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_X 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 0.000 176.626 176.600 0.042 0.000 1.382 3 E CA 0.000 56.430 56.400 0.049 0.000 0.976 3 E CB 0.000 29.732 29.700 0.053 0.000 0.812 4 K N 1.021 121.455 120.400 0.056 0.000 3.171 4 K HA 0.265 4.585 4.320 0.001 0.000 0.146 4 K C 0.291 176.973 176.600 0.136 0.000 1.007 4 K CA 0.429 56.762 56.287 0.076 0.000 1.059 4 K CB -0.738 31.805 32.500 0.073 0.000 0.669 4 K HN 0.292 nan 8.250 nan 0.000 0.379 5 N N -0.646 118.072 118.700 0.030 0.000 2.273 5 N HA 0.287 5.028 4.740 0.001 0.000 0.192 5 N C -0.669 174.544 175.510 -0.495 0.000 1.132 5 N CA 0.444 53.367 53.050 -0.212 0.000 0.887 5 N CB 0.422 38.646 38.487 -0.438 0.000 1.048 5 N HN 0.589 nan 8.380 nan 0.000 0.490 6 Y N -0.810 119.543 120.300 0.088 0.000 2.562 6 Y HA 0.507 5.057 4.550 0.000 0.000 0.345 6 Y C -0.195 175.504 175.900 -0.335 0.000 1.045 6 Y CA -1.560 56.525 58.100 -0.025 0.000 1.028 6 Y CB 1.582 40.085 38.460 0.071 0.000 1.297 6 Y HN -0.289 nan 8.280 nan 0.000 0.463 7 V N 0.223 120.034 119.914 -0.171 0.000 2.680 7 V HA 0.693 4.814 4.120 0.001 0.000 0.309 7 V C -0.655 175.492 176.094 0.088 0.000 1.052 7 V CA -1.006 61.184 62.300 -0.183 0.000 0.908 7 V CB 1.899 33.539 31.823 -0.304 0.000 1.001 7 V HN 0.894 nan 8.190 nan 0.000 0.431 8 M N 3.949 123.592 119.600 0.072 0.000 2.364 8 M HA 0.854 5.335 4.480 0.001 0.000 0.334 8 M C -0.325 176.050 176.300 0.125 0.000 1.107 8 M CA -0.536 54.811 55.300 0.078 0.000 0.988 8 M CB 1.731 34.351 32.600 0.033 0.000 1.673 8 M HN 1.106 nan 8.290 nan 0.000 0.441 9 A N 5.571 128.477 122.820 0.143 0.000 2.331 9 A HA 0.764 5.085 4.320 0.001 0.000 0.320 9 A C -1.207 176.438 177.584 0.100 0.000 1.138 9 A CA -0.737 51.398 52.037 0.163 0.000 0.790 9 A CB 0.861 20.031 19.000 0.283 0.000 1.206 9 A HN 0.718 nan 8.150 nan 0.000 0.470 10 I N 2.331 122.961 120.570 0.101 0.000 2.406 10 I HA 0.343 4.514 4.170 0.001 0.000 0.290 10 I C -0.882 175.292 176.117 0.096 0.000 0.999 10 I CA -0.529 60.824 61.300 0.090 0.000 1.124 10 I CB 1.544 39.606 38.000 0.104 0.000 1.289 10 I HN 0.700 nan 8.210 nan 0.000 0.441 11 D N 5.917 126.375 120.400 0.096 0.000 2.446 11 D HA 0.104 4.745 4.640 0.001 0.000 0.251 11 D C -0.336 176.042 176.300 0.132 0.000 1.137 11 D CA -0.332 53.733 54.000 0.107 0.000 0.890 11 D CB 0.921 41.783 40.800 0.104 0.000 1.071 11 D HN 0.242 nan 8.370 nan 0.000 0.528 12 Q N 2.880 122.767 119.800 0.145 0.000 2.344 12 Q HA 0.440 4.781 4.340 0.001 0.000 0.253 12 Q C -0.025 176.120 176.000 0.241 0.000 1.050 12 Q CA -0.322 55.593 55.803 0.187 0.000 0.912 12 Q CB 0.932 29.768 28.738 0.163 0.000 1.258 12 Q HN 0.631 nan 8.270 nan 0.000 0.443 13 G N 2.215 111.196 108.800 0.301 0.000 2.568 13 G HA2 0.251 4.211 3.960 0.001 0.000 0.293 13 G HA3 0.251 4.211 3.960 0.001 0.000 0.293 13 G C 0.623 175.804 174.900 0.469 0.000 1.347 13 G CA -0.112 45.184 45.100 0.326 0.000 1.039 13 G HN 0.574 nan 8.290 nan 0.000 0.523 14 T N -0.370 114.454 114.554 0.449 0.000 2.777 14 T HA -0.076 4.274 4.350 0.001 0.000 0.266 14 T C 2.304 177.128 174.700 0.205 0.000 1.040 14 T CA 2.119 64.539 62.100 0.533 0.000 1.141 14 T CB -0.235 68.985 68.868 0.587 0.000 0.868 14 T HN 0.698 nan 8.240 nan 0.000 0.444 15 T N -1.213 113.302 114.554 -0.065 0.000 3.043 15 T HA 0.396 4.747 4.350 0.001 0.000 0.272 15 T C 0.454 174.755 174.700 -0.666 0.000 0.990 15 T CA -0.002 61.792 62.100 -0.509 0.000 0.897 15 T CB 0.242 68.999 68.868 -0.185 0.000 1.111 15 T HN 0.392 nan 8.240 nan 0.000 0.529 16 S N -0.161 115.417 115.700 -0.202 0.000 2.588 16 S HA 0.745 5.216 4.470 0.001 0.000 0.269 16 S C -1.253 173.531 174.600 0.305 0.000 1.157 16 S CA -0.780 57.450 58.200 0.050 0.000 0.824 16 S CB 1.798 65.011 63.200 0.021 0.000 1.126 16 S HN 0.150 nan 8.310 nan 0.000 0.464 17 S N 0.279 116.145 115.700 0.276 0.000 2.568 17 S HA 0.848 5.319 4.470 0.001 0.000 0.302 17 S C -0.635 174.035 174.600 0.117 0.000 1.082 17 S CA -0.886 57.437 58.200 0.205 0.000 1.009 17 S CB 1.635 64.934 63.200 0.165 0.000 1.069 17 S HN 0.818 nan 8.310 nan 0.000 0.500 18 R N 0.304 120.858 120.500 0.089 0.000 2.740 18 R HA 0.753 5.094 4.340 0.001 0.000 0.273 18 R C -2.066 174.249 176.300 0.025 0.000 0.998 18 R CA -0.654 55.474 56.100 0.047 0.000 0.900 18 R CB 1.587 31.918 30.300 0.052 0.000 1.223 18 R HN 0.761 nan 8.270 nan 0.000 0.466 19 A N 4.308 127.115 122.820 -0.022 0.000 2.427 19 A HA 0.691 5.011 4.320 0.001 0.000 0.298 19 A C -1.247 176.260 177.584 -0.128 0.000 1.036 19 A CA -0.678 51.325 52.037 -0.056 0.000 0.701 19 A CB 1.118 20.072 19.000 -0.078 0.000 1.250 19 A HN 0.597 nan 8.150 nan 0.000 0.412 20 I N 2.415 122.887 120.570 -0.163 0.000 2.619 20 I HA 0.422 4.593 4.170 0.001 0.000 0.292 20 I C -0.918 174.960 176.117 -0.397 0.000 1.100 20 I CA -0.465 60.631 61.300 -0.340 0.000 1.043 20 I CB 2.249 39.959 38.000 -0.484 0.000 1.239 20 I HN 0.529 nan 8.210 nan 0.000 0.420 21 I N 5.116 125.421 120.570 -0.441 0.000 2.354 21 I HA 0.405 4.576 4.170 0.001 0.000 0.292 21 I C -1.017 174.937 176.117 -0.272 0.000 0.989 21 I CA -0.346 60.788 61.300 -0.277 0.000 1.188 21 I CB 1.186 39.022 38.000 -0.272 0.000 1.342 21 I HN 0.299 nan 8.210 nan 0.000 0.457 22 F N 3.517 123.566 119.950 0.166 0.000 2.538 22 F HA 0.343 4.870 4.527 0.000 0.000 0.325 22 F C 0.239 176.302 175.800 0.437 0.000 1.066 22 F CA -0.811 57.358 58.000 0.281 0.000 0.946 22 F CB 1.347 40.541 39.000 0.324 0.000 1.199 22 F HN 0.454 nan 8.300 nan 0.000 0.473 23 D N -0.117 120.695 120.400 0.687 0.000 2.478 23 D HA 0.233 4.874 4.640 0.001 0.000 0.263 23 D C 0.716 177.329 176.300 0.521 0.000 1.153 23 D CA -0.747 53.582 54.000 0.549 0.000 1.038 23 D CB 0.538 41.594 40.800 0.426 0.000 1.120 23 D HN 0.486 nan 8.370 nan 0.000 0.564 24 R N -0.756 119.860 120.500 0.193 0.000 2.369 24 R HA 0.029 4.369 4.340 0.001 0.000 0.200 24 R C 0.174 176.621 176.300 0.244 0.000 1.046 24 R CA 0.330 56.331 56.100 -0.165 0.000 1.057 24 R CB -0.200 29.697 30.300 -0.672 0.000 0.888 24 R HN 0.352 nan 8.270 nan 0.000 0.474 25 N N -1.142 117.766 118.700 0.347 0.000 2.181 25 N HA 0.059 4.800 4.740 0.001 0.000 0.207 25 N C 0.413 176.129 175.510 0.344 0.000 1.182 25 N CA 0.856 54.089 53.050 0.306 0.000 0.893 25 N CB 1.664 40.268 38.487 0.196 0.000 1.032 25 N HN 0.303 nan 8.380 nan 0.000 0.513 26 G N 1.543 110.631 108.800 0.479 0.000 2.142 26 G HA2 -0.211 3.749 3.960 0.001 0.000 0.225 26 G HA3 -0.211 3.749 3.960 0.001 0.000 0.225 26 G C -0.278 174.876 174.900 0.423 0.000 1.015 26 G CA -0.049 45.269 45.100 0.363 0.000 0.716 26 G HN 0.047 nan 8.290 nan 0.000 0.508 27 K N 0.497 121.192 120.400 0.490 0.000 2.138 27 K HA 0.412 4.733 4.320 0.001 0.000 0.263 27 K C 0.435 177.289 176.600 0.423 0.000 0.965 27 K CA -0.687 55.841 56.287 0.402 0.000 0.868 27 K CB 1.397 34.054 32.500 0.262 0.000 1.083 27 K HN 0.319 nan 8.250 nan 0.000 0.443 28 K N 2.636 123.173 120.400 0.229 0.000 2.338 28 K HA 0.123 4.444 4.320 0.001 0.000 0.290 28 K C 0.730 177.306 176.600 -0.041 0.000 1.069 28 K CA -0.113 56.125 56.287 -0.082 0.000 0.941 28 K CB 0.185 32.614 32.500 -0.118 0.000 1.023 28 K HN 0.326 nan 8.250 nan 0.000 0.477 29 I N 1.716 122.240 120.570 -0.076 0.000 3.419 29 I HA 0.066 4.237 4.170 0.001 0.000 0.286 29 I C 0.865 176.905 176.117 -0.128 0.000 1.268 29 I CA 0.189 61.447 61.300 -0.070 0.000 1.414 29 I CB 0.295 38.225 38.000 -0.116 0.000 1.074 29 I HN 0.786 nan 8.210 nan 0.000 0.457 30 G N -0.459 108.235 108.800 -0.177 0.000 2.402 30 G HA2 0.507 4.467 3.960 0.001 0.000 0.301 30 G HA3 0.507 4.467 3.960 0.001 0.000 0.301 30 G C -1.211 173.563 174.900 -0.210 0.000 1.615 30 G CA -0.102 44.897 45.100 -0.168 0.000 0.889 30 G HN 0.142 nan 8.290 nan 0.000 0.647 31 S N -0.983 114.622 115.700 -0.159 0.000 2.570 31 S HA 0.903 5.374 4.470 0.001 0.000 0.270 31 S C -0.829 173.710 174.600 -0.102 0.000 1.149 31 S CA -0.009 58.100 58.200 -0.153 0.000 0.837 31 S CB 1.894 65.007 63.200 -0.145 0.000 1.124 31 S HN 2.061 nan 8.310 nan 0.000 0.465 32 S N 0.179 115.827 115.700 -0.087 0.000 2.564 32 S HA 0.718 5.189 4.470 0.001 0.000 0.274 32 S C -1.851 172.732 174.600 -0.029 0.000 1.124 32 S CA -0.434 57.733 58.200 -0.055 0.000 0.869 32 S CB 1.877 65.040 63.200 -0.061 0.000 1.105 32 S HN 0.987 nan 8.310 nan 0.000 0.472 33 Q N 2.289 122.084 119.800 -0.009 0.000 2.284 33 Q HA 0.555 4.895 4.340 0.001 0.000 0.269 33 Q C -1.942 174.072 176.000 0.023 0.000 1.026 33 Q CA -0.648 55.164 55.803 0.015 0.000 0.831 33 Q CB 1.547 30.298 28.738 0.020 0.000 1.322 33 Q HN 0.668 nan 8.270 nan 0.000 0.419 34 K N 2.741 123.169 120.400 0.048 0.000 2.501 34 K HA 0.365 4.685 4.320 0.001 0.000 0.252 34 K C -1.112 175.541 176.600 0.089 0.000 0.934 34 K CA -0.480 55.840 56.287 0.054 0.000 0.797 34 K CB 1.866 34.394 32.500 0.048 0.000 1.270 34 K HN 0.674 nan 8.250 nan 0.000 0.431 35 E N 2.400 122.624 120.200 0.039 0.000 2.345 35 E HA 0.308 4.659 4.350 0.001 0.000 0.259 35 E C -0.682 175.954 176.600 0.061 0.000 1.117 35 E CA -0.519 55.861 56.400 -0.033 0.000 0.913 35 E CB 0.701 30.346 29.700 -0.090 0.000 1.057 35 E HN 0.378 nan 8.360 nan 0.000 0.432 36 F N -1.983 117.932 119.950 -0.058 0.000 2.613 36 F HA 0.557 5.085 4.527 0.001 0.000 0.310 36 F C -2.884 172.830 175.800 -0.143 0.000 1.085 36 F CA -3.343 54.608 58.000 -0.081 0.000 0.945 36 F CB 0.062 39.015 39.000 -0.078 0.000 1.298 36 F HN 0.131 nan 8.300 nan 0.000 0.455 37 P HA 0.121 nan 4.420 nan 0.000 0.265 37 P C -1.137 175.931 177.300 -0.387 0.000 1.187 37 P CA 0.028 62.986 63.100 -0.238 0.000 0.766 37 P CB 0.524 32.054 31.700 -0.283 0.000 0.820 38 Q N 2.085 121.594 119.800 -0.485 0.000 2.312 38 Q HA 0.390 4.731 4.340 0.001 0.000 0.263 38 Q C -0.969 174.588 176.000 -0.738 0.000 0.995 38 Q CA -0.392 55.147 55.803 -0.441 0.000 0.853 38 Q CB 1.511 30.089 28.738 -0.267 0.000 1.300 38 Q HN 0.451 nan 8.270 nan 0.000 0.448 39 Y N 1.241 121.304 120.300 -0.395 0.000 2.341 39 Y HA 0.426 4.977 4.550 0.001 0.000 0.338 39 Y C -0.407 175.184 175.900 -0.515 0.000 0.965 39 Y CA -0.830 57.091 58.100 -0.298 0.000 1.108 39 Y CB 1.119 39.539 38.460 -0.066 0.000 1.180 39 Y HN 0.420 nan 8.280 nan 0.000 0.458 40 F N 4.215 124.284 119.950 0.199 0.000 2.449 40 F HA 0.346 4.874 4.527 0.001 0.000 0.344 40 F C -1.534 174.317 175.800 0.084 0.000 1.180 40 F CA -1.909 56.164 58.000 0.122 0.000 1.209 40 F CB 0.642 39.676 39.000 0.056 0.000 1.440 40 F HN 0.405 nan 8.300 nan 0.000 0.526 41 P HA -0.087 nan 4.420 nan 0.000 0.218 41 P C 0.044 177.241 177.300 -0.171 0.000 1.149 41 P CA 1.173 64.300 63.100 0.046 0.000 0.817 41 P CB 0.608 32.362 31.700 0.089 0.000 0.785 42 K N -1.381 118.843 120.400 -0.294 0.000 2.509 42 K HA 0.416 4.736 4.320 0.001 0.000 0.266 42 K C -0.729 175.742 176.600 -0.215 0.000 0.987 42 K CA -0.646 55.336 56.287 -0.509 0.000 0.868 42 K CB 1.805 33.511 32.500 -1.323 0.000 1.421 42 K HN -0.278 nan 8.250 nan 0.000 0.444 43 S N 0.283 115.899 115.700 -0.140 0.000 2.552 43 S HA 0.347 4.818 4.470 0.001 0.000 0.289 43 S C 1.144 175.808 174.600 0.108 0.000 1.304 43 S CA 1.670 59.865 58.200 -0.008 0.000 1.063 43 S CB -0.315 62.876 63.200 -0.014 0.000 0.848 43 S HN 0.862 nan 8.310 nan 0.000 0.499 44 G N 3.985 112.878 108.800 0.155 0.000 2.284 44 G HA2 -0.249 3.712 3.960 0.001 0.000 0.247 44 G HA3 -0.249 3.712 3.960 0.001 0.000 0.247 44 G C -0.133 174.951 174.900 0.307 0.000 1.012 44 G CA 0.252 45.477 45.100 0.208 0.000 0.618 44 G HN 0.638 nan 8.290 nan 0.000 0.521 45 W N 0.370 121.669 121.300 -0.001 0.000 2.315 45 W HA 0.655 5.316 4.660 0.001 0.000 0.316 45 W C 0.082 176.583 176.519 -0.030 0.000 1.211 45 W CA -0.833 56.474 57.345 -0.063 0.000 1.201 45 W CB 1.373 30.790 29.460 -0.072 0.000 1.184 45 W HN 0.227 nan 8.180 nan 0.000 0.544 46 V N 3.556 123.486 119.914 0.026 0.000 2.612 46 V HA 0.357 4.478 4.120 0.001 0.000 0.301 46 V C -0.383 175.559 176.094 -0.254 0.000 1.059 46 V CA -1.191 61.009 62.300 -0.166 0.000 0.886 46 V CB 1.483 33.184 31.823 -0.203 0.000 1.007 46 V HN 0.509 nan 8.190 nan 0.000 0.426 47 E N 2.761 122.839 120.200 -0.203 0.000 2.392 47 E HA 0.684 5.035 4.350 0.001 0.000 0.269 47 E C -1.413 175.275 176.600 0.147 0.000 0.924 47 E CA -0.997 55.346 56.400 -0.096 0.000 0.784 47 E CB 3.079 32.785 29.700 0.010 0.000 1.292 47 E HN 0.781 nan 8.360 nan 0.000 0.447 48 H N 0.117 119.272 119.070 0.143 0.000 2.895 48 H HA 0.264 4.821 4.556 0.001 0.000 0.373 48 H C -0.795 174.641 175.328 0.180 0.000 1.174 48 H CA -1.061 55.136 56.048 0.247 0.000 1.144 48 H CB 2.025 31.913 29.762 0.209 0.000 1.793 48 H HN 0.268 nan 8.280 nan 0.000 0.551 49 N N 1.465 120.385 118.700 0.367 0.000 2.439 49 N HA 0.095 4.836 4.740 0.001 0.000 0.249 49 N C 0.643 176.212 175.510 0.099 0.000 1.003 49 N CA 0.034 53.194 53.050 0.184 0.000 0.942 49 N CB 1.499 40.123 38.487 0.228 0.000 1.115 49 N HN 0.789 nan 8.380 nan 0.000 0.505 50 A N 4.548 127.364 122.820 -0.007 0.000 1.948 50 A HA -0.204 4.117 4.320 0.001 0.000 0.220 50 A C 1.806 179.550 177.584 0.266 0.000 1.177 50 A CA 1.297 53.284 52.037 -0.083 0.000 0.636 50 A CB -0.223 18.394 19.000 -0.638 0.000 0.815 50 A HN 0.738 nan 8.150 nan 0.000 0.449 51 N N -0.112 118.735 118.700 0.245 0.000 2.270 51 N HA -0.103 4.638 4.740 0.001 0.000 0.181 51 N C 1.555 177.231 175.510 0.276 0.000 1.016 51 N CA 1.400 54.665 53.050 0.358 0.000 0.870 51 N CB -0.343 38.300 38.487 0.261 0.000 0.979 51 N HN 0.682 nan 8.380 nan 0.000 0.431 52 E N 0.425 120.727 120.200 0.171 0.000 2.208 52 E HA -0.005 4.346 4.350 0.001 0.000 0.193 52 E C 1.831 178.423 176.600 -0.014 0.000 0.988 52 E CA 0.367 56.831 56.400 0.108 0.000 0.828 52 E CB 0.090 29.881 29.700 0.152 0.000 0.763 52 E HN 0.370 nan 8.360 nan 0.000 0.478 53 I N 0.652 121.170 120.570 -0.087 0.000 2.286 53 I HA -0.210 3.961 4.170 0.001 0.000 0.245 53 I C 2.368 178.508 176.117 0.038 0.000 1.104 53 I CA 0.836 61.962 61.300 -0.290 0.000 1.397 53 I CB -0.280 37.564 38.000 -0.259 0.000 1.072 53 I HN 0.366 nan 8.210 nan 0.000 0.417 54 W N 2.452 123.774 121.300 0.036 0.000 2.358 54 W HA -0.243 4.417 4.660 0.000 0.000 0.303 54 W C 2.069 178.575 176.519 -0.021 0.000 1.208 54 W CA 1.279 58.617 57.345 -0.012 0.000 1.274 54 W CB -0.184 29.262 29.460 -0.024 0.000 1.138 54 W HN 0.181 nan 8.180 nan 0.000 0.515 55 N N 0.729 119.348 118.700 -0.135 0.000 2.142 55 N HA -0.194 4.546 4.740 0.001 0.000 0.186 55 N C 2.027 177.417 175.510 -0.201 0.000 1.023 55 N CA 2.294 55.193 53.050 -0.252 0.000 0.852 55 N CB -1.025 37.422 38.487 -0.067 0.000 0.998 55 N HN 0.228 nan 8.380 nan 0.000 0.424 56 S N 0.014 115.655 115.700 -0.099 0.000 2.399 56 S HA -0.060 4.411 4.470 0.001 0.000 0.231 56 S C 2.076 176.628 174.600 -0.081 0.000 1.022 56 S CA 0.929 59.109 58.200 -0.033 0.000 0.983 56 S CB -0.617 62.625 63.200 0.069 0.000 0.803 56 S HN 0.041 nan 8.310 nan 0.000 0.480 57 V N 2.067 121.890 119.914 -0.151 0.000 2.453 57 V HA -0.139 3.982 4.120 0.001 0.000 0.247 57 V C 2.867 178.785 176.094 -0.293 0.000 1.048 57 V CA 1.942 64.147 62.300 -0.160 0.000 1.049 57 V CB -0.860 30.916 31.823 -0.078 0.000 0.672 57 V HN 0.567 nan 8.190 nan 0.000 0.457 58 Q N -0.179 119.293 119.800 -0.547 0.000 2.084 58 Q HA -0.157 4.183 4.340 0.001 0.000 0.202 58 Q C 2.473 178.346 176.000 -0.212 0.000 0.978 58 Q CA 1.874 57.384 55.803 -0.489 0.000 0.844 58 Q CB -0.293 28.066 28.738 -0.632 0.000 0.898 58 Q HN 0.592 nan 8.270 nan 0.000 0.426 59 S N 0.956 116.552 115.700 -0.174 0.000 2.368 59 S HA -0.133 4.337 4.470 0.001 0.000 0.225 59 S C 2.263 176.826 174.600 -0.062 0.000 1.030 59 S CA 1.607 59.754 58.200 -0.088 0.000 0.999 59 S CB -0.374 62.789 63.200 -0.062 0.000 0.844 59 S HN 0.443 nan 8.310 nan 0.000 0.459 60 V N -0.048 119.829 119.914 -0.061 0.000 2.871 60 V HA 0.090 4.211 4.120 0.001 0.000 0.256 60 V C 1.807 177.858 176.094 -0.071 0.000 1.082 60 V CA 0.955 63.226 62.300 -0.050 0.000 1.105 60 V CB -0.915 30.894 31.823 -0.024 0.000 0.713 60 V HN 0.403 nan 8.190 nan 0.000 0.473 61 I N 1.216 121.750 120.570 -0.060 0.000 2.233 61 I HA -0.096 4.075 4.170 0.001 0.000 0.243 61 I C 2.943 179.032 176.117 -0.046 0.000 1.093 61 I CA 1.478 62.742 61.300 -0.060 0.000 1.380 61 I CB -0.596 37.430 38.000 0.042 0.000 1.067 61 I HN 0.360 nan 8.210 nan 0.000 0.413 62 A N 1.122 123.952 122.820 0.016 0.000 1.858 62 A HA -0.152 4.168 4.320 0.001 0.000 0.216 62 A C 2.457 180.026 177.584 -0.025 0.000 1.190 62 A CA 1.990 54.035 52.037 0.014 0.000 0.617 62 A CB -1.584 17.418 19.000 0.003 0.000 0.827 62 A HN 0.443 nan 8.150 nan 0.000 0.443 63 G N -0.477 108.294 108.800 -0.049 0.000 2.505 63 G HA2 -0.106 3.855 3.960 0.001 0.000 0.220 63 G HA3 -0.106 3.855 3.960 0.001 0.000 0.220 63 G C 1.719 176.566 174.900 -0.088 0.000 1.145 63 G CA 1.805 46.870 45.100 -0.059 0.000 0.761 63 G HN 0.917 nan 8.290 nan 0.000 0.571 64 A N -0.140 122.592 122.820 -0.147 0.000 1.969 64 A HA 0.228 4.549 4.320 0.001 0.000 0.218 64 A C 2.145 179.586 177.584 -0.238 0.000 1.169 64 A CA 1.199 53.102 52.037 -0.224 0.000 0.635 64 A CB -0.406 18.405 19.000 -0.315 0.000 0.810 64 A HN 0.261 nan 8.150 nan 0.000 0.445 65 F N 0.076 119.925 119.950 -0.169 0.000 2.113 65 F HA -0.070 4.458 4.527 0.002 0.000 0.297 65 F C 2.156 177.847 175.800 -0.182 0.000 1.103 65 F CA 0.971 58.847 58.000 -0.206 0.000 1.248 65 F CB -0.530 38.282 39.000 -0.312 0.000 0.999 65 F HN 0.111 nan 8.300 nan 0.000 0.475 66 I N 0.012 120.599 120.570 0.028 0.000 2.127 66 I HA -0.322 3.849 4.170 0.001 0.000 0.241 66 I C 2.462 178.555 176.117 -0.039 0.000 1.075 66 I CA 2.005 63.289 61.300 -0.026 0.000 1.334 66 I CB -0.499 37.477 38.000 -0.040 0.000 1.040 66 I HN 0.114 nan 8.210 nan 0.000 0.405 67 E N 1.000 121.168 120.200 -0.053 0.000 2.204 67 E HA -0.210 4.140 4.350 0.001 0.000 0.195 67 E C 2.000 178.558 176.600 -0.070 0.000 0.990 67 E CA 1.763 58.126 56.400 -0.061 0.000 0.821 67 E CB -0.054 29.603 29.700 -0.072 0.000 0.750 67 E HN 0.529 nan 8.360 nan 0.000 0.477 68 S N -1.456 114.193 115.700 -0.085 0.000 2.483 68 S HA 0.241 4.711 4.470 0.001 0.000 0.221 68 S C 1.828 176.376 174.600 -0.087 0.000 1.030 68 S CA 0.314 58.448 58.200 -0.109 0.000 0.925 68 S CB 0.054 63.150 63.200 -0.173 0.000 0.795 68 S HN 0.669 nan 8.310 nan 0.000 0.511 69 G N 1.983 110.753 108.800 -0.050 0.000 2.148 69 G HA2 -0.253 3.707 3.960 0.001 0.000 0.254 69 G HA3 -0.253 3.707 3.960 0.001 0.000 0.254 69 G C 0.078 174.952 174.900 -0.043 0.000 0.981 69 G CA 0.440 45.514 45.100 -0.043 0.000 0.670 69 G HN 1.106 nan 8.290 nan 0.000 0.528 70 I N -2.354 118.197 120.570 -0.032 0.000 2.664 70 I HA 0.821 4.991 4.170 0.001 0.000 0.308 70 I C 0.455 176.588 176.117 0.026 0.000 0.984 70 I CA -1.541 59.744 61.300 -0.025 0.000 1.213 70 I CB 0.970 38.873 38.000 -0.162 0.000 1.379 70 I HN -0.015 nan 8.210 nan 0.000 0.501 71 R N 3.506 124.006 120.500 -0.000 0.000 2.500 71 R HA 0.320 4.661 4.340 0.001 0.000 0.275 71 R C -1.862 174.391 176.300 -0.080 0.000 1.051 71 R CA -1.353 54.682 56.100 -0.108 0.000 1.088 71 R CB 0.625 30.895 30.300 -0.051 0.000 1.063 71 R HN 0.471 nan 8.270 nan 0.000 0.511 72 P HA -0.195 nan 4.420 nan 0.000 0.217 72 P C 0.327 177.721 177.300 0.157 0.000 1.150 72 P CA 1.206 64.239 63.100 -0.112 0.000 0.832 72 P CB 0.121 31.664 31.700 -0.262 0.000 0.787 73 E N -0.496 119.749 120.200 0.074 0.000 2.533 73 E HA 0.007 4.358 4.350 0.001 0.000 0.201 73 E C 1.141 177.808 176.600 0.111 0.000 1.097 73 E CA 0.610 57.065 56.400 0.092 0.000 0.887 73 E CB -0.554 29.177 29.700 0.053 0.000 0.855 73 E HN 0.152 nan 8.360 nan 0.000 0.540 74 A N 0.970 123.888 122.820 0.163 0.000 2.431 74 A HA 0.220 4.541 4.320 0.001 0.000 0.239 74 A C 0.466 178.195 177.584 0.243 0.000 1.230 74 A CA -0.430 51.733 52.037 0.209 0.000 0.928 74 A CB 0.378 19.549 19.000 0.285 0.000 1.006 74 A HN 0.142 nan 8.150 nan 0.000 0.520 75 I N 0.985 121.694 120.570 0.231 0.000 2.352 75 I HA 0.227 4.398 4.170 0.001 0.000 0.290 75 I C 1.541 177.679 176.117 0.035 0.000 1.036 75 I CA 0.034 61.440 61.300 0.176 0.000 1.336 75 I CB 0.595 38.760 38.000 0.275 0.000 1.407 75 I HN 0.234 nan 8.210 nan 0.000 0.497 76 A N 5.458 128.217 122.820 -0.102 0.000 1.929 76 A HA 0.351 4.672 4.320 0.001 0.000 0.216 76 A C 1.083 178.588 177.584 -0.132 0.000 1.176 76 A CA 1.248 53.194 52.037 -0.151 0.000 0.628 76 A CB -0.179 18.613 19.000 -0.345 0.000 0.816 76 A HN 0.845 nan 8.150 nan 0.000 0.444 77 G N -2.087 106.621 108.800 -0.153 0.000 2.523 77 G HA2 0.496 4.457 3.960 0.001 0.000 0.291 77 G HA3 0.496 4.457 3.960 0.001 0.000 0.291 77 G C -1.431 173.435 174.900 -0.056 0.000 1.450 77 G CA -0.682 44.362 45.100 -0.093 0.000 0.790 77 G HN 0.172 nan 8.290 nan 0.000 0.496 78 I N 0.560 121.112 120.570 -0.030 0.000 2.433 78 I HA 0.601 4.772 4.170 0.001 0.000 0.292 78 I C 0.597 176.753 176.117 0.066 0.000 1.001 78 I CA -0.850 60.457 61.300 0.012 0.000 1.119 78 I CB 2.321 40.299 38.000 -0.037 0.000 1.289 78 I HN 0.639 nan 8.210 nan 0.000 0.438 79 G N 6.629 115.487 108.800 0.096 0.000 2.415 79 G HA2 0.768 4.729 3.960 0.001 0.000 0.327 79 G HA3 0.768 4.729 3.960 0.001 0.000 0.327 79 G C -0.906 174.053 174.900 0.099 0.000 1.182 79 G CA -0.415 44.753 45.100 0.113 0.000 0.924 79 G HN 0.469 nan 8.290 nan 0.000 0.470 80 I N 1.136 121.754 120.570 0.081 0.000 2.436 80 I HA 0.448 4.618 4.170 0.001 0.000 0.289 80 I C -0.083 176.063 176.117 0.048 0.000 1.010 80 I CA -0.537 60.800 61.300 0.063 0.000 1.098 80 I CB 2.620 40.641 38.000 0.036 0.000 1.266 80 I HN 0.431 nan 8.210 nan 0.000 0.434 81 T N 5.976 120.566 114.554 0.060 0.000 2.893 81 T HA 0.567 4.918 4.350 0.001 0.000 0.293 81 T C -1.206 173.535 174.700 0.068 0.000 1.027 81 T CA -0.652 61.478 62.100 0.050 0.000 0.988 81 T CB 1.040 69.939 68.868 0.052 0.000 1.043 81 T HN 0.814 nan 8.240 nan 0.000 0.461 82 N N 2.247 120.983 118.700 0.059 0.000 2.774 82 N HA 0.285 5.025 4.740 0.001 0.000 0.264 82 N C -1.268 174.289 175.510 0.077 0.000 1.415 82 N CA -0.924 52.181 53.050 0.092 0.000 0.815 82 N CB 1.238 39.786 38.487 0.102 0.000 1.514 82 N HN 0.768 nan 8.380 nan 0.000 0.523 83 Q N 0.392 120.277 119.800 0.142 0.000 2.313 83 Q HA 0.328 4.668 4.340 0.001 0.000 0.266 83 Q C -0.356 175.696 176.000 0.087 0.000 0.989 83 Q CA -0.169 55.713 55.803 0.131 0.000 0.890 83 Q CB 1.020 29.979 28.738 0.368 0.000 1.200 83 Q HN 0.352 nan 8.270 nan 0.000 0.396 84 R N 1.791 122.254 120.500 -0.063 0.000 2.583 84 R HA 0.111 4.452 4.340 0.001 0.000 0.268 84 R C 0.021 176.372 176.300 0.085 0.000 1.101 84 R CA -0.384 55.706 56.100 -0.016 0.000 1.180 84 R CB 0.366 30.609 30.300 -0.095 0.000 1.128 84 R HN 0.886 nan 8.270 nan 0.000 0.568 85 E N -1.371 118.901 120.200 0.120 0.000 5.150 85 E HA -0.239 4.111 4.350 0.001 0.000 0.167 85 E C -0.389 176.354 176.600 0.239 0.000 1.196 85 E CA 2.265 58.774 56.400 0.183 0.000 2.189 85 E CB -1.502 28.278 29.700 0.134 0.000 1.820 85 E HN 0.710 nan 8.360 nan 0.000 0.420 86 T N 2.149 116.877 114.554 0.291 0.000 2.777 86 T HA 0.121 4.471 4.350 0.001 0.000 0.273 86 T C 0.084 174.891 174.700 0.178 0.000 1.016 86 T CA 1.270 63.510 62.100 0.234 0.000 1.156 86 T CB 0.252 69.288 68.868 0.281 0.000 1.019 86 T HN 0.161 nan 8.240 nan 0.000 0.503 87 T N 3.707 118.348 114.554 0.144 0.000 2.829 87 T HA 0.596 4.946 4.350 0.001 0.000 0.280 87 T C -0.368 174.392 174.700 0.100 0.000 0.999 87 T CA -0.637 61.577 62.100 0.191 0.000 0.983 87 T CB 1.373 70.411 68.868 0.283 0.000 0.968 87 T HN 0.371 nan 8.240 nan 0.000 0.446 88 V N 2.932 122.899 119.914 0.088 0.000 2.709 88 V HA 0.668 4.788 4.120 0.001 0.000 0.308 88 V C -0.657 175.524 176.094 0.145 0.000 1.062 88 V CA -0.816 61.487 62.300 0.006 0.000 0.901 88 V CB 2.135 33.809 31.823 -0.247 0.000 1.003 88 V HN 0.691 nan 8.190 nan 0.000 0.425 89 V N 3.929 123.900 119.914 0.095 0.000 2.531 89 V HA 0.680 4.801 4.120 0.001 0.000 0.301 89 V C -0.936 175.192 176.094 0.055 0.000 1.034 89 V CA -0.477 61.833 62.300 0.016 0.000 0.865 89 V CB 1.704 33.527 31.823 0.001 0.000 0.995 89 V HN 1.065 nan 8.190 nan 0.000 0.424 90 W N 2.527 123.678 121.300 -0.248 0.000 3.029 90 W HA 0.651 5.312 4.660 0.001 0.000 0.339 90 W C -0.876 175.521 176.519 -0.203 0.000 1.198 90 W CA -0.913 56.289 57.345 -0.238 0.000 1.148 90 W CB 0.901 30.185 29.460 -0.294 0.000 1.451 90 W HN 0.521 nan 8.180 nan 0.000 0.564 91 D N 2.526 122.995 120.400 0.116 0.000 2.325 91 D HA 0.006 4.647 4.640 0.001 0.000 0.251 91 D C 1.152 177.531 176.300 0.132 0.000 1.196 91 D CA -0.004 54.022 54.000 0.043 0.000 0.866 91 D CB 1.372 42.224 40.800 0.085 0.000 1.101 91 D HN 0.693 nan 8.370 nan 0.000 0.476 92 K N 1.794 122.189 120.400 -0.008 0.000 2.360 92 K HA -0.101 4.220 4.320 0.001 0.000 0.201 92 K C 1.121 177.918 176.600 0.328 0.000 1.046 92 K CA 1.075 57.458 56.287 0.161 0.000 0.945 92 K CB 0.070 32.587 32.500 0.028 0.000 0.750 92 K HN 0.200 nan 8.250 nan 0.000 0.464 93 T N 0.626 115.303 114.554 0.205 0.000 2.953 93 T HA -0.080 4.271 4.350 0.001 0.000 0.247 93 T C 2.011 176.828 174.700 0.195 0.000 1.029 93 T CA 1.498 63.703 62.100 0.176 0.000 1.144 93 T CB -0.056 68.872 68.868 0.101 0.000 0.870 93 T HN 0.592 nan 8.240 nan 0.000 0.446 94 T N -0.971 113.700 114.554 0.195 0.000 3.054 94 T HA 0.345 4.696 4.350 0.001 0.000 0.259 94 T C 2.018 176.874 174.700 0.261 0.000 1.092 94 T CA 1.067 63.276 62.100 0.181 0.000 1.121 94 T CB -0.296 68.656 68.868 0.138 0.000 0.912 94 T HN 0.527 nan 8.240 nan 0.000 0.489 95 G N 0.939 109.984 108.800 0.409 0.000 2.205 95 G HA2 -0.237 3.724 3.960 0.001 0.000 0.261 95 G HA3 -0.237 3.724 3.960 0.001 0.000 0.261 95 G C 0.038 175.175 174.900 0.394 0.000 0.980 95 G CA 0.068 45.509 45.100 0.569 0.000 0.632 95 G HN 0.635 nan 8.290 nan 0.000 0.533 96 Q N 0.994 120.963 119.800 0.281 0.000 2.304 96 Q HA 0.374 4.715 4.340 0.001 0.000 0.260 96 Q C -2.242 173.859 176.000 0.168 0.000 0.965 96 Q CA -1.633 54.293 55.803 0.205 0.000 0.898 96 Q CB 0.950 29.774 28.738 0.143 0.000 1.196 96 Q HN 0.252 nan 8.270 nan 0.000 0.402 97 P HA 0.015 nan 4.420 nan 0.000 0.269 97 P C 0.814 178.133 177.300 0.031 0.000 1.209 97 P CA 0.158 63.253 63.100 -0.008 0.000 0.776 97 P CB 0.371 31.980 31.700 -0.152 0.000 0.876 98 I N -0.426 120.161 120.570 0.028 0.000 3.111 98 I HA 0.333 4.504 4.170 0.001 0.000 0.272 98 I C 0.607 176.740 176.117 0.027 0.000 1.268 98 I CA 0.563 61.877 61.300 0.024 0.000 1.467 98 I CB -0.170 37.835 38.000 0.008 0.000 1.087 98 I HN 0.223 nan 8.210 nan 0.000 0.467 99 A N 0.535 123.367 122.820 0.021 0.000 2.410 99 A HA 0.405 4.726 4.320 0.001 0.000 0.300 99 A C -1.083 176.503 177.584 0.004 0.000 1.077 99 A CA -0.802 51.255 52.037 0.033 0.000 0.610 99 A CB 0.106 19.159 19.000 0.088 0.000 1.371 99 A HN 0.139 nan 8.150 nan 0.000 0.510 100 N N 0.432 119.136 118.700 0.007 0.000 2.381 100 N HA 0.457 5.198 4.740 0.001 0.000 0.241 100 N C 0.280 175.777 175.510 -0.021 0.000 1.279 100 N CA 0.881 53.922 53.050 -0.015 0.000 0.896 100 N CB 0.819 39.291 38.487 -0.024 0.000 1.118 100 N HN 1.027 nan 8.380 nan 0.000 0.438 101 A N 1.597 124.401 122.820 -0.027 0.000 2.354 101 A HA 0.438 4.759 4.320 0.001 0.000 0.269 101 A C 0.279 177.822 177.584 -0.069 0.000 1.109 101 A CA -0.414 51.597 52.037 -0.043 0.000 0.800 101 A CB 0.023 18.999 19.000 -0.039 0.000 1.045 101 A HN 0.630 nan 8.150 nan 0.000 0.489 102 I N 2.887 123.401 120.570 -0.095 0.000 2.315 102 I HA 0.220 4.391 4.170 0.001 0.000 0.291 102 I C -0.212 175.815 176.117 -0.151 0.000 1.006 102 I CA -0.564 60.623 61.300 -0.189 0.000 1.265 102 I CB 1.314 39.167 38.000 -0.244 0.000 1.387 102 I HN 0.300 nan 8.210 nan 0.000 0.475 103 V N 6.286 126.043 119.914 -0.263 0.000 2.834 103 V HA 0.008 4.129 4.120 0.001 0.000 0.301 103 V C 1.207 177.218 176.094 -0.139 0.000 1.066 103 V CA -0.442 61.699 62.300 -0.264 0.000 1.052 103 V CB 1.093 32.544 31.823 -0.621 0.000 1.021 103 V HN 0.948 nan 8.190 nan 0.000 0.480 104 W N 1.957 123.274 121.300 0.029 0.000 2.341 104 W HA -0.216 4.444 4.660 0.001 0.000 0.283 104 W C 1.228 177.797 176.519 0.083 0.000 1.215 104 W CA 1.197 58.625 57.345 0.138 0.000 1.211 104 W CB -0.744 28.903 29.460 0.311 0.000 1.131 104 W HN 0.675 nan 8.180 nan 0.000 0.552 105 Q N 1.091 120.440 119.800 -0.753 0.000 2.369 105 Q HA -0.038 4.303 4.340 0.001 0.000 0.206 105 Q C 1.398 177.182 176.000 -0.360 0.000 0.963 105 Q CA 0.669 56.026 55.803 -0.744 0.000 0.894 105 Q CB -0.079 28.107 28.738 -0.920 0.000 0.965 105 Q HN 0.066 nan 8.270 nan 0.000 0.475 106 S N 0.091 115.615 115.700 -0.292 0.000 2.579 106 S HA 0.073 4.544 4.470 0.001 0.000 0.275 106 S C 0.797 175.268 174.600 -0.215 0.000 1.345 106 S CA -0.132 57.924 58.200 -0.240 0.000 1.031 106 S CB 0.503 63.511 63.200 -0.319 0.000 0.892 106 S HN 0.218 nan 8.310 nan 0.000 0.529 107 R N 1.726 122.109 120.500 -0.195 0.000 2.508 107 R HA 0.067 4.408 4.340 0.001 0.000 0.300 107 R C 1.761 177.905 176.300 -0.260 0.000 0.970 107 R CA 0.018 56.029 56.100 -0.148 0.000 1.102 107 R CB -0.058 30.225 30.300 -0.028 0.000 1.246 107 R HN 0.857 nan 8.270 nan 0.000 0.539 108 Q N 0.756 120.173 119.800 -0.638 0.000 2.368 108 Q HA -0.076 4.265 4.340 0.001 0.000 0.210 108 Q C 0.870 176.475 176.000 -0.657 0.000 0.982 108 Q CA 1.770 56.897 55.803 -1.127 0.000 0.884 108 Q CB -0.077 27.149 28.738 -2.521 0.000 0.933 108 Q HN 0.091 nan 8.270 nan 0.000 0.460 109 S N -1.034 114.417 115.700 -0.415 0.000 2.583 109 S HA 0.273 4.744 4.470 0.001 0.000 0.239 109 S C 1.057 175.656 174.600 -0.002 0.000 0.966 109 S CA -0.240 57.893 58.200 -0.112 0.000 0.973 109 S CB 0.764 63.916 63.200 -0.081 0.000 0.794 109 S HN 0.232 nan 8.310 nan 0.000 0.463 110 S N 3.209 118.903 115.700 -0.010 0.000 2.383 110 S HA 0.051 4.522 4.470 0.001 0.000 0.227 110 S C -0.885 173.756 174.600 0.069 0.000 1.026 110 S CA 1.112 59.335 58.200 0.039 0.000 0.981 110 S CB -1.076 62.149 63.200 0.042 0.000 0.818 110 S HN 0.508 nan 8.310 nan 0.000 0.472 111 P HA -0.038 nan 4.420 nan 0.000 0.216 111 P C 1.170 178.518 177.300 0.080 0.000 1.150 111 P CA 0.931 64.084 63.100 0.088 0.000 0.837 111 P CB -0.063 31.703 31.700 0.110 0.000 0.786 112 I N -0.687 119.937 120.570 0.090 0.000 2.202 112 I HA -0.217 3.954 4.170 0.001 0.000 0.242 112 I C 2.360 178.526 176.117 0.080 0.000 1.091 112 I CA 1.484 62.831 61.300 0.080 0.000 1.368 112 I CB -0.903 37.149 38.000 0.088 0.000 1.058 112 I HN -0.108 nan 8.210 nan 0.000 0.410 113 A N 0.459 123.331 122.820 0.086 0.000 1.933 113 A HA -0.226 4.095 4.320 0.001 0.000 0.218 113 A C 1.937 179.578 177.584 0.095 0.000 1.175 113 A CA 1.958 54.054 52.037 0.099 0.000 0.628 113 A CB -0.578 18.488 19.000 0.111 0.000 0.814 113 A HN 0.365 nan 8.150 nan 0.000 0.444 114 D N -0.834 119.616 120.400 0.082 0.000 2.117 114 D HA -0.161 4.480 4.640 0.001 0.000 0.197 114 D C 2.062 178.402 176.300 0.065 0.000 0.987 114 D CA 1.740 55.783 54.000 0.071 0.000 0.829 114 D CB -0.356 40.480 40.800 0.061 0.000 0.961 114 D HN 0.515 nan 8.370 nan 0.000 0.460 115 Q N 0.677 120.517 119.800 0.066 0.000 2.084 115 Q HA -0.066 4.275 4.340 0.001 0.000 0.202 115 Q C 2.250 178.299 176.000 0.082 0.000 0.978 115 Q CA 0.990 56.830 55.803 0.062 0.000 0.844 115 Q CB -0.441 28.333 28.738 0.059 0.000 0.898 115 Q HN 0.303 nan 8.270 nan 0.000 0.426 116 L N -0.117 121.173 121.223 0.112 0.000 2.131 116 L HA -0.204 4.137 4.340 0.001 0.000 0.210 116 L C 2.300 179.249 176.870 0.131 0.000 1.092 116 L CA 1.461 56.409 54.840 0.181 0.000 0.759 116 L CB -0.390 41.770 42.059 0.168 0.000 0.903 116 L HN 0.187 nan 8.230 nan 0.000 0.435 117 K N -0.383 120.068 120.400 0.086 0.000 2.025 117 K HA -0.100 4.221 4.320 0.001 0.000 0.207 117 K C 2.075 178.681 176.600 0.009 0.000 1.049 117 K CA 1.075 57.392 56.287 0.052 0.000 0.933 117 K CB -0.232 32.302 32.500 0.058 0.000 0.714 117 K HN 0.063 nan 8.250 nan 0.000 0.438 118 V N 2.347 122.269 119.914 0.014 0.000 2.332 118 V HA -0.229 3.892 4.120 0.001 0.000 0.248 118 V C 1.143 177.208 176.094 -0.048 0.000 1.055 118 V CA 1.861 64.157 62.300 -0.007 0.000 1.038 118 V CB -0.436 31.391 31.823 0.007 0.000 0.651 118 V HN 0.282 nan 8.190 nan 0.000 0.450 119 D N 0.403 120.766 120.400 -0.062 0.000 2.371 119 D HA 0.114 4.755 4.640 0.001 0.000 0.234 119 D C 1.636 177.686 176.300 -0.417 0.000 1.049 119 D CA 1.010 54.907 54.000 -0.173 0.000 0.907 119 D CB -0.468 40.286 40.800 -0.076 0.000 0.891 119 D HN 0.549 nan 8.370 nan 0.000 0.531 120 G N 1.242 109.890 108.800 -0.255 0.000 2.273 120 G HA2 -0.306 3.654 3.960 0.001 0.000 0.280 120 G HA3 -0.306 3.654 3.960 0.001 0.000 0.280 120 G C 0.576 175.312 174.900 -0.275 0.000 1.047 120 G CA -0.009 44.954 45.100 -0.228 0.000 0.869 120 G HN 0.450 nan 8.290 nan 0.000 0.502 121 H N -0.564 118.517 119.070 0.019 0.000 2.551 121 H HA 0.119 4.676 4.556 0.001 0.000 0.271 121 H C 2.439 177.782 175.328 0.025 0.000 0.984 121 H CA 0.899 56.959 56.048 0.019 0.000 1.164 121 H CB 0.116 29.890 29.762 0.020 0.000 1.437 121 H HN 0.400 nan 8.280 nan 0.000 0.550 122 T N 1.438 116.053 114.554 0.102 0.000 2.624 122 T HA -0.191 4.159 4.350 0.001 0.000 0.268 122 T C 1.789 176.537 174.700 0.080 0.000 1.041 122 T CA 1.890 64.036 62.100 0.076 0.000 1.159 122 T CB 0.093 68.983 68.868 0.036 0.000 0.863 122 T HN 0.387 nan 8.240 nan 0.000 0.434 123 E N 0.774 121.013 120.200 0.065 0.000 2.072 123 E HA -0.018 4.332 4.350 0.001 0.000 0.191 123 E C 2.111 178.761 176.600 0.084 0.000 0.985 123 E CA 0.619 57.065 56.400 0.076 0.000 0.801 123 E CB -0.379 29.348 29.700 0.044 0.000 0.750 123 E HN 0.314 nan 8.360 nan 0.000 0.452 124 M N 0.438 120.084 119.600 0.077 0.000 2.080 124 M HA -0.163 4.318 4.480 0.001 0.000 0.260 124 M C 1.770 178.100 176.300 0.050 0.000 1.068 124 M CA 1.557 56.894 55.300 0.061 0.000 1.109 124 M CB -0.223 32.432 32.600 0.092 0.000 1.342 124 M HN 0.108 nan 8.290 nan 0.000 0.405 125 I N -0.029 120.585 120.570 0.072 0.000 2.179 125 I HA -0.298 3.873 4.170 0.001 0.000 0.242 125 I C 2.531 178.676 176.117 0.045 0.000 1.088 125 I CA 1.767 63.096 61.300 0.048 0.000 1.357 125 I CB -1.795 36.242 38.000 0.061 0.000 1.051 125 I HN 0.432 nan 8.210 nan 0.000 0.409 126 H N 1.137 120.195 119.070 -0.020 0.000 2.387 126 H HA -0.149 4.408 4.556 0.001 0.000 0.299 126 H C 2.102 177.427 175.328 -0.005 0.000 1.090 126 H CA 1.956 57.985 56.048 -0.031 0.000 1.332 126 H CB 0.041 29.782 29.762 -0.035 0.000 1.386 126 H HN 0.339 nan 8.280 nan 0.000 0.516 127 E N -0.276 119.881 120.200 -0.071 0.000 2.204 127 E HA -0.104 4.246 4.350 0.001 0.000 0.194 127 E C 1.916 178.462 176.600 -0.090 0.000 0.989 127 E CA 0.910 57.230 56.400 -0.134 0.000 0.824 127 E CB 0.184 29.833 29.700 -0.085 0.000 0.756 127 E HN 0.469 nan 8.360 nan 0.000 0.477 128 K N -0.627 119.751 120.400 -0.037 0.000 2.166 128 K HA -0.007 4.314 4.320 0.001 0.000 0.201 128 K C 2.087 178.695 176.600 0.014 0.000 1.052 128 K CA 1.507 57.801 56.287 0.013 0.000 0.969 128 K CB 0.363 32.853 32.500 -0.016 0.000 0.761 128 K HN 0.122 nan 8.250 nan 0.000 0.459 129 T N -3.889 110.636 114.554 -0.048 0.000 2.985 129 T HA 0.202 4.552 4.350 0.001 0.000 0.254 129 T C 1.368 175.986 174.700 -0.137 0.000 1.021 129 T CA 0.502 62.551 62.100 -0.085 0.000 0.957 129 T CB 0.842 69.656 68.868 -0.091 0.000 1.047 129 T HN 0.269 nan 8.240 nan 0.000 0.511 