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 1xes_1_C DATA FIRST_RESID 6 DATA SEQUENCE FEGFRKLQRA DGFASILAIG TANPPNAVDQ STYPDFYFRI TGNEXXXXXX DATA SEQUENCE XKFKRICERS AIKQRYMYLT EEILKKNPDV CAFVEVPSLD ARQAMLAMEV DATA SEQUENCE PRLAKEAAEK AIQEWGQSKS GITHLIFCST TTPDLPGADF EVAKLLGLHP DATA SEQUENCE SVKRVGVFQH GCFAGGTVLR MAKDLAENNR GARVLVICSE TTAVTFRGPS DATA SEQUENCE ETHXXSLVGQ ALFGDGASAL IVGADPIPQV EKACFEIVWT AQTVVPNSEG DATA SEQUENCE AIGGKVREVG LTFQLKGAVP DLISANIENC MVEAFSQFKI SDWNKLFWVV DATA SEQUENCE HPGGRAILDR VEAKLNLDPT KLIPTRHVMS EYGNMSSACV HFILDQTRKA DATA SEQUENCE SLQNGCSTTG EGLEMGVLFG FGPGLTIETV VLKSVPI 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 6 F HA 0.000 nan 4.527 nan 0.000 0.279 6 F C 0.000 175.871 175.800 0.119 0.000 0.967 6 F CA 0.000 58.073 58.000 0.121 0.000 1.383 6 F CB 0.000 39.065 39.000 0.108 0.000 1.145 7 E N 0.109 120.527 120.200 0.363 0.000 4.277 7 E HA -0.326 4.024 4.350 0.001 0.000 0.189 7 E C 1.682 178.381 176.600 0.164 0.000 1.264 7 E CA 2.415 58.931 56.400 0.192 0.000 2.321 7 E CB -2.369 27.416 29.700 0.141 0.000 1.841 7 E HN 1.865 nan 8.360 nan 0.000 0.373 8 G N -0.961 107.933 108.800 0.158 0.000 2.471 8 G HA2 0.154 4.115 3.960 0.001 0.000 0.219 8 G HA3 0.154 4.115 3.960 0.001 0.000 0.219 8 G C 1.511 176.531 174.900 0.201 0.000 1.125 8 G CA 1.442 46.620 45.100 0.130 0.000 0.775 8 G HN 0.972 nan 8.290 nan 0.000 0.548 9 F N 0.922 120.914 119.950 0.070 0.000 2.113 9 F HA -0.041 4.487 4.527 0.001 0.000 0.297 9 F C 2.833 178.675 175.800 0.070 0.000 1.103 9 F CA 1.215 59.261 58.000 0.077 0.000 1.248 9 F CB 0.180 39.268 39.000 0.147 0.000 0.999 9 F HN 0.143 nan 8.300 nan 0.000 0.475 10 R N 1.560 122.055 120.500 -0.008 0.000 2.091 10 R HA -0.175 4.166 4.340 0.001 0.000 0.238 10 R C 2.425 178.666 176.300 -0.098 0.000 1.136 10 R CA 2.453 58.464 56.100 -0.150 0.000 0.959 10 R CB -0.971 29.297 30.300 -0.053 0.000 0.856 10 R HN 0.261 nan 8.270 nan 0.000 0.437 11 K N 0.393 120.783 120.400 -0.016 0.000 2.097 11 K HA -0.056 4.265 4.320 0.001 0.000 0.206 11 K C 1.994 178.588 176.600 -0.010 0.000 1.049 11 K CA 1.596 57.878 56.287 -0.009 0.000 0.933 11 K CB -1.040 31.472 32.500 0.019 0.000 0.717 11 K HN 0.287 nan 8.250 nan 0.000 0.442 12 L N 0.623 121.857 121.223 0.019 0.000 2.240 12 L HA 0.063 4.403 4.340 0.001 0.000 0.211 12 L C 2.573 179.439 176.870 -0.007 0.000 1.106 12 L CA 2.011 56.875 54.840 0.039 0.000 0.793 12 L CB -0.180 41.953 42.059 0.124 0.000 0.927 12 L HN 0.594 nan 8.230 nan 0.000 0.446 13 Q N 0.234 119.966 119.800 -0.114 0.000 2.119 13 Q HA -0.125 4.215 4.340 0.001 0.000 0.201 13 Q C 0.799 176.734 176.000 -0.108 0.000 0.972 13 Q CA 0.701 56.392 55.803 -0.185 0.000 0.847 13 Q CB 0.093 28.559 28.738 -0.454 0.000 0.903 13 Q HN 0.605 nan 8.270 nan 0.000 0.433 14 R N -0.545 119.898 120.500 -0.096 0.000 2.549 14 R HA 0.636 4.977 4.340 0.001 0.000 0.267 14 R C -0.607 175.662 176.300 -0.051 0.000 1.045 14 R CA -0.139 55.916 56.100 -0.075 0.000 1.115 14 R CB 0.790 31.041 30.300 -0.082 0.000 1.121 14 R HN 0.000 nan 8.270 nan 0.000 0.543 15 A N 0.602 123.390 122.820 -0.054 0.000 2.246 15 A HA 0.206 4.526 4.320 0.001 0.000 0.291 15 A C -0.085 177.465 177.584 -0.057 0.000 1.103 15 A CA -0.619 51.392 52.037 -0.043 0.000 0.844 15 A CB 0.488 19.463 19.000 -0.042 0.000 1.136 15 A HN 0.924 nan 8.150 nan 0.000 0.500 16 D N -0.030 120.342 120.400 -0.048 0.000 2.468 16 D HA 0.130 4.770 4.640 0.001 0.000 0.243 16 D C 1.327 177.567 176.300 -0.100 0.000 0.994 16 D CA 1.455 55.419 54.000 -0.060 0.000 0.932 16 D CB -0.422 40.360 40.800 -0.030 0.000 1.078 16 D HN 0.610 nan 8.370 nan 0.000 0.473 17 G N -0.228 108.529 108.800 -0.071 0.000 2.543 17 G HA2 0.389 4.349 3.960 0.001 0.000 0.267 17 G HA3 0.389 4.349 3.960 0.001 0.000 0.267 17 G C -0.584 174.230 174.900 -0.144 0.000 1.406 17 G CA -0.530 44.516 45.100 -0.090 0.000 1.048 17 G HN -0.068 nan 8.290 nan 0.000 0.548 18 F N 0.547 120.504 119.950 0.011 0.000 2.389 18 F HA 0.495 5.022 4.527 0.000 0.000 0.337 18 F C 1.172 176.971 175.800 -0.002 0.000 1.112 18 F CA -0.125 57.881 58.000 0.009 0.000 1.192 18 F CB 1.163 40.175 39.000 0.021 0.000 1.185 18 F HN 0.450 nan 8.300 nan 0.000 0.552 19 A N 2.322 125.260 122.820 0.197 0.000 2.520 19 A HA 0.464 4.785 4.320 0.001 0.000 0.245 19 A C -0.236 177.409 177.584 0.101 0.000 1.072 19 A CA -0.088 52.001 52.037 0.087 0.000 0.761 19 A CB -0.254 18.768 19.000 0.037 0.000 1.004 19 A HN 0.657 nan 8.150 nan 0.000 0.499 20 S N 1.569 117.304 115.700 0.057 0.000 2.542 20 S HA 0.549 5.019 4.470 0.001 0.000 0.293 20 S C -0.306 174.304 174.600 0.017 0.000 1.089 20 S CA -0.448 57.786 58.200 0.056 0.000 0.961 20 S CB 1.325 64.561 63.200 0.061 0.000 1.062 20 S HN 0.572 nan 8.310 nan 0.000 0.483 21 I N 3.031 123.627 120.570 0.043 0.000 2.379 21 I HA 0.144 4.314 4.170 0.001 0.000 0.290 21 I C 0.485 176.602 176.117 -0.000 0.000 1.063 21 I CA -0.052 61.256 61.300 0.013 0.000 1.351 21 I CB 0.417 38.474 38.000 0.095 0.000 1.410 21 I HN 0.588 nan 8.210 nan 0.000 0.505 22 L N 6.504 127.699 121.223 -0.047 0.000 2.585 22 L HA 0.480 4.821 4.340 0.001 0.000 0.226 22 L C 0.666 177.545 176.870 0.016 0.000 1.113 22 L CA 0.030 54.868 54.840 -0.003 0.000 0.876 22 L CB -0.101 41.964 42.059 0.010 0.000 1.072 22 L HN 0.723 nan 8.230 nan 0.000 0.468 23 A N 0.555 123.351 122.820 -0.039 0.000 2.590 23 A HA 0.739 5.060 4.320 0.001 0.000 0.294 23 A C -1.484 176.062 177.584 -0.063 0.000 1.046 23 A CA -0.378 51.647 52.037 -0.020 0.000 0.684 23 A CB 1.239 20.253 19.000 0.024 0.000 1.279 23 A HN 0.027 nan 8.150 nan 0.000 0.415 24 I N 1.022 121.559 120.570 -0.054 0.000 2.571 24 I HA 0.610 4.780 4.170 0.001 0.000 0.289 24 I C 0.314 176.363 176.117 -0.114 0.000 1.115 24 I CA -0.497 60.746 61.300 -0.096 0.000 1.045 24 I CB 2.446 40.407 38.000 -0.065 0.000 1.238 24 I HN 0.905 nan 8.210 nan 0.000 0.424 25 G N 2.929 111.638 108.800 -0.153 0.000 2.519 25 G HA2 0.819 4.779 3.960 0.001 0.000 0.307 25 G HA3 0.819 4.779 3.960 0.001 0.000 0.307 25 G C -0.870 173.869 174.900 -0.268 0.000 1.266 25 G CA -0.508 44.494 45.100 -0.164 0.000 0.970 25 G HN 0.575 nan 8.290 nan 0.000 0.481 26 T N -2.398 111.966 114.554 -0.318 0.000 2.883 26 T HA 0.892 5.242 4.350 0.001 0.000 0.296 26 T C -0.504 174.066 174.700 -0.217 0.000 1.117 26 T CA -0.333 61.481 62.100 -0.477 0.000 1.006 26 T CB 2.028 70.198 68.868 -1.163 0.000 1.191 26 T HN 2.027 nan 8.240 nan 0.000 0.508 27 A N 1.287 124.057 122.820 -0.084 0.000 2.604 27 A HA 0.851 5.172 4.320 0.001 0.000 0.295 27 A C -1.555 176.080 177.584 0.085 0.000 1.067 27 A CA -1.074 50.965 52.037 0.003 0.000 0.683 27 A CB 1.326 20.327 19.000 0.002 0.000 1.281 27 A HN 0.958 nan 8.150 nan 0.000 0.407 28 N N 0.020 118.725 118.700 0.008 0.000 2.610 28 N HA 0.695 5.435 4.740 0.001 0.000 0.264 28 N C -3.205 172.310 175.510 0.008 0.000 1.348 28 N CA -1.227 51.824 53.050 0.002 0.000 0.819 28 N CB 1.738 40.114 38.487 -0.186 0.000 1.521 28 N HN 0.377 nan 8.380 nan 0.000 0.497 29 P HA 0.104 nan 4.420 nan 0.000 0.269 29 P C -1.689 175.698 177.300 0.145 0.000 1.209 29 P CA -0.849 62.350 63.100 0.166 0.000 0.776 29 P CB 0.380 32.228 31.700 0.247 0.000 0.876 30 P HA -0.176 nan 4.420 nan 0.000 0.222 30 P C 0.103 177.512 177.300 0.181 0.000 1.147 30 P CA 1.114 64.282 63.100 0.113 0.000 0.790 30 P CB 0.073 31.821 31.700 0.080 0.000 0.780 31 N N 0.607 119.419 118.700 0.186 0.000 2.405 31 N HA 0.254 4.994 4.740 0.001 0.000 0.260 31 N C -0.665 174.968 175.510 0.204 0.000 1.152 31 N CA -0.328 52.811 53.050 0.148 0.000 0.948 31 N CB 0.266 38.799 38.487 0.076 0.000 1.111 31 N HN -0.067 nan 8.380 nan 0.000 0.485 32 A N 3.875 126.773 122.820 0.130 0.000 2.289 32 A HA 0.436 4.756 4.320 0.001 0.000 0.298 32 A C -0.294 177.207 177.584 -0.138 0.000 1.208 32 A CA -0.532 51.451 52.037 -0.091 0.000 0.845 32 A CB 0.929 19.904 19.000 -0.043 0.000 1.125 32 A HN 0.467 nan 8.150 nan 0.000 0.517 33 V N 3.250 123.038 119.914 -0.211 0.000 2.417 33 V HA 0.253 4.373 4.120 0.001 0.000 0.291 33 V C -0.677 175.341 176.094 -0.127 0.000 1.024 33 V CA -0.688 61.540 62.300 -0.119 0.000 0.861 33 V CB 1.634 33.426 31.823 -0.052 0.000 0.985 33 V HN 0.905 nan 8.190 nan 0.000 0.436 34 D N 2.686 123.055 120.400 -0.052 0.000 2.308 34 D HA 0.289 4.929 4.640 0.001 0.000 0.251 34 D C 0.816 177.137 176.300 0.036 0.000 1.127 34 D CA -0.098 53.883 54.000 -0.032 0.000 0.876 34 D CB 1.756 42.550 40.800 -0.010 0.000 1.176 34 D HN 0.580 nan 8.370 nan 0.000 0.446 35 Q N 1.589 121.381 119.800 -0.013 0.000 2.119 35 Q HA -0.149 4.192 4.340 0.001 0.000 0.201 35 Q C 1.741 177.788 176.000 0.078 0.000 0.972 35 Q CA 1.601 57.413 55.803 0.016 0.000 0.847 35 Q CB -0.055 28.647 28.738 -0.060 0.000 0.903 35 Q HN 0.532 nan 8.270 nan 0.000 0.433 36 S N -1.105 114.621 115.700 0.043 0.000 2.402 36 S HA -0.156 4.314 4.470 0.001 0.000 0.233 36 S C 1.569 176.223 174.600 0.090 0.000 1.030 36 S CA 1.468 59.696 58.200 0.047 0.000 1.003 36 S CB -0.820 62.394 63.200 0.023 0.000 0.813 36 S HN 0.507 nan 8.310 nan 0.000 0.477 37 T N -2.984 111.644 114.554 0.123 0.000 3.308 37 T HA 0.380 4.730 4.350 0.001 0.000 0.270 37 T C 0.449 175.305 174.700 0.260 0.000 0.992 37 T CA -0.717 61.475 62.100 0.153 0.000 0.931 37 T CB -0.439 68.491 68.868 0.102 0.000 1.142 37 T HN 0.436 nan 8.240 nan 0.000 0.525 38 Y N 1.945 122.359 120.300 0.189 0.000 2.343 38 Y HA 0.258 4.808 4.550 0.001 0.000 0.294 38 Y C -1.151 175.041 175.900 0.486 0.000 1.122 38 Y CA -0.161 58.133 58.100 0.323 0.000 1.173 38 Y CB -0.188 38.427 38.460 0.259 0.000 1.077 38 Y HN 0.213 nan 8.280 nan 0.000 0.542 39 P HA -0.176 nan 4.420 nan 0.000 0.216 39 P C 0.846 178.373 177.300 0.378 0.000 1.154 39 P CA 2.281 65.725 63.100 0.573 0.000 0.865 39 P CB 0.072 32.009 31.700 0.396 0.000 0.789 40 D N -1.753 118.793 120.400 0.244 0.000 2.084 40 D HA -0.145 4.495 4.640 0.001 0.000 0.196 40 D C 1.706 178.113 176.300 0.179 0.000 0.985 40 D CA 0.958 55.066 54.000 0.179 0.000 0.826 40 D CB -1.125 39.763 40.800 0.147 0.000 0.978 40 D HN 0.078 nan 8.370 nan 0.000 0.456 41 F N 0.618 120.591 119.950 0.038 0.000 2.069 41 F HA -0.268 4.260 4.527 0.001 0.000 0.298 41 F C 2.378 178.149 175.800 -0.047 0.000 1.113 41 F CA 1.424 59.421 58.000 -0.005 0.000 1.214 41 F CB -0.876 38.123 39.000 -0.003 0.000 0.978 41 F HN 0.026 nan 8.300 nan 0.000 0.474 42 Y N -0.593 119.474 120.300 -0.389 0.000 2.097 42 Y HA -0.316 4.234 4.550 0.001 0.000 0.282 42 Y C 2.213 177.884 175.900 -0.382 0.000 1.152 42 Y CA 2.197 59.988 58.100 -0.515 0.000 1.136 42 Y CB -0.794 37.275 38.460 -0.652 0.000 0.975 42 Y HN 0.080 nan 8.280 nan 0.000 0.498 43 F N 0.709 120.431 119.950 -0.380 0.000 2.365 43 F HA -0.103 4.425 4.527 0.001 0.000 0.300 43 F C 2.405 178.013 175.800 -0.320 0.000 1.090 43 F CA 1.491 59.250 58.000 -0.402 0.000 1.408 43 F CB -0.080 38.810 39.000 -0.183 0.000 1.060 43 F HN 0.135 nan 8.300 nan 0.000 0.534 44 R N -0.618 119.802 120.500 -0.133 0.000 2.237 44 R HA 0.081 4.422 4.340 0.001 0.000 0.195 44 R C 1.761 177.918 176.300 -0.238 0.000 0.956 44 R CA 0.609 56.629 56.100 -0.132 0.000 1.029 44 R CB -0.606 29.661 30.300 -0.055 0.000 0.972 44 R HN 0.273 nan 8.270 nan 0.000 0.493 45 I N 2.489 122.811 120.570 -0.413 0.000 2.876 45 I HA -0.065 4.106 4.170 0.001 0.000 0.264 45 I C 1.269 177.206 176.117 -0.301 0.000 1.204 45 I CA 1.209 62.250 61.300 -0.433 0.000 1.485 45 I CB 0.312 37.850 38.000 -0.769 0.000 1.103 45 I HN 0.353 nan 8.210 nan 0.000 0.446 46 T N -2.707 111.614 114.554 -0.388 0.000 3.186 46 T HA 0.373 4.723 4.350 0.001 0.000 0.257 46 T C 1.451 175.989 174.700 -0.271 0.000 1.029 46 T CA 0.081 61.967 62.100 -0.356 0.000 0.916 46 T CB -0.461 68.028 68.868 -0.631 0.000 1.041 46 T HN 0.495 nan 8.240 nan 0.000 0.562 47 G N 0.328 109.002 108.800 -0.208 0.000 2.187 47 G HA2 -0.231 3.730 3.960 0.001 0.000 0.261 47 G HA3 -0.231 3.730 3.960 0.001 0.000 0.261 47 G C 0.156 174.983 174.900 -0.122 0.000 1.000 47 G CA 0.322 45.341 45.100 -0.135 0.000 0.718 47 G HN 1.143 nan 8.290 nan 0.000 0.519 48 N N -0.600 118.004 118.700 -0.161 0.000 2.476 48 N HA 0.829 5.569 4.740 0.001 0.000 0.275 48 N C 0.066 175.620 175.510 0.074 0.000 1.190 48 N CA 0.659 53.668 53.050 -0.069 0.000 0.977 48 N CB 0.907 39.276 38.487 -0.197 0.000 1.200 48 N HN 0.766 nan 8.380 nan 0.000 0.515 58 F N 2.840 122.819 119.950 0.048 0.000 2.293 58 F HA 0.115 4.642 4.527 0.001 0.000 0.297 58 F C 2.656 178.507 175.800 0.085 0.000 1.089 58 F CA 2.538 60.615 58.000 0.128 0.000 1.377 58 F CB 0.248 39.463 39.000 0.358 0.000 1.051 58 F HN 0.346 nan 8.300 nan 0.000 0.511 59 K N 0.994 121.416 120.400 0.037 0.000 2.097 59 K HA -0.052 4.268 4.320 0.001 0.000 0.205 59 K C 2.129 178.667 176.600 -0.103 0.000 1.050 59 K CA 1.622 57.881 56.287 -0.047 0.000 0.938 59 K CB -1.783 30.714 32.500 -0.005 0.000 0.718 59 K HN 0.448 nan 8.250 nan 0.000 0.442 60 R N 0.780 121.237 120.500 -0.072 0.000 2.148 60 R HA 0.229 4.569 4.340 0.001 0.000 0.227 60 R C 2.385 178.623 176.300 -0.103 0.000 1.103 60 R CA 1.394 57.454 56.100 -0.067 0.000 0.983 60 R CB -0.915 29.364 30.300 -0.034 0.000 0.874 60 R HN 0.640 nan 8.270 nan 