 T HN 0.280 nan 8.240 nan 0.000 0.446 389 R N 1.108 121.520 120.500 -0.147 0.000 2.080 389 R HA -0.142 4.198 4.340 -0.000 0.000 0.236 389 R C 2.015 178.290 176.300 -0.042 0.000 1.137 389 R CA 2.035 58.024 56.100 -0.184 0.000 0.943 389 R CB -0.503 29.541 30.300 -0.427 0.000 0.846 389 R HN 0.244 nan 8.270 nan 0.000 0.431 390 D N -0.180 120.288 120.400 0.114 0.000 2.248 390 D HA -0.233 4.407 4.640 -0.000 0.000 0.191 390 D C 1.798 178.126 176.300 0.047 0.000 1.013 390 D CA 1.989 56.119 54.000 0.217 0.000 0.883 390 D CB -0.385 40.555 40.800 0.233 0.000 0.915 390 D HN 0.356 nan 8.370 nan 0.000 0.448 391 V N -0.208 119.696 119.914 -0.016 0.000 2.500 391 V HA -0.019 4.101 4.120 -0.000 0.000 0.243 391 V C 2.362 178.444 176.094 -0.020 0.000 1.039 391 V CA 0.921 63.197 62.300 -0.039 0.000 1.053 391 V CB -0.488 31.296 31.823 -0.066 0.000 0.695 391 V HN 0.172 nan 8.190 nan 0.000 0.463 392 L N 1.271 122.474 121.223 -0.034 0.000 2.021 392 L HA -0.247 4.093 4.340 -0.000 0.000 0.215 392 L C 2.686 179.548 176.870 -0.012 0.000 1.074 392 L CA 2.917 57.738 54.840 -0.032 0.000 0.760 392 L CB -0.699 41.328 42.059 -0.054 0.000 0.889 392 L HN 0.533 nan 8.230 nan 0.000 0.433 393 E N 0.190 120.390 120.200 0.000 0.000 2.038 393 E HA -0.273 4.077 4.350 -0.000 0.000 0.195 393 E C 2.232 178.845 176.600 0.023 0.000 1.000 393 E CA 1.229 57.642 56.400 0.021 0.000 0.803 393 E CB -0.538 29.196 29.700 0.057 0.000 0.750 393 E HN 0.715 nan 8.360 nan 0.000 0.448 394 A N 1.786 124.619 122.820 0.022 0.000 1.903 394 A HA -0.298 4.022 4.320 -0.000 0.000 0.219 394 A C 2.261 179.860 177.584 0.025 0.000 1.191 394 A CA 2.233 54.285 52.037 0.024 0.000 0.638 394 A CB -0.694 18.320 19.000 0.023 0.000 0.823 394 A HN 0.247 nan 8.150 nan 0.000 0.451 395 M N 0.179 119.791 119.600 0.019 0.000 2.226 395 M HA -0.333 4.147 4.480 -0.000 0.000 0.257 395 M C 2.294 178.602 176.300 0.014 0.000 1.070 395 M CA 2.695 58.007 55.300 0.019 0.000 1.087 395 M CB -0.658 31.948 32.600 0.010 0.000 1.278 395 M HN 0.602 nan 8.290 nan 0.000 0.426 396 Q N -0.411 119.392 119.800 0.006 0.000 2.124 396 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 396 Q C 2.182 178.187 176.000 0.010 0.000 0.977 396 Q CA 1.536 57.340 55.803 0.002 0.000 0.850 396 Q CB -0.792 27.944 28.738 -0.002 0.000 0.901 396 Q HN 0.706 nan 8.270 nan 0.000 0.429 397 A N 2.611 125.442 122.820 0.017 0.000 1.852 397 A HA -0.309 4.010 4.320 -0.000 0.000 0.217 397 A C 1.831 179.426 177.584 0.018 0.000 1.215 397 A CA 2.166 54.216 52.037 0.021 0.000 0.641 397 A CB -0.885 18.131 19.000 0.027 0.000 0.838 397 A HN 0.305 nan 8.150 nan 0.000 0.450 398 D N -0.233 120.180 120.400 0.021 0.000 2.108 398 D HA -0.167 4.473 4.640 -0.000 0.000 0.190 398 D C 2.546 178.854 176.300 0.013 0.000 0.995 398 D CA 2.339 56.350 54.000 0.019 0.000 0.834 398 D CB -0.700 40.116 40.800 0.027 0.000 0.967 398 D HN 0.596 nan 8.370 nan 0.000 0.446 399 S N -0.037 115.670 115.700 0.012 0.000 2.387 399 S HA -0.087 4.383 4.470 -0.000 0.000 0.230 399 S C 1.794 176.395 174.600 0.001 0.000 1.035 399 S CA 1.546 59.750 58.200 0.007 0.000 1.014 399 S CB -0.799 62.403 63.200 0.003 0.000 0.836 399 S HN 0.480 nan 8.310 nan 0.000 0.466 400 G N 1.123 109.924 108.800 0.001 0.000 2.314 400 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.292 400 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.292 400 G C -0.235 174.658 174.900 -0.011 0.000 1.059 400 G CA 0.449 45.549 45.100 -0.002 0.000 0.982 400 G HN 0.690 nan 8.290 nan 0.000 0.505 401 I N -0.647 119.910 120.570 -0.021 0.000 2.586 401 I HA 0.326 4.496 4.170 -0.000 0.000 0.288 401 I C 0.271 176.344 176.117 -0.072 0.000 1.147 401 I CA -0.901 60.371 61.300 -0.047 0.000 1.047 401 I CB 1.821 39.794 38.000 -0.045 0.000 1.244 401 I HN -0.023 nan 8.210 nan 0.000 0.429 402 R N 5.882 126.312 120.500 -0.118 0.000 2.248 402 R HA 0.409 4.749 4.340 -0.000 0.000 0.337 402 R C -1.037 175.076 176.300 -0.312 0.000 1.106 402 R CA -0.861 55.144 