130 G N 1.420 110.092 108.800 -0.213 0.000 2.162 130 G HA2 -0.201 3.760 3.960 0.001 0.000 0.260 130 G HA3 -0.201 3.760 3.960 0.001 0.000 0.260 130 G C -0.070 174.801 174.900 -0.048 0.000 0.976 130 G CA 0.579 45.510 45.100 -0.282 0.000 0.655 130 G HN 0.660 nan 8.290 nan 0.000 0.533 131 L N -0.432 120.765 121.223 -0.044 0.000 2.347 131 L HA 0.864 5.205 4.340 0.001 0.000 0.268 131 L C 0.762 177.639 176.870 0.013 0.000 1.019 131 L CA -1.276 53.490 54.840 -0.124 0.000 0.806 131 L CB 1.724 43.404 42.059 -0.631 0.000 1.339 131 L HN 0.285 nan 8.230 nan 0.000 0.463 132 V N -1.230 118.642 119.914 -0.071 0.000 2.495 132 V HA 0.479 4.599 4.120 0.001 0.000 0.298 132 V C 0.002 176.189 176.094 0.155 0.000 1.031 132 V CA -0.780 61.486 62.300 -0.057 0.000 0.871 132 V CB 1.462 33.079 31.823 -0.344 0.000 0.988 132 V HN 0.518 nan 8.190 nan 0.000 0.432 133 I N 4.889 125.537 120.570 0.130 0.000 2.828 133 I HA 0.210 4.381 4.170 0.001 0.000 0.292 133 I C 0.305 176.571 176.117 0.249 0.000 1.206 133 I CA 1.171 62.591 61.300 0.199 0.000 1.420 133 I CB -0.163 37.921 38.000 0.140 0.000 1.368 133 I HN 0.912 nan 8.210 nan 0.000 0.556 134 D N 4.455 125.048 120.400 0.322 0.000 2.683 134 D HA 0.198 4.839 4.640 0.001 0.000 0.246 134 D C 0.071 176.478 176.300 0.178 0.000 1.238 134 D CA -0.427 53.721 54.000 0.247 0.000 0.759 134 D CB 1.713 42.693 40.800 0.300 0.000 1.349 134 D HN 0.428 nan 8.370 nan 0.000 0.426 135 A N 1.650 124.533 122.820 0.104 0.000 2.178 135 A HA -0.174 4.147 4.320 0.001 0.000 0.218 135 A C 1.579 179.180 177.584 0.029 0.000 1.157 135 A CA 1.088 53.151 52.037 0.045 0.000 0.689 135 A CB -0.679 18.314 19.000 -0.012 0.000 0.787 135 A HN 0.599 nan 8.150 nan 0.000 0.465 136 Y N 0.083 120.257 120.300 -0.210 0.000 2.256 136 Y HA -0.043 4.508 4.550 0.001 0.000 0.288 136 Y C 0.147 175.840 175.900 -0.345 0.000 1.155 136 Y CA -0.121 57.776 58.100 -0.339 0.000 1.203 136 Y CB -0.523 37.641 38.460 -0.493 0.000 0.980 136 Y HN 0.225 nan 8.280 nan 0.000 0.530 137 F N -0.664 119.334 119.950 0.080 0.000 2.380 137 F HA 0.274 4.802 4.527 0.001 0.000 0.321 137 F C 1.893 177.714 175.800 0.035 0.000 1.103 137 F CA -0.113 57.862 58.000 -0.041 0.000 1.067 137 F CB 0.411 39.391 39.000 -0.034 0.000 1.265 137 F HN -0.355 nan 8.300 nan 0.000 0.517 138 S N 0.496 116.353 115.700 0.262 0.000 2.399 138 S HA -0.184 4.287 4.470 0.001 0.000 0.231 138 S C 2.222 176.860 174.600 0.063 0.000 1.022 138 S CA 1.003 59.316 58.200 0.189 0.000 0.983 138 S CB -0.554 62.828 63.200 0.304 0.000 0.803 138 S HN 0.714 nan 8.310 nan 0.000 0.480 139 A N 2.226 125.086 122.820 0.067 0.000 1.869 139 A HA -0.245 4.076 4.320 0.001 0.000 0.218 139 A C 2.495 180.069 177.584 -0.018 0.000 1.203 139 A CA 2.625 54.652 52.037 -0.017 0.000 0.638 139 A CB -1.769 17.253 19.000 0.036 0.000 0.831 139 A HN 0.651 nan 8.150 nan 0.000 0.450 140 T N -2.244 112.339 114.554 0.047 0.000 2.962 140 T HA -0.049 4.302 4.350 0.001 0.000 0.270 140 T C 1.654 176.389 174.700 0.060 0.000 1.088 140 T CA 1.490 63.621 62.100 0.052 0.000 1.127 140 T CB -0.233 68.680 68.868 0.074 0.000 0.883 140 T HN 0.585 nan 8.240 nan 0.000 0.493 141 K N 0.765 121.188 120.400 0.038 0.000 2.103 141 K HA 0.078 4.399 4.320 0.001 0.000 0.204 141 K C 2.327 178.973 176.600 0.076 0.000 1.052 141 K CA 0.928 57.239 56.287 0.040 0.000 0.945 141 K CB -0.346 32.166 32.500 0.020 0.000 0.722 141 K HN 0.197 nan 8.250 nan 0.000 0.443 142 V N 1.424 121.329 119.914 -0.015 0.000 2.343 142 V HA -0.221 3.900 4.120 0.001 0.000 0.247 142 V C 2.338 178.411 176.094 -0.035 0.000 1.051 142 V CA 1.666 63.922 62.300 -0.073 0.000 1.036 142 V CB -0.447 31.192 31.823 -0.306 0.000 0.654 142 V HN 0.214 nan 8.190 nan 0.000 0.451 143 R N -0.541 119.941 120.500 -0.029 0.000 2.081 143 R HA -0.218 4.123 4.340 0.001 0.000 0.235 143 R C 1.954 178.264 176.300 0.016 0.000 1.131 143 R CA 1.976 58.062 56.100 -0.024 0.000 0.960 143 R CB -0.930 29.362 30.300 -0.014 0.000 0.856 143 R HN 0.612 nan 8.270 nan 0.000 0.436 144 W N 0.337 121.580 121.300 -0.095 0.000 2.338 144 W HA -0.176 4.485 4.660 0.001 0.000 0.304 144 W C 1.514 177.978 176.519 -0.092 0.000 1.212 144 W CA 1.797 59.080 57.345 -0.104 0.000 1.264 144 W CB -0.217 29.151 29.460 -0.152 0.000 1.142 144 W HN 0.123 nan 8.180 nan 0.000 0.512 145 L N -0.122 121.236 121.223 0.225 0.000 2.027 145 L HA -0.232 4.109 4.340 0.001 0.000 0.206 145 L C 2.468 179.284 176.870 -0.091 0.000 1.074 145 L CA 1.194 56.099 54.840 0.108 0.000 0.745 145 L CB -1.030 41.120 42.059 0.152 0.000 0.898 145 L HN 0.012 nan 8.230 nan 0.000 0.433 146 L N -0.608 120.564 121.223 -0.086 0.000 2.191 146 L HA -0.197 4.144 4.340 0.001 0.000 0.212 146 L C 1.937 178.713 176.870 -0.156 0.000 1.103 146 L CA 0.792 55.565 54.840 -0.111 0.000 0.769 146 L CB -0.512 41.486 42.059 -0.101 0.000 0.908 146 L HN 0.274 nan 8.230 nan 0.000 0.438 147 D N -0.293 119.974 120.400 -0.221 0.000 2.162 147 D HA -0.072 4.569 4.640 0.001 0.000 0.205 147 D C 1.557 177.646 176.300 -0.352 0.000 0.964 147 D CA 0.943 54.781 54.000 -0.269 0.000 0.847 147 D CB 0.026 40.643 40.800 -0.305 0.000 0.988 147 D HN 0.243 nan 8.370 nan 0.000 0.480 148 N N 0.112 118.482 118.700 -0.549 0.000 2.203 148 N HA 0.060 4.801 4.740 0.001 0.000 0.207 148 N C -0.289 175.026 175.510 -0.326 0.000 1.130 148 N CA 0.035 52.747 53.050 -0.564 0.000 0.861 148 N CB 1.740 39.543 38.487 -1.140 0.000 1.005 148 N HN 0.125 nan 8.380 nan 0.000 0.507 149 I N 1.602 122.042 120.570 -0.217 0.000 2.382 149 I HA 0.112 4.283 4.170 0.001 0.000 0.286 149 I C 0.533 176.601 176.117 -0.082 0.000 1.002 149 I CA -1.152 60.085 61.300 -0.106 0.000 1.135 149 I CB 1.215 39.182 38.000 -0.055 0.000 1.288 149 I HN 0.006 nan 8.210 nan 0.000 0.448 150 E N 5.559 125.723 120.200 -0.059 0.000 3.131 150 E HA -0.012 4.339 4.350 0.001 0.000 0.258 150 E C 1.270 177.844 176.600 -0.043 0.000 0.901 150 E CA 1.197 57.569 56.400 -0.047 0.000 0.964 150 E CB 0.038 29.721 29.700 -0.028 0.000 0.903 150 E HN 0.892 nan 8.360 nan 0.000 0.537 151 G N 2.945 111.717 108.800 -0.047 0.000 2.337 151 G HA2 -0.312 3.648 3.960 0.001 0.000 0.290 151 G HA3 -0.312 3.648 3.960 0.001 0.000 0.290 151 G C 0.893 175.764 174.900 -0.048 0.000 1.003 151 G CA 0.823 45.897 45.100 -0.044 0.000 0.825 151 G HN 1.005 nan 8.290 nan 0.000 0.509 152 A N -0.970 121.815 122.820 -0.059 0.000 1.874 152 A HA 0.143 4.464 4.320 0.001 0.000 0.214 152 A C 2.187 179.729 177.584 -0.071 0.000 1.189 152 A CA 2.111 54.110 52.037 -0.062 0.000 0.615 152 A CB -0.304 18.656 19.000 -0.065 0.000 0.830 152 A HN 0.726 nan 8.150 nan 0.000 0.443 153 Q N 0.290 120.044 119.800 -0.076 0.000 2.096 153 Q HA -0.216 4.124 4.340 0.001 0.000 0.204 153 Q C 1.916 177.876 176.000 -0.068 0.000 0.982 153 Q CA 2.353 58.110 55.803 -0.078 0.000 0.850 153 Q CB -0.353 28.338 28.738 -0.078 0.000 0.901 153 Q HN 0.744 nan 8.270 nan 0.000 0.422 154 E N -0.359 119.806 120.200 -0.058 0.000 2.110 154 E HA -0.230 4.121 4.350 0.001 0.000 0.193 154 E C 1.733 178.303 176.600 -0.049 0.000 0.988 154 E CA 1.194 57.564 56.400 -0.049 0.000 0.804 154 E CB -0.043 29.632 29.700 -0.041 0.000 0.745 154 E HN 0.289 nan 8.360 nan 0.000 0.458 155 K N -0.231 120.138 120.400 -0.052 0.000 2.217 155 K HA -0.017 4.304 4.320 0.001 0.000 0.202 155 K C 1.841 178.400 176.600 -0.068 0.000 1.051 155 K CA 0.870 57.126 56.287 -0.052 0.000 0.952 155 K CB -0.006 32.465 32.500 -0.048 0.000 0.736 155 K HN 0.139 nan 8.250 nan 0.000 0.453 156 A N 1.193 123.965 122.820 -0.079 0.000 1.898 156 A HA -0.138 4.183 4.320 0.001 0.000 0.216 156 A C 1.449 178.982 177.584 -0.086 0.000 1.181 156 A CA 1.698 53.677 52.037 -0.097 0.000 0.620 156 A CB -0.388 18.549 19.000 -0.104 0.000 0.819 156 A HN 0.314 nan 8.150 nan 0.000 0.442 157 D N 0.052 120.410 120.400 -0.071 0.000 2.378 157 D HA -0.065 4.576 4.640 0.001 0.000 0.222 157 D C 0.762 177.031 176.300 -0.052 0.000 0.980 157 D CA 0.523 54.486 54.000 -0.061 0.000 0.907 157 D CB -0.155 40.613 40.800 -0.052 0.000 0.899 157 D HN 0.374 nan 8.370 nan 0.000 0.527 158 N N -0.374 118.295 118.700 -0.053 0.000 2.205 158 N HA 0.058 4.799 4.740 0.001 0.000 0.201 158 N C 1.030 176.513 175.510 -0.046 0.000 1.128 158 N CA 0.375 53.400 53.050 -0.042 0.000 0.867 158 N CB 1.313 39.779 38.487 -0.036 0.000 0.996 158 N HN 0.123 nan 8.380 nan 0.000 0.503 159 G N 1.616 110.379 108.800 -0.062 0.000 2.160 159 G HA2 -0.276 3.684 3.960 0.001 0.000 0.251 159 G HA3 -0.276 3.684 3.960 0.001 0.000 0.251 159 G C 0.679 175.533 174.900 -0.077 0.000 1.008 159 G CA 0.515 45.574 45.100 -0.069 0.000 0.724 159 G HN 0.457 nan 8.290 nan 0.000 0.514 160 E N -0.980 119.170 120.200 -0.084 0.000 2.307 160 E HA 0.246 4.597 4.350 0.001 0.000 0.195 160 E C 1.138 177.654 176.600 -0.141 0.000 0.975 160 E CA 0.119 56.472 56.400 -0.080 0.000 0.878 160 E CB 0.368 30.038 29.700 -0.051 0.000 0.845 160 E HN 0.539 nan 8.360 nan 0.000 0.488 161 L N 2.187 123.302 121.223 -0.181 0.000 2.307 161 L HA 0.419 4.760 4.340 0.001 0.000 0.282 161 L C -0.224 176.390 176.870 -0.427 0.000 1.051 161 L CA -0.507 54.167 54.840 -0.276 0.000 0.804 161 L CB 1.151 43.090 42.059 -0.200 0.000 1.197 161 L HN -0.023 nan 8.230 nan 0.000 0.431 162 L N 2.362 123.120 121.223 -0.775 0.000 2.322 162 L HA 0.555 4.895 4.340 0.001 0.000 0.269 162 L C -0.730 175.543 176.870 -0.996 0.000 1.012 162 L CA -0.613 53.591 54.840 -1.060 0.000 0.815 162 L CB 2.199 43.136 42.059 -1.870 0.000 1.295 162 L HN 0.396 nan 8.230 nan 0.000 0.438 163 F N 0.437 119.943 119.950 -0.740 0.000 2.538 163 F HA 0.881 5.409 4.527 0.002 0.000 0.325 163 F C -0.158 175.534 175.800 -0.179 0.000 1.066 163 F CA -0.639 57.104 58.000 -0.428 0.000 0.946 163 F CB 2.162 41.003 39.000 -0.266 0.000 1.199 163 F HN 0.375 nan 8.300 nan 0.000 0.473 164 G N 2.077 110.105 108.800 -1.287 0.000 2.556 164 G HA2 0.449 4.410 3.960 0.001 0.000 0.294 164 G HA3 0.449 4.410 3.960 0.001 0.000 0.294 164 G C -1.520 173.076 174.900 -0.506 0.000 1.516 164 G CA -0.689 43.928 45.100 -0.805 0.000 0.824 164 G HN 0.784 nan 8.290 nan 0.000 0.535 165 T N 1.358 115.735 114.554 -0.295 0.000 2.814 165 T HA 0.279 4.630 4.350 0.001 0.000 0.284 165 T C 1.940 176.679 174.700 0.066 0.000 0.998 165 T CA -0.652 61.428 62.100 -0.033 0.000 0.935 165 T CB 0.619 69.507 68.868 0.033 0.000 1.167 165 T HN 0.311 nan 8.240 nan 0.000 0.545 166 I N 1.912 122.553 120.570 0.118 0.000 2.264 166 I HA -0.157 4.014 4.170 0.001 0.000 0.248 166 I C 2.463 178.681 176.117 0.169 0.000 1.111 166 I CA 1.501 62.910 61.300 0.183 0.000 1.382 166 I CB -1.283 36.832 38.000 0.191 0.000 1.060 166 I HN 0.747 nan 8.210 nan 0.000 0.418 167 D N 0.368 120.821 120.400 0.088 0.000 2.123 167 D HA -0.168 4.472 4.640 0.001 0.000 0.196 167 D C 1.930 178.245 176.300 0.024 0.000 0.992 167 D CA 1.515 55.533 54.000 0.030 0.000 0.833 167 D CB -0.497 40.282 40.800 -0.035 0.000 0.954 167 D HN 0.199 nan 8.370 nan 0.000 0.455 168 S N -0.321 115.413 115.700 0.056 0.000 2.383 168 S HA -0.091 4.380 4.470 0.001 0.000 0.227 168 S C 1.466 176.220 174.600 0.256 0.000 1.026 168 S CA 0.745 59.025 58.200 0.133 0.000 0.981 168 S CB -0.597 62.681 63.200 0.131 0.000 0.818 168 S HN 0.522 nan 8.310 nan 0.000 0.472 169 W N 2.165 123.430 121.300 -0.059 0.000 2.355 169 W HA -0.140 4.522 4.660 0.003 0.000 0.309 169 W C 1.457 177.832 176.519 -0.240 0.000 1.206 169 W CA 0.941 58.080 57.345 -0.343 0.000 1.284 169 W CB -0.303 28.971 29.460 -0.310 0.000 1.145 169 W HN 0.254 nan 8.180 nan 0.000 0.502 170 L N 0.313 121.454 121.223 -0.137 0.000 2.017 170 L HA -0.254 4.087 4.340 0.001 0.000 0.208 170 L C 2.405 179.124 176.870 -0.251 0.000 1.073 170 L CA 1.205 55.901 54.840 -0.241 0.000 0.745 170 L CB -1.413 40.659 42.059 0.022 0.000 0.894 170 L HN -0.174 nan 8.230 nan 0.000 0.432 171 V N -1.387 118.461 119.914 -0.109 0.000 2.490 171 V HA -0.282 3.839 4.120 0.001 0.000 0.250 171 V C 2.066 178.096 176.094 -0.107 0.000 1.061 171 V CA 1.662 63.905 62.300 -0.095 0.000 1.064 171 V CB -0.547 31.235 31.823 -0.068 0.000 0.670 171 V HN 0.562 nan 8.190 nan 0.000 0.461 172 W N 1.003 122.139 121.300 -0.274 0.000 2.358 172 W HA -0.117 4.545 4.660 0.003 0.000 0.303 172 W C 2.460 178.657 176.519 -0.538 0.000 1.208 172 W CA 1.450 58.630 57.345 -0.275 0.000 1.274 172 W CB -0.000 29.351 29.460 -0.181 0.000 1.138 172 W HN 0.020 nan 8.180 nan 0.000 0.515 173 K N 0.115 120.080 120.400 -0.725 0.000 2.025 173 K HA -0.091 4.230 4.320 0.001 0.000 0.207 173 K C 2.057 178.164 176.600 -0.821 0.000 1.049 173 K CA 1.421 57.003 56.287 -1.175 0.000 0.933 173 K CB -1.298 29.853 32.500 -2.248 0.000 0.714 173 K HN 0.300 nan 8.250 nan 0.000 0.438 174 L N 1.311 122.211 121.223 -0.539 0.000 2.127 174 L HA -0.151 4.190 4.340 0.001 0.000 0.211 174 L C 2.063 178.757 176.870 -0.293 0.000 1.089 174 L CA 1.701 56.410 54.840 -0.219 0.000 0.757 174 L CB -0.680 41.329 42.059 -0.083 0.000 0.899 174 L HN 0.310 nan 8.230 nan 0.000 0.434 175 T N -5.468 108.861 114.554 -0.374 0.000 3.105 175 T HA 0.086 4.437 4.350 0.001 0.000 0.253 175 T C 0.494 174.913 174.700 -0.468 0.000 1.047 175 T CA -0.007 61.853 62.100 -0.400 0.000 0.944 175 T CB -0.106 68.557 68.868 -0.341 0.000 1.016 175 T HN 0.233 nan 8.240 nan 0.000 0.544 176 D N 1.351 121.431 120.400 -0.533 0.000 2.737 176 D HA -0.100 4.541 4.640 0.001 0.000 0.238 176 D C 1.172 177.045 176.300 -0.711 0.000 1.157 176 D CA 1.356 55.040 54.000 -0.526 0.000 0.694 176 D CB -1.522 39.132 40.800 -0.243 0.000 1.021 176 D HN 0.907 nan 8.370 nan 0.000 0.420 177 G N 0.422 108.434 108.800 -1.313 0.000 2.168 177 G HA2 -0.429 3.532 3.960 0.001 0.000 0.257 177 G HA3 -0.429 3.532 3.960 0.001 0.000 0.257 177 G C 0.688 175.204 174.900 -0.641 0.000 0.997 177 G CA 0.974 45.104 45.100 -1.617 0.000 0.708 177 G HN 0.648 nan 8.290 nan 0.000 0.520 178 Q N -1.124 118.401 119.800 -0.459 0.000 2.339 178 Q HA 0.406 4.746 4.340 0.001 0.000 0.205 178 Q C 0.520 176.489 176.000 -0.053 0.000 0.925 178 Q CA 0.929 56.617 55.803 -0.191 0.000 0.898 178 Q CB 0.456 29.077 28.738 -0.196 0.000 1.013 178 Q HN 0.481 nan 8.270 nan 0.000 0.504 179 V N 1.336 121.228 119.914 -0.038 0.000 2.531 179 V HA 0.240 4.361 4.120 0.001 0.000 0.301 179 V C -1.394 174.924 176.094 0.372 0.000 1.034 179 V CA -0.868 61.505 62.300 0.122 0.000 0.865 179 V CB 1.405 33.254 31.823 0.044 0.000 0.995 179 V HN 0.215 nan 8.190 nan 0.000 0.424 180 H N 3.647 122.885 119.070 0.280 0.000 2.736 180 H HA 0.764 5.321 4.556 0.001 0.000 0.271 180 H C -1.036 174.392 175.328 0.167 0.000 1.184 180 H CA -0.179 56.064 56.048 0.325 0.000 1.378 180 H CB 1.241 31.177 29.762 0.291 0.000 1.428 180 H HN 0.478 nan 8.280 nan 0.000 0.500 181 V N 3.625 123.512 119.914 -0.045 0.000 3.167 181 V HA 0.795 4.916 4.120 0.001 0.000 0.310 181 V C -0.884 175.094 176.094 -0.193 0.000 1.207 181 V CA -0.111 62.112 62.300 -0.129 0.000 1.059 181 V CB 2.470 34.258 31.823 -0.058 0.000 1.079 181 V HN 0.783 nan 8.190 nan 0.000 0.446 182 T N 0.923 115.355 114.554 -0.203 0.000 2.769 182 T HA 0.431 4.782 4.350 0.001 0.000 0.306 182 T C -2.177 172.356 174.700 -0.278 0.000 1.400 182 T CA -0.245 61.723 62.100 -0.220 0.000 1.007 182 T CB 1.691 70.488 68.868 -0.118 0.000 1.392 182 T HN 1.042 nan 8.240 nan 0.000 0.500 183 D N 0.874 121.112 120.400 -0.270 0.000 2.392 183 D HA 0.267 4.907 4.640 0.001 0.000 0.246 183 D C 0.667 176.798 176.300 -0.282 0.000 1.013 183 D CA -0.539 53.291 54.000 -0.282 0.000 0.993 183 D CB 0.752 41.453 40.800 -0.163 0.000 1.219 183 D HN 0.478 nan 8.370 nan 0.000 0.538 184 Y N 0.797 120.971 120.300 -0.210 0.000 2.069 184 Y HA -0.316 4.235 4.550 0.002 0.000 0.278 184 Y C 3.004 178.754 175.900 -0.250 0.000 1.175 184 Y CA 2.176 60.105 58.100 -0.285 0.000 1.134 184 Y CB -1.134 37.228 38.460 -0.162 0.000 0.965 184 Y HN 0.563 nan 8.280 nan 0.000 0.498 185 S N -0.046 115.674 115.700 0.035 0.000 2.353 185 S HA -0.231 4.239 4.470 0.001 0.000 0.222 185 S C 1.931 176.509 174.600 -0.036 0.000 1.035 185 S CA 1.468 59.670 58.200 0.004 0.000 1.025 185 S CB -0.824 62.399 63.200 0.037 0.000 0.902 185 S HN 0.474 nan 8.310 nan 0.000 0.440 186 N N 2.543 121.211 118.700 -0.053 0.000 2.104 186 N HA -0.048 4.693 4.740 0.001 0.000 0.190 186 N C 2.055 177.540 175.510 -0.042 0.000 1.024 186 N CA 1.570 54.599 53.050 -0.036 0.000 0.853 186 N CB -0.830 37.632 38.487 -0.042 0.000 1.008 186 N HN 0.645 nan 8.380 nan 0.000 0.424 187 A N 1.005 123.715 122.820 -0.183 0.000 1.902 187 A HA -0.146 4.175 4.320 0.001 0.000 0.217 187 A C 2.384 179.844 177.584 -0.206 0.000 1.181 187 A CA 2.086 53.922 52.037 -0.334 0.000 0.623 187 A CB -0.792 17.576 19.000 -1.054 0.000 0.818 187 A HN 0.482 nan 8.150 nan 0.000 0.443 188 S N -0.693 114.910 115.700 -0.162 0.000 2.469 188 S HA -0.101 4.370 4.470 0.001 0.000 0.238 188 S C 1.580 176.180 174.600 -0.000 0.000 0.998 188 S CA 0.914 59.126 58.200 0.021 0.000 0.957 188 S CB -0.280 62.937 63.200 0.027 0.000 0.764 188 S HN 0.490 nan 8.310 nan 0.000 0.514 189 R N 1.488 121.996 120.500 0.012 0.000 2.317 189 R HA 0.149 4.490 4.340 0.001 0.000 0.208 189 R C 2.045 178.408 176.300 0.106 0.000 0.914 189 R CA 1.038 57.156 56.100 0.030 0.000 1.060 189 R CB -1.181 29.162 30.300 0.071 0.000 1.015 189 R HN 0.815 nan 8.270 nan 0.000 0.498 190 T N -2.561 112.083 114.554 0.151 0.000 2.942 190 T HA -0.003 4.348 4.350 0.001 0.000 0.265 190 T C 1.391 176.185 174.700 0.157 0.000 1.062 190 T CA 0.776 63.021 62.100 0.242 0.000 1.139 190 T CB 0.028 69.143 68.868 0.412 0.000 0.883 190 T HN 0.259 nan 8.240 nan 0.000 0.468 191 M N -0.694 118.939 119.600 0.055 0.000 3.011 191 M HA -0.138 4.343 4.480 