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 2v8v_1_C DATA FIRST_RESID 23 DATA SEQUENCE PAAAPLSIAS GRLNQTILET GSQFGGVARW GQESHEFGMR RLAGTALDGA DATA SEQUENCE MRDWFTNECE SLGCKVKVDK IGNMFAVYPG KNGGKPTATG SHLDTQPEAG DATA SEQUENCE KYDGILGVLA GLEVLRTFKD NNYVPNYDVC VVVWFNEEGA RFARSCTGSS DATA SEQUENCE VWSHDLSLEE AYGLMSVGED KPESVYDSLK NIGYIGDTPA SYKENEIDAH DATA SEQUENCE FELHIEQGPI LEDENKAIGI VTGVQAYNWQ KVTVHGVGAH AGTTPWRLRK DATA SEQUENCE DALLMSSKMI VAASEIAQRH NGLFTCGIID AKPYSVNIIP GEVSFTLDFA DATA SEQUENCE HPSDDVLATM LKEAAAEFDR LIKINDGGAL SYESETLQVS PAVNFHEVCI DATA SEQUENCE ECVSRSAFAQ FKKDQVRQIW SGAGHDSCQT APHVPTSMIF IPSKDGLSHN DATA SEQUENCE YYEYSSPEEI ENGFKVLLQA IINYDNYRVI R 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 23 P HA 0.000 nan 4.420 nan 0.000 0.216 23 P C 0.000 177.332 177.300 0.053 0.000 1.155 23 P CA 0.000 63.136 63.100 0.060 0.000 0.800 23 P CB 0.000 31.748 31.700 0.080 0.000 0.726 24 A N 1.626 124.473 122.820 0.045 0.000 2.640 24 A HA 0.617 4.937 4.320 0.001 0.000 0.282 24 A C 0.885 178.486 177.584 0.028 0.000 1.357 24 A CA 0.470 52.528 52.037 0.034 0.000 0.946 24 A CB -0.946 18.071 19.000 0.028 0.000 1.065 24 A HN 1.563 nan 8.150 nan 0.000 0.541 25 A N -0.668 122.172 122.820 0.032 0.000 1.417 25 A HA 0.134 4.455 4.320 0.001 0.000 0.175 25 A C 0.636 178.217 177.584 -0.004 0.000 1.209 25 A CA 0.472 52.516 52.037 0.011 0.000 0.621 25 A CB -1.552 17.445 19.000 -0.006 0.000 1.088 25 A HN 2.219 nan 8.150 nan 0.000 0.157 26 A N 5.635 128.451 122.820 -0.006 0.000 2.491 26 A HA 0.580 4.901 4.320 0.001 0.000 0.261 26 A C -1.425 176.113 177.584 -0.076 0.000 1.101 26 A CA -0.506 51.522 52.037 -0.015 0.000 0.772 26 A CB -0.204 18.817 19.000 0.035 0.000 1.043 26 A HN 0.873 nan 8.150 nan 0.000 0.501 27 P HA 0.447 nan 4.420 nan 0.000 0.287 27 P C -0.944 176.324 177.300 -0.053 0.000 1.294 27 P CA 0.038 63.101 63.100 -0.061 0.000 0.776 27 P CB 0.751 32.427 31.700 -0.040 0.000 0.889 28 L N 2.106 123.283 121.223 -0.076 0.000 2.334 28 L HA 0.426 4.766 4.340 0.001 0.000 0.276 28 L C 0.573 177.429 176.870 -0.023 0.000 1.014 28 L CA -0.871 53.944 54.840 -0.041 0.000 0.815 28 L CB 1.757 43.784 42.059 -0.053 0.000 1.268 28 L HN 0.298 nan 8.230 nan 0.000 0.428 29 S N 2.891 118.595 115.700 0.008 0.000 2.531 29 S HA 0.560 5.030 4.470 0.001 0.000 0.279 29 S C -0.307 174.316 174.600 0.038 0.000 1.305 29 S CA -0.725 57.485 58.200 0.017 0.000 1.058 29 S CB 0.481 63.695 63.200 0.023 0.000 0.899 29 S HN 0.499 nan 8.310 nan 0.000 0.493 30 I N -0.947 119.656 120.570 0.054 0.000 2.562 30 I HA 0.815 4.985 4.170 0.001 0.000 0.301 30 I C 0.057 176.217 176.117 0.073 0.000 1.003 30 I CA -1.527 59.836 61.300 0.105 0.000 1.127 30 I CB 1.526 39.666 38.000 0.235 0.000 1.304 30 I HN 0.608 nan 8.210 nan 0.000 0.446 31 A N 4.139 126.991 122.820 0.054 0.000 2.545 31 A HA 0.307 4.627 4.320 0.001 0.000 0.297 31 A C 0.492 178.086 177.584 0.016 0.000 1.340 31 A CA -0.063 51.989 52.037 0.024 0.000 1.016 31 A CB -0.636 18.369 19.000 0.007 0.000 1.122 31 A HN 0.768 nan 8.150 nan 0.000 0.537 32 S N 1.987 117.702 115.700 0.025 0.000 2.525 32 S HA 0.412 4.883 4.470 0.001 0.000 0.285 32 S C 1.566 176.170 174.600 0.006 0.000 1.283 32 S CA 1.162 59.377 58.200 0.025 0.000 1.072 32 S CB 0.027 63.243 63.200 0.027 0.000 0.867 32 S HN 2.186 nan 8.310 nan 0.000 0.492 33 G N 4.321 113.119 108.800 -0.002 0.000 2.199 33 G HA2 -0.305 3.655 3.960 0.001 0.000 0.254 33 G HA3 -0.305 3.655 3.960 0.001 0.000 0.254 33 G C 0.919 175.802 174.900 -0.030 0.000 0.982 33 G CA 0.653 45.745 45.100 -0.012 0.000 0.632 33 G HN 0.697 nan 8.290 nan 0.000 0.529 34 R N -0.219 120.251 120.500 -0.050 0.000 2.092 34 R HA 0.149 4.490 4.340 0.001 0.000 0.231 34 R C 2.547 178.797 176.300 -0.084 0.000 1.119 34 R CA 1.829 57.895 56.100 -0.056 0.000 0.970 34 R CB -0.297 29.966 30.300 -0.062 0.000 0.864 34 R HN 0.514 nan 8.270 nan 0.000 0.440 35 L N 1.384 122.506 121.223 -0.168 0.000 2.017 35 L HA -0.169 4.171 4.340 0.001 0.000 0.208 35 L C 1.736 178.561 176.870 -0.074 0.000 1.073 35 L CA 2.138 56.865 54.840 -0.188 0.000 0.745 35 L CB -1.020 40.834 42.059 -0.342 0.000 0.894 35 L HN 0.225 nan 8.230 nan 0.000 0.432 36 N N -1.161 117.510 118.700 -0.049 0.000 2.043 36 N HA -0.240 4.500 4.740 0.001 0.000 0.193 36 N C 1.849 177.372 175.510 0.022 0.000 1.037 36 N CA 1.611 54.664 53.050 0.005 0.000 0.851 36 N CB -0.101 38.385 38.487 -0.001 0.000 1.027 36 N HN 0.386 nan 8.380 nan 0.000 0.422 37 Q N -0.392 119.413 119.800 0.008 0.000 2.096 37 Q HA -0.154 4.186 4.340 0.001 0.000 0.208 37 Q C 2.068 178.074 176.000 0.011 0.000 0.993 37 Q CA 2.028 57.840 55.803 0.015 0.000 0.862 37 Q CB -1.102 27.643 28.738 0.011 0.000 0.915 37 Q HN 0.516 nan 8.270 nan 0.000 0.416 38 T N 1.530 116.090 114.554 0.010 0.000 2.777 38 T HA -0.033 4.317 4.350 0.001 0.000 0.266 38 T C 2.094 176.778 174.700 -0.027 0.000 1.040 38 T CA 0.837 62.949 62.100 0.020 0.000 1.141 38 T CB -0.205 68.714 68.868 0.085 0.000 0.868 38 T HN 0.188 nan 8.240 nan 0.000 0.444 39 I N 0.872 121.436 120.570 -0.010 0.000 2.163 39 I HA -0.164 4.006 4.170 0.001 0.000 0.243 39 I C 2.273 178.368 176.117 -0.037 0.000 1.085 39 I CA 1.354 62.639 61.300 -0.027 0.000 1.347 39 I CB -0.405 37.608 38.000 0.022 0.000 1.044 39 I HN 0.201 nan 8.210 nan 0.000 0.408 40 L N -0.054 121.175 121.223 0.011 0.000 2.109 40 L HA -0.171 4.169 4.340 0.001 0.000 0.207 40 L C 2.459 179.373 176.870 0.073 0.000 1.086 40 L CA 1.314 56.206 54.840 0.087 0.000 0.760 40 L CB -0.504 41.623 42.059 0.114 0.000 0.910 40 L HN 0.252 nan 8.230 nan 0.000 0.437 41 E N -0.193 119.985 120.200 -0.038 0.000 2.028 41 E HA -0.179 4.171 4.350 0.001 0.000 0.190 41 E C 2.170 178.619 176.600 -0.252 0.000 0.984 41 E CA 1.904 58.223 56.400 -0.136 0.000 0.800 41 E CB 0.001 29.628 29.700 -0.122 0.000 0.758 41 E HN 0.543 nan 8.360 nan 0.000 0.448 42 T N -1.267 113.110 114.554 -0.296 0.000 2.720 42 T HA -0.144 4.207 4.350 0.001 0.000 0.268 42 T C 2.080 176.670 174.700 -0.183 0.000 1.037 42 T CA 1.165 63.040 62.100 -0.375 0.000 1.144 42 T CB -1.014 67.584 68.868 -0.449 0.000 0.864 42 T HN 0.230 nan 8.240 nan 0.000 0.444 43 G N 0.919 109.676 108.800 -0.073 0.000 2.446 43 G HA2 -0.256 3.704 3.960 0.001 0.000 0.217 43 G HA3 -0.256 3.704 3.960 0.001 0.000 0.217 43 G C 1.905 176.808 174.900 0.004 0.000 1.168 43 G CA 1.319 46.460 45.100 0.068 0.000 0.771 43 G HN 0.589 nan 8.290 nan 0.000 0.551 44 S N -0.408 115.178 115.700 -0.190 0.000 2.348 44 S HA -0.162 4.309 4.470 0.001 0.000 0.221 44 S C 2.348 176.657 174.600 -0.485 0.000 1.033 44 S CA 1.923 59.746 58.200 -0.628 0.000 1.010 44 S CB -0.353 62.473 63.200 -0.624 0.000 0.891 44 S HN 0.482 nan 8.310 nan 0.000 0.442 45 Q N -1.224 118.269 119.800 -0.511 0.000 2.297 45 Q HA 0.078 4.418 4.340 0.001 0.000 0.204 45 Q C -0.489 175.013 176.000 -0.830 0.000 0.962 45 Q CA 0.731 56.084 55.803 -0.750 0.000 0.879 45 Q CB 0.172 28.298 28.738 -1.021 0.000 0.947 45 Q HN 0.646 nan 8.270 nan 0.000 0.462 46 F N -0.790 119.055 119.950 -0.174 0.000 2.622 46 F HA 0.359 4.887 4.527 0.001 0.000 0.338 46 F C 0.525 176.273 175.800 -0.086 0.000 1.334 46 F CA -0.181 57.746 58.000 -0.122 0.000 1.179 46 F CB 1.701 40.624 39.000 -0.128 0.000 1.471 46 F HN 0.042 nan 8.300 nan 0.000 0.576 47 G N 0.303 109.140 108.800 0.062 0.000 2.183 47 G HA2 -0.158 3.802 3.960 0.001 0.000 0.168 47 G HA3 -0.158 3.802 3.960 0.001 0.000 0.168 47 G C 0.444 175.351 174.900 0.011 0.000 1.008 47 G CA -0.538 44.588 45.100 0.043 0.000 0.677 47 G HN 0.900 nan 8.290 nan 0.000 0.498 48 G N 0.310 109.070 108.800 -0.066 0.000 2.299 48 G HA2 0.620 4.580 3.960 0.001 0.000 0.256 48 G HA3 0.620 4.580 3.960 0.001 0.000 0.256 48 G C 0.404 175.232 174.900 -0.119 0.000 1.259 48 G CA 0.819 45.855 45.100 -0.108 0.000 0.943 48 G HN 1.665 nan 8.290 nan 0.000 0.479 49 V N -0.315 119.567 119.914 -0.054 0.000 3.141 49 V HA 0.853 4.974 4.120 0.001 0.000 0.312 49 V C 0.806 176.761 176.094 -0.231 0.000 1.157 49 V CA -0.341 61.883 62.300 -0.128 0.000 1.041 49 V CB 1.232 33.007 31.823 -0.080 0.000 1.071 49 V HN 2.522 nan 8.190 nan 0.000 0.441 50 A N 0.638 123.311 122.820 -0.245 0.000 2.687 50 A HA -0.239 4.081 4.320 0.001 0.000 0.299 50 A C 0.781 178.266 177.584 -0.164 0.000 1.497 50 A CA 1.405 53.274 52.037 -0.280 0.000 0.751 50 A CB -1.833 16.785 19.000 -0.638 0.000 1.048 50 A HN 1.842 nan 8.150 nan 0.000 0.464 51 R N -0.578 119.839 120.500 -0.138 0.000 2.504 51 R HA 0.147 4.487 4.340 0.001 0.000 0.291 51 R C 0.747 177.009 176.300 -0.063 0.000 0.974 51 R CA 1.050 57.051 56.100 -0.165 0.000 1.077 51 R CB -0.032 30.153 30.300 -0.192 0.000 0.926 51 R HN 1.177 nan 8.270 nan 0.000 0.407 52 W N 3.844 125.079 121.300 -0.108 0.000 3.005 52 W HA 0.533 5.193 4.660 0.001 0.000 0.374 52 W C -0.137 176.355 176.519 -0.045 0.000 1.076 52 W CA 0.060 57.361 57.345 -0.072 0.000 1.794 52 W CB 0.344 29.765 29.460 -0.066 0.000 1.113 52 W HN 0.740 nan 8.180 nan 0.000 0.584 53 G N 0.338 109.025 108.800 -0.189 0.000 2.430 53 G HA2 0.153 4.113 3.960 0.001 0.000 0.300 53 G HA3 0.153 4.113 3.960 0.001 0.000 0.300 53 G C -0.003 174.783 174.900 -0.191 0.000 1.330 53 G CA -0.455 44.569 45.100 -0.127 0.000 0.813 53 G HN -0.085 nan 8.290 nan 0.000 0.487 54 Q N -0.270 119.453 119.800 -0.127 0.000 2.402 54 Q HA 0.116 4.457 4.340 0.001 0.000 0.206 54 Q C 0.245 176.174 176.000 -0.118 0.000 0.919 54 Q CA 0.375 56.114 55.803 -0.108 0.000 0.923 54 Q CB 0.368 29.071 28.738 -0.059 0.000 1.048 54 Q HN 0.537 nan 8.270 nan 0.000 0.515 55 E N 1.739 121.845 120.200 -0.157 0.000 2.415 55 E HA -0.024 4.326 4.350 0.001 0.000 0.262 55 E C 1.158 177.665 176.600 -0.156 0.000 1.038 55 E CA 0.281 56.597 56.400 -0.140 0.000 0.921 55 E CB 0.906 30.465 29.700 -0.235 0.000 0.950 55 E HN 0.186 nan 8.360 nan 0.000 0.438 56 S N 2.334 118.036 115.700 0.004 0.000 2.419 56 S HA -0.201 4.270 4.470 0.001 0.000 0.235 56 S C 1.339 176.027 174.600 0.147 0.000 1.019 56 S CA 1.499 59.736 58.200 0.062 0.000 0.982 56 S CB -0.345 62.914 63.200 0.100 0.000 0.789 56 S HN 0.681 nan 8.310 nan 0.000 0.490 57 H N -0.066 118.988 119.070 -0.027 0.000 2.551 57 H HA 0.385 4.941 4.556 0.001 0.000 0.271 57 H C -0.116 174.938 175.328 -0.456 0.000 0.984 57 H CA -0.107 55.851 56.048 -0.149 0.000 1.164 57 H CB -0.437 29.337 29.762 0.019 0.000 1.437 57 H HN 0.530 nan 8.280 nan 0.000 0.550 58 E N 1.515 121.205 120.200 -0.851 0.000 2.232 58 E HA 0.243 4.593 4.350 0.001 0.000 0.296 58 E C -1.015 174.520 176.600 -1.776 0.000 1.372 58 E CA -0.400 55.026 56.400 -1.623 0.000 1.527 58 E CB -0.184 28.673 29.700 -1.406 0.000 1.424 58 E HN 0.434 nan 8.360 nan 0.000 0.485 59 F N -2.330 116.766 119.950 -1.422 0.000 2.711 59 F HA 0.773 5.300 4.527 0.001 0.000 0.313 59 F C -0.014 175.583 175.800 -0.338 0.000 1.141 59 F CA -1.239 56.273 58.000 -0.814 0.000 0.941 59 F CB 0.710 39.410 39.000 -0.499 0.000 1.349 59 F HN -0.070 nan 8.300 nan 0.000 0.464 60 G N 0.921 109.711 108.800 -0.017 0.000 2.820 60 G HA2 0.709 4.669 3.960 0.001 0.000 0.291 60 G HA3 0.709 4.669 3.960 0.001 0.000 0.291 60 G C -1.467 173.521 174.900 0.147 0.000 1.323 60 G CA -1.128 44.008 45.100 0.060 0.000 1.055 60 G HN 0.564 nan 8.290 nan 0.000 0.520 61 M N -0.046 119.685 119.600 0.220 0.000 2.591 61 M HA 0.543 5.023 4.480 0.001 0.000 0.306 61 M C -0.639 175.771 176.300 0.184 0.000 1.190 61 M CA -0.729 54.668 55.300 0.163 0.000 0.889 61 M CB 2.299 34.955 32.600 0.093 0.000 1.728 61 M HN 0.644 nan 8.290 nan 0.000 0.458 62 R N 1.688 122.258 120.500 0.116 0.000 2.713 62 R HA 0.389 4.729 4.340 0.001 0.000 0.282 62 R C -1.210 175.123 176.300 0.055 0.000 1.472 62 R CA -0.208 55.946 56.100 0.090 0.000 1.060 62 R CB 1.067 31.427 30.300 0.100 0.000 1.237 62 R HN 0.813 nan 8.270 nan 0.000 0.484 63 R N 6.082 126.607 120.500 0.042 0.000 2.644 63 R HA 0.267 4.607 4.340 0.001 0.000 0.271 63 R C -0.968 175.344 176.300 0.020 0.000 1.687 63 R CA -0.393 55.727 56.100 0.033 0.000 1.655 63 R CB 0.486 30.808 30.300 0.036 0.000 1.285 63 R HN 0.480 nan 8.270 nan 0.000 0.643 64 L N 1.965 123.196 121.223 0.013 0.000 2.439 64 L HA 0.353 4.693 4.340 0.001 0.000 0.269 64 L C 0.879 177.765 176.870 0.027 0.000 1.179 64 L CA -0.326 54.513 54.840 -0.002 0.000 0.828 64 L CB 1.035 43.076 42.059 -0.029 0.000 1.106 64 L HN 0.442 nan 8.230 nan 0.000 0.467 65 A N 1.856 124.690 122.820 0.024 0.000 2.498 65 A HA 0.420 4.740 4.320 0.001 0.000 0.239 65 A C 1.256 179.022 177.584 0.304 0.000 1.068 65 A CA 0.489 52.574 