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 3flc_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 VMNTGEEPXL 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 ATQTFKF 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 0.000 176.672 176.600 0.120 0.000 1.382 3 E CA 0.000 56.453 56.400 0.088 0.000 0.976 3 E CB 0.000 29.740 29.700 0.066 0.000 0.812 4 K N 2.500 122.957 120.400 0.096 0.000 2.155 4 K HA 0.279 4.599 4.320 -0.000 0.000 0.240 4 K C 0.049 176.727 176.600 0.129 0.000 1.193 4 K CA -0.102 56.254 56.287 0.114 0.000 1.104 4 K CB 0.047 32.597 32.500 0.083 0.000 1.558 4 K HN 0.252 nan 8.250 nan 0.000 0.313 5 N N 1.523 120.244 118.700 0.035 0.000 2.234 5 N HA 0.080 4.820 4.740 -0.000 0.000 0.227 5 N C -1.033 174.229 175.510 -0.413 0.000 1.151 5 N CA 0.126 53.086 53.050 -0.149 0.000 0.865 5 N CB 0.442 38.657 38.487 -0.453 0.000 1.066 5 N HN 0.313 nan 8.380 nan 0.000 0.515 6 Y N -0.780 119.584 120.300 0.107 0.000 2.588 6 Y HA 0.538 5.088 4.550 -0.000 0.000 0.343 6 Y C 0.026 175.611 175.900 -0.524 0.000 1.065 6 Y CA -1.395 56.654 58.100 -0.085 0.000 1.038 6 Y CB 1.529 40.019 38.460 0.050 0.000 1.297 6 Y HN -0.232 nan 8.280 nan 0.000 0.467 7 V N -0.188 119.585 119.914 -0.236 0.000 2.876 7 V HA 0.703 4.823 4.120 -0.000 0.000 0.312 7 V C -0.885 175.241 176.094 0.054 0.000 1.085 7 V CA -1.060 61.091 62.300 -0.249 0.000 0.945 7 V CB 2.082 33.673 31.823 -0.388 0.000 1.017 7 V HN 0.886 nan 8.190 nan 0.000 0.428 8 M N 3.452 123.069 119.600 0.028 0.000 2.456 8 M HA 0.889 5.369 4.480 -0.000 0.000 0.324 8 M C -0.529 175.829 176.300 0.096 0.000 1.124 8 M CA -0.579 54.748 55.300 0.044 0.000 0.959 8 M CB 1.852 34.447 32.600 -0.007 0.000 1.692 8 M HN 1.175 nan 8.290 nan 0.000 0.444 9 A N 5.755 128.657 122.820 0.137 0.000 2.343 9 A HA 0.780 5.100 4.320 -0.000 0.000 0.316 9 A C -1.240 176.394 177.584 0.085 0.000 1.104 9 A CA -0.723 51.404 52.037 0.151 0.000 0.768 9 A CB 0.883 20.059 19.000 0.293 0.000 1.213 9 A HN 0.898 nan 8.150 nan 0.000 0.456 10 I N 2.108 122.721 120.570 0.071 0.000 2.389 10 I HA 0.274 4.444 4.170 -0.000 0.000 0.288 10 I C -0.984 175.176 176.117 0.072 0.000 0.999 10 I CA -0.428 60.908 61.300 0.059 0.000 1.129 10 I CB 1.919 39.956 38.000 0.062 0.000 1.288 10 I HN 0.598 nan 8.210 nan 0.000 0.444 11 D N 6.589 127.036 120.400 0.079 0.000 2.460 11 D HA 0.076 4.716 4.640 -0.000 0.000 0.232 11 D C -0.435 175.933 176.300 0.113 0.000 1.079 11 D CA -0.345 53.712 54.000 0.095 0.000 0.864 11 D CB 1.084 41.945 40.800 0.102 0.000 1.048 11 D HN 0.268 nan 8.370 nan 0.000 0.523 12 Q N 3.131 123.003 119.800 0.120 0.000 2.423 12 Q HA 0.386 4.726 4.340 -0.000 0.000 0.235 12 Q C 0.051 176.179 176.000 0.213 0.000 1.100 12 Q CA -0.457 55.432 55.803 0.144 0.000 0.908 12 Q CB 0.729 29.538 28.738 0.118 0.000 1.312 12 Q HN 0.635 nan 8.270 nan 0.000 0.497 13 G N 1.874 110.837 108.800 0.271 0.000 2.563 13 G HA2 0.174 4.134 3.960 -0.000 0.000 0.283 13 G HA3 0.174 4.134 3.960 -0.000 0.000 0.283 13 G C 0.720 175.905 174.900 0.475 0.000 1.309 13 G CA -0.145 45.151 45.100 0.327 0.000 1.022 13 G HN 0.560 nan 8.290 nan 0.000 0.501 14 T N -0.541 114.306 114.554 0.489 0.000 2.857 14 T HA -0.086 4.264 4.350 -0.000 0.000 0.266 14 T C 2.385 177.266 174.700 0.302 0.000 1.048 14 T CA 2.045 64.503 62.100 0.596 0.000 1.139 14 T CB -0.194 69.084 68.868 0.684 0.000 0.874 14 T HN 0.707 nan 8.240 nan 0.000 0.455 15 T N -1.367 113.237 114.554 0.082 0.000 2.975 15 T HA 0.353 4.703 4.350 -0.000 0.000 0.257 15 T C 0.619 175.043 174.700 -0.460 0.000 1.003 15 T CA 0.109 62.026 62.100 -0.305 0.000 0.932 15 T CB 0.261 69.082 68.868 -0.079 0.000 1.087 15 T HN 0.392 nan 8.240 nan 0.000 0.512 16 S N -0.047 115.653 115.700 0.001 0.000 2.596 16 S HA 0.733 5.203 4.470 -0.000 0.000 0.270 16 S C -1.260 173.558 174.600 0.363 0.000 1.155 16 S CA -0.733 57.575 58.200 0.181 0.000 0.827 16 S CB 1.875 65.126 63.200 0.085 0.000 1.130 16 S HN 0.139 nan 8.310 nan 0.000 0.467 17 S N 0.458 116.339 115.700 0.302 0.000 2.537 17 S HA 0.761 5.231 4.470 -0.000 0.000 0.301 17 S C -0.603 174.063 174.600 0.111 0.000 1.092 17 S CA -0.919 57.394 58.200 0.187 0.000 1.048 17 S CB 1.085 64.350 63.200 0.110 0.000 1.053 17 S HN 0.677 nan 8.310 nan 0.000 0.501 18 R N 0.514 121.063 120.500 0.083 0.000 2.725 18 R HA 0.782 5.122 4.340 -0.000 0.000 0.277 18 R C -1.389 174.921 176.300 0.018 0.000 0.987 18 R CA -0.811 55.316 56.100 0.045 0.000 0.901 18 R CB 2.100 32.434 30.300 0.057 0.000 1.207 18 R HN 0.661 nan 8.270 nan 0.000 0.463 19 A N 3.085 125.890 122.820 -0.026 0.000 2.374 19 A HA 0.737 5.057 4.320 -0.000 0.000 0.305 19 A C -0.917 176.596 177.584 -0.120 0.000 1.053 19 A CA -0.623 51.376 52.037 -0.063 0.000 0.726 19 A CB 1.025 19.965 19.000 -0.101 0.000 1.229 19 A HN 0.625 nan 8.150 nan 0.000 0.431 20 I N 2.518 122.998 120.570 -0.149 0.000 2.619 20 I HA 0.410 4.580 4.170 -0.000 0.000 0.292 20 I C -0.920 174.954 176.117 -0.405 0.000 1.100 20 I CA -0.401 60.704 61.300 -0.325 0.000 1.043 20 I CB 2.208 39.950 38.000 -0.430 0.000 1.239 20 I HN 0.523 nan 8.210 nan 0.000 0.420 21 I N 5.444 125.748 120.570 -0.444 0.000 2.354 21 I HA 0.404 4.574 4.170 -0.000 0.000 0.292 21 I C -0.910 175.025 176.117 -0.304 0.000 0.989 21 I CA -0.338 60.794 61.300 -0.280 0.000 1.188 21 I CB 1.087 38.948 38.000 -0.232 0.000 1.342 21 I HN 0.314 nan 8.210 nan 0.000 0.457 22 F N 3.579 123.628 119.950 0.165 0.000 2.507 22 F HA 0.352 4.879 4.527 -0.000 0.000 0.327 22 F C 0.343 176.402 175.800 0.432 0.000 1.068 22 F CA -0.799 57.370 58.000 0.282 0.000 0.965 22 F CB 1.205 40.404 39.000 0.332 0.000 1.192 22 F HN 0.456 nan 8.300 nan 0.000 0.476 23 D N -0.101 120.695 120.400 0.659 0.000 2.478 23 D HA 0.236 4.876 4.640 -0.000 0.000 0.263 23 D C 0.910 177.562 176.300 0.586 0.000 1.153 23 D CA -0.749 53.572 54.000 0.535 0.000 1.038 23 D CB 0.517 41.556 40.800 0.398 0.000 1.120 23 D HN 0.480 nan 8.370 nan 0.000 0.564 24 R N -0.819 119.860 120.500 0.298 0.000 2.293 24 R HA -0.040 4.300 4.340 -0.000 0.000 0.219 24 R C 0.570 177.116 176.300 0.410 0.000 1.091 24 R CA 0.879 56.999 56.100 0.033 0.000 1.004 24 R CB -0.340 29.681 30.300 -0.464 0.000 0.865 24 R HN 0.494 nan 8.270 nan 0.000 0.469 25 N N -1.079 117.837 118.700 0.360 0.000 2.336 25 N HA 0.067 4.807 4.740 -0.000 0.000 0.189 25 N C 0.359 176.069 175.510 0.332 0.000 1.113 25 N CA 0.338 53.563 53.050 0.292 0.000 0.858 25 N CB 1.005 39.606 38.487 0.189 0.000 0.970 25 N HN 0.288 nan 8.380 nan 0.000 0.471 26 G N 1.160 110.275 108.800 0.524 0.000 2.143 26 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.248 26 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.248 26 G C -0.260 174.910 174.900 0.451 0.000 0.991 26 G CA 0.047 45.406 45.100 0.431 0.000 0.689 26 G HN 0.080 nan 8.290 nan 0.000 0.522 27 K N 0.431 121.110 120.400 0.465 0.000 2.156 27 K HA 0.350 4.670 4.320 -0.000 0.000 0.271 27 K C 0.486 177.316 176.600 0.384 0.000 0.995 27 K CA -0.795 55.720 56.287 0.380 0.000 0.890 27 K CB 1.570 34.222 32.500 0.253 0.000 1.073 27 K HN 0.353 nan 8.250 nan 0.000 0.454 28 K N 4.007 124.548 120.400 0.235 0.000 2.402 28 K HA 0.025 4.345 4.320 -0.000 0.000 0.285 28 K C 0.538 177.130 176.600 -0.013 0.000 1.054 28 K CA -0.117 56.138 56.287 -0.055 0.000 1.001 28 K CB 0.364 32.804 32.500 -0.100 0.000 0.946 28 K HN 0.359 nan 8.250 nan 0.000 0.473 29 I N 2.630 123.170 120.570 -0.051 0.000 3.265 29 I HA 0.158 4.328 4.170 -0.000 0.000 0.282 29 I C 1.068 177.133 176.117 -0.087 0.000 1.207 29 I CA 0.473 61.760 61.300 -0.022 0.000 1.449 29 I CB -0.151 37.843 38.000 -0.009 0.000 1.121 29 I HN 0.744 nan 8.210 nan 0.000 0.442 30 G N 0.472 109.181 108.800 -0.153 0.000 2.702 30 G HA2 0.530 4.489 3.960 -0.000 0.000 0.296 30 G HA3 0.530 4.489 3.960 -0.000 0.000 0.296 30 G C -1.182 173.605 174.900 -0.188 0.000 1.463 30 G CA -0.094 44.919 45.100 -0.144 0.000 0.890 30 G HN 0.150 nan 8.290 nan 0.000 0.534 31 S N -0.900 114.717 115.700 -0.138 0.000 2.579 31 S HA 0.894 5.364 4.470 -0.000 0.000 0.272 31 S C -0.895 173.654 174.600 -0.084 0.000 1.141 31 S CA -0.553 57.567 58.200 -0.133 0.000 0.843 31 S CB 2.047 65.175 63.200 -0.120 0.000 1.122 31 S HN 1.661 nan 8.310 nan 0.000 0.468 32 S N 0.148 115.805 115.700 -0.071 0.000 2.541 32 S HA 0.634 5.104 4.470 -0.000 0.000 0.271 32 S C -1.902 172.686 174.600 -0.020 0.000 1.133 32 S CA -0.450 57.724 58.200 -0.043 0.000 0.876 32 S CB 1.867 65.038 63.200 -0.049 0.000 1.105 32 S HN 0.894 nan 8.310 nan 0.000 0.470 33 Q N 2.157 121.956 119.800 -0.001 0.000 2.359 33 Q HA 0.602 4.942 4.340 -0.000 0.000 0.274 33 Q C -1.865 174.153 176.000 0.030 0.000 1.074 33 Q CA -0.679 55.138 55.803 0.023 0.000 0.810 33 Q CB 1.704 30.460 28.738 0.031 0.000 1.342 33 Q HN 0.652 nan 8.270 nan 0.000 0.427 34 K N 2.582 123.016 120.400 0.056 0.000 2.581 34 K HA 0.280 4.600 4.320 -0.000 0.000 0.249 34 K C -1.241 175.428 176.600 0.115 0.000 0.966 34 K CA -0.362 55.963 56.287 0.065 0.000 0.811 34 K CB 1.637 34.167 32.500 0.050 0.000 1.223 34 K HN 0.631 nan 8.250 nan 0.000 0.438 35 E N 2.781 123.019 120.200 0.064 0.000 2.374 35 E HA 0.249 4.599 4.350 -0.000 0.000 0.260 35 E C -0.534 176.114 176.600 0.080 0.000 1.101 35 E CA -0.267 56.133 56.400 0.001 0.000 0.907 35 E CB 0.578 30.235 29.700 -0.070 0.000 1.014 35 E HN 0.370 nan 8.360 nan 0.000 0.427 36 F N -1.765 118.158 119.950 -0.045 0.000 2.613 36 F HA 0.568 5.095 4.527 -0.000 0.000 0.314 36 F C -2.834 172.905 175.800 -0.103 0.000 1.075 36 F CA -3.433 54.532 58.000 -0.058 0.000 0.945 36 F CB -0.012 38.952 39.000 -0.059 0.000 1.310 36 F HN 0.131 nan 8.300 nan 0.000 0.467 37 P HA 0.106 nan 4.420 nan 0.000 0.264 37 P C -1.109 175.958 177.300 -0.387 0.000 1.183 37 P CA 0.108 63.064 63.100 -0.240 0.000 0.763 37 P CB 0.501 32.082 31.700 -0.198 0.000 0.807 38 Q N 2.369 121.830 119.800 -0.565 0.000 2.316 38 Q HA 0.395 4.735 4.340 -0.000 0.000 0.264 38 Q C -0.890 174.506 176.000 -1.007 0.000 0.987 38 Q CA -0.375 55.106 55.803 -0.538 0.000 0.852 38 Q CB 1.510 30.041 28.738 -0.346 0.000 1.287 38 Q HN 0.464 nan 8.270 nan 0.000 0.448 39 Y N 1.051 120.991 120.300 -0.601 0.000 2.393 39 Y HA 0.477 5.027 4.550 -0.000 0.000 0.341 39 Y C -0.305 175.128 175.900 -0.777 0.000 0.988 39 Y CA -0.833 56.947 58.100 -0.533 0.000 1.078 39 Y CB 1.354 39.713 38.460 -0.167 0.000 1.203 39 Y HN 0.431 nan 8.280 nan 0.000 0.453 40 F N 3.462 123.518 119.950 0.177 0.000 2.622 40 F HA 0.313 4.840 4.527 0.000 0.000 0.338 40 F C -1.688 174.151 175.800 0.066 0.000 1.334 40 F CA -1.683 56.383 58.000 0.110 0.000 1.179 40 F CB 0.722 39.749 39.000 0.045 0.000 1.471 40 F HN 0.390 nan 8.300 nan 0.000 0.576 41 P HA -0.142 nan 4.420 nan 0.000 0.217 41 P C -0.220 176.953 177.300 -0.212 0.000 1.148 41 P CA 1.408 64.514 63.100 0.009 0.000 0.828 41 P CB 0.612 32.339 31.700 0.046 0.000 0.783 42 K N -1.441 118.753 120.400 -0.344 0.000 2.536 42 K HA 0.372 4.692 4.320 -0.000 0.000 0.269 42 K C -0.548 175.913 176.600 -0.231 0.000 0.965 42 K CA -0.768 55.200 56.287 -0.531 0.000 0.860 42 K CB 1.881 33.607 32.500 -1.291 0.000 1.423 42 K HN -0.293 nan 8.250 nan 0.000 0.438 43 S N -0.039 115.575 115.700 -0.142 0.000 2.552 43 S HA 0.263 4.733 4.470 -0.000 0.000 0.289 43 S C 1.178 175.847 174.600 0.115 0.000 1.304 43 S CA 1.805 59.994 58.200 -0.019 0.000 1.063 43 S CB -0.191 62.989 63.200 -0.032 0.000 0.848 43 S HN 0.857 nan 8.310 nan 0.000 0.499 44 G N 3.769 112.653 108.800 0.141 0.000 2.225 44 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.254 44 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.254 44 G C -0.208 174.870 174.900 0.297 0.000 0.988 44 G CA 0.232 45.447 45.100 0.193 0.000 0.625 44 G HN 0.615 nan 8.290 nan 0.000 0.527 45 W N 0.148 121.442 121.300 -0.011 0.000 2.417 45 W HA 0.683 5.343 4.660 -0.000 0.000 0.317 45 W C -0.012 176.528 176.519 0.036 0.000 1.121 45 W CA -0.984 56.331 57.345 -0.049 0.000 1.208 45 W CB 1.621 31.046 29.460 -0.059 0.000 1.253 45 W HN 0.228 nan 8.180 nan 0.000 0.533 46 V N 3.353 123.325 119.914 0.097 0.000 2.612 46 V HA 0.379 4.499 4.120 -0.000 0.000 0.301 46 V C -0.436 175.545 176.094 -0.187 0.000 1.059 46 V CA -1.199 61.090 62.300 -0.018 0.000 0.886 46 V CB 1.477 33.264 31.823 -0.061 0.000 1.007 46 V HN 0.507 nan 8.190 nan 0.000 0.426 47 E N 3.053 123.152 120.200 -0.169 0.000 2.369 47 E HA 0.699 5.049 4.350 -0.000 0.000 0.270 47 E C -1.565 175.083 176.600 0.079 0.000 0.909 47 E CA -1.025 55.310 56.400 -0.108 0.000 0.775 47 E CB 2.674 32.372 29.700 -0.004 0.000 1.270 47 E HN 0.667 nan 8.360 nan 0.000 0.445 48 H N 0.692 119.863 119.070 0.170 0.000 2.821 48 H HA 0.280 4.836 4.556 0.000 0.000 0.373 48 H C -0.874 174.564 175.328 0.183 0.000 1.165 48 H CA -0.981 55.245 56.048 0.297 0.000 1.154 48 H CB 1.597 31.534 29.762 0.291 0.000 1.765 48 H HN 0.367 nan 8.280 nan 0.000 0.549 49 N N 1.012 119.940 118.700 0.380 0.000 2.420 49 N HA 0.152 4.892 4.740 -0.000 0.000 0.249 49 N C 0.740 176.311 175.510 0.103 0.000 1.033 49 N CA 0.011 53.154 53.050 0.155 0.000 0.944 49 N CB 1.264 39.859 38.487 0.178 0.000 1.113 49 N HN 0.705 nan 8.380 nan 0.000 0.502 50 A N 4.458 127.251 122.820 -0.044 0.000 1.978 50 A HA -0.174 4.146 4.320 -0.000 0.000 0.220 50 A C 1.776 179.496 177.584 0.227 0.000 1.170 50 A CA 1.146 53.089 52.037 -0.157 0.000 0.636 50 A CB -0.212 18.268 19.000 -0.865 0.000 0.810 50 A HN 0.742 nan 8.150 nan 0.000 0.448 51 N N -0.013 118.824 118.700 0.228 0.000 2.216 51 N HA -0.106 4.634 4.740 -0.000 0.000 0.183 51 N C 1.567 177.261 175.510 0.306 0.000 1.017 51 N CA 1.420 54.696 53.050 0.377 0.000 0.861 51 N CB -0.322 38.328 38.487 0.272 0.000 0.986 51 N HN 0.678 nan 8.380 nan 0.000 0.428 52 E N 0.517 120.838 120.200 0.201 0.000 2.152 52 E HA -0.008 4.342 4.350 -0.000 0.000 0.192 52 E C 1.932 178.553 176.600 0.036 0.000 0.983 52 E CA 0.371 56.862 56.400 0.153 0.000 0.818 52 E CB 0.064 29.892 29.700 0.213 0.000 0.758 52 E HN 0.342 nan 8.360 nan 0.000 0.467 53 I N 0.873 121.404 120.570 -0.065 0.000 2.179 53 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 53 I C 2.427 178.542 176.117 -0.004 0.000 1.088 53 I CA 1.071 62.168 61.300 -0.339 0.000 1.357 53 I CB -0.345 37.467 38.000 -0.314 0.000 1.051 53 I HN 0.394 nan 8.210 nan 0.000 0.409 54 W N 2.357 123.690 121.300 0.055 0.000 2.338 54 W HA -0.319 4.341 4.660 -0.000 0.000 0.304 54 W C 2.229 178.750 176.519 0.002 0.000 1.212 54 W CA 1.978 59.337 57.345 0.023 0.000 1.264 54 W CB -0.321 29.168 29.460 0.047 0.000 1.142 54 W HN 0.223 nan 8.180 nan 0.000 0.512 55 N N 0.844 119.464 118.700 -0.134 0.000 2.104 55 N HA -0.253 4.487 4.740 -0.000 0.000 0.190 55 N C 2.111 177.485 175.510 -0.226 0.000 1.024 55 N CA 3.167 56.075 53.050 -0.236 0.000 0.853 55 N CB -0.658 37.812 38.487 -0.029 0.000 1.008 55 N HN 0.121 nan 8.380 nan 0.000 0.424 56 S N -0.925 114.702 115.700 -0.122 0.000 2.399 56 S HA -0.072 4.398 4.470 -0.000 0.000 0.231 56 S C 2.020 176.546 174.600 -0.124 0.000 1.022 56 S CA 1.140 59.302 58.200 -0.064 0.000 0.983 56 S CB -0.666 62.559 63.200 0.043 0.000 0.803 56 S HN 0.135 nan 8.310 nan 0.000 0.480 57 V N 2.076 121.867 119.914 -0.205 0.000 2.379 57 V HA -0.156 3.964 4.120 -0.000 0.000 0.245 57 V C 2.894 178.778 176.094 -0.349 0.000 1.044 57 V CA 2.001 64.173 62.300 -0.213 0.000 1.036 57 V CB -0.940 30.807 31.823 -0.126 0.000 0.664 57 V HN 0.537 nan 8.190 nan 0.000 0.453 58 Q N -0.210 119.210 119.800 -0.632 0.000 2.096 58 Q HA -0.193 4.147 4.340 -0.000 0.000 0.204 58 Q C 2.497 178.358 176.000 -0.232 0.000 0.982 58 Q CA 2.028 57.507 55.803 -0.540 0.000 0.850 58 Q CB -0.291 28.067 28.738 -0.633 0.000 0.901 58 Q HN 0.584 nan 8.270 nan 0.000 0.422 59 S N 0.529 116.113 115.700 -0.192 0.000 2.356 59 S HA -0.144 4.326 4.470 -0.000 0.000 0.223 59 S C 2.233 176.795 174.600 -0.064 0.000 1.032 59 S CA 1.565 59.708 58.200 -0.094 0.000 1.005 59 S CB -0.383 62.776 63.200 -0.069 0.000 0.867 59 S HN 0.461 nan 8.310 nan 0.000 0.449 60 V N 0.256 120.125 119.914 -0.074 0.000 2.548 60 V HA -0.009 4.111 4.120 -0.000 0.000 0.249 60 V C 1.878 177.920 176.094 -0.086 0.000 1.055 60 V CA 1.166 63.430 62.300 -0.060 0.000 1.065 60 V CB -0.963 30.835 31.823 -0.041 0.000 0.681 60 V HN 0.408 nan 8.190 nan 0.000 0.462 61 I N 1.310 121.817 120.570 -0.105 0.000 2.179 61 I HA -0.184 3.986 4.170 -0.000 0.000 0.242 61 I C 2.963 179.069 176.117 -0.019 0.000 1.088 61 I CA 1.790 62.996 61.300 -0.157 0.000 1.357 61 I CB -0.626 37.255 38.000 -0.197 0.000 1.051 61 I HN 0.382 nan 8.210 nan 0.000 0.409 62 A N 0.828 123.724 122.820 0.127 0.000 1.902 62 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 62 A C 2.431 180.080 177.584 0.108 0.000 1.181 62 A CA 1.866 54.048 52.037 0.242 0.000 0.623 62 A CB -1.456 17.609 19.000 0.108 0.000 0.818 62 A HN 0.468 nan 8.150 nan 0.000 0.443 63 G N -0.466 108.344 108.800 0.016 0.000 2.440 63 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.218 63 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.218 63 G C 1.736 176.615 174.900 -0.035 0.000 1.154 63 G CA 1.560 46.652 45.100 -0.014 0.000 0.767 63 G HN 0.807 nan 8.290 nan 0.000 0.552 64 A N 0.291 123.054 122.820 -0.095 0.000 1.898 64 A HA 0.158 4.478 4.320 -0.000 0.000 0.216 64 A C 2.216 179.710 177.584 -0.151 0.000 1.181 64 A CA 1.206 53.138 52.037 -0.176 0.000 0.620 64 A CB -0.555 18.267 19.000 -0.295 0.000 0.819 64 A HN 0.342 nan 8.150 nan 0.000 0.442 65 F N 0.014 119.924 119.950 -0.066 0.000 2.126 65 F HA -0.177 4.350 4.527 0.000 0.000 0.299 65 F C 2.221 177.977 175.800 -0.072 0.000 1.096 65 F CA 1.306 59.269 58.000 -0.062 0.000 1.255 65 F CB -0.256 38.742 39.000 -0.004 