0.000 0.451 61 I N -0.195 120.276 120.570 -0.166 0.000 2.233 61 I HA -0.263 3.908 4.170 0.001 0.000 0.243 61 I C 2.398 178.366 176.117 -0.248 0.000 1.093 61 I CA 1.197 62.376 61.300 -0.202 0.000 1.380 61 I CB -0.310 37.537 38.000 -0.256 0.000 1.067 61 I HN 0.339 nan 8.210 nan 0.000 0.413 62 C N 1.043 120.125 119.300 -0.363 0.000 2.435 62 C HA -0.119 4.341 4.460 0.001 0.000 0.279 62 C C 3.268 178.170 174.990 -0.145 0.000 1.321 62 C CA 1.307 60.162 59.018 -0.272 0.000 1.752 62 C CB -1.491 26.087 27.740 -0.269 0.000 1.959 62 C HN 0.619 nan 8.230 nan 0.000 0.500 63 E N 0.705 120.834 120.200 -0.119 0.000 2.072 63 E HA -0.137 4.214 4.350 0.001 0.000 0.191 63 E C 2.093 178.655 176.600 -0.064 0.000 0.985 63 E CA 1.773 58.130 56.400 -0.072 0.000 0.801 63 E CB -0.619 29.047 29.700 -0.056 0.000 0.750 63 E HN 0.764 nan 8.360 nan 0.000 0.452 64 R N 0.914 121.372 120.500 -0.071 0.000 2.426 64 R HA 0.374 4.714 4.340 0.001 0.000 0.263 64 R C 2.224 178.488 176.300 -0.059 0.000 0.961 64 R CA 1.083 57.150 56.100 -0.055 0.000 1.086 64 R CB -1.013 29.259 30.300 -0.047 0.000 1.186 64 R HN 0.666 nan 8.270 nan 0.000 0.537 65 S N -1.628 114.026 115.700 -0.077 0.000 2.496 65 S HA 0.345 4.815 4.470 0.001 0.000 0.224 65 S C 1.668 176.235 174.600 -0.056 0.000 0.996 65 S CA 0.827 58.981 58.200 -0.077 0.000 0.927 65 S CB 0.114 63.247 63.200 -0.111 0.000 0.774 65 S HN 1.863 nan 8.310 nan 0.000 0.524 66 A N 0.345 123.136 122.820 -0.048 0.000 2.860 66 A HA -0.149 4.172 4.320 0.001 0.000 0.267 66 A C 0.168 177.731 177.584 -0.036 0.000 1.421 66 A CA 1.122 53.139 52.037 -0.032 0.000 0.831 66 A CB -2.591 16.397 19.000 -0.020 0.000 1.041 66 A HN 0.679 nan 8.150 nan 0.000 0.623 67 I N -1.512 119.024 120.570 -0.056 0.000 2.382 67 I HA 0.487 4.657 4.170 0.001 0.000 0.286 67 I C 1.216 177.285 176.117 -0.080 0.000 1.002 67 I CA -0.026 61.232 61.300 -0.071 0.000 1.135 67 I CB 1.516 39.461 38.000 -0.091 0.000 1.288 67 I HN 0.309 nan 8.210 nan 0.000 0.448 68 K N 5.377 125.728 120.400 -0.082 0.000 2.137 68 K HA 0.083 4.404 4.320 0.001 0.000 0.202 68 K C 0.685 177.213 176.600 -0.119 0.000 1.052 68 K CA 1.117 57.355 56.287 -0.082 0.000 0.961 68 K CB 0.050 32.510 32.500 -0.067 0.000 0.741 68 K HN 0.808 nan 8.250 nan 0.000 0.452 69 Q N -2.437 117.258 119.800 -0.174 0.000 2.648 69 Q HA 0.665 5.006 4.340 0.001 0.000 0.300 69 Q C -1.465 174.356 176.000 -0.297 0.000 0.954 69 Q CA -1.160 54.494 55.803 -0.248 0.000 0.757 69 Q CB 1.699 30.245 28.738 -0.319 0.000 1.482 69 Q HN 0.194 nan 8.270 nan 0.000 0.437 70 R N 0.117 120.399 120.500 -0.363 0.000 2.643 70 R HA 0.420 4.760 4.340 0.001 0.000 0.269 70 R C -1.759 174.322 176.300 -0.364 0.000 1.037 70 R CA -0.705 55.227 56.100 -0.281 0.000 0.894 70 R CB 1.830 32.036 30.300 -0.157 0.000 1.238 70 R HN 0.555 nan 8.270 nan 0.000 0.459 71 Y N 2.199 122.533 120.300 0.056 0.000 2.320 71 Y HA 0.496 5.047 4.550 0.001 0.000 0.334 71 Y C 0.373 176.329 175.900 0.094 0.000 1.055 71 Y CA -0.318 57.830 58.100 0.080 0.000 1.143 71 Y CB 1.427 39.963 38.460 0.125 0.000 1.193 71 Y HN 0.218 nan 8.280 nan 0.000 0.477 72 M N 3.030 122.761 119.600 0.218 0.000 2.326 72 M HA 0.178 4.658 4.480 0.001 0.000 0.292 72 M C -0.092 176.323 176.300 0.192 0.000 1.081 72 M CA -0.888 54.531 55.300 0.199 0.000 0.919 72 M CB 1.851 34.548 32.600 0.161 0.000 1.634 72 M HN 0.802 nan 8.290 nan 0.000 0.451 73 Y N 3.543 123.907 120.300 0.107 0.000 2.181 73 Y HA 0.073 4.624 4.550 0.001 0.000 0.288 73 Y C 0.348 176.281 175.900 0.054 0.000 1.146 73 Y CA 1.394 59.542 58.100 0.080 0.000 1.164 73 Y CB 0.180 38.685 38.460 0.074 0.000 0.982 73 Y HN 0.561 nan 8.280 nan 0.000 0.515 74 L N 3.413 124.558 121.223 -0.130 0.000 2.565 74 L HA 0.092 4.432 4.340 0.001 0.000 0.275 74 L C 0.603 177.375 176.870 -0.163 0.000 1.137 74 L CA 0.185 54.867 54.840 -0.262 0.000 0.915 74 L CB -0.405 41.526 42.059 -0.213 0.000 1.232 74 L HN 0.285 nan 8.230 nan 0.000 0.473 75 T N -1.476 112.956 114.554 -0.204 0.000 2.927 75 T HA 0.385 4.735 4.350 0.001 0.000 0.281 75 T C 1.293 175.997 174.700 0.007 0.000 0.998 75 T CA -0.127 61.925 62.100 -0.080 0.000 1.019 75 T CB 1.662 70.470 68.868 -0.099 0.000 1.061 75 T HN 0.571 nan 8.240 nan 0.000 0.518 76 E N 0.325 120.583 120.200 0.097 0.000 2.097 76 E HA -0.122 4.228 4.350 0.001 0.000 0.196 76 E C 2.340 178.987 176.600 0.077 0.000 1.000 76 E CA 2.514 59.036 56.400 0.204 0.000 0.804 76 E CB -1.847 27.983 29.700 0.217 0.000 0.740 76 E HN 0.998 nan 8.360 nan 0.000 0.454 77 E N 0.475 120.690 120.200 0.023 0.000 2.031 77 E HA -0.063 4.287 4.350 0.001 0.000 0.193 77 E C 2.192 178.779 176.600 -0.022 0.000 0.994 77 E CA 1.323 57.723 56.400 0.000 0.000 0.800 77 E CB -0.650 29.043 29.700 -0.011 0.000 0.752 77 E HN 0.701 nan 8.360 nan 0.000 0.447 78 I N 0.137 120.669 120.570 -0.063 0.000 2.226 78 I HA -0.221 3.950 4.170 0.001 0.000 0.245 78 I C 2.810 178.889 176.117 -0.062 0.000 1.100 78 I CA 1.228 62.477 61.300 -0.086 0.000 1.374 78 I CB -0.201 37.681 38.000 -0.196 0.000 1.057 78 I HN 0.221 nan 8.210 nan 0.000 0.413 79 L N 0.929 122.110 121.223 -0.070 0.000 2.093 79 L HA -0.224 4.117 4.340 0.001 0.000 0.208 79 L C 3.130 179.981 176.870 -0.032 0.000 1.085 79 L CA 1.619 56.416 54.840 -0.071 0.000 0.755 79 L CB -0.863 41.135 42.059 -0.103 0.000 0.904 79 L HN 0.245 nan 8.230 nan 0.000 0.435 80 K N 0.772 121.163 120.400 -0.015 0.000 2.097 80 K HA -0.135 4.185 4.320 0.001 0.000 0.205 80 K C 2.257 178.854 176.600 -0.006 0.000 1.050 80 K CA 1.778 58.060 56.287 -0.008 0.000 0.938 80 K CB -1.144 31.360 32.500 0.006 0.000 0.718 80 K HN 0.421 nan 8.250 nan 0.000 0.442 81 K N 1.094 121.491 120.400 -0.005 0.000 2.487 81 K HA 0.078 4.398 4.320 0.001 0.000 0.192 81 K C 0.682 177.285 176.600 0.005 0.000 1.027 81 K CA 0.614 56.901 56.287 0.000 0.000 1.054 81 K CB -0.161 32.340 32.500 0.002 0.000 0.824 81 K HN 0.552 nan 8.250 nan 0.000 0.510 82 N N 0.351 119.052 118.700 0.002 0.000 2.733 82 N HA 0.156 4.896 4.740 0.001 0.000 0.271 82 N C -2.596 172.925 175.510 0.019 0.000 1.720 82 N CA -1.180 51.879 53.050 0.014 0.000 0.803 82 N CB 1.912 40.412 38.487 0.022 0.000 1.208 82 N HN -0.016 nan 8.380 nan 0.000 0.498 83 P HA -0.142 nan 4.420 nan 0.000 0.219 83 P C 1.087 178.401 177.300 0.023 0.000 1.146 83 P CA 1.193 64.299 63.100 0.010 0.000 0.808 83 P CB 0.277 31.976 31.700 -0.001 0.000 0.779 84 D N -0.942 119.474 120.400 0.027 0.000 2.178 84 D HA -0.100 4.541 4.640 0.001 0.000 0.202 84 D C 1.658 177.991 176.300 0.056 0.000 0.974 84 D CA 0.980 54.998 54.000 0.030 0.000 0.841 84 D CB -1.180 39.635 40.800 0.024 0.000 0.953 84 D HN 0.072 nan 8.370 nan 0.000 0.478 85 V N 0.369 120.335 119.914 0.087 0.000 2.871 85 V HA -0.122 3.998 4.120 0.001 0.000 0.256 85 V C 2.343 178.597 176.094 0.266 0.000 1.082 85 V CA 0.918 63.316 62.300 0.163 0.000 1.105 85 V CB -0.206 31.709 31.823 0.154 0.000 0.713 85 V HN 0.350 nan 8.190 nan 0.000 0.473 86 C N 0.175 119.587 119.300 0.187 0.000 2.594 86 C HA 0.497 4.957 4.460 0.001 0.000 0.265 86 C C 1.626 176.640 174.990 0.040 0.000 1.351 86 C CA -0.464 58.666 59.018 0.187 0.000 1.744 86 C CB -1.300 26.485 27.740 0.074 0.000 1.890 86 C HN 0.520 nan 8.230 nan 0.000 0.551 87 A N -0.060 122.784 122.820 0.039 0.000 2.259 87 A HA 0.537 4.857 4.320 0.001 0.000 0.278 87 A C 0.508 178.124 177.584 0.053 0.000 1.107 87 A CA -0.225 51.825 52.037 0.022 0.000 0.828 87 A CB 0.119 19.130 19.000 0.019 0.000 1.111 87 A HN 0.284 nan 8.150 nan 0.000 0.498 88 F N 0.587 120.479 119.950 -0.097 0.000 2.084 88 F HA 0.159 4.686 4.527 0.001 0.000 0.283 88 F C 1.515 177.263 175.800 -0.087 0.000 1.141 88 F CA 2.421 60.355 58.000 -0.110 0.000 1.146 88 F CB -0.044 38.890 39.000 -0.111 0.000 1.035 88 F HN 0.453 nan 8.300 nan 0.000 0.485 89 V N -2.869 116.949 119.914 -0.161 0.000 3.355 89 V HA 0.347 4.468 4.120 0.001 0.000 0.330 89 V C 0.756 176.815 176.094 -0.058 0.000 1.479 89 V CA 0.006 62.163 62.300 -0.239 0.000 1.150 89 V CB -0.028 31.548 31.823 -0.411 0.000 1.044 89 V HN 0.217 nan 8.190 nan 0.000 0.501 90 E N 2.257 122.465 120.200 0.014 0.000 2.153 90 E HA 0.035 4.385 4.350 0.001 0.000 0.194 90 E C 0.952 177.551 176.600 -0.001 0.000 0.988 90 E CA 1.750 58.162 56.400 0.021 0.000 0.811 90 E CB 0.006 29.725 29.700 0.032 0.000 0.746 90 E HN 0.898 nan 8.360 nan 0.000 0.466 91 V N -2.735 117.172 119.914 -0.011 0.000 3.040 91 V HA 0.562 4.683 4.120 0.001 0.000 0.312 91 V C -2.615 173.466 176.094 -0.022 0.000 1.115 91 V CA -2.721 59.572 62.300 -0.012 0.000 0.998 91 V CB 1.891 33.712 31.823 -0.003 0.000 1.042 91 V HN -0.173 nan 8.190 nan 0.000 0.433 92 P HA 0.344 nan 4.420 nan 0.000 0.274 92 P C 0.075 177.371 177.300 -0.008 0.000 1.231 92 P CA 0.204 63.293 63.100 -0.019 0.000 0.790 92 P CB 1.684 33.376 31.700 -0.014 0.000 0.951 93 S N -0.496 115.200 115.700 -0.005 0.000 2.760 93 S HA -0.012 4.459 4.470 0.001 0.000 0.263 93 S C 1.293 175.905 174.600 0.020 0.000 1.007 93 S CA -0.266 57.942 58.200 0.014 0.000 1.358 93 S CB -0.784 62.432 63.200 0.027 0.000 1.228 93 S HN 0.237 nan 8.310 nan 0.000 0.684 94 L N 3.380 124.607 121.223 0.007 0.000 1.990 94 L HA -0.056 4.285 4.340 0.001 0.000 0.213 94 L C 1.703 178.580 176.870 0.011 0.000 1.072 94 L CA 2.513 57.358 54.840 0.009 0.000 0.755 94 L CB -0.869 41.189 42.059 -0.003 0.000 0.889 94 L HN 0.184 nan 8.230 nan 0.000 0.432 95 D N -0.085 120.319 120.400 0.007 0.000 2.133 95 D HA -0.206 4.435 4.640 0.001 0.000 0.195 95 D C 2.164 178.473 176.300 0.015 0.000 0.997 95 D CA 1.648 55.651 54.000 0.006 0.000 0.840 95 D CB -0.322 40.480 40.800 0.003 0.000 0.947 95 D HN 0.557 nan 8.370 nan 0.000 0.452 96 A N 0.840 123.675 122.820 0.024 0.000 1.898 96 A HA -0.150 4.171 4.320 0.001 0.000 0.216 96 A C 2.198 179.811 177.584 0.050 0.000 1.181 96 A CA 1.143 53.202 52.037 0.037 0.000 0.620 96 A CB -0.362 18.663 19.000 0.042 0.000 0.819 96 A HN 0.116 nan 8.150 nan 0.000 0.442 97 R N -0.674 119.857 120.500 0.051 0.000 2.092 97 R HA -0.098 4.243 4.340 0.001 0.000 0.231 97 R C 2.347 178.666 176.300 0.033 0.000 1.119 97 R CA 1.306 57.443 56.100 0.062 0.000 0.970 97 R CB -0.248 30.094 30.300 0.070 0.000 0.864 97 R HN 0.513 nan 8.270 nan 0.000 0.440 98 Q N 0.285 120.095 119.800 0.016 0.000 2.124 98 Q HA -0.103 4.238 4.340 0.001 0.000 0.202 98 Q C 2.174 178.169 176.000 -0.008 0.000 0.977 98 Q CA 1.720 57.520 55.803 -0.005 0.000 0.850 98 Q CB -0.272 28.459 28.738 -0.012 0.000 0.901 98 Q HN 0.361 nan 8.270 nan 0.000 0.429 99 A N 0.682 123.506 122.820 0.006 0.000 1.902 99 A HA -0.150 4.170 4.320 0.001 0.000 0.217 99 A C 2.195 179.781 177.584 0.003 0.000 1.181 99 A CA 1.416 53.458 52.037 0.008 0.000 0.623 99 A CB -0.457 18.557 19.000 0.023 0.000 0.818 99 A HN 0.294 nan 8.150 nan 0.000 0.443 100 M N -0.588 119.021 119.600 0.014 0.000 2.086 100 M HA -0.089 4.392 4.480 0.001 0.000 0.261 100 M C 2.142 178.354 176.300 -0.147 0.000 1.067 100 M CA 1.399 56.681 55.300 -0.029 0.000 1.116 100 M CB -0.564 32.074 32.600 0.064 0.000 1.348 100 M HN 0.353 nan 8.290 nan 0.000 0.407 101 L N 0.024 121.194 121.223 -0.088 0.000 2.042 101 L HA -0.202 4.139 4.340 0.001 0.000 0.210 101 L C 2.858 179.685 176.870 -0.072 0.000 1.076 101 L CA 1.279 56.069 54.840 -0.084 0.000 0.749 101 L CB -1.042 40.996 42.059 -0.036 0.000 0.893 101 L HN 0.333 nan 8.230 nan 0.000 0.432 102 A N -0.643 122.143 122.820 -0.055 0.000 1.986 102 A HA -0.261 4.059 4.320 0.001 0.000 0.220 102 A C 2.303 179.859 177.584 -0.047 0.000 1.171 102 A CA 2.074 54.084 52.037 -0.046 0.000 0.640 102 A CB -0.421 18.559 19.000 -0.034 0.000 0.811 102 A HN 0.413 nan 8.150 nan 0.000 0.451 103 M N -1.256 118.306 119.600 -0.064 0.000 2.398 103 M HA 0.028 4.509 4.480 0.001 0.000 0.261 103 M C 1.935 178.180 176.300 -0.092 0.000 1.125 103 M CA 2.126 57.390 55.300 -0.059 0.000 1.183 103 M CB -0.461 32.117 32.600 -0.037 0.000 1.322 103 M HN 0.384 nan 8.290 nan 0.000 0.467 104 E N 0.185 120.261 120.200 -0.207 0.000 2.047 104 E HA -0.100 4.250 4.350 0.001 0.000 0.191 104 E C 1.905 178.450 176.600 -0.092 0.000 0.987 104 E CA 1.697 57.947 56.400 -0.249 0.000 0.799 104 E CB -0.552 28.764 29.700 -0.640 0.000 0.752 104 E HN 0.316 nan 8.360 nan 0.000 0.449 105 V N 1.279 121.164 119.914 -0.048 0.000 2.255 105 V HA -0.208 3.913 4.120 0.001 0.000 0.247 105 V C -0.742 175.428 176.094 0.127 0.000 1.051 105 V CA 2.448 64.794 62.300 0.077 0.000 1.018 105 V CB -1.459 30.448 31.823 0.140 0.000 0.641 105 V HN 0.293 nan 8.190 nan 0.000 0.445 106 P HA -0.106 nan 4.420 nan 0.000 0.218 106 P C 1.775 179.092 177.300 0.028 0.000 1.149 106 P CA 2.201 65.306 63.100 0.008 0.000 0.817 106 P CB -0.157 31.508 31.700 -0.058 0.000 0.785 107 R N 0.371 120.882 120.500 0.018 0.000 2.070 107 R HA -0.120 4.220 4.340 0.001 0.000 0.232 107 R C 2.281 178.607 176.300 0.044 0.000 1.138 107 R CA 1.926 58.039 56.100 0.023 0.000 0.936 107 R CB -2.218 28.093 30.300 0.018 0.000 0.839 107 R HN 0.195 nan 8.270 nan 0.000 0.429 108 L N 0.103 121.361 121.223 0.057 0.000 2.046 108 L HA -0.082 4.259 4.340 0.001 0.000 0.208 108 L C 3.233 180.151 176.870 0.080 0.000 1.077 108 L CA 1.208 56.089 54.840 0.068 0.000 0.747 108 L CB -0.611 