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 2d2x_1_B DATA FIRST_RESID 2 DATA SEQUENCE TTKQIcFADR cFNFAFGEHV LESVESYIPR DEFDQYIMIS DSGVPDSIVH DATA SEQUENCE YAAEYFGKLA PVHILRFQGG EEYKTLSTVT NLQERAIALG ANRRTAIVAV DATA SEQUENCE GGGLTGNVAG VAAGMMFRGI ALIHVPTTFL AASDSVLSIK QAVNLTSGKN DATA SEQUENCE LVGFYYPPRF VFADTRILSE SPPRQVKAGM CELVKNMLIL ENDNKEFTED DATA SEQUENCE DLNSANVYSP KQLETFINFC ISAKMSVLSE DIYEKKKGLI FEYGHTIGHA DATA SEQUENCE IELAEQGGIT HGEAIAVGMI YAAKIANRMN LMPEHDVSAH YWLLNKIGAL DATA SEQUENCE QDIXXXXDPD SIFHYLIXXX XXXXXXXXED NLGMILLSGV GKPAMYNQTL DATA SEQUENCE LTPVRKTLIK EVIREGL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.305 174.700 -0.659 0.000 1.109 2 T CA 0.000 61.732 62.100 -0.614 0.000 1.349 2 T CB 0.000 68.347 68.868 -0.868 0.000 0.612 3 T N 3.334 117.724 114.554 -0.274 0.000 2.937 3 T HA 0.589 4.932 4.350 -0.011 0.000 0.297 3 T C -1.044 173.683 174.700 0.044 0.000 0.991 3 T CA -0.954 61.119 62.100 -0.045 0.000 0.990 3 T CB 1.188 70.156 68.868 0.167 0.000 0.991 3 T HN 0.289 nan 8.240 nan 0.000 0.440 4 K N 2.316 122.796 120.400 0.133 0.000 2.316 4 K HA 0.396 4.710 4.320 -0.011 0.000 0.251 4 K C -0.407 176.239 176.600 0.076 0.000 0.934 4 K CA -0.793 55.556 56.287 0.104 0.000 0.802 4 K CB 2.707 35.279 32.500 0.120 0.000 1.171 4 K HN 0.612 nan 8.250 nan 0.000 0.426 5 Q N 3.152 122.953 119.800 0.000 0.000 2.279 5 Q HA 0.271 4.605 4.340 -0.011 0.000 0.256 5 Q C -0.720 175.163 176.000 -0.195 0.000 0.937 5 Q CA -0.465 55.293 55.803 -0.074 0.000 0.933 5 Q CB 0.662 29.366 28.738 -0.057 0.000 1.189 5 Q HN 0.382 nan 8.270 nan 0.000 0.417 6 I N 4.188 124.502 120.570 -0.427 0.000 2.339 6 I HA 0.287 4.450 4.170 -0.011 0.000 0.290 6 I C -0.619 175.158 176.117 -0.567 0.000 0.994 6 I CA -0.650 60.282 61.300 -0.614 0.000 1.191 6 I CB 0.889 38.222 38.000 -1.112 0.000 1.343 6 I HN 0.691 nan 8.210 nan 0.000 0.458 7 c N 6.773 125.145 118.600 -0.380 0.000 2.340 7 c HA 0.500 5.064 4.570 -0.011 0.000 0.323 7 c C -0.116 173.808 174.090 -0.277 0.000 1.260 7 c CA -0.583 55.609 56.329 -0.228 0.000 1.464 7 c CB 0.348 42.760 42.510 -0.163 0.000 2.156 7 c HN 0.508 nan 8.230 nan 0.000 0.476 8 F N 3.137 123.032 119.950 -0.093 0.000 2.293 8 F HA 0.559 5.080 4.527 -0.010 0.000 0.370 8 F C 0.945 176.691 175.800 -0.090 0.000 1.090 8 F CA 0.939 58.892 58.000 -0.078 0.000 1.133 8 F CB 0.472 39.451 39.000 -0.036 0.000 1.360 8 F HN 1.006 nan 8.300 nan 0.000 0.489 9 A N 2.610 125.424 122.820 -0.010 0.000 5.167 9 A HA -0.343 3.971 4.320 -0.011 0.000 0.301 9 A C 1.553 179.128 177.584 -0.015 0.000 2.015 9 A CA 1.517 53.539 52.037 -0.025 0.000 0.715 9 A CB -1.567 17.417 19.000 -0.026 0.000 1.256 9 A HN 0.683 nan 8.150 nan 0.000 0.360 10 D N 0.822 121.222 120.400 0.000 0.000 2.369 10 D HA 0.143 4.777 4.640 -0.011 0.000 0.211 10 D C 0.579 176.887 176.300 0.014 0.000 1.077 10 D CA 0.379 54.379 54.000 0.000 0.000 0.842 10 D CB -0.192 40.608 40.800 -0.000 0.000 0.947 10 D HN 0.623 nan 8.370 nan 0.000 0.509 11 R N 0.521 121.045 120.500 0.041 0.000 2.215 11 R HA 0.457 4.790 4.340 -0.011 0.000 0.337 11 R C -0.580 175.784 176.300 0.107 0.000 1.010 11 R CA -0.451 55.685 56.100 0.060 0.000 0.871 11 R CB 1.063 31.394 30.300 0.052 0.000 1.134 11 R HN 0.067 nan 8.270 nan 0.000 0.477 12 c N 2.625 121.259 118.600 0.057 0.000 2.505 12 c HA 0.801 5.364 4.570 -0.011 0.000 0.358 12 c C -0.485 173.655 174.090 0.082 0.000 1.226 12 c CA -0.907 55.425 56.329 0.004 0.000 1.900 12 c CB 0.645 43.114 42.510 -0.070 0.000 2.306 12 c HN 0.848 nan 8.230 nan 0.000 0.512 13 F N -0.776 119.143 119.950 -0.051 0.000 2.703 13 F HA 0.502 5.023 4.527 -0.010 0.000 0.308 13 F C -1.103 174.664 175.800 -0.055 0.000 1.126 13 F CA -1.013 56.901 58.000 -0.143 0.000 0.959 13 F CB 0.607 39.506 39.000 -0.168 0.000 1.297 13 F HN 0.357 nan 8.300 nan 0.000 0.441 14 N N 2.365 121.148 118.700 0.138 0.000 2.472 14 N HA 0.285 5.019 4.740 -0.011 0.000 0.277 14 N C -1.674 174.030 175.510 0.323 0.000 1.081 14 N CA -0.139 53.029 53.050 0.196 0.000 0.973 14 N CB 1.553 40.204 38.487 0.272 0.000 1.105 14 N HN 0.790 nan 8.380 nan 0.000 0.470 15 F N 1.580 121.604 119.950 0.123 0.000 2.347 15 F HA 0.524 5.045 4.527 -0.010 0.000 0.366 15 F C -0.473 175.432 175.800 0.175 0.000 1.107 15 F CA -1.012 57.089 58.000 0.167 0.000 1.058 15 F CB 0.727 39.873 39.000 0.243 0.000 1.236 15 F HN 0.384 nan 8.300 nan 0.000 0.456 16 A N 6.846 129.903 122.820 0.395 0.000 2.317 16 A HA 0.720 5.033 4.320 -0.011 0.000 0.327 16 A C -1.495 176.307 177.584 0.362 0.000 1.178 16 A CA -0.506 51.593 52.037 0.103 0.000 0.817 16 A CB 0.537 19.345 19.000 -0.319 0.000 1.189 16 A HN 0.809 nan 8.150 nan 0.000 0.489 17 F N 0.278 120.236 119.950 0.013 0.000 2.588 17 F HA 0.823 5.344 4.527 -0.011 0.000 0.318 17 F C 0.115 175.929 175.800 0.024 0.000 1.155 17 F CA -0.227 57.798 58.000 0.041 0.000 0.967 17 F CB 1.433 40.368 39.000 -0.107 0.000 1.236 17 F HN 1.037 nan 8.300 nan 0.000 0.455 18 G N 1.642 110.504 108.800 0.103 0.000 2.322 18 G HA2 0.326 4.280 3.960 -0.011 0.000 0.295 18 G HA3 0.326 4.280 3.960 -0.011 0.000 0.295 18 G C -2.099 172.807 174.900 0.009 0.000 1.369 18 G CA -1.123 43.984 45.100 0.012 0.000 0.821 18 G HN 0.714 nan 8.290 nan 0.000 0.536 19 E N 1.028 121.190 120.200 -0.063 0.000 2.344 19 E HA 0.257 4.600 4.350 -0.011 0.000 0.270 19 E C -0.299 176.201 176.600 -0.167 0.000 1.021 19 E CA -0.303 55.960 56.400 -0.228 0.000 0.887 19 E CB 0.211 29.727 29.700 -0.307 0.000 0.997 19 E HN 0.554 nan 8.360 nan 0.000 0.429 20 H N 0.400 119.500 119.070 0.051 0.000 2.677 20 H HA -0.128 4.421 4.556 -0.011 0.000 0.321 20 H C 1.008 176.330 175.328 -0.010 0.000 1.171 20 H CA 0.659 56.729 56.048 0.037 0.000 1.139 20 H CB -2.180 27.595 29.762 0.022 0.000 1.515 20 H HN 0.450 nan 8.280 nan 0.000 0.423 21 V N -2.716 117.253 119.914 0.092 0.000 2.591 21 V HA -0.139 3.975 4.120 -0.011 0.000 0.249 21 V C 2.534 178.587 176.094 -0.068 0.000 1.053 21 V CA 1.286 63.635 62.300 0.081 0.000 1.068 21 V CB -0.354 31.574 31.823 0.175 0.000 0.689 21 V HN 0.391 nan 8.190 nan 0.000 0.462 22 L N 0.305 121.411 121.223 -0.195 0.000 2.201 22 L HA -0.073 4.261 4.340 -0.011 0.000 0.212 22 L C 2.482 178.926 176.870 -0.710 0.000 1.105 22 L CA 1.498 56.032 54.840 -0.511 0.000 0.775 22 L CB -0.694 41.070 42.059 -0.492 0.000 0.913 22 L HN 0.414 nan 8.230 nan 0.000 0.440 23 E N -0.088 119.679 120.200 -0.722 0.000 2.520 23 E HA -0.085 4.259 4.350 -0.011 0.000 0.201 23 E C 0.962 177.460 176.600 -0.170 0.000 1.122 23 E CA 0.685 56.674 56.400 -0.685 0.000 0.896 23 E CB 0.027 29.487 29.700 -0.399 0.000 0.891 23 E HN 0.465 nan 8.360 nan 0.000 0.533 24 S N -1.896 113.721 115.700 -0.139 0.000 3.101 24 S HA 0.019 4.483 4.470 -0.011 0.000 0.252 24 S C 1.356 176.003 174.600 0.078 0.000 0.920 24 S CA -0.018 58.196 58.200 0.023 0.000 1.158 24 S CB -0.391 62.898 63.200 0.150 0.000 1.125 24 S HN 0.134 nan 8.310 nan 0.000 0.608 25 V N 0.285 120.076 119.914 -0.205 0.000 2.568 25 V HA -0.113 4.001 4.120 -0.011 0.000 0.253 25 V C 1.929 177.964 176.094 -0.099 0.000 1.072 25 V CA 1.965 64.053 62.300 -0.353 0.000 1.084 25 V CB -1.136 30.075 31.823 -1.020 0.000 0.676 25 V HN 0.587 nan 8.190 nan 0.000 0.469 26 E N 1.890 122.032 120.200 -0.096 0.000 2.463 26 E HA -0.103 4.240 4.350 -0.011 0.000 0.201 26 E C 2.113 178.702 176.600 -0.019 0.000 1.045 26 E CA 1.269 57.640 56.400 -0.049 0.000 0.872 26 E CB -0.192 29.480 29.700 -0.046 0.000 0.797 26 E HN 0.915 nan 8.360 nan 0.000 0.538 27 S N -0.944 114.744 115.700 -0.021 0.000 2.524 27 S HA 0.044 4.507 4.470 -0.011 0.000 0.215 27 S C 1.205 175.645 174.600 -0.267 0.000 0.986 27 S CA -0.266 57.833 58.200 -0.170 0.000 0.911 27 S CB 0.015 63.041 63.200 -0.291 0.000 0.805 27 S HN 0.240 nan 8.310 nan 0.000 0.501 28 Y N 1.062 121.421 120.300 0.099 0.000 2.535 28 Y HA 0.545 5.089 4.550 -0.011 0.000 0.264 28 Y C 0.567 176.547 175.900 0.134 0.000 1.087 28 Y CA -0.752 57.465 58.100 0.196 0.000 1.285 28 Y CB 0.473 39.139 38.460 0.344 0.000 1.200 28 Y HN 0.181 nan 8.280 nan 0.000 0.514 29 I N 3.708 124.356 120.570 0.130 0.000 2.389 29 I HA 0.312 4.476 4.170 -0.011 0.000 0.288 29 I C -2.524 173.645 176.117 0.086 0.000 0.999 29 I CA -2.349 58.975 61.300 0.040 0.000 1.129 29 I CB 1.822 39.776 38.000 -0.076 0.000 1.288 29 I HN -0.210 nan 8.210 nan 0.000 0.444 30 P HA 0.174 nan 4.420 nan 0.000 0.271 30 P C 0.111 177.447 177.300 0.060 0.000 1.216 30 P CA -0.317 62.817 63.100 0.057 0.000 0.771 30 P CB 0.927 32.651 31.700 0.040 0.000 0.864 31 R N 1.782 122.317 120.500 0.057 0.000 2.249 31 R HA -0.107 4.227 4.340 -0.011 0.000 0.230 31 R C 1.277 177.612 176.300 0.058 0.000 1.121 31 R CA 1.483 57.630 56.100 0.080 0.000 0.997 31 R CB -0.255 30.079 30.300 0.057 0.000 0.867 31 R HN 0.636 nan 8.270 nan 0.000 0.465 32 D N -0.334 120.074 120.400 0.013 0.000 2.354 32 D HA -0.091 4.542 4.640 -0.011 0.000 0.209 32 D C 1.435 177.684 176.300 -0.086 0.000 1.015 32 D CA 0.218 54.207 54.000 -0.019 0.000 0.867 32 D CB 0.103 40.891 40.800 -0.020 0.000 0.933 32 D HN 0.026 nan 8.370 nan 0.000 0.520 33 E N 0.382 120.491 120.200 -0.151 0.000 2.023 33 E HA -0.079 4.264 4.350 -0.011 0.000 0.196 33 E C -0.234 175.991 176.600 -0.624 0.000 1.003 33 E CA 1.087 57.219 56.400 -0.448 0.000 0.809 33 E CB -0.084 29.254 29.700 -0.604 0.000 0.755 33 E HN 0.296 nan 8.360 nan 0.000 0.449 34 F N -0.072 119.879 119.950 0.002 0.000 2.538 34 F HA 0.260 4.780 4.527 -0.011 0.000 0.325 34 F C 0.926 176.628 175.800 -0.163 0.000 1.066 34 F CA -0.536 57.383 58.000 -0.136 0.000 0.946 34 F CB 1.437 40.231 39.000 -0.343 0.000 1.199 34 F HN -0.028 nan 8.300 nan 0.000 0.473 35 D N -0.181 120.231 120.400 0.021 0.000 2.398 35 D HA 0.057 4.690 4.640 -0.011 0.000 0.210 35 D C -0.093 176.188 176.300 -0.032 0.000 1.094 35 D CA 0.289 54.287 54.000 -0.003 0.000 0.839 35 D CB 0.882 41.685 40.800 0.005 0.000 0.963 35 D HN 0.631 nan 8.370 nan 0.000 0.506 36 Q N -0.747 118.960 119.800 -0.155 0.000 2.666 36 Q HA 0.275 4.609 4.340 -0.011 0.000 0.276 36 Q C -2.186 173.605 176.000 -0.348 0.000 0.952 36 Q CA -0.677 55.053 55.803 -0.122 0.000 0.850 36 Q CB 1.402 30.151 28.738 0.019 0.000 1.512 36 Q HN 0.047 nan 8.270 nan 0.000 0.395 37 Y N 2.187 122.514 120.300 0.046 0.000 2.338 37 Y HA 0.463 5.007 4.550 -0.011 0.000 0.333 37 Y C -0.226 175.658 175.900 -0.026 0.000 0.968 37 Y CA -0.913 57.163 58.100 -0.041 0.000 1.123 37 Y CB 1.562 39.973 38.460 -0.082 0.000 1.165 37 Y HN 0.435 nan 8.280 nan 0.000 0.452 38 I N 4.964 125.587 120.570 0.088 0.000 2.306 38 I HA 0.247 4.410 4.170 -0.011 0.000 0.288 38 I C -0.174 175.954 176.117 0.018 0.000 1.036 38 I CA -0.534 60.812 61.300 0.078 0.000 1.221 38 I CB 0.996 39.028 38.000 0.054 0.000 1.385 38 I HN 0.706 nan 8.210 nan 0.000 0.472 39 M N 7.680 127.287 119.600 0.013 0.000 2.084 39 M HA 0.445 4.919 4.480 -0.011 0.000 0.351 39 M C -0.836 175.471 176.300 0.013 0.000 1.240 39 M CA -0.056 55.219 55.300 -0.042 0.000 1.083 39 M CB 0.546 33.104 32.600 -0.070 0.000 1.593 39 M HN 0.373 nan 8.290 nan 0.000 0.463 40 I N 3.739 124.324 120.570 0.025 0.000 2.354 40 I HA 0.423 4.586 4.170 -0.011 0.000 0.292 40 I C -0.558 175.634 176.117 0.125 0.000 0.989 40 I CA -0.387 60.977 61.300 0.107 0.000 1.188 40 I CB 1.864 39.932 38.000 0.113 0.000 1.342 40 I HN 0.626 nan 8.210 nan 0.000 0.457 41 S N 3.650 119.425 115.700 0.126 0.000 2.566 41 S HA 0.228 4.692 4.470 -0.011 0.000 0.273 41 S C -1.067 173.360 174.600 -0.288 0.000 1.157 41 S CA -1.026 57.163 58.200 -0.018 0.000 0.938 41 S CB 1.700 64.861 63.200 -0.066 0.000 1.087 41 S HN 0.786 nan 8.310 nan 0.000 0.474 42 D N 0.968 120.996 120.400 -0.619 0.000 2.361 42 D HA 0.223 4.856 4.640 -0.011 0.000 0.239 42 D C 1.355 177.330 176.300 -0.542 0.000 1.200 42 D CA -0.285 53.017 54.000 -1.162 0.000 0.915 42 D CB 0.501 40.655 40.800 -1.076 0.000 1.170 42 D HN 0.321 nan 8.370 nan 0.000 0.444 43 S N 0.416 115.830 115.700 -0.478 0.000 2.419 43 S HA -0.123 4.341 4.470 -0.011 0.000 0.235 43 S C 2.087 176.568 174.600 -0.197 0.000 1.019 43 S CA 0.526 58.565 58.200 -0.269 0.000 0.982 43 S CB -1.057 62.004 63.200 -0.231 0.000 0.789 43 S HN 0.729 nan 8.310 nan 0.000 0.490 44 G N 0.924 109.600 108.800 -0.207 0.000 2.625 44 G HA2 0.181 4.135 3.960 -0.011 0.000 0.214 44 G HA3 0.181 4.135 3.960 -0.011 0.000 