56.100 -0.158 0.000 0.959 402 R CB 0.502 30.739 30.300 -0.106 0.000 1.075 402 R HN 0.382 nan 8.270 nan 0.000 0.480 403 L N 2.918 124.035 121.223 -0.176 0.000 2.416 403 L HA 0.109 4.449 4.340 -0.000 0.000 0.272 403 L C 1.286 178.081 176.870 -0.125 0.000 1.161 403 L CA 0.395 55.133 54.840 -0.170 0.000 0.845 403 L CB 0.351 42.371 42.059 -0.065 0.000 1.119 403 L HN 0.563 nan 8.230 nan 0.000 0.464 404 H N 1.360 120.430 119.070 0.000 0.000 2.622 404 H HA 0.594 5.150 4.556 -0.000 0.000 0.269 404 H C 0.116 175.443 175.328 -0.001 0.000 0.977 404 H CA 0.168 56.214 56.048 -0.003 0.000 1.179 404 H CB 0.679 30.440 29.762 -0.001 0.000 1.458 404 H HN 0.706 nan 8.280 nan 0.000 0.531 405 A N 1.077 123.957 122.820 0.101 0.000 2.566 405 A HA 0.438 4.758 4.320 -0.000 0.000 0.297 405 A C -1.803 175.805 177.584 0.041 0.000 1.059 405 A CA -0.622 51.454 52.037 0.066 0.000 0.691 405 A CB 1.328 20.368 19.000 0.066 0.000 1.282 405 A HN 0.172 nan 8.150 nan 0.000 0.401 406 L N 2.122 123.370 121.223 0.041 0.000 2.305 406 L HA 0.639 4.979 4.340 -0.000 0.000 0.284 406 L C 0.121 177.025 176.870 0.057 0.000 1.013 406 L CA -0.688 54.176 54.840 0.040 0.000 0.819 406 L CB 1.391 43.470 42.059 0.033 0.000 1.227 406 L HN 0.938 nan 8.230 nan 0.000 0.417 407 R N 4.721 125.254 120.500 0.056 0.000 2.229 407 R HA 0.556 4.895 4.340 -0.000 0.000 0.328 407 R C -0.788 175.568 176.300 0.094 0.000 1.009 407 R CA -0.486 55.654 56.100 0.067 0.000 0.864 407 R CB 1.232 31.562 30.300 0.051 0.000 1.085 407 R HN 0.497 nan 8.270 nan 0.000 0.453 408 V N 0.773 120.755 119.914 0.113 0.000 3.345 408 V HA 0.735 4.855 4.120 -0.000 0.000 0.308 408 V C -0.786 175.393 176.094 0.143 0.000 1.168 408 V CA -0.401 62.006 62.300 0.179 0.000 1.024 408 V CB 1.835 33.809 31.823 0.251 0.000 1.211 408 V HN 1.071 nan 8.190 nan 0.000 0.461 409 D N -1.590 118.930 120.400 0.201 0.000 2.926 409 D HA 0.493 5.133 4.640 -0.000 0.000 0.272 409 D C -0.404 176.029 176.300 0.221 0.000 1.172 409 D CA 0.303 54.395 54.000 0.153 0.000 0.731 409 D CB 0.940 41.804 40.800 0.107 0.000 1.282 409 D HN 2.170 nan 8.370 nan 0.000 0.430 410 G N -1.402 107.492 108.800 0.157 0.000 2.484 410 G HA2 0.426 4.386 3.960 -0.000 0.000 0.685 410 G HA3 0.426 4.386 3.960 -0.000 0.000 0.685 410 G C 0.761 175.739 174.900 0.131 0.000 1.294 410 G CA 0.213 45.417 45.100 0.173 0.000 0.879 410 G HN 1.126 nan 8.290 nan 0.000 0.646 411 G N 0.594 109.471 108.800 0.129 0.000 2.649 411 G HA2 0.083 4.043 3.960 -0.000 0.000 0.220 411 G HA3 0.083 4.043 3.960 -0.000 0.000 0.220 411 G C 2.164 177.118 174.900 0.089 0.000 1.189 411 G CA 3.112 48.276 45.100 0.107 0.000 0.777 411 G HN 2.206 nan 8.290 nan 0.000 0.602 412 A N 0.165 123.043 122.820 0.096 0.000 2.225 412 A HA 0.175 4.494 4.320 -0.000 0.000 0.215 412 A C 2.441 179.977 177.584 -0.078 0.000 1.164 412 A CA 1.772 53.834 52.037 0.041 0.000 0.710 412 A CB -0.540 18.507 19.000 0.079 0.000 0.780 412 A HN 1.142 nan 8.150 nan 0.000 0.473 413 V N -3.504 116.351 119.914 -0.097 0.000 3.444 413 V HA 0.194 4.313 4.120 -0.000 0.000 0.271 413 V C 1.884 177.928 176.094 -0.084 0.000 1.188 413 V CA 1.323 63.503 62.300 -0.200 0.000 1.168 413 V CB -1.021 30.706 31.823 -0.159 0.000 0.810 413 V HN 0.448 nan 8.190 nan 0.000 0.500 414 A N 0.931 123.747 122.820 -0.006 0.000 2.067 414 A HA 0.016 4.336 4.320 -0.000 0.000 0.217 414 A C 1.404 179.021 177.584 0.055 0.000 1.156 414 A CA 0.881 52.952 52.037 0.056 0.000 0.683 414 A CB -0.864 18.201 19.000 0.108 0.000 0.808 414 A HN 0.676 nan 8.150 nan 0.000 0.455 415 N N 1.078 119.773 118.700 -0.007 0.000 2.421 415 N HA 0.045 4.785 4.740 -0.000 0.000 0.260 415 N C 0.780 176.255 175.510 -0.059 0.000 1.173 415 N CA -0.119 52.922 53.050 -0.015 0.000 0.960 415 N CB 0.152 38.629 38.487 -0.016 0.000 1.273 415 N HN 0.323 nan 8.380 nan 0.000 0.497 416 N N 2.514 121.234 118.700 0.034 0.000 2.216 416 N HA -0.175 4.565 4.740 -0.000 0.000 0.183 416 N C 1.357 176.880 175.510 0.022 0.000 1.017 416 N CA 