0.001 0.000 0.216 191 M C -0.382 175.963 176.300 0.075 0.000 0.564 191 M CA 0.492 55.781 55.300 -0.020 0.000 0.816 191 M CB -1.609 30.978 32.600 -0.021 0.000 2.914 191 M HN 0.380 nan 8.290 nan 0.000 0.348 192 L N -0.502 120.840 121.223 0.199 0.000 3.086 192 L HA 0.331 4.672 4.340 0.001 0.000 0.274 192 L C -0.156 176.986 176.870 0.453 0.000 1.184 192 L CA -0.286 54.714 54.840 0.266 0.000 1.002 192 L CB 0.749 42.962 42.059 0.256 0.000 1.383 192 L HN 0.395 nan 8.230 nan 0.000 0.582 193 Y N 1.354 121.757 120.300 0.172 0.000 2.328 193 Y HA 0.379 4.930 4.550 0.002 0.000 0.336 193 Y C 0.097 175.971 175.900 -0.043 0.000 0.960 193 Y CA -1.146 56.958 58.100 0.007 0.000 1.134 193 Y CB 1.043 39.371 38.460 -0.220 0.000 1.166 193 Y HN -0.076 nan 8.280 nan 0.000 0.464 194 N N 6.833 125.255 118.700 -0.465 0.000 2.405 194 N HA 0.033 4.773 4.740 0.001 0.000 0.260 194 N C 0.891 176.091 175.510 -0.516 0.000 1.152 194 N CA 0.151 52.996 53.050 -0.342 0.000 0.948 194 N CB 0.523 38.857 38.487 -0.256 0.000 1.111 194 N HN 0.928 nan 8.380 nan 0.000 0.485 195 I N 1.026 121.437 120.570 -0.265 0.000 3.428 195 I HA 0.018 4.189 4.170 0.001 0.000 0.286 195 I C 0.397 176.346 176.117 -0.279 0.000 1.287 195 I CA 0.458 61.633 61.300 -0.209 0.000 1.396 195 I CB -0.168 37.761 38.000 -0.119 0.000 1.062 195 I HN 0.389 nan 8.210 nan 0.000 0.471 196 H N 1.605 120.604 119.070 -0.119 0.000 2.388 196 H HA 0.201 4.757 4.556 0.002 0.000 0.304 196 H C 1.659 176.915 175.328 -0.120 0.000 1.049 196 H CA 0.884 56.864 56.048 -0.113 0.000 1.371 196 H CB 0.160 29.832 29.762 -0.149 0.000 1.436 196 H HN 0.195 nan 8.280 nan 0.000 0.544 197 K N 0.834 121.207 120.400 -0.046 0.000 2.400 197 K HA 0.151 4.472 4.320 0.001 0.000 0.194 197 K C -0.328 176.181 176.600 -0.152 0.000 1.033 197 K CA 0.138 56.373 56.287 -0.086 0.000 1.021 197 K CB 0.671 33.118 32.500 -0.089 0.000 0.808 197 K HN 0.116 nan 8.250 nan 0.000 0.505 198 L N 2.245 123.303 121.223 -0.274 0.000 3.573 198 L HA -0.271 4.070 4.340 0.001 0.000 0.578 198 L C -0.637 176.012 176.870 -0.369 0.000 1.299 198 L CA 0.532 55.182 54.840 -0.317 0.000 0.914 198 L CB -1.803 40.216 42.059 -0.066 0.000 1.563 198 L HN 0.449 nan 8.230 nan 0.000 0.860 199 E N -1.131 118.605 120.200 -0.773 0.000 2.401 199 E HA 0.370 4.721 4.350 0.001 0.000 0.280 199 E C -1.052 175.284 176.600 -0.441 0.000 1.039 199 E CA -1.155 54.994 56.400 -0.418 0.000 0.814 199 E CB 0.678 30.294 29.700 -0.140 0.000 1.275 199 E HN 0.167 nan 8.360 nan 0.000 0.448 200 W N 1.986 123.302 121.300 0.026 0.000 2.251 200 W HA 0.104 4.765 4.660 0.001 0.000 0.327 200 W C 0.526 177.032 176.519 -0.023 0.000 1.361 200 W CA 0.029 57.427 57.345 0.089 0.000 1.234 200 W CB 0.559 30.095 29.460 0.126 0.000 1.212 200 W HN 0.379 nan 8.180 nan 0.000 0.557 201 D N 3.445 123.975 120.400 0.217 0.000 2.365 201 D HA -0.049 4.592 4.640 0.001 0.000 0.237 201 D C 1.064 177.407 176.300 0.072 0.000 1.190 201 D CA -0.105 53.945 54.000 0.084 0.000 0.867 201 D CB 1.318 42.136 40.800 0.029 0.000 1.050 201 D HN 0.426 nan 8.370 nan 0.000 0.491 202 Q N 3.530 123.362 119.800 0.052 0.000 2.152 202 Q HA -0.231 4.110 4.340 0.001 0.000 0.206 202 Q C 1.646 177.643 176.000 -0.006 0.000 0.985 202 Q CA 1.775 57.591 55.803 0.023 0.000 0.863 202 Q CB -0.050 28.699 28.738 0.019 0.000 0.904 202 Q HN 0.717 nan 8.270 nan 0.000 0.422 203 E N -0.567 119.626 120.200 -0.011 0.000 2.058 203 E HA -0.187 4.164 4.350 0.001 0.000 0.194 203 E C 1.862 178.427 176.600 -0.058 0.000 0.997 203 E CA 1.500 57.881 56.400 -0.032 0.000 0.801 203 E CB -0.214 29.469 29.700 -0.028 0.000 0.746 203 E HN 0.547 nan 8.360 nan 0.000 0.450 204 I N 0.862 121.403 120.570 -0.049 0.000 2.394 204 I HA -0.249 3.922 4.170 0.001 0.000 0.251 204 I C 2.349 178.423 176.117 -0.072 0.000 1.136 204 I CA 0.615 61.872 61.300 -0.072 0.000 1.425 204 I CB -0.177 37.803 38.000 -0.033 0.000 1.079 204 I HN 0.200 nan 8.210 nan 0.000 0.425 205 L N 0.232 121.425 121.223 -0.050 0.000 2.072 205 L HA -0.183 4.158 4.340 0.001 0.000 0.205 205 L C 2.191 179.016 176.870 -0.076 0.000 1.079 205 L CA 1.188 55.985 54.840 -0.072 0.000 0.752 205 L CB -0.603 41.417 42.059 -0.064 0.000 0.906 205 L HN 0.254 nan 8.230 nan 0.000 0.436 206 D N 0.131 120.494 120.400 -0.062 0.000 2.097 206 D HA -0.185 4.456 4.640 0.001 0.000 0.195 206 D C 2.111 178.370 176.300 -0.068 0.000 0.989 206 D CA 1.039 55.005 54.000 -0.057 0.000 0.827 206 D CB -0.147 40.627 40.800 -0.043 0.000 0.966 206 D HN 0.121 nan 8.370 nan 0.000 0.456 207 L N 0.573 121.741 121.223 -0.091 0.000 2.043 207 L HA -0.151 4.190 4.340 0.001 0.000 0.212 207 L C 1.911 178.723 176.870 -0.098 0.000 1.075 207 L CA 1.574 56.339 54.840 -0.124 0.000 0.752 207 L CB -0.282 41.639 42.059 -0.230 0.000 0.891 207 L HN 0.013 nan 8.230 nan 0.000 0.432 208 L N -0.809 120.359 121.223 -0.093 0.000 2.640 208 L HA 0.160 4.500 4.340 0.001 0.000 0.230 208 L C 0.616 177.437 176.870 -0.080 0.000 1.123 208 L CA 0.141 54.933 54.840 -0.079 0.000 0.900 208 L CB -0.236 41.771 42.059 -0.085 0.000 1.146 208 L HN 0.442 nan 8.230 nan 0.000 0.484 209 N N 1.563 120.216 118.700 -0.078 0.000 2.727 209 N HA -0.232 4.509 4.740 0.001 0.000 0.251 209 N C -0.774 174.679 175.510 -0.095 0.000 1.040 209 N CA 0.502 53.506 53.050 -0.076 0.000 0.712 209 N CB -1.218 37.230 38.487 -0.065 0.000 0.912 209 N HN 0.352 nan 8.380 nan 0.000 0.545 210 I N 0.753 121.255 120.570 -0.114 0.000 2.355 210 I HA 0.368 4.539 4.170 0.001 0.000 0.288 210 I C -1.946 174.086 176.117 -0.142 0.000 0.999 210 I CA -2.079 59.132 61.300 -0.148 0.000 1.163 210 I CB 1.667 39.546 38.000 -0.202 0.000 1.316 210 I HN 0.030 nan 8.210 nan 0.000 0.454 211 P HA 0.037 nan 4.420 nan 0.000 0.268 211 P C 0.648 177.863 177.300 -0.142 0.000 1.204 211 P CA -0.117 62.914 63.100 -0.115 0.000 0.768 211 P CB 0.708 32.347 31.700 -0.103 0.000 0.842 212 S N 0.440 116.069 115.700 -0.120 0.000 2.555 212 S HA -0.110 4.361 4.470 0.001 0.000 0.230 212 S C 1.558 176.080 174.600 -0.129 0.000 0.978 212 S CA 0.864 58.977 58.200 -0.145 0.000 0.934 212 S CB -1.007 62.146 63.200 -0.079 0.000 0.766 212 S HN 0.490 nan 8.310 nan 0.000 0.533 213 S N 1.186 116.826 115.700 -0.100 0.000 2.555 213 S HA 0.152 4.623 4.470 0.001 0.000 0.230 213 S C 1.591 176.128 174.600 -0.104 0.000 0.978 213 S CA 0.314 58.467 58.200 -0.078 0.000 0.934 213 S CB -0.640 62.520 63.200 -0.067 0.000 0.766 213 S HN 0.545 nan 8.310 nan 0.000 0.533 214 M N 0.762 120.276 119.600 -0.143 0.000 2.476 214 M HA 0.304 4.785 4.480 0.001 0.000 0.262 214 M C 0.017 176.275 176.300 -0.071 0.000 1.111 214 M CA 0.359 55.566 55.300 -0.156 0.000 1.127 214 M CB -0.136 32.367 32.600 -0.161 0.000 1.376 214 M HN 0.249 nan 8.290 nan 0.000 0.465 215 L N 2.893 124.017 121.223 -0.166 0.000 2.380 215 L HA 0.246 4.587 4.340 0.001 0.000 0.273 215 L C -1.972 174.853 176.870 -0.076 0.000 1.138 215 L CA -1.827 52.840 54.840 -0.287 0.000 0.832 215 L CB -0.228 41.260 42.059 -0.951 0.000 1.124 215 L HN -0.088 nan 8.230 nan 0.000 0.454 216 P HA 0.173 nan 4.420 nan 0.000 0.278 216 P C -0.871 176.511 177.300 0.138 0.000 1.266 216 P CA -0.672 62.230 63.100 -0.331 0.000 0.807 216 P CB 0.816 31.977 31.700 -0.898 0.000 1.094 217 E N -0.330 119.916 120.200 0.075 0.000 2.373 217 E HA 0.240 4.591 4.350 0.001 0.000 0.267 217 E C -0.448 176.186 176.600 0.056 0.000 1.032 217 E CA -0.489 55.992 56.400 0.135 0.000 0.889 217 E CB 0.582 30.333 29.700 0.086 0.000 0.984 217 E HN 0.146 nan 8.360 nan 0.000 0.425 218 V N 3.590 123.505 119.914 0.001 0.000 2.427 218 V HA 0.322 4.443 4.120 0.001 0.000 0.286 218 V C 0.098 176.023 176.094 -0.282 0.000 1.034 218 V CA -0.346 61.820 62.300 -0.222 0.000 0.893 218 V CB 1.324 32.897 31.823 -0.418 0.000 0.982 218 V HN 0.631 nan 8.190 nan 0.000 0.452 219 K N 1.508 121.658 120.400 -0.417 0.000 2.346 219 K HA 0.611 4.932 4.320 0.001 0.000 0.259 219 K C -0.140 176.008 176.600 -0.754 0.000 1.061 219 K CA -0.615 55.418 56.287 -0.423 0.000 0.893 219 K CB 1.929 34.414 32.500 -0.025 0.000 1.436 219 K HN 0.755 nan 8.250 nan 0.000 0.462 220 S N -0.367 115.078 115.700 -0.425 0.000 2.617 220 S HA 0.113 4.583 4.470 0.001 0.000 0.259 220 S C 0.429 175.041 174.600 0.020 0.000 1.301 220 S CA -0.300 57.791 58.200 -0.183 0.000 0.984 220 S CB 0.368 63.605 63.200 0.061 0.000 0.954 220 S HN 0.573 nan 8.310 nan 0.000 0.572 221 N N 0.167 118.927 118.700 0.100 0.000 2.467 221 N HA 0.037 4.778 4.740 0.001 0.000 0.184 221 N C -0.204 175.344 175.510 0.063 0.000 1.106 221 N CA 0.339 53.447 53.050 0.096 0.000 0.892 221 N CB 0.369 38.875 38.487 0.031 0.000 0.969 221 N HN 0.523 nan 8.380 nan 0.000 0.454 222 S N 0.837 116.541 115.700 0.006 0.000 2.383 222 S HA 0.214 4.685 4.470 0.001 0.000 0.196 222 S C -1.309 173.207 174.600 -0.140 0.000 1.364 222 S CA -0.651 57.516 58.200 -0.056 0.000 1.212 222 S CB 0.034 63.214 63.200 -0.033 0.000 1.171 222 S HN 0.356 nan 8.310 nan 0.000 0.456 223 E N 0.779 120.765 120.200 -0.357 0.000 2.396 223 E HA 0.346 4.697 4.350 0.001 0.000 0.280 223 E C -1.554 174.634 176.600 -0.687 0.000 1.065 223 E CA -1.167 54.991 56.400 -0.403 0.000 0.831 223 E CB 0.662 30.168 29.700 -0.323 0.000 1.272 223 E HN 0.136 nan 8.360 nan 0.000 0.443 224 V N 3.191 122.867 119.914 -0.397 0.000 2.421 224 V HA -0.002 4.118 4.120 0.001 0.000 0.271 224 V C 0.039 175.944 176.094 -0.314 0.000 1.031 224 V CA 0.294 62.407 62.300 -0.311 0.000 1.032 224 V CB -0.905 30.842 31.823 -0.126 0.000 1.009 224 V HN 0.662 nan 8.190 nan 0.000 0.477 225 Y N 3.670 123.960 120.300 -0.017 0.000 2.420 225 Y HA 0.403 4.954 4.550 0.002 0.000 0.292 225 Y C 1.577 177.469 175.900 -0.013 0.000 1.119 225 Y CA 0.796 58.884 58.100 -0.021 0.000 1.229 225 Y CB 0.259 38.699 38.460 -0.032 0.000 1.026 225 Y HN 0.772 nan 8.280 nan 0.000 0.554 226 G N -1.230 107.642 108.800 0.119 0.000 2.356 226 G HA2 0.265 4.226 3.960 0.001 0.000 0.281 226 G HA3 0.265 4.226 3.960 0.001 0.000 0.281 226 G C -1.932 173.020 174.900 0.087 0.000 1.246 226 G CA -0.731 44.418 45.100 0.081 0.000 0.889 226 G HN 0.198 nan 8.290 nan 0.000 0.486 227 H N -0.786 118.250 119.070 -0.057 0.000 2.806 227 H HA 0.691 5.249 4.556 0.003 0.000 0.367 227 H C 0.154 175.404 175.328 -0.130 0.000 1.136 227 H CA -0.125 55.867 56.048 -0.094 0.000 1.178 227 H CB 0.910 30.623 29.762 -0.082 0.000 1.718 227 H HN 0.840 nan 8.280 nan 0.000 0.540 228 T N 0.942 115.395 114.554 -0.168 0.000 2.937 228 T HA 0.112 4.463 4.350 0.001 0.000 0.316 228 T C 0.677 175.246 174.700 -0.218 0.000 1.079 228 T CA -0.797 61.170 62.100 -0.223 0.000 1.131 228 T CB 0.668 69.388 68.868 -0.247 0.000 1.000 228 T HN 0.404 nan 8.240 nan 0.000 0.549 229 R N 2.140 122.443 120.500 -0.329 0.000 2.491 229 R HA 0.140 4.480 4.340 0.001 0.000 0.283 229 R C 2.027 178.101 176.300 -0.376 0.000 1.072 229 R CA 0.454 56.279 56.100 -0.459 0.000 1.048 229 R CB 0.796 30.587 30.300 -0.849 0.000 0.983 229 R HN 1.059 nan 8.270 nan 0.000 0.450 230 S N 3.512 119.072 115.700 -0.234 0.000 2.368 230 S HA -0.273 4.197 4.470 0.001 0.000 0.226 230 S C 1.744 176.289 174.600 -0.091 0.000 1.044 230 S CA 1.930 60.086 58.200 -0.072 0.000 1.062 230 S CB -0.800 62.419 63.200 0.032 0.000 0.931 230 S HN 0.775 nan 8.310 nan 0.000 0.440 231 Y N 0.501 120.793 120.300 -0.014 0.000 2.619 231 Y HA 0.443 4.994 4.550 0.001 0.000 0.308 231 Y C 1.978 177.828 175.900 -0.083 0.000 1.192 231 Y CA -0.216 57.855 58.100 -0.048 0.000 1.319 231 Y CB -0.291 38.145 38.460 -0.039 0.000 1.030 231 Y HN 0.046 nan 8.280 nan 0.000 0.517 232 R N -0.625 119.711 120.500 -0.275 0.000 2.404 232 R HA 0.213 4.553 4.340 0.001 0.000 0.237 232 R C -0.725 175.508 176.300 -0.111 0.000 0.907 232 R CA 0.052 56.063 56.100 -0.149 0.000 1.063 232 R CB 0.100 30.285 30.300 -0.192 0.000 1.134 232 R HN 0.460 nan 8.270 nan 0.000 0.529 233 F N 0.325 120.052 119.950 -0.372 0.000 2.505 233 F HA 0.156 4.683 4.527 -0.001 0.000 0.383 233 F C -0.861 174.795 175.800 -0.239 0.000 1.509 233 F CA -0.611 57.163 58.000 -0.377 0.000 1.101 233 F CB 0.210 39.183 39.000 -0.045 0.000 1.367 233 F HN 0.025 nan 8.300 nan 0.000 0.523 234 Y N -0.551 119.728 120.300 -0.035 0.000 3.125 234 Y HA -0.190 4.360 4.550 0.000 0.000 0.200 234 Y C 1.413 177.304 175.900 -0.014 0.000 1.373 234 Y CA 0.563 58.615 58.100 -0.080 0.000 1.180 234 Y CB -1.704 36.608 38.460 -0.246 0.000 1.381 234 Y HN 0.606 nan 8.280 nan 0.000 0.501 235 G N -1.278 107.575 108.800 0.088 0.000 2.347 235 G HA2 -0.327 3.633 3.960 0.001 0.000 0.247 235 G HA3 -0.327 3.633 3.960 0.001 0.000 0.247 235 G C 0.329 175.285 174.900 0.093 0.000 1.037 235 G CA 0.382 45.534 45.100 0.086 0.000 0.622 235 G HN 1.388 nan 8.290 nan 0.000 0.521 236 S N 0.353 116.139 115.700 0.144 0.000 2.585 236 S HA 0.649 5.120 4.470 0.001 0.000 0.277 236 S C -0.322 174.357 174.600 0.133 0.000 1.241 236 S CA -0.488 57.798 58.200 0.144 0.000 1.041 236 S CB 2.043 65.356 63.200 0.188 0.000 0.987 236 S HN 0.416 nan 8.310 nan 0.000 0.512 237 E N 1.657 121.903 120.200 0.077 0.000 2.103 237 E HA 0.348 4.699 4.350 0.001 0.000 0.254 237 E C -0.999 175.613 176.600 0.020 0.000 0.940 237 E CA -0.532 55.909 56.400 0.067 0.000 0.771 237 E CB 1.097 30.860 29.700 0.105 0.000 1.153 237 E HN 0.381 nan 8.360 nan 0.000 0.428 238 V N 3.978 123.846 119.914 -0.076 0.000 2.607 238 V HA 0.195 4.316 4.120 0.001 0.000 0.289 238 V C -2.119 173.907 176.094 -0.113 0.000 1.053 238 V CA -2.083 60.136 62.300 -0.134 0.000 0.996 238 V CB 1.133 32.761 31.823 -0.324 0.000 0.995 238 V HN 0.469 nan 8.190 nan 0.000 0.476 239 P HA 0.297 nan 4.420 nan 0.000 0.276 239 P C -0.546 176.729 177.300 -0.041 0.000 1.253 239 P CA -0.021 63.061 63.100 -0.030 0.000 0.766 239 P CB 0.235 31.917 31.700 -0.031 0.000 0.845 240 I N 2.797 123.365 120.570 -0.004 0.000 2.322 240 I HA 0.319 4.490 4.170 0.001 0.000 0.292 240 I C 1.036 177.231 176.117 0.129 0.000 1.060 240 I CA 0.079 61.416 61.300 0.061 0.000 1.309 240 I CB 0.747 38.798 38.000 0.084 0.000 1.415 240 I HN 0.360 nan 8.210 nan 0.000 0.492 241 A N 5.158 128.030 122.820 0.087 0.000 2.609 241 A HA 0.652 4.973 4.320 0.001 0.000 0.286 241 A C 0.563 178.175 177.584 0.046 0.000 1.138 241 A CA -0.146 51.865 52.037 -0.043 0.000 0.960 241 A CB 0.361 19.321 19.000 -0.067 0.000 1.208 241 A HN 0.737 nan 8.150 nan 0.000 0.541 242 G N 0.006 108.985 108.800 0.298 0.000 2.734 242 G HA2 0.560 4.521 3.960 0.001 0.000 0.293 242 G HA3 0.560 4.521 3.960 0.001 0.000 0.293 242 G C -1.150 173.900 174.900 0.249 0.000 1.422 242 G CA -0.352 44.903 45.100 0.258 0.000 1.177 242 G HN 0.071 nan 8.290 nan 0.000 0.565 243 M N 0.957 120.669 119.600 0.186 0.000 2.433 243 M HA 0.752 5.233 4.480 0.001 0.000 0.290 243 M C -0.580 175.714 176.300 -0.009 0.000 1.173 243 M CA -0.688 54.611 55.300 -0.002 0.000 0.905 243 M CB 2.731 35.179 32.600 -0.252 0.000 1.692 243 M HN 1.004 nan 8.290 nan 0.000 0.462 244 A N 1.374 124.183 122.820 -0.018 0.000 2.590 244 A HA 0.696 5.017 4.320 0.001 0.000 0.296 244 A C -0.545 177.037 177.584 -0.003 0.000 1.050 244 A CA -0.514 51.517 52.037 -0.009 0.000 0.697 244 A CB 0.838 19.830 19.000 -0.013 0.000 1.277 244 A HN 0.959 nan 8.150 nan 0.000 0.411 245 G N 0.657 109.455 108.800 -0.004 0.000 2.491 245 G HA2 0.360 4.321 3.960 0.001 0.000 0.238 245 G HA3 0.360 4.321 3.960 0.001 0.000 0.238 245 G C 0.535 175.423 174.900 -0.019 0.000 1.277 245 G CA 0.560 45.650 45.100 -0.017 0.000 0.851 245 G HN 1.065 nan 8.290 nan 0.000 0.573 246 D N 0.973 121.353 120.400 -0.033 0.000 2.158 246 D HA -0.222 4.419 4.640 0.001 0.000 0.197 246 D C 1.872 178.150 176.300 -0.037 0.000 0.995 246 D CA 1.454 55.440 54.000 -0.024 0.000 0.846 246 D CB -0.014 40.773 40.800 -0.021 0.000 0.941 246 D HN 0.338 nan 8.370 nan 0.000 0.456 247 Q N -0.151 119.592 119.800 -0.096 0.000 2.123 247 Q HA -0.077 4.264 4.340 0.001 0.000 0.199 247 Q C 2.268 178.280 176.000 0.020 0.000 0.966 247 Q CA 1.248 57.012 55.803 -0.064 0.000 0.845 247 Q CB -0.365 28.286 28.738 -0.145 0.000 0.907 247 Q HN 0.485 nan 8.270 nan 0.000 0.439 248 Q N 0.353 120.175 119.800 0.037 0.000 2.083 248 Q HA 0.030 4.371 4.340 0.001 0.000 0.198 248 Q C 2.021 178.092 176.000 0.117 0.000 0.969 248 Q CA 1.474 57.343 55.803 0.110 0.000 0.838 248 Q CB -0.369 28.439 28.738 0.117 0.000 0.900 248 Q HN 0.406 nan 8.270 nan 0.000 0.436 249 A N 0.716 123.574 122.820 0.063 0.000 1.940 249 A HA -0.154 4.166 4.320 0.001 0.000 0.219 249 A C 2.246 179.877 177.584 0.078 0.000 1.176 249 A CA 1.728 53.801 52.037 0.059 0.000 0.631 249 A CB -0.970 18.049 19.000 0.032 0.000 0.814 249 A HN 0.389 nan 8.150 nan 0.000 0.446 250 A N -0.661 122.189 122.820 0.051 0.000 1.933 250 A HA -0.001 4.320 4.320 0.001 0.000 0.218 250 A C 2.108 179.710 177.584 0.029 0.000 1.175 250 A CA 1.648 53.703 52.037 0.030 0.000 0.628 250 A CB -0.550 18.465 19.000 0.025 0.000 0.814 250 A HN 0.660 nan 8.150 nan 0.000 0.444 251 L N -1.834 119.431 121.223 0.071 0.000 2.046 251 L HA -0.072 4.269 4.340 0.001 0.000 0.208 251 L C 2.162 179.041 176.870 0.014 0.000 1.077 251 L CA 2.001 56.881 54.840 0.066 0.000 0.747 251 L CB -0.709 41.448 42.059 0.164 0.000 0.896 251 L HN 0.375 nan 8.230 nan 0.000 0.432 252 F N 0.331 120.224 119.950 -0.095 0.000 2.113 252 F HA -0.020 4.508 4.527 0.001 0.000 0.297 252 F C 2.311 178.049 175.800 -0.104 0.000 1.103 252 F CA 1.630 59.553 58.000 -0.130 0.000 1.248 252 F CB -0.919 38.011 39.000 -0.117 0.000 0.999 252 F HN 0.159 nan 8.300 nan 0.000 0.475 253 G N -1.104 107.716 108.800 0.032 0.000 2.498 253 G HA2 -0.195 3.766 3.960 0.001 0.000 0.219 253 G HA3 -0.195 3.766 3.960 0.001 0.000 0.219 253 G C 1.407 176.221 