52.037 0.081 0.000 0.766 65 A CB -0.156 18.757 19.000 -0.144 0.000 1.003 65 A HN 1.122 nan 8.150 nan 0.000 0.497 66 G N 1.365 110.420 108.800 0.426 0.000 2.234 66 G HA2 -0.241 3.719 3.960 0.001 0.000 0.260 66 G HA3 -0.241 3.719 3.960 0.001 0.000 0.260 66 G C 0.697 175.731 174.900 0.224 0.000 0.987 66 G CA 1.353 46.714 45.100 0.435 0.000 0.625 66 G HN 2.085 nan 8.290 nan 0.000 0.532 67 T N -1.665 112.978 114.554 0.148 0.000 2.828 67 T HA 0.678 5.029 4.350 0.001 0.000 0.290 67 T C 1.809 176.540 174.700 0.051 0.000 1.019 67 T CA 0.565 62.715 62.100 0.083 0.000 1.031 67 T CB 1.570 70.468 68.868 0.050 0.000 1.001 67 T HN 1.479 nan 8.240 nan 0.000 0.531 68 A N 1.104 123.950 122.820 0.042 0.000 1.958 68 A HA -0.048 4.272 4.320 0.001 0.000 0.221 68 A C 2.340 179.929 177.584 0.010 0.000 1.178 68 A CA 1.645 53.700 52.037 0.031 0.000 0.642 68 A CB -1.139 17.883 19.000 0.037 0.000 0.816 68 A HN 0.860 nan 8.150 nan 0.000 0.453 69 L N -0.889 120.344 121.223 0.016 0.000 2.017 69 L HA -0.199 4.142 4.340 0.001 0.000 0.208 69 L C 2.487 179.319 176.870 -0.064 0.000 1.073 69 L CA 1.636 56.478 54.840 0.004 0.000 0.745 69 L CB -0.568 41.517 42.059 0.045 0.000 0.894 69 L HN 0.395 nan 8.230 nan 0.000 0.432 70 D N 0.110 120.485 120.400 -0.042 0.000 2.116 70 D HA -0.186 4.454 4.640 0.001 0.000 0.193 70 D C 2.060 178.251 176.300 -0.181 0.000 0.998 70 D CA 1.609 55.561 54.000 -0.079 0.000 0.836 70 D CB -0.235 40.559 40.800 -0.010 0.000 0.951 70 D HN 0.265 nan 8.370 nan 0.000 0.449 71 G N 0.300 109.006 108.800 -0.157 0.000 2.491 71 G HA2 -0.244 3.716 3.960 0.001 0.000 0.218 71 G HA3 -0.244 3.716 3.960 0.001 0.000 0.218 71 G C 1.784 176.599 174.900 -0.142 0.000 1.180 71 G CA 1.880 46.880 45.100 -0.166 0.000 0.774 71 G HN 0.479 nan 8.290 nan 0.000 0.562 72 A N 0.117 122.821 122.820 -0.192 0.000 1.908 72 A HA -0.087 4.233 4.320 0.001 0.000 0.218 72 A C 2.352 179.507 177.584 -0.715 0.000 1.181 72 A CA 2.565 54.372 52.037 -0.383 0.000 0.627 72 A CB -0.408 18.356 19.000 -0.393 0.000 0.818 72 A HN 0.428 nan 8.150 nan 0.000 0.445 73 M N -0.224 118.977 119.600 -0.666 0.000 2.132 73 M HA -0.058 4.423 4.480 0.001 0.000 0.263 73 M C 1.996 178.274 176.300 -0.038 0.000 1.065 73 M CA 1.588 56.601 55.300 -0.479 0.000 1.122 73 M CB -0.576 31.879 32.600 -0.242 0.000 1.365 73 M HN 0.385 nan 8.290 nan 0.000 0.411 74 R N 0.085 120.548 120.500 -0.061 0.000 2.081 74 R HA -0.135 4.205 4.340 0.001 0.000 0.235 74 R C 1.751 178.233 176.300 0.304 0.000 1.131 74 R CA 1.627 57.788 56.100 0.101 0.000 0.960 74 R CB -0.594 29.561 30.300 -0.240 0.000 0.856 74 R HN 0.449 nan 8.270 nan 0.000 0.436 75 D N -0.445 120.088 120.400 0.220 0.000 2.117 75 D HA -0.208 4.432 4.640 0.001 0.000 0.197 75 D C 1.479 177.889 176.300 0.183 0.000 0.987 75 D CA 0.899 55.023 54.000 0.207 0.000 0.829 75 D CB -0.347 40.540 40.800 0.145 0.000 0.961 75 D HN 0.321 nan 8.370 nan 0.000 0.460 76 W N 0.837 122.142 121.300 0.010 0.000 2.355 76 W HA -0.228 4.432 4.660 0.001 0.000 0.309 76 W C 2.099 178.702 176.519 0.139 0.000 1.206 76 W CA 1.005 58.400 57.345 0.084 0.000 1.284 76 W CB -0.555 28.983 29.460 0.130 0.000 1.145 76 W HN -0.099 nan 8.180 nan 0.000 0.502 77 F N 1.539 121.631 119.950 0.237 0.000 2.126 77 F HA -0.235 4.292 4.527 0.001 0.000 0.299 77 F C 2.345 178.083 175.800 -0.103 0.000 1.096 77 F CA 2.578 60.606 58.000 0.047 0.000 1.255 77 F CB -0.956 38.152 39.000 0.180 0.000 0.997 77 F HN -0.231 nan 8.300 nan 0.000 0.479 78 T N 0.458 114.998 114.554 -0.023 0.000 2.652 78 T HA -0.235 4.115 4.350 0.001 0.000 0.267 78 T C 1.898 176.461 174.700 -0.228 0.000 1.039 78 T CA 1.720 63.745 62.100 -0.125 0.000 1.153 78 T CB -0.612 68.274 68.868 0.031 0.000 0.863 78 T HN 0.384 nan 8.240 nan 0.000 0.428 79 N N 0.454 119.024 118.700 -0.217 0.000 2.094 79 N HA -0.148 4.593 4.740 0.001 0.000 0.191 79 N C 1.937 177.247 175.510 -0.333 0.000 1.023 79 N CA 1.054 53.959 53.050 -0.241 0.000 0.857 79 N CB -0.057 38.301 38.487 -0.214 0.000 1.013 79 N HN 0.387 nan 8.380 nan 0.000 0.426 80 E N 0.789 120.668 120.200 -0.534 0.000 2.047 80 E HA -0.102 4.249 4.350 0.001 0.000 0.191 80 E C 2.299 178.683 176.600 -0.360 0.000 0.987 80 E CA 0.591 56.679 56.400 -0.520 0.000 0.799 80 E CB -0.660 28.569 29.700 -0.785 0.000 0.752 80 E HN 0.416 nan 8.360 nan 0.000 0.449 81 C N 1.171 120.210 119.300 -0.435 0.000 2.425 81 C HA -0.071 4.389 4.460 0.001 0.000 0.277 81 C C 2.459 177.352 174.990 -0.161 0.000 1.280 81 C CA 0.473 59.301 59.018 -0.317 0.000 1.744 81 C CB -0.761 26.705 27.740 -0.458 0.000 1.989 81 C HN 0.476 nan 8.230 nan 0.000 0.491 82 E N 1.242 121.340 120.200 -0.171 0.000 2.208 82 E HA -0.125 4.226 4.350 0.001 0.000 0.193 82 E C 2.191 178.747 176.600 -0.074 0.000 0.988 82 E CA 1.426 57.766 56.400 -0.100 0.000 0.828 82 E CB -0.180 29.462 29.700 -0.097 0.000 0.763 82 E HN 0.804 nan 8.360 nan 0.000 0.478 83 S N 0.501 116.142 115.700 -0.097 0.000 2.515 83 S HA -0.021 4.449 4.470 0.001 0.000 0.231 83 S C 1.847 176.433 174.600 -0.023 0.000 0.987 83 S CA 0.474 58.635 58.200 -0.065 0.000 0.936 83 S CB -0.161 62.986 63.200 -0.088 0.000 0.766 83 S HN 0.162 nan 8.310 nan 0.000 0.528 84 L N 0.403 121.623 121.223 -0.005 0.000 2.513 84 L HA 0.385 4.725 4.340 0.001 0.000 0.222 84 L C 1.804 178.758 176.870 0.139 0.000 1.096 84 L CA 0.434 55.328 54.840 0.090 0.000 0.857 84 L CB -0.261 41.864 42.059 0.110 0.000 1.026 84 L HN 0.558 nan 8.230 nan 0.000 0.469 85 G N -0.732 108.098 108.800 0.050 0.000 2.148 85 G HA2 -0.211 3.750 3.960 0.001 0.000 0.203 85 G HA3 -0.211 3.750 3.960 0.001 0.000 0.203 85 G C 0.183 175.068 174.900 -0.025 0.000 0.993 85 G CA -0.260 44.836 45.100 -0.007 0.000 0.661 85 G HN 0.241 nan 8.290 nan 0.000 0.518 86 C N 0.452 119.775 119.300 0.038 0.000 2.604 86 C HA 0.595 5.055 4.460 0.001 0.000 0.396 86 C C 0.995 175.988 174.990 0.005 0.000 1.282 86 C CA -0.169 58.877 59.018 0.046 0.000 2.292 86 C CB 1.102 28.882 27.740 0.067 0.000 2.633 86 C HN 0.612 nan 8.230 nan 0.000 0.620 87 K N 1.281 121.692 120.400 0.020 0.000 2.211 87 K HA 0.491 4.811 4.320 0.001 0.000 0.275 87 K C -1.147 175.480 176.600 0.044 0.000 1.024 87 K CA -0.277 56.021 56.287 0.019 0.000 0.887 87 K CB 0.633 33.145 32.500 0.020 0.000 1.084 87 K HN 0.527 nan 8.250 nan 0.000 0.463 88 V N 5.905 125.837 119.914 0.029 0.000 2.334 88 V HA 0.194 4.314 4.120 0.001 0.000 0.267 88 V C -0.134 176.015 176.094 0.091 0.000 1.040 88 V CA -0.589 61.747 62.300 0.061 0.000 0.866 88 V CB 0.621 32.457 31.823 0.023 0.000 1.019 88 V HN 0.734 nan 8.190 nan 0.000 0.468 89 K N 3.783 124.276 120.400 0.155 0.000 2.172 89 K HA 0.678 4.998 4.320 0.001 0.000 0.276 89 K C -0.799 175.949 176.600 0.246 0.000 1.013 89 K CA -0.497 55.888 56.287 0.164 0.000 0.913 89 K CB 2.051 34.635 32.500 0.141 0.000 1.055 89 K HN 0.500 nan 8.250 nan 0.000 0.461 90 V N 1.359 121.378 119.914 0.175 0.000 2.628 90 V HA 0.254 4.374 4.120 0.001 0.000 0.306 90 V C -0.349 175.861 176.094 0.193 0.000 1.045 90 V CA -1.113 61.306 62.300 0.199 0.000 0.905 90 V CB 1.701 33.582 31.823 0.096 0.000 0.997 90 V HN 0.860 nan 8.190 nan 0.000 0.436 91 D N 2.308 122.857 120.400 0.249 0.000 2.494 91 D HA 0.393 5.033 4.640 0.001 0.000 0.259 91 D C 0.759 177.171 176.300 0.188 0.000 1.109 91 D CA -0.908 53.223 54.000 0.219 0.000 1.040 91 D CB 0.910 41.884 40.800 0.290 0.000 1.175 91 D HN 0.194 nan 8.370 nan 0.000 0.584 92 K N -0.373 120.133 120.400 0.176 0.000 2.160 92 K HA -0.110 4.210 4.320 0.001 0.000 0.206 92 K C 1.375 178.126 176.600 0.252 0.000 1.047 92 K CA 0.858 57.270 56.287 0.208 0.000 0.930 92 K CB -0.364 32.235 32.500 0.165 0.000 0.720 92 K HN 0.391 nan 8.250 nan 0.000 0.450 93 I N -0.183 120.493 120.570 0.177 0.000 3.883 93 I HA 0.101 4.272 4.170 0.001 0.000 0.326 93 I C 0.779 176.896 176.117 -0.000 0.000 1.283 93 I CA 0.484 61.861 61.300 0.128 0.000 1.161 93 I CB 0.029 38.117 38.000 0.147 0.000 1.012 93 I HN 0.418 nan 8.210 nan 0.000 0.421 94 G N 0.633 109.484 108.800 0.085 0.000 2.144 94 G HA2 -0.249 3.711 3.960 0.001 0.000 0.218 94 G HA3 -0.249 3.711 3.960 0.001 0.000 0.218 94 G C 0.168 175.178 174.900 0.183 0.000 0.988 94 G CA -0.075 45.069 45.100 0.074 0.000 0.659 94 G HN 0.360 nan 8.290 nan 0.000 0.522 95 N N 0.383 119.212 118.700 0.215 0.000 2.492 95 N HA 0.526 5.267 4.740 0.001 0.000 0.260 95 N C 0.485 176.000 175.510 0.008 0.000 1.215 95 N CA 0.591 53.679 53.050 0.064 0.000 0.923 95 N CB 0.490 39.043 38.487 0.110 0.000 1.092 95 N HN 0.407 nan 8.380 nan 0.000 0.448 96 M N 1.746 121.178 119.600 -0.280 0.000 2.393 96 M HA 0.429 4.909 4.480 0.001 0.000 0.316 96 M C -1.206 174.831 176.300 -0.437 0.000 1.087 96 M CA -0.561 54.683 55.300 -0.093 0.000 0.937 96 M CB 1.390 34.062 32.600 0.121 0.000 1.668 96 M HN 0.256 nan 8.290 nan 0.000 0.438 97 F N 1.714 121.685 119.950 0.034 0.000 2.500 97 F HA 0.597 5.124 4.527 0.001 0.000 0.349 97 F C 0.155 175.997 175.800 0.069 0.000 1.127 97 F CA -1.095 56.917 58.000 0.021 0.000 0.998 97 F CB 1.175 40.167 39.000 -0.012 0.000 1.237 97 F HN 0.587 nan 8.300 nan 0.000 0.439 98 A N 3.219 126.164 122.820 0.208 0.000 2.347 98 A HA 0.643 4.963 4.320 0.001 0.000 0.287 98 A C -0.511 177.178 177.584 0.173 0.000 1.199 98 A CA -0.438 51.670 52.037 0.119 0.000 0.851 98 A CB 0.098 19.079 19.000 -0.032 0.000 1.118 98 A HN 0.516 nan 8.150 nan 0.000 0.525 99 V N 4.092 124.106 119.914 0.166 0.000 2.347 99 V HA 0.181 4.301 4.120 0.001 0.000 0.280 99 V C -0.641 175.570 176.094 0.196 0.000 1.021 99 V CA -0.412 62.002 62.300 0.190 0.000 0.847 99 V CB 0.649 32.559 31.823 0.144 0.000 0.990 99 V HN 0.771 nan 8.190 nan 0.000 0.444 100 Y N 8.129 128.501 120.300 0.119 0.000 2.327 100 Y HA 0.485 5.035 4.550 0.001 0.000 0.336 100 Y C -2.234 173.724 175.900 0.096 0.000 1.035 100 Y CA -2.600 55.569 58.100 0.115 0.000 1.165 100 Y CB 1.823 40.393 38.460 0.183 0.000 1.181 100 Y HN 0.481 nan 8.280 nan 0.000 0.494 101 P HA 0.175 nan 4.420 nan 0.000 0.276 101 P C -0.093 177.115 177.300 -0.153 0.000 1.253 101 P CA 0.128 63.106 63.100 -0.203 0.000 0.766 101 P CB 0.883 32.428 31.700 -0.258 0.000 0.845 102 G N 2.642 111.415 108.800 -0.046 0.000 2.532 102 G HA2 0.163 4.124 3.960 0.001 0.000 0.291 102 G HA3 0.163 4.124 3.960 0.001 0.000 0.291 102 G C 0.659 175.469 174.900 -0.150 0.000 1.349 102 G CA -0.576 44.483 45.100 -0.068 0.000 1.038 102 G HN 0.277 nan 8.290 nan 0.000 0.518 103 K N -0.463 119.807 120.400 -0.217 0.000 2.155 103 K HA -0.001 4.320 4.320 0.001 0.000 0.203 103 K C 0.682 177.124 176.600 -0.264 0.000 1.052 103 K CA 0.849 56.993 56.287 -0.239 0.000 0.948 103 K CB 0.096 32.438 32.500 -0.263 0.000 0.728 103 K HN 0.312 nan 8.250 nan 0.000 0.448 104 N N -0.143 118.326 118.700 -0.386 0.000 2.365 104 N HA 0.070 4.811 4.740 0.001 0.000 0.257 104 N C 0.524 175.928 175.510 -0.176 0.000 1.287 104 N CA 0.491 53.324 53.050 -0.362 0.000 0.882 104 N CB 1.563 39.678 38.487 -0.618 0.000 1.250 104 N HN 0.230 nan 8.380 nan 0.000 0.507 105 G N 1.782 110.529 108.800 -0.088 0.000 2.672 105 G HA2 -0.358 3.602 3.960 0.001 0.000 0.332 105 G HA3 -0.358 3.602 3.960 0.001 0.000 0.332 105 G C 0.550 175.541 174.900 0.152 0.000 1.213 105 G CA 0.815 45.930 45.100 0.024 0.000 0.980 105 G HN 0.825 nan 8.290 nan 0.000 0.548 106 G N -0.584 108.314 108.800 0.164 0.000 2.801 106 G HA2 0.134 4.094 3.960 0.001 0.000 0.244 106 G HA3 0.134 4.094 3.960 0.001 0.000 0.244 106 G C 0.150 175.158 174.900 0.179 0.000 1.385 106 G CA 1.351 46.578 45.100 0.212 0.000 0.894 106 G HN 2.019 nan 8.290 nan 0.000 0.562 107 K N 0.777 121.272 120.400 0.159 0.000 2.270 107 K HA 0.533 4.854 4.320 0.001 0.000 0.276 107 K C -2.260 174.457 176.600 0.195 0.000 1.023 107 K CA -1.208 55.173 56.287 0.156 0.000 0.955 107 K CB 1.517 34.103 32.500 0.144 0.000 0.975 107 K HN 0.445 nan 8.250 nan 0.000 0.471 108 P HA 0.016 nan 4.420 nan 0.000 0.274 108 P C -0.699 176.774 177.300 0.287 0.000 1.231 108 P CA -0.327 62.923 63.100 0.250 0.000 0.790 108 P CB 0.677 32.521 31.700 0.241 0.000 0.951 109 T N 1.448 116.201 114.554 0.332 0.000 2.779 109 T HA 0.435 4.785 4.350 0.001 0.000 0.296 109 T C 0.362 175.266 174.700 0.339 0.000 0.938 109 T CA 0.025 62.355 62.100 0.383 0.000 1.119 109 T CB 0.214 69.368 68.868 0.477 0.000 0.891 109 T HN 0.481 nan 8.240 nan 0.000 0.526 110 A N 3.097 126.111 122.820 0.324 0.000 2.324 110 A HA 0.748 5.069 4.320 0.001 0.000 0.330 110 A C 0.275 178.027 177.584 0.280 0.000 1.165 110 A CA -0.698 51.531 52.037 0.320 0.000 0.813 110 A CB 1.303 20.527 