41.494 42.059 0.077 0.000 0.896 108 L HN 0.553 nan 8.230 nan 0.000 0.432 109 A N 0.332 123.229 122.820 0.128 0.000 1.883 109 A HA -0.284 4.036 4.320 0.001 0.000 0.217 109 A C 2.413 180.058 177.584 0.102 0.000 1.186 109 A CA 2.175 54.319 52.037 0.179 0.000 0.624 109 A CB -0.510 18.738 19.000 0.413 0.000 0.822 109 A HN 0.359 nan 8.150 nan 0.000 0.444 110 K N -0.081 120.359 120.400 0.066 0.000 2.026 110 K HA -0.213 4.107 4.320 0.001 0.000 0.208 110 K C 1.892 178.504 176.600 0.020 0.000 1.048 110 K CA 1.775 58.079 56.287 0.029 0.000 0.929 110 K CB -0.233 32.273 32.500 0.010 0.000 0.713 110 K HN 0.661 nan 8.250 nan 0.000 0.439 111 E N 0.104 120.317 120.200 0.022 0.000 2.077 111 E HA -0.195 4.155 4.350 0.001 0.000 0.193 111 E C 2.045 178.642 176.600 -0.005 0.000 0.989 111 E CA 1.156 57.562 56.400 0.010 0.000 0.800 111 E CB -0.170 29.538 29.700 0.015 0.000 0.746 111 E HN 0.446 nan 8.360 nan 0.000 0.452 112 A N 1.634 124.450 122.820 -0.006 0.000 1.898 112 A HA -0.044 4.277 4.320 0.001 0.000 0.216 112 A C 2.432 179.993 177.584 -0.038 0.000 1.181 112 A CA 1.533 53.545 52.037 -0.041 0.000 0.620 112 A CB -0.631 18.342 19.000 -0.046 0.000 0.819 112 A HN 0.281 nan 8.150 nan 0.000 0.442 113 A N 0.058 122.871 122.820 -0.012 0.000 1.902 113 A HA -0.198 4.123 4.320 0.001 0.000 0.217 113 A C 1.904 179.486 177.584 -0.003 0.000 1.181 113 A CA 1.675 53.705 52.037 -0.012 0.000 0.623 113 A CB -0.569 18.436 19.000 0.008 0.000 0.818 113 A HN 0.647 nan 8.150 nan 0.000 0.443 114 E N -0.093 120.108 120.200 0.001 0.000 2.110 114 E HA -0.199 4.151 4.350 0.001 0.000 0.193 114 E C 2.016 178.622 176.600 0.010 0.000 0.988 114 E CA 1.354 57.759 56.400 0.009 0.000 0.804 114 E CB -0.184 29.518 29.700 0.005 0.000 0.745 114 E HN 0.618 nan 8.360 nan 0.000 0.458 115 K N 0.594 120.989 120.400 -0.008 0.000 2.097 115 K HA -0.071 4.249 4.320 0.001 0.000 0.205 115 K C 2.203 178.800 176.600 -0.005 0.000 1.050 115 K CA 1.024 57.303 56.287 -0.014 0.000 0.938 115 K CB -0.080 32.395 32.500 -0.042 0.000 0.718 115 K HN 0.034 nan 8.250 nan 0.000 0.442 116 A N 1.527 124.337 122.820 -0.015 0.000 1.898 116 A HA -0.101 4.220 4.320 0.001 0.000 0.216 116 A C 2.112 179.739 177.584 0.072 0.000 1.181 116 A CA 1.118 53.149 52.037 -0.010 0.000 0.620 116 A CB -0.524 18.437 19.000 -0.065 0.000 0.819 116 A HN 0.148 nan 8.150 nan 0.000 0.442 117 I N -0.539 120.088 120.570 0.095 0.000 2.286 117 I HA -0.290 3.880 4.170 0.001 0.000 0.248 117 I C 2.789 179.029 176.117 0.206 0.000 1.115 117 I CA 1.686 63.124 61.300 0.230 0.000 1.392 117 I CB -0.338 37.767 38.000 0.175 0.000 1.065 117 I HN 0.544 nan 8.210 nan 0.000 0.418 118 Q N 1.115 120.975 119.800 0.100 0.000 2.050 118 Q HA -0.279 4.061 4.340 0.001 0.000 0.202 118 Q C 2.208 178.245 176.000 0.062 0.000 0.980 118 Q CA 1.872 57.709 55.803 0.055 0.000 0.840 118 Q CB -0.075 28.678 28.738 0.026 0.000 0.898 118 Q HN 0.467 nan 8.270 nan 0.000 0.424 119 E N -0.491 119.755 120.200 0.076 0.000 2.058 119 E HA -0.227 4.123 4.350 0.001 0.000 0.194 119 E C 1.648 178.329 176.600 0.135 0.000 0.997 119 E CA 1.343 57.787 56.400 0.074 0.000 0.801 119 E CB -0.368 29.365 29.700 0.056 0.000 0.746 119 E HN 0.537 nan 8.360 nan 0.000 0.450 120 W N 1.026 122.306 121.300 -0.035 0.000 2.342 120 W HA -0.135 4.525 4.660 0.001 0.000 0.297 120 W C 1.388 177.891 176.519 -0.026 0.000 1.213 120 W CA 2.484 59.811 57.345 -0.030 0.000 1.251 120 W CB -0.629 28.812 29.460 -0.031 0.000 1.136 120 W HN 0.315 nan 8.180 nan 0.000 0.526 121 G N 0.583 109.356 108.800 -0.044 0.000 2.168 121 G HA2 -0.274 3.687 3.960 0.001 0.000 0.257 121 G HA3 -0.274 3.687 3.960 0.001 0.000 0.257 121 G C 0.248 174.889 174.900 -0.432 0.000 0.997 121 G CA 0.612 45.593 45.100 -0.198 0.000 0.708 121 G HN 0.400 nan 8.290 nan 0.000 0.520 122 Q N -0.292 119.004 119.800 -0.840 0.000 2.306 122 Q HA 0.644 4.984 4.340 0.001 0.000 0.269 122 Q C 0.329 175.937 176.000 -0.654 0.000 1.053 122 Q CA -0.438 54.754 55.803 -1.018 0.000 0.879 122 Q CB 1.391 28.956 28.738 -1.955 0.000 1.344 122 Q HN 0.292 nan 8.270 nan 0.000 0.464 123 S N 0.456 115.912 115.700 -0.407 0.000 2.549 123 S HA -0.021 4.449 4.470 0.001 0.000 0.286 123 S C 1.049 175.629 174.600 -0.034 0.000 1.314 123 S CA -0.089 58.012 58.200 -0.165 0.000 1.062 123 S CB 0.295 63.439 63.200 -0.094 0.000 0.865 123 S HN 0.589 nan 8.310 nan 0.000 0.498 124 K N 2.583 123.005 120.400 0.038 0.000 2.442 124 K HA -0.041 4.279 4.320 0.001 0.000 0.198 124 K C 1.631 178.229 176.600 -0.005 0.000 1.042 124 K CA 1.325 57.683 56.287 0.118 0.000 0.958 124 K CB -0.318 32.202 32.500 0.034 0.000 0.766 124 K HN 0.583 nan 8.250 nan 0.000 0.474 125 S N 0.283 115.942 115.700 -0.070 0.000 2.515 125 S HA -0.003 4.467 4.470 0.001 0.000 0.231 125 S C 1.933 176.597 174.600 0.106 0.000 0.987 125 S CA 0.413 58.528 58.200 -0.142 0.000 0.936 125 S CB -0.193 63.084 63.200 0.128 0.000 0.766 125 S HN 0.494 nan 8.310 nan 0.000 0.528 126 G N 0.929 109.830 108.800 0.169 0.000 2.712 126 G HA2 0.281 4.241 3.960 0.001 0.000 0.212 126 G HA3 0.281 4.241 3.960 0.001 0.000 0.212 126 G C 0.440 175.506 174.900 0.277 0.000 1.142 126 G CA -0.396 44.861 45.100 0.262 0.000 0.789 126 G HN 0.550 nan 8.290 nan 0.000 0.535 127 I N 2.416 123.108 120.570 0.205 0.000 2.505 127 I HA 0.063 4.233 4.170 0.001 0.000 0.287 127 I C 1.808 177.959 176.117 0.057 0.000 1.104 127 I CA 0.131 61.473 61.300 0.070 0.000 1.387 127 I CB 1.453 39.455 38.000 0.003 0.000 1.404 127 I HN 0.108 nan 8.210 nan 0.000 0.528 128 T N 1.865 116.459 114.554 0.067 0.000 3.023 128 T HA 0.174 4.524 4.350 0.001 0.000 0.249 128 T C 0.682 175.258 174.700 -0.205 0.000 1.050 128 T CA 0.322 62.419 62.100 -0.005 0.000 1.088 128 T CB 0.131 69.054 68.868 0.091 0.000 0.946 128 T HN 0.499 nan 8.240 nan 0.000 0.480 129 H N -0.175 118.880 119.070 -0.024 0.000 2.928 129 H HA 0.696 5.253 4.556 0.001 0.000 0.371 129 H C -1.790 173.511 175.328 -0.044 0.000 1.186 129 H CA -1.070 54.961 56.048 -0.029 0.000 1.134 129 H CB 2.525 32.264 29.762 -0.039 0.000 1.824 129 H HN 0.098 nan 8.280 nan 0.000 0.554 130 L N 2.481 123.762 121.223 0.096 0.000 2.439 130 L HA 0.449 4.789 4.340 0.001 0.000 0.270 130 L C -1.557 175.345 176.870 0.054 0.000 0.972 130 L CA -0.292 54.579 54.840 0.051 0.000 0.836 130 L CB 1.111 43.194 42.059 0.039 0.000 1.255 130 L HN 0.516 nan 8.230 nan 0.000 0.404 131 I N 5.583 126.165 120.570 0.020 0.000 2.354 131 I HA 0.349 4.519 4.170 0.001 0.000 0.286 131 I C -1.195 174.922 176.117 0.000 0.000 1.007 131 I CA -0.395 60.893 61.300 -0.020 0.000 1.167 131 I CB 1.273 39.224 38.000 -0.081 0.000 1.320 131 I HN 0.556 nan 8.210 nan 0.000 0.458 132 F N 7.598 127.465 119.950 -0.139 0.000 2.482 132 F HA 0.600 5.128 4.527 0.001 0.000 0.331 132 F C -0.505 175.150 175.800 -0.242 0.000 1.115 132 F CA -0.639 57.286 58.000 -0.124 0.000 0.955 132 F CB 1.212 40.193 39.000 -0.033 0.000 1.136 132 F HN 0.478 nan 8.300 nan 0.000 0.452 133 C N 5.399 124.145 119.300 -0.924 0.000 2.498 133 C HA 0.877 5.337 4.460 0.001 0.000 0.316 133 C C -0.978 173.650 174.990 -0.603 0.000 1.209 133 C CA -0.104 58.517 59.018 -0.662 0.000 1.518 133 C CB 0.572 28.038 27.740 -0.456 0.000 2.147 133 C HN 0.917 nan 8.230 nan 0.000 0.483 134 S N 2.764 118.362 115.700 -0.170 0.000 2.537 134 S HA 0.405 4.876 4.470 0.001 0.000 0.271 134 S C 0.754 175.423 174.600 0.115 0.000 1.148 134 S CA -0.028 58.182 58.200 0.016 0.000 0.868 134 S CB 1.774 65.118 63.200 0.240 0.000 1.115 134 S HN 0.857 nan 8.310 nan 0.000 0.461 135 T N 2.321 116.887 114.554 0.020 0.000 2.685 135 T HA -0.015 4.335 4.350 0.001 0.000 0.268 135 T C 0.961 175.718 174.700 0.096 0.000 1.034 135 T CA 2.100 64.205 62.100 0.008 0.000 1.149 135 T CB -0.447 68.389 68.868 -0.053 0.000 0.860 135 T HN 0.966 nan 8.240 nan 0.000 0.449 136 T N -2.051 112.568 114.554 0.109 0.000 2.816 136 T HA 0.586 4.937 4.350 0.001 0.000 0.299 136 T C -1.063 173.621 174.700 -0.027 0.000 1.230 136 T CA -0.832 61.305 62.100 0.061 0.000 1.007 136 T CB 2.491 71.370 68.868 0.017 0.000 1.289 136 T HN -0.089 nan 8.240 nan 0.000 0.508 137 T N 1.580 115.990 114.554 -0.239 0.000 2.952 137 T HA 0.596 4.946 4.350 0.001 0.000 0.305 137 T C -1.799 172.750 174.700 -0.253 0.000 1.064 137 T CA -1.506 60.368 62.100 -0.378 0.000 1.008 137 T CB 1.755 69.988 68.868 -1.058 0.000 1.078 137 T HN 0.582 nan 8.240 nan 0.000 0.459 138 P HA 0.123 nan 4.420 nan 0.000 0.217 138 P C -0.221 177.012 177.300 -0.111 0.000 1.151 138 P CA 1.021 64.055 63.100 -0.109 0.000 0.828 138 P CB 0.454 32.111 31.700 -0.073 0.000 0.788 139 D N -0.785 119.536 120.400 -0.133 0.000 2.846 139 D HA 0.503 5.143 4.640 0.001 0.000 0.273 139 D C -0.518 175.705 176.300 -0.128 0.000 1.145 139 D CA -0.481 53.453 54.000 -0.110 0.000 1.091 139 D CB 0.696 41.446 40.800 -0.084 0.000 1.364 139 D HN -0.133 nan 8.370 nan 0.000 0.613 140 L N 0.857 122.018 121.223 -0.105 0.000 2.406 140 L HA 0.404 4.744 4.340 0.001 0.000 0.272 140 L C -2.333 174.453 176.870 -0.139 0.000 0.980 140 L CA -1.205 53.573 54.840 -0.104 0.000 0.831 140 L CB 1.211 43.224 42.059 -0.078 0.000 1.253 140 L HN 0.117 nan 8.230 nan 0.000 0.406 141 P HA 0.324 nan 4.420 nan 0.000 0.269 141 P C 0.234 177.490 177.300 -0.073 0.000 1.217 141 P CA -0.405 62.598 63.100 -0.161 0.000 0.783 141 P CB 0.494 31.973 31.700 -0.368 0.000 0.898 142 G N -0.146 108.655 108.800 0.002 0.000 2.651 142 G HA2 0.332 4.292 3.960 0.001 0.000 0.260 142 G HA3 0.332 4.292 3.960 0.001 0.000 0.260 142 G C 0.967 175.872 174.900 0.008 0.000 1.216 142 G CA -0.118 44.950 45.100 -0.054 0.000 0.913 142 G HN 0.559 nan 8.290 nan 0.000 0.535 143 A N -0.244 122.538 122.820 -0.063 0.000 2.125 143 A HA -0.073 4.247 4.320 0.001 0.000 0.219 143 A C 1.994 179.286 177.584 -0.487 0.000 1.156 143 A CA 1.992 53.900 52.037 -0.215 0.000 0.671 143 A CB -0.440 18.442 19.000 -0.196 0.000 0.794 143 A HN 0.755 nan 8.150 nan 0.000 0.459 144 D N -0.834 119.430 120.400 -0.226 0.000 2.144 144 D HA -0.221 4.420 4.640 0.001 0.000 0.199 144 D C 1.739 177.973 176.300 -0.110 0.000 0.984 144 D CA 1.239 55.096 54.000 -0.239 0.000 0.834 144 D CB -0.609 40.257 40.800 0.109 0.000 0.955 144 D HN 0.467 nan 8.370 nan 0.000 0.465 145 F N 1.992 121.870 119.950 -0.119 0.000 2.102 145 F HA -0.140 4.388 4.527 0.001 0.000 0.298 145 F C 2.451 178.185 175.800 -0.110 0.000 1.105 145 F CA 1.700 59.651 58.000 -0.083 0.000 1.239 145 F CB -0.145 38.824 39.000 -0.052 0.000 0.991 145 F HN -0.156 nan 8.300 nan 0.000 0.474 146 E N 0.175 120.359 120.200 -0.027 0.000 2.110 146 E HA -0.142 4.208 4.350 0.001 0.000 0.193 146 E C 2.074 178.548 176.600 -0.208 0.000 0.988 146 E CA 1.623 57.955 56.400 -0.113 0.000 0.804 146 E CB -0.592 29.081 29.700 -0.046 0.000 0.745 146 E HN 0.286 nan 8.360 nan 0.000 0.458 147 V N 0.786 120.537 119.914 -0.271 0.000 2.295 147 V HA -0.250 3.870 4.120 0.001 0.000 0.246 147 V C 2.395 178.381 176.094 -0.181 0.000 1.049 147 V CA 1.841 64.002 62.300 -0.232 0.000 1.024 147 V CB -1.014 30.609 31.823 -0.332 0.000 0.648 147 V HN 0.461 nan 8.190 nan 0.000 0.447 148 A N -0.291 122.401 122.820 -0.215 0.000 1.940 148 A HA -0.287 4.034 4.320 0.001 0.000 0.219 148 A C 2.343 179.790 177.584 -0.228 0.000 1.176 148 A CA 2.293 54.213 52.037 -0.196 0.000 0.631 148 A CB -0.477 18.397 19.000 -0.211 0.000 0.814 148 A HN 0.561 nan 8.150 nan 0.000 0.446 149 K N -0.235 119.975 120.400 -0.317 0.000 2.001 149 K HA -0.022 4.298 4.320 0.001 0.000 0.208 149 K C 1.849 178.354 176.600 -0.157 0.000 1.048 149 K CA 1.292 57.411 56.287 -0.279 0.000 0.932 149 K CB -0.322 31.970 32.500 -0.348 0.000 0.715 149 K HN 0.457 nan 8.250 nan 0.000 0.437 150 L N 1.033 122.176 121.223 -0.132 0.000 2.191 150 L HA -0.157 4.184 4.340 0.001 0.000 0.212 150 L C 2.103 178.933 176.870 -0.066 0.000 1.103 150 L CA 0.867 55.658 54.840 -0.081 0.000 0.769 150 L CB -0.201 41.819 42.059 -0.065 0.000 0.908 150 L HN 0.247 nan 8.230 nan 0.000 0.438 151 L N -0.597 120.579 121.223 -0.078 0.000 2.558 151 L HA 0.166 4.506 4.340 0.001 0.000 0.225 151 L C 1.305 178.133 176.870 -0.069 0.000 1.128 151 L CA 0.321 55.125 54.840 -0.060 0.000 0.868 151 L CB -0.328 41.699 42.059 -0.054 0.000 1.006 151 L HN 0.413 nan 8.230 nan 0.000 0.454 152 G N 1.333 110.082 108.800 -0.084 0.000 2.295 152 G HA2 -0.273 3.687 3.960 0.001 0.000 0.287 152 G HA3 -0.273 3.687 3.960 0.001 0.000 0.287 152 G C 0.109 174.948 174.900 -0.102 0.000 1.055 152 G CA -0.051 45.001 45.100 -0.080 0.000 0.922 152 G HN 0.230 nan 8.290 nan 0.000 0.503 153 L N 0.252 121.405 121.223 -0.115 0.000 2.453 153 L HA 0.392 4.733 4.340 0.001 0.000 0.261 153 L C 1.270 178.092 176.870 -0.080 0.000 1.179 153 L CA -1.312 53.444 54.840 -0.140 0.000 0.813 153 L CB 0.390 42.386 42.059 -0.104 0.000 1.110 153 L HN 0.187 nan 8.230 nan 0.000 0.466 154 H N 2.574 121.626 119.070 -0.030 0.000 2.948 154 H HA 0.004 4.560 4.556 0.001 0.000 0.351 154 H C -1.433 173.871 175.328 -0.041 0.000 1.079 154 H CA -1.661 54.370 56.048 -0.029 0.000 1.407 154 H CB 0.276 30.029 29.762 -0.016 0.000 1.373 154 H HN 0.376 nan 8.280 nan 0.000 0.605 155 P HA -0.104 nan 4.420 nan 0.000 0.225 155 P C 0.865 178.189 177.300 0.039 