0.214 44 G C 0.327 175.163 174.900 -0.106 0.000 1.132 44 G CA 0.143 45.162 45.100 -0.134 0.000 0.782 44 G HN 0.457 nan 8.290 nan 0.000 0.538 45 V N 1.565 121.404 119.914 -0.126 0.000 2.465 45 V HA 0.232 4.346 4.120 -0.011 0.000 0.279 45 V C -1.925 174.124 176.094 -0.075 0.000 1.045 45 V CA -1.750 60.496 62.300 -0.089 0.000 0.938 45 V CB 1.643 33.408 31.823 -0.096 0.000 0.986 45 V HN -0.005 nan 8.190 nan 0.000 0.467 46 P HA 0.050 nan 4.420 nan 0.000 0.260 46 P C 0.285 177.558 177.300 -0.045 0.000 1.185 46 P CA 0.127 63.209 63.100 -0.030 0.000 0.763 46 P CB 0.430 32.124 31.700 -0.010 0.000 0.776 47 D N 1.666 122.043 120.400 -0.038 0.000 2.133 47 D HA -0.173 4.460 4.640 -0.011 0.000 0.195 47 D C 1.891 178.168 176.300 -0.039 0.000 0.997 47 D CA 1.989 55.933 54.000 -0.093 0.000 0.840 47 D CB -0.609 40.250 40.800 0.099 0.000 0.947 47 D HN 0.417 nan 8.370 nan 0.000 0.452 48 S N 0.590 116.347 115.700 0.096 0.000 2.387 48 S HA -0.190 4.273 4.470 -0.011 0.000 0.230 48 S C 2.240 176.919 174.600 0.132 0.000 1.035 48 S CA 0.875 59.161 58.200 0.144 0.000 1.014 48 S CB -0.726 62.523 63.200 0.082 0.000 0.836 48 S HN 0.324 nan 8.310 nan 0.000 0.466 49 I N 1.132 121.742 120.570 0.066 0.000 2.286 49 I HA -0.087 4.076 4.170 -0.011 0.000 0.245 49 I C 2.475 178.662 176.117 0.117 0.000 1.104 49 I CA 0.866 62.234 61.300 0.114 0.000 1.397 49 I CB -0.547 37.492 38.000 0.064 0.000 1.072 49 I HN 0.209 nan 8.210 nan 0.000 0.417 50 V N 0.801 120.687 119.914 -0.047 0.000 2.287 50 V HA -0.299 3.815 4.120 -0.011 0.000 0.248 50 V C 2.499 178.535 176.094 -0.096 0.000 1.053 50 V CA 1.895 64.114 62.300 -0.135 0.000 1.027 50 V CB -1.013 30.621 31.823 -0.315 0.000 0.646 50 V HN 0.437 nan 8.190 nan 0.000 0.447 51 H N -1.792 117.344 119.070 0.109 0.000 2.462 51 H HA -0.114 4.435 4.556 -0.011 0.000 0.292 51 H C 2.114 177.534 175.328 0.154 0.000 1.049 51 H CA 1.734 57.843 56.048 0.102 0.000 1.334 51 H CB -0.339 29.473 29.762 0.083 0.000 1.404 51 H HN 0.585 nan 8.280 nan 0.000 0.544 52 Y N 1.706 122.112 120.300 0.176 0.000 2.163 52 Y HA -0.098 4.445 4.550 -0.011 0.000 0.288 52 Y C 2.635 178.688 175.900 0.255 0.000 1.136 52 Y CA 1.335 59.556 58.100 0.201 0.000 1.147 52 Y CB -0.453 38.105 38.460 0.164 0.000 0.987 52 Y HN 0.114 nan 8.280 nan 0.000 0.509 53 A N 0.551 123.453 122.820 0.137 0.000 1.930 53 A HA -0.058 4.255 4.320 -0.011 0.000 0.217 53 A C 2.413 180.097 177.584 0.167 0.000 1.175 53 A CA 1.760 53.860 52.037 0.105 0.000 0.627 53 A CB -1.460 17.628 19.000 0.148 0.000 0.815 53 A HN 0.607 nan 8.150 nan 0.000 0.443 54 A N -0.327 122.556 122.820 0.105 0.000 1.933 54 A HA -0.179 4.135 4.320 -0.011 0.000 0.218 54 A C 1.995 179.603 177.584 0.040 0.000 1.175 54 A CA 1.772 53.856 52.037 0.079 0.000 0.628 54 A CB -0.516 18.531 19.000 0.078 0.000 0.814 54 A HN 0.675 nan 8.150 nan 0.000 0.444 55 E N -1.465 118.729 120.200 -0.011 0.000 2.110 55 E HA -0.224 4.119 4.350 -0.011 0.000 0.193 55 E C 1.597 178.002 176.600 -0.325 0.000 0.988 55 E CA 1.515 57.814 56.400 -0.169 0.000 0.804 55 E CB -0.217 29.344 29.700 -0.232 0.000 0.745 55 E HN 0.771 nan 8.360 nan 0.000 0.458 56 Y N -1.423 118.747 120.300 -0.217 0.000 2.365 56 Y HA -0.006 4.537 4.550 -0.011 0.000 0.293 56 Y C 1.705 177.387 175.900 -0.364 0.000 1.119 56 Y CA 0.606 58.520 58.100 -0.311 0.000 1.203 56 Y CB 0.011 38.199 38.460 -0.454 0.000 1.026 56 Y HN 0.067 nan 8.280 nan 0.000 0.549 57 F N -0.762 119.065 119.950 -0.205 0.000 2.367 57 F HA 0.033 4.554 4.527 -0.010 0.000 0.298 57 F C 2.386 178.045 175.800 -0.235 0.000 1.094 57 F CA 1.059 58.831 58.000 -0.381 0.000 1.409 57 F CB -0.585 38.077 39.000 -0.563 0.000 1.064 57 F HN -0.009 nan 8.300 nan 0.000 0.528 58 G N -0.408 108.398 108.800 0.010 0.000 2.625 58 G HA2 -0.177 3.776 3.960 -0.011 0.000 0.214 58 G HA3 -0.177 3.776 3.960 -0.011 0.000 0.214 58 G C 1.597 176.487 174.900 -0.016 0.000 1.132 58 G CA 0.336 45.441 45.100 0.009 0.000 0.782 58 G HN 0.278 nan 8.290 nan 0.000 0.538 59 K N -0.558 119.805 120.400 -0.062 0.000 2.361 59 K HA 0.282 4.595 4.320 -0.011 0.000 0.196 59 K C 1.969 178.567 176.600 -0.003 0.000 1.039 59 K CA 0.042 56.293 56.287 -0.060 0.000 1.001 59 K CB 0.114 32.550 32.500 -0.107 0.000 0.795 59 K HN 0.289 nan 8.250 nan 0.000 0.495 60 L N -0.211 121.040 121.223 0.046 0.000 2.316 60 L HA 0.204 4.537 4.340 -0.011 0.000 0.207 60 L C 0.747 177.761 176.870 0.240 0.000 1.070 60 L CA -0.028 54.903 54.840 0.152 0.000 0.820 60 L CB 0.277 42.473 42.059 0.228 0.000 0.992 60 L HN 0.017 nan 8.230 nan 0.000 0.466 61 A N -1.435 121.565 122.820 0.299 0.000 2.540 61 A HA 0.585 4.899 4.320 -0.011 0.000 0.291 61 A C -2.782 174.929 177.584 0.211 0.000 1.083 61 A CA -0.832 51.351 52.037 0.243 0.000 0.650 61 A CB 0.147 19.292 19.000 0.242 0.000 1.292 61 A HN -0.226 nan 8.150 nan 0.000 0.435 62 P HA 0.365 nan 4.420 nan 0.000 0.268 62 P C -0.825 176.478 177.300 0.005 0.000 1.204 62 P CA 0.117 63.223 63.100 0.011 0.000 0.768 62 P CB 0.699 32.387 31.700 -0.020 0.000 0.842 63 V N 4.955 124.811 119.914 -0.098 0.000 2.459 63 V HA 0.304 4.418 4.120 -0.011 0.000 0.295 63 V C -0.089 175.845 176.094 -0.268 0.000 1.029 63 V CA -0.447 61.815 62.300 -0.063 0.000 0.874 63 V CB 1.251 33.083 31.823 0.015 0.000 0.985 63 V HN 0.569 nan 8.190 nan 0.000 0.438 64 H N 4.752 123.866 119.070 0.073 0.000 2.646 64 H HA 0.504 5.054 4.556 -0.010 0.000 0.328 64 H C -0.527 174.827 175.328 0.043 0.000 0.998 64 H CA -0.414 55.666 56.048 0.054 0.000 1.225 64 H CB 1.896 31.686 29.762 0.046 0.000 1.457 64 H HN 0.491 nan 8.280 nan 0.000 0.505 65 I N 4.803 125.462 120.570 0.148 0.000 2.371 65 I HA 0.116 4.279 4.170 -0.011 0.000 0.290 65 I C 0.051 176.227 176.117 0.099 0.000 1.028 65 I CA -0.172 61.186 61.300 0.097 0.000 1.345 65 I CB 0.806 38.856 38.000 0.082 0.000 1.407 65 I HN 0.250 nan 8.210 nan 0.000 0.501 66 L N 7.137 128.412 121.223 0.086 0.000 2.342 66 L HA 0.499 4.833 4.340 -0.011 0.000 0.276 66 L C -0.286 176.659 176.870 0.125 0.000 0.997 66 L CA -0.815 54.083 54.840 0.096 0.000 0.838 66 L CB 1.026 43.137 42.059 0.086 0.000 1.224 66 L HN 0.527 nan 8.230 nan 0.000 0.416 67 R N 3.332 123.895 120.500 0.104 0.000 2.598 67 R HA 0.715 5.049 4.340 -0.011 0.000 0.279 67 R C -0.743 175.658 176.300 0.167 0.000 0.984 67 R CA -0.597 55.547 56.100 0.074 0.000 0.999 67 R CB 1.960 32.254 30.300 -0.011 0.000 1.114 67 R HN 0.482 nan 8.270 nan 0.000 0.493 68 F N -1.823 118.105 119.950 -0.037 0.000 2.645 68 F HA 0.360 4.882 4.527 -0.009 0.000 0.310 68 F C -0.335 175.407 175.800 -0.097 0.000 1.102 68 F CA -1.599 56.374 58.000 -0.046 0.000 0.952 68 F CB 1.287 40.276 39.000 -0.018 0.000 1.326 68 F HN 0.283 nan 8.300 nan 0.000 0.456 69 Q N 2.297 122.063 119.800 -0.057 0.000 2.239 69 Q HA 0.433 4.767 4.340 -0.011 0.000 0.286 69 Q C 0.323 176.119 176.000 -0.340 0.000 1.102 69 Q CA 0.797 56.386 55.803 -0.357 0.000 0.936 69 Q CB 0.629 28.891 28.738 -0.794 0.000 1.127 69 Q HN 1.010 nan 8.270 nan 0.000 0.380 70 G N 2.567 111.136 108.800 -0.385 0.000 2.653 70 G HA2 0.530 4.483 3.960 -0.011 0.000 0.265 70 G HA3 0.530 4.483 3.960 -0.011 0.000 0.265 70 G C -0.104 174.732 174.900 -0.106 0.000 1.237 70 G CA -0.133 44.809 45.100 -0.263 0.000 0.946 70 G HN 1.272 nan 8.290 nan 0.000 0.522 71 G N -1.191 107.607 108.800 -0.004 0.000 2.906 71 G HA2 0.022 3.975 3.960 -0.011 0.000 0.686 71 G HA3 0.022 3.975 3.960 -0.011 0.000 0.686 71 G C 0.235 175.222 174.900 0.145 0.000 1.170 71 G CA 0.464 45.607 45.100 0.071 0.000 0.775 71 G HN 0.794 nan 8.290 nan 0.000 0.630 72 E N 0.410 120.671 120.200 0.101 0.000 2.267 72 E HA -0.068 4.275 4.350 -0.011 0.000 0.197 72 E C 2.167 178.826 176.600 0.098 0.000 0.998 72 E CA 2.234 58.686 56.400 0.086 0.000 0.830 72 E CB 0.085 29.816 29.700 0.051 0.000 0.751 72 E HN 0.699 nan 8.360 nan 0.000 0.491 73 E N -1.432 118.851 120.200 0.139 0.000 2.274 73 E HA -0.116 4.227 4.350 -0.011 0.000 0.194 73 E C 0.805 177.411 176.600 0.010 0.000 0.996 73 E CA 0.802 57.246 56.400 0.073 0.000 0.840 73 E CB -0.179 29.570 29.700 0.081 0.000 0.772 73 E HN 0.401 nan 8.360 nan 0.000 0.491 74 Y N 0.345 120.671 120.300 0.044 0.000 2.458 74 Y HA 0.236 4.781 4.550 -0.008 0.000 0.256 74 Y C 0.552 176.489 175.900 0.061 0.000 1.159 74 Y CA -0.266 57.872 58.100 0.063 0.000 1.261 74 Y CB 0.491 39.018 38.460 0.113 0.000 1.119 74 Y HN -0.194 nan 8.280 nan 0.000 0.524 75 K N 2.495 122.997 120.400 0.170 0.000 2.121 75 K HA 0.103 4.416 4.320 -0.011 0.000 0.235 75 K C -0.192 176.408 176.600 0.000 0.000 1.200 75 K CA 0.120 56.459 56.287 0.086 0.000 1.115 75 K CB -0.492 32.049 32.500 0.070 0.000 1.474 75 K HN 0.253 nan 8.250 nan 0.000 0.295 76 T N -2.001 112.537 114.554 -0.027 0.000 2.864 76 T HA 0.287 4.630 4.350 -0.011 0.000 0.289 76 T C 1.138 175.785 174.700 -0.087 0.000 1.082 76 T CA -0.979 61.084 62.100 -0.062 0.000 1.009 76 T CB 0.863 69.691 68.868 -0.066 0.000 1.234 76 T HN 0.230 nan 8.240 nan 0.000 0.526 77 L N 0.681 121.853 121.223 -0.086 0.000 2.201 77 L HA -0.039 4.294 4.340 -0.011 0.000 0.212 77 L C 2.907 179.727 176.870 -0.083 0.000 1.105 77 L CA 0.963 55.750 54.840 -0.089 0.000 0.775 77 L CB -0.588 41.427 42.059 -0.073 0.000 0.913 77 L HN 0.741 nan 8.230 nan 0.000 0.440 78 S N -0.846 114.811 115.700 -0.072 0.000 2.368 78 S HA -0.174 4.289 4.470 -0.011 0.000 0.225 78 S C 2.019 176.582 174.600 -0.062 0.000 1.030 78 S CA 1.847 60.010 58.200 -0.061 0.000 0.999 78 S CB -0.195 62.971 63.200 -0.055 0.000 0.844 78 S HN 0.436 nan 8.310 nan 0.000 0.459 79 T N 1.779 116.291 114.554 -0.070 0.000 2.821 79 T HA -0.013 4.331 4.350 -0.011 0.000 0.267 79 T C 1.908 176.497 174.700 -0.186 0.000 1.046 79 T CA 0.901 62.941 62.100 -0.100 0.000 1.139 79 T CB -0.276 68.530 68.868 -0.104 0.000 0.871 79 T HN 0.158 nan 8.240 nan 0.000 0.454 80 V N 1.579 121.383 119.914 -0.183 0.000 2.295 80 V HA -0.195 3.919 4.120 -0.011 0.000 0.246 80 V C 2.791 178.804 176.094 -0.136 0.000 1.049 80 V CA 2.051 64.240 62.300 -0.184 0.000 1.024 80 V CB -1.142 30.589 31.823 -0.153 0.000 0.648 80 V HN 0.505 nan 8.190 nan 0.000 0.447 81 T N 0.298 114.789 114.554 -0.105 0.000 2.665 81 T HA -0.250 4.094 4.350 -0.011 0.000 0.268 81 T C 1.961 176.613 174.700 -0.079 0.000 1.035 81 T CA 1.836 63.884 62.100 -0.087 0.000 1.151 81 T CB -0.517 68.309 68.868 -0.070 0.000 0.862 81 T HN 0.479 nan 8.240 nan 0.000 0.438 82 N N 1.115 119.773 118.700 -0.071 0.000 2.104 82 N HA -0.066 4.668 4.740 -0.011 0.000 0.190 82 N C 1.905 177.381 175.510 -0.057 0.000 1.024 82 N CA 1.194 54.214 53.050 -0.050 0.000 0.853 82 N CB -0.345 38.127 38.487 -0.025 0.000 1.008 82 N HN 0.385 nan 8.380 nan 0.000 0.424 83 L N 0.750 121.919 121.223 -0.089 0.000 2.093 83 L HA -0.135 4.198 4.340 -0.011 0.000 0.208 83 L C 2.616 179.443 176.870 -0.073 0.000 1.085 83 L CA 0.977 55.766 54.840 -0.085 0.000 0.755 83 L CB -0.342 41.628 42.059 -0.149 0.000 0.904 83 L HN 0.222 nan 8.230 nan 0.000 0.435 84 Q N -0.477 119.269 119.800 -0.090 0.000 2.079 84 Q HA -0.189 4.145 4.340 -0.011 0.000 0.200 84 Q C 2.196 178.146 176.000 -0.083 0.000 0.974 84 Q CA 1.187 56.934 55.803 -0.094 0.000 0.840 84 Q CB 0.001 28.667 28.738 -0.119 0.000 0.898 84 Q HN 0.416 nan 8.270 nan 0.000 0.430 85 E N 0.768 120.924 120.200 -0.073 0.000 2.058 85 E HA -0.197 4.147 4.350 -0.011 0.000 0.194 85 E C 2.009 178.582 176.600 -0.045 0.000 0.997 85 E CA 1.171 57.535 56.400 -0.059 0.000 0.801 85 E CB -0.124 29.547 29.700 -0.048 0.000 0.746 85 E HN 0.318 nan 8.360 nan 0.000 0.450 86 R N 0.543 121.021 120.500 -0.038 0.000 2.092 86 R HA -0.044 4.290 4.340 -0.011 0.000 0.231 86 R C 2.411 178.689 176.300 -0.037 0.000 1.119 86 R CA 1.133 57.215 56.100 -0.031 0.000 0.970 86 R CB -0.346 29.944 30.300 -0.017 0.000 0.864 86 R HN 0.112 nan 8.270 nan 0.000 0.440 87 A N 1.414 124.215 122.820 -0.032 0.000 1.902 87 A HA -0.150 4.164 4.320 -0.011 0.000 0.217 87 A C 2.051 179.629 177.584 -0.010 0.000 1.181 87 A CA 1.212 53.239 52.037 -0.017 0.000 0.623 87 A CB -0.357 18.638 19.000 -0.008 0.000 0.818 87 A HN 0.090 nan 8.150 nan 0.000 0.443 88 I N -0.037 120.524 120.570 -0.016 0.000 2.252 88 I HA -0.210 3.954 4.170 -0.011 0.000 0.245 88 I C 2.903 179.018 176.117 -0.004 0.000 1.102 88 I CA 1.382 62.686 61.300 0.006 0.000 1.385 88 I CB -1.599 36.386 38.000 -0.025 0.000 1.064 88 I HN 0.363 nan 8.210 