0.000 0.997 65 F HN 0.139 nan 8.300 nan 0.000 0.479 66 I N -0.032 120.617 120.570 0.133 0.000 2.127 66 I HA -0.323 3.847 4.170 -0.000 0.000 0.241 66 I C 2.476 178.597 176.117 0.007 0.000 1.075 66 I CA 1.789 63.112 61.300 0.039 0.000 1.334 66 I CB -0.493 37.511 38.000 0.006 0.000 1.040 66 I HN 0.195 nan 8.210 nan 0.000 0.405 67 E N 0.880 121.072 120.200 -0.012 0.000 2.047 67 E HA -0.232 4.118 4.350 -0.000 0.000 0.191 67 E C 2.291 178.867 176.600 -0.040 0.000 0.987 67 E CA 1.742 58.124 56.400 -0.030 0.000 0.799 67 E CB 0.018 29.691 29.700 -0.045 0.000 0.752 67 E HN 0.504 nan 8.360 nan 0.000 0.449 68 S N -0.665 114.999 115.700 -0.058 0.000 2.382 68 S HA -0.069 4.401 4.470 -0.000 0.000 0.228 68 S C 1.830 176.383 174.600 -0.078 0.000 1.027 68 S CA 1.316 59.459 58.200 -0.095 0.000 0.991 68 S CB -0.524 62.583 63.200 -0.155 0.000 0.823 68 S HN 0.613 nan 8.310 nan 0.000 0.469 69 G N 1.432 110.214 108.800 -0.029 0.000 2.159 69 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.256 69 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.256 69 G C 0.128 175.009 174.900 -0.032 0.000 0.977 69 G CA 0.383 45.469 45.100 -0.023 0.000 0.652 69 G HN 1.173 nan 8.290 nan 0.000 0.531 70 I N -2.104 118.437 120.570 -0.049 0.000 2.664 70 I HA 0.801 4.971 4.170 -0.000 0.000 0.308 70 I C 0.555 176.700 176.117 0.046 0.000 0.984 70 I CA -1.542 59.722 61.300 -0.059 0.000 1.213 70 I CB 0.857 38.674 38.000 -0.305 0.000 1.379 70 I HN -0.005 nan 8.210 nan 0.000 0.501 71 R N 3.142 123.665 120.500 0.037 0.000 2.490 71 R HA 0.284 4.624 4.340 -0.000 0.000 0.278 71 R C -1.865 174.443 176.300 0.013 0.000 1.069 71 R CA -1.299 54.792 56.100 -0.016 0.000 1.080 71 R CB 0.233 30.540 30.300 0.011 0.000 1.030 71 R HN 0.462 nan 8.270 nan 0.000 0.491 72 P HA -0.194 nan 4.420 nan 0.000 0.218 72 P C 0.818 178.219 177.300 0.169 0.000 1.149 72 P CA 1.118 64.144 63.100 -0.123 0.000 0.817 72 P CB 0.181 31.655 31.700 -0.376 0.000 0.785 73 E N -0.045 120.210 120.200 0.092 0.000 2.265 73 E HA -0.131 4.219 4.350 -0.000 0.000 0.196 73 E C 1.486 178.170 176.600 0.140 0.000 0.996 73 E CA 0.756 57.221 56.400 0.108 0.000 0.832 73 E CB -0.365 29.376 29.700 0.069 0.000 0.756 73 E HN 0.097 nan 8.360 nan 0.000 0.491 74 A N 0.639 123.571 122.820 0.186 0.000 2.238 74 A HA 0.110 4.430 4.320 -0.000 0.000 0.208 74 A C 0.584 178.334 177.584 0.276 0.000 1.177 74 A CA -0.118 52.068 52.037 0.248 0.000 0.804 74 A CB 0.106 19.307 19.000 0.336 0.000 0.823 74 A HN 0.145 nan 8.150 nan 0.000 0.482 75 I N 0.730 121.446 120.570 0.244 0.000 2.322 75 I HA 0.189 4.359 4.170 -0.000 0.000 0.292 75 I C 1.490 177.619 176.117 0.020 0.000 1.060 75 I CA -0.040 61.361 61.300 0.168 0.000 1.309 75 I CB 0.366 38.542 38.000 0.293 0.000 1.415 75 I HN 0.236 nan 8.210 nan 0.000 0.492 76 A N 5.430 128.176 122.820 -0.123 0.000 1.969 76 A HA 0.334 4.654 4.320 -0.000 0.000 0.218 76 A C 1.104 178.584 177.584 -0.174 0.000 1.169 76 A CA 1.199 53.142 52.037 -0.156 0.000 0.635 76 A CB -0.120 18.717 19.000 -0.272 0.000 0.810 76 A HN 0.824 nan 8.150 nan 0.000 0.445 77 G N -2.013 106.655 108.800 -0.221 0.000 2.547 77 G HA2 0.500 4.460 3.960 -0.000 0.000 0.291 77 G HA3 0.500 4.460 3.960 -0.000 0.000 0.291 77 G C -1.420 173.375 174.900 -0.174 0.000 1.471 77 G CA -0.689 44.291 45.100 -0.199 0.000 0.798 77 G HN 0.151 nan 8.290 nan 0.000 0.504 78 I N 0.502 120.968 120.570 -0.174 0.000 2.474 78 I HA 0.616 4.786 4.170 -0.000 0.000 0.294 78 I C 0.610 176.699 176.117 -0.046 0.000 1.005 78 I CA -0.820 60.404 61.300 -0.126 0.000 1.113 78 I CB 2.406 40.267 38.000 -0.230 0.000 1.289 78 I HN 0.638 nan 8.210 nan 0.000 0.436 79 G N 6.758 115.564 108.800 0.009 0.000 2.416 79 G HA2 0.688 4.648 3.960 -0.000 0.000 0.324 79 G HA3 0.688 4.648 3.960 -0.000 0.000 0.324 79 G C -0.831 174.090 174.900 0.035 0.000 1.194 79 G CA -0.329 44.794 45.100 0.038 0.000 0.922 79 G HN 0.303 nan 8.290 nan 0.000 0.467 80 I N 1.488 122.071 120.570 0.022 0.000 2.406 80 I HA 0.513 4.683 4.170 -0.000 0.000 0.290 80 I C 0.136 176.260 176.117 0.012 0.000 0.999 80 I CA -0.467 60.841 61.300 0.014 0.000 1.124 80 I CB 1.458 39.448 38.000 -0.017 0.000 1.289 80 I HN 0.425 nan 8.210 nan 0.000 0.441 81 T N 5.809 120.384 114.554 0.034 0.000 2.896 81 T HA 0.771 5.121 4.350 -0.000 0.000 0.297 81 T C -1.008 173.726 174.700 0.057 0.000 1.108 81 T CA -0.600 61.520 62.100 0.035 0.000 1.004 81 T CB 2.086 70.978 68.868 0.040 0.000 1.159 81 T HN 0.916 nan 8.240 nan 0.000 0.499 82 N N 0.521 119.254 118.700 0.055 0.000 3.046 82 N HA 0.324 5.064 4.740 -0.000 0.000 0.243 82 N C -1.541 174.017 175.510 0.081 0.000 1.452 82 N CA -1.218 51.886 53.050 0.090 0.000 0.882 82 N CB 0.761 39.308 38.487 0.100 0.000 1.425 82 N HN 0.708 nan 8.380 nan 0.000 0.517 83 Q N 0.529 120.422 119.800 0.154 0.000 2.274 83 Q HA 0.216 4.556 4.340 -0.000 0.000 0.280 83 Q C -0.457 175.606 176.000 0.106 0.000 1.047 83 Q CA -0.095 55.803 55.803 0.158 0.000 0.907 83 Q CB 0.779 29.785 28.738 0.446 0.000 1.171 83 Q HN 0.423 nan 8.270 nan 0.000 0.381 84 R N 1.949 122.407 120.500 -0.069 0.000 2.574 84 R HA 0.116 4.456 4.340 -0.000 0.000 0.266 84 R C 0.148 176.504 176.300 0.093 0.000 1.157 84 R CA -0.326 55.762 56.100 -0.020 0.000 1.187 84 R CB 0.309 30.538 30.300 -0.118 0.000 1.179 84 R HN 0.882 nan 8.270 nan 0.000 0.600 85 E N -1.369 118.901 120.200 0.117 0.000 5.229 85 E HA -0.261 4.089 4.350 -0.000 0.000 0.167 85 E C -0.335 176.418 176.600 0.254 0.000 1.240 85 E CA 2.275 58.786 56.400 0.184 0.000 2.124 85 E CB -1.542 28.213 29.700 0.093 0.000 1.848 85 E HN 0.681 nan 8.360 nan 0.000 0.388 86 T N 2.115 116.853 114.554 0.307 0.000 2.777 86 T HA 0.079 4.429 4.350 -0.000 0.000 0.273 86 T C 0.050 174.882 174.700 0.220 0.000 1.016 86 T CA 1.242 63.501 62.100 0.264 0.000 1.156 86 T CB 0.212 69.277 68.868 0.328 0.000 1.019 86 T HN 0.156 nan 8.240 nan 0.000 0.503 87 T N 4.114 118.779 114.554 0.186 0.000 2.797 87 T HA 0.542 4.892 4.350 -0.000 0.000 0.279 87 T C -0.203 174.582 174.700 0.143 0.000 0.991 87 T CA -0.630 61.617 62.100 0.246 0.000 0.979 87 T CB 1.153 70.192 68.868 0.285 0.000 0.943 87 T HN 0.355 nan 8.240 nan 0.000 0.444 88 V N 3.643 123.641 119.914 0.140 0.000 2.540 88 V HA 0.606 4.726 4.120 -0.000 0.000 0.302 88 V C -0.445 175.759 176.094 0.184 0.000 1.035 88 V CA -0.800 61.519 62.300 0.031 0.000 0.873 88 V CB 1.971 33.660 31.823 -0.223 0.000 0.992 88 V HN 0.673 nan 8.190 nan 0.000 0.428 89 V N 4.658 124.634 119.914 0.105 0.000 2.483 89 V HA 0.616 4.736 4.120 -0.000 0.000 0.297 89 V C -0.795 175.323 176.094 0.040 0.000 1.027 89 V CA -0.499 61.818 62.300 0.028 0.000 0.855 89 V CB 1.573 33.400 31.823 0.007 0.000 0.995 89 V HN 1.044 nan 8.190 nan 0.000 0.424 90 W N 2.903 124.062 121.300 -0.235 0.000 2.975 90 W HA 0.735 5.395 4.660 0.000 0.000 0.342 90 W C -0.870 175.527 176.519 -0.202 0.000 1.168 90 W CA -0.964 56.235 57.345 -0.242 0.000 1.141 90 W CB 0.951 30.228 29.460 -0.306 0.000 1.445 90 W HN 0.458 nan 8.180 nan 0.000 0.560 91 D N 2.157 122.609 120.400 0.086 0.000 2.313 91 D HA 0.076 4.716 4.640 -0.000 0.000 0.239 91 D C 0.711 177.081 176.300 0.118 0.000 1.142 91 D CA -0.291 53.717 54.000 0.014 0.000 0.847 91 D CB 1.437 42.269 40.800 0.053 0.000 1.082 91 D HN 0.670 nan 8.370 nan 0.000 0.480 92 K N 1.204 121.610 120.400 0.010 0.000 2.551 92 K HA -0.030 4.290 4.320 -0.000 0.000 0.192 92 K C 1.098 177.840 176.600 0.236 0.000 1.027 92 K CA 0.537 56.944 56.287 0.201 0.000 1.059 92 K CB -0.075 32.506 32.500 0.135 0.000 0.831 92 K HN 0.277 nan 8.250 nan 0.000 0.508 93 T N -2.977 111.665 114.554 0.147 0.000 3.014 93 T HA -0.015 4.335 4.350 -0.000 0.000 0.250 93 T C 1.759 176.538 174.700 0.131 0.000 1.060 93 T CA 0.738 62.910 62.100 0.121 0.000 1.040 93 T CB 0.255 69.165 68.868 0.071 0.000 0.971 93 T HN 0.321 nan 8.240 nan 0.000 0.497 94 T N -3.188 111.459 114.554 0.156 0.000 2.958 94 T HA 0.497 4.847 4.350 -0.000 0.000 0.256 94 T C 1.950 176.773 174.700 0.205 0.000 0.983 94 T CA 0.782 62.971 62.100 0.149 0.000 0.924 94 T CB -0.081 68.856 68.868 0.115 0.000 1.136 94 T HN 0.894 nan 8.240 nan 0.000 0.506 95 G N 1.558 110.540 108.800 0.302 0.000 2.184 95 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.264 95 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.264 95 G C -0.100 174.994 174.900 0.323 0.000 0.975 95 G CA 0.126 45.465 45.100 0.398 0.000 0.642 95 G HN 0.668 nan 8.290 nan 0.000 0.536 96 Q N 0.470 120.420 119.800 0.249 0.000 2.241 96 Q HA 0.474 4.814 4.340 -0.000 0.000 0.254 96 Q C -2.468 173.626 176.000 0.156 0.000 0.917 96 Q CA -2.121 53.797 55.803 0.192 0.000 0.919 96 Q CB 1.506 30.324 28.738 0.133 0.000 1.237 96 Q HN 0.182 nan 8.270 nan 0.000 0.434 97 P HA 0.044 nan 4.420 nan 0.000 0.269 97 P C 0.797 178.108 177.300 0.018 0.000 1.209 97 P CA 0.123 63.209 63.100 -0.024 0.000 0.776 97 P CB 0.396 31.972 31.700 -0.207 0.000 0.876 98 I N -0.303 120.277 120.570 0.018 0.000 3.111 98 I HA 0.327 4.497 4.170 -0.000 0.000 0.272 98 I C 0.592 176.720 176.117 0.018 0.000 1.268 98 I CA 0.577 61.886 61.300 0.015 0.000 1.467 98 I CB -0.173 37.827 38.000 0.000 0.000 1.087 98 I HN 0.220 nan 8.210 nan 0.000 0.467 99 A N 0.473 123.300 122.820 0.011 0.000 2.410 99 A HA 0.402 4.722 4.320 -0.000 0.000 0.300 99 A C -1.106 176.472 177.584 -0.010 0.000 1.077 99 A CA -0.826 51.225 52.037 0.023 0.000 0.610 99 A CB 0.065 19.116 19.000 0.085 0.000 1.371 99 A HN 0.141 nan 8.150 nan 0.000 0.510 100 N N 0.578 119.271 118.700 -0.011 0.000 2.416 100 N HA 0.443 5.183 4.740 -0.000 0.000 0.246 100 N C 0.385 175.879 175.510 -0.028 0.000 1.260 100 N CA 0.906 53.932 53.050 -0.039 0.000 0.897 100 N CB 0.790 39.240 38.487 -0.061 0.000 1.110 100 N HN 1.034 nan 8.380 nan 0.000 0.439 101 A N 1.756 124.555 122.820 -0.034 0.000 2.351 101 A HA 0.410 4.730 4.320 -0.000 0.000 0.257 101 A C 0.312 177.864 177.584 -0.053 0.000 1.087 101 A CA -0.305 51.711 52.037 -0.035 0.000 0.798 101 A CB 0.076 19.058 19.000 -0.030 0.000 1.033 101 A HN 0.648 nan 8.150 nan 0.000 0.488 102 I N 2.253 122.782 120.570 -0.067 0.000 2.321 102 I HA 0.227 4.397 4.170 -0.000 0.000 0.291 102 I C -0.206 175.840 176.117 -0.118 0.000 0.998 102 I CA -0.604 60.599 61.300 -0.160 0.000 1.227 102 I CB 1.463 39.328 38.000 -0.224 0.000 1.368 102 I HN 0.332 nan 8.210 nan 0.000 0.466 103 V N 6.102 125.881 119.914 -0.225 0.000 2.881 103 V HA -0.020 4.100 4.120 -0.000 0.000 0.303 103 V C 1.231 177.264 176.094 -0.101 0.000 1.070 103 V CA -0.365 61.800 62.300 -0.224 0.000 1.074 103 V CB 0.854 32.353 31.823 -0.541 0.000 1.012 103 V HN 0.944 nan 8.190 nan 0.000 0.482 104 W N 1.458 122.797 121.300 0.065 0.000 2.364 104 W HA -0.184 4.476 4.660 -0.000 0.000 0.281 104 W C 1.328 177.928 176.519 0.135 0.000 1.219 104 W CA 1.086 58.523 57.345 0.154 0.000 1.220 104 W CB -0.775 28.860 29.460 0.291 0.000 1.127 104 W HN 0.666 nan 8.180 nan 0.000 0.556 105 Q N 1.156 120.576 119.800 -0.634 0.000 2.230 105 Q HA -0.065 4.275 4.340 -0.000 0.000 0.202 105 Q C 1.386 177.196 176.000 -0.317 0.000 0.963 105 Q CA 0.861 56.272 55.803 -0.654 0.000 0.866 105 Q CB -0.162 28.065 28.738 -0.852 0.000 0.931 105 Q HN 0.063 nan 8.270 nan 0.000 0.452 106 S N 0.232 115.775 115.700 -0.261 0.000 2.562 106 S HA 0.056 4.526 4.470 -0.000 0.000 0.281 106 S C 0.744 175.206 174.600 -0.230 0.000 1.333 106 S CA -0.217 57.846 58.200 -0.228 0.000 1.052 106 S CB 0.490 63.504 63.200 -0.309 0.000 0.884 106 S HN 0.195 nan 8.310 nan 0.000 0.506 107 R N 2.457 122.830 120.500 -0.211 0.000 2.472 107 R HA 0.060 4.400 4.340 -0.000 0.000 0.279 107 R C 1.886 178.013 176.300 -0.288 0.000 0.953 107 R CA 0.081 56.076 56.100 -0.174 0.000 1.088 107 R CB -0.126 30.138 30.300 -0.060 0.000 1.197 107 R HN 0.881 nan 8.270 nan 0.000 0.536 108 Q N 0.549 119.952 119.800 -0.661 0.000 2.297 108 Q HA -0.097 4.243 4.340 -0.000 0.000 0.208 108 Q C 1.006 176.564 176.000 -0.737 0.000 0.981 108 Q CA 1.962 57.047 55.803 -1.196 0.000 0.876 108 Q CB -0.125 27.085 28.738 -2.546 0.000 0.921 108 Q HN 0.116 nan 8.270 nan 0.000 0.446 109 S N 0.035 115.439 115.700 -0.494 0.000 2.572 109 S HA 0.108 4.578 4.470 -0.000 0.000 0.228 109 S C 1.644 176.231 174.600 -0.022 0.000 0.963 109 S CA 0.066 58.175 58.200 -0.151 0.000 0.939 109 S CB 0.414 63.552 63.200 -0.103 0.000 0.804 109 S HN 0.483 nan 8.310 nan 0.000 0.480 110 S N 2.761 118.436 115.700 -0.041 0.000 2.383 110 S HA -0.005 4.465 4.470 -0.000 0.000 0.229 110 S C -0.840 173.796 174.600 0.059 0.000 1.030 110 S CA 0.989 59.202 58.200 0.021 0.000 1.002 110 S CB -2.001 61.212 63.200 0.022 0.000 0.829 110 S HN 0.433 nan 8.310 nan 0.000 0.467 111 P HA -0.016 nan 4.420 nan 0.000 0.215 111 P C 1.435 178.783 177.300 0.080 0.000 1.153 111 P CA 1.036 64.187 63.100 0.085 0.000 0.853 111 P CB -0.156 31.609 31.700 0.108 0.000 0.788 112 I N -0.973 119.650 120.570 0.089 0.000 2.252 112 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 112 I C 2.299 178.462 176.117 0.077 0.000 1.102 112 I CA 1.389 62.736 61.300 0.078 0.000 1.385 112 I CB -0.765 37.286 38.000 0.085 0.000 1.064 112 I HN -0.080 nan 8.210 nan 0.000 0.414 113 A N 0.627 123.496 122.820 0.082 0.000 1.877 113 A HA -0.230 4.090 4.320 -0.000 0.000 0.216 113 A C 1.980 179.621 177.584 0.095 0.000 1.186 113 A CA 1.967 54.061 52.037 0.096 0.000 0.620 113 A CB -0.605 18.458 19.000 0.104 0.000 0.822 113 A HN 0.327 nan 8.150 nan 0.000 0.443 114 D N -0.816 119.634 120.400 0.084 0.000 2.116 114 D HA -0.191 4.449 4.640 -0.000 0.000 0.193 114 D C 2.068 178.411 176.300 0.072 0.000 0.998 114 D CA 1.868 55.913 54.000 0.076 0.000 0.836 114 D CB -0.389 40.450 40.800 0.066 0.000 0.951 114 D HN 0.484 nan 8.370 nan 0.000 0.449 115 Q N 0.219 120.061 119.800 0.071 0.000 2.096 115 Q HA -0.115 4.225 4.340 -0.000 0.000 0.204 115 Q C 2.039 178.096 176.000 0.095 0.000 0.982 115 Q CA 0.798 56.643 55.803 0.069 0.000 0.850 115 Q CB -0.544 28.232 28.738 0.063 0.000 0.901 115 Q HN 0.153 nan 8.270 nan 0.000 0.422 116 L N 0.425 121.717 121.223 0.116 0.000 2.042 116 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 116 L C 1.956 178.930 176.870 0.173 0.000 1.076 116 L CA 1.907 56.857 54.840 0.184 0.000 0.749 116 L CB -0.482 41.661 42.059 0.141 0.000 0.893 116 L HN 0.194 nan 8.230 nan 0.000 0.432 117 K N -1.652 118.813 120.400 0.108 0.000 2.062 117 K HA -0.070 4.250 4.320 -0.000 0.000 0.205 117 K C 1.958 178.576 176.600 0.029 0.000 1.051 117 K CA 1.140 57.469 56.287 0.071 0.000 0.941 117 K CB -0.273 32.270 32.500 0.071 0.000 0.719 117 K HN 0.122 nan 8.250 nan 0.000 0.440 118 V N 2.329 122.263 119.914 0.033 0.000 2.392 118 V HA -0.219 3.901 4.120 -0.000 0.000 0.249 118 V C 1.103 177.182 176.094 -0.025 0.000 1.059 118 V CA 1.748 64.054 62.300 0.010 0.000 1.051 118 V CB -0.382 31.454 31.823 0.022 0.000 0.658 118 V HN 0.293 nan 8.190 nan 0.000 0.455 119 D N 0.203 120.584 120.400 -0.030 0.000 2.324 119 D HA 0.154 4.794 4.640 -0.000 0.000 0.235 119 D C 1.660 177.722 176.300 -0.396 0.000 1.095 119 D CA 0.971 54.891 54.000 -0.134 0.000 0.871 119 D CB -0.020 40.781 40.800 0.001 0.000 0.906 119 D HN 0.534 nan 8.370 nan 0.000 0.522 120 G N 1.200 109.855 108.800 -0.241 0.000 2.221 120 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.265 120 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.265 120 G C 0.437 175.172 174.900 -0.275 0.000 1.041 120 G CA 0.183 45.145 45.100 -0.230 0.000 0.807 120 G HN 0.507 nan 8.290 nan 0.000 0.502 121 H N -0.879 118.204 119.070 0.022 0.000 2.529 121 H HA 0.231 4.787 4.556 0.000 0.000 0.277 121 H C 2.440 177.786 175.328 0.030 0.000 1.004 121 H CA 0.729 56.791 56.048 0.023 0.000 1.167 121 H CB 0.497 30.273 29.762 0.023 0.000 1.445 121 H HN 0.351 nan 8.280 nan 0.000 0.554 122 T N 0.496 115.109 114.554 0.099 0.000 2.652 122 T HA -0.229 4.121 4.350 -0.000 0.000 0.267 122 T C 1.981 176.733 174.700 0.087 0.000 1.039 122 T CA 1.836 63.984 62.100 0.081 0.000 1.153 122 T CB -0.016 68.877 68.868 0.041 0.000 0.863 122 T HN 0.392 nan 8.240 nan 0.000 0.428 123 E N 1.193 121.433 120.200 0.066 0.000 2.051 123 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 123 E C 2.157 178.816 176.600 0.098 0.000 0.991 123 E CA 1.293 57.738 56.400 0.075 0.000 0.799 123 E CB -0.512 29.213 29.700 0.041 0.000 0.748 123 E HN 0.564 nan 8.360 nan 0.000 0.449 124 M N -0.045 119.612 119.600 0.094 0.000 2.082 124 M HA -0.208 4.272 4.480 -0.000 0.000 0.258 124 M C 1.629 177.968 176.300 0.065 0.000 1.071 124 M CA 1.909 57.259 55.300 0.084 0.000 1.103 124 M CB -0.262 32.412 32.600 0.124 0.000 1.307 124 M HN 0.157 nan 8.290 nan 0.000 0.409 125 I N 0.047 120.664 120.570 0.079 0.000 2.163 125 I HA -0.327 3.843 4.170 -0.000 0.000 0.243 125 I C 2.770 178.903 176.117 0.027 0.000 1.085 125 I CA 1.846 63.173 61.300 0.044 0.000 1.347 125 I CB -2.195 35.840 38.000 0.058 0.000 1.044 125 I HN 0.581 nan 8.210 nan 0.000 0.408 126 H N 1.036 120.099 119.070 -0.011 0.000 2.321 126 H HA -0.176 4.380 4.556 0.000 0.000 0.300 126 H C 2.128 177.463 175.328 0.011 0.000 1.087 126 H CA 1.717 57.752 56.048 -0.021 0.000 1.319 126 H CB 0.158 29.906 29.762 -0.023 0.000 1.379 126 H HN 0.245 nan 8.280 nan 0.000 0.501 127 E N 1.314 121.512 120.200 -0.004 0.000 2.130 127 E HA -0.174 4.176 4.350 -0.000 0.000 0.196 127 E C 1.963 178.556 176.600 -0.012 0.000 0.998 127 E CA 1.370 57.746 56.400 -0.041 0.000 0.806 127 E CB 0.052 29.753 29.700 0.001 0.000 0.738 127 E HN 0.543 nan 8.360 nan 0.000 0.459 128 K N -0.916 119.480 120.400 -0.006 0.000 2.128 128 K HA -0.004 4.316 4.320 -0.000 0.000 0.202 128 K C 2.188 178.750 176.600 -0.063 0.000 1.050 128 K CA 1.483 57.778 56.287 0.013 0.000 0.966 