0.000 1.148 155 P CA 1.097 64.223 63.100 0.042 0.000 0.779 155 P CB 0.277 31.998 31.700 0.036 0.000 0.780 156 S N -1.488 114.239 115.700 0.045 0.000 2.593 156 S HA 0.082 4.552 4.470 0.001 0.000 0.217 156 S C 0.825 175.420 174.600 -0.009 0.000 0.966 156 S CA -0.397 57.811 58.200 0.014 0.000 0.914 156 S CB -0.998 62.199 63.200 -0.005 0.000 0.776 156 S HN -0.128 nan 8.310 nan 0.000 0.523 157 V N 3.087 123.004 119.914 0.005 0.000 2.529 157 V HA 0.093 4.213 4.120 0.001 0.000 0.292 157 V C 0.403 176.457 176.094 -0.066 0.000 1.028 157 V CA -0.005 62.269 62.300 -0.045 0.000 1.074 157 V CB 0.162 31.971 31.823 -0.024 0.000 0.958 157 V HN 0.417 nan 8.190 nan 0.000 0.481 158 K N 6.588 126.893 120.400 -0.159 0.000 2.316 158 K HA 0.406 4.727 4.320 0.001 0.000 0.289 158 K C -0.079 176.519 176.600 -0.003 0.000 1.070 158 K CA -0.178 56.049 56.287 -0.101 0.000 0.928 158 K CB 0.692 33.073 32.500 -0.198 0.000 1.039 158 K HN 0.594 nan 8.250 nan 0.000 0.480 159 R N 1.304 121.825 120.500 0.034 0.000 2.787 159 R HA 0.622 4.962 4.340 0.001 0.000 0.271 159 R C -1.035 175.302 176.300 0.062 0.000 0.993 159 R CA -1.077 55.058 56.100 0.059 0.000 0.993 159 R CB 1.984 32.327 30.300 0.071 0.000 1.155 159 R HN 0.284 nan 8.270 nan 0.000 0.486 160 V N 0.571 120.514 119.914 0.049 0.000 2.711 160 V HA 0.621 4.741 4.120 0.001 0.000 0.304 160 V C -0.847 175.220 176.094 -0.045 0.000 1.097 160 V CA -0.377 61.929 62.300 0.010 0.000 0.906 160 V CB 2.000 33.814 31.823 -0.014 0.000 1.015 160 V HN 0.899 nan 8.190 nan 0.000 0.427 161 G N 4.587 113.327 108.800 -0.099 0.000 2.356 161 G HA2 0.580 4.540 3.960 0.001 0.000 0.322 161 G HA3 0.580 4.540 3.960 0.001 0.000 0.322 161 G C -0.983 173.437 174.900 -0.800 0.000 1.125 161 G CA -0.468 44.357 45.100 -0.458 0.000 0.885 161 G HN 0.934 nan 8.290 nan 0.000 0.467 162 V N 3.168 122.465 119.914 -1.028 0.000 2.257 162 V HA 0.389 4.510 4.120 0.001 0.000 0.269 162 V C -0.757 174.874 176.094 -0.773 0.000 1.040 162 V CA -0.464 61.341 62.300 -0.825 0.000 0.813 162 V CB -0.639 30.767 31.823 -0.696 0.000 1.065 162 V HN 0.552 nan 8.190 nan 0.000 0.457 163 F N 1.403 121.388 119.950 0.057 0.000 2.507 163 F HA 0.487 5.014 4.527 0.001 0.000 0.327 163 F C 1.060 176.986 175.800 0.210 0.000 1.068 163 F CA -0.889 57.175 58.000 0.107 0.000 0.965 163 F CB 1.532 40.587 39.000 0.092 0.000 1.192 163 F HN 0.340 nan 8.300 nan 0.000 0.476 164 Q N 0.125 120.096 119.800 0.286 0.000 2.461 164 Q HA -0.276 4.064 4.340 0.001 0.000 0.273 164 Q C 0.165 176.189 176.000 0.040 0.000 1.163 164 Q CA 0.604 56.485 55.803 0.130 0.000 0.929 164 Q CB -1.288 27.515 28.738 0.109 0.000 1.334 164 Q HN 0.749 nan 8.270 nan 0.000 0.499 165 H N -1.551 117.422 119.070 -0.162 0.000 2.388 165 H HA 0.317 4.873 4.556 0.001 0.000 0.304 165 H C 1.458 176.373 175.328 -0.688 0.000 1.049 165 H CA 1.653 57.491 56.048 -0.349 0.000 1.371 165 H CB 0.440 29.959 29.762 -0.405 0.000 1.436 165 H HN 0.543 nan 8.280 nan 0.000 0.544 166 G N -0.888 107.650 108.800 -0.436 0.000 2.416 166 G HA2 -0.250 3.710 3.960 0.001 0.000 0.203 166 G HA3 -0.250 3.710 3.960 0.001 0.000 0.203 166 G C 1.046 175.610 174.900 -0.559 0.000 1.227 166 G CA -0.270 44.555 45.100 -0.458 0.000 1.041 166 G HN 0.358 nan 8.290 nan 0.000 0.546 167 C N 0.803 119.832 119.300 -0.451 0.000 2.422 167 C HA 0.127 4.588 4.460 0.001 0.000 0.286 167 C C 2.440 177.101 174.990 -0.548 0.000 1.412 167 C CA 1.836 60.560 59.018 -0.491 0.000 1.786 167 C CB -2.167 25.332 27.740 -0.401 0.000 1.835 167 C HN 0.603 nan 8.230 nan 0.000 0.533 168 F N 0.530 120.323 119.950 -0.261 0.000 2.776 168 F HA 0.453 4.981 4.527 0.001 0.000 0.300 168 F C 1.906 177.598 175.800 -0.179 0.000 1.116 168 F CA 0.234 58.103 58.000 -0.219 0.000 1.375 168 F CB -1.108 37.842 39.000 -0.083 0.000 1.109 168 F HN -0.007 nan 8.300 nan 0.000 0.585 169 A N 1.355 123.941 122.820 -0.390 0.000 2.178 169 A HA 0.097 4.417 4.320 0.001 0.000 0.218 169 A C 2.407 179.890 177.584 -0.168 0.000 1.157 169 A CA 1.218 53.107 52.037 -0.247 0.000 0.689 169 A CB -1.619 17.150 19.000 -0.385 0.000 0.787 169 A HN 0.523 nan 8.150 nan 0.000 0.465 170 G N -0.531 108.136 108.800 -0.222 0.000 2.422 170 G HA2 0.065 4.026 3.960 0.001 0.000 0.218 170 G HA3 0.065 4.026 3.960 0.001 0.000 0.218 170 G C 1.369 176.207 174.900 -0.104 0.000 1.140 170 G CA 1.131 46.052 45.100 -0.298 0.000 0.775 170 G HN 0.622 nan 8.290 nan 0.000 0.545 171 G N 0.098 108.857 108.800 -0.069 0.000 2.411 171 G HA2 -0.033 3.927 3.960 0.001 0.000 0.213 171 G HA3 -0.033 3.927 3.960 0.001 0.000 0.213 171 G C 1.801 176.693 174.900 -0.013 0.000 1.166 171 G CA 1.460 46.538 45.100 -0.035 0.000 0.802 171 G HN 0.324 nan 8.290 nan 0.000 0.533 172 T N 1.657 116.232 114.554 0.035 0.000 2.665 172 T HA -0.208 4.142 4.350 0.001 0.000 0.268 172 T C 2.683 177.352 174.700 -0.053 0.000 1.035 172 T CA 2.140 64.255 62.100 0.025 0.000 1.151 172 T CB -0.577 68.345 68.868 0.091 0.000 0.862 172 T HN 0.334 nan 8.240 nan 0.000 0.438 173 V N 0.080 119.953 119.914 -0.069 0.000 2.626 173 V HA -0.010 4.111 4.120 0.001 0.000 0.252 173 V C 2.237 178.286 176.094 -0.074 0.000 1.067 173 V CA 1.338 63.584 62.300 -0.089 0.000 1.081 173 V CB -1.130 30.642 31.823 -0.085 0.000 0.686 173 V HN 0.426 nan 8.190 nan 0.000 0.468 174 L N 0.003 121.201 121.223 -0.042 0.000 2.131 174 L HA -0.010 4.330 4.340 0.001 0.000 0.206 174 L C 2.953 179.777 176.870 -0.077 0.000 1.087 174 L CA 1.926 56.730 54.840 -0.059 0.000 0.767 174 L CB -0.561 41.477 42.059 -0.035 0.000 0.917 174 L HN 0.311 nan 8.230 nan 0.000 0.441 175 R N 0.473 120.923 120.500 -0.084 0.000 2.091 175 R HA -0.177 4.164 4.340 0.001 0.000 0.238 175 R C 2.243 178.483 176.300 -0.101 0.000 1.136 175 R CA 1.604 57.640 56.100 -0.107 0.000 0.959 175 R CB -0.138 30.092 30.300 -0.117 0.000 0.856 175 R HN 0.254 nan 8.270 nan 0.000 0.437 176 M N -0.148 119.396 119.600 -0.094 0.000 2.156 176 M HA -0.002 4.479 4.480 0.001 0.000 0.264 176 M C 2.489 178.725 176.300 -0.107 0.000 1.067 176 M CA 1.594 56.836 55.300 -0.097 0.000 1.131 176 M CB -0.152 32.388 32.600 -0.100 0.000 1.368 176 M HN 0.326 nan 8.290 nan 0.000 0.416 177 A N 0.649 123.403 122.820 -0.109 0.000 1.940 177 A HA -0.218 4.103 4.320 0.001 0.000 0.219 177 A C 2.149 179.666 177.584 -0.111 0.000 1.176 177 A CA 2.011 53.976 52.037 -0.121 0.000 0.631 177 A CB -0.711 18.216 19.000 -0.121 0.000 0.814 177 A HN 0.477 nan 8.150 nan 0.000 0.446 178 K N -0.390 119.960 120.400 -0.085 0.000 2.009 178 K HA -0.224 4.097 4.320 0.001 0.000 0.210 178 K C 1.308 177.864 176.600 -0.074 0.000 1.049 178 K CA 1.874 58.127 56.287 -0.056 0.000 0.929 178 K CB -0.267 32.213 32.500 -0.033 0.000 0.714 178 K HN 0.367 nan 8.250 nan 0.000 0.440 179 D N 0.641 120.988 120.400 -0.090 0.000 2.144 179 D HA -0.131 4.509 4.640 0.001 0.000 0.200 179 D C 1.975 178.202 176.300 -0.122 0.000 0.978 179 D CA 0.732 54.675 54.000 -0.096 0.000 0.833 179 D CB -0.077 40.669 40.800 -0.091 0.000 0.961 179 D HN 0.126 nan 8.370 nan 0.000 0.470 180 L N 0.995 122.122 121.223 -0.159 0.000 2.005 180 L HA -0.075 4.265 4.340 0.001 0.000 0.207 180 L C 2.393 179.100 176.870 -0.272 0.000 1.072 180 L CA 1.498 56.185 54.840 -0.256 0.000 0.744 180 L CB -0.888 40.970 42.059 -0.335 0.000 0.895 180 L HN -0.050 nan 8.230 nan 0.000 0.433 181 A N -1.177 121.519 122.820 -0.207 0.000 1.898 181 A HA -0.200 4.120 4.320 0.001 0.000 0.216 181 A C 2.211 179.733 177.584 -0.103 0.000 1.181 181 A CA 1.645 53.591 52.037 -0.152 0.000 0.620 181 A CB -0.495 18.439 19.000 -0.109 0.000 0.819 181 A HN 0.501 nan 8.150 nan 0.000 0.442 182 E N -0.875 119.270 120.200 -0.092 0.000 2.208 182 E HA -0.128 4.222 4.350 0.001 0.000 0.193 182 E C 1.289 177.835 176.600 -0.090 0.000 0.988 182 E CA 0.940 57.289 56.400 -0.085 0.000 0.828 182 E CB -0.078 29.570 29.700 -0.085 0.000 0.763 182 E HN 0.604 nan 8.360 nan 0.000 0.478 183 N N 0.411 119.053 118.700 -0.097 0.000 2.336 183 N HA 0.007 4.748 4.740 0.001 0.000 0.189 183 N C -0.874 174.587 175.510 -0.081 0.000 1.113 183 N CA 0.128 53.124 53.050 -0.090 0.000 0.858 183 N CB 0.500 38.934 38.487 -0.089 0.000 0.970 183 N HN -0.046 nan 8.380 nan 0.000 0.471 184 N N 0.858 119.514 118.700 -0.074 0.000 2.576 184 N HA 0.084 4.825 4.740 0.001 0.000 0.269 184 N C -1.200 174.303 175.510 -0.011 0.000 1.058 184 N CA -0.416 52.614 53.050 -0.033 0.000 0.860 184 N CB 1.681 40.166 38.487 -0.002 0.000 1.249 184 N HN 0.168 nan 8.380 nan 0.000 0.525 185 R N 0.649 121.145 120.500 -0.007 0.000 2.504 185 R HA 0.074 4.415 4.340 0.001 0.000 0.291 185 R C 1.119 177.442 176.300 0.038 0.000 0.974 185 R CA 1.684 57.789 56.100 0.009 0.000 1.077 185 R CB -0.032 30.273 30.300 0.009 0.000 0.926 185 R HN 0.821 nan 8.270 nan 0.000 0.407 186 G N 2.148 110.974 108.800 0.043 0.000 2.205 186 G HA2 -0.350 3.611 3.960 0.001 0.000 0.261 186 G HA3 -0.350 3.611 3.960 0.001 0.000 0.261 186 G C 0.163 175.116 174.900 0.088 0.000 0.980 186 G CA 0.160 45.301 45.100 0.069 0.000 0.632 186 G HN 0.959 nan 8.290 nan 0.000 0.533 187 A N 0.409 123.274 122.820 0.074 0.000 2.511 187 A HA 0.614 4.934 4.320 0.001 0.000 0.242 187 A C 0.658 178.273 177.584 0.051 0.000 1.069 187 A CA 0.407 52.505 52.037 0.102 0.000 0.763 187 A CB 0.263 19.286 19.000 0.038 0.000 1.001 187 A HN 0.352 nan 8.150 nan 0.000 0.498 188 R N 2.284 122.825 120.500 0.069 0.000 2.435 188 R HA 0.400 4.740 4.340 0.001 0.000 0.308 188 R C -1.403 174.839 176.300 -0.097 0.000 0.975 188 R CA -0.512 55.550 56.100 -0.064 0.000 0.867 188 R CB 1.372 31.636 30.300 -0.060 0.000 1.171 188 R HN 0.464 nan 8.270 nan 0.000 0.470 189 V N 4.647 124.469 119.914 -0.154 0.000 2.407 189 V HA 0.269 4.389 4.120 0.001 0.000 0.278 189 V C 0.137 176.115 176.094 -0.192 0.000 1.037 189 V CA -0.910 61.316 62.300 -0.123 0.000 0.900 189 V CB 1.496 33.237 31.823 -0.137 0.000 0.983 189 V HN 0.452 nan 8.190 nan 0.000 0.459 190 L N 7.458 128.596 121.223 -0.142 0.000 2.260 190 L HA 0.544 4.885 4.340 0.001 0.000 0.289 190 L C -0.293 176.515 176.870 -0.103 0.000 1.057 190 L CA 0.407 55.156 54.840 -0.152 0.000 0.811 190 L CB 1.197 43.194 42.059 -0.103 0.000 1.184 190 L HN 0.451 nan 8.230 nan 0.000 0.429 191 V N 7.099 126.929 119.914 -0.141 0.000 2.417 191 V HA 0.541 4.661 4.120 0.001 0.000 0.291 191 V C 0.059 176.072 176.094 -0.135 0.000 1.024 191 V CA -0.419 61.797 62.300 -0.139 0.000 0.861 191 V CB 1.478 33.185 31.823 -0.194 0.000 0.985 191 V HN 0.634 nan 8.190 nan 0.000 0.436 192 I N 3.644 124.144 120.570 -0.116 0.000 2.619 192 I HA 0.508 4.678 4.170 0.001 0.000 0.292 192 I C -0.921 175.006 176.117 -0.317 0.000 1.100 192 I CA -0.261 60.958 61.300 -0.134 0.000 1.043 192 I CB 2.285 40.300 38.000 0.024 0.000 1.239 192 I HN 0.502 nan 8.210 nan 0.000 0.420 193 C N 3.464 122.636 119.300 -0.213 0.000 2.340 193 C HA 0.649 5.110 4.460 0.001 0.000 0.323 193 C C 0.155 175.031 174.990 -0.189 0.000 1.260 193 C CA -0.515 58.349 59.018 -0.257 0.000 1.464 193 C CB 1.075 28.767 27.740 -0.081 0.000 2.156 193 C HN 0.757 nan 8.230 nan 0.000 0.476 194 S N 3.174 118.717 115.700 -0.262 0.000 2.707 194 S HA 0.594 5.064 4.470 0.001 0.000 0.303 194 S C -1.100 173.479 174.600 -0.035 0.000 1.132 194 S CA -0.326 57.835 58.200 -0.066 0.000 1.046 194 S CB 0.434 63.675 63.200 0.067 0.000 1.004 194 S HN 0.764 nan 8.310 nan 0.000 0.483 195 E N 2.099 122.294 120.200 -0.009 0.000 2.293 195 E HA 0.521 4.871 4.350 0.001 0.000 0.270 195 E C -0.923 175.692 176.600 0.025 0.000 0.879 195 E CA -0.693 55.700 56.400 -0.013 0.000 0.756 195 E CB 2.093 31.757 29.700 -0.060 0.000 1.208 195 E HN 0.508 nan 8.360 nan 0.000 0.428 196 T N -0.465 114.111 114.554 0.036 0.000 2.993 196 T HA 0.209 4.559 4.350 0.001 0.000 0.312 196 T C 0.483 175.252 174.700 0.116 0.000 1.115 196 T CA -0.419 61.730 62.100 0.082 0.000 1.027 196 T CB 1.065 69.965 68.868 0.053 0.000 1.116 196 T HN 0.467 nan 8.240 nan 0.000 0.464 197 T N 1.543 116.208 114.554 0.186 0.000 3.215 197 T HA 0.210 4.560 4.350 0.001 0.000 0.254 197 T C 2.085 176.964 174.700 0.299 0.000 1.149 197 T CA 0.638 62.895 62.100 0.262 0.000 1.042 197 T CB -0.305 68.770 68.868 0.344 0.000 0.966 197 T HN 0.680 nan 8.240 nan 0.000 0.534 198 A N 0.915 123.880 122.820 0.243 0.000 1.978 198 A HA 0.035 4.356 4.320 0.001 0.000 0.220 198 A C 2.382 180.093 177.584 0.213 0.000 1.170 198 A CA 1.473 53.658 52.037 0.246 0.000 0.636 198 A CB -0.818 18.288 19.000 0.177 0.000 0.810 198 A HN 0.513 nan 8.150 nan 0.000 0.448 199 V N -0.111 119.910 119.914 0.178 0.000 3.650 199 V HA -0.005 4.116 4.120 0.001 0.000 0.271 199 V C 2.072 178.290 176.094 0.208 0.000 1.281 199 V CA 2.143 64.536 62.300 0.156 0.000 1.120 199 V CB -0.096 31.785 31.823 0.098 0.000 0.856 199 V HN 0.811 nan 8.190 nan 0.000 0.443 200 T N -3.427 111.301 114.554 0.290 0.000 2.969 200 T HA 0.212 4.563 4.350 0.001 0.000 0.250 200 T C 0.530 175.500 174.700 0.450 0.000 1.021 200 T CA -0.187 62.152 62.100 0.399 0.000 1.003 200 T CB -0.283 68.860 68.868 0.458 0.000 1.040 200 T HN 0.244 nan 8.240 nan 0.000 0.492 201 F N 4.760 124.881 119.950 0.285 0.000 2.572 201 F HA 0.447 4.975 4.527 0.001 0.000 0.370 201 F C 0.536 176.466 175.800 0.217 0.000 1.103 