nan 0.000 0.414 89 A N 0.548 123.352 122.820 -0.027 0.000 2.019 89 A HA -0.122 4.191 4.320 -0.011 0.000 0.219 89 A C 2.216 179.765 177.584 -0.059 0.000 1.164 89 A CA 1.089 53.106 52.037 -0.034 0.000 0.644 89 A CB -0.746 18.232 19.000 -0.037 0.000 0.805 89 A HN 0.443 nan 8.150 nan 0.000 0.449 90 L N -1.124 120.044 121.223 -0.091 0.000 2.599 90 L HA 0.182 4.516 4.340 -0.011 0.000 0.230 90 L C 1.504 178.310 176.870 -0.106 0.000 1.141 90 L CA 0.494 55.222 54.840 -0.186 0.000 0.877 90 L CB -0.216 41.652 42.059 -0.318 0.000 1.009 90 L HN 0.583 nan 8.230 nan 0.000 0.447 91 G N 0.104 108.888 108.800 -0.027 0.000 2.132 91 G HA2 -0.238 3.716 3.960 -0.011 0.000 0.228 91 G HA3 -0.238 3.716 3.960 -0.011 0.000 0.228 91 G C 0.375 175.306 174.900 0.052 0.000 1.000 91 G CA -0.057 45.053 45.100 0.018 0.000 0.693 91 G HN 0.478 nan 8.290 nan 0.000 0.515 92 A N -0.058 122.806 122.820 0.075 0.000 2.498 92 A HA 0.607 4.921 4.320 -0.011 0.000 0.239 92 A C 0.621 178.321 177.584 0.193 0.000 1.068 92 A CA 1.152 53.263 52.037 0.124 0.000 0.766 92 A CB 0.208 19.291 19.000 0.139 0.000 1.003 92 A HN 1.830 nan 8.150 nan 0.000 0.497 93 N N 0.279 119.026 118.700 0.078 0.000 3.418 93 N HA 0.308 5.041 4.740 -0.011 0.000 0.316 93 N C 0.023 175.325 175.510 -0.346 0.000 1.601 93 N CA -0.870 52.044 53.050 -0.227 0.000 0.805 93 N CB 0.421 38.785 38.487 -0.205 0.000 1.873 93 N HN 0.365 nan 8.380 nan 0.000 0.615 94 R N -0.728 119.426 120.500 -0.577 0.000 2.328 94 R HA 0.139 4.472 4.340 -0.011 0.000 0.207 94 R C 0.689 176.943 176.300 -0.076 0.000 1.056 94 R CA 0.838 56.746 56.100 -0.321 0.000 1.016 94 R CB -0.196 29.908 30.300 -0.327 0.000 0.872 94 R HN 0.410 nan 8.270 nan 0.000 0.471 95 R N -0.671 119.799 120.500 -0.051 0.000 2.397 95 R HA 0.127 4.460 4.340 -0.011 0.000 0.241 95 R C 0.102 176.471 176.300 0.115 0.000 0.914 95 R CA 0.073 56.202 56.100 0.049 0.000 1.071 95 R CB 0.809 31.108 30.300 -0.001 0.000 1.116 95 R HN -0.031 nan 8.270 nan 0.000 0.524 96 T N 0.966 115.548 114.554 0.046 0.000 2.904 96 T HA 0.474 4.817 4.350 -0.011 0.000 0.290 96 T C -0.197 174.465 174.700 -0.062 0.000 1.018 96 T CA -0.226 61.868 62.100 -0.010 0.000 1.075 96 T CB 1.560 70.442 68.868 0.022 0.000 0.986 96 T HN 0.181 nan 8.240 nan 0.000 0.523 97 A N 2.960 125.620 122.820 -0.266 0.000 2.356 97 A HA 0.676 4.990 4.320 -0.011 0.000 0.310 97 A C -0.567 176.910 177.584 -0.180 0.000 1.075 97 A CA -0.751 51.047 52.037 -0.400 0.000 0.746 97 A CB 0.708 19.062 19.000 -1.075 0.000 1.221 97 A HN 0.677 nan 8.150 nan 0.000 0.443 98 I N 2.918 123.416 120.570 -0.121 0.000 2.371 98 I HA 0.249 4.413 4.170 -0.011 0.000 0.290 98 I C -0.295 175.754 176.117 -0.115 0.000 1.028 98 I CA -0.221 61.032 61.300 -0.077 0.000 1.345 98 I CB 1.016 38.987 38.000 -0.049 0.000 1.407 98 I HN 0.277 nan 8.210 nan 0.000 0.501 99 V N 6.424 126.260 119.914 -0.130 0.000 2.313 99 V HA 0.451 4.565 4.120 -0.011 0.000 0.278 99 V C 0.556 176.581 176.094 -0.114 0.000 1.017 99 V CA -0.827 61.347 62.300 -0.211 0.000 0.823 99 V CB 1.315 32.840 31.823 -0.497 0.000 1.010 99 V HN 0.839 nan 8.190 nan 0.000 0.443 100 A N 5.416 128.213 122.820 -0.039 0.000 2.343 100 A HA 0.652 4.965 4.320 -0.011 0.000 0.305 100 A C -0.265 177.363 177.584 0.072 0.000 1.308 100 A CA -0.281 51.794 52.037 0.063 0.000 0.949 100 A CB 0.289 19.400 19.000 0.184 0.000 1.148 100 A HN 0.681 nan 8.150 nan 0.000 0.545 101 V N 3.241 123.177 119.914 0.036 0.000 2.311 101 V HA 0.770 4.883 4.120 -0.011 0.000 0.275 101 V C 0.754 176.862 176.094 0.024 0.000 1.022 101 V CA 0.669 62.988 62.300 0.031 0.000 0.830 101 V CB 0.095 31.920 31.823 0.002 0.000 1.012 101 V HN 1.468 nan 8.190 nan 0.000 0.452 102 G N 3.386 112.204 108.800 0.029 0.000 2.368 102 G HA2 0.486 4.440 3.960 -0.011 0.000 0.269 102 G HA3 0.486 4.440 3.960 -0.011 0.000 0.269 102 G C -0.098 174.800 174.900 -0.002 0.000 1.291 102 G CA 0.012 45.114 45.100 0.004 0.000 0.903 102 G HN 0.875 nan 8.290 nan 0.000 0.483 103 G N -1.047 107.743 108.800 -0.016 0.000 2.582 103 G HA2 0.531 4.484 3.960 -0.011 0.000 0.232 103 G HA3 0.531 4.484 3.960 -0.011 0.000 0.232 103 G C 1.466 176.336 174.900 -0.050 0.000 1.458 103 G CA 0.705 45.788 45.100 -0.029 0.000 1.062 103 G HN 1.687 nan 8.290 nan 0.000 0.566 104 G N -0.670 108.092 108.800 -0.062 0.000 2.408 104 G HA2 -0.132 3.822 3.960 -0.011 0.000 0.217 104 G HA3 -0.132 3.822 3.960 -0.011 0.000 0.217 104 G C 1.770 176.642 174.900 -0.047 0.000 1.150 104 G CA 0.928 45.977 45.100 -0.085 0.000 0.776 104 G HN 0.404 nan 8.290 nan 0.000 0.542 105 L N 0.374 121.590 121.223 -0.011 0.000 2.046 105 L HA -0.070 4.263 4.340 -0.011 0.000 0.208 105 L C 2.950 179.891 176.870 0.119 0.000 1.077 105 L CA 2.054 56.919 54.840 0.042 0.000 0.747 105 L CB -0.429 41.663 42.059 0.055 0.000 0.896 105 L HN 0.189 nan 8.230 nan 0.000 0.432 106 T N -0.466 114.163 114.554 0.124 0.000 2.746 106 T HA -0.113 4.230 4.350 -0.011 0.000 0.267 106 T C 1.635 176.419 174.700 0.141 0.000 1.039 106 T CA 1.208 63.439 62.100 0.218 0.000 1.142 106 T CB -0.694 68.249 68.868 0.125 0.000 0.866 106 T HN 0.651 nan 8.240 nan 0.000 0.444 107 G N 1.375 110.210 108.800 0.059 0.000 2.476 107 G HA2 -0.289 3.664 3.960 -0.011 0.000 0.218 107 G HA3 -0.289 3.664 3.960 -0.011 0.000 0.218 107 G C 1.559 176.501 174.900 0.070 0.000 1.164 107 G CA 1.227 46.359 45.100 0.054 0.000 0.768 107 G HN 0.484 nan 8.290 nan 0.000 0.560 108 N N -0.282 118.415 118.700 -0.006 0.000 2.142 108 N HA -0.059 4.674 4.740 -0.011 0.000 0.186 108 N C 2.242 177.707 175.510 -0.076 0.000 1.023 108 N CA 1.184 54.200 53.050 -0.056 0.000 0.852 108 N CB -0.134 38.300 38.487 -0.087 0.000 0.998 108 N HN 0.189 nan 8.380 nan 0.000 0.424 109 V N 0.885 120.766 119.914 -0.054 0.000 2.295 109 V HA -0.191 3.922 4.120 -0.011 0.000 0.246 109 V C 2.225 178.235 176.094 -0.140 0.000 1.049 109 V CA 1.932 64.144 62.300 -0.148 0.000 1.024 109 V CB -0.946 30.715 31.823 -0.271 0.000 0.648 109 V HN 0.370 nan 8.190 nan 0.000 0.447 110 A N 0.365 123.152 122.820 -0.054 0.000 2.015 110 A HA -0.019 4.294 4.320 -0.011 0.000 0.219 110 A C 2.358 179.929 177.584 -0.022 0.000 1.163 110 A CA 1.702 53.720 52.037 -0.033 0.000 0.646 110 A CB -0.991 18.027 19.000 0.030 0.000 0.806 110 A HN 0.533 nan 8.150 nan 0.000 0.448 111 G N -0.660 108.145 108.800 0.009 0.000 2.402 111 G HA2 -0.053 3.901 3.960 -0.011 0.000 0.216 111 G HA3 -0.053 3.901 3.960 -0.011 0.000 0.216 111 G C 1.461 176.354 174.900 -0.013 0.000 1.162 111 G CA 1.160 46.285 45.100 0.042 0.000 0.777 111 G HN 0.293 nan 8.290 nan 0.000 0.539 112 V N 1.414 121.257 119.914 -0.119 0.000 2.453 112 V HA -0.049 4.064 4.120 -0.011 0.000 0.247 112 V C 3.279 179.362 176.094 -0.018 0.000 1.048 112 V CA 1.809 64.016 62.300 -0.155 0.000 1.049 112 V CB -0.605 31.040 31.823 -0.297 0.000 0.672 112 V HN 0.460 nan 8.190 nan 0.000 0.457 113 A N 0.261 123.032 122.820 -0.081 0.000 1.858 113 A HA -0.145 4.168 4.320 -0.011 0.000 0.216 113 A C 2.433 179.967 177.584 -0.084 0.000 1.190 113 A CA 2.204 54.189 52.037 -0.087 0.000 0.617 113 A CB -0.880 18.055 19.000 -0.108 0.000 0.827 113 A HN 0.557 nan 8.150 nan 0.000 0.443 114 A N -0.652 122.121 122.820 -0.079 0.000 1.933 114 A HA 0.135 4.448 4.320 -0.011 0.000 0.218 114 A C 2.374 179.793 177.584 -0.276 0.000 1.175 114 A CA 1.871 53.860 52.037 -0.080 0.000 0.628 114 A CB -1.318 17.693 19.000 0.018 0.000 0.814 114 A HN 0.782 nan 8.150 nan 0.000 0.444 115 G N -1.022 107.464 108.800 -0.523 0.000 2.443 115 G HA2 -0.103 3.850 3.960 -0.011 0.000 0.219 115 G HA3 -0.103 3.850 3.960 -0.011 0.000 0.219 115 G C 1.517 176.095 174.900 -0.536 0.000 1.131 115 G CA 1.082 45.560 45.100 -1.036 0.000 0.775 115 G HN 0.500 nan 8.290 nan 0.000 0.547 116 M N -0.269 119.191 119.600 -0.233 0.000 2.534 116 M HA 0.327 4.801 4.480 -0.011 0.000 0.263 116 M C 0.841 177.042 176.300 -0.165 0.000 1.152 116 M CA 0.125 55.318 55.300 -0.179 0.000 1.145 116 M CB 0.187 32.746 32.600 -0.069 0.000 1.333 116 M HN 0.034 nan 8.290 nan 0.000 0.477 117 M N 1.523 121.030 119.600 -0.154 0.000 2.356 117 M HA -0.009 4.464 4.480 -0.011 0.000 0.348 117 M C -0.479 175.785 176.300 -0.060 0.000 1.595 117 M CA 0.723 55.892 55.300 -0.218 0.000 1.095 117 M CB -0.406 32.120 32.600 -0.124 0.000 1.963 117 M HN 0.248 nan 8.290 nan 0.000 0.459 118 F N 1.274 121.197 119.950 -0.044 0.000 3.084 118 F HA -0.344 4.178 4.527 -0.008 0.000 0.286 118 F C 0.818 176.595 175.800 -0.039 0.000 0.855 118 F CA 0.626 58.608 58.000 -0.030 0.000 1.091 118 F CB -1.849 37.144 39.000 -0.012 0.000 1.177 118 F HN 0.780 nan 8.300 nan 0.000 0.542 119 R N -1.846 118.667 120.500 0.022 0.000 3.776 119 R HA -0.085 4.249 4.340 -0.011 0.000 0.312 119 R C 0.563 176.848 176.300 -0.025 0.000 1.181 119 R CA 0.772 56.851 56.100 -0.035 0.000 0.836 119 R CB -2.017 28.279 30.300 -0.007 0.000 1.324 119 R HN 1.460 nan 8.270 nan 0.000 0.501 120 G N 0.518 109.316 108.800 -0.004 0.000 2.951 120 G HA2 0.161 4.114 3.960 -0.011 0.000 0.508 120 G HA3 0.161 4.114 3.960 -0.011 0.000 0.508 120 G C -0.311 174.706 174.900 0.194 0.000 1.203 120 G CA -0.395 44.733 45.100 0.047 0.000 1.209 120 G HN 0.340 nan 8.290 nan 0.000 0.552 121 I N 0.039 120.729 120.570 0.200 0.000 3.067 121 I HA 0.949 5.113 4.170 -0.011 0.000 0.312 121 I C 0.725 176.991 176.117 0.248 0.000 1.073 121 I CA -1.462 59.968 61.300 0.216 0.000 1.016 121 I CB 2.112 40.224 38.000 0.186 0.000 1.227 121 I HN 1.063 nan 8.210 nan 0.000 0.456 122 A N 3.673 126.608 122.820 0.191 0.000 2.546 122 A HA 0.334 4.647 4.320 -0.011 0.000 0.243 122 A C -0.359 177.240 177.584 0.025 0.000 1.063 122 A CA 0.014 52.130 52.037 0.132 0.000 0.757 122 A CB -0.026 19.074 19.000 0.167 0.000 0.991 122 A HN 0.700 nan 8.150 nan 0.000 0.503 123 L N 4.097 125.324 121.223 0.008 0.000 2.322 123 L HA 0.612 4.945 4.340 -0.011 0.000 0.281 123 L C -0.958 175.793 176.870 -0.199 0.000 1.014 123 L CA -0.536 54.240 54.840 -0.107 0.000 0.815 123 L CB 1.082 43.078 42.059 -0.105 0.000 1.247 123 L HN 0.662 nan 8.230 nan 0.000 0.421 124 I N 3.853 124.305 120.570 -0.196 0.000 2.447 124 I HA 0.275 4.439 4.170 -0.011 0.000 0.287 124 I C -0.760 175.287 176.117 -0.117 0.000 1.023 124 I CA -0.569 60.690 61.300 -0.069 0.000 1.083 124 I CB 1.746 39.807 38.000 0.101 0.000 1.245 124 I HN 0.603 nan 8.210 nan 0.000 0.434 125 H N 4.926 123.989 119.070 -0.011 0.000 2.489 125 H HA 0.435 4.984 4.556 -0.011 0.000 0.322 125 H C -0.591 174.776 175.328 0.064 0.000 1.091 125 H CA -0.613 55.410 56.048 -0.041 0.000 1.291 125 H CB 1.850 31.511 29.762 -0.168 0.000 1.436 125 H HN 0.218 nan 8.280 nan 0.000 0.480 126 V N 6.072 126.112 119.914 0.211 0.000 2.313 126 V HA 0.175 4.288 4.120 -0.011 0.000 0.262 126 V C -2.376 173.799 176.094 0.135 0.000 1.011 126 V CA -1.737 60.690 62.300 0.211 0.000 0.858 126 V CB 0.395 32.331 31.823 0.189 0.000 1.104 126 V HN 0.669 nan 8.190 nan 0.000 0.456 127 P HA 0.119 nan 4.420 nan 0.000 0.263 127 P C 1.029 178.381 177.300 0.086 0.000 1.195 127 P CA 0.386 63.511 63.100 0.043 0.000 0.762 127 P CB 0.616 32.318 31.700 0.004 0.000 0.799 128 T N -1.440 113.152 114.554 0.062 0.000 3.054 128 T HA 0.129 4.472 4.350 -0.011 0.000 0.255 128 T C 0.594 175.341 174.700 0.078 0.000 1.035 128 T CA 0.068 62.213 62.100 0.074 0.000 0.941 128 T CB -0.427 68.472 68.868 0.052 0.000 1.026 128 T HN 0.463 nan 8.240 nan 0.000 0.533 129 T N -1.575 113.021 114.554 0.070 0.000 2.912 129 T HA 0.590 4.934 4.350 -0.011 0.000 0.288 129 T C 0.301 175.081 174.700 0.135 0.000 1.030 129 T CA -0.945 61.212 62.100 0.095 0.000 1.020 129 T CB 1.486 70.386 68.868 0.055 0.000 1.056 129 T HN -0.071 nan 8.240 nan 0.000 0.480 130 F N 1.363 121.334 119.950 0.035 0.000 2.234 130 F HA 0.101 4.621 4.527 -0.010 0.000 0.299 130 F C 1.727 177.542 175.800 0.025 0.000 1.087 130 F CA 0.692 58.715 58.000 0.038 0.000 1.340 130 F CB -0.432 38.594 39.000 0.044 0.000 1.031 130 F HN 0.551 nan 8.300 nan 0.000 0.500 131 L N 0.659 121.840 121.223 -0.071 0.000 2.027 131 L HA 0.019 4.353 4.340 -0.011 0.000 0.206 131 L C 2.404 179.169 176.870 -0.175 0.000 1.074 131 L CA 2.150 56.904 54.840 -0.144 0.000 0.745 131 L CB -1.389 40.660 42.059 -0.017 0.000 0.898 131 L HN 0.084 nan 8.230 nan 0.000 0.433 132 A N -0.492 122.255 122.820 -0.121 0.000 1.898 132 A HA -0.018 4.295 4.320 -0.011 0.000 0.216 132 A