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 3h3o_1_B DATA FIRST_RESID 3 DATA SEQUENCE EKNYVMAIDQ GTTSSRAIIF DRNGKKIGSS QKEFPQYFPK SGWVEHNANE DATA SEQUENCE IWNSVQSVIA GAFIESGIRP EAIAGIGITN QRETTVVWDK TTGQPIANAI DATA SEQUENCE VWQSRQSSPI ADQLKVDGHT EMIHEKTGLV IDAYFSATKV RWLLDNIEGA DATA SEQUENCE QEKADNGELL FGTIDSWLVW KLTDGQVHVT DYSNASRTML YNIHKLEWDQ DATA SEQUENCE EILDLLNIPS SMLPEVKSNS EVYGHTRSYR FYGSEVPIAG MAGDQQAALF DATA SEQUENCE GQMAFEKGMI KNTYGTGAFI VMNTGEEPQL SDNDLLTTIG YGINGKVYYA DATA SEQUENCE LEGSIFVAGS AIQWLRDGLR MIETSPQSEE LAAKAKGDNE VYVVPAFTGL DATA SEQUENCE GAPYWDSEAR GAVFGLTRGT TKEDFVRATL QAVAYQSKDV IDTMKKDSGI DATA SEQUENCE DIPLLKVDGG AAKNDLLMQF QADILDIDVQ RAANLETTAL GAAYLAGLAV DATA SEQUENCE GFWKDLDELK SMAEEGQMFT PEMPAEERDN LYEGWKQAVA ATQTFKFKA 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 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.635 176.600 0.058 0.000 1.382 3 E CA 0.000 56.423 56.400 0.039 0.000 0.976 3 E CB 0.000 29.722 29.700 0.037 0.000 0.812 4 K N -0.189 120.255 120.400 0.074 0.000 5.577 4 K HA 0.356 4.676 4.320 -0.000 0.000 0.766 4 K C -0.175 176.472 176.600 0.078 0.000 0.863 4 K CA 0.304 56.629 56.287 0.064 0.000 1.065 4 K CB -0.986 31.565 32.500 0.086 0.000 2.071 4 K HN 0.661 nan 8.250 nan 0.000 1.042 5 N N 0.198 118.892 118.700 -0.011 0.000 2.204 5 N HA 0.327 5.067 4.740 -0.000 0.000 0.219 5 N C -0.379 175.042 175.510 -0.149 0.000 1.151 5 N CA 0.089 53.055 53.050 -0.140 0.000 0.867 5 N CB 0.245 38.495 38.487 -0.395 0.000 1.043 5 N HN 0.517 nan 8.380 nan 0.000 0.516 6 Y N -0.782 119.703 120.300 0.308 0.000 2.634 6 Y HA 0.714 5.264 4.550 -0.000 0.000 0.340 6 Y C -0.386 175.368 175.900 -0.244 0.000 1.058 6 Y CA -1.283 56.901 58.100 0.140 0.000 1.081 6 Y CB 2.035 40.575 38.460 0.134 0.000 1.295 6 Y HN -0.295 nan 8.280 nan 0.000 0.487 7 V N 2.642 122.501 119.914 -0.092 0.000 2.733 7 V HA 0.411 4.531 4.120 -0.000 0.000 0.306 7 V C -0.776 175.353 176.094 0.060 0.000 1.084 7 V CA -0.917 61.248 62.300 -0.225 0.000 0.905 7 V CB 2.160 33.615 31.823 -0.613 0.000 1.010 7 V HN 0.808 nan 8.190 nan 0.000 0.424 8 M N 3.871 123.506 119.600 0.059 0.000 2.537 8 M HA 0.883 5.363 4.480 -0.000 0.000 0.324 8 M C -0.501 175.870 176.300 0.119 0.000 1.187 8 M CA -0.406 54.943 55.300 0.080 0.000 0.993 8 M CB 1.818 34.445 32.600 0.045 0.000 1.666 8 M HN 0.800 nan 8.290 nan 0.000 0.461 9 A N 4.927 127.832 122.820 0.142 0.000 2.393 9 A HA 0.777 5.097 4.320 -0.000 0.000 0.306 9 A C -1.417 176.225 177.584 0.096 0.000 1.050 9 A CA -0.708 51.419 52.037 0.150 0.000 0.724 9 A CB 1.090 20.248 19.000 0.263 0.000 1.248 9 A HN 0.870 nan 8.150 nan 0.000 0.424 10 I N 2.059 122.680 120.570 0.085 0.000 2.389 10 I HA 0.290 4.460 4.170 -0.000 0.000 0.288 10 I C -0.973 175.190 176.117 0.077 0.000 0.999 10 I CA -0.404 60.940 61.300 0.072 0.000 1.129 10 I CB 1.981 40.030 38.000 0.080 0.000 1.288 10 I HN 0.599 nan 8.210 nan 0.000 0.444 11 D N 6.878 127.325 120.400 0.078 0.000 2.472 11 D HA 0.062 4.702 4.640 -0.000 0.000 0.234 11 D C -0.481 175.885 176.300 0.110 0.000 1.088 11 D CA -0.359 53.694 54.000 0.089 0.000 0.882 11 D CB 1.080 41.934 40.800 0.089 0.000 1.037 11 D HN 0.302 nan 8.370 nan 0.000 0.520 12 Q N 2.892 122.764 119.800 0.119 0.000 2.423 12 Q HA 0.379 4.719 4.340 -0.000 0.000 0.235 12 Q C -0.058 176.065 176.000 0.205 0.000 1.100 12 Q CA -0.406 55.489 55.803 0.153 0.000 0.908 12 Q CB 0.779 29.594 28.738 0.129 0.000 1.312 12 Q HN 0.598 nan 8.270 nan 0.000 0.497 13 G N 2.005 110.963 108.800 0.263 0.000 2.531 13 G HA2 0.221 4.181 3.960 -0.000 0.000 0.281 13 G HA3 0.221 4.181 3.960 -0.000 0.000 0.281 13 G C 0.664 175.828 174.900 0.441 0.000 1.382 13 G CA -0.077 45.201 45.100 0.297 0.000 1.045 13 G HN 0.549 nan 8.290 nan 0.000 0.533 14 T N -0.336 114.487 114.554 0.448 0.000 2.812 14 T HA -0.079 4.271 4.350 -0.000 0.000 0.264 14 T C 2.348 177.175 174.700 0.212 0.000 1.042 14 T CA 2.110 64.536 62.100 0.543 0.000 1.140 14 T CB -0.255 69.005 68.868 0.653 0.000 0.870 14 T HN 0.681 nan 8.240 nan 0.000 0.445 15 T N -1.221 113.302 114.554 -0.052 0.000 3.003 15 T HA 0.381 4.731 4.350 -0.000 0.000 0.261 15 T C 0.582 174.845 174.700 -0.727 0.000 1.003 15 T CA 0.057 61.859 62.100 -0.497 0.000 0.917 15 T CB 0.225 68.990 68.868 -0.171 0.000 1.084 15 T HN 0.404 nan 8.240 nan 0.000 0.522 16 S N -0.124 115.435 115.700 -0.235 0.000 2.625 16 S HA 0.758 5.228 4.470 -0.000 0.000 0.271 16 S C -1.382 173.405 174.600 0.311 0.000 1.161 16 S CA -0.714 57.504 58.200 0.030 0.000 0.820 16 S CB 1.904 65.112 63.200 0.013 0.000 1.137 16 S HN 0.131 nan 8.310 nan 0.000 0.470 17 S N 0.249 116.107 115.700 0.263 0.000 2.526 17 S HA 0.800 5.270 4.470 -0.000 0.000 0.293 17 S C -0.851 173.809 174.600 0.100 0.000 1.092 17 S CA -0.821 57.493 58.200 0.189 0.000 0.980 17 S CB 1.668 64.962 63.200 0.156 0.000 1.048 17 S HN 0.802 nan 8.310 nan 0.000 0.483 18 R N 0.844 121.388 120.500 0.073 0.000 2.771 18 R HA 0.773 5.113 4.340 -0.000 0.000 0.274 18 R C -1.931 174.376 176.300 0.012 0.000 0.987 18 R CA -0.675 55.444 56.100 0.031 0.000 0.908 18 R CB 1.588 31.908 30.300 0.033 0.000 1.213 18 R HN 0.729 nan 8.270 nan 0.000 0.468 19 A N 4.893 127.693 122.820 -0.034 0.000 2.359 19 A HA 0.606 4.926 4.320 -0.000 0.000 0.303 19 A C -0.996 176.512 177.584 -0.127 0.000 1.066 19 A CA -0.707 51.292 52.037 -0.063 0.000 0.730 19 A CB 0.858 19.803 19.000 -0.093 0.000 1.211 19 A HN 0.620 nan 8.150 nan 0.000 0.439 20 I N 2.331 122.820 120.570 -0.134 0.000 2.603 20 I HA 0.474 4.644 4.170 -0.000 0.000 0.300 20 I C -0.691 175.230 176.117 -0.327 0.000 1.017 20 I CA -0.656 60.465 61.300 -0.299 0.000 1.098 20 I CB 2.125 39.861 38.000 -0.441 0.000 1.279 20 I HN 0.505 nan 8.210 nan 0.000 0.437 21 I N 5.121 125.438 120.570 -0.421 0.000 2.382 21 I HA 0.344 4.513 4.170 -0.000 0.000 0.285 21 I C -0.882 175.080 176.117 -0.258 0.000 1.007 21 I CA -0.307 60.835 61.300 -0.262 0.000 1.142 21 I CB 1.024 38.855 38.000 -0.282 0.000 1.289 21 I HN 0.317 nan 8.210 nan 0.000 0.453 22 F N 3.944 123.953 119.950 0.098 0.000 2.450 22 F HA 0.366 4.893 4.527 0.000 0.000 0.328 22 F C 0.529 176.556 175.800 0.379 0.000 1.068 22 F CA -0.498 57.634 58.000 0.220 0.000 1.007 22 F CB 1.017 40.184 39.000 0.278 0.000 1.251 22 F HN 0.461 nan 8.300 nan 0.000 0.492 23 D N -0.746 120.053 120.400 0.665 0.000 2.494 23 D HA 0.287 4.927 4.640 -0.000 0.000 0.259 23 D C 0.819 177.522 176.300 0.672 0.000 1.109 23 D CA -0.814 53.577 54.000 0.651 0.000 1.040 23 D CB 0.581 41.691 40.800 0.516 0.000 1.175 23 D HN 0.438 nan 8.370 nan 0.000 0.584 24 R N -0.850 119.907 120.500 0.429 0.000 2.249 24 R HA -0.050 4.290 4.340 -0.000 0.000 0.230 24 R C 0.500 177.087 176.300 0.478 0.000 1.121 24 R CA 0.926 57.172 56.100 0.244 0.000 0.997 24 R CB -0.155 29.989 30.300 -0.260 0.000 0.867 24 R HN 0.400 nan 8.270 nan 0.000 0.465 25 N N -0.730 118.204 118.700 0.389 0.000 2.336 25 N HA 0.034 4.773 4.740 -0.000 0.000 0.189 25 N C 0.692 176.416 175.510 0.356 0.000 1.113 25 N CA 0.990 54.230 53.050 0.315 0.000 0.858 25 N CB 1.210 39.824 38.487 0.211 0.000 0.970 25 N HN 0.378 nan 8.380 nan 0.000 0.471 26 G N 1.523 110.634 108.800 0.518 0.000 2.137 26 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.237 26 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.237 26 G C 0.005 175.215 174.900 0.517 0.000 1.002 26 G CA -0.009 45.389 45.100 0.497 0.000 0.702 26 G HN 0.398 nan 8.290 nan 0.000 0.515 27 K N 0.801 121.471 120.400 0.449 0.000 2.258 27 K HA 0.393 4.713 4.320 -0.000 0.000 0.284 27 K C 0.629 177.387 176.600 0.264 0.000 1.051 27 K CA -0.680 55.798 56.287 0.318 0.000 0.923 27 K CB 0.435 33.072 32.500 0.228 0.000 1.046 27 K HN 0.199 nan 8.250 nan 0.000 0.474 28 K N 5.767 126.236 120.400 0.115 0.000 2.402 28 K HA 0.030 4.350 4.320 -0.000 0.000 0.285 28 K C 0.316 176.858 176.600 -0.097 0.000 1.054 28 K CA 0.120 56.304 56.287 -0.171 0.000 1.001 28 K CB 0.363 32.758 32.500 -0.174 0.000 0.946 28 K HN 0.679 nan 8.250 nan 0.000 0.473 29 I N 2.682 123.165 120.570 -0.144 0.000 4.187 29 I HA 0.188 4.358 4.170 -0.000 0.000 0.326 29 I C 0.909 176.926 176.117 -0.166 0.000 1.302 29 I CA -0.202 61.031 61.300 -0.112 0.000 1.196 29 I CB 1.034 38.967 38.000 -0.111 0.000 1.095 29 I HN 0.725 nan 8.210 nan 0.000 0.411 30 G N -0.232 108.433 108.800 -0.225 0.000 2.690 30 G HA2 0.603 4.562 3.960 -0.000 0.000 0.293 30 G HA3 0.603 4.562 3.960 -0.000 0.000 0.293 30 G C -1.468 173.291 174.900 -0.235 0.000 1.399 30 G CA -0.302 44.669 45.100 -0.215 0.000 0.890 30 G HN -0.089 nan 8.290 nan 0.000 0.485 31 S N -1.167 114.422 115.700 -0.185 0.000 2.586 31 S HA 0.752 5.221 4.470 -0.000 0.000 0.277 31 S C -1.447 173.083 174.600 -0.118 0.000 1.131 31 S CA -0.017 58.085 58.200 -0.163 0.000 0.848 31 S CB 1.585 64.699 63.200 -0.143 0.000 1.091 31 S HN 1.613 nan 8.310 nan 0.000 0.453 32 S N 1.852 117.494 115.700 -0.097 0.000 2.548 32 S HA 0.592 5.062 4.470 -0.000 0.000 0.278 32 S C -1.920 172.657 174.600 -0.039 0.000 1.150 32 S CA -0.410 57.750 58.200 -0.067 0.000 0.907 32 S CB 1.703 64.856 63.200 -0.079 0.000 1.108 32 S HN 0.813 nan 8.310 nan 0.000 0.459 33 Q N 2.748 122.537 119.800 -0.018 0.000 2.372 33 Q HA 0.621 4.961 4.340 -0.000 0.000 0.273 33 Q C -1.804 174.204 176.000 0.014 0.000 1.078 33 Q CA -0.701 55.106 55.803 0.006 0.000 0.806 33 Q CB 1.742 30.487 28.738 0.011 0.000 1.332 33 Q HN 0.681 nan 8.270 nan 0.000 0.435 34 K N 2.391 122.814 120.400 0.038 0.000 2.523 34 K HA 0.327 4.647 4.320 -0.000 0.000 0.257 34 K C -1.281 175.364 176.600 0.075 0.000 0.932 34 K CA -0.460 55.854 56.287 0.045 0.000 0.812 34 K CB 1.819 34.344 32.500 0.042 0.000 1.326 34 K HN 0.677 nan 8.250 nan 0.000 0.433 35 E N 2.567 122.787 120.200 0.033 0.000 2.280 35 E HA 0.392 4.742 4.350 -0.000 0.000 0.264 35 E C -0.652 175.972 176.600 0.041 0.000 1.064 35 E CA -0.741 55.631 56.400 -0.047 0.000 0.900 35 E CB 0.953 30.593 29.700 -0.098 0.000 1.123 35 E HN 0.396 nan 8.360 nan 0.000 0.418 36 F N -2.375 117.547 119.950 -0.046 0.000 2.601 36 F HA 0.528 5.054 4.527 -0.000 0.000 0.309 36 F C -2.920 172.811 175.800 -0.114 0.000 1.089 36 F CA -3.404 54.555 58.000 -0.069 0.000 0.940 36 F CB 0.202 39.156 39.000 -0.078 0.000 1.273 36 F HN 0.104 nan 8.300 nan 0.000 0.450 37 P HA 0.055 nan 4.420 nan 0.000 0.263 37 P C -1.094 175.994 177.300 -0.354 0.000 1.175 37 P CA 0.224 63.197 63.100 -0.210 0.000 0.761 37 P CB 0.459 32.022 31.700 -0.228 0.000 0.794 38 Q N 2.288 121.798 119.800 -0.484 0.000 2.333 38 Q HA 0.381 4.721 4.340 -0.000 0.000 0.267 38 Q C -0.902 174.543 176.000 -0.925 0.000 1.012 38 Q CA -0.460 55.048 55.803 -0.492 0.000 0.824 38 Q CB 1.474 30.046 28.738 -0.277 0.000 1.290 38 Q HN 0.433 nan 8.270 nan 0.000 0.449 39 Y N 1.140 121.119 120.300 -0.536 0.000 2.377 39 Y HA 0.442 4.991 4.550 -0.000 0.000 0.339 39 Y C -0.242 175.201 175.900 -0.761 0.000 1.011 39 Y CA -0.980 56.826 58.100 -0.490 0.000 1.093 39 Y CB 1.087 39.450 38.460 -0.161 0.000 1.201 39 Y HN 0.420 nan 8.280 nan 0.000 0.455 40 F N 3.682 123.752 119.950 0.199 0.000 2.523 40 F HA 0.334 4.860 4.527 -0.000 0.000 0.322 40 F C -1.577 174.273 175.800 0.084 0.000 1.361 40 F CA -2.209 55.863 58.000 0.119 0.000 1.151 40 F CB 0.553 39.586 39.000 0.056 0.000 1.391 40 F HN 0.386 nan 8.300 nan 0.000 0.566 41 P HA -0.169 nan 4.420 nan 0.000 0.220 41 P C 0.127 177.333 177.300 -0.156 0.000 1.144 41 P CA 1.268 64.397 63.100 0.049 0.000 0.800 41 P CB 0.912 32.677 31.700 0.108 0.000 0.772 42 K N -1.383 118.896 120.400 -0.202 0.000 2.607 42 K HA 0.262 4.581 4.320 -0.000 0.000 0.287 42 K C -0.985 175.501 176.600 -0.190 0.000 0.996 42 K CA -0.647 55.391 56.287 -0.414 0.000 0.876 42 K CB 1.635 33.480 32.500 -1.092 0.000 1.496 42 K HN -0.305 nan 8.250 nan 0.000 0.415 43 S N 0.723 116.338 115.700 -0.142 0.000 2.629 43 S HA 0.264 4.734 4.470 -0.000 0.000 0.302 43 S C 0.957 175.617 174.600 0.099 0.000 1.244 43 S CA 1.949 60.134 58.200 -0.025 0.000 1.098 43 S CB -0.844 62.337 63.200 -0.032 0.000 0.858 43 S HN 0.963 nan 8.310 nan 0.000 0.502 44 G N 4.203 113.089 108.800 0.143 0.000 2.175 44 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.244 44 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.244 44 G C -0.295 174.800 174.900 0.325 0.000 0.982 44 G CA 0.004 45.224 45.100 0.199 0.000 0.641 44 G HN 0.608 nan 8.290 nan 0.000 0.527 45 W N -0.038 121.263 121.300 0.001 0.000 2.469 45 W HA 0.706 5.365 4.660 -0.000 0.000 0.320 45 W C -0.039 176.495 176.519 0.025 0.000 1.086 45 W CA -1.117 56.201 57.345 -0.045 0.000 1.211 45 W CB 1.804 31.230 29.460 -0.056 0.000 1.298 45 W HN 0.250 nan 8.180 nan 0.000 0.525 46 V N 3.235 123.185 119.914 0.060 0.000 2.612 46 V HA 0.398 4.518 4.120 -0.000 0.000 0.301 46 V C -0.438 175.512 176.094 -0.241 0.000 1.059 46 V CA -1.213 61.030 62.300 -0.095 0.000 0.886 46 V CB 1.466 33.216 31.823 -0.122 0.000 1.007 46 V HN 0.512 nan 8.190 nan 0.000 0.426 47 E N 2.551 122.621 120.200 -0.218 0.000 2.392 47 E HA 0.695 5.045 4.350 -0.000 0.000 0.269 47 E C -1.446 175.149 176.600 -0.009 0.000 0.924 47 E CA -1.000 55.314 56.400 -0.142 0.000 0.784 47 E CB 3.009 32.707 29.700 -0.004 0.000 1.292 47 E HN 0.800 nan 8.360 nan 0.000 0.447 48 H N 0.053 119.212 119.070 0.148 0.000 2.821 48 H HA 0.273 4.829 4.556 0.000 0.000 0.373 48 H C -0.732 174.704 175.328 0.179 0.000 1.165 48 H CA -1.054 55.126 56.048 0.220 0.000 1.154 48 H CB 1.877 31.738 29.762 0.167 0.000 1.765 48 H HN 0.260 nan 8.280 nan 0.000 0.549 49 N N 1.460 120.384 118.700 0.373 0.000 2.414 49 N HA 0.096 4.835 4.740 -0.000 0.000 0.256 49 N C 0.598 176.162 175.510 0.091 0.000 1.029 49 N CA 0.003 53.169 53.050 0.194 0.000 0.948 49 N CB 1.528 40.158 38.487 0.239 0.000 1.102 49 N HN 0.799 nan 8.380 nan 0.000 0.496 50 A N 4.485 127.283 122.820 -0.038 0.000 2.024 50 A HA -0.174 4.146 4.320 -0.000 0.000 0.220 50 A C 1.790 179.498 177.584 0.207 0.000 1.164 50 A CA 1.140 53.087 52.037 -0.148 0.000 0.643 50 A CB -0.190 18.340 19.000 -0.784 0.000 0.806 50 A HN 0.766 nan 8.150 nan 0.000 0.451 51 N N -0.165 118.666 118.700 0.218 0.000 2.216 51 N HA -0.108 4.631 4.740 -0.000 0.000 0.183 51 N C 1.561 177.237 175.510 0.278 0.000 1.017 51 N CA 1.376 54.633 53.050 0.344 0.000 0.861 51 N CB -0.293 38.346 38.487 0.252 0.000 0.986 51 N HN 0.663 nan 8.380 nan 0.000 0.428 52 E N 0.736 121.040 120.200 0.174 0.000 2.150 52 E HA -0.025 4.325 4.350 -0.000 0.000 0.193 52 E C 1.947 178.546 176.600 -0.002 0.000 0.985 52 E CA 0.417 56.887 56.400 0.116 0.000 0.814 52 E CB 0.051 29.843 29.700 0.154 0.000 0.752 52 E HN 0.350 nan 8.360 nan 0.000 0.466 53 I N 0.681 121.196 120.570 -0.093 0.000 2.252 53 I HA -0.231 3.939 4.170 -0.000 0.000 0.245 53 I C 2.380 178.497 176.117 0.000 0.000 1.102 53 I CA 0.881 61.983 61.300 -0.329 0.000 1.385 53 I CB -0.300 37.506 38.000 -0.324 0.000 1.064 53 I HN 0.380 nan 8.210 nan 0.000 0.414 54 W N 2.503 123.834 121.300 0.051 0.000 2.355 54 W HA -0.243 4.417 4.660 0.000 0.000 0.309 54 W C 2.023 178.543 176.519 0.003 0.000 1.206 54 W CA 1.372 58.739 57.345 0.037 0.000 1.284 54 W CB -0.258 29.240 29.460 0.064 0.000 1.145 54 W HN 0.189 nan 8.180 nan 0.000 0.502 55 N N 0.471 119.072 118.700 -0.165 0.000 2.309 55 N HA -0.167 4.572 4.740 -0.000 0.000 0.182 55 N C 1.866 177.252 175.510 -0.206 0.000 1.018 55 N CA 1.564 54.461 53.050 -0.254 0.000 0.876 55 N CB -0.804 37.650 38.487 -0.055 0.000 0.972 55 N HN 0.102 nan 8.380 nan 0.000 0.434 56 S N 0.175 115.798 115.700 -0.129 0.000 2.368 56 S HA -0.040 4.430 4.470 -0.000 0.000 0.224 56 S C 1.961 176.496 174.600 -0.107 0.000 1.029 56 S CA 0.848 59.014 58.200 -0.056 0.000 0.988 56 S CB -0.160 63.024 63.200 -0.027 0.000 0.838 56 S HN 0.057 nan 8.310 nan 0.000 0.462 57 V N 1.849 121.648 119.914 -0.192 0.000 2.453 57 V HA -0.131 3.989 4.120 -0.000 0.000 0.247 57 V C 2.616 178.520 176.094 -0.318 0.000 1.048 57 V CA 1.785 63.963 62.300 -0.203 0.000 1.049 57 V CB -0.826 30.904 31.823 -0.154 0.000 0.672 57 V HN 0.531 nan 8.190 nan 0.000 0.457 58 Q N -0.151 119.309 119.800 -0.567 0.000 2.084 58 Q HA -0.182 4.157 4.340 -0.000 0.000 0.202 58 Q C 2.542 178.416 176.000 -0.209 0.000 0.978 58 Q CA 1.944 57.457 55.803 -0.484 0.000 0.844 58 Q CB -0.300 28.080 28.738 -0.597 0.000 0.898 58 Q HN 0.571 nan 8.270 nan 0.000 0.426 59 S N 0.637 116.233 115.700 -0.172 0.000 2.348 59 S HA -0.146 4.324 4.470 -0.000 0.000 0.221 59 S C 2.242 176.803 174.600 -0.064 0.000 1.033 59 S CA 1.595 59.744 58.200 -0.085 0.000 1.010 59 S CB -0.378 62.787 63.200 -0.058 0.000 0.891 59 S HN 0.461 nan 8.310 nan 0.000 0.442 60 V N 0.300 120.173 119.914 -0.067 0.000 2.626 60 V HA -0.048 4.072 4.120 -0.000 0.000 0.252 60 V C 1.853 177.895 176.094 -0.087 0.000 1.067 60 V CA 1.339 63.602 62.300 -0.061 0.000 1.081 60 V CB -0.956 30.844 31.823 -0.039 0.000 0.686 60 V HN 0.429 nan 8.190 nan 0.000 0.468 61 I N 1.209 121.735 120.570 -0.073 0.000 2.202 61 I HA -0.114 4.055 4.170 -0.000 0.000 0.242 61 I C 2.952 179.042 176.117 -0.045 0.000 1.091 61 I CA 1.586 62.843 61.300 -0.071 0.000 1.368 61 I CB -0.633 37.398 38.000 0.052 0.000 1.058 61 I HN 0.362 nan 8.210 nan 0.000 0.410 62 A N 0.865 123.710 122.820 0.042 0.000 1.902 62 A HA -0.115 4.204 4.320 -0.000 0.000 0.217 62 A C 2.410 179.980 177.584 -0.023 0.000 1.181 62 A CA 1.849 53.911 52.037 0.042 0.000 0.623 62 A CB -1.394 17.631 19.000 0.042 0.000 0.818 62 A HN 0.463 nan 8.150 nan 0.000 0.443 63 G N -0.770 107.999 108.800 -0.052 0.000 2.443 63 G HA2 0.070 4.030 3.960 -0.000 0.000 0.219 63 G HA3 0.070 4.030 3.960 -0.000 0.000 0.219 63 G C 1.621 176.459 174.900 -0.104 0.000 1.131 63 G CA 1.277 46.337 45.100 -0.066 0.000 0.775 63 G HN 0.755 nan 8.290 nan 0.000 0.547 64 A N 0.394 123.109 122.820 -0.174 0.000 1.897 64 A HA 0.237 4.557 4.320 -0.000 0.000 0.215 64 A C 2.071 179.489 177.584 -0.277 