19.000 0.373 0.000 1.197 110 A HN 0.693 nan 8.150 nan 0.000 0.484 111 T N 0.526 115.209 114.554 0.215 0.000 2.886 111 T HA 0.724 5.074 4.350 0.001 0.000 0.292 111 T C -0.243 174.534 174.700 0.129 0.000 1.012 111 T CA 0.262 62.424 62.100 0.104 0.000 0.982 111 T CB 1.187 70.113 68.868 0.096 0.000 1.018 111 T HN 1.788 nan 8.240 nan 0.000 0.451 112 G N 1.757 110.649 108.800 0.152 0.000 2.632 112 G HA2 0.639 4.600 3.960 0.001 0.000 0.292 112 G HA3 0.639 4.600 3.960 0.001 0.000 0.292 112 G C -1.216 173.920 174.900 0.393 0.000 1.465 112 G CA -0.265 45.002 45.100 0.278 0.000 0.824 112 G HN 0.881 nan 8.290 nan 0.000 0.509 113 S N -1.690 114.194 115.700 0.306 0.000 3.127 113 S HA 0.670 5.141 4.470 0.001 0.000 0.314 113 S C -1.500 173.297 174.600 0.328 0.000 1.238 113 S CA -0.405 58.020 58.200 0.375 0.000 1.074 113 S CB 0.515 63.816 63.200 0.168 0.000 1.417 113 S HN 1.256 nan 8.310 nan 0.000 0.597 114 H N -0.259 118.925 119.070 0.190 0.000 2.679 114 H HA 0.729 5.285 4.556 0.001 0.000 0.367 114 H C 0.052 175.385 175.328 0.008 0.000 1.162 114 H CA -0.931 55.180 56.048 0.106 0.000 1.181 114 H CB 0.785 30.630 29.762 0.137 0.000 1.693 114 H HN 0.348 nan 8.280 nan 0.000 0.538 115 L N 0.270 121.511 121.223 0.030 0.000 2.638 115 L HA 0.093 4.433 4.340 0.001 0.000 0.232 115 L C 0.118 177.003 176.870 0.024 0.000 1.099 115 L CA -0.085 54.724 54.840 -0.052 0.000 0.883 115 L CB 0.127 42.107 42.059 -0.132 0.000 1.136 115 L HN 0.785 nan 8.230 nan 0.000 0.492 116 D N 0.386 120.848 120.400 0.103 0.000 2.313 116 D HA 0.195 4.835 4.640 0.001 0.000 0.247 116 D C 0.102 176.480 176.300 0.130 0.000 1.094 116 D CA -0.017 54.027 54.000 0.074 0.000 0.925 116 D CB 1.747 42.553 40.800 0.009 0.000 1.188 116 D HN -0.055 nan 8.370 nan 0.000 0.430 117 T N -2.049 112.535 114.554 0.050 0.000 2.807 117 T HA 0.305 4.655 4.350 0.001 0.000 0.277 117 T C 0.263 174.931 174.700 -0.054 0.000 1.006 117 T CA -0.951 61.166 62.100 0.028 0.000 1.006 117 T CB 1.720 70.605 68.868 0.029 0.000 1.274 117 T HN 0.342 nan 8.240 nan 0.000 0.569 118 Q N 0.363 120.091 119.800 -0.120 0.000 2.396 118 Q HA 0.259 4.599 4.340 0.001 0.000 0.221 118 Q C -1.682 174.271 176.000 -0.079 0.000 1.025 118 Q CA -1.901 53.807 55.803 -0.159 0.000 0.946 118 Q CB 0.580 29.150 28.738 -0.279 0.000 1.224 118 Q HN 0.440 nan 8.270 nan 0.000 0.539 119 P HA -0.115 nan 4.420 nan 0.000 0.216 119 P C -0.541 176.751 177.300 -0.012 0.000 1.150 119 P CA 1.464 64.543 63.100 -0.036 0.000 0.837 119 P CB 0.358 32.030 31.700 -0.046 0.000 0.786 120 E N -0.505 119.645 120.200 -0.083 0.000 2.331 120 E HA 0.592 4.943 4.350 0.001 0.000 0.243 120 E C -0.807 175.672 176.600 -0.202 0.000 0.925 120 E CA -0.511 55.764 56.400 -0.209 0.000 0.760 120 E CB 1.739 31.174 29.700 -0.443 0.000 1.254 120 E HN -0.013 nan 8.360 nan 0.000 0.419 121 A N 1.884 124.711 122.820 0.010 0.000 2.530 121 A HA 0.892 5.212 4.320 0.001 0.000 0.288 121 A C -0.042 177.631 177.584 0.148 0.000 1.172 121 A CA -0.487 51.579 52.037 0.048 0.000 0.733 121 A CB 1.584 20.591 19.000 0.012 0.000 1.320 121 A HN 0.482 nan 8.150 nan 0.000 0.419 122 G N -0.892 107.971 108.800 0.106 0.000 2.511 122 G HA2 0.483 4.443 3.960 0.001 0.000 0.316 122 G HA3 0.483 4.443 3.960 0.001 0.000 0.316 122 G C 0.158 175.010 174.900 -0.080 0.000 1.210 122 G CA -0.458 44.684 45.100 0.070 0.000 0.969 122 G HN 0.704 nan 8.290 nan 0.000 0.492 123 K N -1.053 119.146 120.400 -0.335 0.000 2.296 123 K HA 0.047 4.367 4.320 0.001 0.000 0.200 123 K C 1.187 177.459 176.600 -0.546 0.000 1.048 123 K CA 1.142 57.076 56.287 -0.588 0.000 0.966 123 K CB 0.019 31.885 32.500 -1.056 0.000 0.754 123 K HN 0.622 nan 8.250 nan 0.000 0.466 124 Y N -0.401 119.867 120.300 -0.053 0.000 2.498 124 Y HA 0.108 4.658 4.550 0.001 0.000 0.259 124 Y C 0.393 176.196 175.900 -0.161 0.000 1.086 124 Y CA -0.976 57.062 58.100 -0.104 0.000 1.287 124 Y CB 0.290 38.684 38.460 -0.111 0.000 1.146 124 Y HN -0.058 nan 8.280 nan 0.000 0.523 125 D N 0.417 120.824 120.400 0.012 0.000 2.348 125 D HA 0.339 4.979 4.640 0.001 0.000 0.253 125 D C 1.288 177.451 176.300 -0.227 0.000 1.161 125 D CA 1.449 55.407 54.000 -0.069 0.000 0.876 125 D CB 0.979 41.911 40.800 0.220 0.000 1.160 125 D HN 0.434 nan 8.370 nan 0.000 0.459 126 G N 3.724 112.188 108.800 -0.561 0.000 3.548 126 G HA2 -0.419 3.541 3.960 0.001 0.000 0.224 126 G HA3 -0.419 3.541 3.960 0.001 0.000 0.224 126 G C 1.383 176.011 174.900 -0.455 0.000 1.351 126 G CA 0.409 44.922 45.100 -0.978 0.000 0.905 126 G HN 0.573 nan 8.290 nan 0.000 0.561 127 I N 1.262 121.651 120.570 -0.301 0.000 2.194 127 I HA -0.162 4.009 4.170 0.001 0.000 0.246 127 I C 2.677 178.729 176.117 -0.108 0.000 1.093 127 I CA 1.899 63.099 61.300 -0.168 0.000 1.355 127 I CB -0.359 37.567 38.000 -0.124 0.000 1.046 127 I HN 0.426 nan 8.210 nan 0.000 0.413 128 L N 0.831 121.995 121.223 -0.097 0.000 2.013 128 L HA -0.149 4.191 4.340 0.001 0.000 0.212 128 L C 2.375 179.222 176.870 -0.039 0.000 1.073 128 L CA 2.364 57.177 54.840 -0.045 0.000 0.753 128 L CB -1.244 40.786 42.059 -0.048 0.000 0.890 128 L HN 0.239 nan 8.230 nan 0.000 0.432 129 G N -0.870 107.891 108.800 -0.065 0.000 2.480 129 G HA2 -0.290 3.670 3.960 0.001 0.000 0.216 129 G HA3 -0.290 3.670 3.960 0.001 0.000 0.216 129 G C 1.670 176.579 174.900 0.016 0.000 1.200 129 G CA 1.486 46.587 45.100 0.001 0.000 0.782 129 G HN 0.463 nan 8.290 nan 0.000 0.554 130 V N 0.556 120.454 119.914 -0.028 0.000 2.307 130 V HA -0.009 4.111 4.120 0.001 0.000 0.245 130 V C 2.716 178.842 176.094 0.052 0.000 1.045 130 V CA 1.875 64.155 62.300 -0.033 0.000 1.024 130 V CB -0.398 31.301 31.823 -0.207 0.000 0.651 130 V HN 0.350 nan 8.190 nan 0.000 0.449 131 L N 0.404 121.650 121.223 0.038 0.000 2.201 131 L HA -0.019 4.321 4.340 0.001 0.000 0.212 131 L C 2.874 179.762 176.870 0.031 0.000 1.105 131 L CA 1.351 56.246 54.840 0.091 0.000 0.775 131 L CB -0.800 41.298 42.059 0.066 0.000 0.913 131 L HN 0.501 nan 8.230 nan 0.000 0.440 132 A N 0.171 123.003 122.820 0.020 0.000 1.929 132 A HA -0.046 4.274 4.320 0.001 0.000 0.216 132 A C 2.399 180.046 177.584 0.104 0.000 1.176 132 A CA 1.383 53.441 52.037 0.034 0.000 0.628 132 A CB -0.964 18.113 19.000 0.128 0.000 0.816 132 A HN 0.410 nan 8.150 nan 0.000 0.444 133 G N -0.214 108.643 108.800 0.096 0.000 2.422 133 G HA2 -0.187 3.774 3.960 0.001 0.000 0.218 133 G HA3 -0.187 3.774 3.960 0.001 0.000 0.218 133 G C 1.563 176.501 174.900 0.063 0.000 1.146 133 G CA 0.917 46.071 45.100 0.090 0.000 0.769 133 G HN 0.411 nan 8.290 nan 0.000 0.547 134 L N 0.172 121.457 121.223 0.104 0.000 1.970 134 L HA -0.096 4.245 4.340 0.001 0.000 0.212 134 L C 2.916 179.759 176.870 -0.045 0.000 1.071 134 L CA 1.670 56.547 54.840 0.062 0.000 0.751 134 L CB -0.283 41.874 42.059 0.163 0.000 0.889 134 L HN 0.207 nan 8.230 nan 0.000 0.432 135 E N -0.488 119.653 120.200 -0.098 0.000 2.209 135 E HA -0.196 4.155 4.350 0.001 0.000 0.196 135 E C 2.176 178.756 176.600 -0.033 0.000 0.993 135 E CA 1.115 57.383 56.400 -0.220 0.000 0.819 135 E CB -0.289 28.952 29.700 -0.765 0.000 0.745 135 E HN 0.410 nan 8.360 nan 0.000 0.477 136 V N 1.566 121.509 119.914 0.049 0.000 2.261 136 V HA -0.267 3.854 4.120 0.001 0.000 0.246 136 V C 2.505 178.223 176.094 -0.626 0.000 1.047 136 V CA 1.566 63.726 62.300 -0.235 0.000 1.015 136 V CB -0.539 31.130 31.823 -0.257 0.000 0.642 136 V HN 0.232 nan 8.190 nan 0.000 0.446 137 L N -0.711 120.269 121.223 -0.405 0.000 2.083 137 L HA -0.180 4.160 4.340 0.001 0.000 0.209 137 L C 2.736 179.426 176.870 -0.300 0.000 1.083 137 L CA 1.628 56.209 54.840 -0.432 0.000 0.752 137 L CB -0.757 41.137 42.059 -0.276 0.000 0.899 137 L HN 0.243 nan 8.230 nan 0.000 0.433 138 R N -0.327 120.066 120.500 -0.178 0.000 2.091 138 R HA -0.128 4.212 4.340 0.001 0.000 0.238 138 R C 2.327 178.601 176.300 -0.044 0.000 1.136 138 R CA 1.926 57.974 56.100 -0.087 0.000 0.959 138 R CB -0.643 29.613 30.300 -0.073 0.000 0.856 138 R HN 0.365 nan 8.270 nan 0.000 0.437 139 T N 0.685 115.197 114.554 -0.070 0.000 2.777 139 T HA -0.074 4.276 4.350 0.001 0.000 0.266 139 T C 1.593 176.357 174.700 0.106 0.000 1.040 139 T CA 1.124 63.226 62.100 0.002 0.000 1.141 139 T CB -0.288 68.580 68.868 -0.001 0.000 0.868 139 T HN 0.193 nan 8.240 nan 0.000 0.444 140 F N 1.322 121.249 119.950 -0.038 0.000 2.095 140 F HA -0.153 4.375 4.527 0.001 0.000 0.298 140 F C 2.648 178.490 175.800 0.071 0.000 1.104 140 F CA 0.978 58.981 58.000 0.005 0.000 1.232 140 F CB -0.129 38.768 39.000 -0.171 0.000 0.987 140 F HN 0.095 nan 8.300 nan 0.000 0.475 141 K N 0.736 121.267 120.400 0.218 0.000 2.002 141 K HA -0.193 4.127 4.320 0.001 0.000 0.209 141 K C 1.479 178.172 176.600 0.156 0.000 1.048 141 K CA 1.945 58.359 56.287 0.211 0.000 0.930 141 K CB -0.226 32.370 32.500 0.160 0.000 0.714 141 K HN -0.030 nan 8.250 nan 0.000 0.438 142 D N 0.294 120.763 120.400 0.115 0.000 2.271 142 D HA -0.139 4.501 4.640 0.001 0.000 0.207 142 D C 0.983 177.345 176.300 0.105 0.000 0.983 142 D CA 0.947 55.002 54.000 0.091 0.000 0.878 142 D CB -0.053 40.788 40.800 0.068 0.000 0.920 142 D HN 0.327 nan 8.370 nan 0.000 0.479 143 N N -0.107 118.681 118.700 0.148 0.000 2.184 143 N HA -0.015 4.725 4.740 0.001 0.000 0.206 143 N C -0.226 175.384 175.510 0.167 0.000 1.151 143 N CA -0.061 53.081 53.050 0.153 0.000 0.878 143 N CB 0.605 39.196 38.487 0.173 0.000 1.014 143 N HN -0.066 nan 8.380 nan 0.000 0.512 144 N N 0.688 119.491 118.700 0.172 0.000 2.714 144 N HA -0.254 4.487 4.740 0.001 0.000 0.250 144 N C -0.715 174.881 175.510 0.143 0.000 1.117 144 N CA 0.608 53.743 53.050 0.142 0.000 0.719 144 N CB -2.046 36.491 38.487 0.084 0.000 1.081 144 N HN 0.471 nan 8.380 nan 0.000 0.557 145 Y N 0.340 120.682 120.300 0.069 0.000 2.480 145 Y HA 0.346 4.897 4.550 0.001 0.000 0.341 145 Y C 0.130 175.975 175.900 -0.093 0.000 1.031 145 Y CA -0.293 57.795 58.100 -0.021 0.000 1.295 145 Y CB 0.704 39.155 38.460 -0.015 0.000 1.162 145 Y HN -0.068 nan 8.280 nan 0.000 0.523 146 V N 9.857 129.515 119.914 -0.426 0.000 2.347 146 V HA 0.317 4.437 4.120 0.001 0.000 0.280 146 V C -1.950 173.803 176.094 -0.568 0.000 1.021 146 V CA -1.905 60.196 62.300 -0.332 0.000 0.847 146 V CB 1.110 32.810 31.823 -0.206 0.000 0.990 146 V HN 0.719 nan 8.190 nan 0.000 0.444 147 P HA 0.198 nan 4.420 nan 0.000 0.274 147 P C 0.386 177.577 177.300 -0.182 0.000 1.237 147 P CA -0.326 62.613 63.100 -0.270 0.000 0.793 147 P CB 0.935 32.580 31.700 -0.092 0.000 0.977 148 N N -0.031 118.613 118.700 -0.094 0.000 2.223 148 N HA -0.120 4.620 4.740 0.001 0.000 0.185 148 N C 0.195 175.512 175.510 -0.321 0.000 1.016 148 N CA 1.553 54.514 53.050 -0.148 0.000 0.863 148 N CB -0.320 38.187 38.487 0.033 0.000 0.983 148 N HN 0.523 nan 8.380 nan 0.000 0.429 149 Y N 0.138 120.439 120.300 0.003 0.000 2.605 149 Y HA 0.259 4.810 4.550 0.001 0.000 0.343 149 Y C -0.129 175.822 175.900 0.086 0.000 1.036 149 Y CA -1.382 56.742 58.100 0.041 0.000 1.065 149 Y CB 0.855 39.353 38.460 0.063 0.000 1.288 149 Y HN -0.219 nan 8.280 nan 0.000 0.481 150 D N 0.911 121.466 120.400 0.258 0.000 2.449 150 D HA 0.285 4.925 4.640 0.001 0.000 0.236 150 D C -0.687 175.792 176.300 0.297 0.000 1.149 150 D CA 0.576 54.714 54.000 0.230 0.000 0.878 150 D CB 0.778 41.691 40.800 0.188 0.000 1.198 150 D HN 0.156 nan 8.370 nan 0.000 0.446 151 V N 0.898 121.016 119.914 0.339 0.000 2.823 151 V HA 0.545 4.665 4.120 0.001 0.000 0.312 151 V C 0.055 176.350 176.094 0.334 0.000 1.072 151 V CA -0.889 61.627 62.300 0.360 0.000 0.937 151 V CB 1.930 34.018 31.823 0.441 0.000 1.013 151 V HN 0.923 nan 8.190 nan 0.000 0.430 152 C N 2.426 121.902 119.300 0.294 0.000 2.783 152 C HA 0.895 5.356 4.460 0.001 0.000 0.312 152 C C -0.640 174.483 174.990 0.222 0.000 1.182 152 C CA -0.611 58.566 59.018 0.265 0.000 1.432 152 C CB 0.871 28.784 27.740 0.288 0.000 1.933 152 C HN 0.659 nan 8.230 nan 0.000 0.473 153 V N 3.391 123.419 119.914 0.190 0.000 2.481 153 V HA 0.627 4.747 4.120 0.001 0.000 0.286 153 V C 0.032 176.156 176.094 0.050 0.000 1.042 153 V CA -0.223 62.173 62.300 0.160 0.000 0.928 153 V CB 1.483 33.461 31.823 0.259 0.000 0.986 153 V HN 0.846 nan 8.190 nan 0.000 0.462 154 V N 5.007 124.840 119.914 -0.136 0.000 2.487 154 V HA 0.434 4.554 4.120 0.001 0.000 0.298 154 V C -0.249 175.457 176.094 -0.647 0.000 1.028 154 V CA -0.680 61.241 62.300 -0.632 0.000 0.860 154 V CB 1.894 33.153 31.823 -0.941 0.000 0.991 154 V HN 0.568 nan 8.190 nan 0.000 0.427 155 V N 4.179 123.676 119.914 -0.695 