201 F CA -0.522 57.645 58.000 0.278 0.000 1.286 201 F CB 0.422 39.580 39.000 0.263 0.000 1.105 201 F HN 0.460 nan 8.300 nan 0.000 0.583 202 R N 3.776 124.075 120.500 -0.335 0.000 2.774 202 R HA 0.539 4.879 4.340 0.001 0.000 0.279 202 R C -0.869 175.273 176.300 -0.263 0.000 1.022 202 R CA -0.774 55.235 56.100 -0.151 0.000 0.855 202 R CB 0.142 30.422 30.300 -0.034 0.000 1.279 202 R HN 0.877 nan 8.270 nan 0.000 0.485 203 G N 1.213 109.933 108.800 -0.134 0.000 2.594 203 G HA2 0.396 4.356 3.960 0.001 0.000 0.243 203 G HA3 0.396 4.356 3.960 0.001 0.000 0.243 203 G C -2.105 172.725 174.900 -0.117 0.000 1.229 203 G CA -1.032 43.911 45.100 -0.262 0.000 0.843 203 G HN 0.557 nan 8.290 nan 0.000 0.578 204 P HA 0.259 nan 4.420 nan 0.000 0.276 204 P C -0.641 176.382 177.300 -0.463 0.000 1.252 204 P CA -0.282 62.624 63.100 -0.323 0.000 0.802 204 P CB 1.728 33.130 31.700 -0.498 0.000 1.035 205 S N -0.716 114.689 115.700 -0.492 0.000 2.775 205 S HA 0.422 4.892 4.470 0.001 0.000 0.277 205 S C 1.064 175.489 174.600 -0.291 0.000 1.156 205 S CA -0.002 57.823 58.200 -0.625 0.000 1.081 205 S CB 0.146 62.515 63.200 -1.384 0.000 1.054 205 S HN 0.428 nan 8.310 nan 0.000 0.482 206 E N 2.006 122.087 120.200 -0.198 0.000 2.219 206 E HA -0.156 4.194 4.350 0.001 0.000 0.198 206 E C 1.503 178.015 176.600 -0.146 0.000 0.998 206 E CA 2.028 58.361 56.400 -0.112 0.000 0.818 206 E CB -1.064 28.589 29.700 -0.079 0.000 0.741 206 E HN 0.913 nan 8.360 nan 0.000 0.477 207 T N -2.969 111.440 114.554 -0.241 0.000 3.163 207 T HA 0.258 4.609 4.350 0.001 0.000 0.252 207 T C 0.363 174.692 174.700 -0.619 0.000 1.056 207 T CA -0.038 61.843 62.100 -0.364 0.000 0.947 207 T CB -0.214 68.417 68.868 -0.395 0.000 1.016 207 T HN 0.532 nan 8.240 nan 0.000 0.554 212 L N 2.684 123.982 121.223 0.126 0.000 2.023 212 L HA 0.165 4.506 4.340 0.001 0.000 0.205 212 L C 2.067 179.070 176.870 0.222 0.000 1.073 212 L CA 1.880 56.821 54.840 0.169 0.000 0.745 212 L CB -0.721 41.452 42.059 0.189 0.000 0.900 212 L HN 0.208 nan 8.230 nan 0.000 0.435 213 V N 0.461 120.475 119.914 0.167 0.000 2.317 213 V HA -0.312 3.809 4.120 0.001 0.000 0.251 213 V C 2.645 178.688 176.094 -0.085 0.000 1.065 213 V CA 1.932 64.273 62.300 0.067 0.000 1.049 213 V CB -1.873 29.977 31.823 0.046 0.000 0.651 213 V HN 0.659 nan 8.190 nan 0.000 0.450 214 G N -0.785 107.945 108.800 -0.116 0.000 2.469 214 G HA2 -0.290 3.671 3.960 0.001 0.000 0.220 214 G HA3 -0.290 3.671 3.960 0.001 0.000 0.220 214 G C 1.419 175.854 174.900 -0.775 0.000 1.136 214 G CA 0.731 45.284 45.100 -0.913 0.000 0.759 214 G HN 0.500 nan 8.290 nan 0.000 0.562 215 Q N 0.172 119.886 119.800 -0.142 0.000 2.364 215 Q HA 0.090 4.431 4.340 0.001 0.000 0.207 215 Q C 2.580 178.549 176.000 -0.052 0.000 0.970 215 Q CA 1.132 56.874 55.803 -0.103 0.000 0.888 215 Q CB -0.281 28.310 28.738 -0.246 0.000 0.951 215 Q HN 0.534 nan 8.270 nan 0.000 0.469 216 A N -0.608 122.186 122.820 -0.044 0.000 2.169 216 A HA 0.157 4.477 4.320 0.001 0.000 0.210 216 A C 1.845 179.301 177.584 -0.213 0.000 1.168 216 A CA 0.156 52.112 52.037 -0.136 0.000 0.813 216 A CB 0.134 18.953 19.000 -0.302 0.000 0.861 216 A HN 0.259 nan 8.150 nan 0.000 0.481 217 L N -1.707 119.364 121.223 -0.253 0.000 2.445 217 L HA 0.287 4.628 4.340 0.001 0.000 0.207 217 L C -0.071 176.822 176.870 0.037 0.000 1.053 217 L CA -0.273 54.482 54.840 -0.143 0.000 0.841 217 L CB -0.456 41.532 42.059 -0.118 0.000 1.074 217 L HN 0.152 nan 8.230 nan 0.000 0.479 218 F N 1.788 121.692 119.950 -0.077 0.000 2.578 218 F HA 0.442 4.970 4.527 0.001 0.000 0.376 218 F C 0.995 176.775 175.800 -0.034 0.000 1.085 218 F CA -0.843 57.117 58.000 -0.067 0.000 1.260 218 F CB -0.362 38.585 39.000 -0.089 0.000 1.095 218 F HN -0.135 nan 8.300 nan 0.000 0.573 219 G N 1.667 110.570 108.800 0.171 0.000 2.730 219 G HA2 0.544 4.505 3.960 0.001 0.000 0.289 219 G HA3 0.544 4.505 3.960 0.001 0.000 0.289 219 G C -1.733 173.228 174.900 0.102 0.000 1.341 219 G CA -0.848 44.319 45.100 0.111 0.000 0.932 219 G HN 0.372 nan 8.290 nan 0.000 0.481 220 D N -0.997 119.485 120.400 0.136 0.000 2.181 220 D HA 0.719 5.360 4.640 0.001 0.000 0.248 220 D C 0.454 176.817 176.300 0.105 0.000 1.020 220 D CA 0.427 54.504 54.000 0.129 0.000 0.891 220 D CB 1.795 42.706 40.800 0.185 0.000 1.187 220 D HN 0.828 nan 8.370 nan 0.000 0.443 221 G N -1.022 107.819 108.800 0.069 0.000 2.340 221 G HA2 0.614 4.574 3.960 0.001 0.000 0.298 221 G HA3 0.614 4.574 3.960 0.001 0.000 0.298 221 G C -1.948 173.027 174.900 0.125 0.000 1.498 221 G CA -0.342 44.808 45.100 0.084 0.000 0.847 221 G HN 0.588 nan 8.290 nan 0.000 0.594 222 A N -0.236 122.714 122.820 0.216 0.000 2.449 222 A HA 0.987 5.308 4.320 0.001 0.000 0.302 222 A C -0.035 177.628 177.584 0.132 0.000 1.048 222 A CA 0.190 52.314 52.037 0.145 0.000 0.708 222 A CB 1.775 20.824 19.000 0.081 0.000 1.274 222 A HN 2.285 nan 8.150 nan 0.000 0.410 223 S N 0.272 116.018 115.700 0.076 0.000 2.568 223 S HA 0.933 5.404 4.470 0.001 0.000 0.293 223 S C -0.471 174.090 174.600 -0.065 0.000 1.089 223 S CA -0.111 58.066 58.200 -0.038 0.000 0.945 223 S CB 1.896 65.177 63.200 0.135 0.000 1.077 223 S HN 2.310 nan 8.310 nan 0.000 0.485 224 A N 1.866 124.604 122.820 -0.137 0.000 2.486 224 A HA 0.822 5.142 4.320 0.001 0.000 0.300 224 A C -1.257 176.212 177.584 -0.192 0.000 1.048 224 A CA -0.865 51.088 52.037 -0.141 0.000 0.696 224 A CB 1.012 19.957 19.000 -0.091 0.000 1.278 224 A HN 0.926 nan 8.150 nan 0.000 0.405 225 L N 1.937 123.027 121.223 -0.222 0.000 2.376 225 L HA 0.659 4.999 4.340 0.001 0.000 0.258 225 L C -1.030 175.693 176.870 -0.246 0.000 1.013 225 L CA -0.887 53.812 54.840 -0.235 0.000 0.822 225 L CB 1.972 43.852 42.059 -0.297 0.000 1.388 225 L HN 0.458 nan 8.230 nan 0.000 0.413 226 I N 2.388 122.791 120.570 -0.279 0.000 2.389 226 I HA 0.477 4.647 4.170 0.001 0.000 0.288 226 I C -0.445 175.478 176.117 -0.323 0.000 0.999 226 I CA -0.483 60.561 61.300 -0.427 0.000 1.129 226 I CB 1.925 39.478 38.000 -0.744 0.000 1.288 226 I HN 0.208 nan 8.210 nan 0.000 0.444 227 V N 5.143 124.890 119.914 -0.278 0.000 2.604 227 V HA 0.957 5.077 4.120 0.001 0.000 0.305 227 V C 0.255 176.253 176.094 -0.160 0.000 1.043 227 V CA -0.416 61.776 62.300 -0.180 0.000 0.888 227 V CB 1.992 33.727 31.823 -0.146 0.000 0.995 227 V HN 0.958 nan 8.190 nan 0.000 0.429 228 G N 2.316 111.060 108.800 -0.093 0.000 2.667 228 G HA2 0.725 4.685 3.960 0.001 0.000 0.294 228 G HA3 0.725 4.685 3.960 0.001 0.000 0.294 228 G C -1.160 173.737 174.900 -0.004 0.000 1.467 228 G CA -0.005 45.063 45.100 -0.053 0.000 0.852 228 G HN 1.030 nan 8.290 nan 0.000 0.521 229 A N 0.514 123.335 122.820 0.002 0.000 2.269 229 A HA 0.745 5.065 4.320 0.001 0.000 0.319 229 A C 0.088 177.692 177.584 0.033 0.000 1.110 229 A CA 0.061 52.111 52.037 0.021 0.000 0.847 229 A CB 0.336 19.333 19.000 -0.005 0.000 1.161 229 A HN 1.250 nan 8.150 nan 0.000 0.497 230 D N -0.067 120.357 120.400 0.040 0.000 2.927 230 D HA -0.101 4.540 4.640 0.001 0.000 0.236 230 D C -2.231 174.102 176.300 0.054 0.000 1.163 230 D CA 0.923 54.948 54.000 0.041 0.000 0.801 230 D CB -1.700 39.117 40.800 0.029 0.000 0.975 230 D HN 0.486 nan 8.370 nan 0.000 0.413 231 P HA 0.115 nan 4.420 nan 0.000 0.268 231 P C 0.784 178.121 177.300 0.062 0.000 1.205 231 P CA -0.335 62.811 63.100 0.077 0.000 0.771 231 P CB 0.765 32.508 31.700 0.072 0.000 0.858 232 I N 5.363 125.974 120.570 0.068 0.000 2.578 232 I HA 0.033 4.204 4.170 0.001 0.000 0.286 232 I C -1.463 174.670 176.117 0.026 0.000 1.126 232 I CA -1.689 59.635 61.300 0.040 0.000 1.380 232 I CB -0.165 37.853 38.000 0.029 0.000 1.408 232 I HN 0.186 nan 8.210 nan 0.000 0.532 233 P HA -0.034 nan 4.420 nan 0.000 0.265 233 P C 0.412 177.713 177.300 0.002 0.000 1.193 233 P CA 0.631 63.737 63.100 0.011 0.000 0.765 233 P CB 0.964 32.670 31.700 0.010 0.000 0.823 234 Q N 0.033 119.832 119.800 -0.002 0.000 2.324 234 Q HA -0.228 4.112 4.340 0.001 0.000 0.200 234 Q C 0.786 176.775 176.000 -0.018 0.000 0.645 234 Q CA 2.073 57.870 55.803 -0.010 0.000 1.377 234 Q CB -2.957 25.774 28.738 -0.011 0.000 1.486 234 Q HN 0.354 nan 8.270 nan 0.000 0.796 235 V N -0.847 119.058 119.914 -0.016 0.000 2.948 235 V HA 0.239 4.359 4.120 0.001 0.000 0.234 235 V C 0.885 176.961 176.094 -0.029 0.000 1.205 235 V CA 0.890 63.168 62.300 -0.037 0.000 1.234 235 V CB 0.980 32.776 31.823 -0.046 0.000 1.020 235 V HN 0.698 nan 8.190 nan 0.000 0.491 236 E N 0.594 120.803 120.200 0.015 0.000 2.212 236 E HA 0.672 5.023 4.350 0.001 0.000 0.270 236 E C -0.403 176.234 176.600 0.061 0.000 0.956 236 E CA -0.294 56.151 56.400 0.076 0.000 0.825 236 E CB 1.533 31.329 29.700 0.160 0.000 1.167 236 E HN 0.307 nan 8.360 nan 0.000 0.400 237 K N 0.678 121.122 120.400 0.073 0.000 2.578 237 K HA 0.663 4.983 4.320 0.001 0.000 0.250 237 K C -0.756 175.854 176.600 0.016 0.000 0.955 237 K CA -0.531 55.772 56.287 0.027 0.000 0.825 237 K CB 1.649 34.152 32.500 0.004 0.000 1.151 237 K HN 0.604 nan 8.250 nan 0.000 0.432 238 A N 0.421 123.236 122.820 -0.007 0.000 2.316 238 A HA 0.580 4.900 4.320 0.001 0.000 0.284 238 A C 1.277 178.791 177.584 -0.118 0.000 1.115 238 A CA 0.118 52.137 52.037 -0.031 0.000 0.812 238 A CB -0.064 18.931 19.000 -0.008 0.000 1.064 238 A HN 1.738 nan 8.150 nan 0.000 0.489 239 C N -1.308 117.883 119.300 -0.182 0.000 3.364 239 C HA 0.740 5.201 4.460 0.001 0.000 0.340 239 C C -0.076 174.384 174.990 -0.885 0.000 1.336 239 C CA -0.575 58.148 59.018 -0.491 0.000 1.778 239 C CB -1.436 26.025 27.740 -0.465 0.000 2.398 239 C HN 0.531 nan 8.230 nan 0.000 0.667 240 F N 0.798 120.732 119.950 -0.026 0.000 2.654 240 F HA 0.540 5.067 4.527 0.001 0.000 0.308 240 F C -0.565 175.227 175.800 -0.012 0.000 1.108 240 F CA -0.568 57.428 58.000 -0.007 0.000 0.957 240 F CB 1.168 40.178 39.000 0.017 0.000 1.309 240 F HN -0.033 nan 8.300 nan 0.000 0.446 241 E N 2.221 122.530 120.200 0.182 0.000 2.199 241 E HA 0.545 4.896 4.350 0.001 0.000 0.269 241 E C -1.073 175.537 176.600 0.017 0.000 0.899 241 E CA -0.704 55.732 56.400 0.060 0.000 0.772 241 E CB 2.546 32.210 29.700 -0.060 0.000 1.155 241 E HN 0.424 nan 8.360 nan 0.000 0.408 242 I N 3.880 124.474 120.570 0.040 0.000 2.281 242 I HA 0.034 4.204 4.170 0.001 0.000 0.293 242 I C 1.002 177.150 176.117 0.053 0.000 1.085 242 I CA -0.147 61.167 61.300 0.023 0.000 1.257 242 I CB 0.641 38.658 38.000 0.029 0.000 1.430 242 I HN 0.434 nan 8.210 nan 0.000 0.489 243 V N 5.897 125.779 119.914 -0.052 0.000 2.331 243 V HA -0.014 4.107 4.120 0.001 0.000 0.242 243 V C 0.185 176.458 176.094 0.297 0.000 1.034 243 V CA 0.906 63.184 62.300 -0.037 0.000 1.027 243 V CB -0.116 31.551 31.823 -0.260 0.000 0.667 243 V HN 0.817 nan 8.190 nan 0.000 0.457 244 W N -0.334 120.959 121.300 -0.012 0.000 3.296 244 W HA 0.531 5.191 4.660 0.001 0.000 0.314 244 W C -0.836 175.629 176.519 -0.089 0.000 1.238 244 W CA -0.058 57.287 57.345 0.000 0.000 1.193 244 W CB 1.585 31.078 29.460 0.054 0.000 1.383 244 W HN 0.046 nan 8.180 nan 0.000 0.545 245 T N 1.446 115.578 114.554 -0.703 0.000 2.883 245 T HA 0.929 5.280 4.350 0.001 0.000 0.296 245 T C -0.931 173.044 174.700 -1.209 0.000 1.117 245 T CA -0.434 61.244 62.100 -0.704 0.000 1.006 245 T CB 1.659 70.301 68.868 -0.376 0.000 1.191 245 T HN 1.353 nan 8.240 nan 0.000 0.508 246 A N 0.739 123.137 122.820 -0.703 0.000 2.612 246 A HA 0.812 5.132 4.320 0.001 0.000 0.293 246 A C -1.477 175.967 177.584 -0.234 0.000 1.075 246 A CA -0.840 50.891 52.037 -0.510 0.000 0.680 246 A CB 1.975 20.729 19.000 -0.410 0.000 1.279 246 A HN 1.017 nan 8.150 nan 0.000 0.411 247 Q N 0.274 119.969 119.800 -0.175 0.000 2.315 247 Q HA 0.696 5.036 4.340 0.001 0.000 0.273 247 Q C -1.382 174.553 176.000 -0.108 0.000 1.053 247 Q CA -0.318 55.399 55.803 -0.144 0.000 0.817 247 Q CB 2.433 31.067 28.738 -0.175 0.000 1.326 247 Q HN 0.954 nan 8.270 nan 0.000 0.423 248 T N 1.093 115.590 114.554 -0.094 0.000 2.816 248 T HA 0.615 4.966 4.350 0.001 0.000 0.299 248 T C -1.707 172.945 174.700 -0.080 0.000 1.230 248 T CA -0.336 61.727 62.100 -0.063 0.000 1.007 248 T CB 1.752 70.615 68.868 -0.008 0.000 1.289 248 T HN 0.336 nan 8.240 nan 0.000 0.508 249 V N 2.528 122.407 119.914 -0.058 0.000 2.555 249 V HA 0.550 4.670 4.120 0.001 0.000 0.302 249 V C -0.068 176.011 176.094 -0.026 0.000 1.038 249 V CA -0.764 61.503 62.300 -0.054 0.000 0.887 249 V CB 1.907 33.698 31.823 -0.053 0.000 0.991 249 V HN 0.771 nan 8.190 nan 0.000 0.434 250 V N 6.813 126.715 119.914 -0.021 0.000 2.488 250 V HA 0.230 4.350 4.120 0.001 0.000 0.277 250 V C -2.067 174.021 176.094 -0.010 0.000 1.046 250 V CA -1.539 60.752 62.300 -0.015 0.000 0.986 250 V CB 1.152 32.962 31.823 -0.022 0.000 0.989 250 V HN 0.773 nan 8.190 nan 0.000 0.475 251 P HA 0.014 nan 4.420 nan 0.000 0.266 251 P C 0.063 177.363 177.300 -0.001 0.000 1.193 251 P CA 0.143 63.241 63.100 -0.003 0.000 0.770 251 P CB 0.118 31.818 31.700 -0.001 0.000 0.836 252 N N 0.541 119.242 118.700 0.002 0.000 2.678 252 N HA -0.179 4.561 4.740 0.001 0.000 0.268 252 N C -0.283 175.231 175.510 0.008 0.000 1.010 252 N CA 1.424 54.478 53.050 0.006 0.000 0.784 252 N CB -1.553 36.937 