0.000 1.181 64 A CA 0.963 52.842 52.037 -0.263 0.000 0.620 64 A CB -0.432 18.344 19.000 -0.373 0.000 0.821 64 A HN 0.237 nan 8.150 nan 0.000 0.443 65 F N 0.154 120.006 119.950 -0.163 0.000 2.171 65 F HA -0.079 4.448 4.527 -0.000 0.000 0.300 65 F C 2.084 177.778 175.800 -0.177 0.000 1.090 65 F CA 0.960 58.841 58.000 -0.198 0.000 1.293 65 F CB -0.445 38.373 39.000 -0.302 0.000 1.013 65 F HN 0.124 nan 8.300 nan 0.000 0.486 66 I N -0.351 120.225 120.570 0.012 0.000 2.202 66 I HA -0.247 3.923 4.170 -0.000 0.000 0.242 66 I C 2.400 178.490 176.117 -0.044 0.000 1.091 66 I CA 1.468 62.750 61.300 -0.029 0.000 1.368 66 I CB -0.444 37.532 38.000 -0.041 0.000 1.058 66 I HN 0.105 nan 8.210 nan 0.000 0.410 67 E N 0.640 120.802 120.200 -0.064 0.000 2.478 67 E HA -0.161 4.189 4.350 -0.000 0.000 0.198 67 E C 1.841 178.393 176.600 -0.079 0.000 1.046 67 E CA 1.217 57.576 56.400 -0.068 0.000 0.870 67 E CB 0.190 29.843 29.700 -0.078 0.000 0.818 67 E HN 0.531 nan 8.360 nan 0.000 0.527 68 S N -2.153 113.492 115.700 -0.091 0.000 2.505 68 S HA 0.278 4.747 4.470 -0.000 0.000 0.216 68 S C 1.635 176.182 174.600 -0.087 0.000 1.018 68 S CA 0.465 58.595 58.200 -0.116 0.000 0.911 68 S CB 0.789 63.878 63.200 -0.186 0.000 0.818 68 S HN 0.375 nan 8.310 nan 0.000 0.497 69 G N 1.935 110.706 108.800 -0.048 0.000 2.396 69 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.242 69 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.242 69 G C 0.228 175.116 174.900 -0.019 0.000 1.069 69 G CA 0.227 45.308 45.100 -0.032 0.000 0.633 69 G HN 0.600 nan 8.290 nan 0.000 0.517 70 I N 1.380 121.930 120.570 -0.033 0.000 3.094 70 I HA 0.149 4.319 4.170 -0.000 0.000 0.291 70 I C 1.312 177.464 176.117 0.059 0.000 1.250 70 I CA 0.446 61.749 61.300 0.005 0.000 1.401 70 I CB 0.192 38.121 38.000 -0.119 0.000 1.343 70 I HN 0.173 nan 8.210 nan 0.000 0.599 71 R N 4.268 124.789 120.500 0.035 0.000 2.732 71 R HA 0.290 4.630 4.340 -0.000 0.000 0.278 71 R C -1.776 174.448 176.300 -0.126 0.000 0.976 71 R CA -1.589 54.437 56.100 -0.123 0.000 0.963 71 R CB 1.262 31.517 30.300 -0.074 0.000 1.150 71 R HN 0.274 nan 8.270 nan 0.000 0.478 72 P HA -0.277 nan 4.420 nan 0.000 0.215 72 P C 0.670 178.047 177.300 0.128 0.000 1.163 72 P CA 1.564 64.544 63.100 -0.200 0.000 0.894 72 P CB 0.111 31.665 31.700 -0.244 0.000 0.791 73 E N -0.253 119.986 120.200 0.064 0.000 2.333 73 E HA -0.163 4.187 4.350 -0.000 0.000 0.200 73 E C 1.464 178.134 176.600 0.118 0.000 1.010 73 E CA 1.219 57.672 56.400 0.087 0.000 0.841 73 E CB -0.799 28.930 29.700 0.047 0.000 0.757 73 E HN 0.180 nan 8.360 nan 0.000 0.508 74 A N 1.113 124.034 122.820 0.169 0.000 2.275 74 A HA 0.171 4.491 4.320 -0.000 0.000 0.212 74 A C 0.639 178.393 177.584 0.284 0.000 1.201 74 A CA -0.255 51.920 52.037 0.230 0.000 0.843 74 A CB 0.096 19.294 19.000 0.331 0.000 0.873 74 A HN 0.144 nan 8.150 nan 0.000 0.492 75 I N 0.797 121.525 120.570 0.263 0.000 2.337 75 I HA 0.191 4.361 4.170 -0.000 0.000 0.291 75 I C 1.492 177.671 176.117 0.103 0.000 1.046 75 I CA -0.060 61.380 61.300 0.234 0.000 1.324 75 I CB 0.422 38.621 38.000 0.332 0.000 1.409 75 I HN 0.240 nan 8.210 nan 0.000 0.494 76 A N 5.557 128.391 122.820 0.024 0.000 1.929 76 A HA 0.361 4.681 4.320 -0.000 0.000 0.216 76 A C 1.083 178.625 177.584 -0.070 0.000 1.176 76 A CA 1.139 53.164 52.037 -0.019 0.000 0.628 76 A CB -0.151 18.832 19.000 -0.028 0.000 0.816 76 A HN 0.803 nan 8.150 nan 0.000 0.444 77 G N -1.600 107.126 108.800 -0.123 0.000 2.667 77 G HA2 0.497 4.457 3.960 -0.000 0.000 0.294 77 G HA3 0.497 4.457 3.960 -0.000 0.000 0.294 77 G C -1.232 173.626 174.900 -0.070 0.000 1.467 77 G CA -0.682 44.362 45.100 -0.094 0.000 0.852 77 G HN 0.141 nan 8.290 nan 0.000 0.521 78 I N 1.157 121.696 120.570 -0.053 0.000 2.359 78 I HA 0.563 4.732 4.170 -0.000 0.000 0.294 78 I C 0.812 176.945 176.117 0.026 0.000 0.987 78 I CA -0.640 60.648 61.300 -0.021 0.000 1.225 78 I CB 1.984 39.934 38.000 -0.082 0.000 1.366 78 I HN 0.567 nan 8.210 nan 0.000 0.466 79 G N 6.862 115.694 108.800 0.053 0.000 2.415 79 G HA2 0.748 4.708 3.960 -0.000 0.000 0.327 79 G HA3 0.748 4.708 3.960 -0.000 0.000 0.327 79 G C -0.887 174.049 174.900 0.061 0.000 1.182 79 G CA -0.440 44.700 45.100 0.067 0.000 0.924 79 G HN 0.484 nan 8.290 nan 0.000 0.470 80 I N 1.269 121.867 120.570 0.046 0.000 2.418 80 I HA 0.387 4.557 4.170 -0.000 0.000 0.287 80 I C -0.045 176.083 176.117 0.018 0.000 1.008 80 I CA -0.475 60.845 61.300 0.033 0.000 1.104 80 I CB 2.474 40.479 38.000 0.009 0.000 1.264 80 I HN 0.423 nan 8.210 nan 0.000 0.438 81 T N 6.400 120.975 114.554 0.035 0.000 2.876 81 T HA 0.572 4.922 4.350 -0.000 0.000 0.289 81 T C -1.157 173.571 174.700 0.046 0.000 1.014 81 T CA -0.633 61.484 62.100 0.028 0.000 0.986 81 T CB 1.013 69.901 68.868 0.033 0.000 1.021 81 T HN 0.816 nan 8.240 nan 0.000 0.458 82 N N 2.532 121.254 118.700 0.036 0.000 2.591 82 N HA 0.233 4.973 4.740 -0.000 0.000 0.263 82 N C -1.149 174.388 175.510 0.046 0.000 1.308 82 N CA -0.880 52.209 53.050 0.064 0.000 0.837 82 N CB 1.516 40.048 38.487 0.074 0.000 1.548 82 N HN 0.792 nan 8.380 nan 0.000 0.493 83 Q N 0.775 120.637 119.800 0.104 0.000 2.315 83 Q HA 0.223 4.563 4.340 -0.000 0.000 0.289 83 Q C -0.461 175.563 176.000 0.039 0.000 1.044 83 Q CA 0.066 55.919 55.803 0.082 0.000 0.920 83 Q CB 0.998 29.922 28.738 0.310 0.000 1.214 83 Q HN 0.419 nan 8.270 nan 0.000 0.392 84 R N 1.535 121.967 120.500 -0.112 0.000 2.549 84 R HA 0.151 4.491 4.340 -0.000 0.000 0.259 84 R C 0.047 176.363 176.300 0.027 0.000 1.095 84 R CA -0.393 55.667 56.100 -0.066 0.000 1.148 84 R CB 0.457 30.663 30.300 -0.157 0.000 1.181 84 R HN 0.914 nan 8.270 nan 0.000 0.571 85 E N -1.304 118.930 120.200 0.056 0.000 5.235 85 E HA -0.248 4.102 4.350 -0.000 0.000 0.181 85 E C -0.387 176.340 176.600 0.211 0.000 1.139 85 E CA 2.236 58.706 56.400 0.115 0.000 1.955 85 E CB -1.440 28.248 29.700 -0.019 0.000 1.828 85 E HN 0.643 nan 8.360 nan 0.000 0.385 86 T N 2.301 117.023 114.554 0.279 0.000 2.750 86 T HA 0.099 4.448 4.350 -0.000 0.000 0.277 86 T C 0.067 174.889 174.700 0.204 0.000 0.996 86 T CA 1.076 63.331 62.100 0.258 0.000 1.195 86 T CB 0.236 69.306 68.868 0.337 0.000 0.963 86 T HN 0.128 nan 8.240 nan 0.000 0.516 87 T N 4.072 118.734 114.554 0.179 0.000 2.867 87 T HA 0.566 4.916 4.350 -0.000 0.000 0.282 87 T C -0.115 174.671 174.700 0.142 0.000 1.000 87 T CA -0.619 61.620 62.100 0.233 0.000 1.042 87 T CB 1.111 70.147 68.868 0.279 0.000 0.973 87 T HN 0.350 nan 8.240 nan 0.000 0.465 88 V N 3.099 123.106 119.914 0.154 0.000 2.709 88 V HA 0.626 4.746 4.120 -0.000 0.000 0.308 88 V C -0.611 175.595 176.094 0.187 0.000 1.062 88 V CA -0.821 61.512 62.300 0.055 0.000 0.901 88 V CB 2.106 33.830 31.823 -0.166 0.000 1.003 88 V HN 0.671 nan 8.190 nan 0.000 0.425 89 V N 3.972 123.960 119.914 0.124 0.000 2.588 89 V HA 0.705 4.825 4.120 -0.000 0.000 0.304 89 V C -0.961 175.197 176.094 0.106 0.000 1.042 89 V CA -0.478 61.857 62.300 0.058 0.000 0.877 89 V CB 1.818 33.654 31.823 0.023 0.000 0.996 89 V HN 1.072 nan 8.190 nan 0.000 0.425 90 W N 2.571 123.758 121.300 -0.188 0.000 3.062 90 W HA 0.654 5.314 4.660 0.000 0.000 0.336 90 W C -0.938 175.474 176.519 -0.177 0.000 1.224 90 W CA -0.889 56.341 57.345 -0.191 0.000 1.159 90 W CB 0.869 30.197 29.460 -0.220 0.000 1.454 90 W HN 0.527 nan 8.180 nan 0.000 0.569 91 D N 2.409 122.903 120.400 0.157 0.000 2.348 91 D HA 0.011 4.651 4.640 -0.000 0.000 0.253 91 D C 0.890 177.284 176.300 0.158 0.000 1.161 91 D CA 0.135 54.180 54.000 0.075 0.000 0.876 91 D CB 1.681 42.545 40.800 0.107 0.000 1.160 91 D HN 0.709 nan 8.370 nan 0.000 0.459 92 K N 2.269 122.686 120.400 0.028 0.000 2.147 92 K HA -0.126 4.194 4.320 -0.000 0.000 0.205 92 K C 1.416 178.208 176.600 0.320 0.000 1.049 92 K CA 1.367 57.745 56.287 0.153 0.000 0.936 92 K CB 0.278 32.797 32.500 0.031 0.000 0.722 92 K HN 0.389 nan 8.250 nan 0.000 0.446 93 T N -0.243 114.431 114.554 0.200 0.000 2.684 93 T HA -0.130 4.220 4.350 -0.000 0.000 0.253 93 T C 2.000 176.824 174.700 0.207 0.000 1.057 93 T CA 1.843 64.049 62.100 0.177 0.000 1.162 93 T CB -0.657 68.273 68.868 0.103 0.000 0.868 93 T HN 0.537 nan 8.240 nan 0.000 0.409 94 T N -0.294 114.370 114.554 0.184 0.000 2.777 94 T HA 0.166 4.516 4.350 -0.000 0.000 0.266 94 T C 1.891 176.749 174.700 0.263 0.000 1.040 94 T CA 1.529 63.734 62.100 0.176 0.000 1.141 94 T CB -0.859 68.090 68.868 0.135 0.000 0.868 94 T HN 0.763 nan 8.240 nan 0.000 0.444 95 G N 0.837 109.859 108.800 0.370 0.000 2.132 95 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.228 95 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.228 95 G C -0.243 174.859 174.900 0.337 0.000 1.000 95 G CA -0.044 45.361 45.100 0.509 0.000 0.693 95 G HN 0.696 nan 8.290 nan 0.000 0.515 96 Q N 0.114 120.072 119.800 0.263 0.000 2.271 96 Q HA 0.439 4.779 4.340 -0.000 0.000 0.258 96 Q C -2.378 173.722 176.000 0.167 0.000 0.936 96 Q CA -2.020 53.904 55.803 0.201 0.000 0.909 96 Q CB 1.609 30.432 28.738 0.143 0.000 1.253 96 Q HN 0.186 nan 8.270 nan 0.000 0.440 97 P HA -0.000 nan 4.420 nan 0.000 0.264 97 P C 0.823 178.146 177.300 0.039 0.000 1.183 97 P CA 0.274 63.371 63.100 -0.005 0.000 0.763 97 P CB 0.337 31.938 31.700 -0.166 0.000 0.807 98 I N 0.066 120.662 120.570 0.043 0.000 3.291 98 I HA 0.348 4.518 4.170 -0.000 0.000 0.279 98 I C 0.545 176.682 176.117 0.033 0.000 1.294 98 I CA 0.467 61.788 61.300 0.034 0.000 1.428 98 I CB -0.191 37.820 38.000 0.018 0.000 1.070 98 I HN 0.238 nan 8.210 nan 0.000 0.478 99 A N 0.479 123.316 122.820 0.028 0.000 2.415 99 A HA 0.371 4.691 4.320 -0.000 0.000 0.294 99 A C -1.025 176.568 177.584 0.015 0.000 1.019 99 A CA -0.853 51.208 52.037 0.041 0.000 0.603 99 A CB 0.080 19.137 19.000 0.094 0.000 1.382 99 A HN 0.163 nan 8.150 nan 0.000 0.483 100 N N 0.420 119.134 118.700 0.022 0.000 2.381 100 N HA 0.437 5.177 4.740 -0.000 0.000 0.241 100 N C 0.278 175.789 175.510 0.001 0.000 1.279 100 N CA 0.860 53.915 53.050 0.008 0.000 0.896 100 N CB 0.709 39.203 38.487 0.011 0.000 1.118 100 N HN 1.061 nan 8.380 nan 0.000 0.438 101 A N 1.320 124.137 122.820 -0.005 0.000 2.327 101 A HA 0.441 4.761 4.320 -0.000 0.000 0.283 101 A C 0.360 177.918 177.584 -0.043 0.000 1.127 101 A CA -0.527 51.500 52.037 -0.016 0.000 0.810 101 A CB 0.028 19.020 19.000 -0.014 0.000 1.066 101 A HN 0.620 nan 8.150 nan 0.000 0.492 102 I N 3.223 123.752 120.570 -0.068 0.000 2.337 102 I HA 0.168 4.337 4.170 -0.000 0.000 0.291 102 I C -0.055 175.994 176.117 -0.114 0.000 1.046 102 I CA -0.463 60.737 61.300 -0.167 0.000 1.324 102 I CB 0.963 38.820 38.000 -0.238 0.000 1.409 102 I HN 0.318 nan 8.210 nan 0.000 0.494 103 V N 6.463 126.250 119.914 -0.211 0.000 3.051 103 V HA -0.042 4.078 4.120 -0.000 0.000 0.306 103 V C 1.288 177.331 176.094 -0.085 0.000 1.083 103 V CA -0.375 61.816 62.300 -0.181 0.000 1.104 103 V CB 0.790 32.322 31.823 -0.484 0.000 1.027 103 V HN 0.944 nan 8.190 nan 0.000 0.483 104 W N 1.347 122.688 121.300 0.068 0.000 2.364 104 W HA -0.178 4.482 4.660 -0.000 0.000 0.281 104 W C 1.353 177.964 176.519 0.153 0.000 1.219 104 W CA 1.085 58.516 57.345 0.144 0.000 1.220 104 W CB -0.795 28.822 29.460 0.262 0.000 1.127 104 W HN 0.668 nan 8.180 nan 0.000 0.556 105 Q N 1.236 120.639 119.800 -0.662 0.000 2.172 105 Q HA -0.073 4.267 4.340 -0.000 0.000 0.200 105 Q C 1.505 177.319 176.000 -0.310 0.000 0.964 105 Q CA 0.948 56.366 55.803 -0.641 0.000 0.855 105 Q CB -0.230 28.028 28.738 -0.801 0.000 0.918 105 Q HN 0.081 nan 8.270 nan 0.000 0.444 106 S N 0.123 115.659 115.700 -0.272 0.000 2.558 106 S HA -0.001 4.469 4.470 -0.000 0.000 0.287 106 S C 0.588 175.041 174.600 -0.244 0.000 1.321 106 S CA 0.071 58.123 58.200 -0.246 0.000 1.048 106 S CB 0.582 63.578 63.200 -0.340 0.000 0.844 106 S HN 0.194 nan 8.310 nan 0.000 0.512 107 R N 1.374 121.728 120.500 -0.243 0.000 2.543 107 R HA 0.194 4.533 4.340 -0.000 0.000 0.323 107 R C 1.965 178.073 176.300 -0.321 0.000 1.002 107 R CA 0.167 56.149 56.100 -0.198 0.000 1.106 107 R CB 0.050 30.303 30.300 -0.077 0.000 1.280 107 R HN 0.859 nan 8.270 nan 0.000 0.549 108 Q N -0.648 118.722 119.800 -0.717 0.000 2.437 108 Q HA -0.071 4.269 4.340 -0.000 0.000 0.210 108 Q C 0.430 175.980 176.000 -0.750 0.000 0.972 108 Q CA 1.666 56.746 55.803 -1.205 0.000 0.903 108 Q CB 0.139 27.372 28.738 -2.509 0.000 0.967 108 Q HN 0.206 nan 8.270 nan 0.000 0.486 109 S N -0.978 114.446 115.700 -0.460 0.000 2.572 109 S HA 0.230 4.700 4.470 -0.000 0.000 0.228 109 S C 1.303 175.888 174.600 -0.025 0.000 0.963 109 S CA -0.084 58.024 58.200 -0.152 0.000 0.939 109 S CB 0.623 63.763 63.200 -0.101 0.000 0.804 109 S HN 0.236 nan 8.310 nan 0.000 0.480 110 S N 3.577 119.251 115.700 -0.044 0.000 2.374 110 S HA -0.030 4.440 4.470 -0.000 0.000 0.227 110 S C -0.789 173.846 174.600 0.058 0.000 1.037 110 S CA 1.577 59.788 58.200 0.019 0.000 1.024 110 S CB -1.304 61.908 63.200 0.021 0.000 0.861 110 S HN 0.498 nan 8.310 nan 0.000 0.456 111 P HA -0.004 nan 4.420 nan 0.000 0.216 111 P C 1.274 178.623 177.300 0.082 0.000 1.153 111 P CA 0.868 64.020 63.100 0.088 0.000 0.848 111 P CB -0.091 31.678 31.700 0.114 0.000 0.787 112 I N -0.737 119.889 120.570 0.093 0.000 2.226 112 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 112 I C 2.308 178.472 176.117 0.077 0.000 1.100 112 I CA 1.437 62.786 61.300 0.082 0.000 1.374 112 I CB -0.845 37.211 38.000 0.093 0.000 1.057 112 I HN -0.083 nan 8.210 nan 0.000 0.413 113 A N 0.668 123.537 122.820 0.081 0.000 1.877 113 A HA -0.230 4.090 4.320 -0.000 0.000 0.216 113 A C 1.991 179.628 177.584 0.089 0.000 1.186 113 A CA 1.978 54.070 52.037 0.093 0.000 0.620 113 A CB -0.588 18.472 19.000 0.101 0.000 0.822 113 A HN 0.353 nan 8.150 nan 0.000 0.443 114 D N -0.895 119.552 120.400 0.077 0.000 2.117 114 D HA -0.174 4.466 4.640 -0.000 0.000 0.197 114 D C 2.053 178.390 176.300 0.062 0.000 0.987 114 D CA 1.793 55.834 54.000 0.068 0.000 0.829 114 D CB -0.341 40.494 40.800 0.058 0.000 0.961 114 D HN 0.547 nan 8.370 nan 0.000 0.460 115 Q N 0.561 120.398 119.800 0.063 0.000 2.135 115 Q HA -0.075 4.265 4.340 -0.000 0.000 0.204 115 Q C 2.187 178.232 176.000 0.075 0.000 0.981 115 Q CA 0.968 56.806 55.803 0.059 0.000 0.856 115 Q CB -0.305 28.467 28.738 0.055 0.000 0.902 115 Q HN 0.307 nan 8.270 nan 0.000 0.425 116 L N -0.239 121.042 121.223 0.095 0.000 2.109 116 L HA -0.060 4.280 4.340 -0.000 0.000 0.207 116 L C 2.349 179.290 176.870 0.119 0.000 1.086 116 L CA 1.142 56.067 54.840 0.142 0.000 0.760 116 L CB -0.326 41.812 42.059 0.131 0.000 0.910 116 L HN 0.133 nan 8.230 nan 0.000 0.437 117 K N -0.217 120.235 120.400 0.086 0.000 2.504 117 K HA -0.061 4.259 4.320 -0.000 0.000 0.195 117 K C 1.584 178.202 176.600 0.030 0.000 1.036 117 K CA 0.440 56.765 56.287 0.063 0.000 0.984 117 K CB 0.318 32.858 32.500 0.067 0.000 0.788 117 K HN 0.123 nan 8.250 nan 0.000 0.488 118 V N 0.649 120.577 119.914 0.024 0.000 2.949 118 V HA -0.062 4.057 4.120 -0.000 0.000 0.245 118 V C 0.698 176.766 176.094 -0.043 0.000 1.086 118 V CA 0.986 63.285 62.300 -0.001 0.000 1.097 118 V CB 0.257 32.086 31.823 0.010 0.000 0.762 118 V HN 0.219 nan 8.190 nan 0.000 0.470 119 D N 1.145 121.505 120.400 -0.066 0.000 2.323 119 D HA 0.158 4.798 4.640 -0.000 0.000 0.239 119 D C 1.621 177.666 176.300 -0.426 0.000 1.129 119 D CA 0.926 54.805 54.000 -0.202 0.000 0.865 119 D CB -0.026 40.685 40.800 -0.148 0.000 0.913 119 D HN 0.457 nan 8.370 nan 0.000 0.517 120 G N 1.590 110.252 108.800 -0.231 0.000 2.305 120 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.287 120 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.287 120 G C 0.651 175.424 174.900 -0.213 0.000 1.036 120 G CA 0.034 45.019 45.100 -0.190 0.000 0.887 120 G HN 0.445 nan 8.290 nan 0.000 0.505 121 H N -0.707 118.373 119.070 0.017 0.000 2.622 121 H HA 0.116 4.671 4.556 -0.000 0.000 0.269 121 H C 2.509 177.852 175.328 0.024 0.000 0.977 121 H CA 0.943 57.002 56.048 0.019 0.000 1.179 121 H CB 0.101 29.875 29.762 0.019 0.000 1.458 121 H HN 0.394 nan 8.280 nan 0.000 0.531 122 T N 0.737 115.359 114.554 0.114 0.000 2.685 122 T HA -0.216 4.134 4.350 -0.000 0.000 0.268 122 T C 1.900 176.649 174.700 0.081 0.000 1.034 122 T CA 1.812 63.960 62.100 0.080 0.000 1.149 122 T CB 0.200 69.090 68.868 0.037 0.000 0.860 122 T HN 0.515 nan 8.240 nan 0.000 0.449 123 E N 0.342 120.584 120.200 0.070 0.000 2.028 123 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 123 E C 2.306 178.967 176.600 0.102 0.000 0.988 123 E CA 0.784 57.228 56.400 0.075 0.000 0.799 123 E CB -0.196 29.531 29.700 0.045 0.000 0.755 123 E HN 0.325 nan 8.360 nan 0.000 0.447 124 M N 0.696 120.355 119.600 0.098 0.000 2.149 124 M HA -0.169 4.311 4.480 -0.000 0.000 0.261 124 M C 1.919 178.255 176.300 0.061 0.000 1.064 124 M CA 1.242 56.591 55.300 0.082 0.000 1.102 124 M CB -0.271 32.390 32.600 0.102 0.000 1.369 124 M HN 0.167 nan 8.290 nan 0.000 0.408 125 I N 0.093 120.704 120.570 0.069 0.000 2.202 125 I HA -0.267 3.903 4.170 -0.000 0.000 0.242 125 I C 2.512 178.638 176.117 0.015 0.000 1.091 125 I CA 1.686 63.004 61.300 0.030 0.000 1.368 125 I CB -1.026 36.996 38.000 0.038 0.000 1.058 125 I HN 0.421 nan 8.210 nan 0.000 0.410 126 H N 0.804 119.859 119.070 -0.026 0.000 2.387 126 H HA -0.130 4.426 4.556 -0.000 0.000 0.299 126 H C 2.030 177.357 175.328 -0.002 0.000 1.090 126 H CA 1.943 57.968 56.048 -0.037 0.000 1.332 126 H CB 0.080 29.823 29.762 -0.032 0.000 1.386 126 H HN 0.411 nan 8.280 nan 0.000 0.516 127 E N -0.107 120.112 120.200 0.033 0.000 2.204 127 E HA -0.119 4.231 4.350 -0.000 0.000 0.194 127 E C 1.854 178.496 176.600 0.071 0.000 0.989 127 E CA 0.968 57.392 56.400 0.039 0.000 0.824 127 E CB 0.147 29.882 29.700 0.059 0.000 0.756 127 E HN 0.547 nan 8.360 nan 0.000 0.477 128 K N -0.095 120.304 120.400 -0.002 