128 K CB 0.065 32.555 32.500 -0.017 0.000 0.759 128 K HN 0.185 nan 8.250 nan 0.000 0.454 129 T N -3.511 110.974 114.554 -0.115 0.000 2.990 129 T HA 0.205 4.555 4.350 -0.000 0.000 0.250 129 T C 1.450 176.013 174.700 -0.227 0.000 1.041 129 T CA 0.494 62.496 62.100 -0.163 0.000 1.010 129 T CB 0.714 69.490 68.868 -0.153 0.000 1.003 129 T HN 0.305 nan 8.240 nan 0.000 0.499 130 G N 1.355 109.974 108.800 -0.302 0.000 2.179 130 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.260 130 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.260 130 G C -0.096 174.693 174.900 -0.184 0.000 0.977 130 G CA 0.470 45.353 45.100 -0.362 0.000 0.641 130 G HN 0.662 nan 8.290 nan 0.000 0.533 131 L N 0.034 121.141 121.223 -0.194 0.000 2.331 131 L HA 0.829 5.169 4.340 -0.000 0.000 0.268 131 L C 1.010 177.848 176.870 -0.054 0.000 1.015 131 L CA -1.439 53.269 54.840 -0.219 0.000 0.807 131 L CB 1.681 43.313 42.059 -0.712 0.000 1.293 131 L HN 0.181 nan 8.230 nan 0.000 0.451 132 V N -1.361 118.515 119.914 -0.064 0.000 2.716 132 V HA 0.460 4.580 4.120 -0.000 0.000 0.304 132 V C 0.077 176.255 176.094 0.140 0.000 1.053 132 V CA -0.772 61.498 62.300 -0.050 0.000 0.984 132 V CB 1.514 33.123 31.823 -0.356 0.000 1.021 132 V HN 0.491 nan 8.190 nan 0.000 0.467 133 I N 2.859 123.505 120.570 0.128 0.000 2.517 133 I HA 0.415 4.585 4.170 -0.000 0.000 0.285 133 I C -0.084 176.173 176.117 0.233 0.000 1.106 133 I CA 0.869 62.284 61.300 0.191 0.000 1.402 133 I CB 0.309 38.393 38.000 0.140 0.000 1.399 133 I HN 0.942 nan 8.210 nan 0.000 0.535 134 D N 3.704 124.289 120.400 0.308 0.000 2.706 134 D HA 0.372 5.012 4.640 -0.000 0.000 0.227 134 D C 0.205 176.608 176.300 0.170 0.000 1.233 134 D CA -0.465 53.678 54.000 0.238 0.000 0.768 134 D CB 1.431 42.406 40.800 0.291 0.000 1.490 134 D HN 0.438 nan 8.370 nan 0.000 0.458 135 A N 1.747 124.623 122.820 0.093 0.000 2.225 135 A HA -0.111 4.209 4.320 -0.000 0.000 0.215 135 A C 1.571 179.165 177.584 0.016 0.000 1.164 135 A CA 0.986 53.043 52.037 0.033 0.000 0.710 135 A CB -0.728 18.254 19.000 -0.031 0.000 0.780 135 A HN 0.637 nan 8.150 nan 0.000 0.473 136 Y N 0.210 120.378 120.300 -0.219 0.000 2.207 136 Y HA -0.059 4.491 4.550 -0.000 0.000 0.287 136 Y C 0.244 175.973 175.900 -0.285 0.000 1.156 136 Y CA -0.017 57.887 58.100 -0.326 0.000 1.182 136 Y CB -0.573 37.605 38.460 -0.469 0.000 0.979 136 Y HN 0.231 nan 8.280 nan 0.000 0.521 137 F N -0.390 119.616 119.950 0.095 0.000 2.378 137 F HA 0.247 4.774 4.527 -0.000 0.000 0.319 137 F C 1.959 177.780 175.800 0.034 0.000 1.155 137 F CA 0.051 58.033 58.000 -0.029 0.000 1.157 137 F CB 0.195 39.186 39.000 -0.015 0.000 1.252 137 F HN -0.315 nan 8.300 nan 0.000 0.550 138 S N 0.690 116.549 115.700 0.265 0.000 2.370 138 S HA -0.230 4.240 4.470 -0.000 0.000 0.226 138 S C 2.275 176.893 174.600 0.031 0.000 1.033 138 S CA 1.214 59.520 58.200 0.176 0.000 1.011 138 S CB -0.654 62.723 63.200 0.295 0.000 0.852 138 S HN 0.722 nan 8.310 nan 0.000 0.457 139 A N 1.937 124.778 122.820 0.034 0.000 1.894 139 A HA -0.279 4.041 4.320 -0.000 0.000 0.220 139 A C 2.485 180.048 177.584 -0.034 0.000 1.237 139 A CA 2.879 54.890 52.037 -0.043 0.000 0.660 139 A CB -1.816 17.195 19.000 0.019 0.000 0.835 139 A HN 0.680 nan 8.150 nan 0.000 0.461 140 T N -2.645 111.929 114.554 0.034 0.000 3.035 140 T HA -0.012 4.338 4.350 -0.000 0.000 0.268 140 T C 1.615 176.346 174.700 0.050 0.000 1.109 140 T CA 1.448 63.573 62.100 0.042 0.000 1.119 140 T CB -0.231 68.675 68.868 0.064 0.000 0.900 140 T HN 0.594 nan 8.240 nan 0.000 0.503 141 K N 0.692 121.105 120.400 0.022 0.000 2.103 141 K HA 0.089 4.409 4.320 -0.000 0.000 0.204 141 K C 2.294 178.930 176.600 0.061 0.000 1.052 141 K CA 0.892 57.192 56.287 0.022 0.000 0.945 141 K CB -0.305 32.196 32.500 0.002 0.000 0.722 141 K HN 0.192 nan 8.250 nan 0.000 0.443 142 V N 1.433 121.322 119.914 -0.041 0.000 2.358 142 V HA -0.224 3.896 4.120 -0.000 0.000 0.246 142 V C 2.364 178.428 176.094 -0.051 0.000 1.047 142 V CA 1.697 63.932 62.300 -0.109 0.000 1.035 142 V CB -0.415 31.191 31.823 -0.362 0.000 0.658 142 V HN 0.217 nan 8.190 nan 0.000 0.452 143 R N -0.619 119.858 120.500 -0.038 0.000 2.081 143 R HA -0.221 4.119 4.340 -0.000 0.000 0.235 143 R C 1.961 178.270 176.300 0.014 0.000 1.131 143 R CA 2.043 58.127 56.100 -0.027 0.000 0.960 143 R CB -0.913 29.377 30.300 -0.017 0.000 0.856 143 R HN 0.613 nan 8.270 nan 0.000 0.436 144 W N 0.330 121.570 121.300 -0.100 0.000 2.338 144 W HA -0.157 4.503 4.660 -0.000 0.000 0.304 144 W C 1.543 178.005 176.519 -0.094 0.000 1.212 144 W CA 1.733 59.015 57.345 -0.106 0.000 1.264 144 W CB -0.234 29.134 29.460 -0.154 0.000 1.142 144 W HN 0.115 nan 8.180 nan 0.000 0.512 145 L N -0.267 121.105 121.223 0.249 0.000 2.046 145 L HA -0.255 4.085 4.340 -0.000 0.000 0.208 145 L C 2.343 179.159 176.870 -0.090 0.000 1.077 145 L CA 0.792 55.705 54.840 0.122 0.000 0.747 145 L CB -1.093 41.057 42.059 0.152 0.000 0.896 145 L HN 0.022 nan 8.230 nan 0.000 0.432 146 L N -0.514 120.656 121.223 -0.087 0.000 2.201 146 L HA -0.186 4.154 4.340 -0.000 0.000 0.212 146 L C 2.051 178.825 176.870 -0.160 0.000 1.105 146 L CA 1.586 56.358 54.840 -0.114 0.000 0.775 146 L CB -0.923 41.076 42.059 -0.101 0.000 0.913 146 L HN 0.237 nan 8.230 nan 0.000 0.440 147 D N -1.033 119.231 120.400 -0.227 0.000 2.162 147 D HA -0.057 4.583 4.640 -0.000 0.000 0.205 147 D C 1.714 177.805 176.300 -0.348 0.000 0.964 147 D CA 0.864 54.703 54.000 -0.269 0.000 0.847 147 D CB 0.042 40.660 40.800 -0.305 0.000 0.988 147 D HN 0.336 nan 8.370 nan 0.000 0.480 148 N N 0.168 118.536 118.700 -0.555 0.000 2.356 148 N HA 0.011 4.751 4.740 -0.000 0.000 0.178 148 N C 0.140 175.456 175.510 -0.324 0.000 1.075 148 N CA 0.110 52.820 53.050 -0.567 0.000 0.889 148 N CB 1.419 39.212 38.487 -1.156 0.000 0.999 148 N HN 0.116 nan 8.380 nan 0.000 0.464 149 I N 2.319 122.747 120.570 -0.236 0.000 2.297 149 I HA 0.095 4.265 4.170 -0.000 0.000 0.291 149 I C 0.917 176.976 176.117 -0.095 0.000 1.033 149 I CA -0.672 60.558 61.300 -0.116 0.000 1.253 149 I CB 0.319 38.281 38.000 -0.063 0.000 1.396 149 I HN -0.011 nan 8.210 nan 0.000 0.476 150 E N 4.892 125.047 120.200 -0.074 0.000 2.529 150 E HA 0.001 4.351 4.350 -0.000 0.000 0.259 150 E C 1.215 177.785 176.600 -0.049 0.000 0.966 150 E CA 1.085 57.449 56.400 -0.060 0.000 0.937 150 E CB 0.537 30.211 29.700 -0.042 0.000 0.923 150 E HN 0.929 nan 8.360 nan 0.000 0.468 151 G N 3.227 111.996 108.800 -0.051 0.000 2.189 151 G HA2 -0.413 3.547 3.960 -0.000 0.000 0.267 151 G HA3 -0.413 3.547 3.960 -0.000 0.000 0.267 151 G C 0.972 175.843 174.900 -0.049 0.000 0.975 151 G CA 0.922 45.996 45.100 -0.043 0.000 0.644 151 G HN 0.767 nan 8.290 nan 0.000 0.537 152 A N -0.453 122.331 122.820 -0.059 0.000 1.898 152 A HA 0.053 4.373 4.320 -0.000 0.000 0.216 152 A C 2.178 179.719 177.584 -0.072 0.000 1.181 152 A CA 2.422 54.421 52.037 -0.065 0.000 0.620 152 A CB -0.401 18.557 19.000 -0.071 0.000 0.819 152 A HN 0.778 nan 8.150 nan 0.000 0.442 153 Q N 0.078 119.833 119.800 -0.075 0.000 2.096 153 Q HA -0.214 4.126 4.340 -0.000 0.000 0.204 153 Q C 1.945 177.907 176.000 -0.064 0.000 0.982 153 Q CA 2.339 58.098 55.803 -0.074 0.000 0.850 153 Q CB -0.351 28.343 28.738 -0.073 0.000 0.901 153 Q HN 0.769 nan 8.270 nan 0.000 0.422 154 E N -0.341 119.826 120.200 -0.055 0.000 2.077 154 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 154 E C 1.715 178.287 176.600 -0.046 0.000 0.989 154 E CA 1.166 57.538 56.400 -0.045 0.000 0.800 154 E CB 0.028 29.706 29.700 -0.037 0.000 0.746 154 E HN 0.310 nan 8.360 nan 0.000 0.452 155 K N 0.007 120.378 120.400 -0.050 0.000 2.057 155 K HA -0.113 4.207 4.320 -0.000 0.000 0.207 155 K C 2.152 178.712 176.600 -0.068 0.000 1.049 155 K CA 0.999 57.255 56.287 -0.052 0.000 0.931 155 K CB -0.115 32.355 32.500 -0.051 0.000 0.714 155 K HN 0.120 nan 8.250 nan 0.000 0.440 156 A N 1.978 124.750 122.820 -0.080 0.000 1.877 156 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 156 A C 1.599 179.134 177.584 -0.080 0.000 1.186 156 A CA 1.877 53.856 52.037 -0.096 0.000 0.620 156 A CB -0.440 18.497 19.000 -0.104 0.000 0.822 156 A HN 0.172 nan 8.150 nan 0.000 0.443 157 D N 0.294 120.654 120.400 -0.066 0.000 2.218 157 D HA -0.091 4.549 4.640 -0.000 0.000 0.204 157 D C 0.763 177.036 176.300 -0.045 0.000 0.976 157 D CA 0.869 54.836 54.000 -0.054 0.000 0.853 157 D CB -0.290 40.482 40.800 -0.047 0.000 0.939 157 D HN 0.358 nan 8.370 nan 0.000 0.481 158 N N -0.317 118.357 118.700 -0.043 0.000 2.276 158 N HA 0.120 4.860 4.740 -0.000 0.000 0.212 158 N C 1.120 176.609 175.510 -0.034 0.000 1.127 158 N CA 0.546 53.576 53.050 -0.033 0.000 0.834 158 N CB 1.024 39.495 38.487 -0.026 0.000 1.014 158 N HN 0.168 nan 8.380 nan 0.000 0.491 159 G N 1.077 109.848 108.800 -0.048 0.000 2.168 159 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.263 159 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.263 159 G C 0.810 175.672 174.900 -0.063 0.000 0.977 159 G CA 0.515 45.583 45.100 -0.053 0.000 0.659 159 G HN 0.443 nan 8.290 nan 0.000 0.533 160 E N -1.226 118.934 120.200 -0.067 0.000 2.371 160 E HA 0.231 4.581 4.350 -0.000 0.000 0.194 160 E C 0.584 177.105 176.600 -0.132 0.000 1.012 160 E CA 0.096 56.456 56.400 -0.067 0.000 0.860 160 E CB 0.228 29.904 29.700 -0.039 0.000 0.811 160 E HN 0.378 nan 8.360 nan 0.000 0.502 161 L N 1.062 122.180 121.223 -0.174 0.000 2.309 161 L HA 0.391 4.731 4.340 -0.000 0.000 0.282 161 L C -0.597 176.025 176.870 -0.413 0.000 1.036 161 L CA -0.218 54.456 54.840 -0.276 0.000 0.806 161 L CB 1.317 43.257 42.059 -0.199 0.000 1.220 161 L HN -0.049 nan 8.230 nan 0.000 0.429 162 L N 2.981 123.746 121.223 -0.764 0.000 2.342 162 L HA 0.523 4.863 4.340 -0.000 0.000 0.271 162 L C -0.880 175.404 176.870 -0.976 0.000 1.008 162 L CA -0.705 53.539 54.840 -0.992 0.000 0.818 162 L CB 2.067 43.082 42.059 -1.741 0.000 1.296 162 L HN 0.410 nan 8.230 nan 0.000 0.427 163 F N 1.062 120.629 119.950 -0.639 0.000 2.470 163 F HA 0.864 5.391 4.527 0.000 0.000 0.329 163 F C -0.015 175.708 175.800 -0.129 0.000 1.072 163 F CA -0.777 56.999 58.000 -0.373 0.000 0.989 163 F CB 2.024 40.875 39.000 -0.249 0.000 1.193 163 F HN 0.341 nan 8.300 nan 0.000 0.481 164 G N 2.300 110.513 108.800 -0.979 0.000 2.752 164 G HA2 0.454 4.414 3.960 -0.000 0.000 0.298 164 G HA3 0.454 4.414 3.960 -0.000 0.000 0.298 164 G C -1.197 173.426 174.900 -0.461 0.000 1.434 164 G CA -0.407 44.328 45.100 -0.608 0.000 1.004 164 G HN 0.880 nan 8.290 nan 0.000 0.560 165 T N 0.608 114.936 114.554 -0.376 0.000 2.754 165 T HA 0.323 4.673 4.350 -0.000 0.000 0.286 165 T C 1.778 176.521 174.700 0.073 0.000 0.997 165 T CA -0.728 61.349 62.100 -0.038 0.000 0.982 165 T CB 0.863 69.756 68.868 0.042 0.000 1.027 165 T HN 0.220 nan 8.240 nan 0.000 0.529 166 I N 2.040 122.689 120.570 0.132 0.000 2.248 166 I HA -0.189 3.981 4.170 -0.000 0.000 0.248 166 I C 2.492 178.709 176.117 0.166 0.000 1.107 166 I CA 1.694 63.107 61.300 0.189 0.000 1.373 166 I CB -1.433 36.682 38.000 0.192 0.000 1.055 166 I HN 0.833 nan 8.210 nan 0.000 0.418 167 D N -0.049 120.403 120.400 0.086 0.000 2.104 167 D HA -0.214 4.426 4.640 -0.000 0.000 0.194 167 D C 2.114 178.427 176.300 0.022 0.000 0.994 167 D CA 1.731 55.746 54.000 0.025 0.000 0.830 167 D CB -0.596 40.180 40.800 -0.040 0.000 0.959 167 D HN 0.242 nan 8.370 nan 0.000 0.452 168 S N -0.517 115.219 115.700 0.059 0.000 2.368 168 S HA -0.155 4.315 4.470 -0.000 0.000 0.225 168 S C 1.625 176.371 174.600 0.244 0.000 1.030 168 S CA 1.250 59.538 58.200 0.146 0.000 0.999 168 S CB -0.843 62.460 63.200 0.171 0.000 0.844 168 S HN 0.582 nan 8.310 nan 0.000 0.459 169 W N 1.671 122.947 121.300 -0.040 0.000 2.355 169 W HA -0.141 4.519 4.660 0.000 0.000 0.309 169 W C 1.553 177.943 176.519 -0.216 0.000 1.206 169 W CA 1.040 58.194 57.345 -0.318 0.000 1.284 169 W CB -0.388 28.890 29.460 -0.303 0.000 1.145 169 W HN 0.325 nan 8.180 nan 0.000 0.502 170 L N 0.383 121.509 121.223 -0.162 0.000 2.046 170 L HA -0.242 4.098 4.340 -0.000 0.000 0.208 170 L C 2.386 179.091 176.870 -0.275 0.000 1.077 170 L CA 1.091 55.782 54.840 -0.248 0.000 0.747 170 L CB -1.315 40.751 42.059 0.012 0.000 0.896 170 L HN -0.182 nan 8.230 nan 0.000 0.432 171 V N -0.601 119.225 119.914 -0.146 0.000 2.515 171 V HA -0.275 3.845 4.120 -0.000 0.000 0.250 171 V C 2.111 178.105 176.094 -0.165 0.000 1.058 171 V CA 1.598 63.819 62.300 -0.131 0.000 1.064 171 V CB -0.624 31.148 31.823 -0.085 0.000 0.675 171 V HN 0.658 nan 8.190 nan 0.000 0.461 172 W N 1.450 122.553 121.300 -0.328 0.000 2.355 172 W HA -0.168 4.492 4.660 0.000 0.000 0.309 172 W C 2.161 178.307 176.519 -0.622 0.000 1.206 172 W CA 1.629 58.757 57.345 -0.362 0.000 1.284 172 W CB -0.317 28.915 29.460 -0.381 0.000 1.145 172 W HN 0.168 nan 8.180 nan 0.000 0.502 173 K N 0.915 120.811 120.400 -0.840 0.000 2.057 173 K HA -0.112 4.208 4.320 -0.000 0.000 0.206 173 K C 2.180 178.214 176.600 -0.944 0.000 1.050 173 K CA 1.346 56.879 56.287 -1.256 0.000 0.935 173 K CB -1.151 29.995 32.500 -2.257 0.000 0.715 173 K HN 0.341 nan 8.250 nan 0.000 0.439 174 L N 1.199 122.037 121.223 -0.642 0.000 2.265 174 L HA -0.113 4.227 4.340 -0.000 0.000 0.215 174 L C 1.854 178.541 176.870 -0.305 0.000 1.117 174 L CA 1.503 56.155 54.840 -0.314 0.000 0.782 174 L CB -0.514 41.456 42.059 -0.148 0.000 0.914 174 L HN 0.291 nan 8.230 nan 0.000 0.441 175 T N -6.562 107.771 114.554 -0.367 0.000 3.084 175 T HA 0.108 4.458 4.350 -0.000 0.000 0.270 175 T C 0.358 174.818 174.700 -0.400 0.000 1.008 175 T CA -0.417 61.502 62.100 -0.301 0.000 0.900 175 T CB 0.112 68.846 68.868 -0.222 0.000 1.084 175 T HN 0.093 nan 8.240 nan 0.000 0.538 176 D N 1.696 121.765 120.400 -0.551 0.000 2.686 176 D HA -0.164 4.476 4.640 -0.000 0.000 0.235 176 D C 1.355 177.110 176.300 -0.910 0.000 1.160 176 D CA 1.739 55.368 54.000 -0.619 0.000 0.645 176 D CB -1.643 38.998 40.800 -0.264 0.000 1.039 176 D HN 0.987 nan 8.370 nan 0.000 0.423 177 G N -0.364 107.521 108.800 -1.525 0.000 2.179 177 G HA2 -0.428 3.532 3.960 -0.000 0.000 0.260 177 G HA3 -0.428 3.532 3.960 -0.000 0.000 0.260 177 G C 0.919 175.439 174.900 -0.635 0.000 0.977 177 G CA 0.694 44.665 45.100 -1.883 0.000 0.641 177 G HN 0.517 nan 8.290 nan 0.000 0.533 178 Q N -0.753 118.809 119.800 -0.396 0.000 2.488 178 Q HA 0.309 4.649 4.340 -0.000 0.000 0.211 178 Q C 0.357 176.327 176.000 -0.050 0.000 0.967 178 Q CA 1.002 56.709 55.803 -0.160 0.000 0.926 178 Q CB 0.567 29.228 28.738 -0.128 0.000 0.992 178 Q HN 0.459 nan 8.270 nan 0.000 0.506 179 V N 0.621 120.514 119.914 -0.036 0.000 2.567 179 V HA 0.163 4.283 4.120 -0.000 0.000 0.298 179 V C -1.410 174.835 176.094 0.252 0.000 1.047 179 V CA -0.911 61.441 62.300 0.087 0.000 0.880 179 V CB 1.560 33.410 31.823 0.045 0.000 1.009 179 V HN 0.098 nan 8.190 nan 0.000 0.429 180 H N 3.778 122.968 119.070 0.200 0.000 2.786 180 H HA 0.808 5.364 4.556 -0.000 0.000 0.284 180 H C -1.154 174.274 175.328 0.166 0.000 1.104 180 H CA -0.289 55.933 56.048 0.291 0.000 1.339 180 H CB 1.378 31.346 29.762 0.344 0.000 1.427 180 H HN 0.481 nan 8.280 nan 0.000 0.497 181 V N 3.865 123.809 119.914 0.051 0.000 3.181 181 V HA 0.759 4.879 4.120 -0.000 0.000 0.308 181 V C -1.038 174.965 176.094 -0.152 0.000 1.214 181 V CA -0.195 62.054 62.300 -0.085 0.000 1.053 181 V CB 2.563 34.348 31.823 -0.063 0.000 1.069 181 V HN 0.811 nan 8.190 nan 0.000 0.441 182 T N 1.591 116.030 114.554 -0.191 0.000 2.840 182 T HA 0.417 4.767 4.350 -0.000 0.000 0.317 182 T C -1.925 172.598 174.700 -0.295 0.000 1.401 182 T CA -0.359 61.612 62.100 -0.215 0.000 1.028 182 T CB 1.602 70.411 68.868 -0.099 0.000 1.317 182 T HN 1.021 nan 8.240 nan 0.000 0.495 183 D N 1.890 122.113 120.400 -0.295 0.000 2.332 183 D HA 0.199 4.839 4.640 -0.000 0.000 0.252 183 D C 0.674 176.796 176.300 -0.296 0.000 1.050 183 D CA -0.504 53.317 54.000 -0.299 0.000 0.970 183 D CB 0.850 41.544 40.800 -0.178 0.000 1.141 183 D HN 0.495 nan 8.370 nan 0.000 0.485 184 Y N 0.588 120.754 120.300 -0.224 0.000 2.151 184 Y HA -0.294 4.257 4.550 0.000 0.000 0.284 184 Y C 3.036 178.777 175.900 -0.265 0.000 1.166 184 Y CA 1.861 59.772 58.100 -0.315 0.000 1.163 184 Y CB -1.002 37.351 38.460 -0.178 0.000 0.974 184 Y HN 0.565 nan 8.280 nan 0.000 0.511 185 S N -0.213 115.504 115.700 0.028 0.000 2.356 185 S HA -0.231 4.239 4.470 -0.000 0.000 0.223 185 S C 1.821 176.401 174.600 -0.033 0.000 1.032 185 S CA 1.626 59.833 58.200 0.011 0.000 1.005 185 S CB -0.969 62.267 63.200 0.059 0.000 0.867 185 S HN 0.572 nan 8.310 nan 0.000 0.449 186 N N 1.976 120.641 118.700 -0.058 0.000 2.120 186 N HA 0.108 4.848 4.740 -0.000 0.000 0.188 186 N C 2.026 177.515 175.510 -0.036 0.000 1.024 186 N CA 1.159 54.187 53.050 -0.037 0.000 0.852 186 N CB -0.472 37.990 38.487 -0.041 0.000 1.003 186 N HN 0.603 nan 8.380 nan 0.000 0.424 187 A N 0.497 123.214 122.820 -0.173 0.000 1.933 187 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 187 A C 2.182 179.658 177.584 -0.181 0.000 1.175 187 A CA 1.839 53.705 52.037 -0.286 0.000 0.628 187 A CB -0.859 17.528 19.000 -1.022 0.000 0.814 187 A HN 0.428 nan 8.150 nan 0.000 0.444 188 S N -0.565 115.039 115.700 -0.160 0.000 2.469 188 S HA -0.110 4.360 4.470 -0.000 0.000 0.238 188 S C 1.605 176.197 174.600 -0.013 0.000 0.998 188 S CA 0.895 59.096 58.200 0.002 0.000 0.957 188 S CB -0.294 62.910 63.200 0.007 0.000 0.764 188 S HN 0.511 nan 8.310 nan 0.000 0.514 189 R N 1.472 121.981 120.500 0.015 0.000 2.310 189 R HA 0.126 4.466 4.340 -0.000 0.000 0.202 189 R C 2.151 178.527 176.300 0.125 0.000 0.933 189 R CA 1.123 57.247 