0.000 2.333 155 V HA 0.361 4.481 4.120 0.001 0.000 0.274 155 V C -0.717 175.096 176.094 -0.467 0.000 1.028 155 V CA -0.529 61.481 62.300 -0.483 0.000 0.851 155 V CB 0.982 32.575 31.823 -0.383 0.000 1.000 155 V HN 0.895 nan 8.190 nan 0.000 0.456 156 W N 4.548 125.801 121.300 -0.077 0.000 2.322 156 W HA 0.469 5.129 4.660 0.001 0.000 0.307 156 W C 0.123 176.696 176.519 0.091 0.000 1.220 156 W CA -0.720 56.620 57.345 -0.008 0.000 1.210 156 W CB 0.610 30.072 29.460 0.003 0.000 1.223 156 W HN 0.523 nan 8.180 nan 0.000 0.511 157 F N 4.392 124.478 119.950 0.226 0.000 2.518 157 F HA 0.044 4.571 4.527 0.001 0.000 0.359 157 F C 1.087 176.984 175.800 0.162 0.000 1.118 157 F CA -0.452 57.641 58.000 0.155 0.000 1.287 157 F CB 0.324 39.409 39.000 0.142 0.000 1.132 157 F HN 0.531 nan 8.300 nan 0.000 0.587 158 N N 3.417 121.558 118.700 -0.933 0.000 2.684 158 N HA -0.261 4.479 4.740 0.001 0.000 0.284 158 N C 0.971 176.301 175.510 -0.299 0.000 1.067 158 N CA 1.079 53.657 53.050 -0.786 0.000 0.791 158 N CB -0.430 37.337 38.487 -1.199 0.000 0.934 158 N HN 0.819 nan 8.380 nan 0.000 0.566 159 E N 0.822 120.908 120.200 -0.190 0.000 2.072 159 E HA -0.147 4.203 4.350 0.001 0.000 0.190 159 E C 0.723 177.192 176.600 -0.218 0.000 0.982 159 E CA 0.929 57.213 56.400 -0.193 0.000 0.803 159 E CB 0.165 29.648 29.700 -0.361 0.000 0.755 159 E HN 0.614 nan 8.360 nan 0.000 0.453 160 E N -0.320 119.740 120.200 -0.233 0.000 2.208 160 E HA -0.055 4.296 4.350 0.001 0.000 0.193 160 E C 1.168 177.713 176.600 -0.092 0.000 0.988 160 E CA 0.900 57.193 56.400 -0.178 0.000 0.828 160 E CB -0.175 29.413 29.700 -0.185 0.000 0.763 160 E HN 0.448 nan 8.360 nan 0.000 0.478 161 G N 0.737 109.494 108.800 -0.072 0.000 2.221 161 G HA2 -0.317 3.644 3.960 0.001 0.000 0.265 161 G HA3 -0.317 3.644 3.960 0.001 0.000 0.265 161 G C 0.949 175.845 174.900 -0.006 0.000 1.041 161 G CA 0.846 45.941 45.100 -0.008 0.000 0.807 161 G HN 0.478 nan 8.290 nan 0.000 0.502 162 A N -0.265 122.529 122.820 -0.043 0.000 1.862 162 A HA 0.365 4.686 4.320 0.001 0.000 0.211 162 A C 2.148 179.682 177.584 -0.083 0.000 1.220 162 A CA 1.864 53.867 52.037 -0.057 0.000 0.616 162 A CB -0.244 18.708 19.000 -0.080 0.000 0.878 162 A HN 0.502 nan 8.150 nan 0.000 0.453 163 R N -1.902 118.517 120.500 -0.135 0.000 2.090 163 R HA 0.059 4.399 4.340 0.001 0.000 0.228 163 R C -0.746 175.252 176.300 -0.504 0.000 1.110 163 R CA 0.677 56.584 56.100 -0.321 0.000 0.973 163 R CB -0.075 29.992 30.300 -0.389 0.000 0.869 163 R HN 0.400 nan 8.270 nan 0.000 0.440 164 F N -0.417 119.539 119.950 0.010 0.000 2.467 164 F HA 0.432 4.960 4.527 0.001 0.000 0.336 164 F C 0.267 176.082 175.800 0.025 0.000 1.123 164 F CA -1.131 56.894 58.000 0.041 0.000 0.964 164 F CB 1.946 40.995 39.000 0.082 0.000 1.136 164 F HN -0.066 nan 8.300 nan 0.000 0.447 165 A N 3.781 126.719 122.820 0.197 0.000 3.029 165 A HA 0.421 4.742 4.320 0.001 0.000 0.251 165 A C 0.171 177.825 177.584 0.116 0.000 1.749 165 A CA 0.057 52.166 52.037 0.119 0.000 1.386 165 A CB -0.819 18.237 19.000 0.093 0.000 1.043 165 A HN 0.639 nan 8.150 nan 0.000 0.638 166 R N 0.056 120.626 120.500 0.117 0.000 2.523 166 R HA 0.362 4.702 4.340 0.001 0.000 0.278 166 R C -0.545 175.789 176.300 0.056 0.000 1.150 166 R CA 0.360 56.511 56.100 0.085 0.000 0.987 166 R CB 0.460 30.814 30.300 0.090 0.000 1.232 166 R HN 0.335 nan 8.270 nan 0.000 0.424 167 S N 2.237 117.957 115.700 0.033 0.000 2.601 167 S HA 0.338 4.808 4.470 0.001 0.000 0.271 167 S C 0.307 174.903 174.600 -0.006 0.000 1.305 167 S CA 0.294 58.492 58.200 -0.002 0.000 1.022 167 S CB 0.975 64.170 63.200 -0.008 0.000 0.940 167 S HN 1.069 nan 8.310 nan 0.000 0.525 168 C N 1.913 121.192 119.300 -0.035 0.000 4.365 168 C HA -0.147 4.314 4.460 0.001 0.000 0.299 168 C C 1.825 176.839 174.990 0.040 0.000 1.409 168 C CA 0.717 59.721 59.018 -0.023 0.000 2.007 168 C CB -3.375 24.339 27.740 -0.044 0.000 1.264 168 C HN 1.067 nan 8.230 nan 0.000 0.777 169 T N 0.507 115.095 114.554 0.056 0.000 2.635 169 T HA -0.133 4.217 4.350 0.001 0.000 0.267 169 T C 2.058 176.907 174.700 0.249 0.000 1.040 169 T CA 2.182 64.368 62.100 0.144 0.000 1.156 169 T CB -0.311 68.653 68.868 0.161 0.000 0.863 169 T HN 0.901 nan 8.240 nan 0.000 0.430 170 G N 1.567 110.567 108.800 0.334 0.000 2.491 170 G HA2 -0.270 3.691 3.960 0.001 0.000 0.218 170 G HA3 -0.270 3.691 3.960 0.001 0.000 0.218 170 G C 1.905 177.077 174.900 0.453 0.000 1.180 170 G CA 1.637 47.021 45.100 0.473 0.000 0.774 170 G HN 0.655 nan 8.290 nan 0.000 0.562 171 S N -0.190 115.657 115.700 0.245 0.000 2.470 171 S HA 0.077 4.547 4.470 0.001 0.000 0.225 171 S C 2.319 176.996 174.600 0.129 0.000 1.006 171 S CA 1.238 59.426 58.200 -0.020 0.000 0.934 171 S CB 0.061 62.753 63.200 -0.846 0.000 0.778 171 S HN 0.215 nan 8.310 nan 0.000 0.517 172 S N 1.510 117.283 115.700 0.121 0.000 2.428 172 S HA 0.047 4.517 4.470 0.001 0.000 0.230 172 S C 1.827 176.537 174.600 0.184 0.000 1.014 172 S CA 0.923 59.201 58.200 0.130 0.000 0.957 172 S CB -0.378 62.873 63.200 0.086 0.000 0.784 172 S HN 0.411 nan 8.310 nan 0.000 0.499 173 V N 0.066 120.116 119.914 0.226 0.000 2.323 173 V HA -0.117 4.004 4.120 0.001 0.000 0.244 173 V C 1.846 178.123 176.094 0.305 0.000 1.041 173 V CA 1.405 63.828 62.300 0.205 0.000 1.025 173 V CB -0.593 31.329 31.823 0.165 0.000 0.656 173 V HN 0.688 nan 8.190 nan 0.000 0.451 174 W N 1.755 123.200 121.300 0.241 0.000 2.338 174 W HA -0.249 4.411 4.660 0.000 0.000 0.304 174 W C 2.526 179.224 176.519 0.299 0.000 1.212 174 W CA 2.012 59.544 57.345 0.313 0.000 1.264 174 W CB -0.173 29.557 29.460 0.451 0.000 1.142 174 W HN 0.343 nan 8.180 nan 0.000 0.512 175 S N -1.490 114.370 115.700 0.266 0.000 2.634 175 S HA 0.059 4.529 4.470 0.001 0.000 0.221 175 S C 0.380 175.044 174.600 0.106 0.000 0.952 175 S CA 0.670 58.818 58.200 -0.086 0.000 0.930 175 S CB -1.139 62.111 63.200 0.085 0.000 0.780 175 S HN 0.597 nan 8.310 nan 0.000 0.498 176 H N -0.816 118.281 119.070 0.045 0.000 3.179 176 H HA -0.173 4.384 4.556 0.001 0.000 0.250 176 H C 0.411 175.779 175.328 0.067 0.000 1.142 176 H CA 0.701 56.785 56.048 0.060 0.000 1.165 176 H CB -1.461 28.369 29.762 0.113 0.000 1.253 176 H HN 0.530 nan 8.280 nan 0.000 0.325 177 D N 0.578 121.086 120.400 0.180 0.000 2.347 177 D HA 0.098 4.738 4.640 0.001 0.000 0.215 177 D C 0.269 176.617 176.300 0.079 0.000 0.976 177 D CA 0.484 54.553 54.000 0.115 0.000 0.884 177 D CB 0.392 41.251 40.800 0.098 0.000 0.915 177 D HN 0.263 nan 8.370 nan 0.000 0.526 178 L N 0.350 121.619 121.223 0.077 0.000 2.543 178 L HA 0.333 4.673 4.340 0.001 0.000 0.265 178 L C -0.807 176.069 176.870 0.009 0.000 0.945 178 L CA -0.600 54.268 54.840 0.046 0.000 0.869 178 L CB 1.734 43.830 42.059 0.062 0.000 1.294 178 L HN -0.105 nan 8.230 nan 0.000 0.405 179 S N 3.640 119.327 115.700 -0.021 0.000 2.549 179 S HA 0.196 4.667 4.470 0.001 0.000 0.283 179 S C 1.096 175.640 174.600 -0.093 0.000 1.320 179 S CA -0.407 57.751 58.200 -0.070 0.000 1.058 179 S CB 0.994 64.158 63.200 -0.060 0.000 0.882 179 S HN 0.784 nan 8.310 nan 0.000 0.498 180 L N 2.148 123.276 121.223 -0.159 0.000 2.042 180 L HA -0.163 4.178 4.340 0.001 0.000 0.210 180 L C 2.581 179.240 176.870 -0.352 0.000 1.076 180 L CA 2.000 56.667 54.840 -0.289 0.000 0.749 180 L CB -0.929 40.911 42.059 -0.364 0.000 0.893 180 L HN 0.881 nan 8.230 nan 0.000 0.432 181 E N -0.211 119.869 120.200 -0.200 0.000 2.110 181 E HA -0.323 4.027 4.350 0.001 0.000 0.193 181 E C 1.941 178.539 176.600 -0.005 0.000 0.988 181 E CA 1.668 58.023 56.400 -0.075 0.000 0.804 181 E CB -0.643 29.031 29.700 -0.043 0.000 0.745 181 E HN 0.809 nan 8.360 nan 0.000 0.458 182 E N 1.414 121.603 120.200 -0.018 0.000 2.028 182 E HA -0.125 4.225 4.350 0.001 0.000 0.191 182 E C 2.172 178.801 176.600 0.049 0.000 0.988 182 E CA 1.347 57.759 56.400 0.020 0.000 0.799 182 E CB -0.173 29.536 29.700 0.015 0.000 0.755 182 E HN 0.264 nan 8.360 nan 0.000 0.447 183 A N 0.348 123.185 122.820 0.028 0.000 1.883 183 A HA -0.204 4.116 4.320 0.001 0.000 0.217 183 A C 2.074 179.748 177.584 0.150 0.000 1.186 183 A CA 1.542 53.622 52.037 0.071 0.000 0.624 183 A CB -1.073 17.960 19.000 0.054 0.000 0.822 183 A HN 0.472 nan 8.150 nan 0.000 0.444 184 Y N 0.072 120.385 120.300 0.022 0.000 2.241 184 Y HA -0.133 4.418 4.550 0.001 0.000 0.286 184 Y C 2.601 178.515 175.900 0.023 0.000 1.166 184 Y CA 0.620 58.735 58.100 0.025 0.000 1.203 184 Y CB -1.131 37.333 38.460 0.007 0.000 0.977 184 Y HN 0.332 nan 8.280 nan 0.000 0.529 185 G N -1.018 107.890 108.800 0.180 0.000 3.042 185 G HA2 0.134 4.094 3.960 0.001 0.000 0.212 185 G HA3 0.134 4.094 3.960 0.001 0.000 0.212 185 G C 0.459 175.432 174.900 0.121 0.000 1.166 185 G CA -0.293 44.878 45.100 0.118 0.000 0.767 185 G HN 0.122 nan 8.290 nan 0.000 0.546 186 L N 1.790 123.088 121.223 0.125 0.000 2.410 186 L HA 0.280 4.621 4.340 0.001 0.000 0.273 186 L C 0.263 177.304 176.870 0.286 0.000 1.152 186 L CA -0.334 54.610 54.840 0.173 0.000 0.855 186 L CB 0.977 43.133 42.059 0.162 0.000 1.129 186 L HN 0.039 nan 8.230 nan 0.000 0.463 187 M N 1.578 121.367 119.600 0.315 0.000 2.367 187 M HA 0.237 4.717 4.480 0.001 0.000 0.339 187 M C 0.240 176.747 176.300 0.345 0.000 1.177 187 M CA -0.472 55.026 55.300 0.330 0.000 1.068 187 M CB 1.345 34.053 32.600 0.180 0.000 1.602 187 M HN 0.421 nan 8.290 nan 0.000 0.457 188 S N 1.212 117.027 115.700 0.192 0.000 2.546 188 S HA 0.160 4.631 4.470 0.001 0.000 0.290 188 S C 0.021 174.556 174.600 -0.109 0.000 1.290 188 S CA -0.459 57.617 58.200 -0.207 0.000 1.069 188 S CB 0.117 63.217 63.200 -0.167 0.000 0.846 188 S HN 0.454 nan 8.310 nan 0.000 0.495 189 V N 4.106 123.919 119.914 -0.168 0.000 2.470 189 V HA 0.366 4.487 4.120 0.001 0.000 0.276 189 V C 1.242 177.293 176.094 -0.071 0.000 1.040 189 V CA 0.715 62.968 62.300 -0.078 0.000 1.008 189 V CB 0.300 32.085 31.823 -0.063 0.000 0.990 189 V HN 1.204 nan 8.190 nan 0.000 0.477 190 G N 4.453 113.232 108.800 -0.034 0.000 2.366 190 G HA2 -0.239 3.721 3.960 0.001 0.000 0.299 190 G HA3 -0.239 3.721 3.960 0.001 0.000 0.299 190 G C -0.044 174.838 174.900 -0.030 0.000 1.020 190 G CA 0.492 45.577 45.100 -0.026 0.000 1.026 190 G HN 0.736 nan 8.290 nan 0.000 0.512 191 E N -1.185 118.997 120.200 -0.030 0.000 2.207 191 E HA 0.344 4.694 4.350 0.001 0.000 0.270 191 E C 0.889 177.486 176.600 -0.006 0.000 0.927 191 E CA -0.723 55.663 56.400 -0.024 0.000 0.799 191 E CB 1.199 30.878 29.700 -0.035 0.000 1.172 191 E HN 0.058 nan 8.360 nan 0.000 0.404 192 D N 1.839 122.237 120.400 -0.002 0.000 2.106 192 D HA -0.191 4.449 4.640 0.001 0.000 0.191 192 D C 0.339 176.647 176.300 0.012 0.000 0.997 192 D CA 1.513 55.516 54.000 0.005 0.000 0.834 192 D CB 0.304 41.108 40.800 0.005 0.000 0.956 192 D HN 0.170 nan 8.370 nan 0.000 0.448 193 K N 0.501 120.909 120.400 0.015 0.000 2.432 193 K HA 0.265 4.585 4.320 0.001 0.000 0.226 193 K C -2.676 173.944 176.600 0.033 0.000 1.057 193 K CA -1.723 54.578 56.287 0.025 0.000 1.034 193 K CB 1.003 33.518 32.500 0.025 0.000 1.561 193 K HN -0.028 nan 8.250 nan 0.000 0.492 194 P HA -0.013 nan 4.420 nan 0.000 0.268 194 P C -0.789 176.565 177.300 0.090 0.000 1.205 194 P CA 0.208 63.340 63.100 0.054 0.000 0.771 194 P CB 0.652 32.386 31.700 0.058 0.000 0.858 195 E N 0.420 120.701 120.200 0.134 0.000 2.339 195 E HA 0.607 4.957 4.350 0.001 0.000 0.262 195 E C -0.986 175.797 176.600 0.304 0.000 0.934 195 E CA -1.060 55.450 56.400 0.183 0.000 0.802 195 E CB 1.305 31.102 29.700 0.162 0.000 1.275 195 E HN 0.325 nan 8.360 nan 0.000 0.427 196 S N 0.131 115.979 115.700 0.248 0.000 2.616 196 S HA 0.182 4.652 4.470 0.001 0.000 0.277 196 S C 1.316 175.996 174.600 0.133 0.000 1.234 196 S CA -0.804 57.535 58.200 0.232 0.000 1.028 196 S CB 1.540 64.838 63.200 0.164 0.000 0.988 196 S HN 0.439 nan 8.310 nan 0.000 0.522 197 V N 1.047 120.860 119.914 -0.169 0.000 2.277 197 V HA -0.293 3.827 4.120 0.001 0.000 0.255 197 V C 1.944 177.957 176.094 -0.134 0.000 1.074 197 V CA 2.641 64.693 62.300 -0.413 0.000 1.058 197 V CB -1.359 30.251 31.823 -0.356 0.000 0.656 197 V HN 0.945 nan 8.190 nan 0.000 0.449 198 Y N 1.325 121.500 120.300 -0.209 0.000 2.070 198 Y HA -0.287 4.263 4.550 0.001 0.000 0.280 198 Y C 2.473 178.249 175.900 -0.207 0.000 1.148 198 Y CA 2.190 60.060 58.100 -0.384 0.000 1.125 198 Y CB -0.655 37.518 38.460 -0.479 0.000 0.975 198 Y HN 0.318 nan 8.280 nan 0.000 0.492 199 D N -0.357 120.010 120.400 -0.055 0.000 2.127 199 D HA -0.225 4.416 