0.000 2.202 128 K HA 0.002 4.322 4.320 -0.000 0.000 0.201 128 K C 2.186 178.688 176.600 -0.163 0.000 1.051 128 K CA 1.433 57.705 56.287 -0.026 0.000 0.977 128 K CB 0.310 32.791 32.500 -0.030 0.000 0.792 128 K HN 0.095 nan 8.250 nan 0.000 0.469 129 T N -3.422 111.022 114.554 -0.182 0.000 2.990 129 T HA 0.203 4.553 4.350 -0.000 0.000 0.250 129 T C 1.488 176.015 174.700 -0.288 0.000 1.041 129 T CA 0.458 62.428 62.100 -0.216 0.000 1.010 129 T CB 0.681 69.439 68.868 -0.182 0.000 1.003 129 T HN 0.281 nan 8.240 nan 0.000 0.499 130 G N 1.374 109.934 108.800 -0.399 0.000 2.162 130 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.260 130 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.260 130 G C -0.024 174.680 174.900 -0.326 0.000 0.976 130 G CA 0.599 45.416 45.100 -0.472 0.000 0.655 130 G HN 0.640 nan 8.290 nan 0.000 0.533 131 L N -0.801 120.252 121.223 -0.283 0.000 2.391 131 L HA 0.902 5.242 4.340 -0.000 0.000 0.266 131 L C 0.785 177.632 176.870 -0.038 0.000 1.035 131 L CA -1.172 53.518 54.840 -0.251 0.000 0.877 131 L CB 1.439 43.047 42.059 -0.752 0.000 1.504 131 L HN 0.303 nan 8.230 nan 0.000 0.503 132 V N -1.921 117.940 119.914 -0.087 0.000 2.823 132 V HA 0.490 4.610 4.120 -0.000 0.000 0.312 132 V C -0.223 175.946 176.094 0.124 0.000 1.072 132 V CA -0.833 61.458 62.300 -0.015 0.000 0.937 132 V CB 1.808 33.492 31.823 -0.232 0.000 1.013 132 V HN 0.494 nan 8.190 nan 0.000 0.430 133 I N 3.196 123.834 120.570 0.114 0.000 2.664 133 I HA 0.361 4.531 4.170 -0.000 0.000 0.284 133 I C -0.034 176.229 176.117 0.244 0.000 1.154 133 I CA 1.114 62.519 61.300 0.176 0.000 1.402 133 I CB -0.116 37.960 38.000 0.127 0.000 1.395 133 I HN 0.934 nan 8.210 nan 0.000 0.545 134 D N 4.026 124.641 120.400 0.359 0.000 2.648 134 D HA 0.400 5.039 4.640 -0.000 0.000 0.244 134 D C 0.212 176.650 176.300 0.230 0.000 1.244 134 D CA -0.438 53.737 54.000 0.292 0.000 0.772 134 D CB 1.436 42.445 40.800 0.348 0.000 1.379 134 D HN 0.382 nan 8.370 nan 0.000 0.428 135 A N 1.397 124.288 122.820 0.119 0.000 2.216 135 A HA -0.085 4.235 4.320 -0.000 0.000 0.214 135 A C 1.520 179.123 177.584 0.032 0.000 1.160 135 A CA 0.924 52.989 52.037 0.048 0.000 0.725 135 A CB -0.765 18.218 19.000 -0.027 0.000 0.784 135 A HN 0.603 nan 8.150 nan 0.000 0.472 136 Y N 0.226 120.403 120.300 -0.205 0.000 2.181 136 Y HA -0.045 4.505 4.550 -0.000 0.000 0.288 136 Y C 0.123 175.823 175.900 -0.332 0.000 1.146 136 Y CA -0.066 57.826 58.100 -0.346 0.000 1.164 136 Y CB -0.542 37.588 38.460 -0.550 0.000 0.982 136 Y HN 0.237 nan 8.280 nan 0.000 0.515 137 F N -0.223 119.796 119.950 0.115 0.000 2.371 137 F HA 0.251 4.778 4.527 -0.000 0.000 0.329 137 F C 1.863 177.683 175.800 0.034 0.000 1.107 137 F CA 0.020 58.017 58.000 -0.004 0.000 1.137 137 F CB 0.499 39.512 39.000 0.022 0.000 1.214 137 F HN -0.295 nan 8.300 nan 0.000 0.536 138 S N 1.401 117.243 115.700 0.236 0.000 2.372 138 S HA -0.309 4.161 4.470 -0.000 0.000 0.227 138 S C 2.323 176.934 174.600 0.019 0.000 1.044 138 S CA 1.545 59.839 58.200 0.156 0.000 1.050 138 S CB -0.631 62.736 63.200 0.278 0.000 0.901 138 S HN 0.777 nan 8.310 nan 0.000 0.447 139 A N 1.522 124.357 122.820 0.025 0.000 1.909 139 A HA -0.286 4.034 4.320 -0.000 0.000 0.221 139 A C 2.440 179.999 177.584 -0.042 0.000 1.223 139 A CA 2.814 54.819 52.037 -0.053 0.000 0.658 139 A CB -1.697 17.312 19.000 0.015 0.000 0.831 139 A HN 0.709 nan 8.150 nan 0.000 0.462 140 T N -3.029 111.544 114.554 0.032 0.000 3.067 140 T HA 0.068 4.418 4.350 -0.000 0.000 0.261 140 T C 1.607 176.333 174.700 0.044 0.000 1.110 140 T CA 1.222 63.346 62.100 0.041 0.000 1.113 140 T CB -0.117 68.793 68.868 0.069 0.000 0.917 140 T HN 0.591 nan 8.240 nan 0.000 0.499 141 K N 0.839 121.248 120.400 0.015 0.000 2.167 141 K HA 0.118 4.438 4.320 -0.000 0.000 0.203 141 K C 2.178 178.809 176.600 0.053 0.000 1.052 141 K CA 0.778 57.072 56.287 0.013 0.000 0.956 141 K CB -0.187 32.310 32.500 -0.005 0.000 0.735 141 K HN 0.200 nan 8.250 nan 0.000 0.451 142 V N 1.350 121.232 119.914 -0.053 0.000 2.548 142 V HA -0.164 3.956 4.120 -0.000 0.000 0.249 142 V C 2.274 178.329 176.094 -0.065 0.000 1.055 142 V CA 1.502 63.729 62.300 -0.121 0.000 1.065 142 V CB -0.389 31.188 31.823 -0.410 0.000 0.681 142 V HN 0.209 nan 8.190 nan 0.000 0.462 143 R N -0.431 120.046 120.500 -0.040 0.000 2.090 143 R HA -0.168 4.171 4.340 -0.000 0.000 0.228 143 R C 1.930 178.243 176.300 0.021 0.000 1.110 143 R CA 1.564 57.648 56.100 -0.027 0.000 0.973 143 R CB -0.759 29.529 30.300 -0.019 0.000 0.869 143 R HN 0.589 nan 8.270 nan 0.000 0.440 144 W N 0.235 121.478 121.300 -0.095 0.000 2.363 144 W HA -0.075 4.585 4.660 -0.000 0.000 0.296 144 W C 1.245 177.715 176.519 -0.083 0.000 1.212 144 W CA 1.379 58.667 57.345 -0.095 0.000 1.260 144 W CB -0.029 29.348 29.460 -0.138 0.000 1.131 144 W HN 0.104 nan 8.180 nan 0.000 0.530 145 L N -0.013 121.335 121.223 0.208 0.000 2.109 145 L HA -0.170 4.170 4.340 -0.000 0.000 0.207 145 L C 2.242 179.050 176.870 -0.103 0.000 1.086 145 L CA 0.889 55.782 54.840 0.088 0.000 0.760 145 L CB -0.730 41.420 42.059 0.151 0.000 0.910 145 L HN 0.000 nan 8.230 nan 0.000 0.437 146 L N -0.728 120.437 121.223 -0.097 0.000 2.478 146 L HA -0.095 4.245 4.340 -0.000 0.000 0.223 146 L C 1.303 178.078 176.870 -0.158 0.000 1.140 146 L CA 0.398 55.168 54.840 -0.116 0.000 0.842 146 L CB -0.274 41.724 42.059 -0.100 0.000 0.953 146 L HN 0.218 nan 8.230 nan 0.000 0.452 147 D N -0.743 119.517 120.400 -0.233 0.000 2.388 147 D HA 0.008 4.648 4.640 -0.000 0.000 0.208 147 D C 1.229 177.313 176.300 -0.361 0.000 1.035 147 D CA 0.566 54.406 54.000 -0.267 0.000 0.875 147 D CB 0.320 40.959 40.800 -0.268 0.000 0.984 147 D HN 0.205 nan 8.370 nan 0.000 0.508 148 N N -0.088 118.295 118.700 -0.527 0.000 2.160 148 N HA 0.082 4.822 4.740 -0.000 0.000 0.226 148 N C -0.393 174.908 175.510 -0.347 0.000 1.256 148 N CA -0.077 52.647 53.050 -0.543 0.000 0.890 148 N CB 2.019 39.891 38.487 -1.026 0.000 1.116 148 N HN 0.051 nan 8.380 nan 0.000 0.517 149 I N 1.931 122.354 120.570 -0.245 0.000 2.354 149 I HA 0.189 4.358 4.170 -0.000 0.000 0.286 149 I C 0.367 176.428 176.117 -0.093 0.000 1.007 149 I CA -0.766 60.460 61.300 -0.123 0.000 1.167 149 I CB 0.674 38.633 38.000 -0.067 0.000 1.320 149 I HN -0.136 nan 8.210 nan 0.000 0.458 150 E N 4.549 124.707 120.200 -0.070 0.000 3.250 150 E HA -0.036 4.314 4.350 -0.000 0.000 0.244 150 E C 1.230 177.802 176.600 -0.048 0.000 0.931 150 E CA 1.068 57.436 56.400 -0.054 0.000 0.954 150 E CB 0.071 29.750 29.700 -0.035 0.000 0.894 150 E HN 0.919 nan 8.360 nan 0.000 0.560 151 G N 2.885 111.653 108.800 -0.052 0.000 2.258 151 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.274 151 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.274 151 G C 0.923 175.793 174.900 -0.050 0.000 1.021 151 G CA 0.537 45.609 45.100 -0.046 0.000 0.798 151 G HN 0.691 nan 8.290 nan 0.000 0.507 152 A N -0.990 121.793 122.820 -0.061 0.000 1.897 152 A HA 0.094 4.413 4.320 -0.000 0.000 0.215 152 A C 2.200 179.742 177.584 -0.069 0.000 1.181 152 A CA 2.217 54.217 52.037 -0.062 0.000 0.620 152 A CB -0.291 18.669 19.000 -0.067 0.000 0.821 152 A HN 0.731 nan 8.150 nan 0.000 0.443 153 Q N 0.139 119.894 119.800 -0.074 0.000 2.061 153 Q HA -0.215 4.125 4.340 -0.000 0.000 0.204 153 Q C 1.726 177.688 176.000 -0.064 0.000 0.984 153 Q CA 2.344 58.103 55.803 -0.074 0.000 0.846 153 Q CB -0.318 28.375 28.738 -0.074 0.000 0.902 153 Q HN 0.624 nan 8.270 nan 0.000 0.421 154 E N 0.361 120.528 120.200 -0.055 0.000 2.085 154 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 154 E C 1.864 178.436 176.600 -0.046 0.000 0.994 154 E CA 1.456 57.828 56.400 -0.046 0.000 0.801 154 E CB -0.160 29.517 29.700 -0.039 0.000 0.743 154 E HN 0.377 nan 8.360 nan 0.000 0.453 155 K N 0.076 120.447 120.400 -0.048 0.000 2.148 155 K HA 0.013 4.333 4.320 -0.000 0.000 0.204 155 K C 2.059 178.621 176.600 -0.064 0.000 1.050 155 K CA 0.993 57.250 56.287 -0.049 0.000 0.942 155 K CB -0.101 32.371 32.500 -0.046 0.000 0.724 155 K HN 0.125 nan 8.250 nan 0.000 0.446 156 A N 1.683 124.458 122.820 -0.074 0.000 1.898 156 A HA -0.182 4.137 4.320 -0.000 0.000 0.216 156 A C 1.414 178.951 177.584 -0.079 0.000 1.181 156 A CA 1.876 53.859 52.037 -0.090 0.000 0.620 156 A CB -0.383 18.559 19.000 -0.097 0.000 0.819 156 A HN 0.177 nan 8.150 nan 0.000 0.442 157 D N 0.251 120.612 120.400 -0.065 0.000 2.219 157 D HA -0.075 4.565 4.640 -0.000 0.000 0.205 157 D C 1.020 177.292 176.300 -0.047 0.000 0.970 157 D CA 0.842 54.809 54.000 -0.055 0.000 0.851 157 D CB -0.157 40.614 40.800 -0.048 0.000 0.943 157 D HN 0.363 nan 8.370 nan 0.000 0.488 158 N N 0.011 118.683 118.700 -0.045 0.000 2.383 158 N HA 0.098 4.838 4.740 -0.000 0.000 0.192 158 N C 0.941 176.427 175.510 -0.040 0.000 1.141 158 N CA 0.665 53.693 53.050 -0.036 0.000 0.851 158 N CB 0.751 39.220 38.487 -0.030 0.000 0.976 158 N HN 0.148 nan 8.380 nan 0.000 0.465 159 G N 1.355 110.122 108.800 -0.055 0.000 2.246 159 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.273 159 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.273 159 G C 0.632 175.490 174.900 -0.071 0.000 1.055 159 G CA 0.382 45.444 45.100 -0.065 0.000 0.851 159 G HN 0.441 nan 8.290 nan 0.000 0.500 160 E N -1.156 118.999 120.200 -0.075 0.000 2.364 160 E HA 0.235 4.585 4.350 -0.000 0.000 0.196 160 E C 1.283 177.810 176.600 -0.121 0.000 0.990 160 E CA 0.148 56.505 56.400 -0.070 0.000 0.886 160 E CB 0.330 30.003 29.700 -0.045 0.000 0.866 160 E HN 0.592 nan 8.360 nan 0.000 0.493 161 L N 1.565 122.689 121.223 -0.165 0.000 2.344 161 L HA 0.462 4.802 4.340 -0.000 0.000 0.272 161 L C -0.330 176.291 176.870 -0.414 0.000 1.035 161 L CA -0.675 54.008 54.840 -0.262 0.000 0.807 161 L CB 1.257 43.200 42.059 -0.195 0.000 1.237 161 L HN -0.045 nan 8.230 nan 0.000 0.442 162 L N 2.197 122.973 121.223 -0.744 0.000 2.362 162 L HA 0.473 4.813 4.340 -0.000 0.000 0.275 162 L C -0.784 175.467 176.870 -1.030 0.000 0.998 162 L CA -0.497 53.718 54.840 -1.042 0.000 0.820 162 L CB 2.195 43.195 42.059 -1.765 0.000 1.270 162 L HN 0.391 nan 8.230 nan 0.000 0.415 163 F N 2.051 121.611 119.950 -0.650 0.000 2.432 163 F HA 0.885 5.412 4.527 -0.000 0.000 0.329 163 F C 0.119 175.791 175.800 -0.213 0.000 1.076 163 F CA -0.604 57.158 58.000 -0.396 0.000 1.018 163 F CB 1.941 40.794 39.000 -0.245 0.000 1.201 163 F HN 0.390 nan 8.300 nan 0.000 0.489 164 G N 1.912 110.003 108.800 -1.181 0.000 2.596 164 G HA2 0.446 4.406 3.960 -0.000 0.000 0.296 164 G HA3 0.446 4.406 3.960 -0.000 0.000 0.296 164 G C -1.260 173.402 174.900 -0.397 0.000 1.513 164 G CA -0.397 44.198 45.100 -0.841 0.000 0.851 164 G HN 0.894 nan 8.290 nan 0.000 0.548 165 T N 0.038 114.431 114.554 -0.267 0.000 2.754 165 T HA 0.370 4.719 4.350 -0.000 0.000 0.286 165 T C 1.745 176.503 174.700 0.097 0.000 0.997 165 T CA -0.724 61.373 62.100 -0.006 0.000 0.982 165 T CB 0.885 69.767 68.868 0.023 0.000 1.027 165 T HN 0.268 nan 8.240 nan 0.000 0.529 166 I N 1.998 122.651 120.570 0.137 0.000 2.315 166 I HA -0.193 3.976 4.170 -0.000 0.000 0.251 166 I C 2.414 178.641 176.117 0.183 0.000 1.125 166 I CA 1.691 63.109 61.300 0.197 0.000 1.392 166 I CB -1.349 36.762 38.000 0.185 0.000 1.065 166 I HN 0.833 nan 8.210 nan 0.000 0.424 167 D N 0.048 120.504 120.400 0.093 0.000 2.117 167 D HA -0.144 4.496 4.640 -0.000 0.000 0.197 167 D C 1.951 178.270 176.300 0.032 0.000 0.987 167 D CA 1.294 55.314 54.000 0.033 0.000 0.829 167 D CB -0.463 40.312 40.800 -0.042 0.000 0.961 167 D HN 0.201 nan 8.370 nan 0.000 0.460 168 S N -0.120 115.618 115.700 0.064 0.000 2.383 168 S HA -0.104 4.366 4.470 -0.000 0.000 0.227 168 S C 1.477 176.242 174.600 0.274 0.000 1.026 168 S CA 0.723 59.004 58.200 0.133 0.000 0.981 168 S CB -0.591 62.677 63.200 0.115 0.000 0.818 168 S HN 0.510 nan 8.310 nan 0.000 0.472 169 W N 2.324 123.631 121.300 0.012 0.000 2.355 169 W HA -0.140 4.520 4.660 -0.000 0.000 0.309 169 W C 1.435 177.849 176.519 -0.175 0.000 1.206 169 W CA 1.019 58.207 57.345 -0.261 0.000 1.284 169 W CB -0.353 28.961 29.460 -0.243 0.000 1.145 169 W HN 0.258 nan 8.180 nan 0.000 0.502 170 L N 0.347 121.508 121.223 -0.104 0.000 2.046 170 L HA -0.248 4.092 4.340 -0.000 0.000 0.208 170 L C 2.424 179.182 176.870 -0.186 0.000 1.077 170 L CA 1.140 55.882 54.840 -0.165 0.000 0.747 170 L CB -1.429 40.680 42.059 0.082 0.000 0.896 170 L HN -0.175 nan 8.230 nan 0.000 0.432 171 V N -1.177 118.687 119.914 -0.083 0.000 2.343 171 V HA -0.287 3.833 4.120 -0.000 0.000 0.247 171 V C 2.127 178.158 176.094 -0.105 0.000 1.051 171 V CA 1.826 64.080 62.300 -0.077 0.000 1.036 171 V CB -0.582 31.207 31.823 -0.057 0.000 0.654 171 V HN 0.565 nan 8.190 nan 0.000 0.451 172 W N 1.097 122.233 121.300 -0.273 0.000 2.338 172 W HA -0.160 4.500 4.660 -0.000 0.000 0.304 172 W C 2.475 178.657 176.519 -0.563 0.000 1.212 172 W CA 1.670 58.831 57.345 -0.307 0.000 1.264 172 W CB -0.000 29.301 29.460 -0.264 0.000 1.142 172 W HN 0.039 nan 8.180 nan 0.000 0.512 173 K N -0.111 119.855 120.400 -0.723 0.000 2.062 173 K HA -0.053 4.267 4.320 -0.000 0.000 0.205 173 K C 2.027 178.161 176.600 -0.775 0.000 1.051 173 K CA 1.280 56.881 56.287 -1.143 0.000 0.941 173 K CB -1.132 30.051 32.500 -2.195 0.000 0.719 173 K HN 0.311 nan 8.250 nan 0.000 0.440 174 L N 1.217 122.168 121.223 -0.453 0.000 2.141 174 L HA -0.119 4.221 4.340 -0.000 0.000 0.209 174 L C 2.098 178.816 176.870 -0.252 0.000 1.094 174 L CA 1.614 56.353 54.840 -0.167 0.000 0.763 174 L CB -0.639 41.399 42.059 -0.035 0.000 0.908 174 L HN 0.267 nan 8.230 nan 0.000 0.437 175 T N -5.309 109.048 114.554 -0.327 0.000 3.145 175 T HA 0.062 4.412 4.350 -0.000 0.000 0.255 175 T C 0.561 174.997 174.700 -0.440 0.000 1.039 175 T CA -0.091 61.806 62.100 -0.338 0.000 0.928 175 T CB -0.135 68.563 68.868 -0.283 0.000 1.029 175 T HN 0.213 nan 8.240 nan 0.000 0.554 176 D N 1.392 121.460 120.400 -0.553 0.000 2.740 176 D HA -0.136 4.504 4.640 -0.000 0.000 0.231 176 D C 1.280 177.100 176.300 -0.800 0.000 1.194 176 D CA 1.551 55.177 54.000 -0.623 0.000 0.673 176 D CB -1.540 39.058 40.800 -0.335 0.000 0.995 176 D HN 0.928 nan 8.370 nan 0.000 0.411 177 G N -0.179 107.788 108.800 -1.388 0.000 2.176 177 G HA2 -0.441 3.519 3.960 -0.000 0.000 0.253 177 G HA3 -0.441 3.519 3.960 -0.000 0.000 0.253 177 G C 0.798 175.372 174.900 -0.544 0.000 0.979 177 G CA 0.952 45.179 45.100 -1.455 0.000 0.641 177 G HN 0.604 nan 8.290 nan 0.000 0.530 178 Q N -0.392 119.166 119.800 -0.403 0.000 1.994 178 Q HA 0.196 4.536 4.340 -0.000 0.000 0.198 178 Q C 1.080 177.048 176.000 -0.053 0.000 0.976 178 Q CA 1.666 57.362 55.803 -0.178 0.000 0.828 178 Q CB 0.050 28.674 28.738 -0.189 0.000 0.894 178 Q HN 0.473 nan 8.270 nan 0.000 0.432 179 V N 0.651 120.538 119.914 -0.046 0.000 2.532 179 V HA 0.168 4.287 4.120 -0.000 0.000 0.295 179 V C -0.875 175.416 176.094 0.327 0.000 1.041 179 V CA -0.527 61.831 62.300 0.096 0.000 0.926 179 V CB 1.354 33.196 31.823 0.031 0.000 0.992 179 V HN 0.316 nan 8.190 nan 0.000 0.457 180 H N 3.110 122.313 119.070 0.222 0.000 2.716 180 H HA 0.699 5.255 4.556 -0.000 0.000 0.260 180 H C -1.164 174.247 175.328 0.139 0.000 1.280 180 H CA -0.187 56.027 56.048 0.276 0.000 1.506 180 H CB 1.112 31.033 29.762 0.265 0.000 1.514 180 H HN 0.458 nan 8.280 nan 0.000 0.502 181 V N 3.286 123.161 119.914 -0.064 0.000 3.141 181 V HA 0.791 4.911 4.120 -0.000 0.000 0.312 181 V C -0.883 175.082 176.094 -0.215 0.000 1.157 181 V CA -0.194 62.017 62.300 -0.148 0.000 1.041 181 V CB 2.484 34.264 31.823 -0.072 0.000 1.071 181 V HN 0.739 nan 8.190 nan 0.000 0.441 182 T N 1.417 115.835 114.554 -0.227 0.000 2.843 182 T HA 0.560 4.909 4.350 -0.000 0.000 0.302 182 T C -1.717 172.795 174.700 -0.314 0.000 1.232 182 T CA -0.071 61.881 62.100 -0.248 0.000 1.009 182 T CB 1.634 70.403 68.868 -0.165 0.000 1.254 182 T HN 1.053 nan 8.240 nan 0.000 0.504 183 D N 0.118 120.333 120.400 -0.309 0.000 2.385 183 D HA 0.395 5.035 4.640 -0.000 0.000 0.254 183 D C 0.722 176.819 176.300 -0.338 0.000 1.053 183 D CA -0.555 53.251 54.000 -0.323 0.000 0.992 183 D CB 0.422 41.101 40.800 -0.201 0.000 1.145 183 D HN 0.412 nan 8.370 nan 0.000 0.523 184 Y N 0.215 120.388 120.300 -0.212 0.000 2.081 184 Y HA -0.240 4.310 4.550 -0.000 0.000 0.280 184 Y C 2.887 178.633 175.900 -0.256 0.000 1.163 184 Y CA 1.865 59.793 58.100 -0.286 0.000 1.135 184 Y CB -1.118 37.240 38.460 -0.170 0.000 0.970 184 Y HN 0.564 nan 8.280 nan 0.000 0.498 185 S N 0.027 115.742 115.700 0.026 0.000 2.359 185 S HA -0.247 4.223 4.470 -0.000 0.000 0.223 185 S C 1.911 176.482 174.600 -0.049 0.000 1.039 185 S CA 1.579 59.777 58.200 -0.004 0.000 1.042 185 S CB -0.782 62.435 63.200 0.029 0.000 0.915 185 S HN 0.478 nan 8.310 nan 0.000 0.439 186 N N 2.447 121.102 118.700 -0.076 0.000 2.084 186 N HA 0.015 4.755 4.740 -0.000 0.000 0.190 186 N C 2.073 177.543 175.510 -0.067 0.000 1.030 186 N CA 1.498 54.512 53.050 -0.061 0.000 0.849 186 N CB -0.794 37.653 38.487 -0.067 0.000 1.012 186 N HN 0.623 nan 8.380 nan 0.000 0.423 187 A N 0.985 123.681 122.820 -0.207 0.000 1.972 187 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 187 A C 2.329 179.772 177.584 -0.235 0.000 1.169 187 A CA 1.940 53.774 52.037 -0.338 0.000 0.635 187 A CB -0.647 17.758 19.000 -0.992 0.000 0.810 187 A HN 0.472 nan 8.150 nan 0.000 0.446 188 S N -1.108 114.484 115.700 -0.181 0.000 2.507 188 S HA -0.021 4.449 4.470 -0.000 0.000 0.235 188 S C 1.548 176.150 174.600 0.003 0.000 0.988 188 S CA 0.576 58.770 58.200 -0.009 0.000 0.944 188 S CB -0.193 63.008 63.200 0.002 0.000 0.762 188 S HN 0.461 nan 8.310 nan 0.000 0.526 189 R N 1.467 121.982 120.500 0.025 0.000 2.388 189 R HA 0.166 4.506 4.340 -0.000 0.000 0.247 189 R C 1.644 178.046 176.300 0.169 0.000 0.931 189 R CA 0.959 57.108 56.100 0.081 0.000 1.082 