56.100 0.040 0.000 1.054 189 R CB -1.507 28.838 30.300 0.076 0.000 0.985 189 R HN 0.811 nan 8.270 nan 0.000 0.489 190 T N -2.547 112.114 114.554 0.178 0.000 3.023 190 T HA 0.010 4.360 4.350 -0.000 0.000 0.266 190 T C 1.340 176.138 174.700 0.163 0.000 1.093 190 T CA 0.584 62.846 62.100 0.269 0.000 1.129 190 T CB -0.041 69.111 68.868 0.473 0.000 0.899 190 T HN 0.228 nan 8.240 nan 0.000 0.491 191 M N -0.540 119.088 119.600 0.046 0.000 2.899 191 M HA -0.162 4.318 4.480 -0.000 0.000 0.195 191 M C -0.179 176.162 176.300 0.068 0.000 0.603 191 M CA 0.679 55.962 55.300 -0.028 0.000 0.712 191 M CB -1.384 31.207 32.600 -0.015 0.000 2.569 191 M HN 0.419 nan 8.290 nan 0.000 0.406 192 L N -1.297 120.043 121.223 0.195 0.000 2.878 192 L HA 0.259 4.599 4.340 -0.000 0.000 0.253 192 L C 0.228 177.372 176.870 0.456 0.000 1.135 192 L CA -0.236 54.762 54.840 0.263 0.000 0.943 192 L CB 0.477 42.680 42.059 0.239 0.000 1.307 192 L HN 0.360 nan 8.230 nan 0.000 0.545 193 Y N 1.671 122.098 120.300 0.213 0.000 2.330 193 Y HA 0.322 4.872 4.550 0.000 0.000 0.336 193 Y C 0.247 176.108 175.900 -0.065 0.000 1.036 193 Y CA -1.016 57.088 58.100 0.007 0.000 1.125 193 Y CB 0.913 39.226 38.460 -0.244 0.000 1.194 193 Y HN -0.088 nan 8.280 nan 0.000 0.469 194 N N 6.963 125.333 118.700 -0.549 0.000 2.406 194 N HA 0.046 4.786 4.740 -0.000 0.000 0.251 194 N C 0.882 176.041 175.510 -0.585 0.000 1.069 194 N CA -0.012 52.791 53.050 -0.412 0.000 0.947 194 N CB 0.478 38.790 38.487 -0.291 0.000 1.111 194 N HN 0.928 nan 8.380 nan 0.000 0.497 195 I N 1.037 121.384 120.570 -0.372 0.000 3.176 195 I HA -0.038 4.132 4.170 -0.000 0.000 0.275 195 I C 0.332 176.240 176.117 -0.348 0.000 1.298 195 I CA 0.691 61.820 61.300 -0.286 0.000 1.445 195 I CB -0.188 37.691 38.000 -0.202 0.000 1.075 195 I HN 0.420 nan 8.210 nan 0.000 0.482 196 H N 2.114 121.114 119.070 -0.116 0.000 2.422 196 H HA 0.107 4.663 4.556 0.000 0.000 0.303 196 H C 1.878 177.137 175.328 -0.115 0.000 1.033 196 H CA 0.991 56.977 56.048 -0.102 0.000 1.335 196 H CB 0.088 29.763 29.762 -0.145 0.000 1.458 196 H HN 0.323 nan 8.280 nan 0.000 0.556 197 K N 1.718 122.089 120.400 -0.050 0.000 2.487 197 K HA 0.085 4.405 4.320 -0.000 0.000 0.192 197 K C -0.141 176.367 176.600 -0.153 0.000 1.027 197 K CA 0.198 56.434 56.287 -0.085 0.000 1.054 197 K CB 0.307 32.757 32.500 -0.083 0.000 0.824 197 K HN 0.159 nan 8.250 nan 0.000 0.510 198 L N 2.329 123.393 121.223 -0.265 0.000 3.746 198 L HA -0.290 4.050 4.340 -0.000 0.000 0.542 198 L C -0.955 175.727 176.870 -0.313 0.000 1.268 198 L CA 1.020 55.684 54.840 -0.293 0.000 0.818 198 L CB -1.802 40.199 42.059 -0.096 0.000 1.472 198 L HN 0.682 nan 8.230 nan 0.000 0.843 199 E N -1.516 118.225 120.200 -0.765 0.000 2.403 199 E HA 0.341 4.691 4.350 -0.000 0.000 0.280 199 E C -1.009 175.269 176.600 -0.536 0.000 1.101 199 E CA -1.189 54.947 56.400 -0.439 0.000 0.856 199 E CB 0.437 30.062 29.700 -0.125 0.000 1.303 199 E HN 0.146 nan 8.360 nan 0.000 0.441 200 W N 1.685 123.000 121.300 0.026 0.000 2.257 200 W HA 0.082 4.742 4.660 -0.000 0.000 0.337 200 W C 0.548 177.039 176.519 -0.047 0.000 1.321 200 W CA 0.225 57.613 57.345 0.072 0.000 1.267 200 W CB 0.432 29.966 29.460 0.124 0.000 1.187 200 W HN 0.370 nan 8.180 nan 0.000 0.565 201 D N 3.142 123.658 120.400 0.192 0.000 2.365 201 D HA -0.046 4.594 4.640 -0.000 0.000 0.237 201 D C 1.033 177.378 176.300 0.074 0.000 1.190 201 D CA -0.060 53.980 54.000 0.067 0.000 0.867 201 D CB 1.227 42.037 40.800 0.017 0.000 1.050 201 D HN 0.423 nan 8.370 nan 0.000 0.491 202 Q N 2.952 122.786 119.800 0.055 0.000 2.135 202 Q HA -0.217 4.123 4.340 -0.000 0.000 0.204 202 Q C 1.444 177.446 176.000 0.004 0.000 0.981 202 Q CA 1.628 57.450 55.803 0.033 0.000 0.856 202 Q CB 0.077 28.831 28.738 0.027 0.000 0.902 202 Q HN 0.489 nan 8.270 nan 0.000 0.425 203 E N -0.200 119.998 120.200 -0.003 0.000 2.051 203 E HA -0.121 4.229 4.350 -0.000 0.000 0.192 203 E C 1.763 178.337 176.600 -0.043 0.000 0.991 203 E CA 1.467 57.855 56.400 -0.021 0.000 0.799 203 E CB -0.297 29.393 29.700 -0.017 0.000 0.748 203 E HN 0.517 nan 8.360 nan 0.000 0.449 204 I N 0.140 120.690 120.570 -0.033 0.000 2.226 204 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 204 I C 2.247 178.331 176.117 -0.056 0.000 1.100 204 I CA 0.792 62.061 61.300 -0.051 0.000 1.374 204 I CB -0.296 37.694 38.000 -0.016 0.000 1.057 204 I HN 0.143 nan 8.210 nan 0.000 0.413 205 L N 0.332 121.536 121.223 -0.033 0.000 2.042 205 L HA -0.261 4.079 4.340 -0.000 0.000 0.210 205 L C 2.133 178.963 176.870 -0.066 0.000 1.076 205 L CA 1.386 56.192 54.840 -0.057 0.000 0.749 205 L CB -0.739 41.294 42.059 -0.043 0.000 0.893 205 L HN 0.294 nan 8.230 nan 0.000 0.432 206 D N -0.190 120.178 120.400 -0.053 0.000 2.183 206 D HA -0.136 4.504 4.640 -0.000 0.000 0.203 206 D C 2.087 178.347 176.300 -0.066 0.000 0.969 206 D CA 0.806 54.774 54.000 -0.052 0.000 0.842 206 D CB -0.031 40.747 40.800 -0.037 0.000 0.957 206 D HN 0.143 nan 8.370 nan 0.000 0.484 207 L N 0.359 121.529 121.223 -0.089 0.000 2.083 207 L HA -0.069 4.271 4.340 -0.000 0.000 0.209 207 L C 1.699 178.509 176.870 -0.100 0.000 1.083 207 L CA 1.519 56.284 54.840 -0.125 0.000 0.752 207 L CB -0.266 41.658 42.059 -0.225 0.000 0.899 207 L HN -0.019 nan 8.230 nan 0.000 0.433 208 L N -0.383 120.785 121.223 -0.092 0.000 2.700 208 L HA 0.168 4.508 4.340 -0.000 0.000 0.234 208 L C 0.561 177.382 176.870 -0.081 0.000 1.156 208 L CA -0.025 54.766 54.840 -0.080 0.000 0.946 208 L CB -0.442 41.566 42.059 -0.085 0.000 1.216 208 L HN 0.394 nan 8.230 nan 0.000 0.493 209 N N 1.771 120.426 118.700 -0.076 0.000 2.705 209 N HA -0.243 4.497 4.740 -0.000 0.000 0.255 209 N C -0.635 174.820 175.510 -0.091 0.000 1.008 209 N CA 0.543 53.549 53.050 -0.073 0.000 0.742 209 N CB -1.056 37.393 38.487 -0.063 0.000 0.906 209 N HN 0.373 nan 8.380 nan 0.000 0.541 210 I N 0.857 121.363 120.570 -0.108 0.000 2.328 210 I HA 0.323 4.493 4.170 -0.000 0.000 0.287 210 I C -1.937 174.100 176.117 -0.133 0.000 1.012 210 I CA -2.086 59.129 61.300 -0.142 0.000 1.195 210 I CB 1.478 39.362 38.000 -0.194 0.000 1.350 210 I HN 0.037 nan 8.210 nan 0.000 0.464 211 P HA 0.025 nan 4.420 nan 0.000 0.267 211 P C 0.784 178.006 177.300 -0.129 0.000 1.205 211 P CA -0.066 62.971 63.100 -0.104 0.000 0.765 211 P CB 0.779 32.424 31.700 -0.092 0.000 0.828 212 S N 1.240 116.878 115.700 -0.104 0.000 2.442 212 S HA -0.159 4.311 4.470 -0.000 0.000 0.236 212 S C 1.710 176.243 174.600 -0.112 0.000 1.007 212 S CA 1.279 59.405 58.200 -0.123 0.000 0.965 212 S CB -1.244 61.927 63.200 -0.048 0.000 0.773 212 S HN 0.500 nan 8.310 nan 0.000 0.504 213 S N 1.712 117.366 115.700 -0.077 0.000 2.469 213 S HA 0.037 4.507 4.470 -0.000 0.000 0.238 213 S C 1.732 176.288 174.600 -0.073 0.000 0.998 213 S CA 0.957 59.125 58.200 -0.053 0.000 0.957 213 S CB -0.759 62.414 63.200 -0.044 0.000 0.764 213 S HN 0.573 nan 8.310 nan 0.000 0.514 214 M N 0.766 120.293 119.600 -0.121 0.000 2.419 214 M HA 0.238 4.718 4.480 -0.000 0.000 0.264 214 M C 0.083 176.347 176.300 -0.059 0.000 1.082 214 M CA 0.515 55.734 55.300 -0.136 0.000 1.119 214 M CB -0.365 32.144 32.600 -0.152 0.000 1.398 214 M HN 0.272 nan 8.290 nan 0.000 0.453 215 L N 2.293 123.415 121.223 -0.168 0.000 2.397 215 L HA 0.270 4.610 4.340 -0.000 0.000 0.271 215 L C -2.033 174.730 176.870 -0.180 0.000 1.148 215 L CA -1.998 52.651 54.840 -0.318 0.000 0.825 215 L CB -0.308 41.177 42.059 -0.957 0.000 1.117 215 L HN -0.109 nan 8.230 nan 0.000 0.456 216 P HA 0.177 nan 4.420 nan 0.000 0.278 216 P C -0.931 176.417 177.300 0.081 0.000 1.258 216 P CA -0.662 62.101 63.100 -0.562 0.000 0.811 216 P CB 0.785 31.956 31.700 -0.882 0.000 1.063 217 E N -0.276 119.952 120.200 0.047 0.000 2.390 217 E HA 0.260 4.610 4.350 -0.000 0.000 0.261 217 E C -0.462 176.168 176.600 0.051 0.000 1.076 217 E CA -0.600 55.876 56.400 0.127 0.000 0.905 217 E CB 0.552 30.300 29.700 0.079 0.000 0.984 217 E HN 0.163 nan 8.360 nan 0.000 0.427 218 V N 3.176 123.081 119.914 -0.014 0.000 2.370 218 V HA 0.265 4.385 4.120 -0.000 0.000 0.283 218 V C 0.108 176.020 176.094 -0.303 0.000 1.023 218 V CA -0.488 61.672 62.300 -0.232 0.000 0.857 218 V CB 1.034 32.604 31.823 -0.421 0.000 0.985 218 V HN 0.576 nan 8.190 nan 0.000 0.443 219 K N 1.827 121.994 120.400 -0.389 0.000 2.279 219 K HA 0.653 4.973 4.320 -0.000 0.000 0.238 219 K C 0.321 176.490 176.600 -0.718 0.000 1.084 219 K CA -0.631 55.421 56.287 -0.391 0.000 0.885 219 K CB 1.884 34.376 32.500 -0.013 0.000 1.319 219 K HN 0.732 nan 8.250 nan 0.000 0.494 220 S N -0.287 115.162 115.700 -0.419 0.000 2.634 220 S HA 0.041 4.511 4.470 -0.000 0.000 0.254 220 S C 0.516 175.106 174.600 -0.017 0.000 1.299 220 S CA -0.039 58.025 58.200 -0.226 0.000 0.974 220 S CB 0.217 63.430 63.200 0.022 0.000 1.001 220 S HN 0.580 nan 8.310 nan 0.000 0.584 221 N N -0.146 118.599 118.700 0.075 0.000 2.336 221 N HA 0.185 4.925 4.740 -0.000 0.000 0.189 221 N C -0.477 175.055 175.510 0.036 0.000 1.113 221 N CA 0.213 53.309 53.050 0.076 0.000 0.858 221 N CB 0.574 39.081 38.487 0.034 0.000 0.970 221 N HN 0.467 nan 8.380 nan 0.000 0.471 222 S N 0.563 116.247 115.700 -0.026 0.000 2.620 222 S HA 0.290 4.760 4.470 -0.000 0.000 0.244 222 S C -1.653 172.829 174.600 -0.196 0.000 1.192 222 S CA -0.671 57.463 58.200 -0.110 0.000 1.148 222 S CB -0.172 62.969 63.200 -0.098 0.000 1.106 222 S HN 0.334 nan 8.310 nan 0.000 0.474 223 E N 1.063 121.009 120.200 -0.423 0.000 2.398 223 E HA 0.283 4.633 4.350 -0.000 0.000 0.280 223 E C -1.680 174.471 176.600 -0.747 0.000 1.122 223 E CA -1.145 54.976 56.400 -0.465 0.000 0.873 223 E CB 0.500 29.973 29.700 -0.379 0.000 1.294 223 E HN 0.173 nan 8.360 nan 0.000 0.435 224 V N 3.265 122.898 119.914 -0.469 0.000 2.397 224 V HA 0.009 4.129 4.120 -0.000 0.000 0.262 224 V C 0.045 175.902 176.094 -0.394 0.000 1.047 224 V CA 0.150 62.200 62.300 -0.416 0.000 1.003 224 V CB -0.992 30.684 31.823 -0.245 0.000 1.037 224 V HN 0.617 nan 8.190 nan 0.000 0.480 225 Y N 3.631 123.857 120.300 -0.122 0.000 2.395 225 Y HA 0.376 4.926 4.550 -0.000 0.000 0.293 225 Y C 1.566 177.421 175.900 -0.075 0.000 1.123 225 Y CA 0.842 58.888 58.100 -0.090 0.000 1.227 225 Y CB -0.007 38.398 38.460 -0.092 0.000 1.012 225 Y HN 0.757 nan 8.280 nan 0.000 0.552 226 G N -2.068 106.731 108.800 -0.001 0.000 2.323 226 G HA2 0.303 4.263 3.960 -0.000 0.000 0.291 226 G HA3 0.303 4.263 3.960 -0.000 0.000 0.291 226 G C -2.102 172.713 174.900 -0.142 0.000 1.278 226 G CA -1.034 44.072 45.100 0.011 0.000 0.860 226 G HN 0.065 nan 8.290 nan 0.000 0.504 227 H N -0.417 118.612 119.070 -0.067 0.000 2.690 227 H HA 0.681 5.237 4.556 0.000 0.000 0.368 227 H C 0.634 175.888 175.328 -0.124 0.000 1.150 227 H CA 0.233 56.221 56.048 -0.101 0.000 1.174 227 H CB 1.804 31.517 29.762 -0.082 0.000 1.684 227 H HN 0.749 nan 8.280 nan 0.000 0.538 228 T N 0.285 114.797 114.554 -0.069 0.000 2.856 228 T HA 0.211 4.561 4.350 -0.000 0.000 0.306 228 T C 0.570 175.231 174.700 -0.065 0.000 1.062 228 T CA -0.979 61.050 62.100 -0.118 0.000 1.083 228 T CB 0.597 69.355 68.868 -0.184 0.000 0.984 228 T HN 0.297 nan 8.240 nan 0.000 0.542 229 R N 1.733 122.161 120.500 -0.121 0.000 2.643 229 R HA 0.141 4.481 4.340 -0.000 0.000 0.270 229 R C 1.777 178.043 176.300 -0.057 0.000 1.061 229 R CA 0.001 56.051 56.100 -0.084 0.000 1.107 229 R CB 0.599 30.812 30.300 -0.145 0.000 0.999 229 R HN 0.945 nan 8.270 nan 0.000 0.460 230 S N 2.384 118.115 115.700 0.050 0.000 2.359 230 S HA -0.252 4.218 4.470 -0.000 0.000 0.223 230 S C 1.915 176.585 174.600 0.117 0.000 1.039 230 S CA 2.164 60.418 58.200 0.090 0.000 1.042 230 S CB -0.309 62.955 63.200 0.108 0.000 0.915 230 S HN 0.684 nan 8.310 nan 0.000 0.439 231 Y N 0.760 121.105 120.300 0.076 0.000 2.352 231 Y HA 0.174 4.724 4.550 -0.000 0.000 0.292 231 Y C 2.103 178.083 175.900 0.132 0.000 1.136 231 Y CA 0.898 59.059 58.100 0.102 0.000 1.227 231 Y CB -0.425 38.081 38.460 0.078 0.000 0.991 231 Y HN 0.062 nan 8.280 nan 0.000 0.545 232 R N 0.039 120.177 120.500 -0.603 0.000 2.189 232 R HA -0.027 4.313 4.340 -0.000 0.000 0.223 232 R C 0.138 176.373 176.300 -0.108 0.000 1.092 232 R CA 0.777 56.653 56.100 -0.373 0.000 0.989 232 R CB -0.696 29.411 30.300 -0.321 0.000 0.876 232 R HN 0.501 nan 8.270 nan 0.000 0.457 233 F N 0.105 119.870 119.950 -0.309 0.000 2.818 233 F HA 0.203 4.730 4.527 -0.000 0.000 0.369 233 F C -0.497 175.081 175.800 -0.369 0.000 1.327 233 F CA -0.612 57.122 58.000 -0.443 0.000 1.211 233 F CB 0.161 39.037 39.000 -0.205 0.000 1.036 233 F HN 0.028 nan 8.300 nan 0.000 0.510 234 Y N -0.672 119.582 120.300 -0.076 0.000 3.078 234 Y HA -0.292 4.258 4.550 0.000 0.000 0.202 234 Y C 1.414 177.278 175.900 -0.060 0.000 1.322 234 Y CA 0.168 58.195 58.100 -0.121 0.000 1.118 234 Y CB -1.655 36.612 38.460 -0.321 0.000 1.343 234 Y HN 0.534 nan 8.280 nan 0.000 0.499 235 G N -0.715 108.172 108.800 0.146 0.000 2.176 235 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.253 235 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.253 235 G C -0.113 174.837 174.900 0.083 0.000 0.979 235 G CA 0.171 45.331 45.100 0.099 0.000 0.641 235 G HN 0.547 nan 8.290 nan 0.000 0.530 236 S N 0.174 115.936 115.700 0.103 0.000 2.502 236 S HA 0.536 5.006 4.470 -0.000 0.000 0.304 236 S C -0.391 174.273 174.600 0.106 0.000 1.097 236 S CA -0.636 57.628 58.200 0.106 0.000 1.045 236 S CB 1.853 65.134 63.200 0.134 0.000 1.019 236 S HN 0.355 nan 8.310 nan 0.000 0.481 237 E N 2.135 122.375 120.200 0.067 0.000 1.936 237 E HA 0.286 4.636 4.350 -0.000 0.000 0.267 237 E C -0.832 175.833 176.600 0.108 0.000 1.076 237 E CA -0.280 56.155 56.400 0.058 0.000 0.870 237 E CB 0.656 30.362 29.700 0.010 0.000 1.093 237 E HN 0.242 nan 8.360 nan 0.000 0.411 238 V N 4.683 124.588 119.914 -0.016 0.000 2.567 238 V HA 0.225 4.345 4.120 -0.000 0.000 0.289 238 V C -2.116 173.841 176.094 -0.229 0.000 1.049 238 V CA -2.243 59.986 62.300 -0.118 0.000 0.969 238 V CB 1.245 32.843 31.823 -0.376 0.000 0.995 238 V HN 0.493 nan 8.190 nan 0.000 0.471 239 P HA 0.266 nan 4.420 nan 0.000 0.271 239 P C -0.577 176.497 177.300 -0.377 0.000 1.220 239 P CA 0.054 62.804 63.100 -0.584 0.000 0.768 239 P CB 0.337 31.765 31.700 -0.454 0.000 0.848 240 I N 2.755 123.134 120.570 -0.318 0.000 2.291 240 I HA 0.338 4.508 4.170 -0.000 0.000 0.290 240 I C 0.937 177.027 176.117 -0.044 0.000 1.050 240 I CA 0.002 61.221 61.300 -0.136 0.000 1.245 240 I CB 0.839 38.803 38.000 -0.060 0.000 1.405 240 I HN 0.381 nan 8.210 nan 0.000 0.478 241 A N 4.927 127.711 122.820 -0.060 0.000 2.585 241 A HA 0.613 4.933 4.320 -0.000 0.000 0.266 241 A C 0.643 178.200 177.584 -0.045 0.000 1.178 241 A CA -0.123 51.818 52.037 -0.161 0.000 0.966 241 A CB 0.478 19.360 19.000 -0.196 0.000 1.170 241 A HN 0.685 nan 8.150 nan 0.000 0.558 242 G N -0.095 108.808 108.800 0.171 0.000 2.719 242 G HA2 0.589 4.549 3.960 -0.000 0.000 0.298 242 G HA3 0.589 4.549 3.960 -0.000 0.000 0.298 242 G C -1.112 173.897 174.900 0.182 0.000 1.433 242 G CA -0.382 44.812 45.100 0.158 0.000 1.034 242 G HN 0.077 nan 8.290 nan 0.000 0.517 243 M N 1.005 120.682 119.600 0.128 0.000 2.322 243 M HA 0.697 5.177 4.480 -0.000 0.000 0.286 243 M C -0.620 175.651 176.300 -0.047 0.000 1.111 243 M CA -0.508 54.761 55.300 -0.051 0.000 0.941 243 M CB 2.772 35.169 32.600 -0.339 0.000 1.671 243 M HN 0.929 nan 8.290 nan 0.000 0.470 244 A N 1.606 124.399 122.820 -0.044 0.000 2.594 244 A HA 0.756 5.076 4.320 -0.000 0.000 0.296 244 A C -0.533 177.047 177.584 -0.007 0.000 1.056 244 A CA -0.519 51.506 52.037 -0.020 0.000 0.693 244 A CB 0.912 19.904 19.000 -0.014 0.000 1.278 244 A HN 0.951 nan 8.150 nan 0.000 0.408 245 G N 0.541 109.341 108.800 -0.001 0.000 2.554 245 G HA2 0.355 4.315 3.960 -0.000 0.000 0.238 245 G HA3 0.355 4.315 3.960 -0.000 0.000 0.238 245 G C 0.557 175.453 174.900 -0.007 0.000 1.259 245 G CA 0.574 45.667 45.100 -0.010 0.000 0.843 245 G HN 0.990 nan 8.290 nan 0.000 0.582 246 D N 0.796 121.182 120.400 -0.023 0.000 2.104 246 D HA -0.200 4.440 4.640 -0.000 0.000 0.194 246 D C 1.895 178.191 176.300 -0.007 0.000 0.994 246 D CA 1.344 55.341 54.000 -0.006 0.000 0.830 246 D CB -0.199 40.600 40.800 -0.001 0.000 0.959 246 D HN 0.354 nan 8.370 nan 0.000 0.452 247 Q N -0.056 119.704 119.800 -0.067 0.000 2.124 247 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 247 Q C 2.258 178.293 176.000 0.058 0.000 0.977 247 Q CA 1.267 57.056 55.803 -0.023 0.000 0.850 247 Q CB -0.389 28.283 28.738 -0.110 0.000 0.901 247 Q HN 0.479 nan 8.270 nan 0.000 0.429 248 Q N 0.192 120.033 119.800 0.069 0.000 2.172 248 Q HA 0.045 4.385 4.340 -0.000 0.000 0.200 248 Q C 1.985 178.084 176.000 0.165 0.000 0.964 248 Q CA 1.360 57.252 55.803 0.148 0.000 0.855 248 Q CB -0.316 28.514 28.738 0.154 0.000 0.918 248 Q HN 0.411 nan 8.270 nan 0.000 0.444 249 A N 0.623 123.504 122.820 0.101 0.000 1.902 249 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 249 A C 2.239 179.897 177.584 0.124 0.000 1.181 249 A CA 1.672 53.767 52.037 0.096 0.000 0.623 249 A CB -0.958 18.071 19.000 0.049 0.000 0.818 249 A HN 0.384 nan 8.150 nan 0.000 0.443 250 A N -0.472 122.405 122.820 0.094 0.000 1.902 250 A HA -0.034 4.286 4.320 -0.000 0.000 0.217 250 A C 2.143 179.777 177.584 0.084 0.000 1.181 250 A CA 1.691 53.775 52.037 0.078 0.000 0.623 250 A CB -0.644 18.401 19.000 0.075 0.000 0.818 250 A HN 0.706 nan 8.150 nan 0.000 0.443 251 L N -1.696 119.599 121.223 0.119 0.000 2.012 251 L HA -0.134 4.206 4.340 -0.000 0.000 0.210 251 L C 2.224 179.149 176.870 0.091 0.000 1.073 251 L CA 2.328 57.239 54.840 0.119 