4.640 0.001 0.000 0.190 199 D C 2.368 178.611 176.300 -0.095 0.000 1.000 199 D CA 2.104 56.059 54.000 -0.074 0.000 0.839 199 D CB -0.589 40.255 40.800 0.075 0.000 0.955 199 D HN 0.399 nan 8.370 nan 0.000 0.446 200 S N 0.389 116.098 115.700 0.016 0.000 2.353 200 S HA -0.136 4.335 4.470 0.001 0.000 0.222 200 S C 2.297 176.889 174.600 -0.013 0.000 1.035 200 S CA 0.713 58.961 58.200 0.080 0.000 1.025 200 S CB -0.446 62.925 63.200 0.285 0.000 0.902 200 S HN 0.248 nan 8.310 nan 0.000 0.440 201 L N 1.197 122.348 121.223 -0.121 0.000 2.079 201 L HA -0.136 4.205 4.340 0.001 0.000 0.210 201 L C 2.663 179.440 176.870 -0.155 0.000 1.081 201 L CA 1.259 56.004 54.840 -0.158 0.000 0.752 201 L CB -0.430 41.463 42.059 -0.275 0.000 0.896 201 L HN 0.263 nan 8.230 nan 0.000 0.433 202 K N 0.348 120.562 120.400 -0.310 0.000 2.057 202 K HA -0.166 4.154 4.320 0.001 0.000 0.207 202 K C 1.807 178.325 176.600 -0.138 0.000 1.049 202 K CA 1.483 57.587 56.287 -0.306 0.000 0.931 202 K CB -0.112 32.081 32.500 -0.512 0.000 0.714 202 K HN 0.451 nan 8.250 nan 0.000 0.440 203 N N 0.768 119.412 118.700 -0.092 0.000 2.149 203 N HA -0.157 4.584 4.740 0.001 0.000 0.188 203 N C 1.783 177.304 175.510 0.019 0.000 1.019 203 N CA 1.461 54.496 53.050 -0.025 0.000 0.857 203 N CB -0.140 38.347 38.487 0.001 0.000 0.997 203 N HN 0.341 nan 8.380 nan 0.000 0.426 204 I N -3.469 117.136 120.570 0.058 0.000 3.793 204 I HA 0.344 4.514 4.170 0.001 0.000 0.315 204 I C 0.759 177.022 176.117 0.243 0.000 1.275 204 I CA 0.032 61.421 61.300 0.148 0.000 1.214 204 I CB 0.050 38.134 38.000 0.140 0.000 1.018 204 I HN -0.052 nan 8.210 nan 0.000 0.439 205 G N 1.767 110.624 108.800 0.094 0.000 2.225 205 G HA2 -0.310 3.650 3.960 0.001 0.000 0.264 205 G HA3 -0.310 3.650 3.960 0.001 0.000 0.264 205 G C -0.281 174.502 174.900 -0.195 0.000 1.060 205 G CA 0.232 45.307 45.100 -0.042 0.000 0.833 205 G HN 0.599 nan 8.290 nan 0.000 0.498 206 Y N -0.918 119.342 120.300 -0.068 0.000 2.672 206 Y HA 0.484 5.034 4.550 0.001 0.000 0.272 206 Y C 1.093 176.946 175.900 -0.080 0.000 1.055 206 Y CA -0.886 57.181 58.100 -0.055 0.000 1.151 206 Y CB 0.551 38.982 38.460 -0.048 0.000 1.190 206 Y HN 0.303 nan 8.280 nan 0.000 0.574 207 I N 1.233 121.787 120.570 -0.026 0.000 2.282 207 I HA 0.296 4.467 4.170 0.001 0.000 0.290 207 I C 1.092 177.221 176.117 0.019 0.000 1.090 207 I CA -0.155 61.144 61.300 -0.002 0.000 1.231 207 I CB 0.347 38.305 38.000 -0.069 0.000 1.434 207 I HN 0.324 nan 8.210 nan 0.000 0.487 208 G N 3.421 112.260 108.800 0.064 0.000 2.616 208 G HA2 0.098 4.058 3.960 0.001 0.000 0.268 208 G HA3 0.098 4.058 3.960 0.001 0.000 0.268 208 G C 0.076 175.018 174.900 0.070 0.000 1.213 208 G CA -0.227 44.908 45.100 0.059 0.000 0.926 208 G HN 0.567 nan 8.290 nan 0.000 0.523 209 D N -1.540 118.892 120.400 0.054 0.000 2.417 209 D HA 0.119 4.759 4.640 0.001 0.000 0.207 209 D C 1.570 177.901 176.300 0.052 0.000 1.075 209 D CA 0.428 54.457 54.000 0.049 0.000 0.851 209 D CB 0.502 41.318 40.800 0.027 0.000 0.976 209 D HN 0.481 nan 8.370 nan 0.000 0.505 210 T N -0.093 114.499 114.554 0.063 0.000 2.889 210 T HA 0.459 4.810 4.350 0.001 0.000 0.291 210 T C -2.723 172.021 174.700 0.074 0.000 0.995 210 T CA -1.906 60.226 62.100 0.053 0.000 1.092 210 T CB 1.795 70.685 68.868 0.037 0.000 0.954 210 T HN -0.281 nan 8.240 nan 0.000 0.506 211 P HA 0.347 nan 4.420 nan 0.000 0.274 211 P C -0.824 176.543 177.300 0.112 0.000 1.231 211 P CA -0.572 62.563 63.100 0.059 0.000 0.790 211 P CB 0.370 32.080 31.700 0.016 0.000 0.951 212 A N 1.178 124.074 122.820 0.126 0.000 3.157 212 A HA 0.481 4.802 4.320 0.001 0.000 0.276 212 A C 0.163 177.859 177.584 0.186 0.000 1.524 212 A CA 0.117 52.298 52.037 0.241 0.000 1.236 212 A CB -0.964 18.168 19.000 0.219 0.000 1.173 212 A HN 0.386 nan 8.150 nan 0.000 0.595 213 S N 0.113 115.874 115.700 0.101 0.000 2.566 213 S HA 0.403 4.874 4.470 0.001 0.000 0.273 213 S C 0.402 174.733 174.600 -0.448 0.000 1.157 213 S CA -0.523 57.621 58.200 -0.093 0.000 0.938 213 S CB 0.519 63.717 63.200 -0.003 0.000 1.087 213 S HN 0.930 nan 8.310 nan 0.000 0.474 214 Y N 3.724 123.382 120.300 -1.070 0.000 2.569 214 Y HA 0.265 4.816 4.550 0.001 0.000 0.293 214 Y C 1.395 177.009 175.900 -0.478 0.000 1.144 214 Y CA 1.000 58.385 58.100 -1.192 0.000 1.321 214 Y CB -0.210 37.182 38.460 -1.779 0.000 0.982 214 Y HN 0.539 nan 8.280 nan 0.000 0.558 215 K N -0.019 119.880 120.400 -0.834 0.000 2.334 215 K HA 0.024 4.344 4.320 0.001 0.000 0.195 215 K C 1.333 177.797 176.600 -0.226 0.000 1.045 215 K CA 0.611 56.580 56.287 -0.530 0.000 1.004 215 K CB 0.235 32.363 32.500 -0.619 0.000 0.837 215 K HN 0.347 nan 8.250 nan 0.000 0.510 216 E N 0.633 120.729 120.200 -0.173 0.000 2.206 216 E HA -0.013 4.337 4.350 0.001 0.000 0.195 216 E C 0.222 176.805 176.600 -0.028 0.000 0.935 216 E CA 0.496 56.851 56.400 -0.075 0.000 0.875 216 E CB 0.098 29.765 29.700 -0.055 0.000 0.841 216 E HN 0.037 nan 8.360 nan 0.000 0.477 217 N N 1.906 120.609 118.700 0.005 0.000 2.936 217 N HA 0.072 4.812 4.740 0.001 0.000 0.243 217 N C -1.177 174.433 175.510 0.166 0.000 1.149 217 N CA 0.025 53.095 53.050 0.032 0.000 0.914 217 N CB 0.403 38.878 38.487 -0.019 0.000 1.179 217 N HN -0.137 nan 8.380 nan 0.000 0.502 218 E N 1.422 121.701 120.200 0.132 0.000 2.349 218 E HA 0.404 4.754 4.350 0.001 0.000 0.265 218 E C 0.057 176.816 176.600 0.266 0.000 1.064 218 E CA -0.450 56.091 56.400 0.235 0.000 0.886 218 E CB 1.343 31.137 29.700 0.157 0.000 1.036 218 E HN 0.600 nan 8.360 nan 0.000 0.413 219 I N -1.904 118.896 120.570 0.383 0.000 2.892 219 I HA 0.394 4.565 4.170 0.001 0.000 0.306 219 I C 0.209 176.503 176.117 0.296 0.000 1.078 219 I CA -0.733 60.760 61.300 0.321 0.000 1.032 219 I CB 2.063 40.268 38.000 0.341 0.000 1.229 219 I HN 0.421 nan 8.210 nan 0.000 0.435 220 D N 2.368 122.926 120.400 0.263 0.000 2.240 220 D HA 0.274 4.915 4.640 0.001 0.000 0.206 220 D C 0.364 176.792 176.300 0.214 0.000 0.963 220 D CA 0.841 54.990 54.000 0.249 0.000 0.863 220 D CB 0.932 41.892 40.800 0.267 0.000 0.973 220 D HN 0.758 nan 8.370 nan 0.000 0.501 221 A N -0.838 122.070 122.820 0.147 0.000 2.564 221 A HA 0.430 4.750 4.320 0.001 0.000 0.291 221 A C -1.538 176.032 177.584 -0.024 0.000 1.102 221 A CA -0.610 51.364 52.037 -0.106 0.000 0.660 221 A CB 1.568 20.194 19.000 -0.624 0.000 1.283 221 A HN 0.264 nan 8.150 nan 0.000 0.430 222 H N 0.406 119.262 119.070 -0.356 0.000 3.013 222 H HA 0.574 5.130 4.556 0.001 0.000 0.326 222 H C -2.047 172.993 175.328 -0.481 0.000 0.973 222 H CA -0.268 55.648 56.048 -0.220 0.000 1.369 222 H CB 0.671 30.404 29.762 -0.048 0.000 1.598 222 H HN 0.437 nan 8.280 nan 0.000 0.518 223 F N 2.856 122.504 119.950 -0.505 0.000 2.436 223 F HA 0.271 4.799 4.527 0.001 0.000 0.340 223 F C 0.381 175.865 175.800 -0.525 0.000 1.113 223 F CA -0.631 57.099 58.000 -0.451 0.000 1.022 223 F CB 1.800 40.644 39.000 -0.260 0.000 1.128 223 F HN 0.505 nan 8.300 nan 0.000 0.466 224 E N 3.660 123.703 120.200 -0.261 0.000 2.216 224 E HA 0.446 4.796 4.350 0.001 0.000 0.260 224 E C -1.836 174.750 176.600 -0.023 0.000 0.880 224 E CA -1.010 55.308 56.400 -0.136 0.000 0.765 224 E CB 1.552 31.198 29.700 -0.090 0.000 1.174 224 E HN 0.600 nan 8.360 nan 0.000 0.417 225 L N 5.503 126.752 121.223 0.043 0.000 2.276 225 L HA 0.452 4.793 4.340 0.001 0.000 0.286 225 L C -1.313 175.643 176.870 0.142 0.000 1.061 225 L CA -0.034 54.853 54.840 0.078 0.000 0.807 225 L CB 0.973 43.068 42.059 0.060 0.000 1.177 225 L HN 0.640 nan 8.230 nan 0.000 0.429 226 H N 4.564 123.684 119.070 0.083 0.000 3.012 226 H HA 0.395 4.951 4.556 0.001 0.000 0.367 226 H C -0.814 174.530 175.328 0.027 0.000 1.211 226 H CA -0.594 55.498 56.048 0.074 0.000 1.139 226 H CB 1.963 31.759 29.762 0.057 0.000 1.838 226 H HN 0.776 nan 8.280 nan 0.000 0.550 227 I N -0.062 120.476 120.570 -0.053 0.000 2.836 227 I HA 0.086 4.257 4.170 0.001 0.000 0.285 227 I C 1.491 177.434 176.117 -0.290 0.000 1.174 227 I CA -0.030 61.206 61.300 -0.106 0.000 1.405 227 I CB 0.768 38.701 38.000 -0.111 0.000 1.385 227 I HN 0.654 nan 8.210 nan 0.000 0.594 228 E N 2.772 122.661 120.200 -0.518 0.000 2.118 228 E HA -0.257 4.094 4.350 0.001 0.000 0.195 228 E C 0.591 176.858 176.600 -0.555 0.000 0.992 228 E CA 1.621 57.463 56.400 -0.930 0.000 0.804 228 E CB 0.001 29.446 29.700 -0.424 0.000 0.741 228 E HN 0.872 nan 8.360 nan 0.000 0.458 229 Q N -1.745 117.919 119.800 -0.227 0.000 2.439 229 Q HA -0.204 4.136 4.340 0.001 0.000 0.247 229 Q C -0.039 175.904 176.000 -0.095 0.000 0.899 229 Q CA 0.504 56.246 55.803 -0.103 0.000 1.201 229 Q CB -1.672 27.036 28.738 -0.050 0.000 1.608 229 Q HN 0.364 nan 8.270 nan 0.000 0.563 230 G N -0.820 107.920 108.800 -0.100 0.000 2.708 230 G HA2 0.550 4.510 3.960 0.001 0.000 0.289 230 G HA3 0.550 4.510 3.960 0.001 0.000 0.289 230 G C -2.824 172.054 174.900 -0.037 0.000 1.416 230 G CA -0.739 44.331 45.100 -0.049 0.000 0.829 230 G HN -0.124 nan 8.290 nan 0.000 0.480 231 P HA 0.154 nan 4.420 nan 0.000 0.251 231 P C 1.633 178.934 177.300 0.002 0.000 1.223 231 P CA -0.024 63.070 63.100 -0.010 0.000 0.796 231 P CB 0.504 32.200 31.700 -0.007 0.000 1.068 232 I N 0.109 120.689 120.570 0.017 0.000 2.099 232 I HA -0.262 3.908 4.170 0.001 0.000 0.239 232 I C 2.558 178.690 176.117 0.026 0.000 1.066 232 I CA 1.550 62.871 61.300 0.035 0.000 1.324 232 I CB -0.933 37.109 38.000 0.069 0.000 1.037 232 I HN -0.164 nan 8.210 nan 0.000 0.401 233 L N 0.104 121.340 121.223 0.022 0.000 2.083 233 L HA -0.222 4.118 4.340 0.001 0.000 0.209 233 L C 2.643 179.504 176.870 -0.014 0.000 1.083 233 L CA 1.353 56.195 54.840 0.004 0.000 0.752 233 L CB -0.685 41.373 42.059 -0.002 0.000 0.899 233 L HN 0.343 nan 8.230 nan 0.000 0.433 234 E N 0.495 120.684 120.200 -0.017 0.000 2.038 234 E HA -0.302 4.049 4.350 0.001 0.000 0.195 234 E C 1.734 178.331 176.600 -0.005 0.000 1.000 234 E CA 2.002 58.393 56.400 -0.015 0.000 0.803 234 E CB 0.041 29.735 29.700 -0.011 0.000 0.750 234 E HN 0.459 nan 8.360 nan 0.000 0.448 235 D N 0.156 120.557 120.400 0.001 0.000 2.097 235 D HA -0.152 4.489 4.640 0.001 0.000 0.195 235 D C 1.421 177.725 176.300 0.008 0.000 0.989 235 D CA 1.267 55.270 54.000 0.006 0.000 0.827 235 D CB 0.076 40.882 40.800 0.009 0.000 0.966 235 D HN 0.150 nan 8.370 nan 0.000 0.456 236 E N -0.593 119.613 120.200 0.010 0.000 2.502 236 E HA 0.040 4.391 4.350 0.001 0.000 0.194 236 E C -0.097 176.507 176.600 0.006 0.000 1.062 236 E CA -0.045 56.363 56.400 0.013 0.000 0.867 236 E CB -0.111 29.601 29.700 0.020 0.000 0.888 236 E HN 0.346 nan 8.360 nan 0.000 0.510 237 N N 1.027 119.726 118.700 -0.001 0.000 2.741 237 N HA -0.136 4.604 4.740 0.001 0.000 0.250 237 N C -0.848 174.649 175.510 -0.022 0.000 1.115 237 N CA 0.448 53.494 53.050 -0.008 0.000 0.724 237 N CB -0.165 38.323 38.487 0.002 0.000 1.090 237 N HN -0.020 nan 8.380 nan 0.000 0.558 238 K N -0.088 120.293 120.400 -0.032 0.000 2.154 238 K HA 0.483 4.803 4.320 0.001 0.000 0.264 238 K C 1.026 177.561 176.600 -0.108 0.000 1.008 238 K CA 0.371 56.621 56.287 -0.062 0.000 0.937 238 K CB 1.000 33.471 32.500 -0.050 0.000 1.002 238 K HN 0.158 nan 8.250 nan 0.000 0.469 239 A N 1.796 124.502 122.820 -0.190 0.000 2.085 239 A HA 0.213 4.533 4.320 0.001 0.000 0.208 239 A C 0.428 177.812 177.584 -0.332 0.000 1.191 239 A CA 0.537 52.404 52.037 -0.284 0.000 0.799 239 A CB 0.452 19.194 19.000 -0.430 0.000 0.877 239 A HN 0.487 nan 8.150 nan 0.000 0.473 240 I N -0.335 120.043 120.570 -0.319 0.000 2.607 240 I HA 0.432 4.603 4.170 0.001 0.000 0.290 240 I C -0.309 175.715 176.117 -0.155 0.000 1.129 240 I CA -0.254 60.878 61.300 -0.280 0.000 1.042 240 I CB 1.436 39.169 38.000 -0.445 0.000 1.242 240 I HN 0.099 nan 8.210 nan 0.000 0.421 241 G N 6.803 115.569 108.800 -0.057 0.000 2.468 241 G HA2 0.626 4.587 3.960 0.001 0.000 0.315 241 G HA3 0.626 4.587 3.960 0.001 0.000 0.315 241 G C -0.453 174.384 174.900 -0.105 0.000 1.203 241 G CA -0.358 44.734 45.100 -0.014 0.000 0.962 241 G HN 0.474 nan 8.290 nan 0.000 0.476 242 I N 2.832 123.321 120.570 -0.135 0.000 2.347 242 I HA 0.041 4.211 4.170 0.001 0.000 0.294 242 I C 0.136 176.119 176.117 -0.224 0.000 1.090 242 I CA -0.323 60.881 61.300 -0.160 0.000 1.314 242 I CB 1.231 39.163 38.000 -0.113 0.000 1.423 242 I HN 0.022 nan 8.210 nan 0.000 0.503 243 V N 6.416 126.141 119.914 -0.314 0.000 2.387 243 V HA 0.008 4.128 4.120 0.001 0.000 0.260 243 V C 1.438 177.381 176.094 -0.251 0.000 1.054 243 V CA 0.098 62.162 