189 R CB -0.398 29.945 30.300 0.072 0.000 1.135 189 R HN 0.797 nan 8.270 nan 0.000 0.525 190 T N -3.473 111.190 114.554 0.181 0.000 3.031 190 T HA 0.092 4.442 4.350 -0.000 0.000 0.254 190 T C 1.321 176.127 174.700 0.176 0.000 1.060 190 T CA 0.343 62.605 62.100 0.270 0.000 1.135 190 T CB 0.205 69.342 68.868 0.449 0.000 0.896 190 T HN 0.205 nan 8.240 nan 0.000 0.472 191 M N -0.401 119.245 119.600 0.077 0.000 3.011 191 M HA -0.140 4.340 4.480 -0.000 0.000 0.216 191 M C -0.377 175.967 176.300 0.073 0.000 0.564 191 M CA 0.430 55.715 55.300 -0.024 0.000 0.816 191 M CB -1.528 31.034 32.600 -0.063 0.000 2.914 191 M HN 0.376 nan 8.290 nan 0.000 0.348 192 L N -0.757 120.597 121.223 0.217 0.000 2.966 192 L HA 0.293 4.633 4.340 -0.000 0.000 0.262 192 L C 0.162 177.320 176.870 0.479 0.000 1.165 192 L CA -0.219 54.796 54.840 0.292 0.000 0.978 192 L CB 0.501 42.735 42.059 0.293 0.000 1.337 192 L HN 0.350 nan 8.230 nan 0.000 0.563 193 Y N 1.360 121.779 120.300 0.199 0.000 2.360 193 Y HA 0.338 4.888 4.550 -0.000 0.000 0.337 193 Y C 0.215 176.078 175.900 -0.062 0.000 1.039 193 Y CA -1.113 56.989 58.100 0.004 0.000 1.109 193 Y CB 1.042 39.370 38.460 -0.219 0.000 1.201 193 Y HN -0.099 nan 8.280 nan 0.000 0.458 194 N N 6.946 125.309 118.700 -0.562 0.000 2.469 194 N HA 0.060 4.800 4.740 -0.000 0.000 0.239 194 N C 0.906 176.112 175.510 -0.507 0.000 1.053 194 N CA -0.045 52.763 53.050 -0.403 0.000 0.937 194 N CB 0.338 38.652 38.487 -0.288 0.000 1.163 194 N HN 0.915 nan 8.380 nan 0.000 0.509 195 I N 0.622 121.001 120.570 -0.318 0.000 3.083 195 I HA -0.100 4.070 4.170 -0.000 0.000 0.273 195 I C 0.580 176.601 176.117 -0.161 0.000 1.297 195 I CA 0.864 62.060 61.300 -0.173 0.000 1.452 195 I CB -0.254 37.692 38.000 -0.089 0.000 1.078 195 I HN 0.421 nan 8.210 nan 0.000 0.484 196 H N 1.339 120.366 119.070 -0.072 0.000 2.418 196 H HA 0.187 4.743 4.556 -0.000 0.000 0.300 196 H C 1.635 176.911 175.328 -0.086 0.000 1.041 196 H CA 0.608 56.608 56.048 -0.080 0.000 1.364 196 H CB 0.256 29.945 29.762 -0.121 0.000 1.439 196 H HN 0.227 nan 8.280 nan 0.000 0.540 197 K N 0.842 121.229 120.400 -0.022 0.000 2.393 197 K HA 0.147 4.467 4.320 -0.000 0.000 0.193 197 K C -0.329 176.195 176.600 -0.126 0.000 1.026 197 K CA 0.063 56.311 56.287 -0.064 0.000 1.064 197 K CB 0.772 33.227 32.500 -0.075 0.000 0.833 197 K HN 0.129 nan 8.250 nan 0.000 0.521 198 L N 2.355 123.441 121.223 -0.228 0.000 3.671 198 L HA -0.278 4.062 4.340 -0.000 0.000 0.609 198 L C -0.579 176.084 176.870 -0.346 0.000 1.251 198 L CA 0.592 55.284 54.840 -0.248 0.000 0.934 198 L CB -1.788 40.261 42.059 -0.018 0.000 1.496 198 L HN 0.453 nan 8.230 nan 0.000 0.854 199 E N -0.799 118.905 120.200 -0.826 0.000 2.388 199 E HA 0.357 4.707 4.350 -0.000 0.000 0.281 199 E C -1.023 175.245 176.600 -0.554 0.000 1.046 199 E CA -1.136 54.974 56.400 -0.484 0.000 0.825 199 E CB 0.640 30.237 29.700 -0.171 0.000 1.243 199 E HN 0.168 nan 8.360 nan 0.000 0.438 200 W N 1.563 122.826 121.300 -0.063 0.000 2.210 200 W HA 0.199 4.859 4.660 -0.000 0.000 0.330 200 W C 0.187 176.672 176.519 -0.056 0.000 1.334 200 W CA 0.199 57.564 57.345 0.033 0.000 1.227 200 W CB 0.606 30.133 29.460 0.112 0.000 1.178 200 W HN 0.545 nan 8.180 nan 0.000 0.560 201 D N 2.031 122.552 120.400 0.203 0.000 2.347 201 D HA -0.005 4.635 4.640 -0.000 0.000 0.235 201 D C 1.127 177.470 176.300 0.071 0.000 1.149 201 D CA -0.115 53.931 54.000 0.076 0.000 0.850 201 D CB 1.161 41.974 40.800 0.022 0.000 1.061 201 D HN 0.302 nan 8.370 nan 0.000 0.487 202 Q N 2.806 122.637 119.800 0.051 0.000 2.096 202 Q HA -0.239 4.101 4.340 -0.000 0.000 0.204 202 Q C 1.501 177.497 176.000 -0.006 0.000 0.982 202 Q CA 1.757 57.573 55.803 0.023 0.000 0.850 202 Q CB 0.022 28.771 28.738 0.018 0.000 0.901 202 Q HN 0.721 nan 8.270 nan 0.000 0.422 203 E N -0.514 119.679 120.200 -0.012 0.000 2.049 203 E HA -0.213 4.136 4.350 -0.000 0.000 0.198 203 E C 1.871 178.435 176.600 -0.060 0.000 1.007 203 E CA 1.708 58.087 56.400 -0.034 0.000 0.809 203 E CB -0.257 29.424 29.700 -0.032 0.000 0.749 203 E HN 0.524 nan 8.360 nan 0.000 0.450 204 I N 0.888 121.429 120.570 -0.049 0.000 2.361 204 I HA -0.277 3.893 4.170 -0.000 0.000 0.251 204 I C 2.391 178.470 176.117 -0.064 0.000 1.133 204 I CA 0.729 61.990 61.300 -0.066 0.000 1.413 204 I CB -0.237 37.746 38.000 -0.028 0.000 1.073 204 I HN 0.209 nan 8.210 nan 0.000 0.424 205 L N 0.251 121.447 121.223 -0.045 0.000 2.093 205 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 205 L C 2.196 179.022 176.870 -0.073 0.000 1.085 205 L CA 1.189 55.988 54.840 -0.069 0.000 0.755 205 L CB -0.623 41.397 42.059 -0.065 0.000 0.904 205 L HN 0.276 nan 8.230 nan 0.000 0.435 206 D N 0.509 120.873 120.400 -0.061 0.000 2.097 206 D HA -0.148 4.492 4.640 -0.000 0.000 0.195 206 D C 2.089 178.350 176.300 -0.066 0.000 0.989 206 D CA 1.378 55.344 54.000 -0.057 0.000 0.827 206 D CB -0.185 40.589 40.800 -0.044 0.000 0.966 206 D HN 0.303 nan 8.370 nan 0.000 0.456 207 L N -1.316 119.854 121.223 -0.088 0.000 2.456 207 L HA 0.039 4.379 4.340 -0.000 0.000 0.224 207 L C 1.727 178.551 176.870 -0.077 0.000 1.148 207 L CA 1.236 56.016 54.840 -0.100 0.000 0.825 207 L CB -0.737 41.201 42.059 -0.202 0.000 0.937 207 L HN -0.059 nan 8.230 nan 0.000 0.450 208 L N -0.153 121.023 121.223 -0.078 0.000 2.693 208 L HA 0.237 4.576 4.340 -0.000 0.000 0.235 208 L C 0.471 177.296 176.870 -0.075 0.000 1.127 208 L CA -0.131 54.667 54.840 -0.069 0.000 0.914 208 L CB -0.238 41.775 42.059 -0.078 0.000 1.193 208 L HN 0.467 nan 8.230 nan 0.000 0.502 209 N N 1.781 120.437 118.700 -0.073 0.000 2.696 209 N HA -0.232 4.508 4.740 -0.000 0.000 0.256 209 N C -0.822 174.632 175.510 -0.092 0.000 1.031 209 N CA 0.488 53.495 53.050 -0.072 0.000 0.730 209 N CB -1.082 37.369 38.487 -0.061 0.000 0.894 209 N HN 0.347 nan 8.380 nan 0.000 0.544 210 I N 0.958 121.462 120.570 -0.110 0.000 2.382 210 I HA 0.347 4.517 4.170 -0.000 0.000 0.286 210 I C -1.974 174.061 176.117 -0.136 0.000 1.002 210 I CA -2.099 59.116 61.300 -0.142 0.000 1.135 210 I CB 1.695 39.578 38.000 -0.195 0.000 1.288 210 I HN 0.053 nan 8.210 nan 0.000 0.448 211 P HA 0.013 nan 4.420 nan 0.000 0.267 211 P C 0.825 178.044 177.300 -0.134 0.000 1.209 211 P CA -0.004 63.030 63.100 -0.110 0.000 0.763 211 P CB 0.696 32.337 31.700 -0.098 0.000 0.816 212 S N 1.246 116.876 115.700 -0.117 0.000 2.500 212 S HA -0.153 4.317 4.470 -0.000 0.000 0.239 212 S C 1.680 176.206 174.600 -0.123 0.000 0.989 212 S CA 1.156 59.272 58.200 -0.140 0.000 0.951 212 S CB -1.068 62.084 63.200 -0.078 0.000 0.759 212 S HN 0.498 nan 8.310 nan 0.000 0.523 213 S N 1.493 117.136 115.700 -0.094 0.000 2.481 213 S HA 0.088 4.558 4.470 -0.000 0.000 0.231 213 S C 1.735 176.276 174.600 -0.099 0.000 0.996 213 S CA 0.661 58.816 58.200 -0.074 0.000 0.942 213 S CB -0.687 62.473 63.200 -0.066 0.000 0.768 213 S HN 0.550 nan 8.310 nan 0.000 0.520 214 M N 0.884 120.405 119.600 -0.133 0.000 2.419 214 M HA 0.235 4.715 4.480 -0.000 0.000 0.264 214 M C 0.131 176.392 176.300 -0.065 0.000 1.082 214 M CA 0.538 55.753 55.300 -0.142 0.000 1.119 214 M CB -0.337 32.179 32.600 -0.139 0.000 1.398 214 M HN 0.273 nan 8.290 nan 0.000 0.453 215 L N 2.689 123.824 121.223 -0.146 0.000 2.416 215 L HA 0.212 4.552 4.340 -0.000 0.000 0.272 215 L C -1.950 174.905 176.870 -0.025 0.000 1.161 215 L CA -1.779 52.910 54.840 -0.251 0.000 0.845 215 L CB -0.263 41.282 42.059 -0.857 0.000 1.119 215 L HN -0.079 nan 8.230 nan 0.000 0.464 216 P HA 0.186 nan 4.420 nan 0.000 0.278 216 P C -0.995 176.375 177.300 0.118 0.000 1.258 216 P CA -0.697 62.197 63.100 -0.342 0.000 0.811 216 P CB 0.858 32.050 31.700 -0.846 0.000 1.063 217 E N -0.107 120.118 120.200 0.043 0.000 2.373 217 E HA 0.258 4.608 4.350 -0.000 0.000 0.267 217 E C -0.448 176.158 176.600 0.011 0.000 1.032 217 E CA -0.623 55.840 56.400 0.105 0.000 0.889 217 E CB 0.622 30.363 29.700 0.069 0.000 0.984 217 E HN 0.158 nan 8.360 nan 0.000 0.425 218 V N 3.822 123.711 119.914 -0.042 0.000 2.370 218 V HA 0.247 4.367 4.120 -0.000 0.000 0.279 218 V C 0.149 176.060 176.094 -0.305 0.000 1.029 218 V CA -0.387 61.756 62.300 -0.263 0.000 0.870 218 V CB 0.928 32.486 31.823 -0.442 0.000 0.984 218 V HN 0.604 nan 8.190 nan 0.000 0.451 219 K N 1.984 122.164 120.400 -0.368 0.000 2.279 219 K HA 0.664 4.984 4.320 -0.000 0.000 0.238 219 K C 0.181 176.441 176.600 -0.568 0.000 1.084 219 K CA -0.657 55.445 56.287 -0.308 0.000 0.885 219 K CB 1.792 34.302 32.500 0.017 0.000 1.319 219 K HN 0.713 nan 8.250 nan 0.000 0.494 220 S N -0.414 115.122 115.700 -0.273 0.000 2.641 220 S HA 0.094 4.564 4.470 -0.000 0.000 0.261 220 S C 0.500 175.128 174.600 0.046 0.000 1.257 220 S CA -0.240 57.888 58.200 -0.119 0.000 0.983 220 S CB 0.395 63.660 63.200 0.110 0.000 0.990 220 S HN 0.576 nan 8.310 nan 0.000 0.572 221 N N -0.076 118.685 118.700 0.102 0.000 2.422 221 N HA 0.130 4.870 4.740 -0.000 0.000 0.181 221 N C -0.145 175.395 175.510 0.052 0.000 1.080 221 N CA 0.393 53.492 53.050 0.082 0.000 0.893 221 N CB 0.351 38.842 38.487 0.006 0.000 0.973 221 N HN 0.460 nan 8.380 nan 0.000 0.456 222 S N 0.507 116.206 115.700 -0.001 0.000 2.158 222 S HA 0.221 4.691 4.470 -0.000 0.000 0.160 222 S C -1.475 173.047 174.600 -0.130 0.000 1.693 222 S CA -0.702 57.460 58.200 -0.063 0.000 1.251 222 S CB -0.376 62.785 63.200 -0.065 0.000 1.153 222 S HN 0.334 nan 8.310 nan 0.000 0.439 223 E N 0.676 120.680 120.200 -0.327 0.000 2.401 223 E HA 0.420 4.769 4.350 -0.000 0.000 0.280 223 E C -1.518 174.645 176.600 -0.729 0.000 1.039 223 E CA -1.139 55.018 56.400 -0.404 0.000 0.814 223 E CB 0.883 30.387 29.700 -0.327 0.000 1.275 223 E HN 0.120 nan 8.360 nan 0.000 0.448 224 V N 3.310 122.956 119.914 -0.447 0.000 2.421 224 V HA 0.003 4.123 4.120 -0.000 0.000 0.271 224 V C 0.025 175.870 176.094 -0.416 0.000 1.031 224 V CA 0.176 62.249 62.300 -0.379 0.000 1.032 224 V CB -0.802 30.925 31.823 -0.159 0.000 1.009 224 V HN 0.667 nan 8.190 nan 0.000 0.477 225 Y N 3.623 123.894 120.300 -0.048 0.000 2.420 225 Y HA 0.427 4.977 4.550 -0.000 0.000 0.292 225 Y C 1.569 177.424 175.900 -0.076 0.000 1.119 225 Y CA 0.810 58.874 58.100 -0.059 0.000 1.229 225 Y CB 0.204 38.626 38.460 -0.063 0.000 1.026 225 Y HN 0.790 nan 8.280 nan 0.000 0.554 226 G N -1.155 107.661 108.800 0.027 0.000 2.360 226 G HA2 0.375 4.335 3.960 -0.000 0.000 0.276 226 G HA3 0.375 4.335 3.960 -0.000 0.000 0.276 226 G C -2.013 172.845 174.900 -0.070 0.000 1.256 226 G CA -0.621 44.421 45.100 -0.097 0.000 0.890 226 G HN 0.302 nan 8.290 nan 0.000 0.486 227 H N -1.562 117.477 119.070 -0.052 0.000 2.930 227 H HA 0.732 5.288 4.556 -0.000 0.000 0.371 227 H C 0.148 175.405 175.328 -0.119 0.000 1.169 227 H CA -0.331 55.665 56.048 -0.087 0.000 1.157 227 H CB 0.896 30.614 29.762 -0.074 0.000 1.789 227 H HN 0.753 nan 8.280 nan 0.000 0.547 228 T N 0.758 115.308 114.554 -0.006 0.000 2.940 228 T HA 0.145 4.495 4.350 -0.000 0.000 0.309 228 T C 0.487 175.176 174.700 -0.017 0.000 1.056 228 T CA -0.937 61.119 62.100 -0.072 0.000 1.137 228 T CB 0.428 69.211 68.868 -0.142 0.000 0.976 228 T HN 0.491 nan 8.240 nan 0.000 0.547 229 R N 2.523 122.913 120.500 -0.182 0.000 2.570 229 R HA 0.080 4.420 4.340 -0.000 0.000 0.277 229 R C 2.037 178.167 176.300 -0.284 0.000 1.039 229 R CA 0.580 56.480 56.100 -0.332 0.000 1.065 229 R CB 0.682 30.481 30.300 -0.834 0.000 0.964 229 R HN 1.068 nan 8.270 nan 0.000 0.428 230 S N 3.352 118.976 115.700 -0.127 0.000 2.380 230 S HA -0.254 4.216 4.470 -0.000 0.000 0.229 230 S C 1.566 176.159 174.600 -0.011 0.000 1.043 230 S CA 1.790 59.987 58.200 -0.005 0.000 1.038 230 S CB -0.604 62.643 63.200 0.077 0.000 0.872 230 S HN 0.773 nan 8.310 nan 0.000 0.456 231 Y N -0.252 120.046 120.300 -0.004 0.000 2.465 231 Y HA 0.583 5.133 4.550 -0.001 0.000 0.311 231 Y C 1.889 177.756 175.900 -0.056 0.000 1.204 231 Y CA -0.686 57.394 58.100 -0.034 0.000 1.272 231 Y CB -0.060 38.382 38.460 -0.030 0.000 1.083 231 Y HN 0.014 nan 8.280 nan 0.000 0.508 232 R N -0.532 119.791 120.500 -0.295 0.000 2.469 232 R HA 0.225 4.565 4.340 -0.000 0.000 0.250 232 R C -0.897 175.339 176.300 -0.107 0.000 0.909 232 R CA 0.042 56.026 56.100 -0.193 0.000 1.050 232 R CB 0.256 30.403 30.300 -0.255 0.000 1.256 232 R HN 0.440 nan 8.270 nan 0.000 0.550 233 F N 0.713 120.473 119.950 -0.316 0.000 2.566 233 F HA 0.202 4.729 4.527 0.000 0.000 0.352 233 F C -0.913 174.765 175.800 -0.203 0.000 1.534 233 F CA -0.664 57.152 58.000 -0.307 0.000 1.097 233 F CB 0.200 39.175 39.000 -0.042 0.000 1.488 233 F HN 0.024 nan 8.300 nan 0.000 0.562 234 Y N 0.058 120.304 120.300 -0.091 0.000 3.001 234 Y HA -0.198 4.352 4.550 0.000 0.000 0.187 234 Y C 1.439 177.315 175.900 -0.040 0.000 1.462 234 Y CA 0.592 58.621 58.100 -0.119 0.000 0.936 234 Y CB -1.555 36.730 38.460 -0.291 0.000 1.337 234 Y HN 0.678 nan 8.280 nan 0.000 0.428 235 G N -0.780 108.064 108.800 0.073 0.000 2.562 235 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.241 235 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.241 235 G C 0.362 175.308 174.900 0.076 0.000 1.120 235 G CA 0.612 45.757 45.100 0.075 0.000 0.673 235 G HN 1.474 nan 8.290 nan 0.000 0.519 236 S N 0.493 116.258 115.700 0.108 0.000 2.541 236 S HA 0.657 5.127 4.470 -0.000 0.000 0.283 236 S C -0.428 174.236 174.600 0.107 0.000 1.196 236 S CA -0.501 57.757 58.200 0.096 0.000 1.062 236 S CB 2.131 65.393 63.200 0.105 0.000 1.009 236 S HN 0.461 nan 8.310 nan 0.000 0.502 237 E N 1.736 121.947 120.200 0.019 0.000 2.014 237 E HA 0.394 4.744 4.350 -0.000 0.000 0.275 237 E C -0.956 175.615 176.600 -0.049 0.000 0.997 237 E CA -0.600 55.786 56.400 -0.023 0.000 0.804 237 E CB 1.127 30.735 29.700 -0.153 0.000 1.090 237 E HN 0.390 nan 8.360 nan 0.000 0.401 238 V N 5.112 124.978 119.914 -0.079 0.000 2.539 238 V HA 0.275 4.395 4.120 -0.000 0.000 0.292 238 V C -1.922 174.111 176.094 -0.102 0.000 1.045 238 V CA -2.143 60.081 62.300 -0.126 0.000 0.945 238 V CB 1.411 33.069 31.823 -0.275 0.000 0.993 238 V HN 0.586 nan 8.190 nan 0.000 0.464 239 P HA 0.235 nan 4.420 nan 0.000 0.271 239 P C -0.662 176.612 177.300 -0.043 0.000 1.226 239 P CA 0.088 63.177 63.100 -0.019 0.000 0.765 239 P CB 0.589 32.279 31.700 -0.018 0.000 0.835 240 I N 3.230 123.797 120.570 -0.006 0.000 2.281 240 I HA 0.236 4.406 4.170 -0.000 0.000 0.293 240 I C 1.242 177.431 176.117 0.121 0.000 1.085 240 I CA -0.130 61.204 61.300 0.056 0.000 1.257 240 I CB 0.751 38.804 38.000 0.089 0.000 1.430 240 I HN 0.356 nan 8.210 nan 0.000 0.489 241 A N 5.058 127.920 122.820 0.069 0.000 2.538 241 A HA 0.651 4.971 4.320 -0.000 0.000 0.269 241 A C 0.696 178.321 177.584 0.068 0.000 1.231 241 A CA -0.117 51.896 52.037 -0.040 0.000 0.948 241 A CB 0.326 19.284 19.000 -0.070 0.000 1.110 241 A HN 0.702 nan 8.150 nan 0.000 0.529 242 G N -0.018 108.953 108.800 0.284 0.000 2.734 242 G HA2 0.566 4.526 3.960 -0.000 0.000 0.293 242 G HA3 0.566 4.526 3.960 -0.000 0.000 0.293 242 G C -1.107 173.901 174.900 0.180 0.000 1.422 242 G CA -0.389 44.850 45.100 0.231 0.000 1.177 242 G HN 0.069 nan 8.290 nan 0.000 0.565 243 M N 0.827 120.491 119.600 0.106 0.000 2.484 243 M HA 0.774 5.254 4.480 -0.000 0.000 0.289 243 M C -0.512 175.755 176.300 -0.056 0.000 1.206 243 M CA -0.719 54.543 55.300 -0.063 0.000 0.892 243 M CB 2.722 35.141 32.600 -0.301 0.000 1.712 243 M HN 1.046 nan 8.290 nan 0.000 0.462 244 A N 0.949 123.736 122.820 -0.054 0.000 2.583 244 A HA 0.736 5.056 4.320 -0.000 0.000 0.292 244 A C -0.715 176.853 177.584 -0.027 0.000 1.045 244 A CA -0.459 51.557 52.037 -0.036 0.000 0.672 244 A CB 0.780 19.764 19.000 -0.028 0.000 1.283 244 A HN 0.969 nan 8.150 nan 0.000 0.419 245 G N 0.193 108.979 108.800 -0.024 0.000 2.491 245 G HA2 0.391 4.351 3.960 -0.000 0.000 0.242 245 G HA3 0.391 4.351 3.960 -0.000 0.000 0.242 245 G C 0.522 175.401 174.900 -0.036 0.000 1.266 245 G CA 0.560 45.636 45.100 -0.039 0.000 0.844 245 G HN 1.033 nan 8.290 nan 0.000 0.571 246 D N 1.168 121.538 120.400 -0.049 0.000 2.149 246 D HA -0.234 4.406 4.640 -0.000 0.000 0.194 246 D C 1.854 178.131 176.300 -0.038 0.000 1.001 246 D CA 1.483 55.463 54.000 -0.033 0.000 0.849 246 D CB -0.092 40.690 40.800 -0.031 0.000 0.939 246 D HN 0.349 nan 8.370 nan 0.000 0.449 247 Q N -0.089 119.650 119.800 -0.102 0.000 2.119 247 Q HA -0.097 4.243 4.340 -0.000 0.000 0.201 247 Q C 2.302 178.316 176.000 0.024 0.000 0.972 247 Q CA 1.313 57.077 55.803 -0.065 0.000 0.847 247 Q CB -0.421 28.215 28.738 -0.169 0.000 0.903 247 Q HN 0.497 nan 8.270 nan 0.000 0.433 248 Q N 0.259 120.082 119.800 0.038 0.000 2.123 248 Q HA 0.031 4.371 4.340 -0.000 0.000 0.199 248 Q C 1.985 178.074 176.000 0.147 0.000 0.966 248 Q CA 1.426 57.303 55.803 0.123 0.000 0.845 248 Q CB -0.293 28.521 28.738 0.127 0.000 0.907 248 Q HN 0.410 nan 8.270 nan 0.000 0.439 249 A N 0.650 123.517 122.820 0.079 0.000 1.898 249 A HA -0.076 4.244 4.320 -0.000 0.000 0.216 249 A C 2.245 179.890 177.584 0.100 0.000 1.181 249 A CA 1.536 53.618 52.037 0.074 0.000 0.620 249 A CB -0.947 18.068 19.000 0.025 0.000 0.819 249 A HN 0.376 nan 8.150 nan 0.000 0.442 250 A N -0.724 122.136 122.820 0.067 0.000 2.019 250 A HA -0.016 4.304 4.320 -0.000 0.000 0.219 250 A C 2.083 179.705 177.584 0.063 0.000 1.164 250 A CA 1.647 53.714 52.037 0.051 0.000 0.644 250 A CB -0.507 18.520 19.000 0.044 0.000 0.805 250 A HN 0.601 nan 8.150 nan 0.000 0.449 251 L N -2.053 119.237 121.223 0.111 0.000 2.027 251 L HA -0.002 4.338 4.340 -0.000 0.000 0.206 251 L C 2.155 179.091 176.870 0.111 0.000 1.074 251 L CA 1.872 56.785 54.840 0.121 0.000 0.745 251 L CB -0.645 41.541 42.059 0.212 0.000 0.898 251 L HN 0.369 nan 8.230 nan 0.000 0.433 252 F N 0.330 120.291 119.950 0.018 0.000 2.134 252 F HA -0.047 4.479 4.527 -0.000 0.000 0.299 252 F C 2.292 178.111 175.800 0.032 0.000 1.097 252 F