174.900 -0.143 0.000 1.119 253 G CA 0.411 45.434 45.100 -0.128 0.000 0.766 253 G HN 0.334 nan 8.290 nan 0.000 0.552 254 Q N -0.869 118.827 119.800 -0.173 0.000 2.360 254 Q HA 0.267 4.607 4.340 0.001 0.000 0.202 254 Q C 1.115 176.904 176.000 -0.352 0.000 0.915 254 Q CA -0.205 55.486 55.803 -0.188 0.000 0.943 254 Q CB 0.115 28.774 28.738 -0.133 0.000 1.064 254 Q HN 0.566 nan 8.270 nan 0.000 0.511 255 M N -0.374 118.853 119.600 -0.621 0.000 2.576 255 M HA -0.241 4.240 4.480 0.001 0.000 0.200 255 M C -0.113 175.400 176.300 -1.312 0.000 0.487 255 M CA 0.581 55.075 55.300 -1.344 0.000 0.553 255 M CB -1.331 30.842 32.600 -0.712 0.000 2.042 255 M HN 0.130 nan 8.290 nan 0.000 0.758 256 A N -0.197 122.117 122.820 -0.844 0.000 3.056 256 A HA 0.481 4.802 4.320 0.001 0.000 0.274 256 A C 0.467 177.864 177.584 -0.313 0.000 1.661 256 A CA -0.349 51.433 52.037 -0.424 0.000 1.363 256 A CB -0.657 18.235 19.000 -0.181 0.000 1.139 256 A HN 0.485 nan 8.150 nan 0.000 0.598 257 F N 0.206 120.098 119.950 -0.096 0.000 2.473 257 F HA 0.100 4.628 4.527 0.001 0.000 0.294 257 F C 1.077 176.845 175.800 -0.054 0.000 1.103 257 F CA 0.071 58.023 58.000 -0.080 0.000 1.442 257 F CB -0.086 38.800 39.000 -0.191 0.000 1.097 257 F HN 0.318 nan 8.300 nan 0.000 0.547 258 E N 1.601 121.864 120.200 0.105 0.000 2.343 258 E HA 0.057 4.408 4.350 0.001 0.000 0.269 258 E C 0.017 176.656 176.600 0.065 0.000 1.047 258 E CA -0.453 55.991 56.400 0.073 0.000 0.874 258 E CB 0.935 30.662 29.700 0.045 0.000 1.033 258 E HN 0.117 nan 8.360 nan 0.000 0.409 259 K N 0.403 120.848 120.400 0.075 0.000 2.451 259 K HA 0.131 4.452 4.320 0.001 0.000 0.280 259 K C 0.821 177.453 176.600 0.054 0.000 1.020 259 K CA 0.982 57.315 56.287 0.078 0.000 1.008 259 K CB 0.023 32.574 32.500 0.086 0.000 0.917 259 K HN 0.648 nan 8.250 nan 0.000 0.478 260 G N 3.525 112.356 108.800 0.051 0.000 2.308 260 G HA2 -0.261 3.700 3.960 0.001 0.000 0.221 260 G HA3 -0.261 3.700 3.960 0.001 0.000 0.221 260 G C 0.144 175.058 174.900 0.024 0.000 1.032 260 G CA -0.006 45.115 45.100 0.036 0.000 0.623 260 G HN 0.586 nan 8.290 nan 0.000 0.506 261 M N 1.231 120.841 119.600 0.017 0.000 2.252 261 M HA 0.483 4.964 4.480 0.001 0.000 0.348 261 M C 0.326 176.628 176.300 0.004 0.000 1.334 261 M CA 0.723 56.020 55.300 -0.005 0.000 1.071 261 M CB 0.885 33.464 32.600 -0.035 0.000 1.763 261 M HN 0.383 nan 8.290 nan 0.000 0.452 262 I N 3.848 124.416 120.570 -0.003 0.000 2.689 262 I HA 0.585 4.755 4.170 0.001 0.000 0.299 262 I C -1.039 175.074 176.117 -0.008 0.000 1.059 262 I CA -0.663 60.640 61.300 0.004 0.000 1.055 262 I CB 1.807 39.812 38.000 0.008 0.000 1.243 262 I HN 0.766 nan 8.210 nan 0.000 0.425 263 K N 4.042 124.439 120.400 -0.005 0.000 2.466 263 K HA 0.601 4.922 4.320 0.001 0.000 0.260 263 K C -1.499 175.076 176.600 -0.041 0.000 1.011 263 K CA -0.999 55.277 56.287 -0.018 0.000 0.871 263 K CB 1.691 34.180 32.500 -0.018 0.000 1.404 263 K HN 0.394 nan 8.250 nan 0.000 0.450 264 N N -0.022 118.626 118.700 -0.086 0.000 2.397 264 N HA 0.340 5.081 4.740 0.001 0.000 0.291 264 N C -1.909 173.410 175.510 -0.318 0.000 1.065 264 N CA -0.333 52.579 53.050 -0.230 0.000 0.884 264 N CB 2.536 40.835 38.487 -0.312 0.000 1.551 264 N HN 0.672 nan 8.380 nan 0.000 0.487 265 T N 3.341 117.722 114.554 -0.287 0.000 2.779 265 T HA 0.366 4.717 4.350 0.001 0.000 0.280 265 T C -0.880 173.669 174.700 -0.252 0.000 0.987 265 T CA -0.144 61.859 62.100 -0.161 0.000 0.966 265 T CB 0.225 69.109 68.868 0.027 0.000 0.933 265 T HN 0.246 nan 8.240 nan 0.000 0.442 266 Y N 2.200 122.552 120.300 0.088 0.000 2.504 266 Y HA 0.606 5.156 4.550 0.001 0.000 0.339 266 Y C 0.902 176.869 175.900 0.112 0.000 0.974 266 Y CA -0.397 57.748 58.100 0.077 0.000 1.232 266 Y CB 1.042 39.522 38.460 0.032 0.000 1.108 266 Y HN 0.888 nan 8.280 nan 0.000 0.509 267 G N 0.365 109.326 108.800 0.269 0.000 3.253 267 G HA2 0.110 4.070 3.960 0.001 0.000 0.175 267 G HA3 0.110 4.070 3.960 0.001 0.000 0.175 267 G C 0.689 175.759 174.900 0.283 0.000 1.098 267 G CA -0.298 44.957 45.100 0.259 0.000 0.790 267 G HN 0.284 nan 8.290 nan 0.000 0.648 268 T N 0.330 115.089 114.554 0.340 0.000 2.803 268 T HA 0.174 4.524 4.350 0.001 0.000 0.269 268 T C 1.062 176.015 174.700 0.422 0.000 1.052 268 T CA 1.631 63.962 62.100 0.385 0.000 1.136 268 T CB -0.355 68.810 68.868 0.496 0.000 0.864 268 T HN 0.772 nan 8.240 nan 0.000 0.467 269 G N -0.556 108.522 108.800 0.464 0.000 2.730 269 G HA2 0.680 4.640 3.960 0.001 0.000 0.289 269 G HA3 0.680 4.640 3.960 0.001 0.000 0.289 269 G C -1.698 173.171 174.900 -0.052 0.000 1.341 269 G CA -0.478 44.748 45.100 0.211 0.000 0.932 269 G HN 0.351 nan 8.290 nan 0.000 0.481 270 A N -0.321 122.204 122.820 -0.492 0.000 2.331 270 A HA 0.828 5.149 4.320 0.001 0.000 0.320 270 A C -1.587 175.515 177.584 -0.803 0.000 1.138 270 A CA -0.552 51.233 52.037 -0.421 0.000 0.790 270 A CB 0.640 19.490 19.000 -0.250 0.000 1.206 270 A HN 0.529 nan 8.150 nan 0.000 0.470 271 F N 2.253 122.105 119.950 -0.163 0.000 2.539 271 F HA 0.446 4.974 4.527 0.002 0.000 0.328 271 F C -0.115 175.614 175.800 -0.119 0.000 1.148 271 F CA -0.324 57.609 58.000 -0.111 0.000 0.940 271 F CB 1.788 40.751 39.000 -0.061 0.000 1.194 271 F HN 0.370 nan 8.300 nan 0.000 0.438 272 I N 4.654 125.241 120.570 0.029 0.000 2.325 272 I HA 0.441 4.612 4.170 0.001 0.000 0.291 272 I C -0.701 175.459 176.117 0.073 0.000 1.019 272 I CA -0.690 60.613 61.300 0.005 0.000 1.302 272 I CB 0.981 38.963 38.000 -0.030 0.000 1.401 272 I HN 0.235 nan 8.210 nan 0.000 0.485 273 V N 7.288 127.241 119.914 0.065 0.000 2.656 273 V HA 0.501 4.622 4.120 0.001 0.000 0.307 273 V C -0.286 175.850 176.094 0.070 0.000 1.051 273 V CA -0.683 61.670 62.300 0.089 0.000 0.893 273 V CB 2.052 33.936 31.823 0.102 0.000 0.999 273 V HN 0.722 nan 8.190 nan 0.000 0.426 274 M N 3.867 123.516 119.600 0.082 0.000 2.395 274 M HA 0.528 5.009 4.480 0.001 0.000 0.307 274 M C -0.722 175.632 176.300 0.090 0.000 1.091 274 M CA -0.476 54.867 55.300 0.071 0.000 0.919 274 M CB 1.724 34.360 32.600 0.061 0.000 1.662 274 M HN 0.730 nan 8.290 nan 0.000 0.440 275 N N 2.065 120.818 118.700 0.088 0.000 2.497 275 N HA 0.136 4.877 4.740 0.001 0.000 0.268 275 N C 0.128 175.698 175.510 0.100 0.000 1.171 275 N CA 0.572 53.686 53.050 0.107 0.000 0.948 275 N CB 1.142 39.695 38.487 0.110 0.000 1.069 275 N HN 0.815 nan 8.380 nan 0.000 0.460 276 T N 0.044 114.670 114.554 0.120 0.000 3.084 276 T HA 0.393 4.744 4.350 0.001 0.000 0.270 276 T C 0.863 175.647 174.700 0.140 0.000 1.008 276 T CA 0.265 62.435 62.100 0.116 0.000 0.900 276 T CB -0.184 68.751 68.868 0.112 0.000 1.084 276 T HN 0.705 nan 8.240 nan 0.000 0.538 277 G N 2.153 111.062 108.800 0.182 0.000 2.632 277 G HA2 -0.204 3.757 3.960 0.001 0.000 0.224 277 G HA3 -0.204 3.757 3.960 0.001 0.000 0.224 277 G C 0.071 175.120 174.900 0.248 0.000 1.341 277 G CA -0.136 45.111 45.100 0.246 0.000 0.880 277 G HN 0.357 nan 8.290 nan 0.000 0.566 278 E N 0.891 121.187 120.200 0.160 0.000 2.512 278 E HA 0.126 4.477 4.350 0.001 0.000 0.195 278 E C -0.029 176.646 176.600 0.125 0.000 1.083 278 E CA 0.531 56.952 56.400 0.034 0.000 0.873 278 E CB 0.171 29.819 29.700 -0.087 0.000 0.897 278 E HN 0.330 nan 8.360 nan 0.000 0.514 279 E N 0.934 121.201 120.200 0.111 0.000 2.244 279 E HA 0.130 4.481 4.350 0.001 0.000 0.260 279 E C -2.214 174.344 176.600 -0.069 0.000 0.884 279 E CA -2.138 54.254 56.400 -0.014 0.000 0.777 279 E CB 1.729 31.423 29.700 -0.009 0.000 1.197 279 E HN -0.065 nan 8.360 nan 0.000 0.416 280 P HA -0.013 nan 4.420 nan 0.000 0.253 280 P C -0.081 177.148 177.300 -0.119 0.000 1.459 280 P CA -0.036 62.923 63.100 -0.235 0.000 0.908 280 P CB -0.129 31.245 31.700 -0.543 0.000 1.470 281 Q N 1.851 121.600 119.800 -0.085 0.000 2.736 281 Q HA 0.289 4.629 4.340 0.001 0.000 0.234 281 Q C 0.053 176.041 176.000 -0.020 0.000 1.354 281 Q CA -0.019 55.754 55.803 -0.050 0.000 0.891 281 Q CB -0.921 27.793 28.738 -0.040 0.000 1.665 281 Q HN 0.335 nan 8.270 nan 0.000 0.563 282 L N -2.071 119.144 121.223 -0.013 0.000 3.075 282 L HA 0.522 4.863 4.340 0.001 0.000 0.274 282 L C -1.001 175.880 176.870 0.018 0.000 1.006 282 L CA -1.158 53.686 54.840 0.007 0.000 0.972 282 L CB 1.111 43.181 42.059 0.018 0.000 1.515 282 L HN 0.302 nan 8.230 nan 0.000 0.402 283 S N -0.441 115.275 115.700 0.027 0.000 2.565 283 S HA 0.420 4.891 4.470 0.001 0.000 0.276 283 S C -0.099 174.536 174.600 0.059 0.000 1.326 283 S CA 0.186 58.410 58.200 0.041 0.000 1.045 283 S CB 0.887 64.108 63.200 0.034 0.000 0.918 283 S HN 0.848 nan 8.310 nan 0.000 0.505 284 D N 0.252 120.704 120.400 0.086 0.000 2.650 284 D HA 0.069 4.710 4.640 0.001 0.000 0.265 284 D C -0.274 176.086 176.300 0.100 0.000 1.339 284 D CA -0.609 53.455 54.000 0.107 0.000 0.816 284 D CB -0.903 39.983 40.800 0.143 0.000 1.091 284 D HN 0.480 nan 8.370 nan 0.000 0.483 285 N N 1.651 120.391 118.700 0.067 0.000 2.359 285 N HA -0.048 4.693 4.740 0.001 0.000 0.261 285 N C 0.051 175.604 175.510 0.071 0.000 1.267 285 N CA 0.909 53.983 53.050 0.040 0.000 0.864 285 N CB 0.157 38.664 38.487 0.033 0.000 1.063 285 N HN 0.024 nan 8.380 nan 0.000 0.474 286 D N 0.605 121.048 120.400 0.073 0.000 3.076 286 D HA -0.195 4.446 4.640 0.001 0.000 0.218 286 D C -0.736 175.793 176.300 0.383 0.000 1.156 286 D CA 0.922 55.053 54.000 0.217 0.000 0.921 286 D CB -1.169 39.736 40.800 0.176 0.000 1.113 286 D HN 0.383 nan 8.370 nan 0.000 0.418 287 L N -1.067 120.305 121.223 0.247 0.000 2.301 287 L HA 0.607 4.947 4.340 0.001 0.000 0.249 287 L C 0.011 177.017 176.870 0.227 0.000 1.069 287 L CA -1.109 53.921 54.840 0.317 0.000 0.865 287 L CB 1.486 43.676 42.059 0.219 0.000 1.467 287 L HN -0.222 nan 8.230 nan 0.000 0.419 288 L N -0.195 121.188 121.223 0.268 0.000 2.334 288 L HA 0.599 4.940 4.340 0.001 0.000 0.273 288 L C -0.680 176.294 176.870 0.174 0.000 1.013 288 L CA -0.486 54.481 54.840 0.213 0.000 0.816 288 L CB 1.993 44.217 42.059 0.275 0.000 1.278 288 L HN 0.480 nan 8.230 nan 0.000 0.431 289 T N 1.035 115.661 114.554 0.121 0.000 2.770 289 T HA 0.585 4.936 4.350 0.001 0.000 0.283 289 T C -0.018 174.717 174.700 0.060 0.000 0.988 289 T CA -0.513 61.635 62.100 0.080 0.000 0.957 289 T CB 1.381 70.252 68.868 0.005 0.000 0.930 289 T HN 0.819 nan 8.240 nan 0.000 0.443 290 T N 0.413 115.029 114.554 0.104 0.000 2.716 290 T HA 0.730 5.081 4.350 0.001 0.000 0.286 290 T C -0.483 174.265 174.700 0.080 0.000 1.052 290 T CA -0.913 61.233 62.100 0.076 0.000 1.024 290 T CB 0.851 69.759 68.868 0.067 0.000 1.349 290 T HN 0.390 nan 8.240 nan 0.000 0.525 291 I N 1.437 121.992 120.570 -0.025 0.000 2.331 291 I HA 0.430 4.601 4.170 0.001 0.000 0.292 291 I C 1.589 177.654 176.117 -0.086 0.000 0.998 291 I CA -0.590 60.588 61.300 -0.204 0.000 1.267 291 I CB 1.505 39.348 38.000 -0.261 0.000 1.386 291 I HN 1.020 nan 8.210 nan 0.000 0.476 292 G N 6.330 115.060 108.800 -0.118 0.000 2.404 292 G HA2 -0.049 3.912 3.960 0.001 0.000 0.214 292 G HA3 -0.049 3.912 3.960 0.001 0.000 0.214 292 G C -0.085 174.946 174.900 0.219 0.000 1.189 292 G CA 0.862 45.996 45.100 0.057 0.000 0.789 292 G HN 0.694 nan 8.290 nan 0.000 0.533 293 Y N -3.846 116.494 120.300 0.068 0.000 2.661 293 Y HA 0.552 5.103 4.550 0.002 0.000 0.339 293 Y C -0.479 175.500 175.900 0.132 0.000 1.186 293 Y CA -1.443 56.709 58.100 0.086 0.000 1.137 293 Y CB 0.533 39.023 38.460 0.050 0.000 1.354 293 Y HN 0.245 nan 8.280 nan 0.000 0.469 294 G N 2.290 111.295 108.800 0.341 0.000 2.533 294 G HA2 0.661 4.622 3.960 0.001 0.000 0.310 294 G HA3 0.661 4.622 3.960 0.001 0.000 0.310 294 G C -1.119 173.979 174.900 0.331 0.000 1.266 294 G CA -0.786 44.484 45.100 0.284 0.000 0.967 294 G HN 1.114 nan 8.290 nan 0.000 0.493 295 I N -1.065 119.712 120.570 0.346 0.000 3.095 295 I HA 0.563 4.734 4.170 0.001 0.000 0.310 295 I C -0.142 176.112 176.117 0.228 0.000 1.196 295 I CA -1.371 60.091 61.300 0.270 0.000 0.985 295 I CB 2.247 40.417 38.000 0.284 0.000 1.250 295 I HN 0.331 nan 8.210 nan 0.000 0.446 296 N N 2.643 121.432 118.700 0.149 0.000 2.710 296 N HA -0.218 4.523 4.740 0.001 0.000 0.249 296 N C 0.979 176.540 175.510 0.085 0.000 1.059 296 N CA 1.578 54.694 53.050 0.110 0.000 0.720 296 N CB -1.244 37.318 38.487 0.126 0.000 0.983 296 N HN 1.500 nan 8.380 nan 0.000 0.544 297 G N -1.579 107.267 108.800 0.076 0.000 2.162 297 G HA2 -0.359 3.602 3.960 0.001 0.000 0.260 297 G HA3 -0.359 3.602 3.960 0.001 0.000 0.260 297 G C 0.033 174.930 174.900 -0.005 0.000 0.976 297 G CA 1.107 46.233 45.100 0.044 0.000 0.655 297 G HN 0.583 nan 8.290 nan 0.000 0.533 298 K N -0.918 119.463 120.400 -0.031 0.000 2.395 298 K HA 0.731 5.051 4.320 0.001 0.000 0.247 298 K C -0.662 175.715 176.600 -0.373 0.000 0.973 298 K CA -0.969 55.188 56.287 -0.215 0.000 0.828 298 K CB 3.015 35.345 32.500 -0.284 0.000 1.272 298 K HN 0.035 nan 8.250 nan 0.000 0.439 299 V N 2.425 121.991 119.914 -0.580 0.000 2.448 299 V HA 0.357 4.478 4.120 0.001 0.000 0.295 299 V C -1.383 174.138 176.094 -0.954 0.000 1.025 299 V CA -0.792 61.087 62.300 -0.702 0.000 0.859 299 V CB 0.792 32.191 31.823 -0.706 0.000 0.988 299 V HN 0.566 nan 8.190 nan 0.000 0.431 300 Y N 3.798 123.741 120.300 -0.595 0.000 2.352 300 Y HA 0.621 5.172 4.550 0.001 0.000 0.339 300 Y C -0.149 175.354 175.900 -0.661 0.000 0.992 300 Y CA -0.672 57.090 58.100 -0.563 0.000 1.100 300 Y CB 1.197 39.191 38.460 -0.776 0.000 1.192 300 Y HN 0.524 nan 8.280 nan 0.000 0.458 301 Y N 1.217 121.466 120.300 -0.084 0.000 2.392 301 Y HA 0.754 5.305 4.550 0.002 0.000 0.323 301 Y C 0.255 176.147 175.900 -0.013 0.000 1.291 301 Y CA -0.775 57.282 58.100 -0.072 0.000 1.345 301 Y CB 1.277 39.688 38.460 -0.082 0.000 1.320 301 Y HN 0.623 nan 8.280 nan 0.000 0.518 302 A N 0.979 123.902 122.820 0.172 0.000 2.587 302 A HA 0.707 5.028 4.320 0.001 0.000 0.293 302 A C -2.037 175.629 177.584 0.137 0.000 1.087 302 A CA -0.743 51.375 52.037 0.134 0.000 0.692 302 A CB 1.317 20.386 19.000 0.115 0.000 1.291 302 A HN 0.690 nan 8.150 nan 0.000 0.407 303 L N 1.163 122.461 121.223 0.124 0.000 2.322 303 L HA 0.617 4.958 4.340 0.001 0.000 0.281 303 L C -0.126 176.828 176.870 0.140 0.000 1.014 303 L CA -0.242 54.674 54.840 0.127 0.000 0.815 303 L CB 1.649 43.772 42.059 0.106 0.000 1.247 303 L HN 0.936 nan 8.230 nan 0.000 0.421 304 E N 2.124 122.430 120.200 0.177 0.000 2.317 304 E HA 0.630 4.980 4.350 0.001 0.000 0.270 304 E C -1.021 175.727 176.600 0.247 0.000 0.885 304 E CA -0.752 55.772 56.400 0.206 0.000 0.760 304 E CB 2.401 32.247 29.700 0.242 0.000 1.227 304 E HN 0.666 nan 8.360 nan 0.000 0.434 305 G N 1.534 110.448 108.800 0.190 0.000 2.644 305 G HA2 0.385 4.346 3.960 0.001 0.000 0.300 305 G HA3 0.385 4.346 3.960 0.001 0.000 0.300 305 G C -1.023 173.888 174.900 0.018 0.000 1.395 305 G CA -0.484 44.690 45.100 0.123 0.000 0.964 305 G HN 0.326 nan 8.290 nan 0.000 0.511 306 S N 1.852 117.510 115.700 -0.070 0.000 2.422 306 S HA 0.401 4.872 4.470 0.001 0.000 0.298 306 S C 0.143 174.199 174.600 -0.907 0.000 1.118 306 S CA -0.361 57.604 58.200 -0.392 0.000 1.083 306 S CB 0.939 64.037 63.200 -0.170 0.000 0.971 306 S HN 0.493 nan 8.310 nan 0.000 0.478 307 I N 4.456 124.493 120.570 -0.888 0.000 2.412 307 I HA 0.204 4.375 4.170 0.001 0.000 0.279 307 I C 0.153 175.926 176.117 -0.573 0.000 1.063 307 I CA -0.409 60.505 61.300 -0.642 0.000 1.193 307 I CB 0.294 38.063 38.000 -0.385 0.000 1.370 307 I HN 0.567 nan 8.210 nan 0.000 0.479 308 F N 4.165 123.975 119.950 -0.233 0.000 2.120 308 F HA -0.145 4.383 4.527 0.001 0.000 0.300 308 F C 1.271 177.140 175.800 0.115 0.000 1.095 308 F CA 0.920 58.927 58.000 0.012 0.000 1.249 308 F CB -0.455 38.577 39.000 0.052 0.000 0.995 308 F HN 0.099 nan 8.300 nan 0.000 0.480 309 V N -0.212 119.817 119.914 0.192 0.000 2.313 309 V HA 0.674 4.795 4.120 0.001 0.000 0.278 309 V C 0.291 176.441 176.094 0.093 0.000 1.017 309 V CA 0.046 62.441 62.300 0.159 0.000 0.823 309 V CB 0.630 32.488 31.823 0.058 0.000 1.010 309 V HN 0.238 nan 8.190 nan 0.000 0.443 310 A N 4.303 127.210 122.820 0.146 0.000 1.845 310 A HA 0.532 4.852 4.320 0.001 0.000 0.188 310 A C 1.941 179.626 177.584 0.168 0.000 2.173 310 A CA 0.814 52.930 52.037 0.132 0.000 1.255 310 A CB -0.785 18.301 19.000 0.143 0.000 0.999 310 A HN 0.755 nan 8.150 nan 0.000 0.634 311 G N 0.594 109.513 108.800 0.199 0.000 2.408 311 G HA2 -0.128 3.833 3.960 0.001 0.000 0.217 311 G HA3 -0.128 3.833 3.960 0.001 0.000 0.217 311 G C 1.747 176.774 174.900 0.212 0.000 1.150 311 G CA 1.960 47.174 45.100 0.190 0.000 0.776 311 G HN 1.030 nan 8.290 nan 0.000 0.542 312 S N 0.846 116.694 115.700 0.247 0.000 2.493 312 S HA 0.170 4.640 4.470 0.001 0.000 0.243 312 S C 2.336 177.146 174.600 0.351 0.000 0.991 312 S CA 1.292 59.652 58.200 0.267 0.000 0.957 312 S CB -0.168 63.192 63.200 0.267 0.000 0.756 312 S HN 0.555 nan 8.310 nan 0.000 0.521 313 A N 2.030 125.068 122.820 0.362 0.000 1.903 313 A HA 0.217 4.538 4.320 0.001 0.000 0.213 313 A C 2.100 179.948 177.584 0.441 0.000 1.185 313 A CA 0.839 53.178 52.037 0.503 0.000 0.628 313 A CB -0.454 18.738 19.000 0.321 0.000 0.830 313 A HN 0.482 nan 8.150 nan 0.000 0.446 314 I N 0.218 120.951 120.570 0.271 0.000 2.361 314 I HA -0.214 3.957 4.170 0.001 0.000 0.251 314 I C 2.476 178.694 176.117 0.169 0.000 1.133 314 I CA 1.441 62.855 61.300 0.190 0.000 1.413 314 I CB -1.353 36.721 38.000 0.124 0.000 1.073 314 I HN 0.510 nan 8.210 nan 0.000 0.424 315 Q N -0.782 119.133 119.800 0.191 0.000 2.167 315 Q HA -0.246 4.095 4.340 0.001 0.000 0.202 315 Q C 2.232 178.326 176.000 0.156 0.000 0.970 