62.300 -0.393 0.000 0.967 243 V CB 0.734 32.220 31.823 -0.561 0.000 1.036 243 V HN 0.908 nan 8.190 nan 0.000 0.481 244 T N 1.478 115.756 114.554 -0.460 0.000 3.014 244 T HA 0.328 4.679 4.350 0.001 0.000 0.263 244 T C 0.834 175.068 174.700 -0.777 0.000 1.078 244 T CA 0.661 62.429 62.100 -0.554 0.000 1.135 244 T CB 0.329 68.780 68.868 -0.696 0.000 0.895 244 T HN 0.957 nan 8.240 nan 0.000 0.480 245 G N -0.219 107.960 108.800 -1.034 0.000 2.488 245 G HA2 0.495 4.456 3.960 0.001 0.000 0.301 245 G HA3 0.495 4.456 3.960 0.001 0.000 0.301 245 G C -2.086 172.614 174.900 -0.334 0.000 1.339 245 G CA -0.565 43.938 45.100 -0.994 0.000 0.803 245 G HN 0.227 nan 8.290 nan 0.000 0.482 246 V N 1.144 120.970 119.914 -0.147 0.000 2.495 246 V HA 0.510 4.630 4.120 0.001 0.000 0.298 246 V C 0.238 176.504 176.094 0.286 0.000 1.031 246 V CA -0.720 61.663 62.300 0.138 0.000 0.871 246 V CB 1.315 33.165 31.823 0.046 0.000 0.988 246 V HN 0.959 nan 8.190 nan 0.000 0.432 247 Q N 3.810 123.788 119.800 0.297 0.000 2.260 247 Q HA 0.769 5.110 4.340 0.001 0.000 0.242 247 Q C -0.075 176.019 176.000 0.155 0.000 0.932 247 Q CA -0.568 55.330 55.803 0.158 0.000 0.891 247 Q CB 1.538 30.311 28.738 0.058 0.000 1.222 247 Q HN 0.794 nan 8.270 nan 0.000 0.453 248 A N 2.204 125.061 122.820 0.061 0.000 2.351 248 A HA 0.523 4.843 4.320 0.001 0.000 0.257 248 A C -0.932 176.723 177.584 0.119 0.000 1.087 248 A CA -0.301 51.727 52.037 -0.014 0.000 0.798 248 A CB -0.027 18.943 19.000 -0.050 0.000 1.033 248 A HN 0.767 nan 8.150 nan 0.000 0.488 249 Y N -1.158 119.145 120.300 0.005 0.000 2.655 249 Y HA 0.734 5.284 4.550 0.000 0.000 0.336 249 Y C -0.879 175.021 175.900 0.000 0.000 1.154 249 Y CA -1.483 56.655 58.100 0.063 0.000 1.055 249 Y CB 1.297 39.827 38.460 0.115 0.000 1.295 249 Y HN 0.675 nan 8.280 nan 0.000 0.465 250 N N 0.325 119.244 118.700 0.364 0.000 2.455 250 N HA 0.438 5.178 4.740 0.001 0.000 0.285 250 N C -2.505 173.354 175.510 0.581 0.000 1.080 250 N CA -0.431 52.780 53.050 0.267 0.000 0.932 250 N CB 1.262 39.870 38.487 0.201 0.000 1.610 250 N HN 0.618 nan 8.380 nan 0.000 0.493 251 W N 2.381 123.811 121.300 0.217 0.000 2.532 251 W HA 0.535 5.195 4.660 0.001 0.000 0.321 251 W C -0.247 176.349 176.519 0.128 0.000 1.037 251 W CA -0.576 56.868 57.345 0.166 0.000 1.220 251 W CB 1.229 30.772 29.460 0.139 0.000 1.361 251 W HN 0.411 nan 8.180 nan 0.000 0.468 252 Q N 1.519 121.510 119.800 0.318 0.000 2.433 252 Q HA 0.496 4.837 4.340 0.001 0.000 0.279 252 Q C -0.962 175.091 176.000 0.089 0.000 1.105 252 Q CA -1.181 54.742 55.803 0.200 0.000 0.815 252 Q CB 3.859 32.727 28.738 0.217 0.000 1.403 252 Q HN 0.302 nan 8.270 nan 0.000 0.435 253 K N 1.315 121.740 120.400 0.041 0.000 2.376 253 K HA 0.534 4.855 4.320 0.001 0.000 0.257 253 K C -1.513 175.025 176.600 -0.104 0.000 0.939 253 K CA -0.419 55.834 56.287 -0.058 0.000 0.809 253 K CB 1.531 34.025 32.500 -0.011 0.000 1.121 253 K HN 0.334 nan 8.250 nan 0.000 0.425 254 V N 2.805 122.513 119.914 -0.343 0.000 2.581 254 V HA 0.453 4.574 4.120 0.001 0.000 0.303 254 V C -0.587 175.348 176.094 -0.264 0.000 1.041 254 V CA -0.643 61.466 62.300 -0.318 0.000 0.907 254 V CB 2.042 33.497 31.823 -0.614 0.000 0.994 254 V HN 0.844 nan 8.190 nan 0.000 0.442 255 T N 3.424 117.962 114.554 -0.027 0.000 2.847 255 T HA 0.533 4.883 4.350 0.001 0.000 0.291 255 T C -0.505 174.182 174.700 -0.022 0.000 0.998 255 T CA -0.419 61.647 62.100 -0.055 0.000 0.967 255 T CB 1.486 70.315 68.868 -0.064 0.000 0.954 255 T HN 0.315 nan 8.240 nan 0.000 0.441 256 V N 3.769 123.661 119.914 -0.037 0.000 2.481 256 V HA 0.411 4.531 4.120 0.001 0.000 0.286 256 V C -0.453 175.555 176.094 -0.142 0.000 1.042 256 V CA -0.776 61.547 62.300 0.038 0.000 0.928 256 V CB 0.944 32.826 31.823 0.098 0.000 0.986 256 V HN 0.877 nan 8.190 nan 0.000 0.462 257 H N 2.034 121.173 119.070 0.115 0.000 2.505 257 H HA 0.736 5.292 4.556 0.000 0.000 0.338 257 H C 0.459 175.828 175.328 0.068 0.000 1.057 257 H CA 0.316 56.412 56.048 0.080 0.000 1.202 257 H CB 1.875 31.677 29.762 0.067 0.000 1.466 257 H HN 0.897 nan 8.280 nan 0.000 0.499 258 G N 1.009 109.902 108.800 0.156 0.000 3.183 258 G HA2 0.494 4.454 3.960 0.001 0.000 0.247 258 G HA3 0.494 4.454 3.960 0.001 0.000 0.247 258 G C -1.336 173.616 174.900 0.086 0.000 1.211 258 G CA -0.662 44.499 45.100 0.102 0.000 0.835 258 G HN 0.457 nan 8.290 nan 0.000 0.604 259 V N 1.001 120.950 119.914 0.059 0.000 2.376 259 V HA 0.590 4.710 4.120 0.001 0.000 0.287 259 V C 0.767 176.881 176.094 0.032 0.000 1.015 259 V CA -0.451 61.877 62.300 0.047 0.000 0.834 259 V CB 0.899 32.745 31.823 0.039 0.000 1.001 259 V HN 1.009 nan 8.190 nan 0.000 0.428 260 G N 3.732 112.553 108.800 0.034 0.000 2.298 260 G HA2 0.520 4.480 3.960 0.001 0.000 0.263 260 G HA3 0.520 4.480 3.960 0.001 0.000 0.263 260 G C 0.028 174.938 174.900 0.017 0.000 1.229 260 G CA 0.803 45.916 45.100 0.021 0.000 0.976 260 G HN 1.298 nan 8.290 nan 0.000 0.459 261 A N 2.731 125.555 122.820 0.006 0.000 2.612 261 A HA 0.575 4.896 4.320 0.001 0.000 0.293 261 A C -0.518 177.076 177.584 0.018 0.000 1.075 261 A CA -0.806 51.243 52.037 0.020 0.000 0.680 261 A CB 0.926 19.936 19.000 0.016 0.000 1.279 261 A HN 0.849 nan 8.150 nan 0.000 0.411 262 H N 1.425 120.470 119.070 -0.043 0.000 3.004 262 H HA 0.356 4.912 4.556 0.001 0.000 0.316 262 H C 0.417 175.698 175.328 -0.078 0.000 1.014 262 H CA 1.094 57.111 56.048 -0.052 0.000 1.454 262 H CB 0.797 30.532 29.762 -0.046 0.000 1.472 262 H HN 0.811 nan 8.280 nan 0.000 0.571 263 A N 3.957 126.661 122.820 -0.193 0.000 2.437 263 A HA 0.471 4.791 4.320 0.001 0.000 0.303 263 A C 1.297 178.876 177.584 -0.008 0.000 1.324 263 A CA 0.490 52.455 52.037 -0.121 0.000 0.983 263 A CB -0.332 18.561 19.000 -0.179 0.000 1.142 263 A HN 1.021 nan 8.150 nan 0.000 0.541 264 G N 1.426 110.250 108.800 0.039 0.000 3.638 264 G HA2 -0.210 3.750 3.960 0.001 0.000 0.196 264 G HA3 -0.210 3.750 3.960 0.001 0.000 0.196 264 G C 1.131 176.040 174.900 0.014 0.000 1.315 264 G CA 0.760 45.899 45.100 0.064 0.000 0.944 264 G HN 1.360 nan 8.290 nan 0.000 0.434 265 T N 0.223 114.799 114.554 0.036 0.000 3.100 265 T HA 0.336 4.687 4.350 0.001 0.000 0.253 265 T C 0.786 175.445 174.700 -0.068 0.000 1.118 265 T CA 1.470 63.513 62.100 -0.096 0.000 1.058 265 T CB 0.231 68.954 68.868 -0.241 0.000 0.953 265 T HN 0.477 nan 8.240 nan 0.000 0.515 266 T N 4.882 119.404 114.554 -0.054 0.000 2.756 266 T HA 0.523 4.873 4.350 0.001 0.000 0.290 266 T C -2.730 171.862 174.700 -0.179 0.000 0.985 266 T CA -1.380 60.669 62.100 -0.085 0.000 0.955 266 T CB 1.644 70.476 68.868 -0.060 0.000 0.930 266 T HN 0.164 nan 8.240 nan 0.000 0.451 267 P HA 0.259 nan 4.420 nan 0.000 0.282 267 P C 0.285 177.474 177.300 -0.185 0.000 1.259 267 P CA -0.869 62.089 63.100 -0.236 0.000 0.826 267 P CB 1.070 32.724 31.700 -0.075 0.000 1.064 268 W N 0.800 122.104 121.300 0.007 0.000 2.280 268 W HA -0.232 4.428 4.660 -0.001 0.000 0.332 268 W C 2.680 179.203 176.519 0.006 0.000 1.300 268 W CA 1.530 58.878 57.345 0.005 0.000 1.274 268 W CB -1.163 28.298 29.460 0.002 0.000 1.141 268 W HN 0.410 nan 8.180 nan 0.000 0.474 269 R N 0.297 120.948 120.500 0.252 0.000 2.185 269 R HA -0.177 4.163 4.340 0.001 0.000 0.247 269 R C 1.276 177.632 176.300 0.094 0.000 1.159 269 R CA 1.449 57.636 56.100 0.145 0.000 0.988 269 R CB -0.469 29.895 30.300 0.107 0.000 0.871 269 R HN 0.310 nan 8.270 nan 0.000 0.458 270 L N -0.042 121.222 121.223 0.068 0.000 3.122 270 L HA 0.286 4.626 4.340 0.001 0.000 0.274 270 L C -0.077 176.810 176.870 0.029 0.000 1.222 270 L CA -0.333 54.531 54.840 0.039 0.000 1.028 270 L CB 0.560 42.630 42.059 0.019 0.000 1.386 270 L HN -0.014 nan 8.230 nan 0.000 0.578 271 R N 0.924 121.451 120.500 0.045 0.000 2.457 271 R HA 0.362 4.702 4.340 0.001 0.000 0.284 271 R C -0.178 176.156 176.300 0.058 0.000 1.024 271 R CA -0.287 55.832 56.100 0.033 0.000 1.025 271 R CB 1.262 31.578 30.300 0.027 0.000 1.063 271 R HN -0.021 nan 8.270 nan 0.000 0.493 272 K N 2.013 122.441 120.400 0.046 0.000 2.606 272 K HA 0.099 4.420 4.320 0.001 0.000 0.196 272 K C -1.139 175.491 176.600 0.050 0.000 1.048 272 K CA -0.446 55.876 56.287 0.057 0.000 1.017 272 K CB 0.922 33.458 32.500 0.060 0.000 1.413 272 K HN 0.406 nan 8.250 nan 0.000 0.568 273 D N 1.709 122.142 120.400 0.055 0.000 2.352 273 D HA 0.145 4.785 4.640 0.001 0.000 0.245 273 D C 0.874 177.192 176.300 0.029 0.000 1.224 273 D CA -0.060 53.964 54.000 0.039 0.000 0.879 273 D CB 1.383 42.212 40.800 0.048 0.000 1.057 273 D HN 0.525 nan 8.370 nan 0.000 0.491 274 A N 4.291 127.123 122.820 0.020 0.000 1.898 274 A HA -0.163 4.157 4.320 0.001 0.000 0.216 274 A C 1.883 179.457 177.584 -0.018 0.000 1.181 274 A CA 0.680 52.725 52.037 0.013 0.000 0.620 274 A CB -0.332 18.677 19.000 0.016 0.000 0.819 274 A HN 0.564 nan 8.150 nan 0.000 0.442 275 L N -0.792 120.414 121.223 -0.027 0.000 2.093 275 L HA -0.060 4.280 4.340 0.001 0.000 0.208 275 L C 2.190 179.017 176.870 -0.073 0.000 1.085 275 L CA 1.513 56.318 54.840 -0.059 0.000 0.755 275 L CB -0.806 41.220 42.059 -0.054 0.000 0.904 275 L HN 0.353 nan 8.230 nan 0.000 0.435 276 L N -1.040 120.164 121.223 -0.033 0.000 1.971 276 L HA -0.271 4.070 4.340 0.001 0.000 0.215 276 L C 2.471 179.304 176.870 -0.062 0.000 1.072 276 L CA 2.013 56.839 54.840 -0.023 0.000 0.758 276 L CB -0.787 41.294 42.059 0.037 0.000 0.889 276 L HN 0.251 nan 8.230 nan 0.000 0.433 277 M N -0.803 118.766 119.600 -0.052 0.000 2.163 277 M HA -0.267 4.213 4.480 0.001 0.000 0.258 277 M C 2.453 178.645 176.300 -0.180 0.000 1.071 277 M CA 2.277 57.526 55.300 -0.084 0.000 1.093 277 M CB -1.403 31.171 32.600 -0.044 0.000 1.285 277 M HN 0.361 nan 8.290 nan 0.000 0.420 278 S N 0.153 115.727 115.700 -0.210 0.000 2.374 278 S HA -0.142 4.328 4.470 0.001 0.000 0.227 278 S C 2.061 176.365 174.600 -0.493 0.000 1.037 278 S CA 1.745 59.686 58.200 -0.432 0.000 1.024 278 S CB -0.326 62.611 63.200 -0.438 0.000 0.861 278 S HN 0.496 nan 8.310 nan 0.000 0.456 279 S N 1.164 116.681 115.700 -0.305 0.000 2.368 279 S HA -0.070 4.400 4.470 0.001 0.000 0.225 279 S C 1.858 176.338 174.600 -0.200 0.000 1.030 279 S CA 0.988 59.045 58.200 -0.238 0.000 0.999 279 S CB -0.195 62.916 63.200 -0.149 0.000 0.844 279 S HN 0.464 nan 8.310 nan 0.000 0.459 280 K N 0.699 120.995 120.400 -0.173 0.000 2.103 280 K HA -0.037 4.283 4.320 0.001 0.000 0.207 280 K C 2.176 178.676 176.600 -0.166 0.000 1.048 280 K CA 1.209 57.416 56.287 -0.134 0.000 0.930 280 K CB -0.287 32.150 32.500 -0.105 0.000 0.716 280 K HN 0.392 nan 8.250 nan 0.000 0.444 281 M N 0.488 119.918 119.600 -0.283 0.000 2.077 281 M HA -0.157 4.323 4.480 0.001 0.000 0.261 281 M C 2.285 178.435 176.300 -0.249 0.000 1.070 281 M CA 1.564 56.627 55.300 -0.394 0.000 1.125 281 M CB -0.402 31.761 32.600 -0.729 0.000 1.339 281 M HN 0.092 nan 8.290 nan 0.000 0.409 282 I N -0.234 120.164 120.570 -0.287 0.000 2.194 282 I HA -0.309 3.861 4.170 0.001 0.000 0.246 282 I C 2.311 178.389 176.117 -0.066 0.000 1.093 282 I CA 1.311 62.548 61.300 -0.105 0.000 1.355 282 I CB -0.379 37.550 38.000 -0.118 0.000 1.046 282 I HN 0.106 nan 8.210 nan 0.000 0.413 283 V N 0.797 120.665 119.914 -0.077 0.000 2.307 283 V HA -0.274 3.846 4.120 0.001 0.000 0.245 283 V C 2.687 178.755 176.094 -0.044 0.000 1.045 283 V CA 1.920 64.197 62.300 -0.040 0.000 1.024 283 V CB -0.967 30.832 31.823 -0.040 0.000 0.651 283 V HN 0.502 nan 8.190 nan 0.000 0.449 284 A N 0.077 122.874 122.820 -0.038 0.000 1.908 284 A HA -0.178 4.142 4.320 0.001 0.000 0.218 284 A C 2.403 179.984 177.584 -0.005 0.000 1.181 284 A CA 2.300 54.342 52.037 0.009 0.000 0.627 284 A CB -0.799 18.241 19.000 0.067 0.000 0.818 284 A HN 0.586 nan 8.150 nan 0.000 0.445 285 A N 0.051 122.822 122.820 -0.082 0.000 1.930 285 A HA -0.056 4.264 4.320 0.001 0.000 0.217 285 A C 2.518 179.826 177.584 -0.460 0.000 1.175 285 A CA 2.224 54.089 52.037 -0.287 0.000 0.627 285 A CB -0.914 17.695 19.000 -0.652 0.000 0.815 285 A HN 1.030 nan 8.150 nan 0.000 0.443 286 S N -0.070 115.409 115.700 -0.369 0.000 2.383 286 S HA -0.188 4.283 4.470 0.001 0.000 0.227 286 S C 1.672 176.310 174.600 0.064 0.000 1.026 286 S CA 1.476 59.676 58.200 0.001 0.000 0.981 286 S CB -0.458 62.837 63.200 0.159 0.000 0.818 286 S HN 0.653 nan 8.310 nan 0.000 0.472 287 E N 0.859 121.077 120.200 0.030 0.000 2.106 287 E HA 0.011 4.362 4.350 0.001 0.000 0.192 287 E C 2.032 178.685 176.600 0.089 0.000 0.984 287 E CA 1.270 57.704 56.400 