C 2.397 179.887 177.584 -0.156 0.000 1.181 132 A CA 1.608 53.560 52.037 -0.141 0.000 0.620 132 A CB -1.106 17.824 19.000 -0.116 0.000 0.819 132 A HN 0.563 nan 8.150 nan 0.000 0.442 133 A N -0.134 122.614 122.820 -0.120 0.000 2.014 133 A HA 0.044 4.357 4.320 -0.011 0.000 0.218 133 A C 2.252 179.786 177.584 -0.083 0.000 1.163 133 A CA 1.946 53.961 52.037 -0.037 0.000 0.652 133 A CB -0.497 18.554 19.000 0.084 0.000 0.808 133 A HN 0.976 nan 8.150 nan 0.000 0.449 134 S N -2.469 113.030 115.700 -0.334 0.000 2.539 134 S HA 0.187 4.651 4.470 -0.011 0.000 0.221 134 S C 0.814 175.262 174.600 -0.253 0.000 0.987 134 S CA 0.644 58.620 58.200 -0.373 0.000 0.929 134 S CB 0.274 62.994 63.200 -0.801 0.000 0.832 134 S HN 0.444 nan 8.310 nan 0.000 0.492 135 D N 1.609 121.884 120.400 -0.208 0.000 2.971 135 D HA 0.067 4.700 4.640 -0.011 0.000 0.221 135 D C 1.880 178.105 176.300 -0.125 0.000 1.406 135 D CA 1.252 55.162 54.000 -0.149 0.000 1.328 135 D CB -0.213 40.519 40.800 -0.113 0.000 1.369 135 D HN 0.279 nan 8.370 nan 0.000 0.364 136 S N 0.032 115.649 115.700 -0.137 0.000 2.419 136 S HA -0.084 4.379 4.470 -0.011 0.000 0.233 136 S C 2.018 176.510 174.600 -0.180 0.000 1.016 136 S CA 1.127 59.237 58.200 -0.150 0.000 0.974 136 S CB -0.476 62.623 63.200 -0.169 0.000 0.786 136 S HN 0.136 nan 8.310 nan 0.000 0.492 137 V N 0.981 120.773 119.914 -0.202 0.000 3.217 137 V HA 0.234 4.347 4.120 -0.011 0.000 0.264 137 V C 1.172 177.240 176.094 -0.043 0.000 1.135 137 V CA 0.959 63.115 62.300 -0.240 0.000 1.142 137 V CB -0.485 31.140 31.823 -0.329 0.000 0.754 137 V HN 0.530 nan 8.190 nan 0.000 0.484 138 L N 0.175 121.410 121.223 0.021 0.000 3.064 138 L HA 0.391 4.724 4.340 -0.011 0.000 0.233 138 L C 0.146 177.133 176.870 0.195 0.000 1.333 138 L CA 0.245 55.189 54.840 0.174 0.000 1.140 138 L CB 0.284 42.371 42.059 0.046 0.000 1.519 138 L HN 0.190 nan 8.230 nan 0.000 0.493 139 S N 0.369 116.128 115.700 0.099 0.000 2.548 139 S HA 0.400 4.863 4.470 -0.011 0.000 0.278 139 S C 0.119 174.597 174.600 -0.205 0.000 1.150 139 S CA -0.697 57.500 58.200 -0.005 0.000 0.907 139 S CB 1.334 64.515 63.200 -0.031 0.000 1.108 139 S HN 0.360 nan 8.310 nan 0.000 0.459 140 I N 0.681 121.058 120.570 -0.321 0.000 3.891 140 I HA 0.481 4.644 4.170 -0.011 0.000 0.331 140 I C 0.159 176.248 176.117 -0.046 0.000 1.406 140 I CA -0.575 60.571 61.300 -0.258 0.000 1.139 140 I CB -0.173 37.582 38.000 -0.408 0.000 1.056 140 I HN 0.243 nan 8.210 nan 0.000 0.399 141 K N 2.506 122.854 120.400 -0.088 0.000 2.298 141 K HA 0.347 4.660 4.320 -0.011 0.000 0.280 141 K C -0.279 176.203 176.600 -0.197 0.000 1.032 141 K CA -0.271 55.878 56.287 -0.230 0.000 0.958 141 K CB 0.747 33.109 32.500 -0.229 0.000 0.978 141 K HN 0.226 nan 8.250 nan 0.000 0.472 142 Q N 0.815 120.450 119.800 -0.275 0.000 2.394 142 Q HA 0.743 5.077 4.340 -0.011 0.000 0.273 142 Q C -1.199 174.555 176.000 -0.411 0.000 1.089 142 Q CA -0.873 54.750 55.803 -0.299 0.000 0.812 142 Q CB 2.470 31.001 28.738 -0.345 0.000 1.353 142 Q HN 0.746 nan 8.270 nan 0.000 0.438 143 A N 0.490 123.111 122.820 -0.332 0.000 2.581 143 A HA 0.688 5.002 4.320 -0.011 0.000 0.294 143 A C -1.223 176.234 177.584 -0.211 0.000 1.035 143 A CA -0.398 51.459 52.037 -0.301 0.000 0.684 143 A CB 0.832 19.687 19.000 -0.242 0.000 1.282 143 A HN 0.616 nan 8.150 nan 0.000 0.417 144 V N -0.707 119.097 119.914 -0.185 0.000 3.141 144 V HA 0.780 4.893 4.120 -0.011 0.000 0.312 144 V C -0.503 175.534 176.094 -0.094 0.000 1.157 144 V CA -1.328 60.897 62.300 -0.124 0.000 1.041 144 V CB 1.963 33.710 31.823 -0.128 0.000 1.071 144 V HN 0.851 nan 8.190 nan 0.000 0.441 145 N N 0.888 119.551 118.700 -0.061 0.000 2.463 145 N HA 0.677 5.410 4.740 -0.011 0.000 0.270 145 N C -0.834 174.648 175.510 -0.048 0.000 1.205 145 N CA -0.371 52.653 53.050 -0.044 0.000 0.974 145 N CB 1.466 39.940 38.487 -0.021 0.000 1.197 145 N HN 0.703 nan 8.380 nan 0.000 0.504 146 L N -0.074 121.126 121.223 -0.038 0.000 2.341 146 L HA 0.275 4.608 4.340 -0.011 0.000 0.267 146 L C 1.556 178.407 176.870 -0.032 0.000 1.009 146 L CA -0.605 54.212 54.840 -0.038 0.000 0.819 146 L CB 1.887 43.926 42.059 -0.035 0.000 1.323 146 L HN 0.508 nan 8.230 nan 0.000 0.425 147 T N -0.264 114.269 114.554 -0.036 0.000 2.721 147 T HA -0.163 4.181 4.350 -0.011 0.000 0.268 147 T C 1.509 176.195 174.700 -0.023 0.000 1.038 147 T CA 2.229 64.309 62.100 -0.033 0.000 1.145 147 T CB -0.044 68.802 68.868 -0.037 0.000 0.858 147 T HN 0.761 nan 8.240 nan 0.000 0.459 148 S N -0.296 115.391 115.700 -0.022 0.000 2.631 148 S HA 0.489 4.952 4.470 -0.011 0.000 0.217 148 S C 0.693 175.288 174.600 -0.008 0.000 0.958 148 S CA -0.015 58.174 58.200 -0.018 0.000 0.920 148 S CB 0.457 63.644 63.200 -0.022 0.000 0.776 148 S HN 0.640 nan 8.310 nan 0.000 0.517 149 G N 0.517 109.316 108.800 -0.001 0.000 2.404 149 G HA2 0.331 4.284 3.960 -0.011 0.000 0.298 149 G HA3 0.331 4.284 3.960 -0.011 0.000 0.298 149 G C -1.737 173.174 174.900 0.017 0.000 1.577 149 G CA -1.104 44.007 45.100 0.018 0.000 0.847 149 G HN 0.235 nan 8.290 nan 0.000 0.598 150 K N 0.986 121.414 120.400 0.048 0.000 2.298 150 K HA 0.263 4.577 4.320 -0.011 0.000 0.280 150 K C 0.620 177.221 176.600 0.002 0.000 1.032 150 K CA -0.171 56.140 56.287 0.039 0.000 0.958 150 K CB 0.139 32.698 32.500 0.098 0.000 0.978 150 K HN 0.534 nan 8.250 nan 0.000 0.472 151 N N 3.174 121.853 118.700 -0.035 0.000 2.716 151 N HA -0.227 4.507 4.740 -0.011 0.000 0.250 151 N C 0.286 175.747 175.510 -0.081 0.000 1.033 151 N CA 0.707 53.711 53.050 -0.077 0.000 0.727 151 N CB -1.095 37.337 38.487 -0.092 0.000 0.950 151 N HN 0.638 nan 8.380 nan 0.000 0.541 152 L N -0.782 120.403 121.223 -0.062 0.000 2.509 152 L HA 0.061 4.394 4.340 -0.011 0.000 0.222 152 L C 0.926 177.754 176.870 -0.069 0.000 1.123 152 L CA 0.441 55.248 54.840 -0.054 0.000 0.856 152 L CB 0.219 42.258 42.059 -0.033 0.000 0.985 152 L HN 0.183 nan 8.230 nan 0.000 0.456 153 V N -2.618 117.239 119.914 -0.096 0.000 2.531 153 V HA 0.999 5.112 4.120 -0.011 0.000 0.301 153 V C -0.106 175.867 176.094 -0.201 0.000 1.034 153 V CA -0.214 62.019 62.300 -0.111 0.000 0.865 153 V CB 1.062 32.832 31.823 -0.088 0.000 0.995 153 V HN 0.125 nan 8.190 nan 0.000 0.424 154 G N 3.346 112.005 108.800 -0.234 0.000 2.356 154 G HA2 0.766 4.719 3.960 -0.011 0.000 0.281 154 G HA3 0.766 4.719 3.960 -0.011 0.000 0.281 154 G C -1.433 173.248 174.900 -0.365 0.000 1.246 154 G CA 0.132 44.928 45.100 -0.506 0.000 0.889 154 G HN 1.893 nan 8.290 nan 0.000 0.486 155 F N -2.875 116.982 119.950 -0.155 0.000 3.332 155 F HA 0.722 5.241 4.527 -0.014 0.000 0.327 155 F C -2.119 173.569 175.800 -0.187 0.000 1.128 155 F CA -2.356 55.577 58.000 -0.112 0.000 0.854 155 F CB 0.443 39.452 39.000 0.014 0.000 1.500 155 F HN 0.512 nan 8.300 nan 0.000 0.485 156 Y N 0.625 121.210 120.300 0.474 0.000 2.328 156 Y HA 0.625 5.168 4.550 -0.011 0.000 0.337 156 Y C -1.068 175.094 175.900 0.437 0.000 1.008 156 Y CA -0.927 57.388 58.100 0.358 0.000 1.129 156 Y CB 1.438 40.117 38.460 0.364 0.000 1.185 156 Y HN 0.642 nan 8.280 nan 0.000 0.476 157 Y N 5.527 125.986 120.300 0.265 0.000 2.323 157 Y HA 0.386 4.931 4.550 -0.009 0.000 0.322 157 Y C -2.934 172.971 175.900 0.009 0.000 1.133 157 Y CA -2.345 55.848 58.100 0.155 0.000 1.093 157 Y CB 2.120 40.730 38.460 0.250 0.000 1.203 157 Y HN 0.399 nan 8.280 nan 0.000 0.427 158 P HA 0.339 nan 4.420 nan 0.000 0.281 158 P C -2.945 174.047 177.300 -0.513 0.000 1.249 158 P CA -1.617 61.248 63.100 -0.392 0.000 0.810 158 P CB 1.705 33.261 31.700 -0.239 0.000 1.008 159 P HA 0.394 nan 4.420 nan 0.000 0.280 159 P C 0.290 177.298 177.300 -0.488 0.000 1.272 159 P CA -0.517 62.239 63.100 -0.573 0.000 0.819 159 P CB 1.896 33.144 31.700 -0.754 0.000 1.122 160 R N -0.745 119.578 120.500 -0.295 0.000 2.282 160 R HA 0.315 4.648 4.340 -0.011 0.000 0.195 160 R C -0.100 175.914 176.300 -0.475 0.000 0.909 160 R CA 0.565 56.524 56.100 -0.234 0.000 1.039 160 R CB 0.219 30.523 30.300 0.007 0.000 1.015 160 R HN 0.455 nan 8.270 nan 0.000 0.513 161 F N -0.956 118.957 119.950 -0.062 0.000 2.665 161 F HA 0.364 4.884 4.527 -0.011 0.000 0.308 161 F C -0.903 174.751 175.800 -0.244 0.000 1.112 161 F CA -1.060 56.904 58.000 -0.061 0.000 0.972 161 F CB 2.115 41.200 39.000 0.142 0.000 1.295 161 F HN -0.456 nan 8.300 nan 0.000 0.440 162 V N 2.641 122.435 119.914 -0.200 0.000 2.668 162 V HA 0.491 4.605 4.120 -0.011 0.000 0.304 162 V C -1.400 174.481 176.094 -0.355 0.000 1.071 162 V CA -0.927 61.204 62.300 -0.282 0.000 0.894 162 V CB 2.022 33.474 31.823 -0.620 0.000 1.008 162 V HN 0.529 nan 8.190 nan 0.000 0.425 163 F N 2.957 123.000 119.950 0.155 0.000 2.499 163 F HA 0.798 5.319 4.527 -0.011 0.000 0.333 163 F C 0.362 176.313 175.800 0.253 0.000 1.138 163 F CA -0.617 57.510 58.000 0.212 0.000 0.945 163 F CB 2.055 41.126 39.000 0.118 0.000 1.181 163 F HN 0.540 nan 8.300 nan 0.000 0.435 164 A N 2.503 125.645 122.820 0.537 0.000 2.291 164 A HA 0.432 4.745 4.320 -0.011 0.000 0.311 164 A C -0.991 176.797 177.584 0.341 0.000 1.224 164 A CA -0.624 51.675 52.037 0.436 0.000 0.821 164 A CB 0.567 19.894 19.000 0.545 0.000 1.172 164 A HN 0.622 nan 8.150 nan 0.000 0.494 165 D N 3.247 123.796 120.400 0.248 0.000 2.339 165 D HA 0.142 4.776 4.640 -0.011 0.000 0.241 165 D C 1.470 177.843 176.300 0.123 0.000 1.183 165 D CA 0.544 54.642 54.000 0.163 0.000 0.859 165 D CB 1.167 42.059 40.800 0.152 0.000 1.067 165 D HN 0.563 nan 8.370 nan 0.000 0.484 166 T N 1.974 116.586 114.554 0.095 0.000 2.995 166 T HA -0.149 4.194 4.350 -0.011 0.000 0.269 166 T C 1.760 176.465 174.700 0.009 0.000 1.091 166 T CA 0.478 62.624 62.100 0.078 0.000 1.128 166 T CB 0.204 69.117 68.868 0.074 0.000 0.891 166 T HN 0.203 nan 8.240 nan 0.000 0.492 167 R N 1.425 121.888 120.500 -0.062 0.000 2.066 167 R HA 0.229 4.563 4.340 -0.011 0.000 0.232 167 R C 2.241 178.518 176.300 -0.039 0.000 1.131 167 R CA 1.216 57.258 56.100 -0.097 0.000 0.955 167 R CB -0.961 29.200 30.300 -0.232 0.000 0.851 167 R HN 0.528 nan 8.270 nan 0.000 0.432 168 I N 0.273 120.833 120.570 -0.017 0.000 2.226 168 I HA -0.276 3.888 4.170 -0.011 0.000 0.245 168 I C 2.006 178.148 176.117 0.041 0.000 1.100 168 I CA 1.160 62.466 61.300 0.009 0.000 1.374 168 I CB -0.266 37.756 38.000 0.036 0.000 1.057 168 I HN 0.158 nan 8.210 nan 0.000 0.413 169 L N 0.437 121.704 121.223 0.073 0.000 2.046 169 L HA -0.195 4.139 4.340 -0.011 0.000 0.208 169 L C 2.734 179.643 176.870 0.065 0.000 1.077 169 L CA 1.736 56.640 54.840 0.107 0.000 0.747 169 L CB -0.740 41.426 42.059 0.177 0.000 0.896 169 L HN 0.381 nan 8.230 nan 0.000 0.432 170 S N -0.873 114.847 115.700 0.035 0.000 2.507 170 S HA -0.130 4.334 4.470 -0.011 0.000 0.235 170 S C 1.332 175.938 174.600 0.010 0.000 0.988 170 S CA 0.774 58.985 58.200 0.017 0.000 0.944 170 S CB -0.230 62.971 63.200 0.002 0.000 0.762 170 S HN 0.541 nan 8.310 nan 0.000 0.526 171 E N 1.673 121.879 120.200 0.011 0.000 2.501 171 E HA 0.145 4.489 4.350 -0.011 0.000 0.201 171 E C 0.115 176.723 176.600 0.012 0.000 1.016 171 E CA -0.042 56.360 56.400 0.004 0.000 0.920 171 E CB 0.726 30.423 29.700 -0.005 0.000 1.023 171 E HN 0.681 nan 8.360 nan 0.000 0.474 172 S N 1.918 117.634 115.700 0.028 0.000 2.603 172 S HA 0.280 4.744 4.470 -0.011 0.000 0.268 172 S C -2.075 172.542 174.600 0.027 0.000 1.317 172 S CA -1.455 56.766 58.200 0.035 0.000 1.012 172 S CB 0.475 63.713 63.200 0.063 0.000 0.926 172 S HN -0.114 nan 8.310 nan 0.000 0.539 173 P HA 0.177 nan 4.420 nan 0.000 0.266 173 P C -2.132 175.181 177.300 0.021 0.000 1.195 173 P CA -1.104 62.006 63.100 0.016 0.000 0.768 173 P CB -0.263 31.445 31.700 0.013 0.000 0.838 174 P HA -0.161 nan 4.420 nan 0.000 0.215 174 P C 1.783 179.095 177.300 0.020 0.000 1.163 174 P CA 1.676 64.778 63.100 0.004 0.000 0.894 174 P CB -0.106 31.583 31.700 -0.019 0.000 0.791 175 R N -0.137 120.373 120.500 0.016 0.000 2.105 175 R HA -0.209 4.125 4.340 -0.011 0.000 0.239 175 R C 2.450 178.774 176.300 0.041 0.000 1.135 175 R CA 1.691 57.804 56.100 0.021 0.000 0.967 175 R CB -0.505 29.802 30.300 0.011 0.000 0.861 175 R HN 0.209 nan 8.270 nan 0.000 0.442 176 Q N -0.119 119.710 119.800 0.049 0.000 2.167 176 Q HA -0.101 4.233 4.340 -0.011 0.000 0.202 176 Q C 1.826 177.898 176.000 0.120 0.000 0.970 176 Q CA 1.414 