38.487 0.005 0.000 0.905 252 N HN 0.558 nan 8.380 nan 0.000 0.552 253 S N -3.530 112.176 115.700 0.010 0.000 3.093 253 S HA 0.333 4.803 4.470 0.001 0.000 0.251 253 S C 1.148 175.765 174.600 0.027 0.000 0.905 253 S CA 0.322 58.532 58.200 0.016 0.000 1.124 253 S CB 0.413 63.617 63.200 0.008 0.000 1.124 253 S HN 0.447 nan 8.310 nan 0.000 0.574 254 E N 2.127 122.343 120.200 0.027 0.000 2.085 254 E HA 0.016 4.366 4.350 0.001 0.000 0.194 254 E C 1.814 178.443 176.600 0.049 0.000 0.994 254 E CA 1.606 58.027 56.400 0.035 0.000 0.801 254 E CB -1.501 28.216 29.700 0.028 0.000 0.743 254 E HN 0.806 nan 8.360 nan 0.000 0.453 255 G N -0.728 108.100 108.800 0.048 0.000 2.985 255 G HA2 0.296 4.257 3.960 0.001 0.000 0.209 255 G HA3 0.296 4.257 3.960 0.001 0.000 0.209 255 G C 1.698 176.641 174.900 0.072 0.000 1.165 255 G CA 1.063 46.200 45.100 0.060 0.000 0.776 255 G HN 0.771 nan 8.290 nan 0.000 0.541 256 A N 0.374 123.233 122.820 0.065 0.000 1.902 256 A HA 0.244 4.565 4.320 0.001 0.000 0.217 256 A C 0.961 178.606 177.584 0.101 0.000 1.181 256 A CA 0.721 52.800 52.037 0.070 0.000 0.623 256 A CB -0.063 18.966 19.000 0.049 0.000 0.818 256 A HN 0.343 nan 8.150 nan 0.000 0.443 257 I N -1.805 118.831 120.570 0.110 0.000 2.548 257 I HA 0.591 4.761 4.170 0.001 0.000 0.287 257 I C -0.002 176.196 176.117 0.135 0.000 1.103 257 I CA -0.346 61.038 61.300 0.141 0.000 1.049 257 I CB 2.214 40.299 38.000 0.140 0.000 1.232 257 I HN 0.247 nan 8.210 nan 0.000 0.429 258 G N 3.185 112.081 108.800 0.160 0.000 2.623 258 G HA2 0.781 4.741 3.960 0.001 0.000 0.290 258 G HA3 0.781 4.741 3.960 0.001 0.000 0.290 258 G C -1.548 173.455 174.900 0.173 0.000 1.437 258 G CA -0.604 44.578 45.100 0.137 0.000 0.798 258 G HN 0.830 nan 8.290 nan 0.000 0.488 259 G N -0.756 108.121 108.800 0.129 0.000 2.692 259 G HA2 0.693 4.653 3.960 0.001 0.000 0.291 259 G HA3 0.693 4.653 3.960 0.001 0.000 0.291 259 G C -1.635 173.314 174.900 0.083 0.000 1.423 259 G CA -0.764 44.421 45.100 0.141 0.000 0.843 259 G HN 0.544 nan 8.290 nan 0.000 0.486 260 K N 0.421 120.861 120.400 0.066 0.000 2.535 260 K HA 0.466 4.786 4.320 0.001 0.000 0.250 260 K C -1.093 175.521 176.600 0.023 0.000 0.948 260 K CA -0.762 55.544 56.287 0.033 0.000 0.796 260 K CB 3.112 35.619 32.500 0.011 0.000 1.216 260 K HN 0.254 nan 8.250 nan 0.000 0.432 261 V N 5.016 124.942 119.914 0.019 0.000 2.372 261 V HA 0.284 4.405 4.120 0.001 0.000 0.261 261 V C 0.189 176.281 176.094 -0.003 0.000 1.055 261 V CA -0.218 62.089 62.300 0.012 0.000 0.930 261 V CB 0.044 31.874 31.823 0.012 0.000 1.031 261 V HN 0.619 nan 8.190 nan 0.000 0.479 262 R N 2.954 123.446 120.500 -0.014 0.000 2.987 262 R HA 0.443 4.784 4.340 0.001 0.000 0.248 262 R C 0.936 177.219 176.300 -0.028 0.000 1.264 262 R CA -0.889 55.195 56.100 -0.026 0.000 1.026 262 R CB 0.798 31.073 30.300 -0.042 0.000 1.286 262 R HN 0.548 nan 8.270 nan 0.000 0.483 263 E N 0.532 120.712 120.200 -0.032 0.000 2.267 263 E HA -0.128 4.222 4.350 0.001 0.000 0.197 263 E C 1.293 177.871 176.600 -0.037 0.000 0.998 263 E CA 1.475 57.858 56.400 -0.029 0.000 0.830 263 E CB 0.078 29.762 29.700 -0.028 0.000 0.751 263 E HN 0.356 nan 8.360 nan 0.000 0.491 264 V N -3.195 116.683 119.914 -0.060 0.000 3.514 264 V HA 0.442 4.562 4.120 0.001 0.000 0.301 264 V C 0.744 176.802 176.094 -0.059 0.000 1.346 264 V CA 0.132 62.384 62.300 -0.079 0.000 1.156 264 V CB -0.594 31.138 31.823 -0.153 0.000 1.029 264 V HN 0.246 nan 8.190 nan 0.000 0.428 265 G N 0.732 109.515 108.800 -0.029 0.000 2.548 265 G HA2 -0.069 3.891 3.960 0.001 0.000 0.208 265 G HA3 -0.069 3.891 3.960 0.001 0.000 0.208 265 G C -0.910 173.995 174.900 0.008 0.000 1.308 265 G CA -0.288 44.815 45.100 0.005 0.000 0.924 265 G HN 0.927 nan 8.290 nan 0.000 0.540 266 L N 1.910 123.164 121.223 0.053 0.000 2.283 266 L HA 0.649 4.989 4.340 0.001 0.000 0.287 266 L C 1.300 178.235 176.870 0.109 0.000 1.073 266 L CA 0.597 55.485 54.840 0.081 0.000 0.822 266 L CB 0.297 42.425 42.059 0.114 0.000 1.186 266 L HN 1.232 nan 8.230 nan 0.000 0.436 267 T N 2.144 116.719 114.554 0.035 0.000 2.918 267 T HA 0.749 5.100 4.350 0.001 0.000 0.283 267 T C -0.304 174.452 174.700 0.093 0.000 1.001 267 T CA -0.557 61.509 62.100 -0.056 0.000 1.041 267 T CB 1.249 70.010 68.868 -0.179 0.000 1.028 267 T HN 0.474 nan 8.240 nan 0.000 0.511 268 F N -2.502 117.489 119.950 0.068 0.000 2.645 268 F HA 0.844 5.372 4.527 0.001 0.000 0.310 268 F C -0.696 175.178 175.800 0.122 0.000 1.102 268 F CA -1.355 56.712 58.000 0.112 0.000 0.952 268 F CB 1.000 40.115 39.000 0.191 0.000 1.326 268 F HN 0.862 nan 8.300 nan 0.000 0.456 269 Q N 1.941 121.966 119.800 0.375 0.000 2.347 269 Q HA 0.817 5.158 4.340 0.001 0.000 0.271 269 Q C -2.231 173.968 176.000 0.332 0.000 1.064 269 Q CA -0.837 55.129 55.803 0.272 0.000 0.800 269 Q CB 2.315 31.146 28.738 0.154 0.000 1.304 269 Q HN 0.914 nan 8.270 nan 0.000 0.438 270 L N 2.275 123.677 121.223 0.299 0.000 2.406 270 L HA 0.538 4.879 4.340 0.001 0.000 0.272 270 L C -0.513 176.452 176.870 0.158 0.000 0.980 270 L CA -1.268 53.716 54.840 0.239 0.000 0.831 270 L CB 2.185 44.408 42.059 0.275 0.000 1.253 270 L HN 0.524 nan 8.230 nan 0.000 0.406 271 K N 1.403 121.874 120.400 0.118 0.000 2.144 271 K HA 0.301 4.622 4.320 0.001 0.000 0.270 271 K C 1.054 177.693 176.600 0.064 0.000 1.005 271 K CA -0.222 56.114 56.287 0.082 0.000 0.932 271 K CB 1.713 34.251 32.500 0.063 0.000 1.021 271 K HN 0.760 nan 8.250 nan 0.000 0.462 272 G N 0.925 109.754 108.800 0.049 0.000 2.559 272 G HA2 -0.173 3.788 3.960 0.001 0.000 0.216 272 G HA3 -0.173 3.788 3.960 0.001 0.000 0.216 272 G C 1.139 176.049 174.900 0.018 0.000 1.126 272 G CA 0.807 45.927 45.100 0.034 0.000 0.778 272 G HN 0.589 nan 8.290 nan 0.000 0.543 273 A N 0.059 122.889 122.820 0.017 0.000 2.206 273 A HA 0.313 4.633 4.320 0.001 0.000 0.211 273 A C 2.393 179.969 177.584 -0.013 0.000 1.158 273 A CA 0.861 52.899 52.037 0.002 0.000 0.761 273 A CB -0.147 18.856 19.000 0.005 0.000 0.801 273 A HN 0.179 nan 8.150 nan 0.000 0.473 274 V N 0.947 120.859 119.914 -0.003 0.000 2.231 274 V HA -0.245 3.876 4.120 0.001 0.000 0.250 274 V C 0.065 176.111 176.094 -0.079 0.000 1.058 274 V CA 2.864 65.148 62.300 -0.026 0.000 1.022 274 V CB -1.559 30.270 31.823 0.009 0.000 0.640 274 V HN 0.389 nan 8.190 nan 0.000 0.445 275 P HA -0.135 nan 4.420 nan 0.000 0.215 275 P C 1.386 178.624 177.300 -0.102 0.000 1.157 275 P CA 2.363 65.406 63.100 -0.095 0.000 0.874 275 P CB -0.297 31.370 31.700 -0.055 0.000 0.790 276 D N -0.382 119.977 120.400 -0.067 0.000 2.117 276 D HA -0.138 4.503 4.640 0.001 0.000 0.197 276 D C 1.996 178.253 176.300 -0.071 0.000 0.987 276 D CA 1.215 55.180 54.000 -0.058 0.000 0.829 276 D CB -1.337 39.442 40.800 -0.035 0.000 0.961 276 D HN 0.094 nan 8.370 nan 0.000 0.460 277 L N -0.310 120.869 121.223 -0.073 0.000 2.042 277 L HA -0.084 4.257 4.340 0.001 0.000 0.210 277 L C 2.903 179.701 176.870 -0.120 0.000 1.076 277 L CA 1.047 55.842 54.840 -0.075 0.000 0.749 277 L CB -0.335 41.688 42.059 -0.059 0.000 0.893 277 L HN 0.325 nan 8.230 nan 0.000 0.432 278 I N -0.532 119.920 120.570 -0.197 0.000 2.133 278 I HA -0.276 3.895 4.170 0.001 0.000 0.238 278 I C 2.790 178.760 176.117 -0.246 0.000 1.074 278 I CA 1.573 62.678 61.300 -0.323 0.000 1.342 278 I CB -0.415 37.205 38.000 -0.633 0.000 1.053 278 I HN 0.333 nan 8.210 nan 0.000 0.404 279 S N 1.493 117.075 115.700 -0.196 0.000 2.400 279 S HA -0.159 4.311 4.470 0.001 0.000 0.232 279 S C 2.091 176.645 174.600 -0.077 0.000 1.025 279 S CA 0.992 59.117 58.200 -0.125 0.000 0.993 279 S CB -0.598 62.546 63.200 -0.092 0.000 0.808 279 S HN 0.427 nan 8.310 nan 0.000 0.478 280 A N 1.656 124.434 122.820 -0.070 0.000 2.119 280 A HA 0.177 4.497 4.320 0.001 0.000 0.217 280 A C 1.662 179.230 177.584 -0.027 0.000 1.153 280 A CA 1.101 53.116 52.037 -0.037 0.000 0.692 280 A CB -0.441 18.540 19.000 -0.032 0.000 0.799 280 A HN 0.633 nan 8.150 nan 0.000 0.458 281 N N -1.735 116.936 118.700 -0.049 0.000 2.181 281 N HA 0.159 4.899 4.740 0.001 0.000 0.207 281 N C 1.026 176.518 175.510 -0.030 0.000 1.182 281 N CA -0.099 52.934 53.050 -0.028 0.000 0.893 281 N CB 0.212 38.681 38.487 -0.031 0.000 1.032 281 N HN 0.300 nan 8.380 nan 0.000 0.513 282 I N 1.431 121.957 120.570 -0.073 0.000 2.286 282 I HA -0.181 3.990 4.170 0.001 0.000 0.248 282 I C 2.173 178.276 176.117 -0.023 0.000 1.115 282 I CA 1.321 62.553 61.300 -0.112 0.000 1.392 282 I CB 0.041 37.936 38.000 -0.175 0.000 1.065 282 I HN 0.073 nan 8.210 nan 0.000 0.418 283 E N 0.716 120.934 120.200 0.031 0.000 2.077 283 E HA -0.254 4.097 4.350 0.001 0.000 0.193 283 E C 1.923 178.591 176.600 0.113 0.000 0.989 283 E CA 1.855 58.317 56.400 0.103 0.000 0.800 283 E CB -0.353 29.441 29.700 0.155 0.000 0.746 283 E HN 0.518 nan 8.360 nan 0.000 0.452 284 N N -0.625 118.129 118.700 0.090 0.000 2.104 284 N HA -0.162 4.578 4.740 0.001 0.000 0.190 284 N C 1.758 177.332 175.510 0.107 0.000 1.024 284 N CA 1.626 54.733 53.050 0.095 0.000 0.853 284 N CB -0.577 37.952 38.487 0.070 0.000 1.008 284 N HN 0.272 nan 8.380 nan 0.000 0.424 285 C N 0.098 119.468 119.300 0.116 0.000 2.429 285 C HA -0.014 4.446 4.460 0.001 0.000 0.277 285 C C 2.591 177.685 174.990 0.174 0.000 1.262 285 C CA 0.476 59.610 59.018 0.193 0.000 1.733 285 C CB -0.811 27.114 27.740 0.307 0.000 2.010 285 C HN 0.451 nan 8.230 nan 0.000 0.483 286 M N 0.617 120.276 119.600 0.098 0.000 2.086 286 M HA -0.089 4.392 4.480 0.001 0.000 0.261 286 M C 2.244 178.564 176.300 0.033 0.000 1.067 286 M CA 1.561 56.803 55.300 -0.098 0.000 1.116 286 M CB -1.455 30.706 32.600 -0.731 0.000 1.348 286 M HN 0.273 nan 8.290 nan 0.000 0.407 287 V N 0.210 120.222 119.914 0.162 0.000 2.343 287 V HA -0.226 3.894 4.120 0.001 0.000 0.247 287 V C 2.413 178.563 176.094 0.093 0.000 1.051 287 V CA 2.016 64.469 62.300 0.255 0.000 1.036 287 V CB -0.901 31.063 31.823 0.236 0.000 0.654 287 V HN 0.377 nan 8.190 nan 0.000 0.451 288 E N 1.097 121.325 120.200 0.047 0.000 2.110 288 E HA -0.185 4.165 4.350 0.001 0.000 0.193 288 E C 2.049 178.487 176.600 -0.269 0.000 0.988 288 E CA 1.839 58.230 56.400 -0.013 0.000 0.804 288 E CB -0.421 29.340 29.700 0.103 0.000 0.745 288 E HN 0.526 nan 8.360 nan 0.000 0.458 289 A N -1.081 121.518 122.820 -0.370 0.000 1.935 289 A HA 0.044 4.364 4.320 0.001 0.000 0.214 289 A C 1.704 178.669 177.584 -1.032 0.000 1.178 289 A CA 0.967 52.383 52.037 -1.035 0.000 0.640 289 A CB -0.397 18.151 19.000 -0.754 0.000 0.825 289 A HN 0.318 nan 8.150 nan 0.000 0.447 290 F N -0.378 119.451 119.950 -0.201 0.000 2.731 290 F HA 0.138 4.665 4.527 0.000 0.000 0.298 290 F C 2.383 178.187 175.800 0.006 0.000 1.106 290 F CA 0.537 58.553 58.000 0.027 0.000 1.329 290 F CB -0.016 39.115 39.000 0.219 0.000 1.100 290 F HN 0.053 nan 8.300 nan 0.000 0.592 291 S N 0.459 116.203 115.700 0.072 0.000 2.383 291 S HA -0.276 4.194 4.470 0.001 0.000 0.229 291 S C 2.122 176.662 174.600 -0.100 0.000 1.030 291 S CA 1.713 59.932 58.200 0.031 0.000 1.002 291 S CB -0.546 62.655 63.200 0.003 0.000 0.829 291 S HN 0.621 nan 8.310 nan 0.000 0.467 292 Q N -0.081 119.517 119.800 -0.336 0.000 2.364 292 Q HA -0.011 4.330 4.340 0.001 0.000 0.207 292 Q C 0.900 176.609 176.000 -0.486 0.000 0.970 292 Q CA 1.200 56.707 55.803 -0.494 0.000 0.888 292 Q CB -0.455 27.799 28.738 -0.805 0.000 0.951 292 Q HN 0.606 nan 8.270 nan 0.000 0.469 293 F N 0.463 120.386 119.950 -0.045 0.000 2.664 293 F HA 0.335 4.862 4.527 0.001 0.000 0.303 293 F C 1.067 176.896 175.800 0.048 0.000 1.092 293 F CA 0.182 58.188 58.000 0.011 0.000 1.305 293 F CB 0.738 39.772 39.000 0.057 0.000 1.054 293 F HN 0.071 nan 8.300 nan 0.000 0.565 294 K N 1.244 121.737 120.400 0.154 0.000 3.117 294 K HA -0.228 4.092 4.320 0.001 0.000 0.269 294 K C -0.359 176.314 176.600 0.122 0.000 1.098 294 K CA 1.339 57.690 56.287 0.107 0.000 0.785 294 K CB -3.107 29.440 32.500 0.079 0.000 1.242 294 K HN 0.522 nan 8.250 nan 0.000 0.491 295 I N 0.809 121.496 120.570 0.196 0.000 2.389 295 I HA 0.403 4.573 4.170 0.001 0.000 0.288 295 I C 1.185 177.361 176.117 0.099 0.000 0.999 295 I CA -0.117 61.272 61.300 0.147 0.000 1.129 295 I CB 2.320 40.438 38.000 0.196 0.000 1.288 295 I HN 0.427 nan 8.210 nan 0.000 0.444 296 S N 1.588 117.179 115.700 -0.182 0.000 2.687 296 S HA 0.134 4.605 4.470 0.001 0.000 0.247 296 S C 0.149 174.124 174.600 -1.041 0.000 1.050 296 S CA -0.354 57.495 58.200 -0.584 0.000 1.063 296 S CB 0.278 63.288 63.200 -0.317 0.000 1.039 296 S HN 0.595 nan 8.310 nan 0.000 0.580 297 D N 1.130 121.191 120.400 -0.566 0.000 2.428 297 D HA 0.279 4.919 4.640 0.001 0.000 0.221 297 D C 0.031 176.243 176.300 -0.148 0.000 1.123 297 D CA -0.725 53.023 54.000 -0.420 0.000 0.869 297 D CB 0.298 40.988 40.800 -0.183 0.000 1.032 297 D HN 0.419 nan 8.370 nan 0.000 0.506 298 W N 2.589 123.915 121.300 0.043 0.000 2.468 298 W HA -0.055 4.605 4.660 0.001 0.000 0.262 298 W C 1.445 178.093 176.519 0.215 0.000 1.241 298 W CA -0.276 57.155 57.345 0.143 0.000 1.232 298 W CB -0.077 29.556 29.460 0.287 0.000 1.124 298 W HN 0.379 nan 8.180 nan 0.000 0.597 299 N N 0.308 119.171 118.700 0.271 0.000 