315 Q CA 1.376 57.264 55.803 0.143 0.000 0.855 315 Q CB -0.122 28.704 28.738 0.147 0.000 0.911 315 Q HN 0.574 nan 8.270 nan 0.000 0.438 316 W N 0.560 121.885 121.300 0.040 0.000 2.418 316 W HA -0.081 4.580 4.660 0.001 0.000 0.292 316 W C 1.254 177.781 176.519 0.013 0.000 1.213 316 W CA 0.961 58.293 57.345 -0.022 0.000 1.283 316 W CB -0.206 29.236 29.460 -0.030 0.000 1.119 316 W HN 0.069 nan 8.180 nan 0.000 0.542 317 L N 0.459 121.647 121.223 -0.059 0.000 2.275 317 L HA -0.102 4.239 4.340 0.001 0.000 0.215 317 L C 2.709 179.451 176.870 -0.213 0.000 1.119 317 L CA 1.279 55.978 54.840 -0.235 0.000 0.790 317 L CB -0.729 41.332 42.059 0.004 0.000 0.919 317 L HN -0.005 nan 8.230 nan 0.000 0.443 318 R N -0.143 120.285 120.500 -0.119 0.000 2.075 318 R HA -0.065 4.276 4.340 0.001 0.000 0.220 318 R C 1.290 177.518 176.300 -0.120 0.000 1.118 318 R CA 1.222 57.267 56.100 -0.093 0.000 0.986 318 R CB 0.230 30.512 30.300 -0.030 0.000 0.884 318 R HN 0.274 nan 8.270 nan 0.000 0.439 319 D N -1.304 119.025 120.400 -0.118 0.000 2.392 319 D HA 0.078 4.719 4.640 0.001 0.000 0.206 319 D C 1.267 177.468 176.300 -0.166 0.000 1.046 319 D CA 0.666 54.599 54.000 -0.112 0.000 0.865 319 D CB 0.816 41.578 40.800 -0.065 0.000 0.969 319 D HN 0.403 nan 8.370 nan 0.000 0.509 320 G N 0.923 109.547 108.800 -0.292 0.000 2.664 320 G HA2 0.013 3.974 3.960 0.001 0.000 0.216 320 G HA3 0.013 3.974 3.960 0.001 0.000 0.216 320 G C 1.492 176.141 174.900 -0.418 0.000 1.243 320 G CA -0.120 44.766 45.100 -0.357 0.000 0.859 320 G HN 0.119 nan 8.290 nan 0.000 0.574 321 L N -0.056 120.753 121.223 -0.691 0.000 2.492 321 L HA 0.198 4.539 4.340 0.001 0.000 0.223 321 L C 1.125 177.792 176.870 -0.339 0.000 1.132 321 L CA 0.079 54.605 54.840 -0.522 0.000 0.850 321 L CB -0.129 41.509 42.059 -0.701 0.000 0.966 321 L HN 0.231 nan 8.230 nan 0.000 0.454 322 R N -0.482 119.839 120.500 -0.298 0.000 3.502 322 R HA -0.262 4.079 4.340 0.001 0.000 0.266 322 R C 1.285 177.480 176.300 -0.175 0.000 1.077 322 R CA 0.958 56.942 56.100 -0.193 0.000 0.718 322 R CB -1.951 28.260 30.300 -0.149 0.000 1.120 322 R HN 0.464 nan 8.270 nan 0.000 0.457 323 M N -0.064 119.412 119.600 -0.208 0.000 2.447 323 M HA 0.141 4.621 4.480 0.001 0.000 0.264 323 M C 0.724 176.962 176.300 -0.102 0.000 1.095 323 M CA 1.253 56.452 55.300 -0.167 0.000 1.125 323 M CB 0.494 32.972 32.600 -0.204 0.000 1.389 323 M HN 0.330 nan 8.290 nan 0.000 0.459 324 I N -0.074 120.441 120.570 -0.092 0.000 2.740 324 I HA 0.169 4.340 4.170 0.001 0.000 0.303 324 I C 0.253 176.339 176.117 -0.051 0.000 1.044 324 I CA -0.420 60.848 61.300 -0.053 0.000 1.064 324 I CB 1.879 39.863 38.000 -0.028 0.000 1.249 324 I HN 0.153 nan 8.210 nan 0.000 0.433 325 E N 2.030 122.208 120.200 -0.036 0.000 2.102 325 E HA 0.029 4.379 4.350 0.001 0.000 0.190 325 E C -0.190 176.396 176.600 -0.023 0.000 0.971 325 E CA 0.697 57.078 56.400 -0.032 0.000 0.821 325 E CB 0.348 30.032 29.700 -0.027 0.000 0.777 325 E HN 0.742 nan 8.360 nan 0.000 0.460 326 T N -3.006 111.540 114.554 -0.014 0.000 2.923 326 T HA 0.279 4.630 4.350 0.001 0.000 0.311 326 T C 0.670 175.372 174.700 0.004 0.000 1.183 326 T CA -0.680 61.417 62.100 -0.005 0.000 1.020 326 T CB 1.826 70.692 68.868 -0.003 0.000 1.165 326 T HN -0.223 nan 8.240 nan 0.000 0.482 327 S N 2.082 117.791 115.700 0.014 0.000 2.368 327 S HA -0.064 4.407 4.470 0.001 0.000 0.226 327 S C -0.471 174.140 174.600 0.019 0.000 1.044 327 S CA 1.948 60.163 58.200 0.026 0.000 1.062 327 S CB -1.118 62.105 63.200 0.039 0.000 0.931 327 S HN 0.850 nan 8.310 nan 0.000 0.440 328 P HA -0.110 nan 4.420 nan 0.000 0.228 328 P C 1.103 178.404 177.300 0.002 0.000 1.151 328 P CA 0.952 64.057 63.100 0.009 0.000 0.770 328 P CB -0.029 31.677 31.700 0.010 0.000 0.786 329 Q N 1.098 120.898 119.800 0.001 0.000 2.311 329 Q HA -0.067 4.274 4.340 0.001 0.000 0.203 329 Q C 2.099 178.096 176.000 -0.005 0.000 0.954 329 Q CA 1.351 57.152 55.803 -0.004 0.000 0.885 329 Q CB -0.218 28.516 28.738 -0.007 0.000 0.963 329 Q HN 0.268 nan 8.270 nan 0.000 0.471 330 S N -0.132 115.568 115.700 -0.001 0.000 2.442 330 S HA -0.141 4.329 4.470 0.001 0.000 0.236 330 S C 1.674 176.264 174.600 -0.017 0.000 1.007 330 S CA 0.813 59.012 58.200 -0.001 0.000 0.965 330 S CB -0.109 63.098 63.200 0.011 0.000 0.773 330 S HN 0.336 nan 8.310 nan 0.000 0.504 331 E N 1.639 121.827 120.200 -0.019 0.000 2.047 331 E HA -0.157 4.194 4.350 0.001 0.000 0.191 331 E C 2.132 178.716 176.600 -0.027 0.000 0.987 331 E CA 1.334 57.716 56.400 -0.029 0.000 0.799 331 E CB -0.282 29.406 29.700 -0.020 0.000 0.752 331 E HN 0.852 nan 8.360 nan 0.000 0.449 332 E N 0.255 120.444 120.200 -0.018 0.000 2.072 332 E HA -0.137 4.214 4.350 0.001 0.000 0.190 332 E C 2.452 179.041 176.600 -0.018 0.000 0.982 332 E CA 0.481 56.872 56.400 -0.016 0.000 0.803 332 E CB -0.024 29.669 29.700 -0.011 0.000 0.755 332 E HN 0.180 nan 8.360 nan 0.000 0.453 333 L N 0.575 121.788 121.223 -0.017 0.000 2.017 333 L HA -0.130 4.211 4.340 0.001 0.000 0.208 333 L C 2.660 179.517 176.870 -0.022 0.000 1.073 333 L CA 1.233 56.064 54.840 -0.014 0.000 0.745 333 L CB -0.376 41.680 42.059 -0.005 0.000 0.894 333 L HN 0.207 nan 8.230 nan 0.000 0.432 334 A N -0.385 122.415 122.820 -0.034 0.000 2.067 334 A HA -0.025 4.296 4.320 0.001 0.000 0.219 334 A C 2.225 179.771 177.584 -0.064 0.000 1.158 334 A CA 1.314 53.316 52.037 -0.059 0.000 0.661 334 A CB -0.524 18.424 19.000 -0.087 0.000 0.801 334 A HN 0.392 nan 8.150 nan 0.000 0.452 335 A N -0.905 121.887 122.820 -0.047 0.000 2.238 335 A HA 0.179 4.500 4.320 0.001 0.000 0.208 335 A C 1.370 178.937 177.584 -0.029 0.000 1.177 335 A CA 0.647 52.660 52.037 -0.040 0.000 0.804 335 A CB -0.151 18.832 19.000 -0.029 0.000 0.823 335 A HN 0.439 nan 8.150 nan 0.000 0.482 336 K N -0.151 120.232 120.400 -0.027 0.000 2.536 336 K HA 0.348 4.669 4.320 0.001 0.000 0.203 336 K C 0.060 176.648 176.600 -0.020 0.000 1.063 336 K CA 0.066 56.341 56.287 -0.020 0.000 1.063 336 K CB 1.015 33.506 32.500 -0.015 0.000 0.843 336 K HN 0.299 nan 8.250 nan 0.000 0.521 337 A N 1.733 124.535 122.820 -0.029 0.000 2.404 337 A HA 0.131 4.451 4.320 0.001 0.000 0.273 337 A C 0.557 178.127 177.584 -0.023 0.000 1.144 337 A CA -0.068 51.952 52.037 -0.028 0.000 0.806 337 A CB 0.287 19.259 19.000 -0.047 0.000 1.080 337 A HN 0.057 nan 8.150 nan 0.000 0.509 338 K N 2.776 123.167 120.400 -0.014 0.000 2.372 338 K HA 0.135 4.456 4.320 0.001 0.000 0.200 338 K C 0.985 177.581 176.600 -0.007 0.000 1.022 338 K CA 0.590 56.871 56.287 -0.009 0.000 1.125 338 K CB 0.029 32.526 32.500 -0.005 0.000 0.855 338 K HN 0.704 nan 8.250 nan 0.000 0.524 339 G N 1.643 110.437 108.800 -0.012 0.000 2.563 339 G HA2 0.080 4.041 3.960 0.001 0.000 0.283 339 G HA3 0.080 4.041 3.960 0.001 0.000 0.283 339 G C 0.043 174.938 174.900 -0.009 0.000 1.309 339 G CA -0.416 44.678 45.100 -0.009 0.000 1.022 339 G HN 0.201 nan 8.290 nan 0.000 0.501 340 D N -1.588 118.810 120.400 -0.004 0.000 2.463 340 D HA 0.036 4.677 4.640 0.001 0.000 0.224 340 D C -0.032 176.271 176.300 0.004 0.000 1.174 340 D CA -0.424 53.581 54.000 0.008 0.000 0.829 340 D CB -0.422 40.390 40.800 0.021 0.000 0.993 340 D HN 0.576 nan 8.370 nan 0.000 0.497 341 N N 1.026 119.706 118.700 -0.034 0.000 2.568 341 N HA -0.163 4.578 4.740 0.001 0.000 0.277 341 N C -0.233 175.208 175.510 -0.116 0.000 1.200 341 N CA 0.362 53.364 53.050 -0.081 0.000 0.702 341 N CB -0.385 38.096 38.487 -0.011 0.000 0.889 341 N HN 0.350 nan 8.380 nan 0.000 0.546 342 E N -0.543 119.555 120.200 -0.170 0.000 2.679 342 E HA 0.107 4.458 4.350 0.001 0.000 0.221 342 E C -0.691 175.808 176.600 -0.168 0.000 0.928 342 E CA -0.083 56.249 56.400 -0.114 0.000 1.296 342 E CB 1.130 30.850 29.700 0.034 0.000 1.235 342 E HN 0.138 nan 8.360 nan 0.000 0.622 343 V N 2.054 121.827 119.914 -0.235 0.000 2.432 343 V HA 0.254 4.374 4.120 0.001 0.000 0.275 343 V C -0.838 175.084 176.094 -0.285 0.000 1.043 343 V CA -0.131 62.102 62.300 -0.113 0.000 0.925 343 V CB 0.190 31.987 31.823 -0.044 0.000 0.985 343 V HN 0.099 nan 8.190 nan 0.000 0.466 344 Y N 2.895 123.267 120.300 0.119 0.000 2.376 344 Y HA 0.620 5.171 4.550 0.001 0.000 0.340 344 Y C -0.060 175.914 175.900 0.124 0.000 0.965 344 Y CA -0.817 57.380 58.100 0.162 0.000 1.078 344 Y CB 2.198 40.764 38.460 0.175 0.000 1.193 344 Y HN 0.336 nan 8.280 nan 0.000 0.452 345 V N 4.528 124.589 119.914 0.245 0.000 2.384 345 V HA 0.420 4.541 4.120 0.001 0.000 0.287 345 V C -0.751 175.480 176.094 0.227 0.000 1.020 345 V CA -0.877 61.477 62.300 0.090 0.000 0.850 345 V CB 1.611 33.361 31.823 -0.121 0.000 0.987 345 V HN 0.521 nan 8.190 nan 0.000 0.436 346 V N 7.737 127.717 119.914 0.109 0.000 2.284 346 V HA 0.309 4.430 4.120 0.001 0.000 0.274 346 V C -1.855 174.161 176.094 -0.130 0.000 1.023 346 V CA -1.367 60.968 62.300 0.058 0.000 0.808 346 V CB 1.707 33.475 31.823 -0.091 0.000 1.035 346 V HN 0.778 nan 8.190 nan 0.000 0.445 347 P HA 0.156 nan 4.420 nan 0.000 0.225 347 P C 0.335 177.173 177.300 -0.771 0.000 1.768 347 P CA 0.003 62.642 63.100 -0.767 0.000 0.943 347 P CB 0.373 31.682 31.700 -0.651 0.000 1.936 348 A N 0.623 123.179 122.820 -0.441 0.000 3.135 348 A HA 0.214 4.535 4.320 0.001 0.000 0.253 348 A C 0.909 178.419 177.584 -0.124 0.000 1.638 348 A CA -0.507 51.402 52.037 -0.212 0.000 1.295 348 A CB -1.276 17.666 19.000 -0.097 0.000 1.106 348 A HN 0.071 nan 8.150 nan 0.000 0.648 349 F N 0.644 120.544 119.950 -0.085 0.000 2.154 349 F HA -0.132 4.396 4.527 0.001 0.000 0.301 349 F C 2.315 178.076 175.800 -0.066 0.000 1.087 349 F CA 2.012 59.934 58.000 -0.130 0.000 1.274 349 F CB -0.719 38.161 39.000 -0.198 0.000 1.009 349 F HN 0.489 nan 8.300 nan 0.000 0.485 350 T N -2.118 112.515 114.554 0.132 0.000 3.374 350 T HA 0.613 4.964 4.350 0.001 0.000 0.267 350 T C 0.387 175.115 174.700 0.048 0.000 0.996 350 T CA -0.016 62.116 62.100 0.055 0.000 0.977 350 T CB -0.182 68.670 68.868 -0.028 0.000 1.149 350 T HN 0.583 nan 8.240 nan 0.000 0.517 351 G N 1.335 110.180 108.800 0.074 0.000 2.699 351 G HA2 -0.052 3.909 3.960 0.001 0.000 0.686 351 G HA3 -0.052 3.909 3.960 0.001 0.000 0.686 351 G C -0.896 174.079 174.900 0.125 0.000 1.301 351 G CA -0.996 44.162 45.100 0.097 0.000 0.816 351 G HN 0.645 nan 8.290 nan 0.000 0.595 352 L N 1.701 122.984 121.223 0.099 0.000 2.305 352 L HA 0.594 4.935 4.340 0.001 0.000 0.281 352 L C 1.647 178.534 176.870 0.030 0.000 1.085 352 L CA 0.123 54.999 54.840 0.059 0.000 0.813 352 L CB 1.023 43.076 42.059 -0.011 0.000 1.157 352 L HN 0.993 nan 8.230 nan 0.000 0.436 353 G N 1.782 110.474 108.800 -0.178 0.000 2.546 353 G HA2 0.505 4.466 3.960 0.001 0.000 0.239 353 G HA3 0.505 4.466 3.960 0.001 0.000 0.239 353 G C -0.186 174.053 174.900 -1.102 0.000 1.476 353 G CA -0.188 44.430 45.100 -0.804 0.000 1.064 353 G HN 0.759 nan 8.290 nan 0.000 0.561 354 A N 0.441 122.369 122.820 -1.487 0.000 2.498 354 A HA 0.463 4.784 4.320 0.001 0.000 0.239 354 A C -1.194 176.062 177.584 -0.546 0.000 1.068 354 A CA -0.570 50.840 52.037 -1.045 0.000 0.766 354 A CB 0.394 19.144 19.000 -0.416 0.000 1.003 354 A HN 0.414 nan 8.150 nan 0.000 0.497 355 P HA 0.085 nan 4.420 nan 0.000 0.261 355 P C -0.042 176.992 177.300 -0.442 0.000 1.352 355 P CA 0.523 63.362 63.100 -0.435 0.000 0.891 355 P CB 0.034 31.539 31.700 -0.324 0.000 1.383 356 Y N -1.661 118.510 120.300 -0.216 0.000 2.314 356 Y HA 0.089 4.640 4.550 0.001 0.000 0.294 356 Y C 0.850 176.790 175.900 0.065 0.000 1.119 356 Y CA 0.117 58.177 58.100 -0.067 0.000 1.179 356 Y CB -1.163 37.245 38.460 -0.086 0.000 1.025 356 Y HN -0.134 nan 8.280 nan 0.000 0.541 357 W N 1.717 123.145 121.300 0.213 0.000 6.840 357 W HA -0.252 4.409 4.660 0.001 0.000 0.413 357 W C -0.414 176.213 176.519 0.180 0.000 1.605 357 W CA 0.610 58.073 57.345 0.197 0.000 1.122 357 W CB -1.052 28.504 29.460 0.160 0.000 2.811 357 W HN 0.085 nan 8.180 nan 0.000 1.578 358 D N 0.215 120.790 120.400 0.292 0.000 2.464 358 D HA 0.254 4.895 4.640 0.001 0.000 0.243 358 D C 1.138 177.543 176.300 0.174 0.000 1.104 358 D CA 0.347 54.470 54.000 0.205 0.000 0.883 358 D CB 0.769 41.648 40.800 0.133 0.000 1.050 358 D HN 0.014 nan 8.370 nan 0.000 0.524 359 S N 2.550 118.361 115.700 0.186 0.000 2.555 359 S HA -0.061 4.409 4.470 0.001 0.000 0.230 359 S C 1.245 175.904 174.600 0.097 0.000 0.978 359 S CA 0.312 58.600 58.200 0.147 0.000 0.934 359 S CB 0.185 63.474 63.200 0.148 0.000 0.766 359 S HN 0.322 nan 8.310 nan 0.000 0.533 360 E N 1.944 122.195 120.200 0.084 0.000 2.170 360 E HA 0.325 4.676 4.350 0.001 0.000 0.191 360 E C 1.147 177.783 176.600 0.062 0.000 0.981 360 E CA 0.596 57.029 56.400 0.056 0.000 0.830 360 E CB -0.591 29.130 29.700 0.035 0.000 0.775 360 E HN 0.682 nan 8.360 nan 0.000 0.470 361 A N 2.139 125.000 122.820 0.067 0.000 2.507 361 A HA 0.183 4.504 4.320 0.001 0.000 0.235 361 A C 0.517 178.153 177.584 0.088 0.000 1.070 361 A CA 0.237 52.319 52.037 0.075 0.000 0.768 361 A CB 0.378 19.393 19.000 0.025 0.000 1.011 361 A HN -0.066 nan 8.150 nan 0.000 0.502 362 R N 0.215 120.788 120.500 0.122 0.000 2.930 362 R HA 0.531 4.871 4.340 0.001 0.000 0.257 362 R C 0.460 176.791 176.300 0.051 0.000 1.107 362 R CA -0.164 56.004 56.100 0.114 0.000 0.999 362 R CB 0.954 31.363 30.300 0.183 0.000 1.209 362 R HN 0.935 nan 8.270 nan 0.000 0.486 363 G N -0.070 108.753 108.800 0.039 0.000 2.414 363 G HA2 0.405 4.366 3.960 0.001 0.000 0.236 363 G HA3 0.405 4.366 3.960 0.001 0.000 0.236 363 G C -0.701 174.162 174.900 -0.061 0.000 1.293 363 G CA 0.278 45.340 45.100 -0.064 0.000 0.869 363 G HN 0.584 nan 8.290 nan 0.000 0.556 364 A N 0.892 123.645 122.820 -0.112 0.000 2.606 364 A HA 0.761 5.082 4.320 0.001 0.000 0.293 364 A C -1.107 176.313 177.584 -0.273 0.000 1.082 364 A CA -0.517 51.383 52.037 -0.229 0.000 0.685 364 A CB 1.965 20.833 19.000 -0.221 0.000 1.284 364 A HN 1.265 nan 8.150 nan 0.000 0.408 365 V N 0.858 120.468 119.914 -0.507 0.000 2.709 365 V HA 0.741 4.862 4.120 0.001 0.000 0.308 365 V C -1.266 174.423 176.094 -0.674 0.000 1.062 365 V CA -0.347 61.752 62.300 -0.336 0.000 0.901 365 V CB 1.443 33.256 31.823 -0.017 0.000 1.003 365 V HN 0.762 nan 8.190 nan 0.000 0.425 366 F N 0.747 120.735 119.950 0.063 0.000 2.603 366 F HA 0.778 5.306 4.527 0.001 0.000 0.317 366 F C 1.034 176.895 175.800 0.102 0.000 1.066 366 F CA -0.007 58.029 58.000 0.060 0.000 0.941 366 F CB 2.132 41.151 39.000 0.031 0.000 1.291 366 F HN 0.736 nan 8.300 nan 0.000 0.472 367 G N 1.154 110.120 108.800 0.277 0.000 2.136 367 G HA2 -0.258 3.703 3.960 0.001 0.000 0.242 367 G HA3 -0.258 3.703 3.960 0.001 0.000 0.242 367 G C -0.271 174.697 174.900 0.112 0.000 0.989 367 G CA -0.379 44.831 45.100 0.184 0.000 0.682 367 G HN 0.534 nan 8.290 nan 0.000 0.522 368 L N 1.380 122.659 121.223 0.094 0.000 2.453 368 L HA 0.549 4.890 4.340 0.001 0.000 0.272 368 L C 1.132 178.032 176.870 0.050 0.000 1.182 368 L CA 0.756 55.638 54.840 0.071 0.000 0.858 368 L CB 0.845 42.940 42.059 0.060 0.000 1.120 368 L HN 0.473 nan 8.230 nan 0.000 0.474 369 T N -1.125 113.453 114.554 0.041 0.000 2.883 369 T HA 0.357 4.708 4.350 0.001 0.000 0.301 369 T C 0.512 175.223 174.700 0.019 0.000 1.158 369 T CA -1.044 61.073 62.100 0.028 0.000 1.007 369 T CB 1.696 70.581 68.868 0.028 0.000 1.186 369 T HN 0.655 nan 8.240 nan 0.000 0.499 370 R N 0.865 121.371 120.500 0.010 0.000 2.249 370 R HA 0.102 4.443 4.340 0.001 0.000 0.230 370 R C 1.733 178.035 176.300 0.003 0.000 1.121 370 R CA 1.862 57.963 56.100 0.003 0.000 0.997 370 R CB -1.057 29.243 30.300 -0.001 0.000 0.867 370 R HN 0.749 nan 8.270 nan 0.000 0.465 371 G N -0.490 108.315 108.800 0.009 0.000 2.985 371 G HA2 0.002 3.963 3.960 0.001 0.000 0.209 371 G HA3 0.002 3.963 3.960 0.001 0.000 0.209 371 G C -0.334 174.573 174.900 0.012 0.000 1.165 371 G CA -0.071 45.033 45.100 0.008 0.000 0.776 371 G HN 0.316 nan 8.290 nan 0.000 0.541 372 T N 1.993 116.558 114.554 0.019 0.000 2.752 372 T HA 0.402 4.753 4.350 0.001 0.000 0.295 372 T C 0.833 175.549 174.700 0.027 0.000 0.923 372 T CA -0.021 62.099 62.100 0.033 0.000 1.112 372 T CB 1.047 69.950 68.868 0.059 0.000 0.884 372 T HN 0.312 nan 8.240 nan 0.000 0.525 373 T N 0.638 115.209 114.554 0.028 0.000 2.862 373 T HA 0.376 4.727 4.350 0.001 0.000 0.276 373 T C 1.435 176.158 174.700 0.038 0.000 0.974 373 T CA -1.002 61.108 62.100 0.016 0.000 0.966 373 T CB 1.217 70.090 68.868 0.008 0.000 1.072 373 T HN 0.487 nan 8.240 nan 0.000 0.538 374 K N 0.028 120.435 120.400 0.011 0.000 2.148 374 K HA -0.142 4.178 4.320 0.001 0.000 0.204 374 K C 1.793 178.437 176.600 0.073 0.000 1.050 374 K CA 1.431 57.731 56.287 0.022 0.000 0.942 374 K CB -0.186 32.298 32.500 -0.026 0.000 0.724 374 K HN 0.617 nan 8.250 nan 0.000 0.446 375 E N 1.169 121.391 120.200 0.037 0.000 2.153 375 E HA -0.157 4.194 4.350 0.001 0.000 0.194 375 E C 1.599 178.216 176.600 0.028 0.000 0.988 375 E CA 1.405 57.819 56.400 0.024 0.000 0.811 375 E CB -0.057 29.643 29.700 0.001 0.000 0.746 375 E HN 0.370 nan 8.360 nan 0.000 0.466 376 D N -0.468 119.958 120.400 0.044 0.000 2.123 376 D HA -0.120 4.521 4.640 0.001 0.000 0.200 376 D C 1.731 178.063 176.300 0.053 0.000 0.976 376 D CA 0.622 54.638 54.000 0.026 0.000 0.831 376 D CB -0.301 40.518 40.800 0.032 0.000 0.974 376 D HN 0.157 nan 8.370 nan 0.000 0.469 377 F N 1.611 121.548 119.950 -0.022 0.000 2.171 377 F HA -0.194 4.333 4.527 0.001 0.000 0.300 377 F C 2.206 178.013 175.800 0.011 0.000 1.090 377 F CA 0.962 58.963 58.000 0.002 0.000 1.293 377 F CB -0.015 38.987 39.000 0.003 0.000 1.013 377 F HN -0.242 nan 8.300 