0.822 53.915 53.050 0.072 0.000 0.861 416 N CB -0.186 38.454 38.487 0.255 0.000 0.986 416 N HN 0.571 nan 8.380 nan 0.000 0.428 417 F N 2.609 122.533 119.950 -0.043 0.000 2.095 417 F HA -0.150 4.377 4.527 -0.000 0.000 0.298 417 F C 2.278 178.038 175.800 -0.068 0.000 1.104 417 F CA 1.056 59.034 58.000 -0.037 0.000 1.232 417 F CB -0.508 38.456 39.000 -0.060 0.000 0.987 417 F HN -0.075 nan 8.300 nan 0.000 0.475 418 L N -0.104 121.065 121.223 -0.089 0.000 1.956 418 L HA -0.313 4.027 4.340 -0.000 0.000 0.216 418 L C 2.571 179.201 176.870 -0.401 0.000 1.073 418 L CA 1.955 56.667 54.840 -0.214 0.000 0.762 418 L CB -0.553 41.442 42.059 -0.106 0.000 0.889 418 L HN 0.264 nan 8.230 nan 0.000 0.433 419 M N -0.722 118.565 119.600 -0.521 0.000 2.113 419 M HA -0.323 4.157 4.480 -0.000 0.000 0.255 419 M C 2.193 178.010 176.300 -0.805 0.000 1.073 419 M CA 2.053 56.837 55.300 -0.859 0.000 1.091 419 M CB -1.380 30.350 32.600 -1.450 0.000 1.309 419 M HN 0.349 nan 8.290 nan 0.000 0.407 420 Q N -0.195 119.230 119.800 -0.625 0.000 2.020 420 Q HA -0.170 4.169 4.340 -0.000 0.000 0.202 420 Q C 1.958 177.786 176.000 -0.287 0.000 0.982 420 Q CA 1.842 57.507 55.803 -0.230 0.000 0.838 420 Q CB -0.784 27.966 28.738 0.021 0.000 0.899 420 Q HN 0.435 nan 8.270 nan 0.000 0.423 421 F N 0.871 120.458 119.950 -0.605 0.000 2.154 421 F HA -0.277 4.250 4.527 -0.000 0.000 0.301 421 F C 2.225 177.770 175.800 -0.425 0.000 1.087 421 F CA 2.182 59.819 58.000 -0.605 0.000 1.274 421 F CB -0.423 38.005 39.000 -0.953 0.000 1.009 421 F HN 0.283 nan 8.300 nan 0.000 0.485 422 Q N 0.510 120.083 119.800 -0.380 0.000 2.050 422 Q HA -0.206 4.134 4.340 -0.000 0.000 0.202 422 Q C 2.478 178.270 176.000 -0.347 0.000 0.980 422 Q CA 2.537 58.127 55.803 -0.354 0.000 0.840 422 Q CB -0.681 27.909 28.738 -0.246 0.000 0.898 422 Q HN 0.454 nan 8.270 nan 0.000 0.424 423 S N -0.438 115.094 115.700 -0.279 0.000 2.402 423 S HA -0.151 4.319 4.470 -0.000 0.000 0.229 423 S C 1.314 175.781 174.600 -0.221 0.000 1.021 423 S CA 1.282 59.374 58.200 -0.180 0.000 0.974 423 S CB -0.455 62.710 63.200 -0.058 0.000 0.800 423 S HN 0.479 nan 8.310 nan 0.000 0.484 424 D N 1.293 121.506 120.400 -0.311 0.000 2.097 424 D HA -0.028 4.611 4.640 -0.000 0.000 0.197 424 D C 1.820 177.899 176.300 -0.369 0.000 0.984 424 D CA 1.023 54.836 54.000 -0.311 0.000 0.826 424 D CB -0.499 40.103 40.800 -0.330 0.000 0.973 424 D HN 0.463 nan 8.370 nan 0.000 0.460 425 I N 0.483 120.699 120.570 -0.590 0.000 2.614 425 I HA -0.180 3.990 4.170 -0.000 0.000 0.258 425 I C 1.854 177.752 176.117 -0.365 0.000 1.189 425 I CA 0.508 61.490 61.300 -0.530 0.000 1.462 425 I CB 0.144 37.643 38.000 -0.836 0.000 1.092 425 I HN -0.101 nan 8.210 nan 0.000 0.442 426 L N 0.698 121.731 121.223 -0.317 0.000 2.068 426 L HA 0.227 4.567 4.340 -0.000 0.000 0.204 426 L C 1.695 178.477 176.870 -0.147 0.000 1.076 426 L CA 1.646 56.352 54.840 -0.224 0.000 0.753 426 L CB -1.558 40.393 42.059 -0.180 0.000 0.910 426 L HN 0.402 nan 8.230 nan 0.000 0.439 427 G N -0.210 108.514 108.800 -0.128 0.000 2.255 427 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.239 427 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.239 427 G C 0.234 175.106 174.900 -0.047 0.000 1.083 427 G CA 0.351 45.405 45.100 -0.078 0.000 0.826 427 G HN 0.388 nan 8.290 nan 0.000 0.493 428 T N -0.616 113.908 114.554 -0.050 0.000 2.868 428 T HA 0.606 4.956 4.350 -0.000 0.000 0.306 428 T C 0.230 174.929 174.700 -0.003 0.000 1.224 428 T CA -0.406 61.686 62.100 -0.012 0.000 1.012 428 T CB 1.578 70.443 68.868 -0.006 0.000 1.221 428 T HN 0.790 nan 8.240 nan 0.000 0.499 429 R N 1.218 121.732 120.500 0.024 0.000 2.539 429 R HA 0.630 4.970 4.340 -0.000 0.000 0.275 429 R C -1.285 175.048 176.300 0.055 0.000 1.077 429 R CA -0.348 55.777 56.100 0.041 0.000 1.097 429 R CB 0.391 30.714 30.300 0.038 0.000 1.018 429 R HN 0.318 nan 8.270 nan 0.000 0.483 430 V N 3.167 123.139 119.914 0.097 0.000 2.448 430 V HA 0.231 4.351 