0.056 0.000 0.806 287 E CB -0.307 29.413 29.700 0.035 0.000 0.750 287 E HN 0.590 nan 8.360 nan 0.000 0.458 288 I N 1.139 121.759 120.570 0.084 0.000 2.179 288 I HA -0.279 3.891 4.170 0.001 0.000 0.242 288 I C 2.552 178.788 176.117 0.198 0.000 1.088 288 I CA 0.961 62.332 61.300 0.118 0.000 1.357 288 I CB -0.308 37.701 38.000 0.014 0.000 1.051 288 I HN 0.089 nan 8.210 nan 0.000 0.409 289 A N -0.049 122.908 122.820 0.227 0.000 1.940 289 A HA -0.289 4.032 4.320 0.001 0.000 0.219 289 A C 2.247 179.982 177.584 0.252 0.000 1.176 289 A CA 1.772 53.991 52.037 0.304 0.000 0.631 289 A CB -0.616 18.627 19.000 0.405 0.000 0.814 289 A HN 0.478 nan 8.150 nan 0.000 0.446 290 Q N -1.074 118.841 119.800 0.191 0.000 2.079 290 Q HA -0.093 4.248 4.340 0.001 0.000 0.200 290 Q C 2.419 178.493 176.000 0.124 0.000 0.974 290 Q CA 1.046 56.933 55.803 0.141 0.000 0.840 290 Q CB -0.116 28.683 28.738 0.101 0.000 0.898 290 Q HN 0.586 nan 8.270 nan 0.000 0.430 291 R N -0.171 120.407 120.500 0.130 0.000 2.096 291 R HA -0.142 4.199 4.340 0.001 0.000 0.240 291 R C 1.390 177.670 176.300 -0.033 0.000 1.139 291 R CA 1.279 57.402 56.100 0.037 0.000 0.952 291 R CB -0.208 30.102 30.300 0.017 0.000 0.854 291 R HN 0.492 nan 8.270 nan 0.000 0.436 292 H N -0.365 118.733 119.070 0.047 0.000 2.524 292 H HA 0.124 4.680 4.556 0.000 0.000 0.280 292 H C 0.283 175.705 175.328 0.157 0.000 1.018 292 H CA -0.244 55.833 56.048 0.048 0.000 1.165 292 H CB 0.044 29.787 29.762 -0.032 0.000 1.411 292 H HN 0.296 nan 8.280 nan 0.000 0.569 293 N N 0.987 119.819 118.700 0.221 0.000 2.681 293 N HA -0.131 4.610 4.740 0.001 0.000 0.250 293 N C 0.762 176.389 175.510 0.194 0.000 1.133 293 N CA 0.538 53.693 53.050 0.174 0.000 0.732 293 N CB -0.565 37.984 38.487 0.103 0.000 1.107 293 N HN 0.500 nan 8.380 nan 0.000 0.559 294 G N -0.131 108.887 108.800 0.363 0.000 2.525 294 G HA2 0.634 4.594 3.960 0.001 0.000 0.287 294 G HA3 0.634 4.594 3.960 0.001 0.000 0.287 294 G C -0.023 175.026 174.900 0.248 0.000 1.350 294 G CA -0.487 44.848 45.100 0.391 0.000 1.039 294 G HN 0.138 nan 8.290 nan 0.000 0.513 295 L N -0.766 120.610 121.223 0.257 0.000 2.362 295 L HA 0.606 4.946 4.340 0.001 0.000 0.271 295 L C -1.177 175.838 176.870 0.241 0.000 1.002 295 L CA -0.728 54.229 54.840 0.195 0.000 0.818 295 L CB 2.323 44.443 42.059 0.101 0.000 1.298 295 L HN 0.490 nan 8.230 nan 0.000 0.420 296 F N 0.904 120.836 119.950 -0.030 0.000 2.565 296 F HA 0.760 5.287 4.527 0.001 0.000 0.313 296 F C -0.861 174.822 175.800 -0.194 0.000 1.091 296 F CA -0.109 57.734 58.000 -0.261 0.000 0.915 296 F CB 2.272 41.070 39.000 -0.337 0.000 1.208 296 F HN 0.361 nan 8.300 nan 0.000 0.453 297 T N 4.503 118.210 114.554 -1.411 0.000 2.952 297 T HA 0.353 4.703 4.350 0.001 0.000 0.305 297 T C -1.794 172.217 174.700 -1.149 0.000 1.064 297 T CA -0.589 60.905 62.100 -1.011 0.000 1.008 297 T CB 1.211 69.767 68.868 -0.521 0.000 1.078 297 T HN 0.786 nan 8.240 nan 0.000 0.459 298 C N 2.423 121.294 119.300 -0.714 0.000 2.301 298 C HA 0.777 5.237 4.460 0.001 0.000 0.323 298 C C 1.474 176.333 174.990 -0.219 0.000 1.265 298 C CA -0.050 58.758 59.018 -0.349 0.000 1.503 298 C CB -0.724 26.966 27.740 -0.083 0.000 2.195 298 C HN 1.148 nan 8.230 nan 0.000 0.477 299 G N 4.677 113.353 108.800 -0.206 0.000 2.939 299 G HA2 0.305 4.265 3.960 0.001 0.000 0.216 299 G HA3 0.305 4.265 3.960 0.001 0.000 0.216 299 G C 0.182 175.014 174.900 -0.114 0.000 1.125 299 G CA 0.193 45.188 45.100 -0.175 0.000 0.766 299 G HN 0.666 nan 8.290 nan 0.000 0.541 300 I N 0.731 121.257 120.570 -0.074 0.000 2.499 300 I HA 0.561 4.731 4.170 0.001 0.000 0.288 300 I C -1.504 174.640 176.117 0.044 0.000 1.048 300 I CA -0.779 60.503 61.300 -0.031 0.000 1.062 300 I CB 2.568 40.536 38.000 -0.053 0.000 1.238 300 I HN -0.070 nan 8.210 nan 0.000 0.426 301 I N 5.294 125.892 120.570 0.046 0.000 2.752 301 I HA 0.421 4.591 4.170 0.001 0.000 0.295 301 I C -2.039 174.120 176.117 0.070 0.000 1.219 301 I CA -0.133 61.219 61.300 0.086 0.000 1.030 301 I CB 2.697 40.724 38.000 0.046 0.000 1.259 301 I HN 0.546 nan 8.210 nan 0.000 0.423 302 D N 6.346 126.798 120.400 0.086 0.000 2.616 302 D HA 0.542 5.182 4.640 0.001 0.000 0.238 302 D C -0.871 175.484 176.300 0.092 0.000 1.354 302 D CA -0.152 53.901 54.000 0.089 0.000 0.970 302 D CB 2.012 42.847 40.800 0.059 0.000 1.369 302 D HN 0.620 nan 8.370 nan 0.000 0.585 303 A N 2.777 125.668 122.820 0.118 0.000 2.327 303 A HA 0.676 4.997 4.320 0.001 0.000 0.283 303 A C -0.157 177.498 177.584 0.118 0.000 1.127 303 A CA -0.273 51.813 52.037 0.081 0.000 0.810 303 A CB 0.731 19.746 19.000 0.024 0.000 1.066 303 A HN 0.410 nan 8.150 nan 0.000 0.492 304 K N 2.386 122.829 120.400 0.071 0.000 2.468 304 K HA 0.489 4.809 4.320 0.001 0.000 0.252 304 K C -2.885 173.744 176.600 0.049 0.000 0.932 304 K CA -1.925 54.406 56.287 0.074 0.000 0.794 304 K CB 2.611 35.144 32.500 0.054 0.000 1.241 304 K HN 0.529 nan 8.250 nan 0.000 0.428 305 P HA -0.034 nan 4.420 nan 0.000 0.272 305 P C -1.226 176.137 177.300 0.106 0.000 1.230 305 P CA -0.149 62.995 63.100 0.073 0.000 0.788 305 P CB 0.447 32.176 31.700 0.048 0.000 0.949 306 Y N 1.288 121.577 120.300 -0.017 0.000 2.454 306 Y HA 0.446 4.996 4.550 0.001 0.000 0.345 306 Y C -0.188 175.695 175.900 -0.028 0.000 0.970 306 Y CA 0.324 58.411 58.100 -0.022 0.000 1.204 306 Y CB 0.434 38.884 38.460 -0.017 0.000 1.122 306 Y HN 0.412 nan 8.280 nan 0.000 0.514 307 S N 3.910 119.521 115.700 -0.149 0.000 2.560 307 S HA 0.228 4.698 4.470 0.001 0.000 0.283 307 S C 0.075 174.567 174.600 -0.181 0.000 1.141 307 S CA -0.586 57.539 58.200 -0.126 0.000 0.902 307 S CB 0.560 63.726 63.200 -0.056 0.000 1.104 307 S HN 0.506 nan 8.310 nan 0.000 0.454 308 V N 3.333 123.148 119.914 -0.165 0.000 2.380 308 V HA -0.128 3.992 4.120 0.001 0.000 0.251 308 V C 1.659 177.661 176.094 -0.153 0.000 1.063 308 V CA 2.192 64.397 62.300 -0.157 0.000 1.055 308 V CB -0.833 30.921 31.823 -0.116 0.000 0.657 308 V HN 0.909 nan 8.190 nan 0.000 0.455 309 N N -0.329 118.268 118.700 -0.171 0.000 2.467 309 N HA 0.249 4.989 4.740 0.001 0.000 0.278 309 N C -0.522 174.812 175.510 -0.292 0.000 1.306 309 N CA -0.087 52.824 53.050 -0.231 0.000 0.905 309 N CB 0.249 38.574 38.487 -0.270 0.000 1.236 309 N HN 0.446 nan 8.380 nan 0.000 0.509 310 I N 1.055 121.506 120.570 -0.197 0.000 2.436 310 I HA 0.377 4.547 4.170 0.001 0.000 0.289 310 I C 0.135 176.185 176.117 -0.111 0.000 1.010 310 I CA -1.017 60.188 61.300 -0.158 0.000 1.098 310 I CB 2.252 40.190 38.000 -0.104 0.000 1.266 310 I HN -0.112 nan 8.210 nan 0.000 0.434 311 I N 7.799 128.314 120.570 -0.091 0.000 2.662 311 I HA 0.051 4.222 4.170 0.001 0.000 0.285 311 I C -1.991 174.103 176.117 -0.038 0.000 1.161 311 I CA -1.305 59.956 61.300 -0.065 0.000 1.415 311 I CB 0.101 38.068 38.000 -0.054 0.000 1.385 311 I HN 0.186 nan 8.210 nan 0.000 0.552 312 P HA -0.035 nan 4.420 nan 0.000 0.257 312 P C 0.822 178.124 177.300 0.005 0.000 1.189 312 P CA 0.361 63.453 63.100 -0.014 0.000 0.780 312 P CB 0.552 32.241 31.700 -0.018 0.000 0.772 313 G N 2.873 111.684 108.800 0.018 0.000 2.683 313 G HA2 -0.045 3.915 3.960 0.001 0.000 0.213 313 G HA3 -0.045 3.915 3.960 0.001 0.000 0.213 313 G C 0.166 175.094 174.900 0.046 0.000 1.142 313 G CA 0.187 45.311 45.100 0.039 0.000 0.793 313 G HN 0.529 nan 8.290 nan 0.000 0.534 314 E N -0.060 120.153 120.200 0.022 0.000 2.274 314 E HA 0.483 4.834 4.350 0.001 0.000 0.269 314 E C -1.805 174.785 176.600 -0.017 0.000 0.891 314 E CA -0.522 55.862 56.400 -0.026 0.000 0.784 314 E CB 2.407 32.096 29.700 -0.018 0.000 1.225 314 E HN -0.111 nan 8.360 nan 0.000 0.412 315 V N 3.020 122.920 119.914 -0.023 0.000 2.540 315 V HA 0.460 4.580 4.120 0.001 0.000 0.302 315 V C -0.415 175.721 176.094 0.070 0.000 1.035 315 V CA -0.662 61.662 62.300 0.039 0.000 0.873 315 V CB 2.062 33.920 31.823 0.058 0.000 0.992 315 V HN 0.684 nan 8.190 nan 0.000 0.428 316 S N 4.891 120.644 115.700 0.087 0.000 2.475 316 S HA 0.878 5.349 4.470 0.001 0.000 0.298 316 S C -0.785 173.928 174.600 0.188 0.000 1.119 316 S CA -0.447 57.798 58.200 0.076 0.000 1.085 316 S CB 1.012 64.223 63.200 0.017 0.000 1.028 316 S HN 0.646 nan 8.310 nan 0.000 0.489 317 F N -0.479 119.464 119.950 -0.012 0.000 2.645 317 F HA 0.777 5.304 4.527 0.001 0.000 0.310 317 F C -0.296 175.509 175.800 0.009 0.000 1.102 317 F CA -1.071 56.921 58.000 -0.014 0.000 0.952 317 F CB 0.819 39.806 39.000 -0.022 0.000 1.326 317 F HN 0.459 nan 8.300 nan 0.000 0.456 318 T N 0.816 115.399 114.554 0.049 0.000 2.929 318 T HA 0.759 5.109 4.350 0.001 0.000 0.284 318 T C -0.866 173.862 174.700 0.047 0.000 1.014 318 T CA -0.821 61.250 62.100 -0.048 0.000 1.051 318 T CB 1.720 70.525 68.868 -0.104 0.000 1.028 318 T HN 0.755 nan 8.240 nan 0.000 0.485 319 L N 1.928 123.182 121.223 0.053 0.000 2.362 319 L HA 0.520 4.861 4.340 0.001 0.000 0.275 319 L C -0.936 175.952 176.870 0.031 0.000 0.998 319 L CA -0.767 54.166 54.840 0.155 0.000 0.820 319 L CB 1.954 44.274 42.059 0.435 0.000 1.270 319 L HN 0.786 nan 8.230 nan 0.000 0.415 320 D N 3.379 123.638 120.400 -0.236 0.000 2.408 320 D HA 0.353 4.994 4.640 0.001 0.000 0.261 320 D C -1.104 175.162 176.300 -0.057 0.000 1.190 320 D CA -0.171 53.778 54.000 -0.086 0.000 0.910 320 D CB 0.551 41.152 40.800 -0.332 0.000 1.097 320 D HN 0.048 nan 8.370 nan 0.000 0.522 321 F N 1.594 121.742 119.950 0.329 0.000 2.397 321 F HA 0.743 5.270 4.527 0.000 0.000 0.331 321 F C 0.854 176.827 175.800 0.288 0.000 1.090 321 F CA -0.506 57.676 58.000 0.303 0.000 1.065 321 F CB 1.926 41.077 39.000 0.251 0.000 1.184 321 F HN 0.314 nan 8.300 nan 0.000 0.499 322 A N 2.265 125.350 122.820 0.442 0.000 2.539 322 A HA 0.743 5.063 4.320 0.001 0.000 0.296 322 A C -1.615 176.151 177.584 0.303 0.000 1.073 322 A CA -0.429 51.817 52.037 0.347 0.000 0.700 322 A CB 1.784 20.946 19.000 0.271 0.000 1.296 322 A HN 0.840 nan 8.150 nan 0.000 0.405 323 H N 0.729 119.849 119.070 0.083 0.000 3.094 323 H HA 0.262 4.819 4.556 0.001 0.000 0.346 323 H C -2.589 172.639 175.328 -0.167 0.000 1.238 323 H CA -0.938 55.089 56.048 -0.034 0.000 1.209 323 H CB 2.569 32.312 29.762 -0.033 0.000 1.911 323 H HN 0.323 nan 8.280 nan 0.000 0.540 324 P HA -0.122 nan 4.420 nan 0.000 0.216 324 P C 0.227 177.284 177.300 -0.404 0.000 1.150 324 P CA 1.133 63.736 63.100 -0.828 0.000 0.837 324 P CB 0.276 31.160 31.700 -1.360 0.000 0.786 325 S N -0.535 115.192 115.700 0.045 0.000 2.433 325 S HA 0.179 4.649 4.470 0.001 0.000 0.310 325 S C 0.927 175.521 174.600 -0.010 0.000 1.097 325 S CA -0.735 57.477 58.200 0.020 0.000 1.103 325 S CB 0.252 63.478 63.200 0.044 0.000 0.992 325 S HN -0.130 nan 8.310 nan 0.000 0.469 326 D N 3.545 123.917 120.400 -0.045 0.000 2.158 326 D HA -0.141 4.499 4.640 0.001 0.000 0.197 326 D C 1.066 177.310 176.300 -0.092 0.000 0.995 326 D CA 1.359 55.319 54.000 -0.067 0.000 0.846 326 D CB 0.082 40.843 40.800 -0.066 0.000 0.941 326 D HN 0.699 nan 8.370 nan 0.000 0.456 327 D N 0.040 120.388 120.400 -0.088 0.000 2.117 327 D HA -0.087 4.554 4.640 0.001 0.000 0.198 327 D C 2.275 178.485 176.300 -0.149 0.000 0.982 327 D CA 0.544 54.485 54.000 -0.099 0.000 0.828 327 D CB 0.311 41.069 40.800 -0.071 0.000 0.967 327 D HN 0.093 nan 8.370 nan 0.000 0.464 328 V N 1.381 121.165 119.914 -0.218 0.000 2.407 328 V HA -0.178 3.942 4.120 0.001 0.000 0.245 328 V C 2.487 178.336 176.094 -0.408 0.000 1.041 328 V CA 0.662 62.743 62.300 -0.365 0.000 1.040 328 V CB -0.396 31.058 31.823 -0.615 0.000 0.671 328 V HN 0.109 nan 8.190 nan 0.000 0.455 329 L N 1.375 122.396 121.223 -0.337 0.000 2.021 329 L HA -0.232 4.108 4.340 0.001 0.000 0.215 329 L C 2.520 179.247 176.870 -0.239 0.000 1.074 329 L CA 2.512 57.224 54.840 -0.214 0.000 0.760 329 L CB -1.097 40.919 42.059 -0.072 0.000 0.889 329 L HN 0.260 nan 8.230 nan 0.000 0.433 330 A N -1.809 120.893 122.820 -0.196 0.000 1.892 330 A HA -0.284 4.036 4.320 0.001 0.000 0.218 330 A C 2.272 179.721 177.584 -0.225 0.000 1.188 330 A CA 2.727 54.655 52.037 -0.182 0.000 0.631 330 A CB -1.337 17.582 19.000 -0.135 0.000 0.822 330 A HN 0.554 nan 8.150 nan 0.000 0.447 331 T N -0.389 114.023 114.554 -0.238 0.000 2.821 331 T HA -0.104 4.247 4.350 0.001 0.000 0.267 331 T C 1.924 176.385 174.700 -0.399 0.000 1.046 331 T CA 1.643 63.594 62.100 -0.248 0.000 1.139 331 T CB -0.269 68.499 68.868 -0.168 0.000 0.871 331 T HN 0.428 nan 8.240 nan 0.000 0.454 332 M N 0.408 119.692 119.600 -0.527 0.000 2.086 332 M HA -0.006 4.475 4.480 