nan 0.000 0.486 378 V N 0.509 120.523 119.914 0.167 0.000 2.453 378 V HA -0.231 3.890 4.120 0.001 0.000 0.247 378 V C 2.478 178.550 176.094 -0.037 0.000 1.048 378 V CA 2.033 64.379 62.300 0.076 0.000 1.049 378 V CB -0.712 31.156 31.823 0.075 0.000 0.672 378 V HN 0.287 nan 8.190 nan 0.000 0.457 379 R N 0.467 120.927 120.500 -0.067 0.000 2.092 379 R HA -0.100 4.241 4.340 0.001 0.000 0.231 379 R C 2.215 178.404 176.300 -0.185 0.000 1.119 379 R CA 1.495 57.511 56.100 -0.140 0.000 0.970 379 R CB -0.354 29.857 30.300 -0.149 0.000 0.864 379 R HN 0.468 nan 8.270 nan 0.000 0.440 380 A N -0.242 122.477 122.820 -0.167 0.000 2.015 380 A HA -0.072 4.248 4.320 0.001 0.000 0.219 380 A C 2.033 179.548 177.584 -0.115 0.000 1.163 380 A CA 1.702 53.647 52.037 -0.154 0.000 0.646 380 A CB -0.518 18.371 19.000 -0.185 0.000 0.806 380 A HN 0.410 nan 8.150 nan 0.000 0.448 381 T N 0.402 114.861 114.554 -0.158 0.000 2.812 381 T HA -0.023 4.328 4.350 0.001 0.000 0.264 381 T C 1.784 176.463 174.700 -0.036 0.000 1.042 381 T CA 1.308 63.360 62.100 -0.079 0.000 1.140 381 T CB -0.310 68.543 68.868 -0.024 0.000 0.870 381 T HN 0.374 nan 8.240 nan 0.000 0.445 382 L N 0.717 121.894 121.223 -0.075 0.000 2.093 382 L HA -0.092 4.249 4.340 0.001 0.000 0.208 382 L C 2.804 179.586 176.870 -0.147 0.000 1.085 382 L CA 1.277 56.057 54.840 -0.099 0.000 0.755 382 L CB -0.555 41.425 42.059 -0.132 0.000 0.904 382 L HN 0.301 nan 8.230 nan 0.000 0.435 383 Q N -0.283 119.392 119.800 -0.207 0.000 2.224 383 Q HA -0.144 4.197 4.340 0.001 0.000 0.203 383 Q C 2.442 178.365 176.000 -0.128 0.000 0.970 383 Q CA 1.176 56.815 55.803 -0.273 0.000 0.865 383 Q CB -0.186 28.286 28.738 -0.444 0.000 0.922 383 Q HN 0.544 nan 8.270 nan 0.000 0.445 384 A N 0.447 123.267 122.820 -0.001 0.000 1.917 384 A HA -0.201 4.120 4.320 0.001 0.000 0.219 384 A C 2.236 179.721 177.584 -0.165 0.000 1.182 384 A CA 1.686 53.703 52.037 -0.033 0.000 0.633 384 A CB -0.964 18.114 19.000 0.130 0.000 0.819 384 A HN 0.316 nan 8.150 nan 0.000 0.448 385 V N -0.563 119.305 119.914 -0.076 0.000 2.626 385 V HA -0.076 4.045 4.120 0.001 0.000 0.252 385 V C 2.667 178.724 176.094 -0.061 0.000 1.067 385 V CA 2.007 64.287 62.300 -0.033 0.000 1.081 385 V CB -0.561 31.293 31.823 0.052 0.000 0.686 385 V HN 0.614 nan 8.190 nan 0.000 0.468 386 A N -1.359 121.376 122.820 -0.141 0.000 1.929 386 A HA -0.120 4.200 4.320 0.001 0.000 0.216 386 A C 1.959 179.366 177.584 -0.295 0.000 1.176 386 A CA 1.612 53.535 52.037 -0.191 0.000 0.628 386 A CB -0.653 18.259 19.000 -0.148 0.000 0.816 386 A HN 0.615 nan 8.150 nan 0.000 0.444 387 Y N -0.396 119.679 120.300 -0.375 0.000 2.184 387 Y HA -0.143 4.408 4.550 0.001 0.000 0.290 387 Y C 2.627 178.249 175.900 -0.464 0.000 1.129 387 Y CA 1.596 59.297 58.100 -0.666 0.000 1.144 387 Y CB -0.612 36.800 38.460 -1.746 0.000 0.995 387 Y HN 0.404 nan 8.280 nan 0.000 0.513 388 Q N -0.561 119.110 119.800 -0.215 0.000 2.224 388 Q HA -0.136 4.205 4.340 0.001 0.000 0.203 388 Q C 2.216 178.246 176.000 0.051 0.000 0.970 388 Q CA 1.293 57.172 55.803 0.128 0.000 0.865 388 Q CB -0.031 28.817 28.738 0.184 0.000 0.922 388 Q HN 0.358 nan 8.270 nan 0.000 0.445 389 S N 0.415 116.102 115.700 -0.023 0.000 2.382 389 S HA -0.146 4.325 4.470 0.001 0.000 0.228 389 S C 1.656 176.236 174.600 -0.033 0.000 1.027 389 S CA 1.166 59.346 58.200 -0.033 0.000 0.991 389 S CB -0.086 63.108 63.200 -0.011 0.000 0.823 389 S HN 0.319 nan 8.310 nan 0.000 0.469 390 K N 1.024 121.399 120.400 -0.041 0.000 2.103 390 K HA -0.118 4.203 4.320 0.001 0.000 0.204 390 K C 1.305 177.920 176.600 0.024 0.000 1.052 390 K CA 1.392 57.628 56.287 -0.086 0.000 0.945 390 K CB -0.113 32.235 32.500 -0.254 0.000 0.722 390 K HN 0.128 nan 8.250 nan 0.000 0.443 391 D N 0.456 120.963 120.400 0.179 0.000 2.133 391 D HA -0.167 4.474 4.640 0.001 0.000 0.195 391 D C 1.909 178.230 176.300 0.035 0.000 0.997 391 D CA 1.156 55.277 54.000 0.201 0.000 0.840 391 D CB -0.128 40.820 40.800 0.246 0.000 0.947 391 D HN 0.056 nan 8.370 nan 0.000 0.452 392 V N 1.307 121.221 119.914 -0.001 0.000 2.283 392 V HA -0.176 3.944 4.120 0.001 0.000 0.243 392 V C 2.470 178.559 176.094 -0.009 0.000 1.039 392 V CA 0.783 63.067 62.300 -0.027 0.000 1.016 392 V CB -0.174 31.622 31.823 -0.044 0.000 0.650 392 V HN 0.130 nan 8.190 nan 0.000 0.449 393 I N 0.581 121.141 120.570 -0.017 0.000 2.163 393 I HA -0.238 3.933 4.170 0.001 0.000 0.243 393 I C 2.274 178.383 176.117 -0.013 0.000 1.085 393 I CA 1.810 63.098 61.300 -0.019 0.000 1.347 393 I CB -1.414 36.562 38.000 -0.041 0.000 1.044 393 I HN 0.358 nan 8.210 nan 0.000 0.408 394 D N 0.304 120.694 120.400 -0.015 0.000 2.218 394 D HA -0.116 4.525 4.640 0.001 0.000 0.204 394 D C 2.114 178.423 176.300 0.015 0.000 0.976 394 D CA 1.237 55.236 54.000 -0.002 0.000 0.853 394 D CB -0.146 40.659 40.800 0.009 0.000 0.939 394 D HN 0.323 nan 8.370 nan 0.000 0.481 395 T N 0.388 114.950 114.554 0.015 0.000 2.942 395 T HA 0.014 4.365 4.350 0.001 0.000 0.265 395 T C 2.067 176.784 174.700 0.028 0.000 1.062 395 T CA 0.502 62.613 62.100 0.018 0.000 1.139 395 T CB 0.064 68.935 68.868 0.005 0.000 0.883 395 T HN 0.126 nan 8.240 nan 0.000 0.468 396 M N 0.536 120.152 119.600 0.026 0.000 2.200 396 M HA -0.013 4.468 4.480 0.001 0.000 0.265 396 M C 2.290 178.605 176.300 0.026 0.000 1.066 396 M CA 1.415 56.735 55.300 0.033 0.000 1.127 396 M CB -0.221 32.398 32.600 0.031 0.000 1.379 396 M HN 0.111 nan 8.290 nan 0.000 0.420 397 K N 0.381 120.791 120.400 0.017 0.000 2.097 397 K HA -0.158 4.163 4.320 0.001 0.000 0.206 397 K C 1.888 178.498 176.600 0.018 0.000 1.049 397 K CA 1.302 57.597 56.287 0.013 0.000 0.933 397 K CB -0.061 32.442 32.500 0.005 0.000 0.717 397 K HN 0.335 nan 8.250 nan 0.000 0.442 398 K N 0.700 121.113 120.400 0.020 0.000 2.057 398 K HA -0.119 4.202 4.320 0.001 0.000 0.206 398 K C 1.433 178.048 176.600 0.025 0.000 1.050 398 K CA 1.460 57.760 56.287 0.022 0.000 0.935 398 K CB -0.035 32.480 32.500 0.024 0.000 0.715 398 K HN 0.050 nan 8.250 nan 0.000 0.439 399 D N -0.206 120.213 120.400 0.031 0.000 2.371 399 D HA -0.059 4.582 4.640 0.001 0.000 0.221 399 D C 1.134 177.454 176.300 0.033 0.000 0.986 399 D CA 0.909 54.931 54.000 0.037 0.000 0.899 399 D CB 0.286 41.116 40.800 0.049 0.000 0.902 399 D HN 0.241 nan 8.370 nan 0.000 0.530 400 S N -3.601 112.117 115.700 0.029 0.000 2.700 400 S HA 0.349 4.820 4.470 0.001 0.000 0.272 400 S C 1.761 176.374 174.600 0.021 0.000 1.052 400 S CA 0.371 58.587 58.200 0.026 0.000 1.317 400 S CB 0.579 63.797 63.200 0.032 0.000 1.212 400 S HN 0.188 nan 8.310 nan 0.000 0.675 401 G N 2.785 111.596 108.800 0.018 0.000 2.562 401 G HA2 -0.335 3.626 3.960 0.001 0.000 0.241 401 G HA3 -0.335 3.626 3.960 0.001 0.000 0.241 401 G C 0.251 175.159 174.900 0.013 0.000 1.120 401 G CA 0.283 45.392 45.100 0.014 0.000 0.673 401 G HN 0.721 nan 8.290 nan 0.000 0.519 402 I N 2.651 123.231 120.570 0.016 0.000 3.311 402 I HA -0.071 4.100 4.170 0.001 0.000 0.304 402 I C 0.770 176.894 176.117 0.010 0.000 1.245 402 I CA 0.408 61.717 61.300 0.015 0.000 1.369 402 I CB -0.027 37.985 38.000 0.021 0.000 1.433 402 I HN 0.279 nan 8.210 nan 0.000 0.525 403 D N 7.840 128.244 120.400 0.007 0.000 2.443 403 D HA 0.150 4.791 4.640 0.001 0.000 0.239 403 D C -0.175 176.125 176.300 -0.000 0.000 1.136 403 D CA 0.144 54.145 54.000 0.002 0.000 0.879 403 D CB 0.856 41.656 40.800 0.000 0.000 1.195 403 D HN 0.338 nan 8.370 nan 0.000 0.443 404 I N 6.265 126.832 120.570 -0.005 0.000 2.388 404 I HA 0.155 4.326 4.170 0.001 0.000 0.281 404 I C -1.343 174.767 176.117 -0.012 0.000 1.046 404 I CA -1.493 59.803 61.300 -0.008 0.000 1.187 404 I CB 1.856 39.850 38.000 -0.011 0.000 1.351 404 I HN 0.294 nan 8.210 nan 0.000 0.472 405 P HA 0.109 nan 4.420 nan 0.000 0.239 405 P C -0.036 177.258 177.300 -0.009 0.000 1.188 405 P CA 0.380 63.474 63.100 -0.010 0.000 0.794 405 P CB 1.135 32.831 31.700 -0.007 0.000 0.937 406 L N -0.205 121.013 121.223 -0.007 0.000 2.359 406 L HA 0.706 5.047 4.340 0.001 0.000 0.256 406 L C -1.827 175.042 176.870 -0.002 0.000 1.026 406 L CA -1.361 53.478 54.840 -0.003 0.000 0.828 406 L CB 2.214 44.271 42.059 -0.004 0.000 1.406 406 L HN -0.218 nan 8.230 nan 0.000 0.413 407 L N 2.297 123.524 121.223 0.007 0.000 2.596 407 L HA 0.490 4.831 4.340 0.001 0.000 0.265 407 L C -1.201 175.683 176.870 0.024 0.000 0.962 407 L CA -0.286 54.559 54.840 0.008 0.000 0.891 407 L CB 1.400 43.462 42.059 0.005 0.000 1.248 407 L HN 0.591 nan 8.230 nan 0.000 0.410 408 K N 3.698 124.105 120.400 0.012 0.000 2.237 408 K HA 0.717 5.038 4.320 0.001 0.000 0.270 408 K C -0.584 176.039 176.600 0.037 0.000 1.015 408 K CA -0.451 55.849 56.287 0.021 0.000 0.949 408 K CB 1.655 34.149 32.500 -0.011 0.000 0.976 408 K HN 0.500 nan 8.250 nan 0.000 0.472 409 V N -1.166 118.793 119.914 0.076 0.000 3.007 409 V HA 0.663 4.784 4.120 0.001 0.000 0.311 409 V C -1.314 174.855 176.094 0.125 0.000 1.120 409 V CA -0.866 61.506 62.300 0.120 0.000 0.980 409 V CB 2.000 33.979 31.823 0.260 0.000 1.033 409 V HN 1.015 nan 8.190 nan 0.000 0.429 410 D N 0.271 120.755 120.400 0.139 0.000 2.838 410 D HA 0.821 5.462 4.640 0.001 0.000 0.334 410 D C 0.006 176.412 176.300 0.176 0.000 1.315 410 D CA -0.032 54.046 54.000 0.130 0.000 0.917 410 D CB 1.102 41.944 40.800 0.070 0.000 1.435 410 D HN 2.137 nan 8.370 nan 0.000 0.517 411 G N -2.244 106.643 108.800 0.145 0.000 2.663 411 G HA2 0.374 4.335 3.960 0.001 0.000 0.686 411 G HA3 0.374 4.335 3.960 0.001 0.000 0.686 411 G C 0.734 175.730 174.900 0.160 0.000 1.246 411 G CA 0.110 45.308 45.100 0.164 0.000 0.795 411 G HN 1.217 nan 8.290 nan 0.000 0.627 412 G N 0.441 109.326 108.800 0.141 0.000 2.491 412 G HA2 0.198 4.159 3.960 0.001 0.000 0.218 412 G HA3 0.198 4.159 3.960 0.001 0.000 0.218 412 G C 2.168 177.125 174.900 0.096 0.000 1.180 412 G CA 2.675 47.841 45.100 0.110 0.000 0.774 412 G HN 2.189 nan 8.290 nan 0.000 0.562 413 A N 0.580 123.471 122.820 0.119 0.000 2.272 413 A HA 0.373 4.694 4.320 0.001 0.000 0.213 413 A C 2.403 179.958 177.584 -0.049 0.000 1.183 413 A CA 1.790 53.858 52.037 0.052 0.000 0.719 413 A CB -0.374 18.681 19.000 0.092 0.000 0.771 413 A HN 0.824 nan 8.150 nan 0.000 0.484 414 A N -0.687 122.149 122.820 0.026 0.000 2.251 414 A HA 0.140 4.460 4.320 0.001 0.000 0.209 414 A C 1.803 179.376 177.584 -0.018 0.000 1.187 414 A CA 0.917 52.936 52.037 -0.031 0.000 0.823 414 A CB -0.283 18.799 19.000 0.135 0.000 0.846 414 A HN 0.484 nan 8.150 nan 0.000 0.486 415 K N 0.452 120.857 120.400 0.009 0.000 2.439 415 K HA -0.070 4.251 4.320 0.001 0.000 0.197 415 K C 0.297 176.898 176.600 0.002 0.000 1.041 415 K CA 0.230 56.533 56.287 0.026 0.000 0.970 415 K CB -0.081 32.439 32.500 0.034 0.000 0.773 415 K HN 0.392 nan 8.250 nan 0.000 0.479 416 N N 2.024 120.691 118.700 -0.055 0.000 2.415 416 N HA -0.031 4.709 4.740 0.001 0.000 0.250 416 N C -0.474 174.971 175.510 -0.109 0.000 1.127 416 N CA 0.184 53.188 53.050 -0.076 0.000 0.945 416 N CB 1.075 39.492 38.487 -0.115 0.000 1.196 416 N HN 0.067 nan 8.380 nan 0.000 0.499 417 D N 3.127 123.517 120.400 -0.016 0.000 2.123 417 D HA -0.158 4.483 4.640 0.001 0.000 0.196 417 D C 1.796 178.058 176.300 -0.064 0.000 0.992 417 D CA 1.163 55.193 54.000 0.050 0.000 0.833 417 D CB 0.252 41.164 40.800 0.187 0.000 0.954 417 D HN 0.536 nan 8.370 nan 0.000 0.455 418 L N -0.188 121.004 121.223 -0.051 0.000 2.017 418 L HA -0.150 4.191 4.340 0.001 0.000 0.208 418 L C 2.288 179.087 176.870 -0.118 0.000 1.073 418 L CA 0.512 55.316 54.840 -0.059 0.000 0.745 418 L CB -0.408 41.617 42.059 -0.057 0.000 0.894 418 L HN 0.128 nan 8.230 nan 0.000 0.432 419 L N -0.619 120.501 121.223 -0.172 0.000 2.079 419 L HA -0.216 4.125 4.340 0.001 0.000 0.210 419 L C 2.446 179.149 176.870 -0.278 0.000 1.081 419 L CA 1.848 56.567 54.840 -0.200 0.000 0.752 419 L CB -0.481 41.429 42.059 -0.249 0.000 0.896 419 L HN 0.197 nan 8.230 nan 0.000 0.433 420 M N -1.355 117.963 119.600 -0.470 0.000 2.229 420 M HA -0.146 4.335 4.480 0.001 0.000 0.264 420 M C 2.224 178.113 176.300 -0.685 0.000 1.063 420 M CA 1.288 56.141 55.300 -0.745 0.000 1.114 420 M CB -1.069 30.727 32.600 -1.340 0.000 1.387 420 M HN 0.376 nan 8.290 nan 0.000 0.420 421 Q N 0.030 119.548 119.800 -0.470 0.000 2.123 421 Q HA -0.099 4.242 4.340 0.001 0.000 0.199 421 Q C 1.837 177.800 176.000 -0.063 0.000 0.966 421 Q CA 1.419 57.147 55.803 -0.126 0.000 0.845 421 Q CB -0.498 28.274 28.738 0.056 0.000 0.907 421 Q HN 0.386 nan 8.270 nan 0.000 0.439 422 F N 0.743 120.567 119.950 -0.210 0.000 2.102 422 F HA -0.165 4.363 4.527 0.001 0.000 0.298 422 F C 2.206 177.870 175.800 -0.227 0.000 1.105 422 F CA 1.902 59.781 58.000 -0.202 0.000 1.239 422 F CB -0.521 38.337 39.000 -0.236 0.000 0.991 422 F HN 0.189 nan 8.300 nan 0.000 0.474 423 Q N 0.857 120.515 119.800 -0.237 0.000 2.112 423 Q HA -0.180 4.161 4.340 0.001 0.000 0.206 423 Q C 2.103 177.938 176.000 -0.274 0.000 0.987 423 Q CA 2.361 57.989 55.803 -0.291 0.000 0.858 423 Q CB -0.783 27.826 28.738 -0.216 0.000 0.905 423 Q HN 0.454 nan 8.270 nan 0.000 0.420 424 A N -0.112 122.584 122.820 -0.207 0.000 1.970 424 A HA -0.101 4.220 4.320 0.001 0.000 0.216 424 A C 1.739 179.229 177.584 -0.156 0.000 1.170 424 A CA 1.364 53.324 52.037 -0.128 0.000 0.645 424 A CB -0.408 18.577 19.000 -0.025 0.000 0.816 424 A HN 0.420 nan 8.150 nan 0.000 0.447 425 D N 0.401 120.678 120.400 -0.204 0.000 2.144 425 D HA -0.128 4.512 4.640 0.001 0.000 0.200 425 D C 1.925 178.063 176.300 -0.271 0.000 0.978 425 D CA 1.724 55.606 54.000 -0.196 0.000 0.833 425 D CB -0.320 40.382 40.800 -0.162 0.000 0.961 425 D HN 0.729 nan 8.370 nan 0.000 0.470 426 I N -2.257 118.042 120.570 -0.453 0.000 2.716 426 I HA -0.017 4.154 4.170 0.001 0.000 0.259 426 I C 2.093 178.016 176.117 -0.323 0.000 1.172 426 I CA 0.549 61.596 61.300 -0.422 0.000 1.478 426 I CB -0.219 37.403 38.000 -0.631 0.000 1.104 426 I HN -0.139 nan 8.210 nan 0.000 0.439 427 L N 0.987 122.039 121.223 -0.284 0.000 2.131 427 L HA -0.052 4.288 4.340 0.001 0.000 0.206 427 L C 0.670 177.446 176.870 -0.157 0.000 1.087 427 L CA 1.178 55.889 54.840 -0.214 0.000 0.767 427 L CB -0.400 41.562 42.059 -0.162 0.000 0.917 427 L HN 0.396 nan 8.230 nan 0.000 0.441 428 D N 0.068 120.387 120.400 -0.135 0.000 2.809 428 D HA -0.181 4.460 4.640 0.001 0.000 0.234 428 D C -0.425 175.838 176.300 -0.063 0.000 1.111 428 D CA 0.799 54.745 54.000 -0.089 0.000 0.726 428 D CB -0.960 39.791 40.800 -0.083 0.000 1.089 428 D HN 0.456 nan 8.370 nan 0.000 0.436 429 I N -4.192 116.343 120.570 -0.057 0.000 3.195 429 I HA 0.568 4.739 4.170 0.001 0.000 0.313 429 I C -0.660 175.448 176.117 -0.015 0.000 1.237 429 I CA -1.125 60.155 61.300 -0.034 0.000 0.963 429 I CB 1.866 39.843 38.000 -0.037 0.000 1.278 429 I HN -0.296 nan 8.210 nan 0.000 0.460 430 D N 2.342 122.742 120.400 0.001 0.000 2.341 430 D HA 0.452 5.093 4.640 0.001 0.000 0.245 430 D C -0.645 175.680 176.300 0.042 0.000 1.106 430 D CA 0.030 54.046 54.000 0.027 0.000 0.905 430 D CB 2.488 43.300 40.800 0.020 0.000 1.202 430 D HN 0.307 nan 8.370 nan 0.000 0.426 431 V N 2.063 122.033 119.914 0.093 0.000 2.483 431 V HA 0.205 4.326 4.120 0.001 0.000 0.297 431 V C -0.195 176.012 176.094 0.188 0.000 1.027 431 V CA -0.724 61.644 62.300 0.115 0.000 0.855 431 V CB 1.786 33.662 31.823 0.088 0.000 0.995 431 V HN 0.408 nan 8.190 nan 0.000 0.424 432 Q N 4.301 124.178 119.800 0.130 0.000 2.368 432 Q HA 0.484 4.825 4.340 0.001 0.000 0.263 432 Q C -0.252 175.827 176.000 0.132 0.000 1.009 432 Q CA -0.647 55.229 55.803 0.121 0.000 0.818 432 Q CB 1.410 30.179 28.738 0.052 0.000 1.239 432 Q HN 0.739 nan 8.270 nan 0.000 0.464 433 R N 2.301 122.914 120.500 0.189 0.000 2.390 433 R HA 0.508 4.849 4.340 0.001 0.000 0.291 433 R C -0.662 175.700 176.300 0.102 0.000 1.070 433 R CA -0.012 56.190 56.100 0.169 0.000 1.014 433 R CB 0.884 31.337 30.300 0.256 0.000 1.007 433 R HN 0.688 nan 8.270 nan 0.000 0.466 434 A N 3.242 126.111 122.820 0.081 0.000 2.445 434 A HA 0.296 4.617 4.320 0.001 0.000 0.242 434 A C 1.256 178.874 177.584 0.057 0.000 1.075 434 A CA 0.438 52.506 52.037 0.052 0.000 0.777 434 A CB 0.409 19.433 19.000 0.040 0.000 1.013 434 A HN 1.041 nan 8.150 nan 0.000 0.493 435 A N 2.218 125.063 122.820 0.043 0.000 1.873 435 A HA -0.142 4.179 4.320 0.001 0.000 0.218 435 A C 0.933 178.553 177.584 0.060 0.000 1.193 435 A CA 2.017 54.082 52.037 0.046 0.000 0.629 435 A CB -0.856 18.169 19.000 0.041 0.000 0.826 435 A HN 1.269 nan 8.150 nan 0.000 0.447 436 N N -1.717 117.023 118.700 0.066 0.000 2.354 436 N HA 0.501 5.242 4.740 0.001 0.000 0.287 436 N C 0.087 175.644 175.510 0.078 0.000 1.016 436 N CA -0.607 52.491 53.050 0.080 0.000 0.871 436 N CB 1.249 39.798 38.487 0.105 0.000 1.299 436 N HN 0.091 nan 8.380 nan 0.000 0.482 437 L N -0.604 120.668 121.223 0.081 0.000 2.189 437 L HA -0.129 4.212 4.340 0.001 0.000 0.214 437 L C 1.045 177.966 176.870 0.085 0.000 1.097 437 L CA 1.228 56.120 54.840 0.086 0.000 0.764 437 L CB -0.336 41.777 42.059 0.089 0.000 0.900 437 L HN 0.698 nan 8.230 nan 0.000 0.436 438 E N 0.679 120.934 120.200 0.092 0.000 2.148 438 E HA -0.036 4.315 4.350 0.001 0.000 0.308 438 E C 1.266 177.914 176.600 0.079 0.000 1.278 438 E CA 0.160 56.620 56.400 0.099 0.000 1.368 438 E CB -0.093 29.682 29.700 0.124 0.000 1.229 438 E HN 0.254 nan 8.360 nan 0.000 0.494 439 T N -1.503 113.074 114.554 0.038 0.000 3.088 439 T HA -0.033 4.318 4.350 0.001 0.000 0.259 439 T C 1.507 176.185 174.700 -0.037 0.000 1.122 439 T CA 0.967 63.052 62.100 -0.026 0.000 1.095 439 T CB 