57.260 55.803 0.071 0.000 0.855 176 Q CB 0.238 29.013 28.738 0.061 0.000 0.911 176 Q HN 0.259 nan 8.270 nan 0.000 0.438 177 V N 1.235 121.217 119.914 0.114 0.000 2.358 177 V HA -0.243 3.870 4.120 -0.011 0.000 0.246 177 V C 2.350 178.544 176.094 0.166 0.000 1.047 177 V CA 2.077 64.465 62.300 0.146 0.000 1.035 177 V CB -0.571 31.283 31.823 0.052 0.000 0.658 177 V HN 0.380 nan 8.190 nan 0.000 0.452 178 K N 0.668 121.129 120.400 0.101 0.000 2.103 178 K HA -0.198 4.115 4.320 -0.011 0.000 0.207 178 K C 2.118 178.772 176.600 0.090 0.000 1.048 178 K CA 1.632 57.967 56.287 0.079 0.000 0.930 178 K CB -0.394 32.129 32.500 0.039 0.000 0.716 178 K HN 0.421 nan 8.250 nan 0.000 0.444 179 A N 0.447 123.326 122.820 0.097 0.000 1.940 179 A HA -0.085 4.229 4.320 -0.011 0.000 0.219 179 A C 2.331 179.984 177.584 0.115 0.000 1.176 179 A CA 1.907 53.996 52.037 0.086 0.000 0.631 179 A CB -1.118 17.934 19.000 0.086 0.000 0.814 179 A HN 0.562 nan 8.150 nan 0.000 0.446 180 G N -1.455 107.464 108.800 0.198 0.000 2.408 180 G HA2 -0.070 3.884 3.960 -0.011 0.000 0.215 180 G HA3 -0.070 3.884 3.960 -0.011 0.000 0.215 180 G C 1.440 176.468 174.900 0.212 0.000 1.156 180 G CA 0.912 46.108 45.100 0.161 0.000 0.793 180 G HN 0.315 nan 8.290 nan 0.000 0.535 181 M N 0.538 120.305 119.600 0.279 0.000 2.279 181 M HA -0.012 4.461 4.480 -0.011 0.000 0.264 181 M C 2.593 178.913 176.300 0.034 0.000 1.062 181 M CA 0.429 55.793 55.300 0.108 0.000 1.099 181 M CB -1.326 31.272 32.600 -0.003 0.000 1.394 181 M HN 0.265 nan 8.290 nan 0.000 0.426 182 C N 0.580 119.905 119.300 0.042 0.000 2.425 182 C HA -0.121 4.333 4.460 -0.011 0.000 0.277 182 C C 2.601 177.615 174.990 0.041 0.000 1.280 182 C CA 0.725 59.751 59.018 0.013 0.000 1.744 182 C CB -0.775 26.956 27.740 -0.015 0.000 1.989 182 C HN 0.522 nan 8.230 nan 0.000 0.491 183 E N 0.367 120.608 120.200 0.068 0.000 2.152 183 E HA -0.110 4.234 4.350 -0.011 0.000 0.192 183 E C 2.045 178.717 176.600 0.119 0.000 0.983 183 E CA 0.565 57.029 56.400 0.108 0.000 0.818 183 E CB -0.496 29.262 29.700 0.096 0.000 0.758 183 E HN 0.693 nan 8.360 nan 0.000 0.467 184 L N 0.638 121.919 121.223 0.097 0.000 2.056 184 L HA -0.132 4.201 4.340 -0.011 0.000 0.207 184 L C 2.297 179.282 176.870 0.191 0.000 1.078 184 L CA 0.843 55.783 54.840 0.166 0.000 0.749 184 L CB -0.076 42.022 42.059 0.065 0.000 0.901 184 L HN -0.104 nan 8.230 nan 0.000 0.433 185 V N 0.436 120.397 119.914 0.078 0.000 2.490 185 V HA -0.312 3.802 4.120 -0.011 0.000 0.250 185 V C 2.610 178.760 176.094 0.094 0.000 1.061 185 V CA 2.110 64.441 62.300 0.051 0.000 1.064 185 V CB -0.715 31.101 31.823 -0.011 0.000 0.670 185 V HN 0.512 nan 8.190 nan 0.000 0.461 186 K N 0.370 120.846 120.400 0.127 0.000 2.057 186 K HA -0.226 4.087 4.320 -0.011 0.000 0.207 186 K C 1.952 178.664 176.600 0.187 0.000 1.049 186 K CA 1.847 58.242 56.287 0.180 0.000 0.931 186 K CB -0.185 32.451 32.500 0.227 0.000 0.714 186 K HN 0.447 nan 8.250 nan 0.000 0.440 187 N N 0.771 119.607 118.700 0.227 0.000 2.223 187 N HA -0.128 4.606 4.740 -0.011 0.000 0.185 187 N C 1.769 177.440 175.510 0.268 0.000 1.016 187 N CA 1.384 54.581 53.050 0.244 0.000 0.863 187 N CB -0.160 38.462 38.487 0.224 0.000 0.983 187 N HN 0.341 nan 8.380 nan 0.000 0.429 188 M N -0.394 119.381 119.600 0.292 0.000 2.229 188 M HA -0.055 4.419 4.480 -0.011 0.000 0.264 188 M C 1.283 177.632 176.300 0.082 0.000 1.063 188 M CA 0.884 56.308 55.300 0.207 0.000 1.114 188 M CB -0.056 32.605 32.600 0.102 0.000 1.387 188 M HN 0.019 nan 8.290 nan 0.000 0.420 189 L N 0.419 121.662 121.223 0.034 0.000 2.179 189 L HA -0.023 4.311 4.340 -0.011 0.000 0.208 189 L C 2.205 179.016 176.870 -0.098 0.000 1.096 189 L CA 1.485 56.290 54.840 -0.059 0.000 0.779 189 L CB -0.601 41.381 42.059 -0.129 0.000 0.922 189 L HN 0.338 nan 8.230 nan 0.000 0.443 190 I N -4.445 116.067 120.570 -0.098 0.000 3.228 190 I HA 0.071 4.235 4.170 -0.011 0.000 0.279 190 I C 0.507 176.551 176.117 -0.121 0.000 1.221 190 I CA 0.246 61.433 61.300 -0.189 0.000 1.458 190 I CB 0.152 38.006 38.000 -0.244 0.000 1.105 190 I HN -0.150 nan 8.210 nan 0.000 0.445 191 L N 2.388 123.588 121.223 -0.040 0.000 2.330 191 L HA 0.432 4.766 4.340 -0.011 0.000 0.271 191 L C -0.241 176.643 176.870 0.025 0.000 1.013 191 L CA -0.760 54.072 54.840 -0.014 0.000 0.816 191 L CB 2.001 44.070 42.059 0.017 0.000 1.287 191 L HN 0.218 nan 8.230 nan 0.000 0.435 192 E N 1.675 121.885 120.200 0.016 0.000 2.227 192 E HA 0.320 4.663 4.350 -0.011 0.000 0.282 192 E C -1.012 175.615 176.600 0.045 0.000 1.015 192 E CA -0.668 55.748 56.400 0.027 0.000 0.823 192 E CB 1.518 31.225 29.700 0.012 0.000 1.081 192 E HN 0.375 nan 8.360 nan 0.000 0.396 193 N N 3.152 121.884 118.700 0.053 0.000 2.699 193 N HA 0.055 4.789 4.740 -0.011 0.000 0.271 193 N C -1.232 174.290 175.510 0.019 0.000 1.216 193 N CA -0.346 52.741 53.050 0.062 0.000 0.844 193 N CB 1.325 39.902 38.487 0.151 0.000 1.462 193 N HN 0.484 nan 8.380 nan 0.000 0.555 194 D N 1.007 121.412 120.400 0.009 0.000 2.328 194 D HA 0.156 4.790 4.640 -0.011 0.000 0.221 194 D C -0.433 175.855 176.300 -0.020 0.000 1.072 194 D CA 0.272 54.266 54.000 -0.010 0.000 0.850 194 D CB 0.401 41.201 40.800 -0.000 0.000 0.922 194 D HN 0.373 nan 8.370 nan 0.000 0.516 195 N N 1.371 120.064 118.700 -0.012 0.000 2.765 195 N HA 0.111 4.844 4.740 -0.011 0.000 0.277 195 N C -0.378 175.124 175.510 -0.015 0.000 1.750 195 N CA -0.147 52.897 53.050 -0.011 0.000 0.827 195 N CB 1.390 39.884 38.487 0.012 0.000 1.200 195 N HN 0.009 nan 8.380 nan 0.000 0.494 196 K N 0.228 120.565 120.400 -0.106 0.000 2.095 196 K HA 0.272 4.585 4.320 -0.011 0.000 0.252 196 K C 0.575 177.095 176.600 -0.133 0.000 0.977 196 K CA -0.449 55.723 56.287 -0.192 0.000 0.900 196 K CB 1.717 33.823 32.500 -0.657 0.000 1.060 196 K HN 0.161 nan 8.250 nan 0.000 0.449 197 E N 0.905 121.106 120.200 0.001 0.000 2.445 197 E HA 0.055 4.398 4.350 -0.011 0.000 0.189 197 E C -0.838 175.866 176.600 0.174 0.000 1.069 197 E CA 0.059 56.519 56.400 0.100 0.000 0.871 197 E CB -0.093 29.709 29.700 0.170 0.000 0.991 197 E HN 0.343 nan 8.360 nan 0.000 0.481 198 F N -2.244 117.698 119.950 -0.013 0.000 2.693 198 F HA 0.478 4.999 4.527 -0.011 0.000 0.309 198 F C -0.484 175.300 175.800 -0.026 0.000 1.129 198 F CA -1.253 56.741 58.000 -0.009 0.000 0.948 198 F CB 0.887 39.905 39.000 0.030 0.000 1.315 198 F HN -0.229 nan 8.300 nan 0.000 0.447 199 T N -2.180 112.448 114.554 0.123 0.000 2.938 199 T HA 0.405 4.749 4.350 -0.011 0.000 0.285 199 T C 0.347 175.142 174.700 0.159 0.000 1.028 199 T CA -0.482 61.627 62.100 0.015 0.000 1.005 199 T CB 1.727 70.613 68.868 0.030 0.000 1.157 199 T HN 0.796 nan 8.240 nan 0.000 0.550 200 E N 0.038 120.262 120.200 0.039 0.000 2.265 200 E HA -0.119 4.224 4.350 -0.011 0.000 0.196 200 E C 1.000 177.611 176.600 0.019 0.000 0.996 200 E CA 0.826 57.219 56.400 -0.012 0.000 0.832 200 E CB -0.115 29.469 29.700 -0.194 0.000 0.756 200 E HN 0.561 nan 8.360 nan 0.000 0.491 201 D N 1.093 121.529 120.400 0.060 0.000 2.310 201 D HA -0.100 4.534 4.640 -0.011 0.000 0.212 201 D C 0.986 177.344 176.300 0.097 0.000 0.965 201 D CA 0.776 54.816 54.000 0.067 0.000 0.879 201 D CB -0.075 40.768 40.800 0.071 0.000 0.921 201 D HN 0.151 nan 8.370 nan 0.000 0.510 202 D N -0.194 120.304 120.400 0.162 0.000 2.340 202 D HA 0.037 4.670 4.640 -0.011 0.000 0.220 202 D C 0.544 177.018 176.300 0.290 0.000 1.039 202 D CA 0.080 54.205 54.000 0.209 0.000 0.866 202 D CB 0.770 41.722 40.800 0.253 0.000 0.913 202 D HN 0.234 nan 8.370 nan 0.000 0.523 203 L N 1.644 122.991 121.223 0.207 0.000 2.312 203 L HA 0.272 4.605 4.340 -0.011 0.000 0.281 203 L C 0.126 177.059 176.870 0.105 0.000 1.070 203 L CA -0.821 54.140 54.840 0.201 0.000 0.805 203 L CB 0.906 42.992 42.059 0.045 0.000 1.174 203 L HN -0.118 nan 8.230 nan 0.000 0.434 204 N N -0.970 117.778 118.700 0.079 0.000 2.262 204 N HA 0.288 5.021 4.740 -0.011 0.000 0.295 204 N C 0.181 175.651 175.510 -0.067 0.000 1.161 204 N CA -0.631 52.381 53.050 -0.063 0.000 0.767 204 N CB 1.652 40.024 38.487 -0.192 0.000 1.499 204 N HN 0.452 nan 8.380 nan 0.000 0.476 205 S N -0.100 115.563 115.700 -0.062 0.000 2.461 205 S HA 0.007 4.471 4.470 -0.011 0.000 0.228 205 S C 1.642 176.206 174.600 -0.061 0.000 1.005 205 S CA 0.367 58.539 58.200 -0.046 0.000 0.942 205 S CB -0.583 62.599 63.200 -0.030 0.000 0.776 205 S HN 0.733 nan 8.310 nan 0.000 0.514 206 A N 2.050 124.812 122.820 -0.097 0.000 2.066 206 A HA 0.102 4.416 4.320 -0.011 0.000 0.218 206 A C 0.959 178.469 177.584 -0.123 0.000 1.157 206 A CA 0.576 52.552 52.037 -0.102 0.000 0.670 206 A CB -0.659 18.270 19.000 -0.118 0.000 0.804 206 A HN 0.587 nan 8.150 nan 0.000 0.453 207 N N -1.056 117.536 118.700 -0.180 0.000 2.756 207 N HA -0.128 4.605 4.740 -0.011 0.000 0.248 207 N C -0.935 174.452 175.510 -0.205 0.000 1.062 207 N CA 0.919 53.883 53.050 -0.144 0.000 0.696 207 N CB -1.161 37.327 38.487 0.002 0.000 0.946 207 N HN 0.218 nan 8.380 nan 0.000 0.548 208 V N 1.929 121.574 119.914 -0.448 0.000 2.407 208 V HA 0.516 4.630 4.120 -0.011 0.000 0.291 208 V C -0.316 175.470 176.094 -0.514 0.000 1.018 208 V CA -0.460 61.654 62.300 -0.311 0.000 0.842 208 V CB 1.209 32.907 31.823 -0.209 0.000 0.996 208 V HN 0.161 nan 8.190 nan 0.000 0.426 209 Y N 1.551 121.799 120.300 -0.087 0.000 2.605 209 Y HA 0.618 5.161 4.550 -0.011 0.000 0.343 209 Y C 0.692 176.527 175.900 -0.108 0.000 1.036 209 Y CA -0.830 57.206 58.100 -0.108 0.000 1.065 209 Y CB 2.169 40.544 38.460 -0.143 0.000 1.288 209 Y HN 0.632 nan 8.280 nan 0.000 0.481 210 S N 0.318 116.055 115.700 0.062 0.000 2.669 210 S HA 0.342 4.805 4.470 -0.011 0.000 0.270 210 S C -2.270 172.314 174.600 -0.026 0.000 1.225 210 S CA -1.127 57.071 58.200 -0.004 0.000 0.991 210 S CB 1.648 64.834 63.200 -0.023 0.000 0.987 210 S HN 0.403 nan 8.310 nan 0.000 0.552 211 P HA -0.107 nan 4.420 nan 0.000 0.215 211 P C 1.402 178.674 177.300 -0.047 0.000 1.157 211 P CA 1.284 64.363 63.100 -0.035 0.000 0.874 211 P CB 0.030 31.702 31.700 -0.047 0.000 0.790 212 K N 0.005 120.370 120.400 -0.059 0.000 2.097 212 K HA -0.163 4.150 4.320 -0.011 0.000 0.206 212 K C 2.152 178.659 176.600 -0.155 0.000 1.049 212 K CA 1.604 57.847 56.287 -0.073 0.000 0.933 212 K CB -0.747 31.717 32.500 -0.060 0.000 0.717 212 K HN 0.112 nan 8.250 nan 0.000 0.442 213 Q N -0.237 119.431 119.800 -0.222 0.000 2.124 213 Q HA -0.081 4.252 4.340 -0.011 0.000 0.202 213 Q C 2.002 177.532 176.000 -0.784 0.000 0.977 213 Q CA 1.459 56.968 55.803 -0.491 0.000 0.850 213 Q CB -0.070 28.459 28.738 -0.348 0.000 0.901 213 Q HN 0.308 nan 8.270 nan 0.000 0.429 214 L N 0.239 121.215 121.223 -0.412 0.000 2.156 214 L HA -0.135 4.198 4.340 -0.011 0.000 0.208 214 L C 2.391 179.252 176.870 -0.015 0.000 1.095 214 L CA 0.864 55.562 54.840 -0.236 0.000 0.770 214 L CB -0.352 41.658 42.059 -0.081 0.000 0.914 214 L HN 0.313 nan 8.230 nan 0.000 0.439 215 E N 0.095 120.296 120.200 0.001 0.000 2.077 215 E HA -0.209 4.134 4.350 -0.011 0.000 0.193 215 E C 1.951 178.637 176.600 0.142 0.000 0.989 215 E CA 1.863 58.368 56.400 0.175 0.000 0.800 215 E CB 0.134 29.920 29.700 0.142 0.000 0.746 215 E HN 0.367 nan 8.360 nan 0.000 0.452 216 T N 0.372 114.905 114.554 -0.034 0.000 2.746 216 T HA -0.140 4.204 4.350 -0.011 0.000 0.267 216 T C 1.501 176.272 174.700 0.119 0.000 1.039 216 T CA 1.372 63.471 62.100 -0.001 0.000 1.142 216 T CB -0.449 68.325 68.868 -0.157 0.000 0.866 216 T HN 0.240 nan 8.240 nan 0.000 0.444 217 F N 0.753 120.665 119.950 -0.062 0.000 2.095 217 F HA -0.055 4.465 4.527 -0.011 0.000 0.298 217 F C 2.313 178.188 175.800 0.126 0.000 1.104 217 F CA 0.586 58.569 58.000 -0.027 0.000 1.232 217 F CB -0.408 38.543 39.000 -0.082 0.000 0.987 217 F HN 0.102 nan 8.300 nan 0.000 0.475 218 I N 0.204 120.909 120.570 0.225 0.000 2.226 218 I HA -0.336 3.828 4.170 -0.011 0.000 0.245 218 I C 2.118 178.088 176.117 -0.245 0.000 1.100 218 I CA 1.449 62.678 61.300 -0.119 0.000 1.374 218 I CB -0.521 37.224 38.000 -0.425 0.000 1.057 218 I HN 0.156 nan 8.210 nan 0.000 0.413 219 N N 0.994 119.639 118.700 -0.092 0.000 2.166 219 N HA -0.260 4.473 4.740 -0.011 0.000 0.186 219 N C 1.795 177.368 175.510 0.104 0.000 1.019 219 N CA 1.355 54.417 53.050 0.019 0.000 0.856 219 N CB -0.280 38.340 38.487 0.223 0.000 