CA 1.644 59.665 58.000 0.035 0.000 1.264 252 F CB -0.868 38.116 39.000 -0.026 0.000 1.001 252 F HN 0.164 nan 8.300 nan 0.000 0.479 253 G N -1.165 107.705 108.800 0.117 0.000 2.498 253 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.219 253 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.219 253 G C 1.406 176.267 174.900 -0.064 0.000 1.119 253 G CA 0.403 45.478 45.100 -0.041 0.000 0.766 253 G HN 0.324 nan 8.290 nan 0.000 0.552 254 Q N -0.875 118.860 119.800 -0.108 0.000 2.360 254 Q HA 0.264 4.603 4.340 -0.000 0.000 0.202 254 Q C 1.026 176.829 176.000 -0.330 0.000 0.915 254 Q CA -0.235 55.478 55.803 -0.150 0.000 0.943 254 Q CB 0.129 28.806 28.738 -0.101 0.000 1.064 254 Q HN 0.552 nan 8.270 nan 0.000 0.511 255 M N -0.022 119.229 119.600 -0.581 0.000 2.297 255 M HA -0.238 4.242 4.480 -0.000 0.000 0.200 255 M C -0.302 175.238 176.300 -1.267 0.000 0.414 255 M CA 0.499 54.976 55.300 -1.373 0.000 0.449 255 M CB -1.160 30.916 32.600 -0.874 0.000 1.436 255 M HN 0.134 nan 8.290 nan 0.000 0.912 256 A N -0.110 122.234 122.820 -0.794 0.000 3.126 256 A HA 0.510 4.830 4.320 -0.000 0.000 0.268 256 A C 0.427 177.904 177.584 -0.179 0.000 1.605 256 A CA -0.457 51.363 52.037 -0.361 0.000 1.305 256 A CB -0.534 18.392 19.000 -0.123 0.000 1.160 256 A HN 0.513 nan 8.150 nan 0.000 0.609 257 F N 0.142 120.035 119.950 -0.095 0.000 2.387 257 F HA 0.120 4.647 4.527 -0.000 0.000 0.294 257 F C 1.103 176.889 175.800 -0.024 0.000 1.093 257 F CA 0.009 57.956 58.000 -0.087 0.000 1.420 257 F CB -0.218 38.666 39.000 -0.194 0.000 1.086 257 F HN 0.293 nan 8.300 nan 0.000 0.531 258 E N 1.694 121.980 120.200 0.143 0.000 2.343 258 E HA 0.058 4.408 4.350 -0.000 0.000 0.269 258 E C 0.072 176.734 176.600 0.103 0.000 1.047 258 E CA -0.425 56.044 56.400 0.115 0.000 0.874 258 E CB 0.976 30.719 29.700 0.071 0.000 1.033 258 E HN 0.129 nan 8.360 nan 0.000 0.409 259 K N 0.288 120.757 120.400 0.116 0.000 2.527 259 K HA 0.040 4.360 4.320 -0.000 0.000 0.278 259 K C 0.903 177.544 176.600 0.069 0.000 0.981 259 K CA 1.129 57.478 56.287 0.104 0.000 1.009 259 K CB 0.050 32.611 32.500 0.101 0.000 0.895 259 K HN 0.633 nan 8.250 nan 0.000 0.493 260 G N 3.056 111.894 108.800 0.063 0.000 2.284 260 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.230 260 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.230 260 G C 0.160 175.079 174.900 0.032 0.000 1.021 260 G CA 0.176 45.302 45.100 0.043 0.000 0.619 260 G HN 0.581 nan 8.290 nan 0.000 0.510 261 M N 0.926 120.543 119.600 0.029 0.000 2.245 261 M HA 0.545 5.025 4.480 -0.000 0.000 0.344 261 M C 0.249 176.559 176.300 0.017 0.000 1.170 261 M CA 0.602 55.907 55.300 0.008 0.000 1.135 261 M CB 1.064 33.652 32.600 -0.020 0.000 1.574 261 M HN 0.360 nan 8.290 nan 0.000 0.452 262 I N 3.470 124.043 120.570 0.005 0.000 2.619 262 I HA 0.506 4.675 4.170 -0.000 0.000 0.292 262 I C -1.058 175.059 176.117 -0.001 0.000 1.100 262 I CA -0.600 60.706 61.300 0.011 0.000 1.043 262 I CB 1.667 39.674 38.000 0.012 0.000 1.239 262 I HN 0.772 nan 8.210 nan 0.000 0.420 263 K N 4.807 125.208 120.400 0.002 0.000 2.378 263 K HA 0.651 4.971 4.320 -0.000 0.000 0.244 263 K C -1.383 175.195 176.600 -0.037 0.000 1.039 263 K CA -0.876 55.404 56.287 -0.011 0.000 0.863 263 K CB 1.716 34.214 32.500 -0.004 0.000 1.326 263 K HN 0.431 nan 8.250 nan 0.000 0.460 264 N N -0.132 118.519 118.700 -0.081 0.000 2.478 264 N HA 0.286 5.026 4.740 -0.000 0.000 0.291 264 N C -1.983 173.341 175.510 -0.311 0.000 1.090 264 N CA -0.360 52.556 53.050 -0.223 0.000 0.911 264 N CB 2.400 40.696 38.487 -0.318 0.000 1.546 264 N HN 0.676 nan 8.380 nan 0.000 0.500 265 T N 3.348 117.757 114.554 -0.241 0.000 2.767 265 T HA 0.342 4.692 4.350 -0.000 0.000 0.284 265 T C -0.811 173.753 174.700 -0.227 0.000 0.973 265 T CA -0.046 61.978 62.100 -0.126 0.000 0.996 265 T CB 0.187 69.085 68.868 0.051 0.000 0.927 265 T HN 0.268 nan 8.240 nan 0.000 0.456 266 Y N 2.082 122.416 120.300 0.058 0.000 2.434 266 Y HA 0.604 5.154 4.550 -0.000 0.000 0.341 266 Y C 0.907 176.854 175.900 0.079 0.000 0.965 266 Y CA -0.333 57.788 58.100 0.036 0.000 1.205 266 Y CB 1.151 39.612 38.460 0.002 0.000 1.121 266 Y HN 0.903 nan 8.280 nan 0.000 0.507 267 G N 0.426 109.362 108.800 0.227 0.000 3.187 267 G HA2 0.086 4.046 3.960 -0.000 0.000 0.175 267 G HA3 0.086 4.046 3.960 -0.000 0.000 0.175 267 G C 0.666 175.714 174.900 0.247 0.000 1.112 267 G CA -0.266 44.971 45.100 0.229 0.000 0.821 267 G HN 0.291 nan 8.290 nan 0.000 0.636 268 T N 0.376 115.119 114.554 0.314 0.000 2.759 268 T HA 0.168 4.517 4.350 -0.000 0.000 0.269 268 T C 1.126 176.059 174.700 0.390 0.000 1.042 268 T CA 1.814 64.135 62.100 0.368 0.000 1.140 268 T CB -0.404 68.764 68.868 0.499 0.000 0.864 268 T HN 0.738 nan 8.240 nan 0.000 0.455 269 G N -0.635 108.401 108.800 0.393 0.000 3.140 269 G HA2 0.699 4.658 3.960 -0.000 0.000 0.271 269 G HA3 0.699 4.658 3.960 -0.000 0.000 0.271 269 G C -1.728 173.040 174.900 -0.221 0.000 1.370 269 G CA -0.315 44.855 45.100 0.118 0.000 1.014 269 G HN 0.359 nan 8.290 nan 0.000 0.541 270 A N -0.621 121.735 122.820 -0.772 0.000 2.381 270 A HA 0.775 5.094 4.320 -0.000 0.000 0.299 270 A C -1.737 175.216 177.584 -1.052 0.000 1.049 270 A CA -0.529 51.125 52.037 -0.639 0.000 0.715 270 A CB 0.801 19.589 19.000 -0.353 0.000 1.222 270 A HN 0.510 nan 8.150 nan 0.000 0.428 271 F N 2.209 122.046 119.950 -0.188 0.000 2.507 271 F HA 0.575 5.101 4.527 -0.000 0.000 0.328 271 F C -0.374 175.342 175.800 -0.140 0.000 1.136 271 F CA -0.678 57.240 58.000 -0.138 0.000 0.930 271 F CB 1.867 40.816 39.000 -0.085 0.000 1.166 271 F HN 0.296 nan 8.300 nan 0.000 0.436 272 I N 4.324 124.906 120.570 0.020 0.000 2.315 272 I HA 0.469 4.638 4.170 -0.000 0.000 0.291 272 I C -0.472 175.687 176.117 0.070 0.000 1.006 272 I CA -0.667 60.633 61.300 -0.000 0.000 1.265 272 I CB 1.254 39.234 38.000 -0.033 0.000 1.387 272 I HN 0.234 nan 8.210 nan 0.000 0.475 273 V N 6.959 126.912 119.914 0.065 0.000 2.588 273 V HA 0.544 4.664 4.120 -0.000 0.000 0.304 273 V C -0.264 175.874 176.094 0.073 0.000 1.042 273 V CA -0.699 61.654 62.300 0.088 0.000 0.877 273 V CB 1.859 33.743 31.823 0.101 0.000 0.996 273 V HN 0.720 nan 8.190 nan 0.000 0.425 274 M N 4.070 123.719 119.600 0.081 0.000 2.321 274 M HA 0.519 4.999 4.480 -0.000 0.000 0.315 274 M C -0.469 175.885 176.300 0.091 0.000 1.052 274 M CA -0.482 54.862 55.300 0.073 0.000 0.936 274 M CB 1.561 34.198 32.600 0.062 0.000 1.639 274 M HN 0.735 nan 8.290 nan 0.000 0.433 275 N N 2.051 120.808 118.700 0.095 0.000 2.470 275 N HA 0.122 4.862 4.740 -0.000 0.000 0.268 275 N C 0.058 175.633 175.510 0.109 0.000 1.136 275 N CA 0.458 53.576 53.050 0.113 0.000 0.961 275 N CB 1.074 39.641 38.487 0.132 0.000 1.067 275 N HN 0.797 nan 8.380 nan 0.000 0.468 276 T N 0.304 114.932 114.554 0.124 0.000 3.132 276 T HA 0.406 4.756 4.350 -0.000 0.000 0.274 276 T C 0.885 175.666 174.700 0.135 0.000 1.011 276 T CA 0.212 62.381 62.100 0.116 0.000 0.899 276 T CB -0.287 68.644 68.868 0.104 0.000 1.089 276 T HN 0.696 nan 8.240 nan 0.000 0.543 277 G N 2.122 111.032 108.800 0.183 0.000 2.584 277 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.229 277 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.229 277 G C 0.170 175.173 174.900 0.172 0.000 1.320 277 G CA -0.022 45.205 45.100 0.211 0.000 0.891 277 G HN 0.359 nan 8.290 nan 0.000 0.573 278 E N 0.644 120.881 120.200 0.063 0.000 2.489 278 E HA 0.128 4.478 4.350 -0.000 0.000 0.193 278 E C 0.917 177.570 176.600 0.088 0.000 1.057 278 E CA 0.666 57.067 56.400 0.001 0.000 0.866 278 E CB 0.342 29.961 29.700 -0.134 0.000 0.916 278 E HN 0.514 nan 8.360 nan 0.000 0.500 279 E N 1.993 122.215 120.200 0.038 0.000 2.145 279 E HA 0.224 4.574 4.350 -0.000 0.000 0.270 279 E C -2.619 173.887 176.600 -0.157 0.000 0.906 279 E CA -2.786 53.567 56.400 -0.078 0.000 0.761 279 E CB 1.260 30.931 29.700 -0.049 0.000 1.116 279 E HN -0.216 nan 8.360 nan 0.000 0.408 280 P HA 0.064 nan 4.420 nan 0.000 0.269 280 P C -0.972 176.242 177.300 -0.143 0.000 1.209 280 P CA 0.163 63.026 63.100 -0.396 0.000 0.776 280 P CB 0.598 31.985 31.700 -0.523 0.000 0.876 281 Q N 1.531 121.297 119.800 -0.056 0.000 2.281 281 Q HA 0.431 4.771 4.340 -0.000 0.000 0.267 281 Q C 1.600 177.594 176.000 -0.011 0.000 1.053 281 Q CA 0.391 56.187 55.803 -0.011 0.000 0.905 281 Q CB -0.933 27.822 28.738 0.029 0.000 1.195 281 Q HN 0.527 nan 8.270 nan 0.000 0.398 282 L N 2.076 123.288 121.223 -0.019 0.000 1.971 282 L HA -0.004 4.336 4.340 -0.000 0.000 0.215 282 L C 1.889 178.773 176.870 0.024 0.000 1.072 282 L CA 2.552 57.383 54.840 -0.014 0.000 0.758 282 L CB -1.598 40.448 42.059 -0.021 0.000 0.889 282 L HN 1.302 nan 8.230 nan 0.000 0.433 283 S N -0.405 115.313 115.700 0.029 0.000 2.430 283 S HA 0.468 4.938 4.470 -0.000 0.000 0.289 283 S C -0.041 174.599 174.600 0.066 0.000 1.143 283 S CA 0.127 58.355 58.200 0.046 0.000 1.067 283 S CB 0.820 64.038 63.200 0.030 0.000 0.964 283 S HN 0.744 nan 8.310 nan 0.000 0.485 284 D N 1.021 121.480 120.400 0.099 0.000 2.540 284 D HA 0.079 4.719 4.640 -0.000 0.000 0.229 284 D C 0.062 176.423 176.300 0.102 0.000 1.250 284 D CA -0.614 53.458 54.000 0.120 0.000 0.817 284 D CB -0.810 40.094 40.800 0.174 0.000 1.060 284 D HN 0.539 nan 8.370 nan 0.000 0.508 285 N N 2.146 120.879 118.700 0.055 0.000 2.160 285 N HA -0.131 4.609 4.740 -0.000 0.000 0.283 285 N C -0.064 175.483 175.510 0.061 0.000 1.363 285 N CA 1.261 54.323 53.050 0.020 0.000 0.848 285 N CB -0.001 38.495 38.487 0.014 0.000 1.127 285 N HN 0.105 nan 8.380 nan 0.000 0.493 286 D N 0.224 120.668 120.400 0.072 0.000 2.876 286 D HA -0.194 4.446 4.640 -0.000 0.000 0.196 286 D C -0.448 176.056 176.300 0.341 0.000 1.014 286 D CA 0.984 55.103 54.000 0.198 0.000 1.012 286 D CB -1.169 39.724 40.800 0.154 0.000 1.080 286 D HN 0.397 nan 8.370 nan 0.000 0.438 287 L N -0.272 121.093 121.223 0.237 0.000 2.183 287 L HA 0.640 4.980 4.340 -0.000 0.000 0.253 287 L C 0.052 177.076 176.870 0.255 0.000 1.048 287 L CA -1.089 53.925 54.840 0.290 0.000 0.890 287 L CB 1.449 43.626 42.059 0.197 0.000 1.476 287 L HN -0.202 nan 8.230 nan 0.000 0.455 288 L N 0.070 121.457 121.223 0.272 0.000 2.341 288 L HA 0.458 4.798 4.340 -0.000 0.000 0.278 288 L C -0.676 176.286 176.870 0.154 0.000 1.005 288 L CA -0.415 54.558 54.840 0.222 0.000 0.818 288 L CB 1.921 44.170 42.059 0.316 0.000 1.259 288 L HN 0.489 nan 8.230 nan 0.000 0.418 289 T N 1.343 115.946 114.554 0.082 0.000 2.738 289 T HA 0.402 4.752 4.350 -0.000 0.000 0.298 289 T C 0.005 174.730 174.700 0.041 0.000 0.962 289 T CA -0.080 62.053 62.100 0.054 0.000 0.972 289 T CB 1.225 70.086 68.868 -0.011 0.000 0.928 289 T HN 0.641 nan 8.240 nan 0.000 0.474 290 T N 2.539 117.150 114.554 0.095 0.000 2.804 290 T HA 0.660 5.010 4.350 -0.000 0.000 0.290 290 T C -0.750 173.999 174.700 0.082 0.000 1.099 290 T CA -0.773 61.372 62.100 0.075 0.000 1.011 290 T CB 0.834 69.745 68.868 0.071 0.000 1.291 290 T HN 0.434 nan 8.240 nan 0.000 0.523 291 I N 2.397 122.960 120.570 -0.013 0.000 2.352 291 I HA 0.304 4.474 4.170 -0.000 0.000 0.290 291 I C 1.669 177.729 176.117 -0.095 0.000 1.036 291 I CA -0.223 60.973 61.300 -0.174 0.000 1.336 291 I CB 1.390 39.259 38.000 -0.218 0.000 1.407 291 I HN 0.919 nan 8.210 nan 0.000 0.497 292 G N 6.516 115.221 108.800 -0.159 0.000 2.394 292 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.214 292 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.214 292 G C -0.050 174.896 174.900 0.077 0.000 1.176 292 G CA 0.958 46.023 45.100 -0.058 0.000 0.786 292 G HN 0.707 nan 8.290 nan 0.000 0.533 293 Y N -4.015 116.319 120.300 0.057 0.000 2.927 293 Y HA 0.521 5.071 4.550 -0.000 0.000 0.392 293 Y C -0.519 175.456 175.900 0.126 0.000 1.159 293 Y CA -1.618 56.529 58.100 0.078 0.000 1.220 293 Y CB 0.363 38.852 38.460 0.049 0.000 1.506 293 Y HN 0.319 nan 8.280 nan 0.000 0.481 294 G N 1.229 110.287 108.800 0.430 0.000 2.609 294 G HA2 0.720 4.680 3.960 -0.000 0.000 0.308 294 G HA3 0.720 4.680 3.960 -0.000 0.000 0.308 294 G C -1.398 173.722 174.900 0.367 0.000 1.369 294 G CA -0.771 44.550 45.100 0.369 0.000 0.958 294 G HN 1.287 nan 8.290 nan 0.000 0.499 295 I N -1.099 119.695 120.570 0.373 0.000 2.918 295 I HA 0.530 4.700 4.170 -0.000 0.000 0.301 295 I C -0.407 175.850 176.117 0.233 0.000 1.312 295 I CA -1.329 60.120 61.300 0.249 0.000 1.007 295 I CB 2.358 40.475 38.000 0.194 0.000 1.281 295 I HN 0.386 nan 8.210 nan 0.000 0.440 296 N N 3.101 121.886 118.700 0.142 0.000 2.727 296 N HA -0.198 4.542 4.740 -0.000 0.000 0.249 296 N C 0.995 176.563 175.510 0.095 0.000 1.048 296 N CA 1.515 54.631 53.050 0.110 0.000 0.714 296 N CB -1.366 37.193 38.487 0.121 0.000 0.959 296 N HN 1.590 nan 8.380 nan 0.000 0.544 297 G N -1.362 107.491 108.800 0.088 0.000 2.166 297 G HA2 -0.377 3.582 3.960 -0.000 0.000 0.260 297 G HA3 -0.377 3.582 3.960 -0.000 0.000 0.260 297 G C 0.013 174.924 174.900 0.018 0.000 0.986 297 G CA 1.252 46.386 45.100 0.058 0.000 0.683 297 G HN 0.614 nan 8.290 nan 0.000 0.527 298 K N -0.783 119.630 120.400 0.022 0.000 2.328 298 K HA 0.702 5.022 4.320 -0.000 0.000 0.246 298 K C -0.657 175.809 176.600 -0.223 0.000 0.955 298 K CA -0.977 55.226 56.287 -0.140 0.000 0.817 298 K CB 3.068 35.441 32.500 -0.210 0.000 1.208 298 K HN 0.010 nan 8.250 nan 0.000 0.432 299 V N 2.957 122.607 119.914 -0.441 0.000 2.409 299 V HA 0.321 4.441 4.120 -0.000 0.000 0.291 299 V C -1.396 174.273 176.094 -0.708 0.000 1.020 299 V CA -0.815 61.170 62.300 -0.526 0.000 0.848 299 V CB 0.714 32.164 31.823 -0.621 0.000 0.990 299 V HN 0.592 nan 8.190 nan 0.000 0.430 300 Y N 4.225 124.215 120.300 -0.516 0.000 2.331 300 Y HA 0.584 5.134 4.550 -0.000 0.000 0.338 300 Y C -0.058 175.499 175.900 -0.571 0.000 0.976 300 Y CA -0.598 57.215 58.100 -0.479 0.000 1.137 300 Y CB 1.005 39.061 38.460 -0.673 0.000 1.172 300 Y HN 0.529 nan 8.280 nan 0.000 0.478 301 Y N 1.595 121.841 120.300 -0.091 0.000 2.334 301 Y HA 0.685 5.235 4.550 -0.000 0.000 0.325 301 Y C 0.412 176.297 175.900 -0.025 0.000 1.308 301 Y CA -0.622 57.437 58.100 -0.069 0.000 1.389 301 Y CB 1.042 39.469 38.460 -0.055 0.000 1.328 301 Y HN 0.618 nan 8.280 nan 0.000 0.532 302 A N 0.950 123.868 122.820 0.164 0.000 2.594 302 A HA 0.731 5.051 4.320 -0.000 0.000 0.291 302 A C -1.963 175.698 177.584 0.128 0.000 1.105 302 A CA -0.802 51.309 52.037 0.124 0.000 0.694 302 A CB 1.343 20.402 19.000 0.099 0.000 1.291 302 A HN 0.679 nan 8.150 nan 0.000 0.410 303 L N 1.166 122.459 121.223 0.115 0.000 2.313 303 L HA 0.558 4.898 4.340 -0.000 0.000 0.283 303 L C -0.107 176.841 176.870 0.130 0.000 1.013 303 L CA -0.217 54.693 54.840 0.118 0.000 0.816 303 L CB 1.650 43.769 42.059 0.099 0.000 1.236 303 L HN 0.944 nan 8.230 nan 0.000 0.419 304 E N 1.882 122.180 120.200 0.164 0.000 2.277 304 E HA 0.669 5.019 4.350 -0.000 0.000 0.266 304 E C -0.735 175.999 176.600 0.223 0.000 0.901 304 E CA -0.734 55.782 56.400 0.192 0.000 0.782 304 E CB 2.335 32.173 29.700 0.230 0.000 1.228 304 E HN 0.658 nan 8.360 nan 0.000 0.424 305 G N 1.775 110.684 108.800 0.183 0.000 2.883 305 G HA2 0.301 4.261 3.960 -0.000 0.000 0.285 305 G HA3 0.301 4.261 3.960 -0.000 0.000 0.285 305 G C -0.981 173.935 174.900 0.026 0.000 1.526 305 G CA -0.589 44.588 45.100 0.129 0.000 1.062 305 G HN 0.404 nan 8.290 nan 0.000 0.550 306 S N 1.483 117.185 115.700 0.003 0.000 2.537 306 S HA 0.629 5.098 4.470 -0.000 0.000 0.275 306 S C 0.021 174.160 174.600 -0.767 0.000 1.272 306 S CA -0.621 57.425 58.200 -0.256 0.000 1.050 306 S CB 1.783 64.994 63.200 0.018 0.000 0.961 306 S HN 0.443 nan 8.310 nan 0.000 0.496 307 I N 3.327 123.394 120.570 -0.839 0.000 2.428 307 I HA 0.239 4.409 4.170 -0.000 0.000 0.279 307 I C 0.002 175.766 176.117 -0.588 0.000 1.040 307 I CA -0.607 60.288 61.300 -0.674 0.000 1.171 307 I CB 0.456 38.197 38.000 -0.432 0.000 1.312 307 I HN 0.575 nan 8.210 nan 0.000 0.470 308 F N 4.317 124.167 119.950 -0.167 0.000 2.091 308 F HA -0.148 4.379 4.527 -0.000 0.000 0.299 308 F C 1.241 177.124 175.800 0.138 0.000 1.103 308 F CA 1.008 59.051 58.000 0.071 0.000 1.228 308 F CB -0.533 38.487 39.000 0.034 0.000 0.984 308 F HN 0.094 nan 8.300 nan 0.000 0.477 309 V N -0.644 119.385 119.914 0.192 0.000 2.398 309 V HA 0.721 4.841 4.120 -0.000 0.000 0.286 309 V C 0.297 176.424 176.094 0.056 0.000 1.026 309 V CA 0.093 62.471 62.300 0.129 0.000 0.868 309 V CB 0.841 32.666 31.823 0.004 0.000 0.982 309 V HN 0.289 nan 8.190 nan 0.000 0.443 310 A N 4.022 126.904 122.820 0.104 0.000 1.677 310 A HA 0.527 4.847 4.320 -0.000 0.000 0.149 310 A C 1.778 179.436 177.584 0.123 0.000 1.624 310 A CA 0.721 52.809 52.037 0.085 0.000 1.596 310 A CB -0.615 18.433 19.000 0.079 0.000 1.396 310 A HN 0.832 nan 8.150 nan 0.000 1.088 311 G N 0.694 109.589 108.800 0.159 0.000 2.448 311 G HA2 -0.011 3.948 3.960 -0.000 0.000 0.218 311 G HA3 -0.011 3.948 3.960 -0.000 0.000 0.218 311 G C 1.655 176.666 174.900 0.186 0.000 1.135 311 G CA 1.968 47.163 45.100 0.159 0.000 0.784 311 G HN 1.090 nan 8.290 nan 0.000 0.543 312 S N 0.774 116.605 115.700 0.217 0.000 2.474 312 S HA 0.228 4.698 4.470 -0.000 0.000 0.235 312 S C 2.436 177.224 174.600 0.314 0.000 0.997 312 S CA 1.142 59.488 58.200 0.242 0.000 0.949 312 S CB -0.115 63.230 63.200 0.242 0.000 0.766 312 S HN 0.480 nan 8.310 nan 0.000 0.517 313 A N 2.237 125.227 122.820 0.283 0.000 1.929 313 A HA 0.136 4.456 4.320 -0.000 0.000 0.216 313 A C 2.118 179.943 177.584 0.401 0.000 1.176 313 A CA 1.116 53.369 52.037 0.360 0.000 0.628 313 A CB -0.525 18.561 19.000 0.144 0.000 0.816 313 A HN 0.498 nan 8.150 nan 0.000 0.444 314 I N -0.425 120.296 120.570 0.253 0.000 2.394 314 I HA -0.166 4.003 4.170 -0.000 0.000 0.251 314 I C 2.449 178.682 176.117 0.193 0.000 1.136 314 I CA 1.388 62.806 61.300 0.195 0.000 1.425 314 I CB -1.396 