0.000 0.748 251 L CB -0.645 41.536 42.059 0.203 0.000 0.891 251 L HN 0.400 nan 8.230 nan 0.000 0.431 252 F N 0.267 120.224 119.950 0.011 0.000 2.134 252 F HA -0.054 4.473 4.527 -0.000 0.000 0.299 252 F C 2.244 178.060 175.800 0.027 0.000 1.097 252 F CA 1.697 59.697 58.000 -0.000 0.000 1.264 252 F CB -0.836 38.113 39.000 -0.085 0.000 1.001 252 F HN 0.159 nan 8.300 nan 0.000 0.479 253 G N -0.901 108.006 108.800 0.177 0.000 2.448 253 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.219 253 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.219 253 G C 1.375 176.247 174.900 -0.047 0.000 1.127 253 G CA 0.414 45.553 45.100 0.066 0.000 0.766 253 G HN 0.332 nan 8.290 nan 0.000 0.552 254 Q N -0.427 119.302 119.800 -0.119 0.000 2.444 254 Q HA 0.135 4.476 4.340 -0.000 0.000 0.206 254 Q C 1.056 176.831 176.000 -0.376 0.000 0.948 254 Q CA 0.059 55.759 55.803 -0.171 0.000 0.946 254 Q CB 0.033 28.709 28.738 -0.103 0.000 1.027 254 Q HN 0.416 nan 8.270 nan 0.000 0.513 255 M N -1.847 117.331 119.600 -0.703 0.000 2.818 255 M HA -0.207 4.273 4.480 -0.000 0.000 0.194 255 M C 0.071 175.585 176.300 -1.311 0.000 0.586 255 M CA 0.937 55.362 55.300 -1.459 0.000 0.664 255 M CB -2.891 29.225 32.600 -0.807 0.000 2.418 255 M HN 0.153 nan 8.290 nan 0.000 0.517 256 A N -0.074 122.285 122.820 -0.769 0.000 3.063 256 A HA 0.481 4.801 4.320 -0.000 0.000 0.263 256 A C 1.071 178.571 177.584 -0.140 0.000 1.736 256 A CA -0.291 51.547 52.037 -0.332 0.000 1.408 256 A CB -1.277 17.657 19.000 -0.110 0.000 1.108 256 A HN 0.535 nan 8.150 nan 0.000 0.621 257 F N -0.041 119.843 119.950 -0.109 0.000 2.743 257 F HA 0.082 4.609 4.527 -0.000 0.000 0.297 257 F C 1.122 176.900 175.800 -0.036 0.000 1.131 257 F CA 0.054 57.995 58.000 -0.098 0.000 1.426 257 F CB 0.380 39.247 39.000 -0.222 0.000 1.116 257 F HN 0.408 nan 8.300 nan 0.000 0.583 258 E N 0.935 121.221 120.200 0.143 0.000 2.235 258 E HA 0.201 4.551 4.350 -0.000 0.000 0.265 258 E C -0.592 176.073 176.600 0.108 0.000 0.940 258 E CA -1.061 55.412 56.400 0.121 0.000 0.819 258 E CB 1.846 31.594 29.700 0.081 0.000 1.206 258 E HN -0.067 nan 8.360 nan 0.000 0.409 259 K N 0.390 120.859 120.400 0.115 0.000 2.484 259 K HA 0.020 4.340 4.320 -0.000 0.000 0.280 259 K C 0.704 177.345 176.600 0.069 0.000 1.013 259 K CA 1.326 57.673 56.287 0.100 0.000 1.029 259 K CB -0.047 32.509 32.500 0.094 0.000 0.902 259 K HN 0.767 nan 8.250 nan 0.000 0.481 260 G N 3.536 112.375 108.800 0.065 0.000 2.308 260 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.221 260 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.221 260 G C 0.186 175.107 174.900 0.035 0.000 1.032 260 G CA -0.013 45.114 45.100 0.044 0.000 0.623 260 G HN 0.577 nan 8.290 nan 0.000 0.506 261 M N 1.231 120.851 119.600 0.032 0.000 2.252 261 M HA 0.489 4.969 4.480 -0.000 0.000 0.348 261 M C 0.284 176.598 176.300 0.023 0.000 1.334 261 M CA 0.825 56.130 55.300 0.008 0.000 1.071 261 M CB 0.794 33.382 32.600 -0.020 0.000 1.763 261 M HN 0.417 nan 8.290 nan 0.000 0.452 262 I N 3.837 124.414 120.570 0.011 0.000 2.865 262 I HA 0.649 4.819 4.170 -0.000 0.000 0.302 262 I C -1.371 174.756 176.117 0.017 0.000 1.140 262 I CA -0.746 60.569 61.300 0.025 0.000 1.021 262 I CB 2.137 40.151 38.000 0.025 0.000 1.233 262 I HN 0.734 nan 8.210 nan 0.000 0.427 263 K N 3.990 124.407 120.400 0.028 0.000 2.533 263 K HA 0.587 4.907 4.320 -0.000 0.000 0.272 263 K C -1.736 174.876 176.600 0.021 0.000 0.985 263 K CA -0.762 55.543 56.287 0.029 0.000 0.876 263 K CB 1.299 33.817 32.500 0.030 0.000 1.452 263 K HN 0.419 nan 8.250 nan 0.000 0.439 264 N N -0.356 118.353 118.700 0.014 0.000 2.260 264 N HA 0.478 5.218 4.740 -0.000 0.000 0.293 264 N C -1.688 173.772 175.510 -0.082 0.000 1.058 264 N CA -0.397 52.595 53.050 -0.097 0.000 0.824 264 N CB 2.401 40.760 38.487 -0.213 0.000 1.551 264 N HN 0.683 nan 8.380 nan 0.000 0.475 265 T N 3.272 117.755 114.554 -0.118 0.000 2.770 265 T HA 0.348 4.698 4.350 -0.000 0.000 0.283 265 T C -0.888 173.751 174.700 -0.102 0.000 0.988 265 T CA -0.181 61.927 62.100 0.015 0.000 0.957 265 T CB 0.030 68.966 68.868 0.113 0.000 0.930 265 T HN 0.242 nan 8.240 nan 0.000 0.443 266 Y N 2.307 122.644 120.300 0.062 0.000 2.404 266 Y HA 0.603 5.153 4.550 -0.000 0.000 0.344 266 Y C 0.970 176.923 175.900 0.089 0.000 0.970 266 Y CA -0.285 57.843 58.100 0.045 0.000 1.180 266 Y CB 0.955 39.418 38.460 0.005 0.000 1.138 266 Y HN 0.876 nan 8.280 nan 0.000 0.510 267 G N 0.512 109.439 108.800 0.212 0.000 3.187 267 G HA2 0.103 4.063 3.960 -0.000 0.000 0.175 267 G HA3 0.103 4.063 3.960 -0.000 0.000 0.175 267 G C 0.681 175.730 174.900 0.250 0.000 1.112 267 G CA -0.258 44.982 45.100 0.233 0.000 0.821 267 G HN 0.301 nan 8.290 nan 0.000 0.636 268 T N 0.348 115.097 114.554 0.325 0.000 2.720 268 T HA 0.148 4.498 4.350 -0.000 0.000 0.268 268 T C 1.131 176.068 174.700 0.397 0.000 1.037 268 T CA 1.848 64.174 62.100 0.378 0.000 1.144 268 T CB -0.455 68.724 68.868 0.519 0.000 0.864 268 T HN 0.775 nan 8.240 nan 0.000 0.444 269 G N -0.704 108.359 108.800 0.437 0.000 2.816 269 G HA2 0.697 4.657 3.960 -0.000 0.000 0.288 269 G HA3 0.697 4.657 3.960 -0.000 0.000 0.288 269 G C -1.715 173.070 174.900 -0.192 0.000 1.334 269 G CA -0.337 44.862 45.100 0.166 0.000 0.978 269 G HN 0.406 nan 8.290 nan 0.000 0.493 270 A N -0.633 121.741 122.820 -0.744 0.000 2.371 270 A HA 0.835 5.155 4.320 -0.000 0.000 0.311 270 A C -1.726 175.187 177.584 -1.118 0.000 1.068 270 A CA -0.579 51.050 52.037 -0.681 0.000 0.744 270 A CB 0.962 19.641 19.000 -0.535 0.000 1.239 270 A HN 0.582 nan 8.150 nan 0.000 0.435 271 F N 1.982 121.813 119.950 -0.199 0.000 2.612 271 F HA 0.471 4.998 4.527 0.000 0.000 0.332 271 F C -0.500 175.232 175.800 -0.113 0.000 1.167 271 F CA -0.460 57.465 58.000 -0.126 0.000 0.970 271 F CB 1.679 40.640 39.000 -0.064 0.000 1.234 271 F HN 0.295 nan 8.300 nan 0.000 0.453 272 I N 4.327 124.905 120.570 0.013 0.000 2.352 272 I HA 0.405 4.575 4.170 -0.000 0.000 0.290 272 I C -0.355 175.814 176.117 0.086 0.000 1.036 272 I CA -0.421 60.884 61.300 0.008 0.000 1.336 272 I CB 0.953 38.933 38.000 -0.033 0.000 1.407 272 I HN 0.238 nan 8.210 nan 0.000 0.497 273 V N 7.275 127.242 119.914 0.089 0.000 2.588 273 V HA 0.519 4.639 4.120 -0.000 0.000 0.304 273 V C -0.248 175.904 176.094 0.097 0.000 1.042 273 V CA -0.710 61.658 62.300 0.114 0.000 0.877 273 V CB 1.852 33.755 31.823 0.134 0.000 0.996 273 V HN 0.725 nan 8.190 nan 0.000 0.425 274 M N 4.260 123.922 119.600 0.103 0.000 2.321 274 M HA 0.514 4.994 4.480 -0.000 0.000 0.315 274 M C -0.412 175.957 176.300 0.116 0.000 1.052 274 M CA -0.444 54.911 55.300 0.092 0.000 0.936 274 M CB 1.355 34.001 32.600 0.076 0.000 1.639 274 M HN 0.798 nan 8.290 nan 0.000 0.433 275 N N 1.894 120.667 118.700 0.122 0.000 2.475 275 N HA 0.109 4.849 4.740 -0.000 0.000 0.267 275 N C 0.472 176.061 175.510 0.132 0.000 1.169 275 N CA 0.104 53.243 53.050 0.148 0.000 0.947 275 N CB 0.849 39.440 38.487 0.172 0.000 1.061 275 N HN 0.732 nan 8.380 nan 0.000 0.466 276 T N 0.782 115.424 114.554 0.146 0.000 3.129 276 T HA 0.401 4.751 4.350 -0.000 0.000 0.267 276 T C 0.910 175.698 174.700 0.146 0.000 1.018 276 T CA 0.034 62.213 62.100 0.131 0.000 0.903 276 T CB -0.182 68.758 68.868 0.120 0.000 1.067 276 T HN 0.742 nan 8.240 nan 0.000 0.549 277 G N 2.009 110.922 108.800 0.190 0.000 2.681 277 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.220 277 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.220 277 G C 0.175 175.167 174.900 0.153 0.000 1.353 277 G CA -0.111 45.118 45.100 0.214 0.000 0.872 277 G HN 0.339 nan 8.290 nan 0.000 0.557 278 E N 0.837 121.059 120.200 0.037 0.000 2.516 278 E HA 0.043 4.393 4.350 -0.000 0.000 0.199 278 E C 0.199 176.880 176.600 0.134 0.000 1.069 278 E CA 0.622 56.988 56.400 -0.057 0.000 0.876 278 E CB 0.093 29.684 29.700 -0.181 0.000 0.843 278 E HN 0.371 nan 8.360 nan 0.000 0.530 279 E N 0.991 121.259 120.200 0.114 0.000 2.158 279 E HA 0.265 4.615 4.350 -0.000 0.000 0.271 279 E C -2.346 174.208 176.600 -0.078 0.000 0.911 279 E CA -2.571 53.828 56.400 -0.002 0.000 0.767 279 E CB 1.304 30.995 29.700 -0.016 0.000 1.120 279 E HN -0.083 nan 8.360 nan 0.000 0.405 283 S N 1.219 116.936 115.700 0.027 0.000 2.473 283 S HA 0.542 5.012 4.470 -0.000 0.000 0.307 283 S C -0.663 173.971 174.600 0.057 0.000 1.094 283 S CA -0.125 58.097 58.200 0.037 0.000 1.070 283 S CB 1.130 64.345 63.200 0.025 0.000 1.019 283 S HN 0.489 nan 8.310 nan 0.000 0.480 284 D N 2.802 123.249 120.400 0.078 0.000 2.623 284 D HA 0.108 4.748 4.640 -0.000 0.000 0.252 284 D C 0.032 176.383 176.300 0.085 0.000 1.294 284 D CA -0.494 53.569 54.000 0.105 0.000 0.824 284 D CB -0.818 40.080 40.800 0.164 0.000 1.070 284 D HN 0.462 nan 8.370 nan 0.000 0.487 285 N N 1.716 120.443 118.700 0.044 0.000 2.292 285 N HA -0.092 4.648 4.740 -0.000 0.000 0.258 285 N C 0.182 175.737 175.510 0.075 0.000 1.261 285 N CA 1.041 54.107 53.050 0.026 0.000 0.845 285 N CB 0.204 38.701 38.487 0.018 0.000 1.064 285 N HN 0.032 nan 8.380 nan 0.000 0.471 286 D N -0.003 120.454 120.400 0.096 0.000 3.006 286 D HA -0.221 4.419 4.640 -0.000 0.000 0.208 286 D C -0.314 176.221 176.300 0.391 0.000 1.116 286 D CA 1.122 55.258 54.000 0.227 0.000 0.998 286 D CB -1.092 39.801 40.800 0.155 0.000 1.124 286 D HN 0.388 nan 8.370 nan 0.000 0.413 287 L N -0.821 120.567 121.223 0.276 0.000 2.242 287 L HA 0.627 4.967 4.340 -0.000 0.000 0.261 287 L C 0.316 177.354 176.870 0.279 0.000 1.052 287 L CA -1.139 53.911 54.840 0.350 0.000 0.972 287 L CB 0.998 43.192 42.059 0.224 0.000 1.562 287 L HN -0.212 nan 8.230 nan 0.000 0.509 288 L N -0.229 121.174 121.223 0.299 0.000 2.346 288 L HA 0.486 4.826 4.340 -0.000 0.000 0.276 288 L C -0.706 176.267 176.870 0.172 0.000 1.006 288 L CA -0.433 54.544 54.840 0.228 0.000 0.817 288 L CB 2.002 44.257 42.059 0.327 0.000 1.272 288 L HN 0.471 nan 8.230 nan 0.000 0.421 289 T N 1.065 115.682 114.554 0.106 0.000 2.767 289 T HA 0.478 4.828 4.350 -0.000 0.000 0.288 289 T C -0.099 174.630 174.700 0.047 0.000 0.963 289 T CA -0.142 62.001 62.100 0.071 0.000 1.019 289 T CB 1.502 70.374 68.868 0.005 0.000 0.923 289 T HN 0.655 nan 8.240 nan 0.000 0.468 290 T N 2.328 116.943 114.554 0.102 0.000 2.778 290 T HA 0.653 5.003 4.350 -0.000 0.000 0.293 290 T C -1.081 173.690 174.700 0.119 0.000 1.144 290 T CA -0.711 61.440 62.100 0.084 0.000 1.010 290 T CB 0.851 69.772 68.868 0.088 0.000 1.325 290 T HN 0.442 nan 8.240 nan 0.000 0.515 291 I N 2.293 122.885 120.570 0.038 0.000 2.342 291 I HA 0.349 4.519 4.170 -0.000 0.000 0.291 291 I C 1.598 177.702 176.117 -0.022 0.000 1.010 291 I CA -0.372 60.876 61.300 -0.087 0.000 1.308 291 I CB 1.556 39.466 38.000 -0.149 0.000 1.400 291 I HN 0.905 nan 8.210 nan 0.000 0.488 292 G N 6.334 115.098 108.800 -0.060 0.000 2.404 292 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.213 292 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.213 292 G C -0.112 174.929 174.900 0.234 0.000 1.189 292 G CA 0.816 45.968 45.100 0.087 0.000 0.796 292 G HN 0.703 nan 8.290 nan 0.000 0.532 293 Y N -3.787 116.581 120.300 0.112 0.000 2.786 293 Y HA 0.542 5.092 4.550 0.000 0.000 0.365 293 Y C -0.518 175.497 175.900 0.191 0.000 1.171 293 Y CA -1.468 56.712 58.100 0.133 0.000 1.214 293 Y CB 0.443 38.978 38.460 0.125 0.000 1.411 293 Y HN 0.306 nan 8.280 nan 0.000 0.485 294 G N 1.910 110.943 108.800 0.388 0.000 2.544 294 G HA2 0.702 4.662 3.960 -0.000 0.000 0.313 294 G HA3 0.702 4.662 3.960 -0.000 0.000 0.313 294 G C -1.855 173.270 174.900 0.374 0.000 1.316 294 G CA -0.952 44.364 45.100 0.359 0.000 0.944 294 G HN 1.040 nan 8.290 nan 0.000 0.489 295 I N 1.247 122.043 120.570 0.377 0.000 2.908 295 I HA 0.337 4.507 4.170 -0.000 0.000 0.300 295 I C -0.679 175.581 176.117 0.239 0.000 1.385 295 I CA -0.895 60.564 61.300 0.264 0.000 1.004 295 I CB 2.069 40.219 38.000 0.250 0.000 1.309 295 I HN 0.557 nan 8.210 nan 0.000 0.449 296 N N 4.347 123.131 118.700 0.141 0.000 2.721 296 N HA -0.197 4.543 4.740 -0.000 0.000 0.249 296 N C 0.751 176.319 175.510 0.097 0.000 1.072 296 N CA 1.431 54.546 53.050 0.109 0.000 0.710 296 N CB -1.409 37.150 38.487 0.120 0.000 0.993 296 N HN 1.252 nan 8.380 nan 0.000 0.547 297 G N -1.409 107.444 108.800 0.089 0.000 2.168 297 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.263 297 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.263 297 G C 0.058 174.971 174.900 0.022 0.000 0.977 297 G CA 1.197 46.333 45.100 0.059 0.000 0.659 297 G HN 0.585 nan 8.290 nan 0.000 0.533 298 K N -0.871 119.544 120.400 0.025 0.000 2.350 298 K HA 0.748 5.068 4.320 -0.000 0.000 0.241 298 K C -0.706 175.746 176.600 -0.247 0.000 0.994 298 K CA -0.969 55.228 56.287 -0.150 0.000 0.839 298 K CB 2.971 35.334 32.500 -0.228 0.000 1.244 298 K HN 0.040 nan 8.250 nan 0.000 0.443 299 V N 2.461 122.060 119.914 -0.524 0.000 2.444 299 V HA 0.319 4.439 4.120 -0.000 0.000 0.294 299 V C -1.512 174.060 176.094 -0.870 0.000 1.022 299 V CA -0.873 61.061 62.300 -0.610 0.000 0.850 299 V CB 0.799 32.210 31.823 -0.687 0.000 0.992 299 V HN 0.575 nan 8.190 nan 0.000 0.426 300 Y N 4.119 124.063 120.300 -0.593 0.000 2.331 300 Y HA 0.618 5.168 4.550 -0.000 0.000 0.338 300 Y C -0.039 175.520 175.900 -0.570 0.000 0.976 300 Y CA -0.730 57.048 58.100 -0.535 0.000 1.137 300 Y CB 0.912 38.950 38.460 -0.704 0.000 1.172 300 Y HN 0.526 nan 8.280 nan 0.000 0.478 301 Y N 1.420 121.671 120.300 -0.082 0.000 2.340 301 Y HA 0.704 5.254 4.550 0.000 0.000 0.327 301 Y C 0.409 176.314 175.900 0.007 0.000 1.321 301 Y CA -0.585 57.482 58.100 -0.055 0.000 1.433 301 Y CB 1.001 39.425 38.460 -0.059 0.000 1.373 301 Y HN 0.634 nan 8.280 nan 0.000 0.538 302 A N 0.713 123.656 122.820 0.206 0.000 2.609 302 A HA 0.686 5.006 4.320 -0.000 0.000 0.291 302 A C -2.363 175.312 177.584 0.152 0.000 1.096 302 A CA -0.655 51.477 52.037 0.159 0.000 0.684 302 A CB 1.424 20.512 19.000 0.145 0.000 1.282 302 A HN 0.547 nan 8.150 nan 0.000 0.412 303 L N 0.610 121.916 121.223 0.138 0.000 2.341 303 L HA 0.744 5.084 4.340 -0.000 0.000 0.278 303 L C -0.179 176.782 176.870 0.153 0.000 1.005 303 L CA 0.008 54.931 54.840 0.138 0.000 0.818 303 L CB 1.566 43.694 42.059 0.114 0.000 1.259 303 L HN 0.841 nan 8.230 nan 0.000 0.418 304 E N 2.518 122.833 120.200 0.191 0.000 2.293 304 E HA 0.711 5.061 4.350 -0.000 0.000 0.270 304 E C -1.168 175.586 176.600 0.257 0.000 0.879 304 E CA -0.924 55.609 56.400 0.222 0.000 0.756 304 E CB 1.885 31.747 29.700 0.270 0.000 1.208 304 E HN 0.792 nan 8.360 nan 0.000 0.428 305 G N 1.730 110.641 108.800 0.185 0.000 2.502 305 G HA2 0.421 4.381 3.960 -0.000 0.000 0.311 305 G HA3 0.421 4.381 3.960 -0.000 0.000 0.311 305 G C -0.993 173.921 174.900 0.023 0.000 1.270 305 G CA -0.484 44.678 45.100 0.104 0.000 0.948 305 G HN 0.334 nan 8.290 nan 0.000 0.487 306 S N 1.666 117.331 115.700 -0.058 0.000 2.442 306 S HA 0.506 4.976 4.470 -0.000 0.000 0.297 306 S C -0.105 173.988 174.600 -0.845 0.000 1.131 306 S CA -0.429 57.606 58.200 -0.275 0.000 1.092 306 S CB 1.296 64.538 63.200 0.070 0.000 0.998 306 S HN 0.500 nan 8.310 nan 0.000 0.478 307 I N 4.001 124.014 120.570 -0.928 0.000 2.405 307 I HA 0.246 4.416 4.170 -0.000 0.000 0.280 307 I C 0.090 175.813 176.117 -0.656 0.000 1.027 307 I CA -0.506 60.341 61.300 -0.754 0.000 1.161 307 I CB 0.612 38.315 38.000 -0.496 0.000 1.300 307 I HN 0.546 nan 8.210 nan 0.000 0.463 308 F N 4.749 124.561 119.950 -0.229 0.000 2.069 308 F HA -0.108 4.419 4.527 -0.000 0.000 0.298 308 F C 1.278 177.153 175.800 0.125 0.000 1.113 308 F CA 0.880 58.917 58.000 0.061 0.000 1.214 308 F CB -0.502 38.528 39.000 0.050 0.000 0.978 308 F HN 0.096 nan 8.300 nan 0.000 0.474 309 V N -0.015 119.994 119.914 0.159 0.000 2.328 309 V HA 0.680 4.800 4.120 -0.000 0.000 0.278 309 V C 0.297 176.390 176.094 -0.001 0.000 1.021 309 V CA 0.060 62.400 62.300 0.067 0.000 0.838 309 V CB 0.426 32.172 31.823 -0.129 0.000 0.999 309 V HN 0.311 nan 8.190 nan 0.000 0.447 310 A N 4.383 127.242 122.820 0.065 0.000 1.795 310 A HA 0.568 4.888 4.320 -0.000 0.000 0.182 310 A C 1.921 179.574 177.584 0.115 0.000 2.073 310 A CA 0.731 52.801 52.037 0.055 0.000 1.402 310 A CB -0.769 18.250 19.000 0.031 0.000 0.977 310 A HN 0.753 nan 8.150 nan 0.000 0.648 311 G N 0.603 109.496 108.800 0.155 0.000 2.432 311 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.219 311 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.219 311 G C 1.741 176.756 174.900 0.192 0.000 1.135 311 G CA 2.082 47.283 45.100 0.168 0.000 0.767 311 G HN 1.131 nan 8.290 nan 0.000 0.550 312 S N 0.723 116.555 115.700 0.220 0.000 2.500 312 S HA 0.235 4.705 4.470 -0.000 0.000 0.239 312 S C 2.373 177.169 174.600 0.327 0.000 0.989 312 S CA 1.219 59.569 58.200 0.250 0.000 0.951 312 S CB -0.146 63.203 63.200 0.250 0.000 0.759 312 S HN 0.542 nan 8.310 nan 0.000 0.523 313 A N 1.906 124.894 122.820 0.281 0.000 1.968 313 A HA 0.173 4.493 4.320 -0.000 0.000 0.217 313 A C 2.095 179.942 177.584 0.438 0.000 1.169 313 A CA 0.963 53.229 52.037 0.381 0.000 0.638 313 A CB -0.450 18.646 19.000 0.159 0.000 0.812 313 A HN 0.529 nan 8.150 nan 0.000 0.446 314 I N 0.054 120.790 120.570 0.276 0.000 2.353 314 I HA -0.199 3.971 4.170 -0.000 0.000 0.248 314 I C 2.419 178.650 176.117 0.189 0.000 1.119 314 I CA 1.167 62.591 61.300 0.206 0.000 1.417 314 I CB -1.679 36.404 38.000 0.137 0.000 1.078 314 I HN 0.461 nan 8.210 nan 0.000 0.421 315 Q N -0.701 119.225 119.800 0.209 0.000 2.170 315 Q HA -0.255 4.085 4.340 -0.000 0.000 0.203 315 Q C 2.146 178.255 176.000 0.181 0.000 0.976 315 Q CA 1.792 57.693 55.803 0.164 