0.059 68.911 68.868 -0.027 0.000 0.930 439 T HN 0.172 nan 8.240 nan 0.000 0.508 440 T N 1.978 116.542 114.554 0.018 0.000 2.732 440 T HA 0.209 4.560 4.350 0.001 0.000 0.261 440 T C 2.433 177.152 174.700 0.032 0.000 1.040 440 T CA 1.186 63.303 62.100 0.027 0.000 1.145 440 T CB -0.776 68.124 68.868 0.053 0.000 0.866 440 T HN 0.572 nan 8.240 nan 0.000 0.427 441 A N 0.928 123.797 122.820 0.081 0.000 2.019 441 A HA 0.027 4.348 4.320 0.001 0.000 0.219 441 A C 2.190 179.839 177.584 0.108 0.000 1.164 441 A CA 1.025 53.152 52.037 0.149 0.000 0.644 441 A CB -0.679 18.456 19.000 0.226 0.000 0.805 441 A HN 0.387 nan 8.150 nan 0.000 0.449 442 L N -0.115 121.067 121.223 -0.068 0.000 2.056 442 L HA 0.030 4.371 4.340 0.001 0.000 0.207 442 L C 2.428 178.903 176.870 -0.657 0.000 1.078 442 L CA 2.126 56.649 54.840 -0.528 0.000 0.749 442 L CB -0.952 40.784 42.059 -0.540 0.000 0.901 442 L HN 0.299 nan 8.230 nan 0.000 0.433 443 G N -1.266 107.336 108.800 -0.330 0.000 2.422 443 G HA2 -0.223 3.738 3.960 0.001 0.000 0.218 443 G HA3 -0.223 3.738 3.960 0.001 0.000 0.218 443 G C 1.593 176.503 174.900 0.017 0.000 1.146 443 G CA 0.718 45.756 45.100 -0.104 0.000 0.769 443 G HN 0.593 nan 8.290 nan 0.000 0.547 444 A N 1.163 123.984 122.820 0.002 0.000 1.898 444 A HA 0.308 4.628 4.320 0.001 0.000 0.216 444 A C 2.798 180.448 177.584 0.109 0.000 1.181 444 A CA 2.116 54.187 52.037 0.056 0.000 0.620 444 A CB -0.714 18.332 19.000 0.078 0.000 0.819 444 A HN 0.721 nan 8.150 nan 0.000 0.442 445 A N -1.239 121.635 122.820 0.090 0.000 1.933 445 A HA -0.052 4.269 4.320 0.001 0.000 0.218 445 A C 2.084 179.932 177.584 0.440 0.000 1.175 445 A CA 1.513 53.684 52.037 0.223 0.000 0.628 445 A CB -0.743 18.343 19.000 0.144 0.000 0.814 445 A HN 0.532 nan 8.150 nan 0.000 0.444 446 Y N 0.095 120.496 120.300 0.170 0.000 2.181 446 Y HA -0.119 4.431 4.550 0.001 0.000 0.288 446 Y C 2.233 178.314 175.900 0.302 0.000 1.146 446 Y CA 0.689 58.885 58.100 0.160 0.000 1.164 446 Y CB -1.071 37.455 38.460 0.110 0.000 0.982 446 Y HN 0.199 nan 8.280 nan 0.000 0.515 447 L N -0.855 120.570 121.223 0.337 0.000 2.046 447 L HA -0.224 4.117 4.340 0.001 0.000 0.208 447 L C 2.644 179.605 176.870 0.152 0.000 1.077 447 L CA 1.286 56.184 54.840 0.096 0.000 0.747 447 L CB -0.822 41.173 42.059 -0.107 0.000 0.896 447 L HN 0.154 nan 8.230 nan 0.000 0.432 448 A N 0.121 123.057 122.820 0.192 0.000 1.897 448 A HA -0.063 4.258 4.320 0.001 0.000 0.215 448 A C 2.408 180.103 177.584 0.184 0.000 1.181 448 A CA 1.479 53.604 52.037 0.147 0.000 0.620 448 A CB -1.199 17.875 19.000 0.124 0.000 0.821 448 A HN 0.426 nan 8.150 nan 0.000 0.443 449 G N 0.129 109.152 108.800 0.373 0.000 2.446 449 G HA2 -0.204 3.756 3.960 0.001 0.000 0.217 449 G HA3 -0.204 3.756 3.960 0.001 0.000 0.217 449 G C 1.529 176.676 174.900 0.412 0.000 1.168 449 G CA 1.121 46.493 45.100 0.455 0.000 0.771 449 G HN 0.436 nan 8.290 nan 0.000 0.551 450 L N 0.676 122.150 121.223 0.420 0.000 2.131 450 L HA -0.034 4.307 4.340 0.001 0.000 0.210 450 L C 3.339 180.295 176.870 0.143 0.000 1.092 450 L CA 0.870 55.869 54.840 0.265 0.000 0.759 450 L CB -0.349 41.838 42.059 0.214 0.000 0.903 450 L HN 0.312 nan 8.230 nan 0.000 0.435 451 A N -0.031 122.851 122.820 0.104 0.000 1.969 451 A HA -0.083 4.238 4.320 0.001 0.000 0.218 451 A C 1.944 179.538 177.584 0.017 0.000 1.169 451 A CA 1.620 53.671 52.037 0.023 0.000 0.635 451 A CB -0.459 18.518 19.000 -0.038 0.000 0.810 451 A HN 0.337 nan 8.150 nan 0.000 0.445 452 V N -4.498 115.443 119.914 0.045 0.000 3.376 452 V HA 0.574 4.695 4.120 0.001 0.000 0.313 452 V C 1.160 177.287 176.094 0.055 0.000 1.393 452 V CA 0.447 62.764 62.300 0.029 0.000 1.125 452 V CB -0.754 31.071 31.823 0.003 0.000 1.037 452 V HN 1.366 nan 8.190 nan 0.000 0.440 453 G N 0.270 109.118 108.800 0.080 0.000 2.153 453 G HA2 -0.376 3.585 3.960 0.001 0.000 0.252 453 G HA3 -0.376 3.585 3.960 0.001 0.000 0.252 453 G C 0.348 175.279 174.900 0.053 0.000 0.994 453 G CA 0.608 45.748 45.100 0.065 0.000 0.698 453 G HN 0.598 nan 8.290 nan 0.000 0.521 454 F N -0.068 119.792 119.950 -0.150 0.000 2.269 454 F HA 0.287 4.814 4.527 -0.001 0.000 0.301 454 F C 1.042 176.526 175.800 -0.527 0.000 1.082 454 F CA 0.869 58.625 58.000 -0.407 0.000 1.360 454 F CB 0.145 38.779 39.000 -0.611 0.000 1.041 454 F HN 0.279 nan 8.300 nan 0.000 0.512 455 W N 0.689 122.028 121.300 0.065 0.000 2.883 455 W HA 0.261 4.925 4.660 0.006 0.000 0.335 455 W C 1.052 177.549 176.519 -0.036 0.000 1.083 455 W CA -1.288 56.031 57.345 -0.043 0.000 1.233 455 W CB 1.300 30.742 29.460 -0.029 0.000 1.412 455 W HN -0.294 nan 8.180 nan 0.000 0.490 456 K N 0.650 121.137 120.400 0.144 0.000 2.002 456 K HA -0.203 4.117 4.320 0.001 0.000 0.209 456 K C 0.148 176.780 176.600 0.053 0.000 1.048 456 K CA 2.400 58.726 56.287 0.065 0.000 0.930 456 K CB 0.306 32.821 32.500 0.025 0.000 0.714 456 K HN 0.655 nan 8.250 nan 0.000 0.438 457 D N -3.811 116.605 120.400 0.025 0.000 3.182 457 D HA 0.017 4.658 4.640 0.001 0.000 0.352 457 D C 0.718 176.935 176.300 -0.138 0.000 1.421 457 D CA -0.697 53.283 54.000 -0.035 0.000 0.912 457 D CB 0.004 40.778 40.800 -0.043 0.000 1.461 457 D HN -0.119 nan 8.370 nan 0.000 0.548 458 L N -0.185 120.904 121.223 -0.225 0.000 2.083 458 L HA -0.069 4.272 4.340 0.001 0.000 0.209 458 L C 1.343 178.033 176.870 -0.300 0.000 1.083 458 L CA 1.498 56.087 54.840 -0.419 0.000 0.752 458 L CB -0.551 41.153 42.059 -0.593 0.000 0.899 458 L HN 0.448 nan 8.230 nan 0.000 0.433 459 D N -0.093 120.198 120.400 -0.181 0.000 2.178 459 D HA -0.215 4.426 4.640 0.001 0.000 0.201 459 D C 2.001 178.229 176.300 -0.121 0.000 0.980 459 D CA 1.133 55.061 54.000 -0.120 0.000 0.842 459 D CB 0.150 40.904 40.800 -0.077 0.000 0.948 459 D HN 0.435 nan 8.370 nan 0.000 0.472 460 E N 0.335 120.458 120.200 -0.129 0.000 2.107 460 E HA -0.089 4.262 4.350 0.001 0.000 0.191 460 E C 2.365 178.824 176.600 -0.235 0.000 0.982 460 E CA 0.254 56.584 56.400 -0.116 0.000 0.809 460 E CB 0.110 29.789 29.700 -0.034 0.000 0.756 460 E HN 0.221 nan 8.360 nan 0.000 0.459 461 L N 0.554 121.547 121.223 -0.383 0.000 2.056 461 L HA -0.163 4.178 4.340 0.001 0.000 0.207 461 L C 2.555 179.210 176.870 -0.358 0.000 1.078 461 L CA 1.087 55.549 54.840 -0.630 0.000 0.749 461 L CB -0.351 41.194 42.059 -0.856 0.000 0.901 461 L HN 0.043 nan 8.230 nan 0.000 0.433 462 K N -0.047 120.239 120.400 -0.190 0.000 2.020 462 K HA -0.170 4.151 4.320 0.001 0.000 0.212 462 K C 2.242 178.783 176.600 -0.099 0.000 1.050 462 K CA 1.864 58.096 56.287 -0.091 0.000 0.929 462 K CB -0.267 32.210 32.500 -0.038 0.000 0.714 462 K HN 0.127 nan 8.250 nan 0.000 0.443 463 S N 0.896 116.538 115.700 -0.096 0.000 2.440 463 S HA -0.109 4.362 4.470 0.001 0.000 0.238 463 S C 1.551 176.111 174.600 -0.068 0.000 1.010 463 S CA 0.949 59.108 58.200 -0.067 0.000 0.972 463 S CB -0.063 63.105 63.200 -0.054 0.000 0.774 463 S HN 0.296 nan 8.310 nan 0.000 0.501 464 M N 1.157 120.689 119.600 -0.112 0.000 2.633 464 M HA 0.213 4.694 4.480 0.001 0.000 0.226 464 M C 0.744 177.003 176.300 -0.067 0.000 1.137 464 M CA -0.324 54.919 55.300 -0.096 0.000 1.020 464 M CB -0.389 32.095 32.600 -0.193 0.000 1.675 464 M HN 0.281 nan 8.290 nan 0.000 0.500 465 A N 1.172 123.952 122.820 -0.067 0.000 2.275 465 A HA 0.153 4.474 4.320 0.001 0.000 0.276 465 A C 0.088 177.663 177.584 -0.015 0.000 1.232 465 A CA 0.233 52.243 52.037 -0.044 0.000 0.814 465 A CB 0.228 19.197 19.000 -0.053 0.000 1.145 465 A HN 0.518 nan 8.150 nan 0.000 0.508 466 E N -1.154 119.039 120.200 -0.012 0.000 2.656 466 E HA 0.179 4.529 4.350 0.001 0.000 0.395 466 E C -0.942 175.656 176.600 -0.002 0.000 1.028 466 E CA 0.022 56.423 56.400 0.002 0.000 0.728 466 E CB 0.125 29.837 29.700 0.020 0.000 1.577 466 E HN 0.666 nan 8.360 nan 0.000 0.384 467 E N 1.700 121.894 120.200 -0.010 0.000 2.465 467 E HA 0.353 4.704 4.350 0.001 0.000 0.260 467 E C 0.176 176.772 176.600 -0.006 0.000 0.980 467 E CA 0.738 57.131 56.400 -0.012 0.000 0.927 467 E CB 0.504 30.194 29.700 -0.017 0.000 0.934 467 E HN 0.503 nan 8.360 nan 0.000 0.459 468 G N 2.678 111.477 108.800 -0.001 0.000 3.016 468 G HA2 0.187 4.148 3.960 0.001 0.000 0.270 468 G HA3 0.187 4.148 3.960 0.001 0.000 0.270 468 G C -0.854 174.036 174.900 -0.016 0.000 1.352 468 G CA -0.756 44.346 45.100 0.003 0.000 1.060 468 G HN 0.591 nan 8.290 nan 0.000 0.538 469 Q N -0.705 119.080 119.800 -0.024 0.000 2.398 469 Q HA 0.163 4.504 4.340 0.001 0.000 0.329 469 Q C -0.180 175.737 176.000 -0.138 0.000 1.079 469 Q CA 0.616 56.349 55.803 -0.116 0.000 1.041 469 Q CB 0.232 28.915 28.738 -0.092 0.000 1.084 469 Q HN 0.441 nan 8.270 nan 0.000 0.386 470 M N 4.936 124.379 119.600 -0.261 0.000 2.364 470 M HA 0.578 5.059 4.480 0.001 0.000 0.334 470 M C -1.896 174.181 176.300 -0.371 0.000 1.107 470 M CA -0.183 55.013 55.300 -0.173 0.000 0.988 470 M CB 1.039 33.580 32.600 -0.098 0.000 1.673 470 M HN 0.552 nan 8.290 nan 0.000 0.441 471 F N 2.131 122.073 119.950 -0.012 0.000 2.482 471 F HA 0.664 5.191 4.527 0.001 0.000 0.331 471 F C -0.091 175.696 175.800 -0.023 0.000 1.115 471 F CA -0.429 57.560 58.000 -0.017 0.000 0.955 471 F CB 2.371 41.360 39.000 -0.019 0.000 1.136 471 F HN 0.476 nan 8.300 nan 0.000 0.452 472 T N 3.763 118.396 114.554 0.132 0.000 2.863 472 T HA 0.432 4.782 4.350 0.001 0.000 0.285 472 T C -2.752 171.979 174.700 0.051 0.000 1.009 472 T CA -1.787 60.351 62.100 0.064 0.000 0.989 472 T CB 2.001 70.882 68.868 0.021 0.000 1.004 472 T HN 0.128 nan 8.240 nan 0.000 0.455 473 P HA 0.172 nan 4.420 nan 0.000 0.268 473 P C 0.287 177.590 177.300 0.004 0.000 1.205 473 P CA 0.021 63.118 63.100 -0.004 0.000 0.771 473 P CB 0.347 32.032 31.700 -0.025 0.000 0.858 474 E N 1.447 121.650 120.200 0.005 0.000 2.767 474 E HA 0.146 4.497 4.350 0.001 0.000 0.192 474 E C -0.241 176.367 176.600 0.012 0.000 0.938 474 E CA -0.275 56.133 56.400 0.012 0.000 1.312 474 E CB 0.001 29.714 29.700 0.023 0.000 1.072 474 E HN 0.295 nan 8.360 nan 0.000 0.511 475 M N 2.545 122.146 119.600 0.002 0.000 2.209 475 M HA 0.424 4.905 4.480 0.001 0.000 0.355 475 M C -2.502 173.803 176.300 0.008 0.000 1.171 475 M CA -1.830 53.475 55.300 0.009 0.000 1.069 475 M CB 1.002 33.599 32.600 -0.005 0.000 1.622 475 M HN -0.208 nan 8.290 nan 0.000 0.459 476 P HA 0.035 nan 4.420 nan 0.000 0.266 476 P C -0.330 176.982 177.300 0.021 0.000 1.193 476 P CA 0.105 63.217 63.100 0.020 0.000 0.770 476 P CB 0.564 32.280 31.700 0.028 0.000 0.836 477 A N 2.760 125.590 122.820 0.018 0.000 2.019 477 A HA -0.212 4.109 4.320 0.001 0.000 0.219 477 A C 1.860 179.464 177.584 0.034 0.000 1.164 477 A CA 1.888 53.936 52.037 0.019 0.000 0.644 477 A CB -0.926 18.084 19.000 0.015 0.000 0.805 477 A HN 0.749 nan 8.150 nan 0.000 0.449 478 E N -0.355 119.868 120.200 0.038 0.000 2.122 478 E HA -0.107 4.244 4.350 0.001 0.000 0.190 478 E C 1.841 178.481 176.600 0.067 0.000 0.977 478 E CA 1.003 57.432 56.400 0.049 0.000 0.820 478 E CB -0.389 29.337 29.700 0.043 0.000 0.770 478 E HN 0.677 nan 8.360 nan 0.000 0.462 479 E N 1.296 121.536 120.200 0.066 0.000 2.072 479 E HA -0.211 4.140 4.350 0.001 0.000 0.191 479 E C 2.272 178.941 176.600 0.114 0.000 0.985 479 E CA 1.464 57.917 56.400 0.088 0.000 0.801 479 E CB 0.025 29.772 29.700 0.078 0.000 0.750 479 E HN 0.416 nan 8.360 nan 0.000 0.452 480 R N 0.065 120.614 120.500 0.082 0.000 2.119 480 R HA -0.032 4.309 4.340 0.001 0.000 0.222 480 R C 1.549 177.936 176.300 0.145 0.000 1.088 480 R CA 1.475 57.627 56.100 0.085 0.000 0.984 480 R CB -0.277 30.017 30.300 -0.010 0.000 0.884 480 R HN 0.013 nan 8.270 nan 0.000 0.447 481 D N 0.990 121.461 120.400 0.118 0.000 2.104 481 D HA -0.131 4.510 4.640 0.001 0.000 0.194 481 D C 1.502 177.908 176.300 0.176 0.000 0.994 481 D CA 1.256 55.341 54.000 0.142 0.000 0.830 481 D CB -0.189 40.668 40.800 0.095 0.000 0.959 481 D HN 0.224 nan 8.370 nan 0.000 0.452 482 N N 0.122 118.914 118.700 0.153 0.000 2.058 482 N HA -0.081 4.660 4.740 0.001 0.000 0.191 482 N C 2.052 177.699 175.510 0.229 0.000 1.037 482 N CA 0.515 53.659 53.050 0.156 0.000 0.848 482 N CB -0.444 38.124 38.487 0.135 0.000 1.021 482 N HN 0.207 nan 8.380 nan 0.000 0.422 483 L N -0.152 121.254 121.223 0.305 0.000 1.997 483 L HA -0.266 4.075 4.340 0.001 0.000 0.216 483 L C 2.390 179.542 176.870 0.469 0.000 1.074 483 L CA 1.613 56.738 54.840 0.475 0.000 0.763 483 L CB -0.641 41.751 42.059 0.554 0.000 0.890 483 L HN 0.198 nan 8.230 nan 0.000 0.434 484 Y N 0.823 121.294 120.300 0.286 0.000 2.242 484 Y HA -0.264 4.286 4.550 0.001 0.000 0.291 484 Y C 2.576 178.528 175.900 0.086 0.000 1.137 484 Y CA 1.827 60.051 58.100 0.206 0.000 1.181 484 Y CB -0.159 38.414 38.460 0.189 0.000 0.989 484 Y HN 0.185 nan 8.280 nan 0.000 0.527 485 E N -0.264 119.959 120.200 0.039 0.000 2.077 485 E HA -0.104 4.247 4.350 0.001 0.000 0.193 485 E C 2.471 178.924 176.600 -0.245 0.000 0.989 485 E CA 1.635 57.967 56.400 -0.112 0.000 0.800 485 E CB -0.965 28.730 29.700 -0.010 0.000 0.746 485 E HN 0.485 nan 8.360 nan 0.000 0.452 486 G N 0.765 109.445 108.800 -0.200 0.000 2.418 486 G HA2 -0.290 3.670 3.960 0.001 0.000 0.217 486 G HA3 -0.290 3.670 3.960 0.001 0.000 0.217 486 G C 1.463 175.710 174.900 -1.089 0.000 1.158 486 G CA 0.800 45.610 45.100 -0.483 0.000 0.771 486 G HN 0.477 nan 8.290 nan 0.000 0.545 487 W N 1.571 122.141 121.300 -1.216 0.000 2.333 487 W HA -0.086 4.575 4.660 0.001 0.000 0.316 487 W C 2.256 178.327 176.519 -0.746 0.000 1.215 487 W CA 1.635 58.310 57.345 -1.118 0.000 1.278 487 W CB -0.220 28.619 29.460 -1.034 0.000 1.154 487 W HN 0.185 nan 8.180 nan 0.000 0.486 488 K N 0.151 120.124 120.400 -0.713 0.000 2.074 488 K HA -0.254 4.066 4.320 0.001 0.000 0.209 488 K C 2.198 178.422 176.600 -0.626 0.000 1.048 488 K CA 2.158 58.056 56.287 -0.649 0.000 0.926 488 K CB -0.408 31.813 32.500 -0.465 0.000 0.713 488 K HN 0.361 nan 8.250 nan 0.000 0.444 489 Q N -0.352 119.093 119.800 -0.591 0.000 2.123 489 Q HA -0.071 4.269 4.340 0.001 0.000 0.199 489 Q C 2.155 177.722 176.000 -0.722 0.000 0.966 489 Q CA 1.084 56.565 55.803 -0.537 0.000 0.845 489 Q CB -0.038 28.446 28.738 -0.423 0.000 0.907 489 Q HN 0.320 nan 8.270 nan 0.000 0.439 490 A N 0.550 122.829 122.820 -0.903 0.000 1.873 490 A HA -0.128 4.193 4.320 0.001 0.000 0.215 490 A C 2.325 179.347 177.584 -0.937 0.000 1.186 490 A CA 1.276 52.676 52.037 -1.063 0.000 0.616 490 A CB -0.679 17.863 19.000 -0.763 0.000 0.823 490 A HN 0.197 nan 8.150 nan 0.000 0.442 491 V N -0.087 119.221 119.914 -1.010 0.000 2.407 491 V HA -0.231 3.890 4.120 0.001 0.000 0.248 491 V C 3.004 178.722 176.094 -0.627 0.000 1.055 491 V CA 1.842 63.598 62.300 -0.907 0.000 1.049 491 V CB -1.204 29.903 31.823 -1.194 0.000 0.662 491 V HN 0.613 nan 8.190 nan 0.000 0.455 492 A N 0.040 122.527 122.820 -0.554 0.000 1.898 492 A HA -0.057 4.264 4.320 0.001 0.000 0.216 492 A C 2.427 179.820 177.584 -0.318 0.000 1.181 492 A CA 1.898 53.716 52.037 -0.365 0.000 0.620 492 A CB -0.697 18.117 19.000 -0.309 0.000 0.819 492 A HN 0.550 nan 8.150 nan 0.000 0.442 493 A N -0.884 121.664 122.820 -0.453 0.000 1.898 493 A HA -0.069 4.251 4.320 0.001 0.000 0.216 493 A C 2.271 179.781 177.584 -0.123 0.000 1.181 493 A CA 2.214 54.019 52.037 -0.385 0.000 0.620 493 A CB -1.231 17.258 19.000 -0.852 0.000 0.819 493 A HN 0.425 nan 8.150 nan 0.000 0.442 494 T N 0.150 114.626 114.554 -0.131 0.000 2.833 494 T HA -0.156 4.194 4.350 0.001 0.000 0.269 494 T C 1.893 176.619 174.700 0.043 0.000 1.054 494 T CA 1.623 63.772 62.100 0.082 0.000 1.135 494 T CB -0.232 68.625 68.868 -0.017 0.000 0.869 494 T HN 0.610 nan 8.240 nan 0.000 0.466 495 Q N 0.642 120.398 119.800 -0.073 0.000 2.369 495 Q HA -0.034 4.306 4.340 0.001 0.000 0.206 495 Q C 2.360 178.369 176.000 0.016 0.000 0.963 495 Q CA 1.235 57.013 55.803 -0.042 0.000 0.894 495 Q CB -0.160 28.517 28.738 -0.102 0.000 0.965 495 Q HN 0.666 nan 8.270 nan 0.000 0.475 496 T N -2.459 112.116 114.554 0.035 0.000 3.129 496 T HA 0.020 4.371 4.350 0.001 0.000 0.251 496 T C 0.083 174.872 174.700 0.148 0.000 1.117 496 T CA -0.203 61.934 62.100 0.061 0.000 1.034 496 T CB -0.106 68.784 68.868 0.036 0.000 0.968 496 T HN 0.069 nan 8.240 nan 0.000 0.526 497 F N 2.562 122.530 119.950 0.029 0.000 2.308 497 F HA 0.539 5.067 4.527 0.001 0.000 0.370 497 F C -0.100 175.743 175.800 0.072 0.000 1.100 497 F CA -1.330 56.706 58.000 0.059 0.000 1.108 497 F CB 0.871 39.911 39.000 0.067 0.000 1.293 497 F HN -0.200 nan 8.300 nan 0.000 0.478 498 K N 7.405 127.588 120.400 -0.362 0.000 3.202 498 K HA 0.096 4.416 4.320 0.001 0.000 0.206 498 K C -0.571 175.844 176.600 -0.309 0.000 1.142 498 K CA -0.479 55.642 56.287 -0.275 0.000 0.979 498 K CB 0.026 32.463 32.500 -0.106 0.000 0.863 498 K HN 0.502 nan 8.250 nan 0.000 0.479 499 F N 2.884 122.369 119.950 -0.775 0.000 2.623 499 F HA 0.117 4.645 4.527 0.001 0.000 0.383 499 F C 0.324 175.988 175.800 -0.225 0.000 1.077 499 F CA 0.252 57.972 58.000 -0.466 0.000 1.268 499 F CB 0.322 39.035 39.000 -0.479 0.000 1.053 499 F HN 0.211 nan 8.300 nan 0.000 0.571 500 K N 6.158 126.126 120.400 -0.719 0.000 2.626 500 K HA 0.801 5.122 4.320 0.001 0.000 0.223 500 K C -0.093 176.024 176.600 -0.805 0.000 0.992 500 K CA -0.259 55.644 56.287 -0.639 0.000 1.024 500 K CB 0.299 32.629 32.500 -0.283 0.000 1.225 500 K HN 1.132 nan 8.250 nan 0.000 0.498 501 A N 0.000 122.192 122.820 -1.047 0.000 2.254 501 A HA 0.000 4.321 4.320 0.001 0.000 0.244 501 A CA 0.000 51.685 52.037 -0.586 0.000 0.836 501 A CB 0.000 18.802 19.000 -0.330 0.000 0.831 501 A HN 0.000 nan 8.150 nan 0.000 0.486