36.677 38.000 0.121 0.000 1.079 314 I HN 0.318 nan 8.210 nan 0.000 0.425 315 Q N -0.374 119.551 119.800 0.209 0.000 2.224 315 Q HA -0.223 4.117 4.340 -0.000 0.000 0.203 315 Q C 2.002 178.122 176.000 0.200 0.000 0.970 315 Q CA 1.396 57.300 55.803 0.169 0.000 0.865 315 Q CB -0.424 28.410 28.738 0.161 0.000 0.922 315 Q HN 0.584 nan 8.270 nan 0.000 0.445 316 W N -0.349 121.000 121.300 0.081 0.000 2.418 316 W HA -0.042 4.618 4.660 -0.000 0.000 0.292 316 W C 1.054 177.606 176.519 0.055 0.000 1.213 316 W CA 0.989 58.355 57.345 0.035 0.000 1.283 316 W CB -0.174 29.343 29.460 0.094 0.000 1.119 316 W HN 0.104 nan 8.180 nan 0.000 0.542 317 L N 0.579 121.847 121.223 0.076 0.000 2.191 317 L HA -0.150 4.190 4.340 -0.000 0.000 0.212 317 L C 2.757 179.539 176.870 -0.147 0.000 1.103 317 L CA 1.489 56.250 54.840 -0.132 0.000 0.769 317 L CB -0.720 41.385 42.059 0.077 0.000 0.908 317 L HN 0.042 nan 8.230 nan 0.000 0.438 318 R N -0.152 120.312 120.500 -0.061 0.000 2.075 318 R HA -0.087 4.253 4.340 -0.000 0.000 0.220 318 R C 1.484 177.732 176.300 -0.085 0.000 1.118 318 R CA 1.325 57.392 56.100 -0.055 0.000 0.986 318 R CB 0.177 30.475 30.300 -0.003 0.000 0.884 318 R HN 0.270 nan 8.270 nan 0.000 0.439 319 D N -0.953 119.400 120.400 -0.079 0.000 2.277 319 D HA 0.043 4.683 4.640 -0.000 0.000 0.209 319 D C 1.527 177.738 176.300 -0.149 0.000 0.970 319 D CA 1.059 55.011 54.000 -0.080 0.000 0.874 319 D CB -0.033 40.752 40.800 -0.025 0.000 0.982 319 D HN 0.402 nan 8.370 nan 0.000 0.504 320 G N 0.961 109.594 108.800 -0.279 0.000 2.518 320 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.213 320 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.213 320 G C 1.543 176.165 174.900 -0.463 0.000 1.226 320 G CA -0.010 44.841 45.100 -0.415 0.000 0.822 320 G HN 0.169 nan 8.290 nan 0.000 0.546 321 L N -0.597 120.209 121.223 -0.695 0.000 2.492 321 L HA 0.243 4.583 4.340 -0.000 0.000 0.223 321 L C 1.182 177.867 176.870 -0.309 0.000 1.132 321 L CA 0.014 54.554 54.840 -0.500 0.000 0.850 321 L CB -0.043 41.646 42.059 -0.617 0.000 0.966 321 L HN 0.207 nan 8.230 nan 0.000 0.454 322 R N -0.535 119.805 120.500 -0.267 0.000 3.416 322 R HA -0.244 4.096 4.340 -0.000 0.000 0.263 322 R C 1.227 177.441 176.300 -0.145 0.000 1.053 322 R CA 0.560 56.561 56.100 -0.166 0.000 0.705 322 R CB -1.605 28.616 30.300 -0.131 0.000 1.124 322 R HN 0.398 nan 8.270 nan 0.000 0.444 323 M N 0.478 119.982 119.600 -0.160 0.000 2.447 323 M HA 0.105 4.585 4.480 -0.000 0.000 0.264 323 M C 0.718 176.978 176.300 -0.067 0.000 1.095 323 M CA 1.116 56.344 55.300 -0.120 0.000 1.125 323 M CB 0.527 33.053 32.600 -0.123 0.000 1.389 323 M HN 0.348 nan 8.290 nan 0.000 0.459 324 I N -3.995 116.541 120.570 -0.056 0.000 2.828 324 I HA 0.362 4.532 4.170 -0.000 0.000 0.302 324 I C 0.347 176.445 176.117 -0.031 0.000 1.101 324 I CA -0.784 60.498 61.300 -0.030 0.000 1.031 324 I CB 1.712 39.708 38.000 -0.008 0.000 1.231 324 I HN -0.026 nan 8.210 nan 0.000 0.427 325 E N 1.795 121.982 120.200 -0.022 0.000 2.072 325 E HA -0.022 4.328 4.350 -0.000 0.000 0.190 325 E C 0.162 176.755 176.600 -0.012 0.000 0.982 325 E CA 1.589 57.977 56.400 -0.019 0.000 0.803 325 E CB 0.355 30.046 29.700 -0.016 0.000 0.755 325 E HN 0.880 nan 8.360 nan 0.000 0.453 326 T N -3.916 110.635 114.554 -0.005 0.000 2.843 326 T HA 0.297 4.647 4.350 -0.000 0.000 0.302 326 T C 0.621 175.328 174.700 0.011 0.000 1.232 326 T CA -0.465 61.637 62.100 0.003 0.000 1.009 326 T CB 1.509 70.379 68.868 0.003 0.000 1.254 326 T HN -0.164 nan 8.240 nan 0.000 0.504 327 S N 1.842 117.554 115.700 0.020 0.000 2.353 327 S HA -0.023 4.447 4.470 -0.000 0.000 0.222 327 S C -0.458 174.155 174.600 0.022 0.000 1.035 327 S CA 1.757 59.975 58.200 0.030 0.000 1.025 327 S CB -1.190 62.035 63.200 0.041 0.000 0.902 327 S HN 0.834 nan 8.310 nan 0.000 0.440 328 P HA -0.194 nan 4.420 nan 0.000 0.217 328 P C 1.321 178.624 177.300 0.004 0.000 1.148 328 P CA 1.252 64.358 63.100 0.010 0.000 0.828 328 P CB -0.097 31.608 31.700 0.009 0.000 0.783 329 Q N 1.073 120.876 119.800 0.004 0.000 2.297 329 Q HA -0.137 4.203 4.340 -0.000 0.000 0.208 329 Q C 2.121 178.120 176.000 -0.001 0.000 0.981 329 Q CA 1.924 57.727 55.803 -0.000 0.000 0.876 329 Q CB -0.377 28.360 28.738 -0.001 0.000 0.921 329 Q HN 0.338 nan 8.270 nan 0.000 0.446 330 S N -0.479 115.223 115.700 0.003 0.000 2.442 330 S HA -0.164 4.306 4.470 -0.000 0.000 0.236 330 S C 1.396 175.986 174.600 -0.017 0.000 1.007 330 S CA 1.099 59.299 58.200 0.000 0.000 0.965 330 S CB -0.150 63.056 63.200 0.010 0.000 0.773 330 S HN 0.464 nan 8.310 nan 0.000 0.504 331 E N 1.847 122.036 120.200 -0.019 0.000 2.047 331 E HA -0.188 4.161 4.350 -0.000 0.000 0.191 331 E C 2.366 178.949 176.600 -0.027 0.000 0.987 331 E CA 1.453 57.834 56.400 -0.031 0.000 0.799 331 E CB -0.233 29.451 29.700 -0.026 0.000 0.752 331 E HN 0.961 nan 8.360 nan 0.000 0.449 332 E N 1.277 121.466 120.200 -0.018 0.000 2.110 332 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 332 E C 2.195 178.785 176.600 -0.017 0.000 0.988 332 E CA 0.811 57.202 56.400 -0.015 0.000 0.804 332 E CB -0.352 29.342 29.700 -0.010 0.000 0.745 332 E HN 0.198 nan 8.360 nan 0.000 0.458 333 L N 1.061 122.275 121.223 -0.015 0.000 2.005 333 L HA -0.111 4.229 4.340 -0.000 0.000 0.207 333 L C 2.835 179.692 176.870 -0.022 0.000 1.072 333 L CA 1.226 56.058 54.840 -0.012 0.000 0.744 333 L CB -0.519 41.539 42.059 -0.002 0.000 0.895 333 L HN 0.270 nan 8.230 nan 0.000 0.433 334 A N -0.220 122.579 122.820 -0.035 0.000 2.024 334 A HA -0.176 4.143 4.320 -0.000 0.000 0.220 334 A C 2.440 179.985 177.584 -0.064 0.000 1.164 334 A CA 1.693 53.693 52.037 -0.062 0.000 0.643 334 A CB -0.629 18.317 19.000 -0.090 0.000 0.806 334 A HN 0.447 nan 8.150 nan 0.000 0.451 335 A N -0.217 122.575 122.820 -0.047 0.000 1.897 335 A HA -0.063 4.257 4.320 -0.000 0.000 0.215 335 A C 1.898 179.464 177.584 -0.030 0.000 1.181 335 A CA 1.443 53.457 52.037 -0.039 0.000 0.620 335 A CB -0.271 18.713 19.000 -0.027 0.000 0.821 335 A HN 0.469 nan 8.150 nan 0.000 0.443 336 K N 0.341 120.727 120.400 -0.024 0.000 2.546 336 K HA 0.326 4.646 4.320 -0.000 0.000 0.198 336 K C 0.298 176.887 176.600 -0.018 0.000 1.028 336 K CA 0.086 56.362 56.287 -0.018 0.000 1.150 336 K CB -0.120 32.372 32.500 -0.013 0.000 0.876 336 K HN 0.449 nan 8.250 nan 0.000 0.508 337 A N 1.767 124.570 122.820 -0.027 0.000 2.440 337 A HA 0.119 4.439 4.320 -0.000 0.000 0.251 337 A C -0.027 177.543 177.584 -0.024 0.000 1.089 337 A CA -0.038 51.983 52.037 -0.028 0.000 0.779 337 A CB 0.210 19.181 19.000 -0.048 0.000 1.022 337 A HN 0.287 nan 8.150 nan 0.000 0.492 338 K N 2.442 122.832 120.400 -0.016 0.000 3.123 338 K HA 0.330 4.650 4.320 -0.000 0.000 0.209 338 K C 0.322 176.917 176.600 -0.007 0.000 1.132 338 K CA 0.033 56.314 56.287 -0.010 0.000 0.992 338 K CB 1.209 33.706 32.500 -0.006 0.000 0.773 338 K HN 0.723 nan 8.250 nan 0.000 0.458 339 G N 0.077 108.869 108.800 -0.013 0.000 2.537 339 G HA2 0.154 4.114 3.960 -0.000 0.000 0.323 339 G HA3 0.154 4.114 3.960 -0.000 0.000 0.323 339 G C -0.053 174.842 174.900 -0.008 0.000 1.207 339 G CA -0.582 44.514 45.100 -0.008 0.000 0.976 339 G HN -0.008 nan 8.290 nan 0.000 0.487 340 D N -0.196 120.204 120.400 0.001 0.000 2.311 340 D HA -0.126 4.514 4.640 -0.000 0.000 0.212 340 D C 1.133 177.434 176.300 0.002 0.000 0.972 340 D CA 0.955 54.962 54.000 0.011 0.000 0.887 340 D CB 0.035 40.849 40.800 0.022 0.000 0.915 340 D HN 0.432 nan 8.370 nan 0.000 0.497 341 N N 0.232 118.913 118.700 -0.032 0.000 2.780 341 N HA -0.209 4.531 4.740 -0.000 0.000 0.247 341 N C -0.549 174.890 175.510 -0.118 0.000 1.076 341 N CA 0.418 53.422 53.050 -0.076 0.000 0.688 341 N CB -1.350 37.109 38.487 -0.046 0.000 0.957 341 N HN 0.381 nan 8.380 nan 0.000 0.551 342 E N -0.925 119.195 120.200 -0.134 0.000 2.693 342 E HA 0.199 4.548 4.350 -0.000 0.000 0.214 342 E C -0.522 175.918 176.600 -0.267 0.000 0.990 342 E CA -0.185 56.109 56.400 -0.177 0.000 1.047 342 E CB 0.827 30.542 29.700 0.026 0.000 1.039 342 E HN 0.150 nan 8.360 nan 0.000 0.475 343 V N 1.647 121.379 119.914 -0.304 0.000 2.439 343 V HA 0.249 4.369 4.120 -0.000 0.000 0.282 343 V C -0.723 175.174 176.094 -0.327 0.000 1.039 343 V CA -0.356 61.849 62.300 -0.158 0.000 0.913 343 V CB 0.383 32.175 31.823 -0.051 0.000 0.983 343 V HN 0.120 nan 8.190 nan 0.000 0.460 344 Y N 2.812 123.202 120.300 0.149 0.000 2.350 344 Y HA 0.600 5.150 4.550 -0.000 0.000 0.338 344 Y C -0.084 175.926 175.900 0.184 0.000 0.961 344 Y CA -0.866 57.351 58.100 0.195 0.000 1.100 344 Y CB 2.140 40.703 38.460 0.173 0.000 1.179 344 Y HN 0.320 nan 8.280 nan 0.000 0.454 345 V N 4.869 124.956 119.914 0.288 0.000 2.326 345 V HA 0.294 4.414 4.120 -0.000 0.000 0.281 345 V C -0.636 175.601 176.094 0.238 0.000 1.015 345 V CA -0.858 61.526 62.300 0.140 0.000 0.823 345 V CB 1.322 33.091 31.823 -0.090 0.000 1.009 345 V HN 0.557 nan 8.190 nan 0.000 0.436 346 V N 8.317 128.328 119.914 0.163 0.000 2.284 346 V HA 0.257 4.377 4.120 -0.000 0.000 0.260 346 V C -1.541 174.494 176.094 -0.097 0.000 1.084 346 V CA -1.335 61.012 62.300 0.079 0.000 0.894 346 V CB 1.168 32.946 31.823 -0.075 0.000 1.119 346 V HN 0.744 nan 8.190 nan 0.000 0.484 347 P HA 0.141 nan 4.420 nan 0.000 0.228 347 P C 0.483 177.393 177.300 -0.650 0.000 1.748 347 P CA -0.024 62.667 63.100 -0.683 0.000 0.909 347 P CB 0.340 31.661 31.700 -0.632 0.000 1.882 348 A N 0.296 122.909 122.820 -0.345 0.000 2.916 348 A HA 0.129 4.449 4.320 -0.000 0.000 0.254 348 A C 1.081 178.624 177.584 -0.068 0.000 1.544 348 A CA -0.447 51.498 52.037 -0.154 0.000 1.224 348 A CB -1.392 17.568 19.000 -0.067 0.000 1.012 348 A HN 0.063 nan 8.150 nan 0.000 0.636 349 F N 0.812 120.697 119.950 -0.109 0.000 2.085 349 F HA -0.220 4.307 4.527 -0.000 0.000 0.299 349 F C 2.462 178.205 175.800 -0.095 0.000 1.096 349 F CA 2.159 60.065 58.000 -0.157 0.000 1.227 349 F CB -1.098 37.764 39.000 -0.229 0.000 0.983 349 F HN 0.483 nan 8.300 nan 0.000 0.482 350 T N -2.200 112.422 114.554 0.113 0.000 3.293 350 T HA 0.614 4.964 4.350 -0.000 0.000 0.276 350 T C 0.422 175.110 174.700 -0.019 0.000 1.003 350 T CA 0.084 62.194 62.100 0.018 0.000 0.916 350 T CB -0.178 68.656 68.868 -0.056 0.000 1.134 350 T HN 0.641 nan 8.240 nan 0.000 0.530 351 G N 1.136 109.954 108.800 0.030 0.000 2.612 351 G HA2 0.020 3.980 3.960 -0.000 0.000 0.686 351 G HA3 0.020 3.980 3.960 -0.000 0.000 0.686 351 G C -1.142 173.818 174.900 0.101 0.000 1.274 351 G CA -1.092 44.037 45.100 0.049 0.000 0.849 351 G HN 0.543 nan 8.290 nan 0.000 0.595 352 L N 1.396 122.680 121.223 0.102 0.000 2.307 352 L HA 0.629 4.969 4.340 -0.000 0.000 0.282 352 L C 1.586 178.503 176.870 0.078 0.000 1.051 352 L CA 0.014 54.909 54.840 0.093 0.000 0.804 352 L CB 1.243 43.313 42.059 0.018 0.000 1.197 352 L HN 1.005 nan 8.230 nan 0.000 0.431 353 G N 1.613 110.340 108.800 -0.123 0.000 2.666 353 G HA2 0.503 4.463 3.960 -0.000 0.000 0.207 353 G HA3 0.503 4.463 3.960 -0.000 0.000 0.207 353 G C -0.209 174.080 174.900 -1.018 0.000 1.481 353 G CA -0.204 44.404 45.100 -0.820 0.000 1.071 353 G HN 0.742 nan 8.290 nan 0.000 0.572 354 A N 0.577 122.697 122.820 -1.167 0.000 2.511 354 A HA 0.468 4.788 4.320 -0.000 0.000 0.242 354 A C -1.378 175.949 177.584 -0.427 0.000 1.069 354 A CA -0.519 51.114 52.037 -0.672 0.000 0.763 354 A CB 0.347 19.226 19.000 -0.203 0.000 1.001 354 A HN 0.411 nan 8.150 nan 0.000 0.498 355 P HA 0.160 nan 4.420 nan 0.000 0.266 355 P C -0.242 176.922 177.300 -0.227 0.000 1.561 355 P CA 0.249 63.199 63.100 -0.250 0.000 1.089 355 P CB 0.041 31.631 31.700 -0.185 0.000 1.534 356 Y N -1.556 118.705 120.300 -0.066 0.000 2.262 356 Y HA 0.113 4.663 4.550 -0.000 0.000 0.295 356 Y C 0.734 176.741 175.900 0.178 0.000 1.121 356 Y CA 0.380 58.501 58.100 0.035 0.000 1.144 356 Y CB -1.042 37.399 38.460 -0.033 0.000 1.043 356 Y HN -0.117 nan 8.280 nan 0.000 0.528 357 W N 1.841 123.300 121.300 0.266 0.000 6.199 357 W HA -0.225 4.434 4.660 -0.000 0.000 0.416 357 W C -0.452 176.183 176.519 0.194 0.000 1.636 357 W CA 0.483 57.968 57.345 0.234 0.000 1.040 357 W CB -1.143 28.433 29.460 0.195 0.000 2.854 357 W HN 0.103 nan 8.180 nan 0.000 1.467 358 D N 0.301 120.872 120.400 0.284 0.000 2.427 358 D HA 0.251 4.891 4.640 -0.000 0.000 0.226 358 D C 1.018 177.411 176.300 0.156 0.000 1.076 358 D CA 0.447 54.561 54.000 0.191 0.000 0.849 358 D CB 1.650 42.516 40.800 0.111 0.000 1.052 358 D HN 0.001 nan 8.370 nan 0.000 0.515 359 S N 3.223 119.017 115.700 0.157 0.000 2.436 359 S HA -0.115 4.355 4.470 -0.000 0.000 0.228 359 S C 1.319 175.960 174.600 0.069 0.000 1.014 359 S CA 0.863 59.132 58.200 0.114 0.000 0.950 359 S CB 0.224 63.496 63.200 0.120 0.000 0.784 359 S HN 0.362 nan 8.310 nan 0.000 0.504 360 E N 1.083 121.319 120.200 0.059 0.000 2.478 360 E HA 0.433 4.783 4.350 -0.000 0.000 0.194 360 E C 0.492 177.113 176.600 0.035 0.000 1.045 360 E CA 0.223 56.642 56.400 0.033 0.000 0.868 360 E CB 0.294 30.001 29.700 0.011 0.000 0.885 360 E HN 0.581 nan 8.360 nan 0.000 0.505 361 A N 0.796 123.643 122.820 0.046 0.000 2.386 361 A HA 0.459 4.779 4.320 -0.000 0.000 0.248 361 A C 0.233 177.859 177.584 0.071 0.000 1.082 361 A CA -0.139 51.930 52.037 0.053 0.000 0.789 361 A CB 0.445 19.453 19.000 0.015 0.000 1.025 361 A HN -0.018 nan 8.150 nan 0.000 0.490 362 R N 0.222 120.788 120.500 0.111 0.000 2.930 362 R HA 0.527 4.867 4.340 -0.000 0.000 0.257 362 R C 0.456 176.802 176.300 0.077 0.000 1.107 362 R CA -0.212 55.958 56.100 0.117 0.000 0.999 362 R CB 1.024 31.431 30.300 0.178 0.000 1.209 362 R HN 0.956 nan 8.270 nan 0.000 0.486 363 G N -0.010 108.835 108.800 0.075 0.000 2.391 363 G HA2 0.377 4.337 3.960 -0.000 0.000 0.234 363 G HA3 0.377 4.337 3.960 -0.000 0.000 0.234 363 G C -0.673 174.216 174.900 -0.018 0.000 1.284 363 G CA 0.417 45.512 45.100 -0.008 0.000 0.873 363 G HN 0.598 nan 8.290 nan 0.000 0.549 364 A N 0.793 123.580 122.820 -0.054 0.000 2.594 364 A HA 0.753 5.073 4.320 -0.000 0.000 0.295 364 A C -1.077 176.419 177.584 -0.147 0.000 1.071 364 A CA -0.503 51.447 52.037 -0.146 0.000 0.685 364 A CB 1.874 20.811 19.000 -0.105 0.000 1.285 364 A HN 1.314 nan 8.150 nan 0.000 0.405 365 V N 0.660 120.336 119.914 -0.396 0.000 2.789 365 V HA 0.804 4.924 4.120 -0.000 0.000 0.311 365 V C -1.173 174.579 176.094 -0.569 0.000 1.073 365 V CA -0.396 61.786 62.300 -0.195 0.000 0.921 365 V CB 1.627 33.492 31.823 0.069 0.000 1.009 365 V HN 0.811 nan 8.190 nan 0.000 0.426 366 F N 0.231 120.238 119.950 0.095 0.000 2.643 366 F HA 0.744 5.271 4.527 -0.000 0.000 0.314 366 F C 0.972 176.853 175.800 0.136 0.000 1.096 366 F CA -0.022 58.032 58.000 0.091 0.000 0.953 366 F CB 2.173 41.211 39.000 0.063 0.000 1.345 366 F HN 0.750 nan 8.300 nan 0.000 0.468 367 G N 1.066 110.055 108.800 0.315 0.000 2.143 367 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.248 367 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.248 367 G C -0.359 174.621 174.900 0.134 0.000 0.991 367 G CA -0.346 44.882 45.100 0.213 0.000 0.689 367 G HN 0.519 nan 8.290 nan 0.000 0.522 368 L N 1.467 122.761 121.223 0.118 0.000 2.416 368 L HA 0.568 4.908 4.340 -0.000 0.000 0.272 368 L C 1.180 178.085 176.870 0.059 0.000 1.161 368 L CA 0.584 55.478 54.840 0.089 0.000 0.845 368 L CB 0.866 42.972 42.059 0.078 0.000 1.119 368 L HN 0.459 nan 8.230 nan 0.000 0.464 369 T N -1.282 113.301 114.554 0.048 0.000 2.838 369 T HA 0.365 4.715 4.350 -0.000 0.000 0.292 369 T C 0.684 175.396 174.700 0.021 0.000 1.113 369 T CA -0.947 61.172 62.100 0.032 0.000 1.008 369 T CB 1.543 70.430 68.868 0.033 0.000 1.259 369 T HN 0.683 nan 8.240 nan 0.000 0.520 370 R N 0.161 120.668 120.500 0.012 0.000 2.193 370 R HA 0.131 4.471 4.340 -0.000 0.000 0.229 370 R C 1.982 178.285 176.300 0.004 0.000 1.110 370 R CA 1.600 57.701 56.100 0.003 0.000 0.988 370 R CB -1.013 29.286 30.300 -0.000 0.000 0.871 370 R HN 0.695 nan 8.270 nan 0.000 0.458 371 G N 0.310 109.116 108.800 0.010 0.000 2.650 371 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.214 371 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.214 371 G C 0.026 174.934 174.900 0.014 0.000 1.136 371 G CA 0.122 45.228 45.100 0.009 0.000 0.789 371 G HN 0.299 nan 8.290 nan 0.000 0.536 372 T N 1.934 116.502 114.554 0.024 0.000 2.829 372 T HA 0.354 4.704 4.350 -0.000 0.000 0.293 372 T C 0.866 175.584 174.700 0.031 0.000 0.970 372 T CA 0.595 62.720 62.100 0.042 0.000 1.168 372 T CB 0.752 69.664 68.868 0.074 0.000 0.911 372 T HN 0.375 nan 8.240 nan 0.000 0.535 373 T N 0.638 115.214 114.554 0.036 0.000 2.922 373 T HA 0.441 4.791 4.350 -0.000 0.000 0.281 373 T C 1.380 176.110 174.700 0.049 0.000 1.005 373 T CA -1.085 61.028 62.100 0.021 0.000 0.982 373 T CB 1.516 70.391 68.868 0.011 0.000 1.158 373 T HN 0.425 nan 8.240 nan 0.000 0.566 374 K N 0.110 120.523 120.400 0.021 0.000 2.026 374 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 374 K C 1.875 178.528 176.600 0.088 0.000 1.048 374 K CA 1.813 58.124 56.287 0.040 0.000 0.929 374 K CB -0.298 32.199 32.500 -0.005 0.000 0.713 374 K HN 0.644 nan 8.250 nan 0.000 0.439 375 E N 1.141 121.367 120.200 0.044 0.000 2.118 375 E HA -0.178 4.172 4.350 -0.000 0.000 0.195 375 E C 1.684 178.301 176.600 0.029 0.000 0.992 375 E CA 1.554 57.971 56.400 0.027 0.000 0.804 375 E CB -0.220 29.482 29.700 0.003 0.000 0.741 375 E HN 0.355 nan 8.360 nan 0.000 0.458 376 D N -0.590 119.837 120.400 0.045 0.000 2.144 376 D HA -0.119 4.521 4.640 -0.000 0.000 0.200 376 D C 1.563 177.896 176.300 0.056 0.000 0.978 376 D CA 0.614 54.632 54.000 0.030 0.000 0.833 376 D CB -0.267 40.558 40.800 0.041 0.000 0.961 376 D HN 0.121 nan 8.370 nan 0.000 0.470 377 F N 0.927 120.865 119.950 -0.020 0.000 2.146 377 F HA -0.160 4.366 4.527 -0.000 0.000 0.298 377 F C 2.212 178.019 175.800 0.013 0.000 1.096 