0.993 219 N HN 0.315 nan 8.380 nan 0.000 0.426 220 F N 0.501 120.519 119.950 0.114 0.000 2.134 220 F HA -0.106 4.414 4.527 -0.011 0.000 0.299 220 F C 2.115 177.971 175.800 0.093 0.000 1.097 220 F CA 1.058 59.164 58.000 0.176 0.000 1.264 220 F CB -0.733 38.511 39.000 0.408 0.000 1.001 220 F HN 0.100 nan 8.300 nan 0.000 0.479 221 C N 0.696 119.871 119.300 -0.209 0.000 2.440 221 C HA -0.086 4.367 4.460 -0.011 0.000 0.278 221 C C 2.841 177.657 174.990 -0.290 0.000 1.295 221 C CA 0.828 59.642 59.018 -0.341 0.000 1.738 221 C CB -1.308 26.333 27.740 -0.164 0.000 1.987 221 C HN 0.541 nan 8.230 nan 0.000 0.492 222 I N 1.129 121.569 120.570 -0.218 0.000 2.127 222 I HA -0.241 3.922 4.170 -0.011 0.000 0.241 222 I C 2.541 178.553 176.117 -0.175 0.000 1.075 222 I CA 1.760 62.954 61.300 -0.175 0.000 1.334 222 I CB -0.480 37.415 38.000 -0.175 0.000 1.040 222 I HN 0.279 nan 8.210 nan 0.000 0.405 223 S N 0.581 116.182 115.700 -0.164 0.000 2.368 223 S HA -0.151 4.313 4.470 -0.011 0.000 0.225 223 S C 2.190 176.689 174.600 -0.168 0.000 1.030 223 S CA 1.264 59.385 58.200 -0.132 0.000 0.999 223 S CB -0.380 62.781 63.200 -0.065 0.000 0.844 223 S HN 0.548 nan 8.310 nan 0.000 0.459 224 A N 2.146 124.785 122.820 -0.301 0.000 1.841 224 A HA -0.112 4.201 4.320 -0.011 0.000 0.214 224 A C 2.078 179.637 177.584 -0.042 0.000 1.195 224 A CA 1.387 53.286 52.037 -0.231 0.000 0.611 224 A CB -0.450 18.267 19.000 -0.470 0.000 0.835 224 A HN 0.432 nan 8.150 nan 0.000 0.443 225 K N -1.087 119.207 120.400 -0.176 0.000 2.025 225 K HA -0.055 4.259 4.320 -0.011 0.000 0.207 225 K C 1.908 178.385 176.600 -0.204 0.000 1.049 225 K CA 1.407 57.490 56.287 -0.341 0.000 0.933 225 K CB -0.280 31.859 32.500 -0.601 0.000 0.714 225 K HN 0.324 nan 8.250 nan 0.000 0.438 226 M N 1.120 120.591 119.600 -0.216 0.000 2.374 226 M HA -0.065 4.408 4.480 -0.011 0.000 0.264 226 M C 2.199 178.404 176.300 -0.159 0.000 1.067 226 M CA 1.272 56.421 55.300 -0.252 0.000 1.103 226 M CB -1.144 31.290 32.600 -0.277 0.000 1.402 226 M HN 0.111 nan 8.290 nan 0.000 0.444 227 S N -0.787 114.864 115.700 -0.082 0.000 2.469 227 S HA -0.028 4.436 4.470 -0.011 0.000 0.238 227 S C 1.729 176.321 174.600 -0.013 0.000 0.998 227 S CA 0.971 59.144 58.200 -0.045 0.000 0.957 227 S CB -0.399 62.788 63.200 -0.021 0.000 0.764 227 S HN 0.291 nan 8.310 nan 0.000 0.514 228 V N 0.523 120.461 119.914 0.039 0.000 2.996 228 V HA 0.290 4.403 4.120 -0.011 0.000 0.235 228 V C 2.073 178.198 176.094 0.053 0.000 1.205 228 V CA 0.369 62.723 62.300 0.090 0.000 1.225 228 V CB -0.332 31.640 31.823 0.248 0.000 0.995 228 V HN 0.385 nan 8.190 nan 0.000 0.484 229 L N 0.163 121.390 121.223 0.006 0.000 2.478 229 L HA -0.016 4.318 4.340 -0.011 0.000 0.223 229 L C 2.385 179.106 176.870 -0.249 0.000 1.140 229 L CA 0.636 55.433 54.840 -0.071 0.000 0.842 229 L CB -0.478 41.530 42.059 -0.085 0.000 0.953 229 L HN 0.280 nan 8.230 nan 0.000 0.452 230 S N -0.022 115.502 115.700 -0.294 0.000 2.419 230 S HA -0.176 4.288 4.470 -0.011 0.000 0.235 230 S C 1.777 176.275 174.600 -0.170 0.000 1.019 230 S CA 1.388 59.401 58.200 -0.313 0.000 0.982 230 S CB -0.001 63.058 63.200 -0.235 0.000 0.789 230 S HN 0.532 nan 8.310 nan 0.000 0.490 231 E N 0.036 120.173 120.200 -0.105 0.000 2.175 231 E HA 0.031 4.375 4.350 -0.011 0.000 0.195 231 E C 0.240 176.811 176.600 -0.048 0.000 0.934 231 E CA 0.176 56.538 56.400 -0.064 0.000 0.870 231 E CB 0.096 29.772 29.700 -0.041 0.000 0.838 231 E HN 0.132 nan 8.360 nan 0.000 0.474 232 D N 0.896 121.286 120.400 -0.016 0.000 2.619 232 D HA 0.051 4.685 4.640 -0.011 0.000 0.224 232 D C 0.617 176.923 176.300 0.011 0.000 1.133 232 D CA -0.072 53.936 54.000 0.014 0.000 1.017 232 D CB 0.019 40.859 40.800 0.067 0.000 1.077 232 D HN -0.031 nan 8.370 nan 0.000 0.503 233 I N 1.168 121.673 120.570 -0.108 0.000 2.335 233 I HA -0.257 3.906 4.170 -0.011 0.000 0.251 233 I C 1.290 177.277 176.117 -0.216 0.000 1.129 233 I CA 1.297 62.517 61.300 -0.134 0.000 1.402 233 I CB -0.461 37.304 38.000 -0.390 0.000 1.069 233 I HN 0.431 nan 8.210 nan 0.000 0.424 234 Y N 0.190 120.475 120.300 -0.026 0.000 2.466 234 Y HA 0.163 4.708 4.550 -0.009 0.000 0.272 234 Y C 0.577 176.557 175.900 0.133 0.000 1.169 234 Y CA -0.375 57.644 58.100 -0.135 0.000 1.285 234 Y CB -0.351 37.866 38.460 -0.404 0.000 1.078 234 Y HN 0.150 nan 8.280 nan 0.000 0.523 235 E N 0.281 120.625 120.200 0.239 0.000 2.360 235 E HA -0.282 4.062 4.350 -0.011 0.000 0.238 235 E C 0.422 177.139 176.600 0.195 0.000 1.186 235 E CA 0.496 57.034 56.400 0.230 0.000 0.719 235 E CB -1.175 28.677 29.700 0.254 0.000 1.236 235 E HN 0.603 nan 8.360 nan 0.000 0.386 236 K N -0.423 120.080 120.400 0.172 0.000 2.355 236 K HA 0.168 4.481 4.320 -0.011 0.000 0.198 236 K C 1.177 177.835 176.600 0.097 0.000 1.039 236 K CA 0.138 56.505 56.287 0.133 0.000 1.075 236 K CB 0.593 33.171 32.500 0.130 0.000 0.870 236 K HN 0.057 nan 8.250 nan 0.000 0.540 237 K N 0.592 121.046 120.400 0.091 0.000 4.675 237 K HA 0.235 4.549 4.320 -0.011 0.000 0.244 237 K C 1.172 177.800 176.600 0.046 0.000 1.075 237 K CA -0.456 55.869 56.287 0.062 0.000 1.964 237 K CB 0.214 32.746 32.500 0.054 0.000 2.954 237 K HN -0.233 nan 8.250 nan 0.000 0.670 238 K N 1.068 121.486 120.400 0.031 0.000 2.209 238 K HA -0.084 4.229 4.320 -0.011 0.000 0.204 238 K C 1.899 178.491 176.600 -0.013 0.000 1.048 238 K CA 1.316 57.601 56.287 -0.004 0.000 0.940 238 K CB -0.298 32.197 32.500 -0.009 0.000 0.729 238 K HN 0.532 nan 8.250 nan 0.000 0.451 239 G N 1.255 110.102 108.800 0.078 0.000 2.498 239 G HA2 -0.206 3.747 3.960 -0.011 0.000 0.219 239 G HA3 -0.206 3.747 3.960 -0.011 0.000 0.219 239 G C 1.313 176.307 174.900 0.157 0.000 1.119 239 G CA 0.225 45.444 45.100 0.198 0.000 0.766 239 G HN 0.163 nan 8.290 nan 0.000 0.552 240 L N -0.048 121.215 121.223 0.067 0.000 2.353 240 L HA -0.032 4.301 4.340 -0.011 0.000 0.220 240 L C 2.545 179.407 176.870 -0.014 0.000 1.133 240 L CA 0.117 54.988 54.840 0.052 0.000 0.798 240 L CB -0.196 41.892 42.059 0.048 0.000 0.922 240 L HN 0.220 nan 8.230 nan 0.000 0.445 241 I N -0.451 120.025 120.570 -0.156 0.000 2.454 241 I HA -0.272 3.892 4.170 -0.011 0.000 0.254 241 I C 1.665 177.613 176.117 -0.281 0.000 1.156 241 I CA 1.571 62.706 61.300 -0.274 0.000 1.433 241 I CB -0.278 37.444 38.000 -0.464 0.000 1.082 241 I HN 0.070 nan 8.210 nan 0.000 0.432 242 F N -0.144 119.816 119.950 0.017 0.000 2.802 242 F HA 0.024 4.544 4.527 -0.011 0.000 0.300 242 F C 1.929 177.671 175.800 -0.097 0.000 1.168 242 F CA 0.181 58.179 58.000 -0.004 0.000 1.433 242 F CB -0.269 38.719 39.000 -0.021 0.000 1.115 242 F HN 0.070 nan 8.300 nan 0.000 0.582 243 E N -0.576 119.643 120.200 0.032 0.000 2.463 243 E HA -0.022 4.321 4.350 -0.011 0.000 0.193 243 E C -0.213 176.477 176.600 0.150 0.000 1.041 243 E CA -0.281 56.062 56.400 -0.095 0.000 0.879 243 E CB -0.293 29.404 29.700 -0.005 0.000 0.997 243 E HN 0.286 nan 8.360 nan 0.000 0.478 244 Y N 0.193 120.544 120.300 0.084 0.000 2.721 244 Y HA 0.261 4.804 4.550 -0.011 0.000 0.329 244 Y C 1.556 177.606 175.900 0.249 0.000 1.211 244 Y CA 1.447 59.630 58.100 0.137 0.000 1.512 244 Y CB 0.275 38.788 38.460 0.087 0.000 1.249 244 Y HN 0.220 nan 8.280 nan 0.000 0.549 245 G N 3.846 112.481 108.800 -0.276 0.000 2.205 245 G HA2 -0.381 3.573 3.960 -0.011 0.000 0.261 245 G HA3 -0.381 3.573 3.960 -0.011 0.000 0.261 245 G C 0.856 175.708 174.900 -0.080 0.000 0.980 245 G CA 0.757 45.701 45.100 -0.260 0.000 0.632 245 G HN 0.765 nan 8.290 nan 0.000 0.533 246 H N 0.242 119.286 119.070 -0.044 0.000 2.512 246 H HA 0.185 4.734 4.556 -0.011 0.000 0.279 246 H C 2.747 178.107 175.328 0.054 0.000 0.999 246 H CA 1.787 57.846 56.048 0.019 0.000 1.283 246 H CB -0.086 29.717 29.762 0.069 0.000 1.421 246 H HN 0.412 nan 8.280 nan 0.000 0.554 247 T N 0.379 115.024 114.554 0.152 0.000 2.652 247 T HA -0.110 4.233 4.350 -0.011 0.000 0.267 247 T C 2.022 176.789 174.700 0.112 0.000 1.039 247 T CA 1.570 63.744 62.100 0.123 0.000 1.153 247 T CB -0.136 68.788 68.868 0.095 0.000 0.863 247 T HN 0.271 nan 8.240 nan 0.000 0.428 248 I N 0.625 121.244 120.570 0.081 0.000 3.035 248 I HA 0.123 4.287 4.170 -0.011 0.000 0.271 248 I C 2.862 178.998 176.117 0.031 0.000 1.190 248 I CA 0.490 61.844 61.300 0.090 0.000 1.472 248 I CB -0.605 37.487 38.000 0.153 0.000 1.116 248 I HN 0.286 nan 8.210 nan 0.000 0.443 249 G N 0.733 109.510 108.800 -0.038 0.000 2.446 249 G HA2 -0.367 3.586 3.960 -0.011 0.000 0.217 249 G HA3 -0.367 3.586 3.960 -0.011 0.000 0.217 249 G C 1.518 176.372 174.900 -0.078 0.000 1.168 249 G CA 1.348 46.364 45.100 -0.139 0.000 0.771 249 G HN 0.382 nan 8.290 nan 0.000 0.551 250 H N 1.345 120.365 119.070 -0.083 0.000 2.353 250 H HA 0.039 4.589 4.556 -0.012 0.000 0.298 250 H C 2.641 177.946 175.328 -0.037 0.000 1.103 250 H CA 2.021 58.058 56.048 -0.019 0.000 1.293 250 H CB -0.411 29.384 29.762 0.055 0.000 1.372 250 H HN 0.297 nan 8.280 nan 0.000 0.501 251 A N 0.487 123.246 122.820 -0.101 0.000 1.898 251 A HA -0.071 4.243 4.320 -0.011 0.000 0.216 251 A C 2.664 180.117 177.584 -0.219 0.000 1.181 251 A CA 1.505 53.451 52.037 -0.152 0.000 0.620 251 A CB -0.724 18.287 19.000 0.018 0.000 0.819 251 A HN 0.512 nan 8.150 nan 0.000 0.442 252 I N -0.701 119.789 120.570 -0.133 0.000 2.252 252 I HA -0.245 3.918 4.170 -0.011 0.000 0.245 252 I C 2.562 178.559 176.117 -0.199 0.000 1.102 252 I CA 1.740 62.959 61.300 -0.135 0.000 1.385 252 I CB -0.349 37.592 38.000 -0.097 0.000 1.064 252 I HN 0.556 nan 8.210 nan 0.000 0.414 253 E N 1.460 121.543 120.200 -0.194 0.000 2.058 253 E HA -0.236 4.108 4.350 -0.011 0.000 0.194 253 E C 2.342 178.801 176.600 -0.236 0.000 0.997 253 E CA 1.357 57.657 56.400 -0.167 0.000 0.801 253 E CB -0.024 29.627 29.700 -0.082 0.000 0.746 253 E HN 0.442 nan 8.360 nan 0.000 0.450 254 L N 0.279 121.271 121.223 -0.385 0.000 2.027 254 L HA -0.135 4.198 4.340 -0.011 0.000 0.206 254 L C 2.768 179.224 176.870 -0.690 0.000 1.074 254 L CA 1.006 55.532 54.840 -0.523 0.000 0.745 254 L CB -0.649 41.001 42.059 -0.683 0.000 0.898 254 L HN 0.225 nan 8.230 nan 0.000 0.433 255 A N -0.186 122.132 122.820 -0.837 0.000 1.948 255 A HA -0.210 4.103 4.320 -0.011 0.000 0.220 255 A C 2.102 179.540 177.584 -0.244 0.000 1.177 255 A CA 1.644 53.329 52.037 -0.586 0.000 0.636 255 A CB -0.386 18.434 19.000 -0.299 0.000 0.815 255 A HN 0.370 nan 8.150 nan 0.000 0.449 256 E N -0.343 119.740 120.200 -0.195 0.000 2.478 256 E HA -0.067 4.276 4.350 -0.011 0.000 0.198 256 E C 0.027 176.576 176.600 -0.085 0.000 1.046 256 E CA 0.431 56.767 56.400 -0.106 0.000 0.870 256 E CB -0.360 29.286 29.700 -0.089 0.000 0.818 256 E HN 0.736 nan 8.360 nan 0.000 0.527 257 Q N -0.944 118.788 119.800 -0.114 0.000 2.435 257 Q HA -0.289 4.045 4.340 -0.011 0.000 0.312 257 Q C 0.738 176.714 176.000 -0.039 0.000 1.333 257 Q CA 0.323 56.086 55.803 -0.067 0.000 0.883 257 Q CB -1.951 26.768 28.738 -0.030 0.000 1.170 257 Q HN 0.490 nan 8.270 nan 0.000 0.443 258 G N -2.474 106.300 108.800 -0.043 0.000 2.213 258 G HA2 -0.318 3.636 3.960 -0.011 0.000 0.236 258 G HA3 -0.318 3.636 3.960 -0.011 0.000 0.236 258 G C 0.660 175.547 174.900 -0.021 0.000 0.991 258 G CA 0.223 45.310 45.100 -0.023 0.000 0.629 258 G HN 0.802 nan 8.290 nan 0.000 0.517 259 G N 0.546 109.329 108.800 -0.028 0.000 2.448 259 G HA2 0.298 4.252 3.960 -0.011 0.000 0.219 259 G HA3 0.298 4.252 3.960 -0.011 0.000 0.219 259 G C 0.940 175.825 174.900 -0.026 0.000 1.127 259 G CA 1.349 46.435 45.100 -0.024 0.000 0.766 259 G HN 1.543 nan 8.290 nan 0.000 0.552 260 I N -2.005 118.544 120.570 -0.035 0.000 2.785 260 I HA 0.608 4.771 4.170 -0.011 0.000 0.302 260 I C 0.284 176.384 176.117 -0.027 0.000 1.069 260 I CA -1.100 60.178 61.300 -0.037 0.000 1.045 260 I CB 1.970 39.936 38.000 -0.057 0.000 1.236 260 I HN -0.027 nan 8.210 nan 0.000 0.429 261 T N -0.997 113.546 114.554 -0.018 0.000 2.766 261 T HA 0.108 4.451 4.350 -0.011 0.000 0.295 261 T C 0.936 175.639 174.700 0.006 0.000 1.024 261 T CA 0.408 62.514 62.100 0.010 0.000 1.018 261 T CB 0.683 69.563 68.868 0.020 0.000 1.002 261 T HN 0.871 nan 8.240 nan 0.000 0.532 262 H N 0.911 119.957 119.070 -0.040 0.000 2.387 262 H HA 0.067 4.616 4.556 -0.011 0.000 0.299 262 H C 2.227 177.506 175.328 -0.082 0.000 1.090 262 H CA 2.300 58.314 56.048 -0.057 