0.000 0.858 315 Q CB -0.332 28.507 28.738 0.168 0.000 0.907 315 Q HN 0.609 nan 8.270 nan 0.000 0.433 316 W N 1.186 122.544 121.300 0.097 0.000 2.388 316 W HA -0.103 4.557 4.660 -0.000 0.000 0.294 316 W C 1.366 177.916 176.519 0.052 0.000 1.212 316 W CA 1.015 58.389 57.345 0.048 0.000 1.271 316 W CB -0.196 29.348 29.460 0.140 0.000 1.126 316 W HN 0.013 nan 8.180 nan 0.000 0.535 317 L N 0.496 121.687 121.223 -0.053 0.000 2.141 317 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 317 L C 2.901 179.636 176.870 -0.225 0.000 1.094 317 L CA 1.536 56.220 54.840 -0.259 0.000 0.763 317 L CB -0.837 41.219 42.059 -0.005 0.000 0.908 317 L HN -0.006 nan 8.230 nan 0.000 0.437 318 R N 0.123 120.561 120.500 -0.102 0.000 2.066 318 R HA -0.107 4.233 4.340 -0.000 0.000 0.224 318 R C 1.457 177.694 176.300 -0.106 0.000 1.122 318 R CA 1.603 57.654 56.100 -0.082 0.000 0.974 318 R CB 0.025 30.313 30.300 -0.020 0.000 0.871 318 R HN 0.310 nan 8.270 nan 0.000 0.435 319 D N -1.103 119.242 120.400 -0.092 0.000 2.277 319 D HA 0.038 4.678 4.640 -0.000 0.000 0.209 319 D C 1.556 177.772 176.300 -0.140 0.000 0.970 319 D CA 1.042 54.991 54.000 -0.085 0.000 0.874 319 D CB 0.003 40.785 40.800 -0.030 0.000 0.982 319 D HN 0.415 nan 8.370 nan 0.000 0.504 320 G N 0.685 109.336 108.800 -0.248 0.000 2.473 320 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.212 320 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.212 320 G C 1.356 176.017 174.900 -0.398 0.000 1.211 320 G CA 0.042 44.956 45.100 -0.310 0.000 0.813 320 G HN 0.091 nan 8.290 nan 0.000 0.541 321 L N 0.212 121.034 121.223 -0.668 0.000 2.418 321 L HA 0.317 4.657 4.340 -0.000 0.000 0.218 321 L C 1.288 177.958 176.870 -0.333 0.000 1.125 321 L CA 0.233 54.761 54.840 -0.519 0.000 0.835 321 L CB -0.441 41.186 42.059 -0.719 0.000 0.953 321 L HN 0.253 nan 8.230 nan 0.000 0.454 322 R N -1.239 119.089 120.500 -0.286 0.000 3.333 322 R HA -0.270 4.070 4.340 -0.000 0.000 0.256 322 R C 1.271 177.465 176.300 -0.176 0.000 1.010 322 R CA 0.921 56.910 56.100 -0.185 0.000 0.680 322 R CB -2.027 28.188 30.300 -0.142 0.000 1.102 322 R HN 0.406 nan 8.270 nan 0.000 0.440 323 M N 0.222 119.699 119.600 -0.205 0.000 2.501 323 M HA 0.089 4.569 4.480 -0.000 0.000 0.261 323 M C 1.637 177.873 176.300 -0.107 0.000 1.129 323 M CA 1.434 56.629 55.300 -0.175 0.000 1.126 323 M CB 0.501 32.966 32.600 -0.226 0.000 1.359 323 M HN 0.465 nan 8.290 nan 0.000 0.471 324 I N -4.097 116.421 120.570 -0.087 0.000 4.327 324 I HA 0.309 4.479 4.170 -0.000 0.000 0.331 324 I C 0.314 176.408 176.117 -0.039 0.000 1.348 324 I CA -0.025 61.246 61.300 -0.049 0.000 1.152 324 I CB 0.205 38.191 38.000 -0.023 0.000 1.151 324 I HN 0.280 nan 8.210 nan 0.000 0.410 325 E N 0.924 121.096 120.200 -0.047 0.000 4.374 325 E HA -0.205 4.145 4.350 -0.000 0.000 0.182 325 E C -0.037 176.550 176.600 -0.022 0.000 1.240 325 E CA 1.983 58.362 56.400 -0.035 0.000 2.386 325 E CB -1.427 28.256 29.700 -0.029 0.000 1.805 325 E HN 0.605 nan 8.360 nan 0.000 0.421 326 T N -0.474 114.072 114.554 -0.013 0.000 2.912 326 T HA 0.383 4.733 4.350 -0.000 0.000 0.299 326 T C 0.561 175.265 174.700 0.007 0.000 1.052 326 T CA -0.048 62.051 62.100 -0.002 0.000 0.996 326 T CB 1.893 70.761 68.868 -0.000 0.000 1.070 326 T HN 0.097 nan 8.240 nan 0.000 0.465 327 S N 2.662 118.373 115.700 0.019 0.000 2.365 327 S HA -0.081 4.389 4.470 -0.000 0.000 0.225 327 S C -0.802 173.815 174.600 0.029 0.000 1.039 327 S CA 1.490 59.710 58.200 0.033 0.000 1.033 327 S CB -0.978 62.251 63.200 0.048 0.000 0.887 327 S HN 0.583 nan 8.310 nan 0.000 0.447 328 P HA -0.108 nan 4.420 nan 0.000 0.219 328 P C 1.337 178.644 177.300 0.011 0.000 1.146 328 P CA 1.037 64.148 63.100 0.018 0.000 0.808 328 P CB -0.071 31.639 31.700 0.016 0.000 0.779 329 Q N -0.415 119.390 119.800 0.008 0.000 2.135 329 Q HA -0.175 4.165 4.340 -0.000 0.000 0.204 329 Q C 2.305 178.307 176.000 0.004 0.000 0.981 329 Q CA 2.014 57.818 55.803 0.003 0.000 0.856 329 Q CB -0.636 28.101 28.738 -0.002 0.000 0.902 329 Q HN 0.376 nan 8.270 nan 0.000 0.425 330 S N 0.869 116.576 115.700 0.011 0.000 2.392 330 S HA -0.317 4.153 4.470 -0.000 0.000 0.232 330 S C 1.824 176.424 174.600 -0.000 0.000 1.041 330 S CA 1.640 59.848 58.200 0.014 0.000 1.026 330 S CB -0.365 62.853 63.200 0.029 0.000 0.845 330 S HN 0.467 nan 8.310 nan 0.000 0.465 331 E N 1.760 121.958 120.200 -0.003 0.000 2.058 331 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 331 E C 1.847 178.438 176.600 -0.014 0.000 0.997 331 E CA 1.819 58.212 56.400 -0.013 0.000 0.801 331 E CB -0.525 29.171 29.700 -0.008 0.000 0.746 331 E HN 0.644 nan 8.360 nan 0.000 0.450 332 E N -0.046 120.150 120.200 -0.007 0.000 2.051 332 E HA -0.133 4.217 4.350 -0.000 0.000 0.192 332 E C 2.001 178.595 176.600 -0.010 0.000 0.991 332 E CA 1.239 57.634 56.400 -0.007 0.000 0.799 332 E CB -0.313 29.384 29.700 -0.005 0.000 0.748 332 E HN 0.214 nan 8.360 nan 0.000 0.449 333 L N 0.624 121.842 121.223 -0.008 0.000 1.994 333 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 333 L C 2.299 179.162 176.870 -0.012 0.000 1.071 333 L CA 2.072 56.909 54.840 -0.006 0.000 0.745 333 L CB -1.235 40.826 42.059 0.003 0.000 0.892 333 L HN 0.136 nan 8.230 nan 0.000 0.431 334 A N -0.549 122.259 122.820 -0.021 0.000 1.948 334 A HA -0.211 4.109 4.320 -0.000 0.000 0.220 334 A C 2.464 180.017 177.584 -0.052 0.000 1.177 334 A CA 1.999 54.009 52.037 -0.045 0.000 0.636 334 A CB -1.023 17.938 19.000 -0.066 0.000 0.815 334 A HN 0.413 nan 8.150 nan 0.000 0.449 335 A N -0.751 122.046 122.820 -0.039 0.000 2.019 335 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 335 A C 2.050 179.619 177.584 -0.024 0.000 1.164 335 A CA 1.806 53.824 52.037 -0.032 0.000 0.644 335 A CB -0.332 18.656 19.000 -0.021 0.000 0.805 335 A HN 0.532 nan 8.150 nan 0.000 0.449 336 K N -0.128 120.260 120.400 -0.020 0.000 2.444 336 K HA 0.318 4.638 4.320 -0.000 0.000 0.193 336 K C 0.575 177.165 176.600 -0.015 0.000 1.024 336 K CA 0.421 56.699 56.287 -0.014 0.000 1.077 336 K CB -0.215 32.279 32.500 -0.010 0.000 0.833 336 K HN 0.385 nan 8.250 nan 0.000 0.517 337 A N 1.730 124.536 122.820 -0.023 0.000 2.548 337 A HA 0.001 4.321 4.320 -0.000 0.000 0.247 337 A C 0.472 178.044 177.584 -0.020 0.000 1.067 337 A CA 0.259 52.282 52.037 -0.024 0.000 0.757 337 A CB 0.295 19.268 19.000 -0.044 0.000 0.996 337 A HN 0.202 nan 8.150 nan 0.000 0.504 338 K N 2.568 122.961 120.400 -0.011 0.000 2.360 338 K HA 0.104 4.424 4.320 -0.000 0.000 0.196 338 K C 1.211 177.808 176.600 -0.004 0.000 1.049 338 K CA 0.732 57.015 56.287 -0.007 0.000 1.049 338 K CB 0.174 32.673 32.500 -0.002 0.000 0.881 338 K HN 0.803 nan 8.250 nan 0.000 0.542 339 G N 1.506 110.302 108.800 -0.007 0.000 2.732 339 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.244 339 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.244 339 G C 0.126 175.022 174.900 -0.006 0.000 1.226 339 G CA -0.272 44.826 45.100 -0.003 0.000 0.860 339 G HN 0.048 nan 8.290 nan 0.000 0.583 340 D N -0.064 120.338 120.400 0.003 0.000 2.332 340 D HA -0.044 4.596 4.640 -0.000 0.000 0.244 340 D C 1.103 177.406 176.300 0.004 0.000 1.136 340 D CA 0.188 54.195 54.000 0.012 0.000 0.884 340 D CB -0.129 40.687 40.800 0.027 0.000 0.906 340 D HN 0.425 nan 8.370 nan 0.000 0.520 341 N N 1.562 120.242 118.700 -0.033 0.000 2.727 341 N HA -0.226 4.514 4.740 -0.000 0.000 0.249 341 N C 0.535 175.975 175.510 -0.117 0.000 1.048 341 N CA 0.869 53.871 53.050 -0.080 0.000 0.714 341 N CB -0.821 37.643 38.487 -0.038 0.000 0.959 341 N HN 0.563 nan 8.380 nan 0.000 0.544 342 E N -2.296 117.842 120.200 -0.102 0.000 2.501 342 E HA 0.146 4.496 4.350 -0.000 0.000 0.201 342 E C -0.124 176.391 176.600 -0.142 0.000 1.016 342 E CA -0.292 56.062 56.400 -0.076 0.000 0.920 342 E CB 0.408 30.139 29.700 0.052 0.000 1.023 342 E HN 0.128 nan 8.360 nan 0.000 0.474 343 V N 1.861 121.643 119.914 -0.220 0.000 2.509 343 V HA 0.231 4.351 4.120 -0.000 0.000 0.284 343 V C -1.001 174.915 176.094 -0.295 0.000 1.047 343 V CA -0.321 61.905 62.300 -0.123 0.000 0.952 343 V CB 0.300 32.083 31.823 -0.066 0.000 0.988 343 V HN 0.157 nan 8.190 nan 0.000 0.469 344 Y N 2.680 123.051 120.300 0.118 0.000 2.361 344 Y HA 0.625 5.175 4.550 0.000 0.000 0.337 344 Y C -0.132 175.849 175.900 0.135 0.000 0.965 344 Y CA -0.779 57.429 58.100 0.180 0.000 1.091 344 Y CB 2.186 40.764 38.460 0.196 0.000 1.182 344 Y HN 0.329 nan 8.280 nan 0.000 0.450 345 V N 4.440 124.509 119.914 0.258 0.000 2.448 345 V HA 0.457 4.577 4.120 -0.000 0.000 0.295 345 V C -0.745 175.498 176.094 0.250 0.000 1.025 345 V CA -0.878 61.483 62.300 0.102 0.000 0.859 345 V CB 1.824 33.594 31.823 -0.089 0.000 0.988 345 V HN 0.519 nan 8.190 nan 0.000 0.431 346 V N 7.440 127.426 119.914 0.120 0.000 2.276 346 V HA 0.290 4.410 4.120 -0.000 0.000 0.268 346 V C -1.786 174.254 176.094 -0.091 0.000 1.032 346 V CA -1.143 61.199 62.300 0.071 0.000 0.810 346 V CB 1.636 33.414 31.823 -0.076 0.000 1.060 346 V HN 0.797 nan 8.190 nan 0.000 0.446 347 P HA 0.099 nan 4.420 nan 0.000 0.261 347 P C 0.554 177.347 177.300 -0.845 0.000 1.650 347 P CA 0.038 62.715 63.100 -0.705 0.000 0.846 347 P CB 0.221 31.513 31.700 -0.680 0.000 1.758 348 A N -0.138 122.458 122.820 -0.373 0.000 3.029 348 A HA 0.159 4.479 4.320 -0.000 0.000 0.251 348 A C 1.172 178.708 177.584 -0.080 0.000 1.749 348 A CA -0.556 51.370 52.037 -0.186 0.000 1.386 348 A CB -1.878 17.080 19.000 -0.070 0.000 1.043 348 A HN 0.202 nan 8.150 nan 0.000 0.638 349 F N 0.231 120.125 119.950 -0.093 0.000 2.192 349 F HA -0.212 4.315 4.527 -0.000 0.000 0.301 349 F C 2.438 178.194 175.800 -0.074 0.000 1.079 349 F CA 1.411 59.327 58.000 -0.140 0.000 1.303 349 F CB -0.049 38.822 39.000 -0.215 0.000 1.024 349 F HN 0.521 nan 8.300 nan 0.000 0.494 350 T N -2.230 112.403 114.554 0.131 0.000 3.228 350 T HA 0.595 4.945 4.350 -0.000 0.000 0.278 350 T C 0.403 175.130 174.700 0.045 0.000 1.014 350 T CA 0.095 62.224 62.100 0.048 0.000 0.904 350 T CB 0.228 69.071 68.868 -0.043 0.000 1.110 350 T HN 0.475 nan 8.240 nan 0.000 0.541 351 G N 1.123 109.979 108.800 0.093 0.000 2.570 351 G HA2 0.178 4.138 3.960 -0.000 0.000 0.686 351 G HA3 0.178 4.138 3.960 -0.000 0.000 0.686 351 G C -1.446 173.559 174.900 0.175 0.000 1.257 351 G CA -1.100 44.075 45.100 0.125 0.000 0.846 351 G HN 0.376 nan 8.290 nan 0.000 0.627 352 L N 1.974 123.273 121.223 0.126 0.000 2.290 352 L HA 0.674 5.014 4.340 -0.000 0.000 0.284 352 L C 1.539 178.393 176.870 -0.027 0.000 1.078 352 L CA 0.914 55.787 54.840 0.055 0.000 0.815 352 L CB 0.727 42.782 42.059 -0.006 0.000 1.162 352 L HN 1.198 nan 8.230 nan 0.000 0.435 353 G N 2.838 111.417 108.800 -0.368 0.000 2.504 353 G HA2 0.495 4.455 3.960 -0.000 0.000 0.257 353 G HA3 0.495 4.455 3.960 -0.000 0.000 0.257 353 G C -0.405 173.804 174.900 -1.151 0.000 1.451 353 G CA -0.103 44.305 45.100 -1.153 0.000 1.059 353 G HN 0.908 nan 8.290 nan 0.000 0.550 354 A N 0.384 122.325 122.820 -1.465 0.000 2.531 354 A HA 0.434 4.754 4.320 -0.000 0.000 0.236 354 A C -1.068 176.201 177.584 -0.525 0.000 1.062 354 A CA -0.415 51.072 52.037 -0.918 0.000 0.760 354 A CB 0.353 19.162 19.000 -0.320 0.000 0.995 354 A HN 0.431 nan 8.150 nan 0.000 0.501 355 P HA 0.065 nan 4.420 nan 0.000 0.262 355 P C 0.053 177.184 177.300 -0.281 0.000 1.304 355 P CA 0.543 63.444 63.100 -0.331 0.000 0.859 355 P CB 0.045 31.583 31.700 -0.269 0.000 1.310 356 Y N -1.523 118.710 120.300 -0.112 0.000 2.206 356 Y HA 0.066 4.616 4.550 -0.000 0.000 0.292 356 Y C 0.860 176.841 175.900 0.135 0.000 1.123 356 Y CA 0.260 58.357 58.100 -0.004 0.000 1.142 356 Y CB -1.299 37.127 38.460 -0.057 0.000 1.006 356 Y HN -0.129 nan 8.280 nan 0.000 0.518 357 W N 1.611 123.046 121.300 0.226 0.000 6.486 357 W HA -0.239 4.421 4.660 -0.000 0.000 0.411 357 W C -0.470 176.167 176.519 0.196 0.000 1.595 357 W CA 0.570 58.042 57.345 0.211 0.000 1.075 357 W CB -1.098 28.473 29.460 0.184 0.000 2.798 357 W HN 0.084 nan 8.180 nan 0.000 1.534 358 D N 0.243 120.825 120.400 0.303 0.000 2.472 358 D HA 0.269 4.909 4.640 -0.000 0.000 0.234 358 D C 1.180 177.590 176.300 0.185 0.000 1.088 358 D CA 0.366 54.493 54.000 0.212 0.000 0.882 358 D CB 0.762 41.639 40.800 0.129 0.000 1.037 358 D HN 0.021 nan 8.370 nan 0.000 0.520 359 S N 2.650 118.469 115.700 0.198 0.000 2.555 359 S HA -0.073 4.397 4.470 -0.000 0.000 0.230 359 S C 1.117 175.778 174.600 0.101 0.000 0.978 359 S CA 0.386 58.680 58.200 0.156 0.000 0.934 359 S CB 0.117 63.408 63.200 0.153 0.000 0.766 359 S HN 0.351 nan 8.310 nan 0.000 0.533 360 E N 1.528 121.781 120.200 0.087 0.000 2.400 360 E HA 0.383 4.733 4.350 -0.000 0.000 0.195 360 E C 0.934 177.571 176.600 0.063 0.000 1.012 360 E CA 0.429 56.864 56.400 0.058 0.000 0.875 360 E CB -0.217 29.505 29.700 0.037 0.000 0.859 360 E HN 0.670 nan 8.360 nan 0.000 0.498 361 A N 2.086 124.946 122.820 0.067 0.000 2.483 361 A HA 0.269 4.589 4.320 -0.000 0.000 0.238 361 A C 0.502 178.135 177.584 0.083 0.000 1.070 361 A CA 0.098 52.174 52.037 0.065 0.000 0.770 361 A CB 0.453 19.460 19.000 0.011 0.000 1.008 361 A HN -0.096 nan 8.150 nan 0.000 0.497 362 R N 0.428 120.995 120.500 0.112 0.000 2.950 362 R HA 0.545 4.885 4.340 -0.000 0.000 0.253 362 R C 0.452 176.795 176.300 0.071 0.000 1.168 362 R CA -0.208 55.960 56.100 0.114 0.000 1.014 362 R CB 0.888 31.284 30.300 0.160 0.000 1.228 362 R HN 0.910 nan 8.270 nan 0.000 0.487 363 G N -0.110 108.745 108.800 0.092 0.000 2.432 363 G HA2 0.431 4.391 3.960 -0.000 0.000 0.239 363 G HA3 0.431 4.391 3.960 -0.000 0.000 0.239 363 G C -0.709 174.165 174.900 -0.043 0.000 1.291 363 G CA 0.262 45.374 45.100 0.020 0.000 0.863 363 G HN 0.577 nan 8.290 nan 0.000 0.560 364 A N 0.923 123.683 122.820 -0.100 0.000 2.594 364 A HA 0.817 5.137 4.320 -0.000 0.000 0.291 364 A C -1.062 176.312 177.584 -0.349 0.000 1.105 364 A CA -0.534 51.347 52.037 -0.261 0.000 0.694 364 A CB 1.898 20.749 19.000 -0.248 0.000 1.291 364 A HN 1.289 nan 8.150 nan 0.000 0.410 365 V N 0.153 119.668 119.914 -0.664 0.000 2.925 365 V HA 0.808 4.928 4.120 -0.000 0.000 0.311 365 V C -1.250 174.299 176.094 -0.908 0.000 1.104 365 V CA -0.428 61.581 62.300 -0.485 0.000 0.954 365 V CB 1.621 33.366 31.823 -0.129 0.000 1.022 365 V HN 0.805 nan 8.190 nan 0.000 0.427 366 F N 0.024 120.002 119.950 0.047 0.000 2.643 366 F HA 0.758 5.285 4.527 -0.000 0.000 0.314 366 F C 1.013 176.877 175.800 0.107 0.000 1.096 366 F CA -0.035 57.998 58.000 0.056 0.000 0.953 366 F CB 1.994 41.008 39.000 0.023 0.000 1.345 366 F HN 0.771 nan 8.300 nan 0.000 0.468 367 G N 0.934 109.907 108.800 0.289 0.000 2.155 367 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.257 367 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.257 367 G C -0.240 174.735 174.900 0.124 0.000 0.983 367 G CA -0.174 45.047 45.100 0.202 0.000 0.676 367 G HN 0.525 nan 8.290 nan 0.000 0.528 368 L N 1.240 122.527 121.223 0.106 0.000 2.426 368 L HA 0.558 4.898 4.340 -0.000 0.000 0.271 368 L C 1.211 178.120 176.870 0.066 0.000 1.169 368 L CA 0.650 55.542 54.840 0.088 0.000 0.836 368 L CB 0.844 42.955 42.059 0.088 0.000 1.112 368 L HN 0.468 nan 8.230 nan 0.000 0.465 369 T N -1.389 113.199 114.554 0.056 0.000 2.838 369 T HA 0.382 4.732 4.350 -0.000 0.000 0.292 369 T C 0.769 175.488 174.700 0.031 0.000 1.113 369 T CA -1.005 61.119 62.100 0.040 0.000 1.008 369 T CB 1.519 70.410 68.868 0.038 0.000 1.259 369 T HN 0.470 nan 8.240 nan 0.000 0.520 370 R N -0.107 120.405 120.500 0.021 0.000 2.193 370 R HA 0.052 4.392 4.340 -0.000 0.000 0.229 370 R C 2.177 178.484 176.300 0.012 0.000 1.110 370 R CA 1.272 57.379 56.100 0.012 0.000 0.988 370 R CB -0.558 29.746 30.300 0.007 0.000 0.871 370 R HN 0.833 nan 8.270 nan 0.000 0.458 371 G N 0.203 109.013 108.800 0.017 0.000 2.985 371 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.209 371 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.209 371 G C 0.213 175.126 174.900 0.021 0.000 1.165 371 G CA -0.174 44.936 45.100 0.016 0.000 0.776 371 G HN 0.099 nan 8.290 nan 0.000 0.541 372 T N 2.032 116.606 114.554 0.033 0.000 2.853 372 T HA 0.372 4.722 4.350 -0.000 0.000 0.298 372 T C 0.822 175.548 174.700 0.044 0.000 0.978 372 T CA 0.351 62.481 62.100 0.050 0.000 1.152 372 T CB 0.913 69.832 68.868 0.085 0.000 0.914 372 T HN 0.336 nan 8.240 nan 0.000 0.539 373 T N 0.484 115.065 114.554 0.044 0.000 2.936 373 T HA 0.413 4.763 4.350 -0.000 0.000 0.282 373 T C 1.381 176.114 174.700 0.056 0.000 1.003 373 T CA -1.123 60.994 62.100 0.029 0.000 1.005 373 T CB 1.502 70.380 68.868 0.016 0.000 1.097 373 T HN 0.490 nan 8.240 nan 0.000 0.532 374 K N 0.260 120.671 120.400 0.019 0.000 2.063 374 K HA -0.203 4.117 4.320 -0.000 0.000 0.208 374 K C 1.816 178.461 176.600 0.076 0.000 1.048 374 K CA 1.835 58.135 56.287 0.023 0.000 0.928 374 K CB -0.222 32.261 32.500 -0.028 0.000 0.713 374 K HN 0.657 nan 8.250 nan 0.000 0.442 375 E N 1.097 121.321 120.200 0.041 0.000 2.077 375 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 375 E C 1.758 178.380 176.600 0.037 0.000 0.989 375 E CA 1.635 58.052 56.400 0.029 0.000 0.800 375 E CB -0.168 29.536 29.700 0.006 0.000 0.746 375 E HN 0.381 nan 8.360 nan 0.000 0.452 376 D N -0.365 120.064 120.400 0.047 0.000 2.117 376 D HA -0.156 4.484 4.640 -0.000 0.000 0.197 376 D C 1.774 178.107 176.300 0.055 0.000 0.987 376 D CA 0.738 54.756 54.000 0.030 0.000 0.829 376 D CB -0.368 40.455 40.800 0.038 0.000 0.961 376 D HN 0.129 nan 8.370 nan 0.000 0.460 377 F N 1.449 121.388 119.950 -0.018 0.000 2.102 377 F HA -0.223 4.303 4.527 -0.000 0.000 0.298 377 F C 2.344 178.151 175.800 0.013 