377 F CA 0.844 58.846 58.000 0.005 0.000 1.275 377 F CB -0.166 38.838 39.000 0.008 0.000 1.008 377 F HN -0.214 nan 8.300 nan 0.000 0.480 378 V N 0.679 120.667 119.914 0.122 0.000 2.343 378 V HA -0.291 3.829 4.120 -0.000 0.000 0.247 378 V C 2.527 178.585 176.094 -0.061 0.000 1.051 378 V CA 2.202 64.526 62.300 0.040 0.000 1.036 378 V CB -0.790 31.064 31.823 0.053 0.000 0.654 378 V HN 0.286 nan 8.190 nan 0.000 0.451 379 R N 0.476 120.926 120.500 -0.083 0.000 2.105 379 R HA -0.173 4.167 4.340 -0.000 0.000 0.239 379 R C 2.224 178.399 176.300 -0.207 0.000 1.135 379 R CA 1.729 57.736 56.100 -0.155 0.000 0.967 379 R CB -0.435 29.768 30.300 -0.162 0.000 0.861 379 R HN 0.479 nan 8.270 nan 0.000 0.442 380 A N -0.184 122.521 122.820 -0.191 0.000 1.969 380 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 380 A C 2.085 179.590 177.584 -0.131 0.000 1.169 380 A CA 1.834 53.764 52.037 -0.178 0.000 0.635 380 A CB -0.616 18.260 19.000 -0.207 0.000 0.810 380 A HN 0.465 nan 8.150 nan 0.000 0.445 381 T N 0.433 114.885 114.554 -0.171 0.000 2.777 381 T HA -0.032 4.318 4.350 -0.000 0.000 0.266 381 T C 1.801 176.467 174.700 -0.057 0.000 1.040 381 T CA 1.310 63.355 62.100 -0.092 0.000 1.141 381 T CB -0.328 68.515 68.868 -0.041 0.000 0.868 381 T HN 0.365 nan 8.240 nan 0.000 0.444 382 L N 0.858 122.024 121.223 -0.095 0.000 2.083 382 L HA -0.109 4.231 4.340 -0.000 0.000 0.209 382 L C 2.700 179.474 176.870 -0.160 0.000 1.083 382 L CA 1.329 56.099 54.840 -0.115 0.000 0.752 382 L CB -0.586 41.387 42.059 -0.144 0.000 0.899 382 L HN 0.333 nan 8.230 nan 0.000 0.433 383 Q N -0.383 119.277 119.800 -0.233 0.000 2.488 383 Q HA -0.038 4.302 4.340 -0.000 0.000 0.211 383 Q C 2.307 178.201 176.000 -0.176 0.000 0.967 383 Q CA 0.736 56.351 55.803 -0.314 0.000 0.926 383 Q CB -0.077 28.264 28.738 -0.662 0.000 0.992 383 Q HN 0.510 nan 8.270 nan 0.000 0.506 384 A N 0.804 123.599 122.820 -0.042 0.000 1.883 384 A HA -0.167 4.152 4.320 -0.000 0.000 0.217 384 A C 2.243 179.749 177.584 -0.130 0.000 1.186 384 A CA 1.547 53.584 52.037 0.000 0.000 0.624 384 A CB -0.871 18.194 19.000 0.107 0.000 0.822 384 A HN 0.303 nan 8.150 nan 0.000 0.444 385 V N -0.319 119.556 119.914 -0.066 0.000 2.515 385 V HA -0.117 4.003 4.120 -0.000 0.000 0.250 385 V C 2.709 178.771 176.094 -0.053 0.000 1.058 385 V CA 2.175 64.458 62.300 -0.028 0.000 1.064 385 V CB -0.721 31.141 31.823 0.064 0.000 0.675 385 V HN 0.609 nan 8.190 nan 0.000 0.461 386 A N -0.972 121.781 122.820 -0.110 0.000 1.877 386 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 386 A C 2.019 179.455 177.584 -0.246 0.000 1.186 386 A CA 2.115 54.059 52.037 -0.155 0.000 0.620 386 A CB -0.899 18.018 19.000 -0.138 0.000 0.822 386 A HN 0.642 nan 8.150 nan 0.000 0.443 387 Y N -0.323 119.759 120.300 -0.364 0.000 2.145 387 Y HA -0.217 4.333 4.550 -0.000 0.000 0.286 387 Y C 2.704 178.310 175.900 -0.489 0.000 1.145 387 Y CA 1.719 59.426 58.100 -0.656 0.000 1.148 387 Y CB -0.687 36.758 38.460 -1.692 0.000 0.981 387 Y HN 0.416 nan 8.280 nan 0.000 0.507 388 Q N -0.444 119.211 119.800 -0.243 0.000 2.119 388 Q HA -0.152 4.188 4.340 -0.000 0.000 0.201 388 Q C 2.298 178.321 176.000 0.040 0.000 0.972 388 Q CA 1.477 57.345 55.803 0.107 0.000 0.847 388 Q CB -0.059 28.791 28.738 0.186 0.000 0.903 388 Q HN 0.418 nan 8.270 nan 0.000 0.433 389 S N 0.808 116.487 115.700 -0.035 0.000 2.383 389 S HA -0.190 4.280 4.470 -0.000 0.000 0.229 389 S C 1.705 176.282 174.600 -0.039 0.000 1.030 389 S CA 1.412 59.582 58.200 -0.050 0.000 1.002 389 S CB -0.183 62.993 63.200 -0.040 0.000 0.829 389 S HN 0.333 nan 8.310 nan 0.000 0.467 390 K N 0.993 121.366 120.400 -0.045 0.000 2.148 390 K HA -0.143 4.177 4.320 -0.000 0.000 0.204 390 K C 1.204 177.820 176.600 0.026 0.000 1.050 390 K CA 1.452 57.693 56.287 -0.077 0.000 0.942 390 K CB -0.107 32.266 32.500 -0.212 0.000 0.724 390 K HN 0.185 nan 8.250 nan 0.000 0.446 391 D N 0.361 120.858 120.400 0.162 0.000 2.144 391 D HA -0.133 4.507 4.640 -0.000 0.000 0.199 391 D C 1.950 178.275 176.300 0.042 0.000 0.984 391 D CA 0.944 55.061 54.000 0.195 0.000 0.834 391 D CB -0.035 40.903 40.800 0.229 0.000 0.955 391 D HN 0.048 nan 8.370 nan 0.000 0.465 392 V N 1.627 121.544 119.914 0.005 0.000 2.244 392 V HA -0.195 3.925 4.120 -0.000 0.000 0.244 392 V C 2.514 178.606 176.094 -0.004 0.000 1.042 392 V CA 0.888 63.177 62.300 -0.019 0.000 1.006 392 V CB -0.223 31.576 31.823 -0.039 0.000 0.641 392 V HN 0.140 nan 8.190 nan 0.000 0.446 393 I N 0.451 121.012 120.570 -0.015 0.000 2.194 393 I HA -0.255 3.915 4.170 -0.000 0.000 0.246 393 I C 2.291 178.403 176.117 -0.009 0.000 1.093 393 I CA 1.834 63.123 61.300 -0.017 0.000 1.355 393 I CB -1.368 36.608 38.000 -0.040 0.000 1.046 393 I HN 0.363 nan 8.210 nan 0.000 0.413 394 D N 0.486 120.882 120.400 -0.006 0.000 2.117 394 D HA -0.128 4.512 4.640 -0.000 0.000 0.197 394 D C 2.192 178.505 176.300 0.021 0.000 0.987 394 D CA 1.514 55.519 54.000 0.008 0.000 0.829 394 D CB -0.179 40.644 40.800 0.037 0.000 0.961 394 D HN 0.274 nan 8.370 nan 0.000 0.460 395 T N 0.375 114.942 114.554 0.021 0.000 2.821 395 T HA -0.089 4.261 4.350 -0.000 0.000 0.267 395 T C 2.092 176.811 174.700 0.032 0.000 1.046 395 T CA 0.816 62.931 62.100 0.025 0.000 1.139 395 T CB -0.079 68.800 68.868 0.018 0.000 0.871 395 T HN 0.161 nan 8.240 nan 0.000 0.454 396 M N 0.581 120.199 119.600 0.030 0.000 2.132 396 M HA -0.057 4.423 4.480 -0.000 0.000 0.263 396 M C 2.358 178.675 176.300 0.028 0.000 1.065 396 M CA 1.584 56.905 55.300 0.035 0.000 1.122 396 M CB -0.321 32.298 32.600 0.033 0.000 1.365 396 M HN 0.119 nan 8.290 nan 0.000 0.411 397 K N 0.379 120.791 120.400 0.019 0.000 2.032 397 K HA -0.214 4.106 4.320 -0.000 0.000 0.209 397 K C 2.018 178.629 176.600 0.019 0.000 1.048 397 K CA 1.441 57.737 56.287 0.015 0.000 0.927 397 K CB -0.273 32.231 32.500 0.007 0.000 0.712 397 K HN 0.229 nan 8.250 nan 0.000 0.441 398 K N 0.635 121.048 120.400 0.022 0.000 2.283 398 K HA -0.156 4.164 4.320 -0.000 0.000 0.202 398 K C 1.025 177.640 176.600 0.025 0.000 1.048 398 K CA 1.514 57.814 56.287 0.023 0.000 0.948 398 K CB 0.210 32.725 32.500 0.026 0.000 0.742 398 K HN 0.073 nan 8.250 nan 0.000 0.458 399 D N -0.394 120.024 120.400 0.029 0.000 2.214 399 D HA -0.076 4.564 4.640 -0.000 0.000 0.217 399 D C 1.892 178.209 176.300 0.029 0.000 0.973 399 D CA 1.553 55.573 54.000 0.033 0.000 0.880 399 D CB -0.114 40.714 40.800 0.045 0.000 1.031 399 D HN 0.255 nan 8.370 nan 0.000 0.468 400 S N -0.730 114.988 115.700 0.030 0.000 2.527 400 S HA 0.195 4.665 4.470 -0.000 0.000 0.222 400 S C 1.867 176.480 174.600 0.021 0.000 0.985 400 S CA 0.941 59.157 58.200 0.027 0.000 0.921 400 S CB 0.234 63.453 63.200 0.032 0.000 0.772 400 S HN 0.328 nan 8.310 nan 0.000 0.529 401 G N 1.290 110.101 108.800 0.019 0.000 2.196 401 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.268 401 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.268 401 G C 0.131 175.039 174.900 0.014 0.000 0.975 401 G CA 0.588 45.697 45.100 0.015 0.000 0.648 401 G HN 0.626 nan 8.290 nan 0.000 0.538 402 I N 1.228 121.808 120.570 0.016 0.000 2.529 402 I HA 0.245 4.415 4.170 -0.000 0.000 0.284 402 I C 0.538 176.661 176.117 0.011 0.000 1.082 402 I CA -0.336 60.973 61.300 0.015 0.000 1.406 402 I CB 0.822 38.834 38.000 0.021 0.000 1.405 402 I HN 0.168 nan 8.210 nan 0.000 0.548 403 D N 6.539 126.944 120.400 0.008 0.000 2.255 403 D HA 0.353 4.993 4.640 -0.000 0.000 0.249 403 D C -0.558 175.743 176.300 0.002 0.000 1.078 403 D CA -0.161 53.841 54.000 0.003 0.000 0.896 403 D CB 0.873 41.674 40.800 0.001 0.000 1.194 403 D HN 0.268 nan 8.370 nan 0.000 0.429 404 I N 5.564 126.132 120.570 -0.004 0.000 2.412 404 I HA 0.215 4.385 4.170 -0.000 0.000 0.279 404 I C -1.669 174.441 176.117 -0.011 0.000 1.063 404 I CA -1.619 59.677 61.300 -0.006 0.000 1.193 404 I CB 1.516 39.511 38.000 -0.009 0.000 1.370 404 I HN 0.405 nan 8.210 nan 0.000 0.479 405 P HA 0.018 nan 4.420 nan 0.000 0.217 405 P C -0.072 177.223 177.300 -0.009 0.000 1.154 405 P CA 0.641 63.735 63.100 -0.010 0.000 0.841 405 P CB 0.471 32.166 31.700 -0.007 0.000 0.788 406 L N -1.441 119.778 121.223 -0.007 0.000 2.309 406 L HA 0.717 5.057 4.340 -0.000 0.000 0.261 406 L C -1.683 175.186 176.870 -0.002 0.000 1.021 406 L CA -1.197 53.642 54.840 -0.003 0.000 0.823 406 L CB 2.009 44.065 42.059 -0.004 0.000 1.366 406 L HN -0.280 nan 8.230 nan 0.000 0.423 407 L N 2.380 123.607 121.223 0.007 0.000 2.476 407 L HA 0.526 4.866 4.340 -0.000 0.000 0.269 407 L C -1.328 175.557 176.870 0.025 0.000 0.965 407 L CA -0.305 54.540 54.840 0.009 0.000 0.845 407 L CB 1.570 43.632 42.059 0.005 0.000 1.259 407 L HN 0.553 nan 8.230 nan 0.000 0.403 408 K N 4.133 124.542 120.400 0.015 0.000 2.143 408 K HA 0.753 5.073 4.320 -0.000 0.000 0.272 408 K C -0.829 175.797 176.600 0.043 0.000 1.001 408 K CA -0.668 55.635 56.287 0.027 0.000 0.915 408 K CB 2.191 34.690 32.500 -0.002 0.000 1.047 408 K HN 0.540 nan 8.250 nan 0.000 0.458 409 V N -0.877 119.088 119.914 0.084 0.000 2.876 409 V HA 0.653 4.773 4.120 -0.000 0.000 0.312 409 V C -1.182 174.994 176.094 0.136 0.000 1.085 409 V CA -0.808 61.572 62.300 0.134 0.000 0.945 409 V CB 1.866 33.853 31.823 0.273 0.000 1.017 409 V HN 1.001 nan 8.190 nan 0.000 0.428 410 D N 0.844 121.336 120.400 0.152 0.000 2.759 410 D HA 0.870 5.510 4.640 -0.000 0.000 0.321 410 D C 0.023 176.431 176.300 0.179 0.000 1.267 410 D CA -0.068 54.012 54.000 0.134 0.000 0.933 410 D CB 1.345 42.193 40.800 0.080 0.000 1.431 410 D HN 2.010 nan 8.370 nan 0.000 0.504 411 G N -2.260 106.625 108.800 0.142 0.000 2.612 411 G HA2 0.356 4.316 3.960 -0.000 0.000 0.686 411 G HA3 0.356 4.316 3.960 -0.000 0.000 0.686 411 G C 0.705 175.685 174.900 0.135 0.000 1.274 411 G CA 0.066 45.258 45.100 0.153 0.000 0.849 411 G HN 1.195 nan 8.290 nan 0.000 0.595 412 G N 0.100 108.972 108.800 0.120 0.000 2.459 412 G HA2 0.209 4.169 3.960 -0.000 0.000 0.217 412 G HA3 0.209 4.169 3.960 -0.000 0.000 0.217 412 G C 2.214 177.151 174.900 0.061 0.000 1.183 412 G CA 2.947 48.098 45.100 0.086 0.000 0.776 412 G HN 2.118 nan 8.290 nan 0.000 0.552 413 A N 1.043 123.905 122.820 0.070 0.000 2.024 413 A HA 0.236 4.556 4.320 -0.000 0.000 0.220 413 A C 2.706 180.221 177.584 -0.116 0.000 1.164 413 A CA 2.085 54.109 52.037 -0.021 0.000 0.643 413 A CB -0.615 18.369 19.000 -0.027 0.000 0.806 413 A HN 0.906 nan 8.150 nan 0.000 0.451 414 A N 0.739 123.534 122.820 -0.042 0.000 2.125 414 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 414 A C 1.904 179.458 177.584 -0.050 0.000 1.156 414 A CA 1.521 53.514 52.037 -0.073 0.000 0.671 414 A CB -0.532 18.521 19.000 0.088 0.000 0.794 414 A HN 0.747 nan 8.150 nan 0.000 0.459 415 K N -0.416 119.976 120.400 -0.015 0.000 2.525 415 K HA -0.017 4.303 4.320 -0.000 0.000 0.192 415 K C 0.218 176.810 176.600 -0.014 0.000 1.029 415 K CA 0.281 56.575 56.287 0.011 0.000 1.029 415 K CB -0.211 32.304 32.500 0.025 0.000 0.814 415 K HN 0.245 nan 8.250 nan 0.000 0.503 416 N N 2.470 121.124 118.700 -0.076 0.000 2.645 416 N HA 0.009 4.749 4.740 -0.000 0.000 0.233 416 N C -0.239 175.192 175.510 -0.132 0.000 1.058 416 N CA -0.081 52.913 53.050 -0.093 0.000 0.942 416 N CB 0.883 39.293 38.487 -0.129 0.000 1.210 416 N HN 0.088 nan 8.380 nan 0.000 0.512 417 D N 3.018 123.396 120.400 -0.036 0.000 2.133 417 D HA -0.210 4.430 4.640 -0.000 0.000 0.192 417 D C 1.750 177.999 176.300 -0.086 0.000 1.001 417 D CA 1.229 55.240 54.000 0.019 0.000 0.844 417 D CB 0.347 41.259 40.800 0.186 0.000 0.944 417 D HN 0.543 nan 8.370 nan 0.000 0.447 418 L N 0.155 121.346 121.223 -0.054 0.000 2.083 418 L HA -0.168 4.171 4.340 -0.000 0.000 0.209 418 L C 2.450 179.254 176.870 -0.109 0.000 1.083 418 L CA 0.370 55.176 54.840 -0.056 0.000 0.752 418 L CB -0.236 41.793 42.059 -0.050 0.000 0.899 418 L HN 0.070 nan 8.230 nan 0.000 0.433 419 L N -1.014 120.105 121.223 -0.174 0.000 2.109 419 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 419 L C 2.348 179.049 176.870 -0.280 0.000 1.086 419 L CA 1.648 56.367 54.840 -0.202 0.000 0.760 419 L CB -0.345 41.562 42.059 -0.254 0.000 0.910 419 L HN 0.151 nan 8.230 nan 0.000 0.437 420 M N -1.084 118.236 119.600 -0.467 0.000 2.254 420 M HA -0.122 4.358 4.480 -0.000 0.000 0.265 420 M C 2.213 178.112 176.300 -0.669 0.000 1.066 420 M CA 1.246 56.115 55.300 -0.718 0.000 1.123 420 M CB -0.988 30.883 32.600 -1.216 0.000 1.388 420 M HN 0.379 nan 8.290 nan 0.000 0.425 421 Q N -0.015 119.503 119.800 -0.471 0.000 2.123 421 Q HA -0.111 4.229 4.340 -0.000 0.000 0.199 421 Q C 1.826 177.781 176.000 -0.075 0.000 0.966 421 Q CA 1.433 57.163 55.803 -0.122 0.000 0.845 421 Q CB -0.498 28.282 28.738 0.070 0.000 0.907 421 Q HN 0.389 nan 8.270 nan 0.000 0.439 422 F N 0.585 120.410 119.950 -0.207 0.000 2.186 422 F HA -0.127 4.400 4.527 -0.000 0.000 0.299 422 F C 2.134 177.799 175.800 -0.226 0.000 1.090 422 F CA 1.734 59.613 58.000 -0.201 0.000 1.307 422 F CB -0.262 38.596 39.000 -0.237 0.000 1.019 422 F HN 0.201 nan 8.300 nan 0.000 0.489 423 Q N 0.752 120.391 119.800 -0.269 0.000 2.079 423 Q HA -0.076 4.264 4.340 -0.000 0.000 0.200 423 Q C 2.183 178.015 176.000 -0.280 0.000 0.974 423 Q CA 2.003 57.624 55.803 -0.304 0.000 0.840 423 Q CB -0.661 27.954 28.738 -0.205 0.000 0.898 423 Q HN 0.408 nan 8.270 nan 0.000 0.430 424 A N 0.395 123.090 122.820 -0.208 0.000 1.898 424 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 424 A C 1.800 179.287 177.584 -0.161 0.000 1.181 424 A CA 1.693 53.656 52.037 -0.122 0.000 0.620 424 A CB -0.676 18.320 19.000 -0.006 0.000 0.819 424 A HN 0.456 nan 8.150 nan 0.000 0.442 425 D N -0.331 119.941 120.400 -0.213 0.000 2.097 425 D HA -0.117 4.523 4.640 -0.000 0.000 0.195 425 D C 1.741 177.860 176.300 -0.303 0.000 0.989 425 D CA 1.154 55.023 54.000 -0.218 0.000 0.827 425 D CB -0.372 40.308 40.800 -0.200 0.000 0.966 425 D HN 0.349 nan 8.370 nan 0.000 0.456 426 I N 0.692 120.948 120.570 -0.523 0.000 2.315 426 I HA -0.150 4.020 4.170 -0.000 0.000 0.248 426 I C 2.238 178.149 176.117 -0.343 0.000 1.117 426 I CA 0.783 61.788 61.300 -0.492 0.000 1.404 426 I CB -0.065 37.479 38.000 -0.759 0.000 1.071 426 I HN -0.037 nan 8.210 nan 0.000 0.419 427 L N -0.607 120.438 121.223 -0.297 0.000 2.131 427 L HA -0.102 4.238 4.340 -0.000 0.000 0.206 427 L C 0.650 177.423 176.870 -0.160 0.000 1.087 427 L CA 1.075 55.785 54.840 -0.216 0.000 0.767 427 L CB -0.315 41.646 42.059 -0.163 0.000 0.917 427 L HN 0.297 nan 8.230 nan 0.000 0.441 428 D N 0.251 120.568 120.400 -0.139 0.000 2.716 428 D HA -0.193 4.447 4.640 -0.000 0.000 0.239 428 D C -0.430 175.830 176.300 -0.066 0.000 1.125 428 D CA 0.791 54.736 54.000 -0.092 0.000 0.681 428 D CB -0.907 39.841 40.800 -0.087 0.000 1.070 428 D HN 0.466 nan 8.370 nan 0.000 0.432 429 I N -4.168 116.367 120.570 -0.059 0.000 3.149 429 I HA 0.516 4.686 4.170 -0.000 0.000 0.310 429 I C -0.766 175.340 176.117 -0.019 0.000 1.343 429 I CA -1.171 60.107 61.300 -0.037 0.000 0.955 429 I CB 1.810 39.786 38.000 -0.039 0.000 1.309 429 I HN -0.299 nan 8.210 nan 0.000 0.478 430 D N 2.564 122.963 120.400 -0.003 0.000 2.372 430 D HA 0.409 5.049 4.640 -0.000 0.000 0.243 430 D C -0.600 175.724 176.300 0.039 0.000 1.121 430 D CA 0.055 54.067 54.000 0.021 0.000 0.898 430 D CB 2.463 43.272 40.800 0.014 0.000 1.202 430 D HN 0.305 nan 8.370 nan 0.000 0.428 431 V N 2.327 122.297 119.914 0.092 0.000 2.409 431 V HA 0.190 4.310 4.120 -0.000 0.000 0.290 431 V C -0.139 176.080 176.094 0.209 0.000 1.017 431 V CA -0.669 61.704 62.300 0.121 0.000 0.841 431 V CB 1.584 33.461 31.823 0.090 0.000 1.003 431 V HN 0.426 nan 8.190 nan 0.000 0.426 432 Q N 5.167 125.050 119.800 0.138 0.000 2.312 432 Q HA 0.694 5.034 4.340 -0.000 0.000 0.263 432 Q C -0.369 175.712 176.000 0.136 0.000 0.995 432 Q CA -0.855 55.028 55.803 0.133 0.000 0.853 432 Q CB 1.892 30.663 28.738 0.054 0.000 1.300 432 Q HN 0.847 nan 8.270 nan 0.000 0.448 433 R N 1.837 122.436 120.500 0.164 0.000 2.664 433 R HA 0.808 5.148 4.340 -0.000 0.000 0.286 433 R C -0.855 175.498 176.300 0.088 0.000 0.967 433 R CA -0.679 55.503 56.100 0.136 0.000 0.933 433 R CB 1.383 31.792 30.300 0.181 0.000 1.146 433 R HN 0.560 nan 8.270 nan 0.000 0.468 434 A N 1.827 124.686 122.820 0.066 0.000 2.466 434 A HA 0.353 4.673 4.320 -0.000 0.000 0.238 434 A C 1.387 179.003 177.584 0.053 0.000 1.074 434 A CA 0.301 52.364 52.037 0.044 0.000 0.774 434 A CB 0.115 19.135 19.000 0.033 0.000 1.015 434 A HN 1.040 nan 8.150 nan 0.000 0.498 435 A N 1.759 124.604 122.820 0.042 0.000 1.883 435 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 435 A C 0.961 178.580 177.584 0.059 0.000 1.186 435 A CA 1.658 53.723 52.037 0.046 0.000 0.624 435 A CB -0.567 18.458 19.000 0.042 0.000 0.822 435 A HN 1.033 nan 8.150 nan 0.000 0.444 436 N N 0.042 118.782 118.700 0.066 0.000 2.479 436 N HA 0.368 5.108 4.740 -0.000 0.000 0.261 436 N C -0.084 175.471 175.510 0.074 0.000 0.979 436 N CA -0.488 52.609 53.050 0.078 0.000 0.930 436 N CB 1.376 39.927 38.487 0.107 0.000 1.172 436 N HN 0.224 nan 8.380 nan 0.000 0.499 437 L N 0.383 121.651 121.223 0.075 0.000 2.642 437 L HA -0.081 4.259 4.340 -0.000 0.000 0.236 437 L C 0.136 177.054 176.870 0.079 0.000 1.169 437 L CA 0.989 55.876 54.840 0.078 0.000 0.851 437 L CB -0.501 41.606 42.059 0.081 0.000 0.968 437 L HN 0.424 nan 8.230 nan 0.000 0.453 438 E N -0.516 119.736 120.200 0.086 0.000 2.368 438 E HA -0.015 4.335 4.350 -0.000 0.000 0.283 438 E C 1.600 178.242 176.600 0.070 0.000 1.476 438 E CA 0.138 56.597 56.400 0.097 0.000 1.786 438 E CB -0.099 29.683 29.700 0.137 0.000 1.518 438 E HN 0.252 nan 8.360 nan 0.000 0.456 439 T N -3.833 110.743 114.554 0.036 0.000 2.915 439 T HA -0.157 4.193 4.350 -0.000 0.000 0.269 439 T C 1.773 176.458 174.700 -0.026 0.000 1.071 439 T CA 1.317 63.407 62.100 -0.017 0.000 1.132 439 T CB -0.152 68.714 68.868 -0.004 0.000 0.878 439 T HN 0.117 nan 8.240 nan 0.000 0.479 440 T N 1.841 116.408 114.554 0.021 0.000 2.812 440 T HA 0.205 4.554 4.350 -0.000 0.000 0.264 440 T C 2.464 177.176 174.700 0.020 0.000 1.042 440 T CA 1.097 63.213 62.100 0.026 0.000 1.140 440 T CB -0.679 68.219 68.868 0.049 0.000 0.870 440 T HN 0.603 nan 8.240 nan 0.000 0.445 441 A N 1.393 124.247 122.820 0.057 0.000 1.855 441 A HA 0.050 4.370 4.320 -0.000 0.000 0.215 441 A C 2.218 179.805 177.584 0.005 0.000 1.191 441 A CA 1.122 53.226 52.037 0.111 0.000 0.613 441 A CB -0.959 18.179 19.000 0.230 0.000 0.829 441 A HN 0.383 nan 8.150 nan 0.000 0.442 442 L N 0.384 121.519 121.223 -0.148 0.000 2.129 442 L HA -0.110 4.230 4.340 -0.000 0.000 0.212 442 L C 2.346 178.746 176.870 -0.783 0.000 1.087 442 L CA 2.177 56.564 54.840 -0.755 0.000 0.757 442 L CB -0.845 40.782 42.059 -0.720 0.000 0.896 442 L HN 0.342 nan 8.230 nan 0.000 0.434 443 G N -1.442 107.141 108.800 -0.361 0.000 2.422 443 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.218 443 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.218 443 G C 1.557 176.434 174.900 -0.038 0.000 1.146 443 G CA 0.650 45.680 45.100 -0.117 0.000 0.769 443 G HN 0.601 nan 8.290 nan 0.000 0.547 444 A N 0.778 123.565 122.820 -0.055 0.000 2.016 444 A HA 0.476 4.795 4.320 -0.000 0.000 0.217 444 A C 2.693 180.294 177.584 0.028 0.000 1.162 444 A CA 1.760 53.794 52.037 -0.005 0.000 0.662 444 A CB -0.431 18.585 19.000 0.026 0.000 0.812 444 A HN 0.620 nan 8.150 nan 0.000 0.450 445 A N -1.122 121.679 122.820 -0.031 0.000 1.929 445 A HA 0.040 4.360 4.320 -0.000 0.000 0.216 445 A C 2.041 179.831 177.584 0.342 0.000 1.176 445 A CA 1.260 53.334 52.037 0.061 0.000 0.628 445 A CB -0.662 18.218 19.000 -0.201 0.000 0.816 445 A HN 0.492 nan 8.150 nan 0.000 0.444 446 Y N 0.234 120.617 120.300 0.138 0.000 2.163 446 Y HA -0.088 4.462 4.550 -0.000 0.000 0.288 446 Y C 2.234 178.303 175.900 0.281 0.000 1.136 446 Y CA 0.558 58.784 58.100 0.211 0.000 1.147 446 Y CB -1.130 37.404 38.460 0.123 0.000 0.987 446 Y HN 0.175 nan 8.280 nan 0.000 0.509 447 L N -0.682 120.695 121.223 0.257 0.000 2.012 447 L HA -0.273 4.067 4.340 -0.000 0.000 0.210 447 L C 2.654 179.578 176.870 0.090 0.000 1.073 447 L CA 1.402 56.245 54.840 0.005 0.000 0.748 447 L CB -0.881 41.061 42.059 -0.194 0.000 0.891 447 L HN 0.189 nan 8.230 nan 0.000 0.431 448 A N 0.169 123.064 122.820 0.125 0.000 1.873 448 A HA -0.095 4.225 4.320 -0.000 0.000 0.215 448 A C 2.426 180.076 177.584 0.110 0.000 1.186 448 A CA 1.586 53.674 52.037 0.085 0.000 0.616 448 A CB -1.342 17.692 19.000 0.057 0.000 0.823 448 A HN 0.433 nan 8.150 nan 0.000 0.442 449 G N 0.023 108.965 108.800 0.236 0.000 2.476 449 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.218 449 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.218 449 G C 1.539 176.625 174.900 0.311 0.000 1.164 449 G CA 1.206 46.453 45.100 0.245 0.000 0.768 449 G HN 0.439 nan 8.290 nan 0.000 0.560 450 L N 0.535 121.980 121.223 0.371 0.000 2.141 450 L HA 0.005 4.345 4.340 -0.000 0.000 0.209 450 L C 3.295 180.237 176.870 0.121 0.000 1.094 450 L CA 0.855 55.844 54.840 0.247 0.000 0.763 450 L CB -0.241 41.944 42.059 0.209 0.000 0.908 450 L HN 0.318 nan 8.230 nan 0.000 0.437 451 A N -0.311 122.554 122.820 0.075 0.000 2.016 451 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 451 A C 1.928 179.512 177.584 0.000 0.000 1.162 451 A CA 1.390 53.430 52.037 0.006 0.000 0.662 451 A CB -0.347 18.619 19.000 -0.055 0.000 0.812 451 A HN 0.315 nan 8.150 nan 0.000 0.450 452 V N -4.674 115.253 119.914 0.022 0.000 3.483 452 V HA 0.576 4.696 4.120 -0.000 0.000 0.301 452 V C 1.182 177.298 176.094 0.036 0.000 1.389 452 V CA 0.603 62.912 62.300 0.015 0.000 1.101 452 V CB -0.623 31.202 31.823 0.002 0.000 0.971 452 V HN 1.332 nan 8.190 nan 0.000 0.434 453 G N 0.046 108.878 108.800 0.054 0.000 2.176 453 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.253 453 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.253 453 G C 0.420 175.327 174.900 0.011 0.000 0.979 453 G CA 0.500 45.623 45.100 0.038 0.000 0.641 453 G HN 0.525 nan 8.290 nan 0.000 0.530 454 F N 0.169 119.996 119.950 -0.206 0.000 2.154 454 F HA 0.171 4.697 4.527 -0.001 0.000 0.301 454 F C 1.107 176.560 175.800 -0.578 0.000 1.087 454 F CA 1.647 59.359 58.000 -0.480 0.000 1.274 454 F CB 0.124 38.667 39.000 -0.762 0.000 1.009 454 F HN 0.278 nan 8.300 nan 0.000 0.485 455 W N 0.559 121.940 121.300 0.136 0.000 2.739 455 W HA 0.274 4.934 4.660 -0.000 0.000 0.331 455 W C 1.100 177.620 176.519 0.002 0.000 1.049 455 W CA -1.286 56.074 57.345 0.025 0.000 1.234 455 W CB 1.242 30.724 29.460 0.036 0.000 1.404 455 W HN -0.250 nan 8.180 nan 0.000 0.477 456 K N 0.771 121.277 120.400 0.176 0.000 2.026 456 K HA -0.182 4.138 4.320 -0.000 0.000 0.208 456 K C 0.190 176.835 176.600 0.075 0.000 1.048 456 K CA 2.046 58.386 56.287 0.088 0.000 0.929 456 K CB 0.302 32.831 32.500 0.047 0.000 0.713 456 K HN 0.580 nan 8.250 nan 0.000 0.439 457 D N -3.006 117.432 120.400 0.063 0.000 2.851 457 D HA -0.014 4.626 4.640 -0.000 0.000 0.339 457 D C 0.707 176.966 176.300 -0.069 0.000 1.347 457 D CA -0.651 53.351 54.000 0.003 0.000 0.888 457 D CB -0.016 40.776 40.800 -0.014 0.000 1.431 457 D HN -0.055 nan 8.370 nan 0.000 0.509 458 L N -0.073 121.063 121.223 -0.144 0.000 2.201 458 L HA -0.068 4.272 4.340 -0.000 0.000 0.212 458 L C 1.390 178.170 176.870 -0.149 0.000 1.105 458 L CA 1.277 55.963 54.840 -0.257 0.000 0.775 458 L CB -0.447 41.352 42.059 -0.434 0.000 0.913 458 L HN 0.368 nan 8.230 nan 0.000 0.440 459 D N 0.047 120.391 120.400 -0.093 0.000 2.144 459 D HA -0.223 4.417 4.640 -0.000 0.000 0.200 459 D C 1.975 178.232 176.300 -0.072 0.000 0.978 459 D CA 1.213 55.177 54.000 -0.060 0.000 0.833 459 D CB 0.096 40.875 40.800 -0.036 0.000 0.961 459 D HN 0.432 nan 8.370 nan 0.000 0.470 460 E N 0.091 120.249 120.200 -0.070 0.000 2.106 460 E HA -0.147 4.203 4.350 -0.000 0.000 0.192 460 E C 2.083 178.576 176.600 -0.179 0.000 0.984 460 E CA 0.282 56.645 56.400 -0.062 0.000 0.806 460 E CB 0.090 29.804 29.700 0.023 0.000 0.750 460 E HN 0.006 nan 8.360 nan 0.000 0.458 461 L N 1.351 122.402 121.223 -0.287 0.000 2.056 461 L HA -0.138 4.201 4.340 -0.000 0.000 0.207 461 L C 1.978 178.629 176.870 -0.365 0.000 1.078 461 L CA 1.762 56.281 54.840 -0.535 0.000 0.749 461 L CB -0.246 41.471 42.059 -0.569 0.000 0.901 461 L HN -0.010 nan 8.230 nan 0.000 0.433 462 K N -1.068 119.220 120.400 -0.187 0.000 2.362 462 K HA -0.069 4.251 4.320 -0.000 0.000 0.200 462 K C 1.999 178.532 176.600 -0.110 0.000 1.046 462 K CA 1.152 57.367 56.287 -0.121 0.000 0.952 462 K CB -0.119 32.351 32.500 -0.050 0.000 0.753 462 K HN 0.468 nan 8.250 nan 0.000 0.466 463 S N 0.233 115.866 115.700 -0.111 0.000 2.470 463 S HA 0.001 4.471 4.470 -0.000 0.000 0.225 463 S C 1.847 176.403 174.600 -0.073 0.000 1.006 463 S CA 0.354 58.510 58.200 -0.073 0.000 0.934 463 S CB -0.062 63.108 63.200 -0.051 0.000 0.778 463 S HN 0.167 nan 8.310 nan 0.000 0.517 464 M N 1.768 121.296 119.600 -0.120 0.000 2.492 464 M HA 0.254 4.734 4.480 -0.000 0.000 0.262 464 M C 1.153 177.418 176.300 -0.058 0.000 1.090 464 M CA 0.274 55.521 55.300 -0.088 0.000 1.110 464 M CB -0.515 31.985 32.600 -0.167 0.000 1.407 464 M HN 0.412 nan 8.290 nan 0.000 0.470 465 A N 2.054 124.824 122.820 -0.084 0.000 2.587 465 A HA -0.019 4.301 4.320 -0.000 0.000 0.235 465 A C 0.206 177.772 177.584 -0.031 0.000 1.044 465 A CA 0.591 52.591 52.037 -0.062 0.000 0.754 465 A CB -0.115 18.834 19.000 -0.085 0.000 0.968 465 A HN 0.486 nan 8.150 nan 0.000 0.509 466 E N 2.461 122.651 120.200 -0.016 0.000 2.343 466 E HA 0.254 4.604 4.350 -0.000 0.000 0.260 466 E C -0.480 176.117 176.600 -0.005 0.000 0.908 466 E CA -0.459 55.939 56.400 -0.004 0.000 0.814 466 E CB 0.657 30.367 29.700 0.016 0.000 1.302 466 E HN 0.823 nan 8.360 nan 0.000 0.408 467 E N 2.572 122.763 120.200 -0.014 0.000 2.442 467 E HA 0.302 4.652 4.350 -0.000 0.000 0.262 467 E C 0.278 176.874 176.600 -0.006 0.000 1.004 467 E CA -0.209 56.183 56.400 -0.014 0.000 0.928 467 E CB 0.953 30.640 29.700 -0.022 0.000 0.937 467 E HN 0.426 nan 8.360 nan 0.000 0.446 468 G N 1.464 110.265 108.800 0.001 0.000 2.795 468 G HA2 0.117 4.077 3.960 -0.000 0.000 0.267 468 G HA3 0.117 4.077 3.960 -0.000 0.000 0.267 468 G C -0.513 174.378 174.900 -0.014 0.000 1.362 468 G CA -0.740 44.366 45.100 0.009 0.000 1.048 468 G HN 0.468 nan 8.290 nan 0.000 0.547 469 Q N -0.465 119.324 119.800 -0.019 0.000 2.304 469 Q HA 0.127 4.467 4.340 -0.000 0.000 0.301 469 Q C -0.220 175.678 176.000 -0.171 0.000 1.063 469 Q CA 0.331 56.056 55.803 -0.130 0.000 0.947 469 Q CB 1.044 29.696 28.738 -0.143 0.000 1.201 469 Q HN 0.429 nan 8.270 nan 0.000 0.389 470 M N 3.277 122.686 119.600 -0.319 0.000 2.472 470 M HA 0.516 4.996 4.480 -0.000 0.000 0.331 470 M C -1.716 174.274 176.300 -0.517 0.000 1.170 470 M CA -0.137 55.022 55.300 -0.234 0.000 1.009 470 M CB 1.024 33.544 32.600 -0.134 0.000 1.672 470 M HN 0.396 nan 8.290 nan 0.000 0.453 471 F N 1.778 121.717 119.950 -0.019 0.000 2.518 471 F HA 0.545 5.071 4.527 -0.000 0.000 0.323 471 F C -0.298 175.484 175.800 -0.030 0.000 1.129 471 F CA -0.545 57.441 58.000 -0.024 0.000 0.920 471 F CB 2.276 41.259 39.000 -0.028 0.000 1.160 471 F HN 0.467 nan 8.300 nan 0.000 0.440 472 T N 4.238 118.852 114.554 0.100 0.000 2.859 472 T HA 0.417 4.767 4.350 -0.000 0.000 0.281 472 T C -2.692 172.033 174.700 0.042 0.000 1.005 472 T CA -1.777 60.352 62.100 0.047 0.000 1.025 472 T CB 1.607 70.480 68.868 0.008 0.000 0.977 472 T HN 0.125 nan 8.240 nan 0.000 0.458 473 P HA 0.148 nan 4.420 nan 0.000 0.265 473 P C 0.242 177.539 177.300 -0.005 0.000 1.193 473 P CA 0.008 63.100 63.100 -0.014 0.000 0.765 473 P CB 0.286 31.967 31.700 -0.032 0.000 0.823 474 E N 1.467 121.664 120.200 -0.006 0.000 2.933 474 E HA 0.161 4.510 4.350 -0.000 0.000 0.175 474 E C -0.357 176.247 176.600 0.005 0.000 0.932 474 E CA -0.317 56.086 56.400 0.004 0.000 1.340 474 E CB -0.040 29.670 29.700 0.017 0.000 1.025 474 E HN 0.298 nan 8.360 nan 0.000 0.461 475 M N 2.239 121.835 119.600 -0.007 0.000 2.300 475 M HA 0.487 4.966 4.480 -0.000 0.000 0.348 475 M C -2.568 173.735 176.300 0.005 0.000 1.151 475 M CA -1.798 53.504 55.300 0.002 0.000 1.046 475 M CB 1.223 33.814 32.600 -0.014 0.000 1.647 475 M HN -0.210 nan 8.290 nan 0.000 0.451 476 P HA 0.106 nan 4.420 nan 0.000 0.266 476 P C -0.303 177.010 177.300 0.023 0.000 1.195 476 P CA 0.053 63.165 63.100 0.021 0.000 0.768 476 P CB 0.686 32.403 31.700 0.029 0.000 0.838 477 A N 2.830 125.661 122.820 0.018 0.000 2.076 477 A HA -0.206 4.114 4.320 -0.000 0.000 0.220 477 A C 2.044 179.651 177.584 0.039 0.000 1.160 477 A CA 1.288 53.338 52.037 0.022 0.000 0.653 477 A CB -0.725 18.285 19.000 0.017 0.000 0.801 477 A HN 0.579 nan 8.150 nan 0.000 0.455 478 E N -0.075 120.150 120.200 0.041 0.000 2.031 478 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 478 E C 1.976 178.618 176.600 0.070 0.000 0.994 478 E CA 1.413 57.843 56.400 0.051 0.000 0.800 478 E CB -0.180 29.546 29.700 0.044 0.000 0.752 478 E HN 0.789 nan 8.360 nan 0.000 0.447 479 E N 0.356 120.599 120.200 0.072 0.000 2.017 479 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 479 E C 2.314 178.990 176.600 0.126 0.000 0.997 479 E CA 1.063 57.522 56.400 0.099 0.000 0.804 479 E CB -0.136 29.618 29.700 0.091 0.000 0.757 479 E HN 0.055 nan 8.360 nan 0.000 0.448 480 R N 0.625 121.179 120.500 0.089 0.000 2.133 480 R HA -0.230 4.110 4.340 -0.000 0.000 0.247 480 R C 1.421 177.813 176.300 0.154 0.000 1.151 480 R CA 2.397 58.548 56.100 0.086 0.000 0.971 480 R CB -0.134 30.169 30.300 0.004 0.000 0.866 480 R HN 0.142 nan 8.270 nan 0.000 0.447 481 D N -0.309 120.170 120.400 0.131 0.000 2.162 481 D HA -0.068 4.572 4.640 -0.000 0.000 0.203 481 D C 1.498 177.898 176.300 0.168 0.000 0.967 481 D CA 0.908 55.001 54.000 0.155 0.000 0.840 481 D CB -0.131 40.732 40.800 0.104 0.000 0.972 481 D HN 0.272 nan 8.370 nan 0.000 0.482 482 N N 0.330 119.121 118.700 0.152 0.000 2.106 482 N HA -0.065 4.675 4.740 -0.000 0.000 0.188 482 N C 1.982 177.626 175.510 0.222 0.000 1.029 482 N CA 0.531 53.672 53.050 0.151 0.000 0.848 482 N CB -0.373 38.196 38.487 0.137 0.000 1.007 482 N HN 0.207 nan 8.380 nan 0.000 0.423 483 L N -0.155 121.249 121.223 0.302 0.000 1.956 483 L HA -0.246 4.094 4.340 -0.000 0.000 0.216 483 L C 2.381 179.517 176.870 0.443 0.000 1.073 483 L CA 1.573 56.697 54.840 0.472 0.000 0.762 483 L CB -0.734 41.656 42.059 0.552 0.000 0.889 483 L HN 0.146 nan 8.230 nan 0.000 0.433 484 Y N 0.976 121.439 120.300 0.271 0.000 2.207 484 Y HA -0.303 4.246 4.550 -0.000 0.000 0.287 484 Y C 2.584 178.533 175.900 0.081 0.000 1.156 484 Y CA 1.961 60.176 58.100 0.191 0.000 1.182 484 Y CB -0.207 38.357 38.460 0.173 0.000 0.979 484 Y HN 0.226 nan 8.280 nan 0.000 0.521 485 E N -0.319 119.905 120.200 0.040 0.000 2.077 485 E HA -0.090 4.260 4.350 -0.000 0.000 0.193 485 E C 2.498 178.948 176.600 -0.250 0.000 0.989 485 E CA 1.596 57.925 56.400 -0.118 0.000 0.800 485 E CB -1.023 28.666 29.700 -0.019 0.000 0.746 485 E HN 0.463 nan 8.360 nan 0.000 0.452 486 G N 0.777 109.454 108.800 -0.205 0.000 2.440 486 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.218 486 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.218 486 G C 1.488 175.766 174.900 -1.037 0.000 1.154 486 G CA 0.823 45.635 45.100 -0.481 0.000 0.767 486 G HN 0.489 nan 8.290 nan 0.000 0.552 487 W N 1.515 122.127 121.300 -1.148 0.000 2.363 487 W HA -0.052 4.608 4.660 -0.000 0.000 0.296 487 W C 2.135 178.198 176.519 -0.760 0.000 1.212 487 W CA 1.452 58.133 57.345 -1.106 0.000 1.260 487 W CB -0.043 28.803 29.460 -1.023 0.000 1.131 487 W HN 0.204 nan 8.180 nan 0.000 0.530 488 K N 0.305 120.281 120.400 -0.707 0.000 2.148 488 K HA -0.186 4.134 4.320 -0.000 0.000 0.204 488 K C 2.260 178.478 176.600 -0.636 0.000 1.050 488 K CA 1.618 57.514 56.287 -0.652 0.000 0.942 488 K CB -0.421 31.800 32.500 -0.466 0.000 0.724 488 K HN 0.201 nan 8.250 nan 0.000 0.446 489 Q N -0.391 119.041 119.800 -0.613 0.000 2.172 489 Q HA -0.049 4.290 4.340 -0.000 0.000 0.200 489 Q C 2.085 177.618 176.000 -0.779 0.000 0.964 489 Q CA 1.076 56.543 55.803 -0.561 0.000 0.855 489 Q CB 0.017 28.486 28.738 -0.448 0.000 0.918 489 Q HN 0.348 nan 8.270 nan 0.000 0.444 490 A N 0.220 122.428 122.820 -1.020 0.000 1.855 490 A HA -0.137 4.183 4.320 -0.000 0.000 0.215 490 A C 2.262 179.197 177.584 -1.082 0.000 1.191 490 A CA 1.301 52.551 52.037 -1.312 0.000 0.613 490 A CB -0.768 17.587 19.000 -1.075 0.000 0.829 490 A HN 0.206 nan 8.150 nan 0.000 0.442 491 V N 0.016 119.280 119.914 -1.085 0.000 2.392 491 V HA -0.262 3.858 4.120 -0.000 0.000 0.249 491 V C 3.035 178.754 176.094 -0.626 0.000 1.059 491 V CA 1.959 63.705 62.300 -0.923 0.000 1.051 491 V CB -1.212 29.907 31.823 -1.172 0.000 0.658 491 V HN 0.621 nan 8.190 nan 0.000 0.455 492 A N -0.183 122.305 122.820 -0.553 0.000 1.933 492 A HA -0.069 4.250 4.320 -0.000 0.000 0.218 492 A C 2.364 179.788 177.584 -0.266 0.000 1.175 492 A CA 1.967 53.793 52.037 -0.351 0.000 0.628 492 A CB -0.592 18.227 19.000 -0.300 0.000 0.814 492 A HN 0.573 nan 8.150 nan 0.000 0.444 493 A N -1.253 121.362 122.820 -0.341 0.000 1.970 493 A HA 0.030 4.350 4.320 -0.000 0.000 0.216 493 A C 2.210 179.822 177.584 0.046 0.000 1.170 493 A CA 1.906 53.848 52.037 -0.158 0.000 0.645 493 A CB -0.937 17.897 19.000 -0.277 0.000 0.816 493 A HN 0.401 nan 8.150 nan 0.000 0.447 494 T N 0.245 114.792 114.554 -0.011 0.000 2.867 494 T HA -0.133 4.217 4.350 -0.000 0.000 0.268 494 T C 1.841 176.573 174.700 0.053 0.000 1.057 494 T CA 1.585 63.746 62.100 0.101 0.000 1.136 494 T CB -0.192 68.663 68.868 -0.022 0.000 0.874 494 T HN 0.610 nan 8.240 nan 0.000 0.466 495 Q N 0.599 120.365 119.800 -0.058 0.000 2.435 495 Q HA -0.011 4.329 4.340 -0.000 0.000 0.207 495 Q C 2.330 178.334 176.000 0.006 0.000 0.956 495 Q CA 1.114 56.892 55.803 -0.042 0.000 0.917 495 Q CB -0.073 28.604 28.738 -0.102 0.000 0.997 495 Q HN 0.659 nan 8.270 nan 0.000 0.497 496 T N -2.148 112.428 114.554 0.037 0.000 3.054 496 T HA 0.004 4.354 4.350 -0.000 0.000 0.259 496 T C 0.355 175.128 174.700 0.121 0.000 1.092 496 T CA -0.168 61.967 62.100 0.057 0.000 1.121 496 T CB -0.066 68.831 68.868 0.048 0.000 0.912 496 T HN 0.088 nan 8.240 nan 0.000 0.489 497 F N 3.156 123.126 119.950 0.034 0.000 2.377 497 F HA 0.460 4.987 4.527 -0.000 0.000 0.360 497 F C 0.214 176.056 175.800 0.071 0.000 1.147 497 F CA -1.213 56.824 58.000 0.061 0.000 1.170 497 F CB 0.376 39.413 39.000 0.062 0.000 1.339 497 F HN -0.222 nan 8.300 nan 0.000 0.552 498 K N 7.443 127.611 120.400 -0.387 0.000 3.202 498 K HA 0.079 4.398 4.320 -0.000 0.000 0.206 498 K C -0.743 175.631 176.600 -0.376 0.000 1.142 498 K CA -0.402 55.701 56.287 -0.306 0.000 0.979 498 K CB 0.074 32.496 32.500 -0.129 0.000 0.863 498 K HN 0.502 nan 8.250 nan 0.000 0.479 499 F N 2.602 122.025 119.950 -0.879 0.000 2.494 499 F HA 0.176 4.703 4.527 -0.000 0.000 0.369 499 F C 0.323 175.962 175.800 -0.268 0.000 1.098 499 F CA -0.289 57.382 58.000 -0.549 0.000 1.154 499 F CB 0.189 38.826 39.000 -0.606 0.000 1.103 499 F HN 0.073 nan 8.300 nan 0.000 0.549 500 K N 6.315 126.232 120.400 -0.806 0.000 2.354 500 K HA 0.779 5.099 4.320 -0.000 0.000 0.257 500 K C 0.421 176.460 176.600 -0.935 0.000 1.062 500 K CA -0.242 55.630 56.287 -0.693 0.000 0.971 500 K CB -0.080 32.219 32.500 -0.334 0.000 1.305 500 K HN 1.158 nan 8.250 nan 0.000 0.449 501 A N 0.000 122.140 122.820 -1.134 0.000 2.254 501 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 501 A CA 0.000 51.644 52.037 -0.654 0.000 0.836 501 A CB 0.000 18.866 19.000 -0.223 0.000 0.831 501 A HN 0.000 nan 8.150 nan 0.000 0.486