0.000 1.332 262 H CB -0.820 28.924 29.762 -0.031 0.000 1.386 262 H HN 0.785 nan 8.280 nan 0.000 0.516 263 G N 0.069 108.832 108.800 -0.062 0.000 2.433 263 G HA2 -0.258 3.695 3.960 -0.011 0.000 0.216 263 G HA3 -0.258 3.695 3.960 -0.011 0.000 0.216 263 G C 1.591 176.399 174.900 -0.154 0.000 1.186 263 G CA 0.807 45.846 45.100 -0.102 0.000 0.779 263 G HN 0.524 nan 8.290 nan 0.000 0.543 264 E N 0.519 120.651 120.200 -0.113 0.000 2.118 264 E HA -0.058 4.286 4.350 -0.011 0.000 0.195 264 E C 2.876 179.367 176.600 -0.182 0.000 0.992 264 E CA 0.863 57.191 56.400 -0.121 0.000 0.804 264 E CB -0.185 29.466 29.700 -0.082 0.000 0.741 264 E HN 0.418 nan 8.360 nan 0.000 0.458 265 A N 0.744 123.434 122.820 -0.217 0.000 1.898 265 A HA -0.162 4.152 4.320 -0.011 0.000 0.216 265 A C 2.108 179.497 177.584 -0.326 0.000 1.181 265 A CA 1.053 52.938 52.037 -0.254 0.000 0.620 265 A CB -0.341 18.514 19.000 -0.241 0.000 0.819 265 A HN 0.127 nan 8.150 nan 0.000 0.442 266 I N -0.111 120.202 120.570 -0.429 0.000 2.394 266 I HA -0.143 4.021 4.170 -0.011 0.000 0.251 266 I C 2.740 178.682 176.117 -0.292 0.000 1.136 266 I CA 0.959 61.990 61.300 -0.449 0.000 1.425 266 I CB -0.414 37.219 38.000 -0.613 0.000 1.079 266 I HN 0.316 nan 8.210 nan 0.000 0.425 267 A N -0.325 122.351 122.820 -0.240 0.000 1.877 267 A HA -0.150 4.163 4.320 -0.011 0.000 0.216 267 A C 2.406 179.835 177.584 -0.257 0.000 1.186 267 A CA 1.978 53.900 52.037 -0.192 0.000 0.620 267 A CB -1.079 17.832 19.000 -0.149 0.000 0.822 267 A HN 0.219 nan 8.150 nan 0.000 0.443 268 V N 0.023 119.747 119.914 -0.316 0.000 2.490 268 V HA -0.155 3.959 4.120 -0.011 0.000 0.250 268 V C 2.737 178.485 176.094 -0.576 0.000 1.061 268 V CA 1.764 63.772 62.300 -0.486 0.000 1.064 268 V CB -1.374 30.151 31.823 -0.497 0.000 0.670 268 V HN 0.624 nan 8.190 nan 0.000 0.461 269 G N -0.770 107.800 108.800 -0.384 0.000 2.422 269 G HA2 -0.221 3.732 3.960 -0.011 0.000 0.218 269 G HA3 -0.221 3.732 3.960 -0.011 0.000 0.218 269 G C 1.596 176.337 174.900 -0.266 0.000 1.140 269 G CA 0.817 45.753 45.100 -0.272 0.000 0.775 269 G HN 0.422 nan 8.290 nan 0.000 0.545 270 M N -0.152 119.264 119.600 -0.307 0.000 2.156 270 M HA 0.124 4.598 4.480 -0.011 0.000 0.264 270 M C 2.550 178.772 176.300 -0.130 0.000 1.067 270 M CA 0.989 56.076 55.300 -0.354 0.000 1.131 270 M CB -0.300 32.195 32.600 -0.175 0.000 1.368 270 M HN 0.166 nan 8.290 nan 0.000 0.416 271 I N -0.698 119.784 120.570 -0.148 0.000 2.163 271 I HA -0.348 3.816 4.170 -0.011 0.000 0.243 271 I C 2.196 178.321 176.117 0.013 0.000 1.085 271 I CA 1.750 62.946 61.300 -0.172 0.000 1.347 271 I CB -0.531 37.236 38.000 -0.388 0.000 1.044 271 I HN 0.305 nan 8.210 nan 0.000 0.408 272 Y N 0.349 120.578 120.300 -0.119 0.000 2.274 272 Y HA -0.231 4.312 4.550 -0.011 0.000 0.290 272 Y C 2.664 178.527 175.900 -0.062 0.000 1.145 272 Y CA 0.256 58.316 58.100 -0.068 0.000 1.203 272 Y CB -0.191 38.240 38.460 -0.048 0.000 0.984 272 Y HN 0.216 nan 8.280 nan 0.000 0.533 273 A N 0.098 122.952 122.820 0.056 0.000 1.929 273 A HA -0.046 4.268 4.320 -0.011 0.000 0.216 273 A C 2.362 179.986 177.584 0.068 0.000 1.176 273 A CA 1.227 53.281 52.037 0.028 0.000 0.628 273 A CB -0.770 18.146 19.000 -0.141 0.000 0.816 273 A HN 0.381 nan 8.150 nan 0.000 0.444 274 A N 0.125 122.936 122.820 -0.015 0.000 1.898 274 A HA -0.120 4.194 4.320 -0.011 0.000 0.216 274 A C 2.107 179.667 177.584 -0.041 0.000 1.181 274 A CA 1.683 53.638 52.037 -0.137 0.000 0.620 274 A CB -0.391 18.224 19.000 -0.641 0.000 0.819 274 A HN 0.500 nan 8.150 nan 0.000 0.442 275 K N -0.431 119.972 120.400 0.005 0.000 2.026 275 K HA -0.053 4.260 4.320 -0.011 0.000 0.208 275 K C 1.832 178.449 176.600 0.029 0.000 1.048 275 K CA 1.499 57.808 56.287 0.037 0.000 0.929 275 K CB -0.384 32.154 32.500 0.064 0.000 0.713 275 K HN 0.511 nan 8.250 nan 0.000 0.439 276 I N 1.096 121.685 120.570 0.032 0.000 2.208 276 I HA -0.300 3.864 4.170 -0.011 0.000 0.245 276 I C 2.480 178.621 176.117 0.041 0.000 1.097 276 I CA 1.170 62.489 61.300 0.030 0.000 1.363 276 I CB -0.362 37.663 38.000 0.041 0.000 1.051 276 I HN 0.170 nan 8.210 nan 0.000 0.413 277 A N 0.561 123.415 122.820 0.057 0.000 1.972 277 A HA -0.248 4.066 4.320 -0.011 0.000 0.219 277 A C 2.173 179.787 177.584 0.050 0.000 1.169 277 A CA 1.957 54.033 52.037 0.064 0.000 0.635 277 A CB -0.825 18.228 19.000 0.089 0.000 0.810 277 A HN 0.558 nan 8.150 nan 0.000 0.446 278 N N -0.583 118.141 118.700 0.041 0.000 2.135 278 N HA -0.163 4.570 4.740 -0.011 0.000 0.186 278 N C 1.719 177.248 175.510 0.032 0.000 1.027 278 N CA 1.109 54.182 53.050 0.039 0.000 0.849 278 N CB -0.159 38.350 38.487 0.037 0.000 1.002 278 N HN 0.198 nan 8.380 nan 0.000 0.425 279 R N 0.389 120.904 120.500 0.025 0.000 2.241 279 R HA 0.101 4.435 4.340 -0.011 0.000 0.224 279 R C 1.402 177.714 176.300 0.021 0.000 1.101 279 R CA 0.753 56.863 56.100 0.017 0.000 0.995 279 R CB -0.269 30.035 30.300 0.007 0.000 0.870 279 R HN 0.428 nan 8.270 nan 0.000 0.463 280 M N 0.444 120.062 119.600 0.029 0.000 2.475 280 M HA 0.134 4.608 4.480 -0.011 0.000 0.261 280 M C -0.393 175.931 176.300 0.040 0.000 1.177 280 M CA -0.009 55.311 55.300 0.033 0.000 0.979 280 M CB 0.452 33.074 32.600 0.036 0.000 1.482 280 M HN 0.084 nan 8.290 nan 0.000 0.484 281 N N 0.150 118.872 118.700 0.037 0.000 2.741 281 N HA -0.191 4.543 4.740 -0.011 0.000 0.250 281 N C 0.310 175.847 175.510 0.043 0.000 1.115 281 N CA 0.807 53.880 53.050 0.037 0.000 0.724 281 N CB -1.768 36.740 38.487 0.034 0.000 1.090 281 N HN 0.453 nan 8.380 nan 0.000 0.558 282 L N -1.105 120.148 121.223 0.049 0.000 2.388 282 L HA 0.303 4.636 4.340 -0.011 0.000 0.209 282 L C 1.099 178.002 176.870 0.055 0.000 1.061 282 L CA 0.498 55.371 54.840 0.055 0.000 0.834 282 L CB 0.200 42.297 42.059 0.064 0.000 1.029 282 L HN 0.166 nan 8.230 nan 0.000 0.473 283 M N 0.887 120.522 119.600 0.058 0.000 2.253 283 M HA 0.452 4.926 4.480 -0.011 0.000 0.314 283 M C -2.590 173.751 176.300 0.067 0.000 1.019 283 M CA -1.804 53.536 55.300 0.067 0.000 0.932 283 M CB 2.470 35.114 32.600 0.074 0.000 1.606 283 M HN -0.310 nan 8.290 nan 0.000 0.430 284 P HA 0.031 nan 4.420 nan 0.000 0.269 284 P C -0.141 177.223 177.300 0.107 0.000 1.209 284 P CA 0.177 63.327 63.100 0.084 0.000 0.776 284 P CB 0.619 32.370 31.700 0.084 0.000 0.876 285 E N 1.991 122.247 120.200 0.093 0.000 2.160 285 E HA -0.297 4.046 4.350 -0.011 0.000 0.195 285 E C 1.699 178.368 176.600 0.115 0.000 0.991 285 E CA 1.590 58.042 56.400 0.087 0.000 0.810 285 E CB -0.818 28.919 29.700 0.061 0.000 0.742 285 E HN 0.501 nan 8.360 nan 0.000 0.466 286 H N 0.745 119.842 119.070 0.044 0.000 2.352 286 H HA -0.138 4.412 4.556 -0.011 0.000 0.299 286 H C 1.152 176.538 175.328 0.096 0.000 1.097 286 H CA 1.962 58.039 56.048 0.048 0.000 1.311 286 H CB -0.021 29.758 29.762 0.027 0.000 1.377 286 H HN 0.290 nan 8.280 nan 0.000 0.504 287 D N 0.220 120.804 120.400 0.306 0.000 2.219 287 D HA -0.098 4.536 4.640 -0.011 0.000 0.205 287 D C 2.414 178.864 176.300 0.250 0.000 0.970 287 D CA 0.916 55.096 54.000 0.300 0.000 0.851 287 D CB 0.262 41.225 40.800 0.270 0.000 0.943 287 D HN 0.274 nan 8.370 nan 0.000 0.488 288 V N 1.198 121.189 119.914 0.129 0.000 2.261 288 V HA -0.224 3.890 4.120 -0.011 0.000 0.246 288 V C 2.588 178.835 176.094 0.255 0.000 1.047 288 V CA 1.547 63.895 62.300 0.081 0.000 1.015 288 V CB -0.665 31.217 31.823 0.099 0.000 0.642 288 V HN 0.117 nan 8.190 nan 0.000 0.446 289 S N 0.388 116.195 115.700 0.179 0.000 2.383 289 S HA -0.215 4.248 4.470 -0.011 0.000 0.229 289 S C 2.194 176.944 174.600 0.251 0.000 1.030 289 S CA 1.454 59.759 58.200 0.175 0.000 1.002 289 S CB -0.588 62.582 63.200 -0.051 0.000 0.829 289 S HN 0.665 nan 8.310 nan 0.000 0.467 290 A N 1.189 124.118 122.820 0.181 0.000 2.024 290 A HA -0.179 4.135 4.320 -0.011 0.000 0.220 290 A C 1.790 179.604 177.584 0.384 0.000 1.164 290 A CA 1.331 53.546 52.037 0.297 0.000 0.643 290 A CB -0.783 18.365 19.000 0.246 0.000 0.806 290 A HN 0.641 nan 8.150 nan 0.000 0.451 291 H N -2.654 116.542 119.070 0.210 0.000 2.333 291 H HA -0.133 4.416 4.556 -0.011 0.000 0.302 291 H C 2.013 177.403 175.328 0.104 0.000 1.075 291 H CA 1.898 58.023 56.048 0.127 0.000 1.348 291 H CB -0.162 29.631 29.762 0.051 0.000 1.393 291 H HN 0.656 nan 8.280 nan 0.000 0.509 292 Y N -0.287 120.165 120.300 0.253 0.000 2.114 292 Y HA -0.300 4.244 4.550 -0.010 0.000 0.284 292 Y C 2.636 178.655 175.900 0.199 0.000 1.143 292 Y CA 1.375 59.580 58.100 0.175 0.000 1.135 292 Y CB -0.627 37.919 38.460 0.144 0.000 0.980 292 Y HN 0.279 nan 8.280 nan 0.000 0.499 293 W N 0.438 121.864 121.300 0.209 0.000 2.317 293 W HA -0.284 4.370 4.660 -0.011 0.000 0.318 293 W C 2.134 178.700 176.519 0.078 0.000 1.227 293 W CA 1.752 59.163 57.345 0.109 0.000 1.269 293 W CB -0.875 28.624 29.460 0.066 0.000 1.155 293 W HN 0.102 nan 8.180 nan 0.000 0.484 294 L N 0.208 121.431 121.223 -0.001 0.000 2.056 294 L HA -0.094 4.239 4.340 -0.011 0.000 0.207 294 L C 2.439 179.227 176.870 -0.137 0.000 1.078 294 L CA 1.801 56.503 54.840 -0.231 0.000 0.749 294 L CB -1.068 40.922 42.059 -0.115 0.000 0.901 294 L HN 0.041 nan 8.230 nan 0.000 0.433 295 L N -0.804 120.398 121.223 -0.036 0.000 2.141 295 L HA -0.159 4.174 4.340 -0.011 0.000 0.209 295 L C 2.138 178.994 176.870 -0.023 0.000 1.094 295 L CA 0.715 55.534 54.840 -0.035 0.000 0.763 295 L CB -0.625 41.414 42.059 -0.033 0.000 0.908 295 L HN 0.335 nan 8.230 nan 0.000 0.437 296 N N 0.347 119.056 118.700 0.015 0.000 2.309 296 N HA -0.144 4.589 4.740 -0.011 0.000 0.182 296 N C 1.665 177.158 175.510 -0.029 0.000 1.018 296 N CA 0.978 54.044 53.050 0.027 0.000 0.876 296 N CB -0.040 38.505 38.487 0.097 0.000 0.972 296 N HN 0.340 nan 8.380 nan 0.000 0.434 297 K N 0.816 121.151 120.400 -0.108 0.000 2.280 297 K HA -0.049 4.265 4.320 -0.011 0.000 0.202 297 K C 1.645 178.200 176.600 -0.075 0.000 1.047 297 K CA 0.795 57.001 56.287 -0.136 0.000 0.942 297 K CB -0.015 32.322 32.500 -0.272 0.000 0.739 297 K HN 0.392 nan 8.250 nan 0.000 0.457 298 I N -4.220 116.314 120.570 -0.060 0.000 4.025 298 I HA 0.333 4.496 4.170 -0.011 0.000 0.336 298 I C 0.589 176.694 176.117 -0.020 0.000 1.390 298 I CA -0.108 61.174 61.300 -0.029 0.000 1.099 298 I CB 0.551 38.531 38.000 -0.034 0.000 1.049 298 I HN 0.049 nan 8.210 nan 0.000 0.394 299 G N 1.944 110.732 108.800 -0.020 0.000 2.249 299 G HA2 -0.339 3.615 3.960 -0.011 0.000 0.273 299 G HA3 -0.339 3.615 3.960 -0.011 0.000 0.273 299 G C 1.019 175.912 174.900 -0.012 0.000 1.036 299 G CA 0.509 45.602 45.100 -0.011 0.000 0.824 299 G HN 0.759 nan 8.290 nan 0.000 0.504 300 A N -0.802 122.006 122.820 -0.018 0.000 1.972 300 A HA 0.241 4.554 4.320 -0.011 0.000 0.219 300 A C 2.074 179.637 177.584 -0.034 0.000 1.169 300 A CA 1.558 53.576 52.037 -0.031 0.000 0.635 300 A CB -0.118 18.854 19.000 -0.046 0.000 0.810 300 A HN 0.951 nan 8.150 nan 0.000 0.446 301 L N -0.552 120.661 121.223 -0.016 0.000 2.728 301 L HA 0.088 4.421 4.340 -0.011 0.000 0.235 301 L C 1.838 178.711 176.870 0.004 0.000 1.197 301 L CA -0.176 54.659 54.840 -0.009 0.000 0.992 301 L CB -0.283 41.789 42.059 0.022 0.000 1.263 301 L HN 0.463 nan 8.230 nan 0.000 0.484 302 Q N 0.243 120.042 119.800 -0.001 0.000 1.937 302 Q HA -0.074 4.259 4.340 -0.011 0.000 0.198 302 Q C 0.756 176.754 176.000 -0.002 0.000 0.977 302 Q CA 0.984 56.788 55.803 0.002 0.000 0.836 302 Q CB 0.118 28.855 28.738 -0.001 0.000 0.899 302 Q HN 0.412 nan 8.270 nan 0.000 0.437 303 D N 0.649 121.043 120.400 -0.008 0.000 2.348 303 D HA 0.062 4.695 4.640 -0.011 0.000 0.248 303 D C 0.389 176.681 176.300 -0.014 0.000 1.142 303 D CA 0.586 54.580 54.000 -0.010 0.000 0.904 303 D CB -0.004 40.789 40.800 -0.011 0.000 0.901 303 D HN 0.204 nan 8.370 nan 0.000 0.523 310 P HA -0.089 nan 4.420 nan 0.000 0.217 310 P C 0.850 178.222 177.300 0.120 0.000 1.150 310 P CA 0.846 63.996 63.100 0.082 0.000 0.832 310 P CB 0.660 32.373 31.700 0.023 0.000 0.787 311 D N -0.187 120.267 120.400 0.090 0.000 2.144 311 D HA -0.114 4.519 4.640 -0.011 0.000 0.199 311 D C 2.205 178.613 176.300 0.181 0.000 0.984 311 D CA 1.205 55.268 54.000 0.106 0.000 0.834 311 D CB -0.476 40.345 40.800 0.035 0.000 0.955 311 D HN 0.179 nan 8.370 nan 0.000 0.465 312 S N 0.444 116.255 115.700 0.185 0.000 2.348 312 S HA -0.122 