4.120 -0.000 0.000 0.295 430 V C -0.507 175.683 176.094 0.160 0.000 1.025 430 V CA -0.741 61.617 62.300 0.096 0.000 0.859 430 V CB 1.611 33.450 31.823 0.027 0.000 0.988 430 V HN 0.834 nan 8.190 nan 0.000 0.431 431 E N 4.026 124.293 120.200 0.111 0.000 2.113 431 E HA 0.438 4.788 4.350 -0.000 0.000 0.273 431 E C -0.360 176.304 176.600 0.107 0.000 0.924 431 E CA -0.542 55.923 56.400 0.108 0.000 0.764 431 E CB 1.781 31.523 29.700 0.070 0.000 1.104 431 E HN 0.446 nan 8.360 nan 0.000 0.406 432 R N 4.888 125.470 120.500 0.136 0.000 2.233 432 R HA 0.230 4.569 4.340 -0.000 0.000 0.334 432 R C -2.290 174.060 176.300 0.083 0.000 1.037 432 R CA -2.201 53.969 56.100 0.117 0.000 0.920 432 R CB 0.550 30.954 30.300 0.174 0.000 1.137 432 R HN 0.311 nan 8.270 nan 0.000 0.492 433 P HA -0.060 nan 4.420 nan 0.000 0.270 433 P C -0.128 177.203 177.300 0.051 0.000 1.227 433 P CA 0.106 63.237 63.100 0.052 0.000 0.788 433 P CB 0.909 32.637 31.700 0.048 0.000 0.926 434 E N 0.541 120.767 120.200 0.043 0.000 2.015 434 E HA -0.073 4.277 4.350 -0.000 0.000 0.191 434 E C 0.467 177.094 176.600 0.045 0.000 0.991 434 E CA 0.808 57.233 56.400 0.041 0.000 0.802 434 E CB -0.420 29.301 29.700 0.036 0.000 0.759 434 E HN 0.224 nan 8.360 nan 0.000 0.447 435 V N 1.124 121.066 119.914 0.046 0.000 2.546 435 V HA 0.164 4.284 4.120 -0.000 0.000 0.284 435 V C 0.554 176.676 176.094 0.047 0.000 1.050 435 V CA -0.084 62.245 62.300 0.049 0.000 0.981 435 V CB 1.277 33.133 31.823 0.055 0.000 0.990 435 V HN 0.245 nan 8.190 nan 0.000 0.474 436 R N 3.011 123.540 120.500 0.047 0.000 2.250 436 R HA 0.177 4.517 4.340 -0.000 0.000 0.194 436 R C 0.488 176.814 176.300 0.042 0.000 0.927 436 R CA 0.067 56.196 56.100 0.048 0.000 1.052 436 R CB 0.364 30.696 30.300 0.053 0.000 1.055 436 R HN 0.708 nan 8.270 nan 0.000 0.537 437 E N 1.883 122.105 120.200 0.036 0.000 2.773 437 E HA 0.005 4.355 4.350 -0.000 0.000 0.302 437 E C 1.030 177.628 176.600 -0.003 0.000 1.574 437 E CA -0.143 56.272 56.400 0.025 0.000 1.775 437 E CB -0.100 29.617 29.700 0.028 0.000 1.413 437 E HN -0.079 nan 8.360 nan 0.000 0.471 438 V N 0.318 120.232 119.914 -0.000 0.000 2.490 438 V HA -0.284 3.836 4.120 -0.000 0.000 0.250 438 V C 1.978 178.030 176.094 -0.070 0.000 1.061 438 V CA 2.136 64.417 62.300 -0.031 0.000 1.064 438 V CB -0.076 31.748 31.823 0.002 0.000 0.670 438 V HN 0.549 nan 8.190 nan 0.000 0.461 439 T N -0.461 114.071 114.554 -0.036 0.000 2.668 439 T HA -0.076 4.274 4.350 -0.000 0.000 0.258 439 T C 1.977 176.628 174.700 -0.080 0.000 1.051 439 T CA 1.524 63.598 62.100 -0.045 0.000 1.155 439 T CB -0.378 68.485 68.868 -0.009 0.000 0.864 439 T HN 0.589 nan 8.240 nan 0.000 0.413 440 A N 1.243 124.033 122.820 -0.050 0.000 1.958 440 A HA -0.096 4.224 4.320 -0.000 0.000 0.221 440 A C 2.302 179.821 177.584 -0.108 0.000 1.178 440 A CA 1.476 53.486 52.037 -0.046 0.000 0.642 440 A CB -1.074 17.923 19.000 -0.005 0.000 0.816 440 A HN 0.530 nan 8.150 nan 0.000 0.453 441 L N -0.925 120.195 121.223 -0.171 0.000 1.963 441 L HA -0.261 4.079 4.340 -0.000 0.000 0.220 441 L C 2.791 179.178 176.870 -0.804 0.000 1.076 441 L CA 1.571 56.178 54.840 -0.387 0.000 0.772 441 L CB -1.217 40.644 42.059 -0.330 0.000 0.892 441 L HN 0.543 nan 8.230 nan 0.000 0.435 442 G N -0.797 107.660 108.800 -0.572 0.000 2.912 442 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.214 442 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.214 442 G C 1.593 176.373 174.900 -0.199 0.000 1.341 442 G CA 1.592 46.498 45.100 -0.323 0.000 0.794 442 G HN 0.573 nan 8.290 nan 0.000 0.691 443 A N 0.777 123.531 122.820 -0.111 0.000 1.944 443 A HA -0.103 4.217 4.320 -0.000 0.000 0.222 443 A C 2.857 180.446 177.584 0.009 0.000 1.237 443 A CA 3.541 55.549 52.037 -0.048 0.000 0.668 443 A CB -1.243 17.742 19.000 -0.024 0.000 0.830 443 A HN 1.448 nan 8.150 nan 0.000 0.471 444 A N -0.944 121.886 122.820 0.016 0.000 1.837 444 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 