2.398 299 N HA -0.025 4.715 4.740 0.001 0.000 0.188 299 N C 1.193 176.802 175.510 0.165 0.000 1.122 299 N CA 0.357 53.527 53.050 0.200 0.000 0.866 299 N CB -0.011 38.532 38.487 0.093 0.000 0.970 299 N HN 0.099 nan 8.380 nan 0.000 0.462 300 K N 0.288 120.765 120.400 0.128 0.000 2.404 300 K HA 0.175 4.495 4.320 0.001 0.000 0.194 300 K C -0.269 176.372 176.600 0.068 0.000 1.023 300 K CA 0.300 56.632 56.287 0.075 0.000 1.094 300 K CB 0.414 32.926 32.500 0.021 0.000 0.841 300 K HN 0.131 nan 8.250 nan 0.000 0.523 301 L N 0.650 121.935 121.223 0.103 0.000 2.319 301 L HA 0.471 4.811 4.340 0.001 0.000 0.267 301 L C -0.177 176.791 176.870 0.164 0.000 1.011 301 L CA -1.569 53.247 54.840 -0.041 0.000 0.818 301 L CB 0.918 42.754 42.059 -0.373 0.000 1.316 301 L HN -0.087 nan 8.230 nan 0.000 0.432 302 F N -1.380 118.600 119.950 0.050 0.000 2.379 302 F HA 0.669 5.196 4.527 0.001 0.000 0.332 302 F C -1.045 174.787 175.800 0.053 0.000 1.096 302 F CA -1.000 57.091 58.000 0.152 0.000 1.105 302 F CB 0.539 39.610 39.000 0.119 0.000 1.189 302 F HN 0.193 nan 8.300 nan 0.000 0.515 303 W N 1.939 123.368 121.300 0.215 0.000 2.666 303 W HA 0.711 5.371 4.660 0.000 0.000 0.334 303 W C -1.562 175.046 176.519 0.148 0.000 1.051 303 W CA -1.076 56.338 57.345 0.115 0.000 1.224 303 W CB 2.206 31.735 29.460 0.116 0.000 1.405 303 W HN 0.401 nan 8.180 nan 0.000 0.513 304 V N 3.898 123.969 119.914 0.262 0.000 2.532 304 V HA 0.465 4.586 4.120 0.001 0.000 0.294 304 V C -0.976 175.243 176.094 0.208 0.000 1.036 304 V CA -0.927 61.485 62.300 0.186 0.000 0.876 304 V CB 1.406 33.259 31.823 0.049 0.000 1.012 304 V HN 0.293 nan 8.190 nan 0.000 0.432 305 V N 3.369 123.435 119.914 0.253 0.000 2.588 305 V HA 0.396 4.516 4.120 0.001 0.000 0.304 305 V C -0.177 176.004 176.094 0.145 0.000 1.042 305 V CA -0.978 61.476 62.300 0.257 0.000 0.877 305 V CB 1.900 33.954 31.823 0.386 0.000 0.996 305 V HN 0.975 nan 8.190 nan 0.000 0.425 306 H N 7.716 126.757 119.070 -0.049 0.000 3.107 306 H HA 0.131 4.687 4.556 0.001 0.000 0.301 306 H C -2.008 173.399 175.328 0.133 0.000 0.981 306 H CA -1.192 54.843 56.048 -0.023 0.000 1.443 306 H CB 1.041 30.727 29.762 -0.126 0.000 1.479 306 H HN 0.384 nan 8.280 nan 0.000 0.564 307 P HA 0.086 nan 4.420 nan 0.000 0.220 307 P C 0.931 178.014 177.300 -0.362 0.000 1.806 307 P CA 0.159 63.106 63.100 -0.254 0.000 0.976 307 P CB 0.060 31.681 31.700 -0.132 0.000 1.952 308 G N 1.140 109.756 108.800 -0.307 0.000 2.442 308 G HA2 0.046 4.007 3.960 0.001 0.000 0.219 308 G HA3 0.046 4.007 3.960 0.001 0.000 0.219 308 G C 0.705 175.625 174.900 0.034 0.000 1.141 308 G CA 0.674 45.755 45.100 -0.031 0.000 0.763 308 G HN 0.637 nan 8.290 nan 0.000 0.554 309 G N -2.415 106.395 108.800 0.017 0.000 2.547 309 G HA2 0.411 4.371 3.960 0.001 0.000 0.291 309 G HA3 0.411 4.371 3.960 0.001 0.000 0.291 309 G C 0.283 175.185 174.900 0.002 0.000 1.471 309 G CA 0.109 45.216 45.100 0.011 0.000 0.798 309 G HN 0.104 nan 8.290 nan 0.000 0.504 310 R N 0.207 120.702 120.500 -0.008 0.000 2.083 310 R HA -0.118 4.223 4.340 0.001 0.000 0.237 310 R C 2.716 179.011 176.300 -0.008 0.000 1.137 310 R CA 2.531 58.626 56.100 -0.009 0.000 0.951 310 R CB -0.497 29.792 30.300 -0.017 0.000 0.851 310 R HN 0.663 nan 8.270 nan 0.000 0.434 311 A N 1.298 124.111 122.820 -0.012 0.000 1.917 311 A HA -0.190 4.130 4.320 0.001 0.000 0.219 311 A C 2.218 179.788 177.584 -0.024 0.000 1.182 311 A CA 1.746 53.772 52.037 -0.018 0.000 0.633 311 A CB -0.585 18.405 19.000 -0.017 0.000 0.819 311 A HN 0.413 nan 8.150 nan 0.000 0.448 312 I N -0.418 120.140 120.570 -0.020 0.000 2.179 312 I HA -0.281 3.889 4.170 0.001 0.000 0.242 312 I C 2.414 178.524 176.117 -0.011 0.000 1.088 312 I CA 1.323 62.600 61.300 -0.038 0.000 1.357 312 I CB -0.424 37.568 38.000 -0.013 0.000 1.051 312 I HN 0.312 nan 8.210 nan 0.000 0.409 313 L N 0.207 121.443 121.223 0.022 0.000 2.046 313 L HA -0.234 4.107 4.340 0.001 0.000 0.208 313 L C 2.230 179.093 176.870 -0.012 0.000 1.077 313 L CA 1.277 56.133 54.840 0.028 0.000 0.747 313 L CB -0.823 41.257 42.059 0.034 0.000 0.896 313 L HN 0.281 nan 8.230 nan 0.000 0.432 314 D N -0.143 120.246 120.400 -0.019 0.000 2.097 314 D HA -0.136 4.504 4.640 0.001 0.000 0.195 314 D C 2.389 178.665 176.300 -0.039 0.000 0.989 314 D CA 0.959 54.942 54.000 -0.029 0.000 0.827 314 D CB -0.188 40.598 40.800 -0.024 0.000 0.966 314 D HN 0.161 nan 8.370 nan 0.000 0.456 315 R N 0.603 121.079 120.500 -0.041 0.000 2.092 315 R HA -0.023 4.317 4.340 0.001 0.000 0.231 315 R C 2.415 178.681 176.300 -0.057 0.000 1.119 315 R CA 0.307 56.378 56.100 -0.048 0.000 0.970 315 R CB -0.922 29.344 30.300 -0.057 0.000 0.864 315 R HN 0.185 nan 8.270 nan 0.000 0.440 316 V N 1.191 121.067 119.914 -0.064 0.000 2.379 316 V HA -0.192 3.929 4.120 0.001 0.000 0.245 316 V C 2.476 178.505 176.094 -0.108 0.000 1.044 316 V CA 1.771 64.028 62.300 -0.073 0.000 1.036 316 V CB -0.459 31.344 31.823 -0.034 0.000 0.664 316 V HN 0.370 nan 8.190 nan 0.000 0.453 317 E N 0.428 120.556 120.200 -0.119 0.000 2.058 317 E HA -0.248 4.102 4.350 0.001 0.000 0.194 317 E C 2.210 178.753 176.600 -0.095 0.000 0.997 317 E CA 1.572 57.881 56.400 -0.152 0.000 0.801 317 E CB -0.212 29.418 29.700 -0.116 0.000 0.746 317 E HN 0.552 nan 8.360 nan 0.000 0.450 318 A N 1.104 123.888 122.820 -0.060 0.000 1.873 318 A HA -0.182 4.139 4.320 0.001 0.000 0.215 318 A C 2.107 179.682 177.584 -0.016 0.000 1.186 318 A CA 1.831 53.847 52.037 -0.034 0.000 0.616 318 A CB -0.462 18.521 19.000 -0.028 0.000 0.823 318 A HN 0.157 nan 8.150 nan 0.000 0.442 319 K N 0.155 120.546 120.400 -0.015 0.000 2.063 319 K HA -0.017 4.303 4.320 0.001 0.000 0.208 319 K C 1.401 178.037 176.600 0.060 0.000 1.048 319 K CA 1.615 57.910 56.287 0.014 0.000 0.928 319 K CB -0.491 32.010 32.500 0.001 0.000 0.713 319 K HN 0.444 nan 8.250 nan 0.000 0.442 320 L N 0.454 121.713 121.223 0.059 0.000 2.592 320 L HA 0.118 4.458 4.340 0.001 0.000 0.227 320 L C 0.330 177.285 176.870 0.141 0.000 1.127 320 L CA -0.163 54.786 54.840 0.183 0.000 0.884 320 L CB -0.454 41.704 42.059 0.166 0.000 1.065 320 L HN 0.354 nan 8.230 nan 0.000 0.457 321 N N 1.706 120.429 118.700 0.038 0.000 2.725 321 N HA -0.193 4.548 4.740 0.001 0.000 0.251 321 N C -0.384 175.119 175.510 -0.011 0.000 1.031 321 N CA 0.537 53.592 53.050 0.009 0.000 0.720 321 N CB -1.003 37.493 38.487 0.017 0.000 0.930 321 N HN 0.298 nan 8.380 nan 0.000 0.543 322 L N 0.783 121.958 121.223 -0.080 0.000 2.417 322 L HA 0.194 4.534 4.340 0.001 0.000 0.268 322 L C 1.018 177.833 176.870 -0.092 0.000 1.158 322 L CA -0.762 53.995 54.840 -0.138 0.000 0.819 322 L CB 0.424 42.256 42.059 -0.379 0.000 1.112 322 L HN 0.279 nan 8.230 nan 0.000 0.458 323 D N 1.285 121.651 120.400 -0.057 0.000 2.362 323 D HA 0.153 4.793 4.640 0.001 0.000 0.242 323 D C -1.570 174.706 176.300 -0.040 0.000 1.132 323 D CA -1.205 52.776 54.000 -0.032 0.000 0.907 323 D CB 0.228 41.026 40.800 -0.003 0.000 1.195 323 D HN 0.391 nan 8.370 nan 0.000 0.429 324 P HA -0.147 nan 4.420 nan 0.000 0.234 324 P C 1.109 178.406 177.300 -0.005 0.000 1.162 324 P CA 1.931 65.019 63.100 -0.021 0.000 0.759 324 P CB -0.436 31.256 31.700 -0.013 0.000 0.813 325 T N -5.419 109.139 114.554 0.006 0.000 3.037 325 T HA 0.052 4.402 4.350 0.001 0.000 0.251 325 T C 1.737 176.471 174.700 0.057 0.000 1.079 325 T CA 0.468 62.587 62.100 0.032 0.000 1.067 325 T CB -0.199 68.695 68.868 0.043 0.000 0.948 325 T HN 0.081 nan 8.240 nan 0.000 0.496 326 K N 1.852 122.270 120.400 0.031 0.000 2.026 326 K HA 0.147 4.467 4.320 0.001 0.000 0.208 326 K C 1.794 178.453 176.600 0.098 0.000 1.048 326 K CA 0.955 57.277 56.287 0.058 0.000 0.929 326 K CB -0.631 31.779 32.500 -0.149 0.000 0.713 326 K HN 0.431 nan 8.250 nan 0.000 0.439 327 L N 1.140 122.382 121.223 0.031 0.000 2.653 327 L HA 0.168 4.508 4.340 0.001 0.000 0.232 327 L C 1.819 178.745 176.870 0.093 0.000 1.169 327 L CA -0.236 54.649 54.840 0.075 0.000 0.951 327 L CB -0.242 41.830 42.059 0.021 0.000 1.181 327 L HN 0.039 nan 8.230 nan 0.000 0.460 328 I N 1.120 121.745 120.570 0.092 0.000 2.142 328 I HA -0.195 3.976 4.170 0.001 0.000 0.240 328 I C -0.158 176.042 176.117 0.139 0.000 1.078 328 I CA 1.617 62.970 61.300 0.087 0.000 1.343 328 I CB -1.102 36.935 38.000 0.062 0.000 1.046 328 I HN 0.254 nan 8.210 nan 0.000 0.405 329 P HA -0.116 nan 4.420 nan 0.000 0.217 329 P C 1.649 179.078 177.300 0.215 0.000 1.150 329 P CA 1.507 64.735 63.100 0.213 0.000 0.832 329 P CB -0.070 31.750 31.700 0.200 0.000 0.787 330 T N -0.649 114.015 114.554 0.184 0.000 2.708 330 T HA -0.117 4.234 4.350 0.001 0.000 0.266 330 T C 1.796 176.576 174.700 0.133 0.000 1.037 330 T CA 1.242 63.436 62.100 0.156 0.000 1.146 330 T CB -0.489 68.473 68.868 0.158 0.000 0.865 330 T HN 0.139 nan 8.240 nan 0.000 0.435 331 R N -0.181 120.395 120.500 0.128 0.000 2.148 331 R HA -0.018 4.323 4.340 0.001 0.000 0.227 331 R C 2.375 178.768 176.300 0.154 0.000 1.103 331 R CA 0.946 57.110 56.100 0.106 0.000 0.983 331 R CB -0.340 30.006 30.300 0.077 0.000 0.874 331 R HN 0.612 nan 8.270 nan 0.000 0.451 332 H N 0.147 119.259 119.070 0.069 0.000 2.326 332 H HA -0.065 4.492 4.556 0.001 0.000 0.301 332 H C 1.907 177.294 175.328 0.098 0.000 1.081 332 H CA 1.249 57.340 56.048 0.071 0.000 1.334 332 H CB 0.392 30.208 29.762 0.091 0.000 1.385 332 H HN -0.029 nan 8.280 nan 0.000 0.504 333 V N 1.337 121.326 119.914 0.125 0.000 2.343 333 V HA -0.305 3.815 4.120 0.001 0.000 0.247 333 V C 2.730 178.896 176.094 0.120 0.000 1.051 333 V CA 2.003 64.399 62.300 0.159 0.000 1.036 333 V CB -0.536 31.398 31.823 0.185 0.000 0.654 333 V HN 0.505 nan 8.190 nan 0.000 0.451 334 M N -0.477 119.162 119.600 0.065 0.000 2.175 334 M HA -0.158 4.322 4.480 0.001 0.000 0.264 334 M C 2.351 178.648 176.300 -0.005 0.000 1.063 334 M CA 2.090 57.401 55.300 0.019 0.000 1.119 334 M CB -0.141 32.462 32.600 0.005 0.000 1.377 334 M HN 0.398 nan 8.290 nan 0.000 0.415 335 S N 0.248 115.952 115.700 0.007 0.000 2.383 335 S HA -0.122 4.348 4.470 0.001 0.000 0.227 335 S C 1.897 176.439 174.600 -0.097 0.000 1.026 335 S CA 1.845 60.034 58.200 -0.017 0.000 0.981 335 S CB -0.217 63.013 63.200 0.051 0.000 0.818 335 S HN 0.700 nan 8.310 nan 0.000 0.472 336 E N -0.969 119.118 120.200 -0.188 0.000 2.400 336 E HA 0.178 4.529 4.350 0.001 0.000 0.195 336 E C 1.199 177.457 176.600 -0.571 0.000 1.012 336 E CA 0.491 56.637 56.400 -0.423 0.000 0.875 336 E CB -0.481 28.835 29.700 -0.640 0.000 0.859 336 E HN 0.883 nan 8.360 nan 0.000 0.498 337 Y N -1.489 118.765 120.300 -0.076 0.000 2.425 337 Y HA 0.448 4.998 4.550 0.001 0.000 0.261 337 Y C 1.597 177.428 175.900 -0.114 0.000 1.084 337 Y CA -0.053 58.000 58.100 -0.079 0.000 1.248 337 Y CB 1.295 39.633 38.460 -0.203 0.000 1.270 337 Y HN 0.496 nan 8.280 nan 0.000 0.524 338 G N 1.489 110.300 108.800 0.019 0.000 2.642 338 G HA2 -0.308 3.652 3.960 0.001 0.000 0.231 338 G HA3 -0.308 3.652 3.960 0.001 0.000 0.231 338 G C -0.590 174.306 174.900 -0.007 0.000 1.338 338 G CA -0.334 44.758 45.100 -0.012 0.000 0.883 338 G HN 0.264 nan 8.290 nan 0.000 0.570 339 N N 0.822 119.537 118.700 0.025 0.000 2.482 339 N HA 0.394 5.135 4.740 0.001 0.000 0.242 339 N C 1.091 176.612 175.510 0.017 0.000 1.100 339 N CA -0.164 52.904 53.050 0.029 0.000 0.946 339 N CB -0.081 38.494 38.487 0.146 0.000 1.227 339 N HN 0.472 nan 8.380 nan 0.000 0.508 340 M N 1.981 121.546 119.600 -0.058 0.000 2.723 340 M HA 0.063 4.544 4.480 0.001 0.000 0.270 340 M C 1.016 177.265 176.300 -0.085 0.000 1.282 340 M CA -0.235 55.009 55.300 -0.093 0.000 0.995 340 M CB -0.440 32.031 32.600 -0.216 0.000 1.430 340 M HN 0.609 nan 8.290 nan 0.000 0.477 341 S N 1.078 116.753 115.700 -0.042 0.000 3.938 341 S HA -0.315 4.155 4.470 0.001 0.000 0.624 341 S C 1.510 176.051 174.600 -0.098 0.000 2.186 341 S CA 2.052 60.206 58.200 -0.078 0.000 4.144 341 S CB -1.275 61.792 63.200 -0.222 0.000 0.230 341 S HN 0.754 nan 8.310 nan 0.000 0.755 342 S N 1.646 117.214 115.700 -0.220 0.000 2.402 342 S HA -0.062 4.408 4.470 0.001 0.000 0.233 342 S C 2.017 176.464 174.600 -0.256 0.000 1.030 342 S CA 2.245 60.287 58.200 -0.265 0.000 1.003 342 S CB -1.176 61.860 63.200 -0.273 0.000 0.813 342 S HN 1.696 nan 8.310 nan 0.000 0.477 343 A N 0.597 123.332 122.820 -0.142 0.000 2.014 343 A HA 0.053 4.373 4.320 0.001 0.000 0.218 343 A C 2.442 180.037 177.584 0.018 0.000 1.163 343 A CA 1.034 53.052 52.037 -0.032 0.000 0.652 343 A CB -1.482 17.589 19.000 0.118 0.000 0.808 343 A HN 0.718 nan 8.150 nan 0.000 0.449 344 C N -0.576 118.689 119.300 -0.058 0.000 2.367 344 C HA -0.206 4.254 4.460 0.001 0.000 0.276 344 C C 2.801 177.814 174.990 0.040 0.000 1.195 344 C CA 1.630 60.626 59.018 -0.036 0.000 1.756 344 C CB -1.608 26.134 27.740 0.003 0.000 2.046 344 C HN 0.700 nan 8.230 nan 0.000 0.453 345 V N -0.408 119.481 119.914 -0.041 0.000 2.469 345 V HA -0.249 3.871 4.120 0.001 0.000 0.251 345 V C 2.244 178.359 176.094 0.036 0.000 1.064 345 V CA 2.513 64.790 62.300 -0.038 0.000 1.066 345 V CB -1.216 30.538 31.823 -0.116 0.000 0.667 345 V HN 0.599 nan 8.190 nan 0.000 0.461 346 H N -0.655 118.457 119.070 0.070 0.000 