4.342 4.470 -0.011 0.000 0.221 312 S C 2.233 177.073 174.600 0.400 0.000 1.033 312 S CA 0.653 59.020 58.200 0.278 0.000 1.010 312 S CB -0.275 63.072 63.200 0.245 0.000 0.891 312 S HN 0.158 nan 8.310 nan 0.000 0.442 313 I N 0.240 120.983 120.570 0.289 0.000 2.163 313 I HA -0.159 4.004 4.170 -0.011 0.000 0.243 313 I C 2.187 178.487 176.117 0.305 0.000 1.085 313 I CA 1.643 63.098 61.300 0.258 0.000 1.347 313 I CB -0.472 37.641 38.000 0.187 0.000 1.044 313 I HN 0.329 nan 8.210 nan 0.000 0.408 314 F N 0.716 120.757 119.950 0.152 0.000 2.269 314 F HA -0.229 4.293 4.527 -0.009 0.000 0.301 314 F C 2.509 178.416 175.800 0.177 0.000 1.082 314 F CA 1.681 59.756 58.000 0.125 0.000 1.360 314 F CB -0.507 38.532 39.000 0.065 0.000 1.041 314 F HN 0.107 nan 8.300 nan 0.000 0.512 315 H N -2.031 117.096 119.070 0.095 0.000 2.326 315 H HA -0.193 4.358 4.556 -0.010 0.000 0.301 315 H C 2.099 177.347 175.328 -0.133 0.000 1.081 315 H CA 1.693 57.706 56.048 -0.059 0.000 1.334 315 H CB -0.199 29.517 29.762 -0.076 0.000 1.385 315 H HN 0.262 nan 8.280 nan 0.000 0.504 316 Y N -0.006 120.287 120.300 -0.011 0.000 2.274 316 Y HA -0.214 4.329 4.550 -0.011 0.000 0.290 316 Y C 2.467 178.298 175.900 -0.116 0.000 1.145 316 Y CA 0.739 58.777 58.100 -0.103 0.000 1.203 316 Y CB -0.213 38.191 38.460 -0.095 0.000 0.984 316 Y HN 0.237 nan 8.280 nan 0.000 0.533 317 L N 0.178 121.410 121.223 0.016 0.000 2.012 317 L HA -0.130 4.204 4.340 -0.011 0.000 0.210 317 L C 1.139 177.921 176.870 -0.147 0.000 1.073 317 L CA 1.182 55.970 54.840 -0.087 0.000 0.748 317 L CB -0.752 41.176 42.059 -0.218 0.000 0.891 317 L HN 0.045 nan 8.230 nan 0.000 0.431 331 D N 2.033 122.454 120.400 0.036 0.000 2.367 331 D HA 0.132 4.766 4.640 -0.011 0.000 0.207 331 D C -0.196 176.132 176.300 0.047 0.000 1.034 331 D CA 0.137 54.163 54.000 0.043 0.000 0.861 331 D CB 0.360 41.179 40.800 0.033 0.000 0.943 331 D HN 0.247 nan 8.370 nan 0.000 0.515 332 N N 0.773 119.493 118.700 0.033 0.000 2.402 332 N HA 0.514 5.248 4.740 -0.011 0.000 0.294 332 N C -0.877 174.646 175.510 0.022 0.000 1.203 332 N CA -0.487 52.577 53.050 0.023 0.000 0.838 332 N CB 2.860 41.344 38.487 -0.005 0.000 1.306 332 N HN -0.009 nan 8.380 nan 0.000 0.510 333 L N -0.075 121.158 121.223 0.017 0.000 2.464 333 L HA 0.521 4.855 4.340 -0.011 0.000 0.266 333 L C 0.010 176.879 176.870 -0.000 0.000 0.965 333 L CA -0.681 54.168 54.840 0.015 0.000 0.833 333 L CB 1.649 43.727 42.059 0.032 0.000 1.296 333 L HN 0.598 nan 8.230 nan 0.000 0.405 334 G N 4.980 113.777 108.800 -0.004 0.000 2.378 334 G HA2 0.469 4.423 3.960 -0.011 0.000 0.255 334 G HA3 0.469 4.423 3.960 -0.011 0.000 0.255 334 G C -0.647 174.263 174.900 0.016 0.000 1.270 334 G CA -0.256 44.837 45.100 -0.013 0.000 0.876 334 G HN 0.557 nan 8.290 nan 0.000 0.521 335 M N 1.042 120.652 119.600 0.016 0.000 2.550 335 M HA 0.356 4.829 4.480 -0.011 0.000 0.292 335 M C -1.048 175.299 176.300 0.079 0.000 1.221 335 M CA -0.761 54.573 55.300 0.057 0.000 0.873 335 M CB 2.735 35.373 32.600 0.063 0.000 1.727 335 M HN 0.251 nan 8.290 nan 0.000 0.459 336 I N 3.236 123.884 120.570 0.131 0.000 2.337 336 I HA 0.359 4.523 4.170 -0.011 0.000 0.291 336 I C -0.627 175.646 176.117 0.260 0.000 1.046 336 I CA 0.278 61.678 61.300 0.167 0.000 1.324 336 I CB 0.310 38.430 38.000 0.201 0.000 1.409 336 I HN 0.428 nan 8.210 nan 0.000 0.494 337 L N 6.407 127.738 121.223 0.180 0.000 2.283 337 L HA 0.684 5.018 4.340 -0.011 0.000 0.259 337 L C -0.749 176.176 176.870 0.091 0.000 1.027 337 L CA -0.992 53.975 54.840 0.212 0.000 0.828 337 L CB 1.778 43.923 42.059 0.144 0.000 1.380 337 L HN 0.323 nan 8.230 nan 0.000 0.425 338 L N -0.330 120.944 121.223 0.086 0.000 2.354 338 L HA 0.412 4.745 4.340 -0.011 0.000 0.269 338 L C 0.735 177.639 176.870 0.056 0.000 1.005 338 L CA -0.432 54.411 54.840 0.006 0.000 0.819 338 L CB 2.122 44.143 42.059 -0.064 0.000 1.311 338 L HN 0.779 nan 8.230 nan 0.000 0.423 339 S N -0.377 115.347 115.700 0.040 0.000 2.501 339 S HA 0.376 4.839 4.470 -0.011 0.000 0.220 339 S C 0.588 175.226 174.600 0.063 0.000 0.997 339 S CA 0.266 58.497 58.200 0.051 0.000 0.919 339 S CB 0.362 63.585 63.200 0.038 0.000 0.778 339 S HN 0.917 nan 8.310 nan 0.000 0.523 340 G N 0.086 108.926 108.800 0.067 0.000 2.451 340 G HA2 0.426 4.380 3.960 -0.011 0.000 0.292 340 G HA3 0.426 4.380 3.960 -0.011 0.000 0.292 340 G C -1.347 173.610 174.900 0.095 0.000 1.427 340 G CA -0.644 44.515 45.100 0.098 0.000 0.792 340 G HN 0.216 nan 8.290 nan 0.000 0.498 341 V N 1.342 121.338 119.914 0.136 0.000 2.539 341 V HA 0.340 4.454 4.120 -0.011 0.000 0.300 341 V C 1.809 177.927 176.094 0.039 0.000 1.019 341 V CA 2.245 64.604 62.300 0.098 0.000 1.160 341 V CB 0.420 32.324 31.823 0.135 0.000 0.901 341 V HN 2.481 nan 8.190 nan 0.000 0.481 342 G N 4.470 113.264 108.800 -0.009 0.000 2.162 342 G HA2 -0.268 3.685 3.960 -0.011 0.000 0.260 342 G HA3 -0.268 3.685 3.960 -0.011 0.000 0.260 342 G C 0.156 175.036 174.900 -0.034 0.000 0.976 342 G CA 0.356 45.442 45.100 -0.023 0.000 0.655 342 G HN 0.684 nan 8.290 nan 0.000 0.533 343 K N 1.004 121.383 120.400 -0.035 0.000 2.579 343 K HA 0.387 4.700 4.320 -0.011 0.000 0.225 343 K C -2.906 173.666 176.600 -0.047 0.000 0.992 343 K CA -1.902 54.367 56.287 -0.030 0.000 1.018 343 K CB 2.400 34.899 32.500 -0.002 0.000 1.249 343 K HN 0.052 nan 8.250 nan 0.000 0.489 344 P HA -0.032 nan 4.420 nan 0.000 0.268 344 P C -0.855 176.432 177.300 -0.022 0.000 1.205 344 P CA -0.116 62.938 63.100 -0.077 0.000 0.771 344 P CB 0.807 32.449 31.700 -0.097 0.000 0.858 345 A N 4.304 127.127 122.820 0.005 0.000 2.289 345 A HA 0.589 4.903 4.320 -0.011 0.000 0.298 345 A C -0.050 177.573 177.584 0.065 0.000 1.208 345 A CA -0.373 51.690 52.037 0.043 0.000 0.845 345 A CB -0.078 18.962 19.000 0.067 0.000 1.125 345 A HN 0.380 nan 8.150 nan 0.000 0.517 346 M N 1.269 120.911 119.600 0.070 0.000 2.471 346 M HA 0.426 4.899 4.480 -0.011 0.000 0.309 346 M C -1.070 175.329 176.300 0.165 0.000 1.186 346 M CA -0.298 55.054 55.300 0.088 0.000 1.008 346 M CB 1.057 33.682 32.600 0.041 0.000 1.551 346 M HN 0.708 nan 8.290 nan 0.000 0.477 347 Y N 1.538 121.847 120.300 0.015 0.000 2.313 347 Y HA 0.207 4.751 4.550 -0.011 0.000 0.320 347 Y C -0.293 175.617 175.900 0.017 0.000 1.171 347 Y CA -0.444 57.667 58.100 0.018 0.000 1.093 347 Y CB 0.795 39.270 38.460 0.025 0.000 1.224 347 Y HN 0.873 nan 8.280 nan 0.000 0.421 348 N N 4.641 123.207 118.700 -0.224 0.000 2.740 348 N HA -0.235 4.498 4.740 -0.011 0.000 0.248 348 N C -0.289 175.216 175.510 -0.009 0.000 1.062 348 N CA 1.644 54.631 53.050 -0.106 0.000 0.704 348 N CB -0.687 37.794 38.487 -0.011 0.000 0.968 348 N HN 0.840 nan 8.380 nan 0.000 0.547 349 Q N -3.132 116.662 119.800 -0.011 0.000 2.481 349 Q HA -0.167 4.166 4.340 -0.011 0.000 0.272 349 Q C -0.517 175.505 176.000 0.037 0.000 1.157 349 Q CA 1.802 57.611 55.803 0.010 0.000 0.935 349 Q CB -1.719 27.020 28.738 0.002 0.000 1.338 349 Q HN 0.619 nan 8.270 nan 0.000 0.494 350 T N -1.190 113.406 114.554 0.070 0.000 2.896 350 T HA 0.564 4.907 4.350 -0.011 0.000 0.297 350 T C 0.917 175.675 174.700 0.096 0.000 1.108 350 T CA -0.825 61.326 62.100 0.084 0.000 1.004 350 T CB 1.193 70.126 68.868 0.108 0.000 1.159 350 T HN 0.136 nan 8.240 nan 0.000 0.499 351 L N 1.156 122.421 121.223 0.070 0.000 2.591 351 L HA 0.319 4.653 4.340 -0.011 0.000 0.228 351 L C 0.095 177.008 176.870 0.071 0.000 1.133 351 L CA 0.433 55.309 54.840 0.060 0.000 0.880 351 L CB -0.028 42.048 42.059 0.028 0.000 1.033 351 L HN 0.308 nan 8.230 nan 0.000 0.450 352 L N 0.433 121.703 121.223 0.079 0.000 2.255 352 L HA 0.247 4.580 4.340 -0.011 0.000 0.289 352 L C -0.180 176.687 176.870 -0.005 0.000 1.046 352 L CA -0.084 54.784 54.840 0.047 0.000 0.816 352 L CB 1.286 43.371 42.059 0.043 0.000 1.197 352 L HN -0.042 nan 8.230 nan 0.000 0.427 353 T N 5.138 119.648 114.554 -0.072 0.000 2.767 353 T HA 0.329 4.673 4.350 -0.011 0.000 0.284 353 T C -2.392 172.118 174.700 -0.317 0.000 0.973 353 T CA -1.242 60.684 62.100 -0.290 0.000 0.996 353 T CB 1.359 70.154 68.868 -0.122 0.000 0.927 353 T HN 0.345 nan 8.240 nan 0.000 0.456 354 P HA 0.282 nan 4.420 nan 0.000 0.271 354 P C -0.997 176.198 177.300 -0.175 0.000 1.220 354 P CA -0.269 62.665 63.100 -0.276 0.000 0.768 354 P CB 0.758 32.285 31.700 -0.288 0.000 0.848 355 V N 4.896 124.766 119.914 -0.074 0.000 2.656 355 V HA 0.347 4.460 4.120 -0.011 0.000 0.307 355 V C 0.795 176.894 176.094 0.009 0.000 1.051 355 V CA -1.049 61.236 62.300 -0.025 0.000 0.893 355 V CB 1.902 33.727 31.823 0.004 0.000 0.999 355 V HN 0.459 nan 8.190 nan 0.000 0.426 356 R N 2.498 123.007 120.500 0.014 0.000 2.480 356 R HA 0.078 4.411 4.340 -0.011 0.000 0.303 356 R C 1.270 177.605 176.300 0.059 0.000 0.985 356 R CA 0.140 56.257 56.100 0.028 0.000 1.051 356 R CB 0.343 30.651 30.300 0.013 0.000 0.935 356 R HN 0.627 nan 8.270 nan 0.000 0.410 357 K N 0.903 121.362 120.400 0.098 0.000 2.103 357 K HA -0.186 4.128 4.320 -0.011 0.000 0.207 357 K C 1.881 178.526 176.600 0.075 0.000 1.048 357 K CA 2.166 58.576 56.287 0.206 0.000 0.930 357 K CB -0.022 32.648 32.500 0.284 0.000 0.716 357 K HN 0.733 nan 8.250 nan 0.000 0.444 358 T N 0.051 114.602 114.554 -0.005 0.000 2.915 358 T HA -0.109 4.235 4.350 -0.011 0.000 0.269 358 T C 1.807 176.448 174.700 -0.099 0.000 1.071 358 T CA 0.782 62.826 62.100 -0.094 0.000 1.132 358 T CB -0.133 68.698 68.868 -0.061 0.000 0.878 358 T HN 0.070 nan 8.240 nan 0.000 0.479 359 L N 0.714 121.910 121.223 -0.045 0.000 2.095 359 L HA 0.335 4.669 4.340 -0.011 0.000 0.204 359 L C 2.278 179.116 176.870 -0.053 0.000 1.080 359 L CA 1.106 55.919 54.840 -0.045 0.000 0.759 359 L CB -0.650 41.399 42.059 -0.016 0.000 0.914 359 L HN 0.264 nan 8.230 nan 0.000 0.439 360 I N -0.164 120.404 120.570 -0.004 0.000 2.163 360 I HA -0.333 3.830 4.170 -0.011 0.000 0.243 360 I C 2.539 178.629 176.117 -0.046 0.000 1.085 360 I CA 1.724 63.048 61.300 0.039 0.000 1.347 360 I CB -0.386 37.737 38.000 0.205 0.000 1.044 360 I HN 0.314 nan 8.210 nan 0.000 0.408 361 K N 0.761 121.032 120.400 -0.214 0.000 2.147 361 K HA -0.251 4.062 4.320 -0.011 0.000 0.205 361 K C 2.059 178.497 176.600 -0.270 0.000 1.049 361 K CA 1.504 57.524 56.287 -0.444 0.000 0.936 361 K CB 0.057 31.979 32.500 -0.963 0.000 0.722 361 K HN 0.057 nan 8.250 nan 0.000 0.446 362 E N 0.248 120.323 120.200 -0.210 0.000 2.072 362 E HA -0.117 4.226 4.350 -0.011 0.000 0.191 362 E C 1.748 178.248 176.600 -0.167 0.000 0.985 362 E CA 1.168 57.472 56.400 -0.160 0.000 0.801 362 E CB -0.088 29.541 29.700 -0.119 0.000 0.750 362 E HN 0.117 nan 8.360 nan 0.000 0.452 363 V N 0.744 120.545 119.914 -0.188 0.000 2.343 363 V HA -0.237 3.877 4.120 -0.011 0.000 0.247 363 V C 2.381 178.191 176.094 -0.474 0.000 1.051 363 V CA 1.736 63.874 62.300 -0.270 0.000 1.036 363 V CB -0.450 31.223 31.823 -0.251 0.000 0.654 363 V HN 0.310 nan 8.190 nan 0.000 0.451 364 I N -0.439 119.860 120.570 -0.451 0.000 2.264 364 I HA -0.286 3.877 4.170 -0.011 0.000 0.248 364 I C 2.758 178.737 176.117 -0.230 0.000 1.111 364 I CA 1.659 62.691 61.300 -0.446 0.000 1.382 364 I CB -0.402 37.529 38.000 -0.115 0.000 1.060 364 I HN 0.225 nan 8.210 nan 0.000 0.418 365 R N 0.955 121.351 120.500 -0.173 0.000 2.075 365 R HA -0.168 4.165 4.340 -0.011 0.000 0.232 365 R C 2.125 178.378 176.300 -0.078 0.000 1.126 365 R CA 1.458 57.497 56.100 -0.101 0.000 0.963 365 R CB -0.045 30.193 30.300 -0.103 0.000 0.858 365 R HN 0.423 nan 8.270 nan 0.000 0.435 366 E N -0.357 119.780 120.200 -0.106 0.000 2.153 366 E HA -0.024 4.319 4.350 -0.011 0.000 0.194 366 E C 1.002 177.600 176.600 -0.002 0.000 0.988 366 E CA 0.566 56.934 56.400 -0.054 0.000 0.811 366 E CB -0.074 29.591 29.700 -0.058 0.000 0.746 366 E HN 0.524 nan 8.360 nan 0.000 0.466 367 G N 0.847 109.641 108.800 -0.010 0.000 2.693 367 G HA2 -0.286 3.668 3.960 -0.011 0.000 0.226 367 G HA3 -0.286 3.668 3.960 -0.011 0.000 0.226 367 G C -0.170 174.903 174.900 0.288 0.000 1.354 367 G CA -0.392 44.808 45.100 0.167 0.000 0.873 367 G HN 0.114 nan 8.290 nan 0.000 0.562 368 L N 0.000 121.401 121.223 0.296 0.000 2.949 368 L HA 0.000 4.334 4.340 -0.011 0.000 0.249 368 L CA 0.000 55.025 54.840 0.309 0.000 0.813 368 L CB 0.000 42.187 42.059 0.214 0.000 0.961 368 L HN 0.000 nan 8.230 nan 0.000 0.502