444 A C 2.005 179.733 177.584 0.239 0.000 1.210 444 A CA 1.888 54.001 52.037 0.126 0.000 0.632 444 A CB -1.198 17.900 19.000 0.165 0.000 0.843 444 A HN 0.630 nan 8.150 nan 0.000 0.448 445 Y N -0.598 119.707 120.300 0.008 0.000 1.997 445 Y HA -0.278 4.271 4.550 -0.000 0.000 0.265 445 Y C 2.339 178.298 175.900 0.098 0.000 1.193 445 Y CA 1.146 59.233 58.100 -0.022 0.000 1.106 445 Y CB -1.835 36.628 38.460 0.004 0.000 0.940 445 Y HN 0.206 nan 8.280 nan 0.000 0.494 446 L N -0.084 121.278 121.223 0.233 0.000 1.976 446 L HA -0.307 4.033 4.340 -0.000 0.000 0.223 446 L C 2.661 179.584 176.870 0.088 0.000 1.081 446 L CA 2.378 57.245 54.840 0.044 0.000 0.784 446 L CB -1.530 40.451 42.059 -0.130 0.000 0.896 446 L HN 0.291 nan 8.230 nan 0.000 0.438 447 A N -1.111 121.767 122.820 0.096 0.000 1.873 447 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 447 A C 2.355 180.014 177.584 0.125 0.000 1.193 447 A CA 2.119 54.211 52.037 0.091 0.000 0.629 447 A CB -1.471 17.577 19.000 0.081 0.000 0.826 447 A HN 0.522 nan 8.150 nan 0.000 0.447 448 G N -0.918 108.008 108.800 0.211 0.000 2.394 448 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.215 448 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.215 448 G C 1.419 176.555 174.900 0.394 0.000 1.165 448 G CA 0.917 46.201 45.100 0.307 0.000 0.784 448 G HN 0.397 nan 8.290 nan 0.000 0.535 449 L N 1.344 122.787 121.223 0.365 0.000 2.187 449 L HA 0.051 4.391 4.340 -0.000 0.000 0.213 449 L C 2.961 179.947 176.870 0.194 0.000 1.100 449 L CA 1.658 56.676 54.840 0.297 0.000 0.765 449 L CB -0.290 41.910 42.059 0.236 0.000 0.904 449 L HN 0.250 nan 8.230 nan 0.000 0.437 450 A N -2.264 120.638 122.820 0.138 0.000 2.119 450 A HA -0.012 4.307 4.320 -0.000 0.000 0.217 450 A C 1.914 179.530 177.584 0.052 0.000 1.153 450 A CA 1.281 53.348 52.037 0.051 0.000 0.692 450 A CB -0.203 18.782 19.000 -0.025 0.000 0.799 450 A HN 0.212 nan 8.150 nan 0.000 0.458 451 V N -0.982 119.003 119.914 0.118 0.000 3.070 451 V HA 0.421 4.541 4.120 -0.000 0.000 0.345 451 V C 1.209 177.389 176.094 0.142 0.000 1.403 451 V CA 0.745 63.112 62.300 0.112 0.000 1.155 451 V CB -0.410 31.485 31.823 0.119 0.000 1.140 451 V HN 1.057 nan 8.190 nan 0.000 0.505 452 G N 0.562 109.456 108.800 0.157 0.000 2.203 452 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.263 452 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.263 452 G C 0.555 175.544 174.900 0.148 0.000 1.012 452 G CA 0.835 46.015 45.100 0.133 0.000 0.749 452 G HN 0.639 nan 8.290 nan 0.000 0.512 453 F N -0.467 119.534 119.950 0.086 0.000 2.710 453 F HA 0.482 5.009 4.527 -0.000 0.000 0.298 453 F C 0.832 176.624 175.800 -0.015 0.000 1.137 453 F CA -0.127 57.868 58.000 -0.009 0.000 1.444 453 F CB 0.188 39.168 39.000 -0.033 0.000 1.111 453 F HN 0.242 nan 8.300 nan 0.000 0.580 454 W N 0.538 122.004 121.300 0.275 0.000 3.296 454 W HA 0.283 4.942 4.660 -0.000 0.000 0.314 454 W C -0.916 175.663 176.519 0.100 0.000 1.238 454 W CA -0.608 56.841 57.345 0.173 0.000 1.193 454 W CB 1.003 30.535 29.460 0.120 0.000 1.383 454 W HN -0.056 nan 8.180 nan 0.000 0.545 455 Q N 1.975 121.974 119.800 0.331 0.000 2.805 455 Q HA 0.360 4.700 4.340 -0.000 0.000 0.360 455 Q C -0.833 175.250 176.000 0.138 0.000 0.832 455 Q CA -0.351 55.565 55.803 0.189 0.000 1.020 455 Q CB 1.181 29.993 28.738 0.123 0.000 1.444 455 Q HN 0.465 nan 8.270 nan 0.000 0.391 456 N N 0.812 119.579 118.700 0.112 0.000 7.062 456 N HA -0.087 4.653 4.740 -0.000 0.000 0.097 456 N C -1.239 174.228 175.510 -0.072 0.000 0.921 456 N CA -0.422 52.647 53.050 0.032 0.000 1.240 456 N CB 0.347 38.855 38.487 0.034 0.000 1.293 456 N HN 0.271 nan 8.380 nan 0.000 1.160 457 L N 2.442 123.605 121.223 -0.099 0.000 2.747 457 L HA 0.169 4.509 4.340 -0.000 0.000 0.248 457 L C 0.362 177.125 176.870 -0.178 0.000 1.191 457 L CA 1.067 55.782 54.840 -0.208 0.000 1.003 457 L CB -1.090 40.855 42.059 -0.190 0.000 1.235 457 L HN 0.596 nan 8.230 nan 0.000 0.426 