0.000 1.105 377 F CA 1.045 59.048 58.000 0.005 0.000 1.239 377 F CB -0.189 38.812 39.000 0.003 0.000 0.991 377 F HN -0.226 nan 8.300 nan 0.000 0.474 378 V N 0.734 120.773 119.914 0.208 0.000 2.343 378 V HA -0.319 3.801 4.120 -0.000 0.000 0.247 378 V C 2.513 178.605 176.094 -0.003 0.000 1.051 378 V CA 2.273 64.640 62.300 0.111 0.000 1.036 378 V CB -0.814 31.058 31.823 0.082 0.000 0.654 378 V HN 0.315 nan 8.190 nan 0.000 0.451 379 R N 0.363 120.837 120.500 -0.043 0.000 2.073 379 R HA -0.178 4.162 4.340 -0.000 0.000 0.234 379 R C 2.299 178.499 176.300 -0.168 0.000 1.134 379 R CA 1.782 57.808 56.100 -0.122 0.000 0.952 379 R CB -0.486 29.728 30.300 -0.143 0.000 0.850 379 R HN 0.470 nan 8.270 nan 0.000 0.433 380 A N 0.059 122.783 122.820 -0.160 0.000 1.902 380 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 380 A C 2.187 179.716 177.584 -0.091 0.000 1.181 380 A CA 2.055 54.000 52.037 -0.153 0.000 0.623 380 A CB -0.951 17.929 19.000 -0.200 0.000 0.818 380 A HN 0.497 nan 8.150 nan 0.000 0.443 381 T N 0.489 114.971 114.554 -0.119 0.000 2.720 381 T HA -0.109 4.241 4.350 -0.000 0.000 0.268 381 T C 1.802 176.507 174.700 0.008 0.000 1.037 381 T CA 1.510 63.594 62.100 -0.026 0.000 1.144 381 T CB -0.379 68.519 68.868 0.051 0.000 0.864 381 T HN 0.361 nan 8.240 nan 0.000 0.444 382 L N 0.648 121.854 121.223 -0.028 0.000 2.093 382 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 382 L C 2.799 179.622 176.870 -0.079 0.000 1.085 382 L CA 1.293 56.108 54.840 -0.042 0.000 0.755 382 L CB -0.506 41.508 42.059 -0.075 0.000 0.904 382 L HN 0.327 nan 8.230 nan 0.000 0.435 383 Q N -0.523 119.191 119.800 -0.145 0.000 2.369 383 Q HA -0.092 4.248 4.340 -0.000 0.000 0.206 383 Q C 2.371 178.332 176.000 -0.065 0.000 0.963 383 Q CA 0.890 56.573 55.803 -0.201 0.000 0.894 383 Q CB -0.133 28.325 28.738 -0.466 0.000 0.965 383 Q HN 0.528 nan 8.270 nan 0.000 0.475 384 A N 0.707 123.552 122.820 0.041 0.000 1.917 384 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 384 A C 2.267 179.780 177.584 -0.119 0.000 1.182 384 A CA 1.641 53.703 52.037 0.041 0.000 0.633 384 A CB -0.979 18.140 19.000 0.198 0.000 0.819 384 A HN 0.303 nan 8.150 nan 0.000 0.448 385 V N -0.329 119.564 119.914 -0.036 0.000 2.407 385 V HA -0.177 3.943 4.120 -0.000 0.000 0.248 385 V C 2.789 178.859 176.094 -0.040 0.000 1.055 385 V CA 2.310 64.597 62.300 -0.022 0.000 1.049 385 V CB -0.767 31.104 31.823 0.080 0.000 0.662 385 V HN 0.630 nan 8.190 nan 0.000 0.455 386 A N -1.322 121.463 122.820 -0.059 0.000 1.902 386 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 386 A C 2.016 179.445 177.584 -0.258 0.000 1.181 386 A CA 2.049 54.020 52.037 -0.111 0.000 0.623 386 A CB -0.798 18.159 19.000 -0.072 0.000 0.818 386 A HN 0.639 nan 8.150 nan 0.000 0.443 387 Y N -0.471 119.599 120.300 -0.383 0.000 2.133 387 Y HA -0.186 4.364 4.550 0.000 0.000 0.287 387 Y C 2.687 178.246 175.900 -0.569 0.000 1.134 387 Y CA 1.685 59.347 58.100 -0.730 0.000 1.133 387 Y CB -0.733 36.620 38.460 -1.845 0.000 0.987 387 Y HN 0.418 nan 8.280 nan 0.000 0.502 388 Q N -0.472 119.134 119.800 -0.323 0.000 2.226 388 Q HA -0.157 4.183 4.340 -0.000 0.000 0.204 388 Q C 2.222 178.219 176.000 -0.005 0.000 0.975 388 Q CA 1.452 57.301 55.803 0.077 0.000 0.866 388 Q CB -0.070 28.775 28.738 0.178 0.000 0.915 388 Q HN 0.383 nan 8.270 nan 0.000 0.440 389 S N 0.432 116.083 115.700 -0.082 0.000 2.399 389 S HA -0.150 4.320 4.470 -0.000 0.000 0.231 389 S C 1.658 176.217 174.600 -0.069 0.000 1.022 389 S CA 1.190 59.334 58.200 -0.093 0.000 0.983 389 S CB -0.104 63.047 63.200 -0.081 0.000 0.803 389 S HN 0.330 nan 8.310 nan 0.000 0.480 390 K N 1.047 121.406 120.400 -0.069 0.000 2.057 390 K HA -0.136 4.184 4.320 -0.000 0.000 0.206 390 K C 1.290 177.878 176.600 -0.019 0.000 1.050 390 K CA 1.502 57.728 56.287 -0.102 0.000 0.935 390 K CB -0.131 32.237 32.500 -0.219 0.000 0.715 390 K HN 0.157 nan 8.250 nan 0.000 0.439 391 D N 0.554 121.031 120.400 0.128 0.000 2.116 391 D HA -0.174 4.466 4.640 -0.000 0.000 0.193 391 D C 1.988 178.292 176.300 0.006 0.000 0.998 391 D CA 1.287 55.385 54.000 0.164 0.000 0.836 391 D CB -0.374 40.552 40.800 0.210 0.000 0.951 391 D HN 0.050 nan 8.370 nan 0.000 0.449 392 V N 1.228 121.122 119.914 -0.032 0.000 2.295 392 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 392 V C 2.563 178.641 176.094 -0.027 0.000 1.049 392 V CA 1.190 63.459 62.300 -0.052 0.000 1.024 392 V CB -0.379 31.400 31.823 -0.074 0.000 0.648 392 V HN 0.185 nan 8.190 nan 0.000 0.447 393 I N 0.046 120.595 120.570 -0.035 0.000 2.315 393 I HA -0.205 3.965 4.170 -0.000 0.000 0.248 393 I C 2.226 178.327 176.117 -0.026 0.000 1.117 393 I CA 1.411 62.693 61.300 -0.030 0.000 1.404 393 I CB -0.492 37.481 38.000 -0.046 0.000 1.071 393 I HN 0.316 nan 8.210 nan 0.000 0.419 394 D N 0.473 120.852 120.400 -0.034 0.000 2.144 394 D HA -0.134 4.506 4.640 -0.000 0.000 0.200 394 D C 2.219 178.518 176.300 -0.002 0.000 0.978 394 D CA 1.439 55.424 54.000 -0.025 0.000 0.833 394 D CB -0.324 40.462 40.800 -0.022 0.000 0.961 394 D HN 0.240 nan 8.370 nan 0.000 0.470 395 T N 0.761 115.316 114.554 0.001 0.000 2.788 395 T HA -0.095 4.255 4.350 -0.000 0.000 0.268 395 T C 2.100 176.813 174.700 0.022 0.000 1.044 395 T CA 0.851 62.957 62.100 0.010 0.000 1.139 395 T CB -0.080 68.788 68.868 0.001 0.000 0.867 395 T HN 0.166 nan 8.240 nan 0.000 0.454 396 M N 0.568 120.180 119.600 0.021 0.000 2.132 396 M HA -0.063 4.417 4.480 -0.000 0.000 0.263 396 M C 2.360 178.674 176.300 0.024 0.000 1.065 396 M CA 1.555 56.874 55.300 0.031 0.000 1.122 396 M CB -0.384 32.235 32.600 0.031 0.000 1.365 396 M HN 0.146 nan 8.290 nan 0.000 0.411 397 K N 0.458 120.865 120.400 0.012 0.000 2.032 397 K HA -0.208 4.112 4.320 -0.000 0.000 0.209 397 K C 2.079 178.687 176.600 0.012 0.000 1.048 397 K CA 1.462 57.754 56.287 0.008 0.000 0.927 397 K CB -0.252 32.246 32.500 -0.003 0.000 0.712 397 K HN 0.240 nan 8.250 nan 0.000 0.441 398 K N 0.939 121.347 120.400 0.014 0.000 2.057 398 K HA -0.178 4.142 4.320 -0.000 0.000 0.207 398 K C 1.480 178.092 176.600 0.020 0.000 1.049 398 K CA 1.895 58.192 56.287 0.016 0.000 0.931 398 K CB 0.076 32.586 32.500 0.018 0.000 0.714 398 K HN 0.032 nan 8.250 nan 0.000 0.440 399 D N -0.056 120.359 120.400 0.026 0.000 2.097 399 D HA -0.121 4.519 4.640 -0.000 0.000 0.197 399 D C 2.008 178.326 176.300 0.030 0.000 0.984 399 D CA 1.793 55.812 54.000 0.032 0.000 0.826 399 D CB -0.159 40.668 40.800 0.045 0.000 0.973 399 D HN 0.344 nan 8.370 nan 0.000 0.460 400 S N -1.290 114.428 115.700 0.031 0.000 2.478 400 S HA 0.225 4.695 4.470 -0.000 0.000 0.222 400 S C 1.923 176.536 174.600 0.022 0.000 1.008 400 S CA 0.944 59.162 58.200 0.029 0.000 0.928 400 S CB 0.472 63.693 63.200 0.035 0.000 0.781 400 S HN 0.326 nan 8.310 nan 0.000 0.518 401 G N 2.086 110.896 108.800 0.018 0.000 2.284 401 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.261 401 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.261 401 G C 0.217 175.124 174.900 0.012 0.000 0.997 401 G CA 0.455 45.563 45.100 0.013 0.000 0.621 401 G HN 1.136 nan 8.290 nan 0.000 0.534 402 I N -0.694 119.885 120.570 0.015 0.000 2.474 402 I HA 0.504 4.674 4.170 -0.000 0.000 0.287 402 I C -0.285 175.838 176.117 0.009 0.000 1.048 402 I CA -0.954 60.355 61.300 0.014 0.000 1.383 402 I CB 0.709 38.721 38.000 0.020 0.000 1.412 402 I HN -0.090 nan 8.210 nan 0.000 0.531 403 D N 6.900 127.303 120.400 0.005 0.000 2.399 403 D HA 0.279 4.919 4.640 -0.000 0.000 0.241 403 D C -0.046 176.254 176.300 -0.001 0.000 1.133 403 D CA 0.517 54.517 54.000 -0.000 0.000 0.890 403 D CB 1.928 42.727 40.800 -0.002 0.000 1.201 403 D HN 0.518 nan 8.370 nan 0.000 0.432 404 I N 3.126 123.692 120.570 -0.007 0.000 2.621 404 I HA 0.111 4.281 4.170 -0.000 0.000 0.276 404 I C -1.747 174.362 176.117 -0.014 0.000 1.118 404 I CA -1.589 59.707 61.300 -0.008 0.000 1.159 404 I CB 1.458 39.452 38.000 -0.009 0.000 1.357 404 I HN 0.079 nan 8.210 nan 0.000 0.513 405 P HA 0.013 nan 4.420 nan 0.000 0.224 405 P C -0.091 177.203 177.300 -0.011 0.000 1.157 405 P CA 0.608 63.700 63.100 -0.013 0.000 0.799 405 P CB 0.452 32.146 31.700 -0.010 0.000 0.809 406 L N -0.618 120.601 121.223 -0.008 0.000 2.410 406 L HA 0.470 4.810 4.340 -0.000 0.000 0.270 406 L C -1.486 175.385 176.870 0.001 0.000 0.983 406 L CA -0.827 54.011 54.840 -0.003 0.000 0.822 406 L CB 1.823 43.879 42.059 -0.006 0.000 1.285 406 L HN -0.242 nan 8.230 nan 0.000 0.409 407 L N 5.266 126.495 121.223 0.010 0.000 2.316 407 L HA 0.501 4.841 4.340 -0.000 0.000 0.280 407 L C -0.684 176.208 176.870 0.036 0.000 1.006 407 L CA -0.619 54.233 54.840 0.019 0.000 0.836 407 L CB 1.248 43.319 42.059 0.021 0.000 1.221 407 L HN 0.738 nan 8.230 nan 0.000 0.418 408 K N 4.095 124.512 120.400 0.029 0.000 2.205 408 K HA 0.481 4.801 4.320 -0.000 0.000 0.279 408 K C -0.587 176.055 176.600 0.071 0.000 1.027 408 K CA -0.380 55.928 56.287 0.036 0.000 0.932 408 K CB 1.921 34.421 32.500 0.000 0.000 1.032 408 K HN 0.480 nan 8.250 nan 0.000 0.466 409 V N -0.661 119.313 119.914 0.100 0.000 2.962 409 V HA 0.670 4.790 4.120 -0.000 0.000 0.313 409 V C -1.075 175.107 176.094 0.146 0.000 1.099 409 V CA -0.831 61.569 62.300 0.168 0.000 0.971 409 V CB 1.917 33.886 31.823 0.243 0.000 1.028 409 V HN 0.985 nan 8.190 nan 0.000 0.430 410 D N 0.236 120.751 120.400 0.191 0.000 2.759 410 D HA 0.824 5.464 4.640 -0.000 0.000 0.321 410 D C -0.053 176.369 176.300 0.203 0.000 1.267 410 D CA -0.107 53.984 54.000 0.153 0.000 0.933 410 D CB 1.241 42.104 40.800 0.104 0.000 1.431 410 D HN 2.032 nan 8.370 nan 0.000 0.504 411 G N -2.219 106.675 108.800 0.157 0.000 2.650 411 G HA2 0.381 4.341 3.960 -0.000 0.000 0.686 411 G HA3 0.381 4.341 3.960 -0.000 0.000 0.686 411 G C 0.741 175.729 174.900 0.146 0.000 1.205 411 G CA 0.051 45.253 45.100 0.171 0.000 0.781 411 G HN 1.205 nan 8.290 nan 0.000 0.648 412 G N 0.437 109.316 108.800 0.133 0.000 2.505 412 G HA2 0.151 4.111 3.960 -0.000 0.000 0.220 412 G HA3 0.151 4.111 3.960 -0.000 0.000 0.220 412 G C 2.107 177.056 174.900 0.083 0.000 1.145 412 G CA 2.754 47.916 45.100 0.103 0.000 0.761 412 G HN 2.129 nan 8.290 nan 0.000 0.571 413 A N 0.697 123.581 122.820 0.108 0.000 2.121 413 A HA 0.435 4.755 4.320 -0.000 0.000 0.218 413 A C 2.580 180.130 177.584 -0.056 0.000 1.154 413 A CA 1.678 53.749 52.037 0.057 0.000 0.679 413 A CB -0.395 18.677 19.000 0.119 0.000 0.795 413 A HN 0.806 nan 8.150 nan 0.000 0.458 414 A N -0.096 122.700 122.820 -0.041 0.000 2.209 414 A HA -0.038 4.282 4.320 -0.000 0.000 0.212 414 A C 1.934 179.452 177.584 -0.110 0.000 1.158 414 A CA 1.399 53.332 52.037 -0.174 0.000 0.742 414 A CB -0.413 18.566 19.000 -0.036 0.000 0.790 414 A HN 0.559 nan 8.150 nan 0.000 0.472 415 K N 0.582 120.958 120.400 -0.039 0.000 2.283 415 K HA -0.111 4.209 4.320 -0.000 0.000 0.202 415 K C 0.523 177.110 176.600 -0.023 0.000 1.048 415 K CA 0.661 56.947 56.287 -0.002 0.000 0.948 415 K CB -0.271 32.240 32.500 0.019 0.000 0.742 415 K HN 0.583 nan 8.250 nan 0.000 0.458 416 N N 1.730 120.383 118.700 -0.080 0.000 2.400 416 N HA -0.051 4.689 4.740 -0.000 0.000 0.267 416 N C 0.016 175.444 175.510 -0.137 0.000 1.208 416 N CA -0.405 52.590 53.050 -0.092 0.000 0.951 416 N CB 0.680 39.098 38.487 -0.115 0.000 1.227 416 N HN 0.120 nan 8.380 nan 0.000 0.488 417 D N 2.902 123.286 120.400 -0.027 0.000 2.144 417 D HA -0.181 4.459 4.640 -0.000 0.000 0.199 417 D C 1.816 178.090 176.300 -0.044 0.000 0.984 417 D CA 0.805 54.839 54.000 0.057 0.000 0.834 417 D CB 0.076 41.013 40.800 0.227 0.000 0.955 417 D HN 0.495 nan 8.370 nan 0.000 0.465 418 L N 0.909 122.108 121.223 -0.040 0.000 2.046 418 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 418 L C 2.158 178.966 176.870 -0.103 0.000 1.077 418 L CA 1.306 56.118 54.840 -0.047 0.000 0.747 418 L CB -0.540 41.486 42.059 -0.055 0.000 0.896 418 L HN 0.023 nan 8.230 nan 0.000 0.432 419 L N -1.479 119.641 121.223 -0.171 0.000 2.056 419 L HA -0.192 4.148 4.340 -0.000 0.000 0.207 419 L C 2.403 179.100 176.870 -0.288 0.000 1.078 419 L CA 1.214 55.933 54.840 -0.200 0.000 0.749 419 L CB -0.153 41.763 42.059 -0.238 0.000 0.901 419 L HN 0.341 nan 8.230 nan 0.000 0.433 420 M N -0.972 118.315 119.600 -0.521 0.000 2.175 420 M HA -0.212 4.268 4.480 -0.000 0.000 0.264 420 M C 2.124 178.017 176.300 -0.678 0.000 1.063 420 M CA 1.452 56.266 55.300 -0.811 0.000 1.119 420 M CB -1.153 30.569 32.600 -1.464 0.000 1.377 420 M HN 0.260 nan 8.290 nan 0.000 0.415 421 Q N 0.241 119.761 119.800 -0.466 0.000 2.084 421 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 421 Q C 1.886 177.862 176.000 -0.040 0.000 0.978 421 Q CA 1.658 57.428 55.803 -0.056 0.000 0.844 421 Q CB -0.620 28.195 28.738 0.129 0.000 0.898 421 Q HN 0.405 nan 8.270 nan 0.000 0.426 422 F N 0.644 120.477 119.950 -0.195 0.000 2.171 422 F HA -0.172 4.355 4.527 -0.000 0.000 0.300 422 F C 2.216 177.881 175.800 -0.225 0.000 1.090 422 F CA 1.899 59.782 58.000 -0.194 0.000 1.293 422 F CB -0.396 38.467 39.000 -0.229 0.000 1.013 422 F HN 0.222 nan 8.300 nan 0.000 0.486 423 Q N 0.745 120.410 119.800 -0.225 0.000 2.050 423 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 423 Q C 2.209 178.053 176.000 -0.261 0.000 0.980 423 Q CA 2.223 57.859 55.803 -0.278 0.000 0.840 423 Q CB -0.728 27.882 28.738 -0.214 0.000 0.898 423 Q HN 0.415 nan 8.270 nan 0.000 0.424 424 A N 0.294 123.000 122.820 -0.191 0.000 1.930 424 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 424 A C 1.803 179.301 177.584 -0.144 0.000 1.175 424 A CA 1.694 53.663 52.037 -0.112 0.000 0.627 424 A CB -0.697 18.300 19.000 -0.004 0.000 0.815 424 A HN 0.471 nan 8.150 nan 0.000 0.443 425 D N 0.357 120.644 120.400 -0.190 0.000 2.084 425 D HA -0.160 4.480 4.640 -0.000 0.000 0.194 425 D C 2.000 178.141 176.300 -0.266 0.000 0.990 425 D CA 1.834 55.717 54.000 -0.196 0.000 0.826 425 D CB -0.476 40.212 40.800 -0.186 0.000 0.971 425 D HN 0.707 nan 8.370 nan 0.000 0.453 426 I N -1.737 118.561 120.570 -0.455 0.000 2.439 426 I HA -0.113 4.057 4.170 -0.000 0.000 0.251 426 I C 2.143 178.082 176.117 -0.295 0.000 1.139 426 I CA 0.961 62.017 61.300 -0.407 0.000 1.438 426 I CB -0.366 37.265 38.000 -0.616 0.000 1.085 426 I HN -0.099 nan 8.210 nan 0.000 0.427 427 L N 0.947 122.009 121.223 -0.269 0.000 2.179 427 L HA -0.041 4.299 4.340 -0.000 0.000 0.208 427 L C 0.690 177.470 176.870 -0.150 0.000 1.096 427 L CA 1.059 55.776 54.840 -0.206 0.000 0.779 427 L CB -0.539 41.423 42.059 -0.161 0.000 0.922 427 L HN 0.382 nan 8.230 nan 0.000 0.443 428 D N 0.396 120.717 120.400 -0.131 0.000 2.716 428 D HA -0.196 4.444 4.640 -0.000 0.000 0.239 428 D C -0.408 175.854 176.300 -0.064 0.000 1.125 428 D CA 0.755 54.703 54.000 -0.086 0.000 0.681 428 D CB -0.907 39.847 40.800 -0.077 0.000 1.070 428 D HN 0.468 nan 8.370 nan 0.000 0.432 429 I N -3.994 116.541 120.570 -0.059 0.000 3.102 429 I HA 0.569 4.739 4.170 -0.000 0.000 0.310 429 I C -0.631 175.474 176.117 -0.020 0.000 1.246 429 I CA -1.167 60.110 61.300 -0.038 0.000 0.979 429 I CB 1.887 39.863 38.000 -0.040 0.000 1.267 429 I HN -0.316 nan 8.210 nan 0.000 0.451 430 D N 2.909 123.307 120.400 -0.004 0.000 2.382 430 D HA 0.369 5.009 4.640 -0.000 0.000 0.245 430 D C -0.530 175.790 176.300 0.033 0.000 1.120 430 D CA 0.089 54.100 54.000 0.019 0.000 0.890 430 D CB 2.253 43.061 40.800 0.014 0.000 1.201 430 D HN 0.310 nan 8.370 nan 0.000 0.433 431 V N 2.835 122.796 119.914 0.079 0.000 2.349 431 V HA 0.109 4.229 4.120 -0.000 0.000 0.284 431 V C -0.083 176.113 176.094 0.169 0.000 1.014 431 V CA -0.731 61.624 62.300 0.092 0.000 0.826 431 V CB 1.393 33.240 31.823 0.041 0.000 1.009 431 V HN 0.346 nan 8.190 nan 0.000 0.431 432 Q N 4.729 124.594 119.800 0.110 0.000 2.360 432 Q HA 0.395 4.735 4.340 -0.000 0.000 0.254 432 Q C -0.195 175.874 176.000 0.115 0.000 0.975 432 Q CA -0.071 55.794 55.803 0.103 0.000 0.912 432 Q CB 0.806 29.569 28.738 0.042 0.000 1.212 432 Q HN 0.703 nan 8.270 nan 0.000 0.452 433 R N 2.643 123.242 120.500 0.165 0.000 2.357 433 R HA 0.681 5.021 4.340 -0.000 0.000 0.296 433 R C -0.701 175.652 176.300 0.088 0.000 1.052 433 R CA -0.159 56.027 56.100 0.143 0.000 0.988 433 R CB 0.782 31.220 30.300 0.229 0.000 1.025 433 R HN 0.784 nan 8.270 nan 0.000 0.469 434 A N 2.999 125.861 122.820 0.070 0.000 2.386 434 A HA 0.367 4.687 4.320 -0.000 0.000 0.248 434 A C 1.047 178.663 177.584 0.053 0.000 1.082 434 A CA 0.320 52.385 52.037 0.047 0.000 0.789 434 A CB 0.628 19.652 19.000 0.040 0.000 1.025 434 A HN 1.008 nan 8.150 nan 0.000 0.490 435 A N 1.296 124.141 122.820 0.041 0.000 1.969 435 A HA -0.043 4.277 4.320 -0.000 0.000 0.218 435 A C 1.148 178.767 177.584 0.059 0.000 1.169 435 A CA 1.524 53.589 52.037 0.046 0.000 0.635 435 A CB -0.316 18.708 19.000 0.040 0.000 0.810 435 A HN 0.772 nan 8.150 nan 0.000 0.445 436 N N 0.313 119.051 118.700 0.064 0.000 2.476 436 N HA 0.362 5.102 4.740 -0.000 0.000 0.257 436 N C 0.440 175.996 175.510 0.077 0.000 0.970 436 N CA -0.307 52.792 53.050 0.082 0.000 0.938 436 N CB 1.078 39.630 38.487 0.108 0.000 1.144 436 N HN 0.216 nan 8.380 nan 0.000 0.500 437 L N 1.278 122.549 121.223 0.080 0.000 2.201 437 L HA -0.040 4.300 4.340 -0.000 0.000 0.212 437 L C 0.917 177.842 176.870 0.092 0.000 1.105 437 L CA 0.884 55.774 54.840 0.084 0.000 0.775 437 L CB -0.091 42.017 42.059 0.082 0.000 0.913 437 L HN 0.497 nan 8.230 nan 0.000 0.440 438 E N 0.186 120.446 120.200 0.099 0.000 2.346 438 E HA -0.011 4.339 4.350 -0.000 0.000 0.317 438 E C 0.980 177.638 176.600 0.098 0.000 1.404 438 E CA 0.094 56.560 56.400 0.110 0.000 1.534 438 E