2.395 346 H HA 0.107 4.663 4.556 0.001 0.000 0.299 346 H C 2.093 177.445 175.328 0.039 0.000 1.070 346 H CA 1.488 57.548 56.048 0.019 0.000 1.356 346 H CB -0.591 29.156 29.762 -0.024 0.000 1.401 346 H HN 0.523 nan 8.280 nan 0.000 0.524 347 F N 0.776 120.737 119.950 0.017 0.000 2.134 347 F HA -0.100 4.427 4.527 0.001 0.000 0.299 347 F C 2.532 178.344 175.800 0.020 0.000 1.097 347 F CA 0.792 58.764 58.000 -0.046 0.000 1.264 347 F CB -0.516 38.376 39.000 -0.180 0.000 1.001 347 F HN 0.036 nan 8.300 nan 0.000 0.479 348 I N -0.625 120.086 120.570 0.235 0.000 2.226 348 I HA -0.305 3.865 4.170 0.001 0.000 0.245 348 I C 2.301 178.502 176.117 0.141 0.000 1.100 348 I CA 1.111 62.518 61.300 0.178 0.000 1.374 348 I CB -0.538 37.551 38.000 0.147 0.000 1.057 348 I HN 0.115 nan 8.210 nan 0.000 0.413 349 L N 0.395 121.676 121.223 0.097 0.000 2.046 349 L HA -0.262 4.078 4.340 0.001 0.000 0.208 349 L C 2.272 179.240 176.870 0.163 0.000 1.077 349 L CA 1.602 56.464 54.840 0.037 0.000 0.747 349 L CB -0.563 41.461 42.059 -0.059 0.000 0.896 349 L HN 0.285 nan 8.230 nan 0.000 0.432 350 D N -0.540 119.933 120.400 0.121 0.000 2.117 350 D HA -0.262 4.378 4.640 0.001 0.000 0.197 350 D C 2.150 178.522 176.300 0.119 0.000 0.987 350 D CA 1.156 55.214 54.000 0.096 0.000 0.829 350 D CB 0.124 40.918 40.800 -0.009 0.000 0.961 350 D HN 0.149 nan 8.370 nan 0.000 0.460 351 Q N -0.338 119.548 119.800 0.143 0.000 2.124 351 Q HA -0.094 4.247 4.340 0.001 0.000 0.202 351 Q C 1.924 178.019 176.000 0.158 0.000 0.977 351 Q CA 2.054 57.960 55.803 0.171 0.000 0.850 351 Q CB -0.635 28.235 28.738 0.219 0.000 0.901 351 Q HN 0.213 nan 8.270 nan 0.000 0.429 352 T N 0.973 115.626 114.554 0.166 0.000 2.674 352 T HA -0.191 4.159 4.350 0.001 0.000 0.265 352 T C 1.612 176.387 174.700 0.125 0.000 1.039 352 T CA 1.779 63.972 62.100 0.155 0.000 1.150 352 T CB -0.304 68.666 68.868 0.169 0.000 0.864 352 T HN 0.598 nan 8.240 nan 0.000 0.427 353 R N 1.434 122.035 120.500 0.169 0.000 2.115 353 R HA 0.049 4.389 4.340 0.001 0.000 0.230 353 R C 2.180 178.480 176.300 -0.000 0.000 1.111 353 R CA 1.239 57.353 56.100 0.023 0.000 0.976 353 R CB -0.239 30.036 30.300 -0.040 0.000 0.870 353 R HN 0.263 nan 8.270 nan 0.000 0.445 354 K N 0.920 121.346 120.400 0.043 0.000 2.025 354 K HA 0.013 4.333 4.320 0.001 0.000 0.207 354 K C 2.380 179.002 176.600 0.037 0.000 1.049 354 K CA 1.345 57.654 56.287 0.036 0.000 0.933 354 K CB -0.213 32.323 32.500 0.061 0.000 0.714 354 K HN 0.275 nan 8.250 nan 0.000 0.438 355 A N 1.108 123.963 122.820 0.059 0.000 1.933 355 A HA -0.170 4.150 4.320 0.001 0.000 0.218 355 A C 2.201 179.800 177.584 0.025 0.000 1.175 355 A CA 1.930 53.998 52.037 0.052 0.000 0.628 355 A CB -0.562 18.482 19.000 0.074 0.000 0.814 355 A HN 0.182 nan 8.150 nan 0.000 0.444 356 S N -0.590 115.115 115.700 0.009 0.000 2.368 356 S HA -0.138 4.333 4.470 0.001 0.000 0.225 356 S C 1.876 176.460 174.600 -0.026 0.000 1.030 356 S CA 1.456 59.644 58.200 -0.019 0.000 0.999 356 S CB -0.429 62.734 63.200 -0.062 0.000 0.844 356 S HN 0.519 nan 8.310 nan 0.000 0.459 357 L N 1.870 123.075 121.223 -0.030 0.000 2.027 357 L HA -0.089 4.252 4.340 0.001 0.000 0.206 357 L C 2.214 179.076 176.870 -0.013 0.000 1.074 357 L CA 1.791 56.613 54.840 -0.030 0.000 0.745 357 L CB -0.807 41.233 42.059 -0.033 0.000 0.898 357 L HN 0.243 nan 8.230 nan 0.000 0.433 358 Q N -0.493 119.307 119.800 -0.001 0.000 2.181 358 Q HA -0.155 4.185 4.340 0.001 0.000 0.205 358 Q C 1.179 177.182 176.000 0.005 0.000 0.980 358 Q CA 1.469 57.275 55.803 0.006 0.000 0.862 358 Q CB -0.195 28.554 28.738 0.017 0.000 0.905 358 Q HN 0.573 nan 8.270 nan 0.000 0.429 359 N N -0.770 117.933 118.700 0.004 0.000 2.322 359 N HA 0.060 4.800 4.740 0.001 0.000 0.194 359 N C 0.527 176.037 175.510 0.000 0.000 1.126 359 N CA 0.876 53.929 53.050 0.005 0.000 0.845 359 N CB 1.110 39.603 38.487 0.010 0.000 0.976 359 N HN 0.342 nan 8.380 nan 0.000 0.475 360 G N 0.716 109.513 108.800 -0.005 0.000 2.160 360 G HA2 -0.307 3.654 3.960 0.001 0.000 0.251 360 G HA3 -0.307 3.654 3.960 0.001 0.000 0.251 360 G C 0.336 175.230 174.900 -0.010 0.000 1.008 360 G CA 0.119 45.214 45.100 -0.008 0.000 0.724 360 G HN 0.379 nan 8.290 nan 0.000 0.514 361 C N 0.589 119.881 119.300 -0.014 0.000 2.700 361 C HA 0.482 4.942 4.460 0.001 0.000 0.397 361 C C 2.388 177.363 174.990 -0.026 0.000 1.301 361 C CA 0.412 59.421 59.018 -0.016 0.000 2.219 361 C CB 1.137 28.866 27.740 -0.020 0.000 2.699 361 C HN 0.957 nan 8.230 nan 0.000 0.669 362 S N 0.070 115.758 115.700 -0.021 0.000 2.489 362 S HA 0.030 4.500 4.470 0.001 0.000 0.228 362 S C 0.554 175.128 174.600 -0.042 0.000 0.995 362 S CA 0.793 58.979 58.200 -0.024 0.000 0.934 362 S CB -0.469 62.724 63.200 -0.011 0.000 0.771 362 S HN 1.002 nan 8.310 nan 0.000 0.522 363 T N -1.787 112.733 114.554 -0.057 0.000 2.865 363 T HA 0.488 4.838 4.350 0.001 0.000 0.294 363 T C 0.700 175.306 174.700 -0.157 0.000 1.119 363 T CA -0.037 62.005 62.100 -0.098 0.000 1.007 363 T CB 1.240 70.065 68.868 -0.072 0.000 1.225 363 T HN 0.107 nan 8.240 nan 0.000 0.515 364 T N -2.062 112.338 114.554 -0.256 0.000 3.163 364 T HA 0.233 4.583 4.350 0.001 0.000 0.260 364 T C 1.289 175.769 174.700 -0.367 0.000 1.156 364 T CA 0.483 62.369 62.100 -0.357 0.000 1.072 364 T CB -0.550 67.920 68.868 -0.662 0.000 0.937 364 T HN 1.049 nan 8.240 nan 0.000 0.528 365 G N 0.028 108.576 108.800 -0.420 0.000 4.637 365 G HA2 0.503 4.463 3.960 0.001 0.000 0.308 365 G HA3 0.503 4.463 3.960 0.001 0.000 0.308 365 G C 0.449 175.198 174.900 -0.251 0.000 1.377 365 G CA 0.105 44.725 45.100 -0.801 0.000 1.176 365 G HN 0.684 nan 8.290 nan 0.000 0.601 366 E N -0.872 119.259 120.200 -0.114 0.000 2.722 366 E HA -0.029 4.321 4.350 0.001 0.000 0.265 366 E C 2.048 178.663 176.600 0.025 0.000 1.081 366 E CA 1.695 58.097 56.400 0.003 0.000 0.781 366 E CB -2.117 27.632 29.700 0.082 0.000 1.372 366 E HN 2.417 nan 8.360 nan 0.000 0.423 367 G N -2.312 106.484 108.800 -0.006 0.000 2.176 367 G HA2 -0.163 3.797 3.960 0.001 0.000 0.253 367 G HA3 -0.163 3.797 3.960 0.001 0.000 0.253 367 G C 0.527 175.457 174.900 0.051 0.000 0.979 367 G CA 0.487 45.596 45.100 0.015 0.000 0.641 367 G HN 1.392 nan 8.290 nan 0.000 0.530 368 L N -0.033 121.252 121.223 0.104 0.000 2.375 368 L HA 0.556 4.896 4.340 0.001 0.000 0.268 368 L C 1.570 178.560 176.870 0.200 0.000 1.058 368 L CA -0.323 54.618 54.840 0.168 0.000 0.803 368 L CB 1.278 43.495 42.059 0.265 0.000 1.212 368 L HN 0.245 nan 8.230 nan 0.000 0.451 369 E N 1.080 121.372 120.200 0.153 0.000 2.060 369 E HA 0.002 4.353 4.350 0.001 0.000 0.189 369 E C 0.141 176.851 176.600 0.183 0.000 0.974 369 E CA 0.709 57.185 56.400 0.126 0.000 0.808 369 E CB 0.418 30.142 29.700 0.040 0.000 0.768 369 E HN 0.392 nan 8.360 nan 0.000 0.453 370 M N 0.251 119.897 119.600 0.078 0.000 2.598 370 M HA 0.529 5.009 4.480 0.001 0.000 0.317 370 M C 0.282 176.281 176.300 -0.502 0.000 1.201 370 M CA -0.577 54.662 55.300 -0.102 0.000 0.971 370 M CB 1.334 33.852 32.600 -0.137 0.000 1.657 370 M HN 0.125 nan 8.290 nan 0.000 0.470 371 G N -0.023 108.191 108.800 -0.978 0.000 2.695 371 G HA2 0.683 4.643 3.960 0.001 0.000 0.290 371 G HA3 0.683 4.643 3.960 0.001 0.000 0.290 371 G C -2.079 172.284 174.900 -0.896 0.000 1.410 371 G CA -0.569 43.462 45.100 -1.781 0.000 0.844 371 G HN 0.600 nan 8.290 nan 0.000 0.478 372 V N 0.122 119.489 119.914 -0.911 0.000 2.789 372 V HA 0.839 4.960 4.120 0.001 0.000 0.311 372 V C -1.239 174.449 176.094 -0.677 0.000 1.073 372 V CA -0.913 60.948 62.300 -0.732 0.000 0.921 372 V CB 1.768 33.072 31.823 -0.864 0.000 1.009 372 V HN 0.869 nan 8.190 nan 0.000 0.426 373 L N 5.772 126.629 121.223 -0.611 0.000 2.385 373 L HA 0.723 5.063 4.340 0.001 0.000 0.273 373 L C -1.860 174.701 176.870 -0.515 0.000 0.990 373 L CA -0.306 54.295 54.840 -0.399 0.000 0.821 373 L CB 1.713 43.618 42.059 -0.255 0.000 1.279 373 L HN 0.632 nan 8.230 nan 0.000 0.412 374 F N 2.585 122.416 119.950 -0.197 0.000 2.520 374 F HA 0.744 5.271 4.527 0.000 0.000 0.322 374 F C 0.659 176.146 175.800 -0.522 0.000 1.103 374 F CA -0.656 57.139 58.000 -0.341 0.000 0.926 374 F CB 2.283 41.056 39.000 -0.378 0.000 1.154 374 F HN 0.444 nan 8.300 nan 0.000 0.453 375 G N 2.682 111.325 108.800 -0.262 0.000 2.461 375 G HA2 0.663 4.623 3.960 0.001 0.000 0.323 375 G HA3 0.663 4.623 3.960 0.001 0.000 0.323 375 G C -1.879 172.869 174.900 -0.254 0.000 1.229 375 G CA -0.388 44.546 45.100 -0.277 0.000 0.941 375 G HN 0.275 nan 8.290 nan 0.000 0.477 376 F N 0.588 120.602 119.950 0.107 0.000 2.532 376 F HA 0.884 5.411 4.527 0.000 0.000 0.321 376 F C 0.682 176.561 175.800 0.132 0.000 1.089 376 F CA -0.791 57.290 58.000 0.136 0.000 0.926 376 F CB 2.543 41.646 39.000 0.171 0.000 1.168 376 F HN 0.844 nan 8.300 nan 0.000 0.459 377 G N 0.908 109.981 108.800 0.455 0.000 2.490 377 G HA2 0.503 4.463 3.960 0.001 0.000 0.308 377 G HA3 0.503 4.463 3.960 0.001 0.000 0.308 377 G C -3.383 171.745 174.900 0.379 0.000 1.286 377 G CA -1.279 44.072 45.100 0.418 0.000 0.825 377 G HN 0.238 nan 8.290 nan 0.000 0.479 378 P HA 0.286 nan 4.420 nan 0.000 0.260 378 P C 0.749 178.173 177.300 0.208 0.000 1.172 378 P CA 1.957 65.195 63.100 0.231 0.000 0.760 378 P CB 0.956 32.768 31.700 0.187 0.000 0.773 379 G N 2.944 111.808 108.800 0.107 0.000 4.444 379 G HA2 -0.100 3.860 3.960 0.001 0.000 0.158 379 G HA3 -0.100 3.860 3.960 0.001 0.000 0.158 379 G C -0.470 174.445 174.900 0.024 0.000 1.789 379 G CA -0.461 44.663 45.100 0.041 0.000 0.886 379 G HN 0.534 nan 8.290 nan 0.000 0.284 380 L N 2.997 124.234 121.223 0.023 0.000 2.410 380 L HA 0.582 4.922 4.340 0.001 0.000 0.273 380 L C -0.194 176.674 176.870 -0.003 0.000 1.152 380 L CA 0.210 55.072 54.840 0.036 0.000 0.855 380 L CB 1.169 43.242 42.059 0.024 0.000 1.129 380 L HN 0.286 nan 8.230 nan 0.000 0.463 381 T N 6.206 120.747 114.554 -0.020 0.000 2.824 381 T HA 0.555 4.905 4.350 0.001 0.000 0.280 381 T C -0.229 174.421 174.700 -0.083 0.000 0.995 381 T CA -0.245 61.729 62.100 -0.210 0.000 1.009 381 T CB 1.100 69.522 68.868 -0.744 0.000 0.955 381 T HN 0.360 nan 8.240 nan 0.000 0.452 382 I N 2.813 123.350 120.570 -0.055 0.000 2.410 382 I HA 0.309 4.480 4.170 0.001 0.000 0.286 382 I C -0.018 176.122 176.117 0.039 0.000 1.009 382 I CA -0.802 60.582 61.300 0.139 0.000 1.111 382 I CB 1.675 39.816 38.000 0.235 0.000 1.262 382 I HN 0.396 nan 8.210 nan 0.000 0.443 383 E N 4.879 125.106 120.200 0.044 0.000 2.156 383 E HA 0.389 4.739 4.350 0.001 0.000 0.279 383 E C -0.790 175.835 176.600 0.042 0.000 0.965 383 E CA -0.342 56.052 56.400 -0.009 0.000 0.789 383 E CB 2.206 31.902 29.700 -0.008 0.000 1.098 383 E HN 0.424 nan 8.360 nan 0.000 0.397 384 T N 1.880 116.416 114.554 -0.030 0.000 2.779 384 T HA 0.411 4.762 4.350 0.001 0.000 0.280 384 T C -0.280 174.288 174.700 -0.219 0.000 0.987 384 T CA -0.544 61.457 62.100 -0.164 0.000 0.966 384 T CB 1.237 70.115 68.868 0.016 0.000 0.933 384 T HN 0.081 nan 8.240 nan 0.000 0.442 385 V N 3.949 123.670 119.914 -0.321 0.000 2.443 385 V HA 0.373 4.493 4.120 0.001 0.000 0.293 385 V C -0.137 175.808 176.094 -0.248 0.000 1.021 385 V CA -0.853 61.315 62.300 -0.220 0.000 0.848 385 V CB 1.866 33.574 31.823 -0.192 0.000 0.998 385 V HN 0.706 nan 8.190 nan 0.000 0.424 386 V N 6.948 126.790 119.914 -0.120 0.000 2.432 386 V HA 0.462 4.582 4.120 0.001 0.000 0.275 386 V C -0.003 175.990 176.094 -0.168 0.000 1.043 386 V CA -0.133 62.049 62.300 -0.196 0.000 0.925 386 V CB 1.304 33.015 31.823 -0.186 0.000 0.985 386 V HN 0.625 nan 8.190 nan 0.000 0.466 387 L N 4.664 125.756 121.223 -0.218 0.000 2.319 387 L HA 0.679 5.019 4.340 0.001 0.000 0.267 387 L C -0.240 176.602 176.870 -0.047 0.000 1.011 387 L CA -0.784 53.994 54.840 -0.102 0.000 0.818 387 L CB 2.031 44.074 42.059 -0.027 0.000 1.316 387 L HN 0.493 nan 8.230 nan 0.000 0.432 388 K N 0.841 121.279 120.400 0.064 0.000 2.345 388 K HA 0.473 4.793 4.320 0.001 0.000 0.255 388 K C -0.305 176.459 176.600 0.274 0.000 0.934 388 K CA -0.481 55.854 56.287 0.080 0.000 0.801 388 K CB 1.789 34.211 32.500 -0.131 0.000 1.137 388 K HN 0.754 nan 8.250 nan 0.000 0.424 389 S N 1.366 117.257 115.700 0.319 0.000 2.641 389 S HA 0.376 4.846 4.470 0.001 0.000 0.261 389 S C -0.059 174.514 174.600 -0.044 0.000 1.257 389 S CA -0.730 57.540 58.200 0.116 0.000 0.983 389 S CB 1.126 64.330 63.200 0.006 0.000 0.990 389 S HN 0.284 nan 8.310 nan 0.000 0.572 390 V N 2.015 121.820 119.914 -0.183 0.000 2.656 390 V HA 0.464 4.584 4.120 0.001 0.000 0.307 390 V C -2.546 173.469 176.094 -0.131 0.000 1.051 390 V CA -2.161 60.051 62.300 -0.146 0.000 0.893 390 V CB 1.467 33.176 31.823 -0.190 0.000 0.999 390 V HN 0.765 nan 8.190 nan 0.000 0.426 391 P HA 0.257 nan 4.420 nan 0.000 0.266 391 P C -0.507 176.748 177.300 -0.074 0.000 1.195 391 P CA 0.382 63.444 63.100 -0.064 0.000 0.768 391 P CB 0.574 32.251 31.700 -0.038 0.000 0.838 392 I N 0.000 120.530 120.570 -0.067 0.000 2.984 392 I HA 0.000 4.170 4.170 0.001 0.000 0.288 392 I CA 0.000 61.262 61.300 -0.064 0.000 1.566 392 I CB 0.000 37.959 38.000 -0.069 0.000 1.214 392 I HN 0.000 nan 8.210 nan 0.000 0.494