458 D N -1.481 118.849 120.400 -0.117 0.000 2.449 458 D HA -0.003 4.637 4.640 -0.000 0.000 0.210 458 D C 1.546 177.800 176.300 -0.078 0.000 1.094 458 D CA 0.164 54.114 54.000 -0.083 0.000 0.846 458 D CB 0.638 41.414 40.800 -0.040 0.000 1.003 458 D HN 0.379 nan 8.370 nan 0.000 0.504 459 E N 0.961 121.107 120.200 -0.089 0.000 2.001 459 E HA -0.137 4.212 4.350 -0.000 0.000 0.195 459 E C 1.833 178.371 176.600 -0.103 0.000 1.002 459 E CA 0.962 57.341 56.400 -0.035 0.000 0.819 459 E CB -0.119 29.619 29.700 0.063 0.000 0.769 459 E HN 0.106 nan 8.360 nan 0.000 0.454 460 L N 1.341 122.376 121.223 -0.314 0.000 2.191 460 L HA -0.163 4.177 4.340 -0.000 0.000 0.212 460 L C 2.330 179.065 176.870 -0.225 0.000 1.103 460 L CA 1.246 55.833 54.840 -0.421 0.000 0.769 460 L CB -0.760 40.623 42.059 -1.125 0.000 0.908 460 L HN 0.094 nan 8.230 nan 0.000 0.438 461 Q N 0.271 119.955 119.800 -0.193 0.000 2.294 461 Q HA -0.300 4.040 4.340 -0.000 0.000 0.215 461 Q C 1.733 177.700 176.000 -0.056 0.000 1.000 461 Q CA 1.752 57.489 55.803 -0.111 0.000 0.916 461 Q CB -0.137 28.550 28.738 -0.085 0.000 0.932 461 Q HN 0.495 nan 8.270 nan 0.000 0.420 462 E N -0.257 119.921 120.200 -0.037 0.000 2.511 462 E HA -0.046 4.304 4.350 -0.000 0.000 0.196 462 E C 1.345 177.949 176.600 0.007 0.000 1.066 462 E CA 0.336 56.732 56.400 -0.007 0.000 0.871 462 E CB 0.146 29.851 29.700 0.008 0.000 0.863 462 E HN 0.082 nan 8.360 nan 0.000 0.520 463 K N 0.030 120.433 120.400 0.005 0.000 2.167 463 K HA 0.139 4.459 4.320 -0.000 0.000 0.203 463 K C 0.577 177.193 176.600 0.027 0.000 1.052 463 K CA 0.551 56.855 56.287 0.029 0.000 0.956 463 K CB -0.111 32.421 32.500 0.054 0.000 0.735 463 K HN 0.016 nan 8.250 nan 0.000 0.451 464 A N 2.304 125.132 122.820 0.014 0.000 2.898 464 A HA 0.167 4.487 4.320 -0.000 0.000 0.288 464 A C -0.207 177.385 177.584 0.014 0.000 1.771 464 A CA 0.093 52.138 52.037 0.013 0.000 1.383 464 A CB -0.640 18.360 19.000 -0.000 0.000 1.028 464 A HN -0.064 nan 8.150 nan 0.000 0.595 465 V N 5.316 125.243 119.914 0.021 0.000 2.350 465 V HA 0.216 4.336 4.120 -0.000 0.000 0.285 465 V C 0.362 176.470 176.094 0.024 0.000 1.014 465 V CA -0.758 61.554 62.300 0.020 0.000 0.831 465 V CB 1.345 33.180 31.823 0.021 0.000 1.000 465 V HN 0.765 nan 8.190 nan 0.000 0.433 466 I N 4.512 125.095 120.570 0.022 0.000 2.496 466 I HA 0.243 4.413 4.170 -0.000 0.000 0.285 466 I C 1.145 177.276 176.117 0.022 0.000 1.080 466 I CA 0.524 61.841 61.300 0.029 0.000 1.404 466 I CB 1.361 39.380 38.000 0.032 0.000 1.403 466 I HN 0.933 nan 8.210 nan 0.000 0.539 467 E N 7.553 127.770 120.200 0.030 0.000 2.127 467 E HA -0.015 4.335 4.350 -0.000 0.000 0.191 467 E C 0.015 176.616 176.600 0.002 0.000 0.964 467 E CA 0.171 56.583 56.400 0.020 0.000 0.832 467 E CB 0.472 30.191 29.700 0.032 0.000 0.790 467 E HN 0.577 nan 8.360 nan 0.000 0.465 468 R N 1.272 121.786 120.500 0.023 0.000 2.628 468 R HA 0.259 4.599 4.340 -0.000 0.000 0.288 468 R C -1.524 174.770 176.300 -0.010 0.000 0.980 468 R CA -0.655 55.420 56.100 -0.042 0.000 0.891 468 R CB 1.515 31.794 30.300 -0.035 0.000 1.188 468 R HN 0.233 nan 8.270 nan 0.000 0.450 469 E N 4.496 124.615 120.200 -0.135 0.000 2.155 469 E HA 0.334 4.684 4.350 -0.000 0.000 0.264 469 E C -1.291 175.190 176.600 -0.199 0.000 0.886 469 E CA -0.466 55.899 56.400 -0.059 0.000 0.752 469 E CB 0.661 30.341 29.700 -0.033 0.000 1.133 469 E HN 0.302 nan 8.360 nan 0.000 0.414 470 F N 3.472 123.400 119.950 -0.037 0.000 2.411 470 F HA 0.443 4.970 4.527 -0.000 0.000 0.350 470 F C 0.406 176.174 175.800 -0.053 0.000 1.114 470 F CA -0.557 57.413 58.000 -0.051 0.000 1.135 470 F CB 1.247 40.204 39.000 -0.071 0.000 1.120 470 F HN 0.349 nan 8.300 nan 0.000 0.495 471 R N 3.701 124.247 120.500 0.078 0.000 2.562 471 R HA 0.449 4.789 4.340 -0.000 0.000 0.298 471 R C -2.742 173.570 176.300 0.020 0.000 0.961 471 R CA -2.230 53.887 56.100 0.029 0.000 0.881 471 R CB 1.037 31.332 30.300 -0.007 0.000 1.159 471 R HN 0.269 