CB -0.251 29.523 29.700 0.125 0.000 1.309 438 E HN 0.087 nan 8.360 nan 0.000 0.499 439 T N -0.199 114.393 114.554 0.063 0.000 2.995 439 T HA -0.084 4.266 4.350 -0.000 0.000 0.269 439 T C 1.405 176.107 174.700 0.002 0.000 1.091 439 T CA 1.417 63.523 62.100 0.010 0.000 1.128 439 T CB 0.044 68.922 68.868 0.016 0.000 0.891 439 T HN 0.340 nan 8.240 nan 0.000 0.492 440 T N 2.045 116.628 114.554 0.049 0.000 2.708 440 T HA -0.047 4.303 4.350 -0.000 0.000 0.266 440 T C 2.435 177.161 174.700 0.043 0.000 1.037 440 T CA 1.228 63.360 62.100 0.054 0.000 1.146 440 T CB -0.496 68.417 68.868 0.075 0.000 0.865 440 T HN 0.437 nan 8.240 nan 0.000 0.435 441 A N 1.123 123.991 122.820 0.081 0.000 1.902 441 A HA -0.013 4.307 4.320 -0.000 0.000 0.217 441 A C 2.248 179.850 177.584 0.029 0.000 1.181 441 A CA 1.271 53.387 52.037 0.131 0.000 0.623 441 A CB -0.851 18.291 19.000 0.238 0.000 0.818 441 A HN 0.399 nan 8.150 nan 0.000 0.443 442 L N 0.145 121.280 121.223 -0.147 0.000 2.042 442 L HA -0.075 4.265 4.340 -0.000 0.000 0.210 442 L C 2.440 178.872 176.870 -0.731 0.000 1.076 442 L CA 2.328 56.739 54.840 -0.716 0.000 0.749 442 L CB -0.990 40.659 42.059 -0.684 0.000 0.893 442 L HN 0.320 nan 8.230 nan 0.000 0.432 443 G N -1.290 107.332 108.800 -0.297 0.000 2.418 443 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.217 443 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.217 443 G C 1.598 176.511 174.900 0.020 0.000 1.158 443 G CA 0.808 45.912 45.100 0.007 0.000 0.771 443 G HN 0.632 nan 8.290 nan 0.000 0.545 444 A N 1.089 123.896 122.820 -0.022 0.000 1.933 444 A HA 0.302 4.622 4.320 -0.000 0.000 0.218 444 A C 2.805 180.414 177.584 0.041 0.000 1.175 444 A CA 2.158 54.197 52.037 0.004 0.000 0.628 444 A CB -0.715 18.305 19.000 0.033 0.000 0.814 444 A HN 0.758 nan 8.150 nan 0.000 0.444 445 A N -1.147 121.681 122.820 0.014 0.000 1.902 445 A HA -0.062 4.258 4.320 -0.000 0.000 0.217 445 A C 2.088 179.901 177.584 0.380 0.000 1.181 445 A CA 1.568 53.681 52.037 0.127 0.000 0.623 445 A CB -0.783 18.188 19.000 -0.049 0.000 0.818 445 A HN 0.526 nan 8.150 nan 0.000 0.443 446 Y N -0.635 119.765 120.300 0.166 0.000 2.145 446 Y HA -0.149 4.401 4.550 -0.000 0.000 0.286 446 Y C 2.275 178.326 175.900 0.252 0.000 1.145 446 Y CA 0.676 58.909 58.100 0.221 0.000 1.148 446 Y CB -1.070 37.490 38.460 0.167 0.000 0.981 446 Y HN 0.177 nan 8.280 nan 0.000 0.507 447 L N -0.242 121.090 121.223 0.183 0.000 1.989 447 L HA -0.224 4.116 4.340 -0.000 0.000 0.211 447 L C 2.565 179.463 176.870 0.045 0.000 1.071 447 L CA 2.090 56.878 54.840 -0.086 0.000 0.749 447 L CB -1.601 40.310 42.059 -0.246 0.000 0.890 447 L HN 0.188 nan 8.230 nan 0.000 0.431 448 A N -0.909 121.966 122.820 0.091 0.000 1.877 448 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 448 A C 2.408 180.041 177.584 0.083 0.000 1.186 448 A CA 1.652 53.719 52.037 0.050 0.000 0.620 448 A CB -1.381 17.635 19.000 0.026 0.000 0.822 448 A HN 0.458 nan 8.150 nan 0.000 0.443 449 G N -0.316 108.628 108.800 0.240 0.000 2.440 449 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.218 449 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.218 449 G C 1.395 176.473 174.900 0.296 0.000 1.154 449 G CA 1.246 46.499 45.100 0.255 0.000 0.767 449 G HN 0.340 nan 8.290 nan 0.000 0.552 450 L N 1.313 122.745 121.223 0.348 0.000 2.046 450 L HA 0.058 4.398 4.340 -0.000 0.000 0.208 450 L C 3.248 180.174 176.870 0.094 0.000 1.077 450 L CA 1.715 56.688 54.840 0.221 0.000 0.747 450 L CB -0.986 41.178 42.059 0.175 0.000 0.896 450 L HN 0.297 nan 8.230 nan 0.000 0.432 451 A N -0.925 121.917 122.820 0.036 0.000 1.969 451 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 451 A C 1.932 179.493 177.584 -0.039 0.000 1.169 451 A CA 1.727 53.741 52.037 -0.039 0.000 0.635 451 A CB -0.736 18.192 19.000 -0.121 0.000 0.810 451 A HN 0.353 nan 8.150 nan 0.000 0.445 452 V N -4.075 115.828 119.914 -0.018 0.000 3.596 452 V HA 0.549 4.669 4.120 -0.000 0.000 0.289 452 V C 1.197 177.301 176.094 0.017 0.000 1.336 452 V CA 0.522 62.809 62.300 -0.021 0.000 1.137 452 V CB -0.838 30.955 31.823 -0.051 0.000 0.966 452 V HN 1.438 nan 8.190 nan 0.000 0.428 453 G N 0.117 108.940 108.800 0.039 0.000 2.160 453 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.251 453 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.251 453 G C 0.305 175.217 174.900 0.020 0.000 1.008 453 G CA 0.614 45.735 45.100 0.034 0.000 0.724 453 G HN 0.615 nan 8.290 nan 0.000 0.514 454 F N -0.033 119.802 119.950 -0.193 0.000 2.186 454 F HA 0.322 4.849 4.527 -0.000 0.000 0.299 454 F C 1.158 176.638 175.800 -0.534 0.000 1.090 454 F CA 0.933 58.668 58.000 -0.442 0.000 1.307 454 F CB 0.134 38.724 39.000 -0.683 0.000 1.019 454 F HN 0.264 nan 8.300 nan 0.000 0.489 455 W N 1.185 122.526 121.300 0.069 0.000 2.761 455 W HA 0.252 4.912 4.660 0.000 0.000 0.340 455 W C 1.009 177.511 176.519 -0.028 0.000 1.072 455 W CA -0.857 56.465 57.345 -0.039 0.000 1.215 455 W CB 1.319 30.773 29.460 -0.010 0.000 1.420 455 W HN -0.146 nan 8.180 nan 0.000 0.519 456 K N 0.118 120.618 120.400 0.167 0.000 2.076 456 K HA -0.027 4.293 4.320 -0.000 0.000 0.204 456 K C -0.215 176.418 176.600 0.056 0.000 1.051 456 K CA 1.247 57.579 56.287 0.076 0.000 0.949 456 K CB 0.180 32.701 32.500 0.035 0.000 0.726 456 K HN 0.397 nan 8.250 nan 0.000 0.443 457 D N -1.669 118.754 120.400 0.038 0.000 2.738 457 D HA 0.075 4.715 4.640 -0.000 0.000 0.308 457 D C 0.613 176.859 176.300 -0.090 0.000 1.311 457 D CA -0.786 53.203 54.000 -0.018 0.000 0.799 457 D CB 0.193 40.976 40.800 -0.028 0.000 1.332 457 D HN -0.089 nan 8.370 nan 0.000 0.441 458 L N -0.249 120.871 121.223 -0.172 0.000 2.043 458 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 458 L C 1.332 178.116 176.870 -0.143 0.000 1.075 458 L CA 1.793 56.459 54.840 -0.290 0.000 0.752 458 L CB -0.588 41.159 42.059 -0.520 0.000 0.891 458 L HN 0.446 nan 8.230 nan 0.000 0.432 459 D N -0.065 120.276 120.400 -0.097 0.000 2.123 459 D HA -0.243 4.397 4.640 -0.000 0.000 0.196 459 D C 2.060 178.305 176.300 -0.091 0.000 0.992 459 D CA 1.405 55.365 54.000 -0.065 0.000 0.833 459 D CB -0.040 40.734 40.800 -0.044 0.000 0.954 459 D HN 0.429 nan 8.370 nan 0.000 0.455 460 E N 0.187 120.327 120.200 -0.100 0.000 2.106 460 E HA -0.123 4.227 4.350 -0.000 0.000 0.192 460 E C 2.226 178.675 176.600 -0.251 0.000 0.984 460 E CA 0.472 56.804 56.400 -0.114 0.000 0.806 460 E CB -0.054 29.624 29.700 -0.038 0.000 0.750 460 E HN 0.238 nan 8.360 nan 0.000 0.458 461 L N 0.508 121.513 121.223 -0.363 0.000 2.093 461 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 461 L C 2.562 179.193 176.870 -0.399 0.000 1.085 461 L CA 1.263 55.723 54.840 -0.634 0.000 0.755 461 L CB -0.408 41.209 42.059 -0.736 0.000 0.904 461 L HN 0.080 nan 8.230 nan 0.000 0.435 462 K N 0.294 120.565 120.400 -0.214 0.000 2.057 462 K HA -0.151 4.169 4.320 -0.000 0.000 0.207 462 K C 2.333 178.852 176.600 -0.135 0.000 1.049 462 K CA 1.754 57.950 56.287 -0.152 0.000 0.931 462 K CB -0.271 32.179 32.500 -0.084 0.000 0.714 462 K HN 0.372 nan 8.250 nan 0.000 0.440 463 S N 0.924 116.549 115.700 -0.123 0.000 2.440 463 S HA -0.129 4.341 4.470 -0.000 0.000 0.238 463 S C 1.876 176.423 174.600 -0.088 0.000 1.010 463 S CA 1.099 59.246 58.200 -0.088 0.000 0.972 463 S CB -0.250 62.908 63.200 -0.070 0.000 0.774 463 S HN 0.225 nan 8.310 nan 0.000 0.501 464 M N 1.359 120.877 119.600 -0.138 0.000 2.541 464 M HA 0.301 4.781 4.480 -0.000 0.000 0.252 464 M C 1.038 177.298 176.300 -0.066 0.000 1.125 464 M CA 0.159 55.397 55.300 -0.103 0.000 1.091 464 M CB -0.378 32.118 32.600 -0.174 0.000 1.420 464 M HN 0.400 nan 8.290 nan 0.000 0.486 465 A N 2.284 125.050 122.820 -0.090 0.000 2.580 465 A HA -0.045 4.275 4.320 -0.000 0.000 0.244 465 A C 0.128 177.692 177.584 -0.033 0.000 1.045 465 A CA 0.707 52.705 52.037 -0.066 0.000 0.761 465 A CB -0.266 18.678 19.000 -0.093 0.000 0.962 465 A HN 0.488 nan 8.150 nan 0.000 0.512 466 E N 2.670 122.862 120.200 -0.013 0.000 2.279 466 E HA 0.241 4.591 4.350 -0.000 0.000 0.252 466 E C -0.795 175.805 176.600 0.000 0.000 0.894 466 E CA -0.533 55.867 56.400 0.001 0.000 0.785 466 E CB 0.620 30.334 29.700 0.023 0.000 1.237 466 E HN 0.725 nan 8.360 nan 0.000 0.418 467 E N 2.143 122.338 120.200 -0.008 0.000 2.313 467 E HA 0.316 4.666 4.350 -0.000 0.000 0.272 467 E C 0.205 176.806 176.600 0.001 0.000 1.038 467 E CA -0.231 56.166 56.400 -0.005 0.000 0.863 467 E CB 1.794 31.484 29.700 -0.016 0.000 1.060 467 E HN 0.652 nan 8.360 nan 0.000 0.402 468 G N 0.728 109.536 108.800 0.013 0.000 2.695 468 G HA2 0.116 4.076 3.960 -0.000 0.000 0.213 468 G HA3 0.116 4.076 3.960 -0.000 0.000 0.213 468 G C -0.315 174.577 174.900 -0.015 0.000 1.406 468 G CA -0.431 44.678 45.100 0.014 0.000 1.049 468 G HN 0.474 nan 8.290 nan 0.000 0.573 469 Q N -0.590 119.189 119.800 -0.034 0.000 2.300 469 Q HA 0.274 4.614 4.340 -0.000 0.000 0.280 469 Q C -0.251 175.632 176.000 -0.195 0.000 1.033 469 Q CA -0.129 55.564 55.803 -0.184 0.000 0.903 469 Q CB 0.478 29.011 28.738 -0.343 0.000 1.195 469 Q HN 0.372 nan 8.270 nan 0.000 0.386 470 M N 4.867 124.319 119.600 -0.247 0.000 2.157 470 M HA 0.388 4.868 4.480 -0.000 0.000 0.354 470 M C -1.974 174.162 176.300 -0.274 0.000 1.170 470 M CA 0.000 55.222 55.300 -0.130 0.000 1.060 470 M CB 0.589 33.141 32.600 -0.081 0.000 1.615 470 M HN 0.503 nan 8.290 nan 0.000 0.460 471 F N 3.530 123.461 119.950 -0.031 0.000 2.388 471 F HA 0.534 5.061 4.527 -0.000 0.000 0.358 471 F C 0.446 176.224 175.800 -0.037 0.000 1.122 471 F CA -0.503 57.476 58.000 -0.035 0.000 1.056 471 F CB 1.323 40.297 39.000 -0.044 0.000 1.155 471 F HN 0.654 nan 8.300 nan 0.000 0.461 472 T N 1.398 116.004 114.554 0.085 0.000 2.895 472 T HA 0.555 4.905 4.350 -0.000 0.000 0.283 472 T C -2.849 171.873 174.700 0.038 0.000 1.014 472 T CA -2.876 59.248 62.100 0.041 0.000 1.037 472 T CB 1.606 70.475 68.868 0.002 0.000 1.006 472 T HN 0.112 nan 8.240 nan 0.000 0.468 473 P HA 0.166 nan 4.420 nan 0.000 0.264 473 P C 0.040 177.340 177.300 0.000 0.000 1.183 473 P CA 0.167 63.263 63.100 -0.008 0.000 0.763 473 P CB 0.404 32.090 31.700 -0.024 0.000 0.807 474 E N 1.018 121.219 120.200 0.001 0.000 2.603 474 E HA 0.152 4.502 4.350 -0.000 0.000 0.224 474 E C 0.266 176.871 176.600 0.008 0.000 0.896 474 E CA -0.111 56.295 56.400 0.010 0.000 1.224 474 E CB 0.391 30.106 29.700 0.024 0.000 1.206 474 E HN 0.407 nan 8.360 nan 0.000 0.576 475 M N 2.362 121.960 119.600 -0.003 0.000 2.233 475 M HA 0.325 4.805 4.480 -0.000 0.000 0.355 475 M C -2.550 173.750 176.300 -0.001 0.000 1.191 475 M CA -2.002 53.298 55.300 0.001 0.000 1.101 475 M CB 0.924 33.515 32.600 -0.014 0.000 1.592 475 M HN -0.272 nan 8.290 nan 0.000 0.461 476 P HA 0.154 nan 4.420 nan 0.000 0.272 476 P C -0.364 176.945 177.300 0.015 0.000 1.223 476 P CA -0.083 63.025 63.100 0.014 0.000 0.784 476 P CB 0.698 32.411 31.700 0.021 0.000 0.923 477 A N 2.521 125.348 122.820 0.012 0.000 1.892 477 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 477 A C 1.861 179.465 177.584 0.033 0.000 1.188 477 A CA 1.944 53.990 52.037 0.015 0.000 0.631 477 A CB -1.223 17.785 19.000 0.012 0.000 0.822 477 A HN 0.574 nan 8.150 nan 0.000 0.447 478 E N -0.265 119.957 120.200 0.035 0.000 2.070 478 E HA -0.214 4.136 4.350 -0.000 0.000 0.197 478 E C 1.944 178.581 176.600 0.063 0.000 1.004 478 E CA 1.628 58.056 56.400 0.046 0.000 0.805 478 E CB -0.352 29.372 29.700 0.040 0.000 0.744 478 E HN 0.849 nan 8.360 nan 0.000 0.451 479 E N 0.647 120.884 120.200 0.061 0.000 2.028 479 E HA -0.232 4.118 4.350 -0.000 0.000 0.191 479 E C 2.178 178.841 176.600 0.104 0.000 0.988 479 E CA 1.383 57.832 56.400 0.082 0.000 0.799 479 E CB -0.060 29.683 29.700 0.071 0.000 0.755 479 E HN 0.283 nan 8.360 nan 0.000 0.447 480 R N 0.396 120.938 120.500 0.070 0.000 2.096 480 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 480 R C 1.635 178.014 176.300 0.132 0.000 1.127 480 R CA 1.780 57.919 56.100 0.064 0.000 0.968 480 R CB -0.374 29.914 30.300 -0.020 0.000 0.861 480 R HN 0.147 nan 8.270 nan 0.000 0.440 481 D N 0.696 121.164 120.400 0.113 0.000 2.117 481 D HA -0.175 4.465 4.640 -0.000 0.000 0.198 481 D C 1.573 177.981 176.300 0.180 0.000 0.982 481 D CA 1.085 55.175 54.000 0.150 0.000 0.828 481 D CB -0.515 40.345 40.800 0.099 0.000 0.967 481 D HN 0.414 nan 8.370 nan 0.000 0.464 482 N N 0.730 119.520 118.700 0.149 0.000 2.120 482 N HA -0.115 4.625 4.740 -0.000 0.000 0.188 482 N C 2.092 177.730 175.510 0.213 0.000 1.024 482 N CA 0.512 53.649 53.050 0.146 0.000 0.852 482 N CB -0.015 38.547 38.487 0.124 0.000 1.003 482 N HN 0.145 nan 8.380 nan 0.000 0.424 483 L N -0.164 121.231 121.223 0.287 0.000 2.017 483 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 483 L C 2.468 179.624 176.870 0.476 0.000 1.073 483 L CA 1.220 56.332 54.840 0.453 0.000 0.745 483 L CB -0.691 41.671 42.059 0.504 0.000 0.894 483 L HN 0.236 nan 8.230 nan 0.000 0.432 484 Y N 1.013 121.479 120.300 0.278 0.000 2.242 484 Y HA -0.275 4.275 4.550 -0.000 0.000 0.291 484 Y C 2.535 178.483 175.900 0.080 0.000 1.137 484 Y CA 1.758 59.984 58.100 0.210 0.000 1.181 484 Y CB -0.111 38.456 38.460 0.179 0.000 0.989 484 Y HN 0.205 nan 8.280 nan 0.000 0.527 485 E N -0.161 120.059 120.200 0.032 0.000 2.110 485 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 485 E C 2.427 178.864 176.600 -0.271 0.000 0.988 485 E CA 1.693 58.022 56.400 -0.118 0.000 0.804 485 E CB -0.977 28.714 29.700 -0.015 0.000 0.745 485 E HN 0.470 nan 8.360 nan 0.000 0.458 486 G N 0.505 109.157 108.800 -0.247 0.000 2.408 486 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.217 486 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.217 486 G C 1.467 175.638 174.900 -1.215 0.000 1.150 486 G CA 0.685 45.428 45.100 -0.595 0.000 0.776 486 G HN 0.465 nan 8.290 nan 0.000 0.542 487 W N 1.688 122.244 121.300 -1.240 0.000 2.355 487 W HA -0.069 4.591 4.660 0.000 0.000 0.309 487 W C 2.180 178.225 176.519 -0.790 0.000 1.206 487 W CA 1.513 58.183 57.345 -1.125 0.000 1.284 487 W CB -0.116 28.689 29.460 -1.092 0.000 1.145 487 W HN 0.184 nan 8.180 nan 0.000 0.502 488 K N 0.223 120.177 120.400 -0.744 0.000 2.063 488 K HA -0.248 4.072 4.320 -0.000 0.000 0.208 488 K C 2.203 178.418 176.600 -0.641 0.000 1.048 488 K CA 1.839 57.729 56.287 -0.662 0.000 0.928 488 K CB -0.500 31.710 32.500 -0.483 0.000 0.713 488 K HN 0.307 nan 8.250 nan 0.000 0.442 489 Q N -0.057 119.372 119.800 -0.618 0.000 2.084 489 Q HA -0.132 4.208 4.340 -0.000 0.000 0.202 489 Q C 2.203 177.726 176.000 -0.796 0.000 0.978 489 Q CA 1.381 56.839 55.803 -0.576 0.000 0.844 489 Q CB -0.106 28.346 28.738 -0.477 0.000 0.898 489 Q HN 0.352 nan 8.270 nan 0.000 0.426 490 A N 0.118 122.331 122.820 -1.011 0.000 1.902 490 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 490 A C 2.272 179.216 177.584 -1.067 0.000 1.181 490 A CA 1.359 52.621 52.037 -1.291 0.000 0.623 490 A CB -0.647 17.821 19.000 -0.887 0.000 0.818 490 A HN 0.220 nan 8.150 nan 0.000 0.443 491 V N -0.134 119.145 119.914 -1.059 0.000 2.358 491 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 491 V C 3.057 178.768 176.094 -0.638 0.000 1.047 491 V CA 1.857 63.607 62.300 -0.916 0.000 1.035 491 V CB -1.261 29.890 31.823 -1.120 0.000 0.658 491 V HN 0.611 nan 8.190 nan 0.000 0.452 492 A N 0.102 122.585 122.820 -0.562 0.000 1.908 492 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 492 A C 2.410 179.807 177.584 -0.311 0.000 1.181 492 A CA 2.203 54.019 52.037 -0.369 0.000 0.627 492 A CB -0.766 18.048 19.000 -0.309 0.000 0.818 492 A HN 0.577 nan 8.150 nan 0.000 0.445 493 A N -1.189 121.375 122.820 -0.426 0.000 1.930 493 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 493 A C 2.284 179.829 177.584 -0.064 0.000 1.175 493 A CA 2.166 54.026 52.037 -0.296 0.000 0.627 493 A CB -1.174 17.478 19.000 -0.579 0.000 0.815 493 A HN 0.429 nan 8.150 nan 0.000 0.443 494 T N 0.300 114.795 114.554 -0.099 0.000 2.708 494 T HA -0.182 4.168 4.350 -0.000 0.000 0.266 494 T C 1.975 176.696 174.700 0.034 0.000 1.037 494 T CA 1.740 63.886 62.100 0.077 0.000 1.146 494 T CB -0.286 68.558 68.868 -0.039 0.000 0.865 494 T HN 0.620 nan 8.240 nan 0.000 0.435 495 Q N 0.205 119.950 119.800 -0.091 0.000 2.291 495 Q HA -0.045 4.295 4.340 -0.000 0.000 0.205 495 Q C 2.406 178.406 176.000 0.000 0.000 0.970 495 Q CA 1.032 56.800 55.803 -0.059 0.000 0.876 495 Q CB -0.257 28.407 28.738 -0.123 0.000 0.935 495 Q HN 0.440 nan 8.270 nan 0.000 0.455 496 T N 0.670 115.232 114.554 0.014 0.000 2.821 496 T HA -0.100 4.250 4.350 -0.000 0.000 0.267 496 T C 0.248 175.013 174.700 0.108 0.000 1.046 496 T CA 0.455 62.579 62.100 0.041 0.000 1.139 496 T CB -0.166 68.720 68.868 0.030 0.000 0.871 496 T HN 0.153 nan 8.240 nan 0.000 0.454 497 F N 3.038 123.004 119.950 0.026 0.000 2.462 497 F HA 0.259 4.786 4.527 -0.000 0.000 0.360 497 F C 0.661 176.503 175.800 0.070 0.000 1.134 497 F CA -0.384 57.652 58.000 0.060 0.000 1.148 497 F CB 0.276 39.318 39.000 0.071 0.000 1.147 497 F HN -0.302 nan 8.300 nan 0.000 0.550 498 K N 7.390 127.566 120.400 -0.373 0.000 2.972 498 K HA 0.059 4.379 4.320 -0.000 0.000 0.209 498 K C -0.314 176.085 176.600 -0.335 0.000 1.128 498 K CA -0.311 55.812 56.287 -0.275 0.000 1.024 498 K CB -0.107 32.328 32.500 -0.108 0.000 0.754 498 K HN 0.527 nan 8.250 nan 0.000 0.454 499 F N 0.000 119.436 119.950 -0.857 0.000 2.286 499 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 499 F CA 0.000 57.669 58.000 -0.552 0.000 1.383 499 F CB 0.000 38.598 39.000 -0.669 0.000 1.145 499 F HN 0.000 nan 8.300 nan 0.000 0.574