nan 8.270 nan 0.000 0.450 472 P HA -0.020 nan 4.420 nan 0.000 0.262 472 P C 0.088 177.369 177.300 -0.032 0.000 1.182 472 P CA 0.249 63.325 63.100 -0.041 0.000 0.761 472 P CB 0.718 32.383 31.700 -0.057 0.000 0.795 473 G N 2.117 110.896 108.800 -0.036 0.000 3.441 473 G HA2 0.225 4.185 3.960 -0.000 0.000 0.263 473 G HA3 0.225 4.185 3.960 -0.000 0.000 0.263 473 G C 0.015 174.905 174.900 -0.016 0.000 1.014 473 G CA 0.176 45.265 45.100 -0.018 0.000 0.833 473 G HN 0.375 nan 8.290 nan 0.000 0.514 474 I N 0.700 121.251 120.570 -0.032 0.000 2.577 474 I HA 0.386 4.556 4.170 -0.000 0.000 0.305 474 I C 0.073 176.182 176.117 -0.014 0.000 0.986 474 I CA -1.144 60.143 61.300 -0.020 0.000 1.189 474 I CB 2.047 40.023 38.000 -0.039 0.000 1.355 474 I HN -0.015 nan 8.210 nan 0.000 0.476 475 E N 1.843 122.045 120.200 0.004 0.000 2.373 475 E HA 0.049 4.399 4.350 -0.000 0.000 0.263 475 E C 0.838 177.449 176.600 0.018 0.000 1.073 475 E CA 0.130 56.536 56.400 0.010 0.000 0.894 475 E CB 1.045 30.755 29.700 0.016 0.000 1.008 475 E HN 0.671 nan 8.360 nan 0.000 0.420 476 T N 1.161 115.726 114.554 0.018 0.000 2.737 476 T HA -0.187 4.163 4.350 -0.000 0.000 0.269 476 T C 1.492 176.226 174.700 0.056 0.000 1.040 476 T CA 2.250 64.366 62.100 0.027 0.000 1.142 476 T CB -0.108 68.774 68.868 0.023 0.000 0.861 476 T HN 0.544 nan 8.240 nan 0.000 0.456 477 T N 1.741 116.331 114.554 0.060 0.000 2.614 477 T HA -0.104 4.246 4.350 -0.000 0.000 0.263 477 T C 1.825 176.613 174.700 0.148 0.000 1.055 477 T CA 1.213 63.367 62.100 0.090 0.000 1.162 477 T CB -0.502 68.400 68.868 0.057 0.000 0.863 477 T HN 0.301 nan 8.240 nan 0.000 0.414 478 E N 1.242 121.514 120.200 0.119 0.000 2.132 478 E HA -0.264 4.086 4.350 -0.000 0.000 0.218 478 E C 2.347 179.089 176.600 0.237 0.000 1.058 478 E CA 1.464 57.964 56.400 0.166 0.000 0.882 478 E CB -0.418 29.338 29.700 0.093 0.000 0.774 478 E HN 0.306 nan 8.360 nan 0.000 0.467 479 R N -0.001 120.581 120.500 0.137 0.000 2.136 479 R HA -0.190 4.150 4.340 -0.000 0.000 0.242 479 R C 1.905 178.319 176.300 0.191 0.000 1.131 479 R CA 1.995 58.157 56.100 0.102 0.000 0.937 479 R CB -0.381 29.933 30.300 0.023 0.000 0.863 479 R HN 0.245 nan 8.270 nan 0.000 0.435 480 N N -0.486 118.334 118.700 0.201 0.000 2.409 480 N HA -0.150 4.589 4.740 -0.000 0.000 0.179 480 N C 1.526 177.186 175.510 0.250 0.000 1.032 480 N CA 0.655 53.846 53.050 0.235 0.000 0.898 480 N CB -0.380 38.216 38.487 0.182 0.000 0.971 480 N HN 0.319 nan 8.380 nan 0.000 0.441 481 Y N 3.351 123.745 120.300 0.156 0.000 2.097 481 Y HA -0.202 4.347 4.550 -0.001 0.000 0.282 481 Y C 2.216 178.248 175.900 0.221 0.000 1.152 481 Y CA 1.728 59.919 58.100 0.153 0.000 1.136 481 Y CB -0.051 38.488 38.460 0.131 0.000 0.975 481 Y HN -0.086 nan 8.280 nan 0.000 0.498 482 R N -0.710 119.893 120.500 0.171 0.000 2.080 482 R HA -0.248 4.092 4.340 -0.000 0.000 0.236 482 R C 2.135 178.614 176.300 0.299 0.000 1.137 482 R CA 1.824 58.101 56.100 0.295 0.000 0.943 482 R CB -1.954 28.689 30.300 0.570 0.000 0.846 482 R HN 0.445 nan 8.270 nan 0.000 0.431 483 Y N 1.878 122.282 120.300 0.173 0.000 2.139 483 Y HA -0.253 4.297 4.550 0.000 0.000 0.282 483 Y C 2.497 178.387 175.900 -0.017 0.000 1.179 483 Y CA 0.979 59.142 58.100 0.105 0.000 1.161 483 Y CB -0.851 37.697 38.460 0.146 0.000 0.970 483 Y HN 0.175 nan 8.280 nan 0.000 0.511 484 A N -0.251 122.545 122.820 -0.040 0.000 1.859 484 A HA -0.194 4.125 4.320 -0.000 0.000 0.217 484 A C 2.677 180.032 177.584 -0.382 0.000 1.198 484 A CA 2.226 54.132 52.037 -0.218 0.000 0.629 484 A CB -1.664 17.231 19.000 -0.176 0.000 0.830 484 A HN 0.533 nan 8.150 nan 0.000 0.446 485 G N -1.174 107.349 108.800 -0.463 0.000 2.505 485 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.220 485 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.220 485 G C 1.488 175.667 174.900 -1.201 0.000 1.145 485 G CA 1.118 45.722 45.100 -0.827 0.000 0.761 485 G HN 0.737 nan 8.290 nan 0.000 0.571 486 W N 1.744 122.341 121.300 -1.171 0.000 2.298 486 W HA -0.201 4.459 4.660 0.000 0.000 0.328 486 W C 2.310 178.422 176.519 -0.679 0.000 1.259 486 W CA 2.105 58.907 57.345 -0.905 0.000 1.251 486 W CB -0.314 28.660 29.460 -0.811 0.000 1.161 486 W HN 0.199 nan 8.180 nan 0.000 0.466 487 K N 0.287 120.277 120.400 -0.684 0.000 2.063 487 K HA -0.259 4.061 4.320 -0.000 0.000 0.208 487 K C 2.171 178.377 176.600 -0.656 0.000 1.048 487 K CA 1.798 57.674 56.287 -0.686 0.000 0.928 487 K CB -0.705 31.512 32.500 -0.471 0.000 0.713 487 K HN 0.185 nan 8.250 nan 0.000 0.442 488 K N 1.195 121.233 120.400 -0.604 0.000 2.044 488 K HA -0.211 4.109 4.320 -0.000 0.000 0.210 488 K C 2.180 178.341 176.600 -0.733 0.000 1.049 488 K CA 1.570 57.518 56.287 -0.566 0.000 0.927 488 K CB -0.179 32.017 32.500 -0.507 0.000 0.713 488 K HN 0.134 nan 8.250 nan 0.000 0.443 489 A N 0.918 123.176 122.820 -0.936 0.000 1.865 489 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 489 A C 2.337 179.350 177.584 -0.952 0.000 1.191 489 A CA 2.153 53.520 52.037 -1.117 0.000 0.623 489 A CB -0.940 17.526 19.000 -0.890 0.000 0.826 489 A HN 0.192 nan 8.150 nan 0.000 0.444 490 V N 0.417 119.745 119.914 -0.976 0.000 2.231 490 V HA -0.388 3.731 4.120 -0.000 0.000 0.250 490 V C 2.418 178.170 176.094 -0.570 0.000 1.058 490 V CA 2.564 64.352 62.300 -0.854 0.000 1.022 490 V CB -1.031 30.138 31.823 -1.089 0.000 0.640 490 V HN 0.571 nan 8.190 nan 0.000 0.445 491 K N -0.039 120.049 120.400 -0.520 0.000 2.049 491 K HA -0.301 4.019 4.320 -0.000 0.000 0.219 491 K C 2.238 178.692 176.600 -0.243 0.000 1.056 491 K CA 2.311 58.396 56.287 -0.336 0.000 0.946 491 K CB -0.393 31.933 32.500 -0.291 0.000 0.723 491 K HN 0.264 nan 8.250 nan 0.000 0.453 492 R N -0.096 120.224 120.500 -0.299 0.000 2.355 492 R HA -0.080 4.260 4.340 -0.000 0.000 0.219 492 R C 1.679 178.037 176.300 0.097 0.000 1.107 492 R CA 1.050 57.076 56.100 -0.123 0.000 1.021 492 R CB -0.126 30.044 30.300 -0.216 0.000 0.852 492 R HN 0.311 nan 8.270 nan 0.000 0.475 493 A N -0.312 122.517 122.820 0.015 0.000 2.229 493 A HA 0.234 4.554 4.320 -0.000 0.000 0.211 493 A C 0.611 178.240 177.584 0.074 0.000 1.193 493 A CA -0.259 51.828 52.037 0.083 0.000 0.879 493 A CB 0.092 19.110 19.000 0.031 0.000 0.911 493 A HN 0.115 nan 8.150 nan 0.000 0.492 494 M N -1.081 118.520 119.600 0.002 0.000 2.245 494 M HA 0.422 4.902 4.480 -0.000 0.000 0.330 494 M C 0.857 177.252 176.300 0.159 0.000 1.098 494 M CA 0.597 55.925 55.300 0.047 0.000 1.172 494 M CB -0.325 32.262 32.600 -0.022 0.000 1.467 494 M HN 0.827 nan 8.290 nan 0.000 0.454 495 A N 1.434 124.388 122.820 0.223 0.000 2.687 495 A HA -0.156 4.164 4.320 -0.000 0.000 0.299 495 A C 0.707 178.434 177.584 0.238 0.000 1.497 495 A CA 1.145 53.320 52.037 0.230 0.000 0.751 495 A CB -2.204 16.870 19.000 0.125 0.000 1.048 495 A HN 1.139 nan 8.150 nan 0.000 0.464 496 W N 0.070 121.437 121.300 0.112 0.000 2.488 496 W HA 0.097 4.757 4.660 -0.001 0.000 0.304 496 W C 0.721 177.290 176.519 0.083 0.000 1.175 496 W CA 1.204 58.591 57.345 0.071 0.000 1.365 496 W CB -0.069 29.422 29.460 0.052 0.000 1.131 496 W HN 0.607 nan 8.180 nan 0.000 0.520 497 E N 2.588 122.940 120.200 0.253 0.000 2.415 497 E HA -0.068 4.282 4.350 -0.000 0.000 0.263 497 E C -0.846 175.769 176.600 0.023 0.000 0.995 497 E CA 0.502 57.010 56.400 0.179 0.000 0.915 497 E CB 0.479 30.457 29.700 0.462 0.000 0.951 497 E HN -0.149 nan 8.360 nan 0.000 0.449 498 E N 2.988 123.146 120.200 -0.071 0.000 2.180 498 E HA 0.160 4.510 4.350 -0.000 0.000 0.283 498 E C -0.665 175.926 176.600 -0.015 0.000 1.061 498 E CA 0.010 56.333 56.400 -0.129 0.000 0.861 498 E CB 0.147 29.751 29.700 -0.160 0.000 1.056 498 E HN 0.566 nan 8.360 nan 0.000 0.407 499 H N 0.000 118.942 119.070 -0.214 0.000 2.539 499 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 499 H CA 0.000 55.973 56.048 -0.125 0.000 1.023 499 H CB 0.000 29.619 29.762 -0.239 0.000 1.292 499 H HN 0.000 nan 8.280 nan 0.000 0.496