0.001 0.000 0.261 332 M C 2.107 178.015 176.300 -0.654 0.000 1.067 332 M CA 1.611 56.508 55.300 -0.671 0.000 1.116 332 M CB -0.465 31.769 32.600 -0.610 0.000 1.348 332 M HN 0.185 nan 8.290 nan 0.000 0.407 333 L N -0.564 120.311 121.223 -0.580 0.000 2.083 333 L HA -0.229 4.112 4.340 0.001 0.000 0.209 333 L C 2.503 179.143 176.870 -0.383 0.000 1.083 333 L CA 1.223 55.744 54.840 -0.531 0.000 0.752 333 L CB -0.606 41.245 42.059 -0.347 0.000 0.899 333 L HN 0.268 nan 8.230 nan 0.000 0.433 334 K N 0.084 120.304 120.400 -0.299 0.000 2.057 334 K HA -0.198 4.122 4.320 0.001 0.000 0.207 334 K C 2.013 178.477 176.600 -0.226 0.000 1.049 334 K CA 1.535 57.693 56.287 -0.216 0.000 0.931 334 K CB 0.034 32.432 32.500 -0.170 0.000 0.714 334 K HN 0.368 nan 8.250 nan 0.000 0.440 335 E N -0.192 119.847 120.200 -0.269 0.000 2.107 335 E HA -0.138 4.212 4.350 0.001 0.000 0.191 335 E C 1.941 178.375 176.600 -0.277 0.000 0.982 335 E CA 0.736 57.001 56.400 -0.227 0.000 0.809 335 E CB -0.020 29.552 29.700 -0.214 0.000 0.756 335 E HN 0.310 nan 8.360 nan 0.000 0.459 336 A N 1.814 124.380 122.820 -0.423 0.000 1.873 336 A HA -0.229 4.091 4.320 0.001 0.000 0.218 336 A C 2.436 179.511 177.584 -0.849 0.000 1.193 336 A CA 2.035 53.693 52.037 -0.633 0.000 0.629 336 A CB -0.871 17.709 19.000 -0.701 0.000 0.826 336 A HN 0.311 nan 8.150 nan 0.000 0.447 337 A N -0.253 122.234 122.820 -0.556 0.000 1.883 337 A HA 0.072 4.393 4.320 0.001 0.000 0.217 337 A C 2.543 180.051 177.584 -0.127 0.000 1.186 337 A CA 2.583 54.435 52.037 -0.308 0.000 0.624 337 A CB -1.182 17.733 19.000 -0.142 0.000 0.822 337 A HN 1.239 nan 8.150 nan 0.000 0.444 338 A N -0.717 122.032 122.820 -0.118 0.000 1.972 338 A HA -0.126 4.194 4.320 0.001 0.000 0.219 338 A C 1.965 179.559 177.584 0.015 0.000 1.169 338 A CA 2.170 54.188 52.037 -0.032 0.000 0.635 338 A CB -0.400 18.572 19.000 -0.047 0.000 0.810 338 A HN 0.582 nan 8.150 nan 0.000 0.446 339 E N -0.687 119.506 120.200 -0.012 0.000 2.076 339 E HA -0.074 4.276 4.350 0.001 0.000 0.190 339 E C 1.521 178.280 176.600 0.265 0.000 0.979 339 E CA 0.985 57.442 56.400 0.094 0.000 0.807 339 E CB -0.395 29.353 29.700 0.081 0.000 0.761 339 E HN 0.473 nan 8.360 nan 0.000 0.454 340 F N 1.557 121.504 119.950 -0.004 0.000 2.171 340 F HA -0.109 4.419 4.527 0.001 0.000 0.300 340 F C 1.854 177.722 175.800 0.114 0.000 1.090 340 F CA 1.251 59.226 58.000 -0.042 0.000 1.293 340 F CB -1.020 37.823 39.000 -0.260 0.000 1.013 340 F HN 0.121 nan 8.300 nan 0.000 0.486 341 D N -0.437 120.191 120.400 0.379 0.000 2.218 341 D HA -0.137 4.503 4.640 0.001 0.000 0.204 341 D C 2.409 178.820 176.300 0.185 0.000 0.976 341 D CA 0.705 54.882 54.000 0.294 0.000 0.853 341 D CB -0.279 40.637 40.800 0.193 0.000 0.939 341 D HN 0.249 nan 8.370 nan 0.000 0.481 342 R N 0.162 120.753 120.500 0.151 0.000 2.080 342 R HA 0.081 4.421 4.340 0.001 0.000 0.222 342 R C 2.300 178.657 176.300 0.094 0.000 1.107 342 R CA 0.273 56.433 56.100 0.101 0.000 0.980 342 R CB -0.110 30.236 30.300 0.077 0.000 0.879 342 R HN 0.145 nan 8.270 nan 0.000 0.439 343 L N 0.477 121.765 121.223 0.107 0.000 2.156 343 L HA -0.101 4.239 4.340 0.001 0.000 0.208 343 L C 2.321 179.232 176.870 0.068 0.000 1.095 343 L CA 0.505 55.385 54.840 0.066 0.000 0.770 343 L CB -0.150 41.931 42.059 0.036 0.000 0.914 343 L HN 0.210 nan 8.230 nan 0.000 0.439 344 I N -0.150 120.489 120.570 0.115 0.000 2.614 344 I HA -0.237 3.933 4.170 0.001 0.000 0.258 344 I C 2.133 178.316 176.117 0.110 0.000 1.189 344 I CA 1.360 62.742 61.300 0.137 0.000 1.462 344 I CB -0.140 38.020 38.000 0.268 0.000 1.092 344 I HN 0.089 nan 8.210 nan 0.000 0.442 345 K N 0.328 120.785 120.400 0.095 0.000 2.361 345 K HA 0.229 4.550 4.320 0.001 0.000 0.196 345 K C 0.636 177.268 176.600 0.054 0.000 1.039 345 K CA 0.383 56.713 56.287 0.071 0.000 1.001 345 K CB -0.063 32.475 32.500 0.064 0.000 0.795 345 K HN 0.298 nan 8.250 nan 0.000 0.495 346 I N 2.640 123.240 120.570 0.049 0.000 2.311 346 I HA 0.050 4.220 4.170 0.001 0.000 0.297 346 I C -0.533 175.604 176.117 0.033 0.000 1.131 346 I CA -0.280 61.040 61.300 0.033 0.000 1.289 346 I CB -0.433 37.581 38.000 0.023 0.000 1.446 346 I HN 0.059 nan 8.210 nan 0.000 0.524 347 N N 3.895 122.618 118.700 0.037 0.000 3.343 347 N HA 0.059 4.799 4.740 0.001 0.000 0.225 347 N C 0.129 175.669 175.510 0.050 0.000 1.096 347 N CA -0.342 52.736 53.050 0.047 0.000 1.040 347 N CB 1.119 39.641 38.487 0.058 0.000 1.611 347 N HN 0.244 nan 8.380 nan 0.000 0.689 348 D N 2.215 122.647 120.400 0.054 0.000 2.133 348 D HA -0.135 4.505 4.640 0.001 0.000 0.192 348 D C 1.650 177.985 176.300 0.058 0.000 1.001 348 D CA 2.033 56.066 54.000 0.055 0.000 0.844 348 D CB -0.254 40.590 40.800 0.073 0.000 0.944 348 D HN 0.735 nan 8.370 nan 0.000 0.447 349 G N -0.631 108.212 108.800 0.071 0.000 2.776 349 G HA2 0.318 4.278 3.960 0.001 0.000 0.209 349 G HA3 0.318 4.278 3.960 0.001 0.000 0.209 349 G C 0.680 175.611 174.900 0.051 0.000 1.145 349 G CA 0.718 45.856 45.100 0.062 0.000 0.791 349 G HN 0.629 nan 8.290 nan 0.000 0.530 350 G N -1.944 106.886 108.800 0.051 0.000 2.375 350 G HA2 0.487 4.448 3.960 0.001 0.000 0.663 350 G HA3 0.487 4.448 3.960 0.001 0.000 0.663 350 G C -0.291 174.640 174.900 0.053 0.000 1.391 350 G CA -0.366 44.762 45.100 0.046 0.000 0.949 350 G HN 1.113 nan 8.290 nan 0.000 0.646 351 A N 0.437 123.287 122.820 0.051 0.000 2.524 351 A HA 0.616 4.936 4.320 0.001 0.000 0.250 351 A C 0.860 178.487 177.584 0.072 0.000 1.078 351 A CA 0.380 52.454 52.037 0.061 0.000 0.761 351 A CB 0.056 19.090 19.000 0.057 0.000 1.012 351 A HN 1.263 nan 8.150 nan 0.000 0.500 352 L N 1.996 123.272 121.223 0.089 0.000 2.505 352 L HA 0.513 4.853 4.340 0.001 0.000 0.226 352 L C 1.176 178.125 176.870 0.132 0.000 1.211 352 L CA 0.785 55.692 54.840 0.111 0.000 0.828 352 L CB 0.526 42.657 42.059 0.121 0.000 1.331 352 L HN 0.902 nan 8.230 nan 0.000 0.513 353 S N -1.369 114.434 115.700 0.172 0.000 2.618 353 S HA 0.776 5.246 4.470 0.001 0.000 0.277 353 S C -1.314 173.474 174.600 0.313 0.000 1.138 353 S CA -0.699 57.611 58.200 0.183 0.000 0.844 353 S CB 1.758 65.010 63.200 0.086 0.000 1.127 353 S HN 0.554 nan 8.310 nan 0.000 0.474 354 Y N -0.645 119.753 120.300 0.164 0.000 2.534 354 Y HA 0.841 5.391 4.550 0.000 0.000 0.345 354 Y C -1.104 174.893 175.900 0.161 0.000 1.031 354 Y CA -0.910 57.296 58.100 0.176 0.000 1.022 354 Y CB 1.327 39.862 38.460 0.126 0.000 1.292 354 Y HN 0.672 nan 8.280 nan 0.000 0.459 355 E N 1.705 122.014 120.200 0.183 0.000 2.263 355 E HA 0.533 4.884 4.350 0.001 0.000 0.264 355 E C -1.389 175.336 176.600 0.208 0.000 0.923 355 E CA -1.040 55.400 56.400 0.066 0.000 0.802 355 E CB 2.285 32.038 29.700 0.089 0.000 1.228 355 E HN 0.573 nan 8.360 nan 0.000 0.417 356 S N 0.835 116.625 115.700 0.151 0.000 2.614 356 S HA 0.348 4.818 4.470 0.001 0.000 0.288 356 S C -1.195 173.470 174.600 0.109 0.000 1.137 356 S CA -0.710 57.602 58.200 0.186 0.000 0.992 356 S CB 0.938 64.320 63.200 0.303 0.000 1.026 356 S HN 0.539 nan 8.310 nan 0.000 0.486 357 E N 2.805 123.060 120.200 0.091 0.000 2.248 357 E HA 0.536 4.886 4.350 0.001 0.000 0.267 357 E C -1.008 175.646 176.600 0.090 0.000 0.877 357 E CA -0.634 55.812 56.400 0.076 0.000 0.759 357 E CB 1.629 31.367 29.700 0.063 0.000 1.182 357 E HN 0.414 nan 8.360 nan 0.000 0.418 358 T N 4.546 119.151 114.554 0.085 0.000 2.851 358 T HA 0.196 4.547 4.350 0.001 0.000 0.298 358 T C 0.851 175.620 174.700 0.115 0.000 0.977 358 T CA -0.192 61.970 62.100 0.103 0.000 1.126 358 T CB 0.583 69.493 68.868 0.070 0.000 0.916 358 T HN 0.537 nan 8.240 nan 0.000 0.529 359 L N 1.946 123.273 121.223 0.174 0.000 2.388 359 L HA 0.345 4.685 4.340 0.001 0.000 0.209 359 L C 0.863 177.842 176.870 0.181 0.000 1.061 359 L CA 0.303 55.265 54.840 0.204 0.000 0.834 359 L CB 0.281 42.518 42.059 0.297 0.000 1.029 359 L HN 0.542 nan 8.230 nan 0.000 0.473 360 Q N 0.028 119.919 119.800 0.152 0.000 2.378 360 Q HA 0.457 4.797 4.340 0.001 0.000 0.262 360 Q C -1.824 174.088 176.000 -0.147 0.000 0.978 360 Q CA -0.253 55.516 55.803 -0.057 0.000 0.918 360 Q CB 2.692 31.266 28.738 -0.273 0.000 1.415 360 Q HN -0.147 nan 8.270 nan 0.000 0.409 361 V N 1.877 121.678 119.914 -0.188 0.000 2.769 361 V HA 0.841 4.961 4.120 0.001 0.000 0.312 361 V C -0.662 175.183 176.094 -0.415 0.000 1.058 361 V CA -0.564 61.581 62.300 -0.258 0.000 0.952 361 V CB 1.976 33.706 31.823 -0.155 0.000 1.019 361 V HN 0.715 nan 8.190 nan 0.000 0.445 362 S N 3.944 119.298 115.700 -0.578 0.000 2.536 362 S HA 0.511 4.981 4.470 0.001 0.000 0.246 362 S C -2.960 171.331 174.600 -0.515 0.000 1.077 362 S CA -0.782 57.006 58.200 -0.685 0.000 1.091 362 S CB 1.534 63.893 63.200 -1.402 0.000 1.148 362 S HN 0.524 nan 8.310 nan 0.000 0.447 363 P HA 0.445 nan 4.420 nan 0.000 0.276 363 P C -0.545 176.664 177.300 -0.151 0.000 1.252 363 P CA -0.442 62.542 63.100 -0.193 0.000 0.802 363 P CB 0.517 32.134 31.700 -0.138 0.000 1.035 364 A N 1.061 123.825 122.820 -0.093 0.000 2.406 364 A HA 0.381 4.701 4.320 0.001 0.000 0.243 364 A C -0.341 177.214 177.584 -0.049 0.000 1.082 364 A CA 0.007 52.022 52.037 -0.037 0.000 0.786 364 A CB -0.148 18.852 19.000 -0.001 0.000 1.029 364 A HN 0.363 nan 8.150 nan 0.000 0.495 365 V N 2.385 122.261 119.914 -0.064 0.000 2.487 365 V HA 0.251 4.371 4.120 0.001 0.000 0.298 365 V C -0.579 175.330 176.094 -0.309 0.000 1.028 365 V CA -0.675 61.510 62.300 -0.191 0.000 0.860 365 V CB 1.617 33.275 31.823 -0.275 0.000 0.991 365 V HN 0.944 nan 8.190 nan 0.000 0.427 366 N N 4.659 123.219 118.700 -0.234 0.000 2.437 366 N HA 0.586 5.327 4.740 0.001 0.000 0.259 366 N C -0.753 174.598 175.510 -0.264 0.000 0.983 366 N CA -0.479 52.417 53.050 -0.258 0.000 0.937 366 N CB 0.948 39.394 38.487 -0.069 0.000 1.122 366 N HN 0.411 nan 8.380 nan 0.000 0.499 367 F N 0.798 120.657 119.950 -0.150 0.000 2.440 367 F HA 0.085 4.612 4.527 0.001 0.000 0.323 367 F C 1.535 177.280 175.800 -0.092 0.000 1.192 367 F CA -0.233 57.693 58.000 -0.123 0.000 1.252 367 F CB 0.288 39.186 39.000 -0.170 0.000 1.214 367 F HN 0.410 nan 8.300 nan 0.000 0.578 368 H N 2.301 121.428 119.070 0.095 0.000 2.848 368 H HA -0.016 4.540 4.556 0.001 0.000 0.317 368 H C 1.288 176.608 175.328 -0.013 0.000 1.046 368 H CA 0.374 56.426 56.048 0.007 0.000 1.470 368 H CB 0.679 30.422 29.762 -0.033 0.000 1.483 368 H HN 0.833 nan 8.280 nan 0.000 0.548 369 E N 3.516 123.760 120.200 0.073 0.000 2.187 369 E HA -0.155 4.195 4.350 0.001 0.000 0.199 369 E C 0.794 177.483 176.600 0.149 0.000 1.004 369 E CA 1.544 57.992 56.400 0.081 0.000 0.813 369 E CB 0.200 29.901 29.700 0.001 0.000 0.736 369 E HN 0.423 nan 8.360 nan 0.000 0.468 370 V N 0.459 120.560 119.914 0.312 0.000 2.446 370 V HA -0.204 3.916 4.120 0.001 0.000 0.244 370 V C 2.539 178.669 176.094 0.061 0.000 1.039 370 V CA 1.398 63.752 62.300 0.091 0.000 1.045 370 V CB -0.205 31.625 31.823 0.013 0.000 0.681 370 V HN 0.528 nan 8.190 nan 0.000 0.459 371 C N 0.046 119.374 119.300 0.047 0.000 2.435 371 C HA -0.013 4.448 4.460 0.001 0.000 0.279 371 C C 2.556 177.628 174.990 0.137 0.000 1.321 371 C CA 0.408 59.464 59.018 0.063 0.000 1.752 371 C CB -0.927 26.600 27.740 -0.356 0.000 1.959 371 C HN 0.514 nan 8.230 nan 0.000 0.500 372 I N 0.955 121.564 120.570 0.065 0.000 2.252 372 I HA -0.153 4.017 4.170 0.001 0.000 0.245 372 I C 2.493 178.649 176.117 0.064 0.000 1.102 372 I CA 1.332 62.659 61.300 0.045 0.000 1.385 372 I CB -0.494 37.517 38.000 0.018 0.000 1.064 372 I HN 0.227 nan 8.210 nan 0.000 0.414 373 E N 0.141 120.378 120.200 0.062 0.000 2.268 373 E HA -0.147 4.204 4.350 0.001 0.000 0.195 373 E C 2.286 178.923 176.600 0.062 0.000 0.995 373 E CA 0.841 57.275 56.400 0.056 0.000 0.836 373 E CB -0.421 29.293 29.700 0.024 0.000 0.763 373 E HN 0.520 nan 8.360 nan 0.000 0.491 374 C N -0.213 119.136 119.300 0.082 0.000 2.475 374 C HA 0.002 4.462 4.460 0.001 0.000 0.279 374 C C 2.760 177.774 174.990 0.040 0.000 1.322 374 C CA 0.124 59.191 59.018 0.081 0.000 1.734 374 C CB -0.650 27.187 27.740 0.161 0.000 2.005 374 C HN 0.188 nan 8.230 nan 0.000 0.495 375 V N 0.875 120.829 119.914 0.067 0.000 2.283 375 V HA -0.172 3.949 4.120 0.001 0.000 0.243 375 V C 2.692 178.785 176.094 -0.002 0.000 1.039 375 V CA 2.392 64.699 62.300 0.012 0.000 1.016 375 V CB -1.010 30.829 31.823 0.026 0.000 0.650 375 V HN 0.672 nan 8.190 nan 0.000 0.449 376 S N 0.266 115.992 115.700 0.043 0.000 2.359 376 S HA -0.343 4.128 4.470 0.001 0.000 0.223 376 S C 2.169 176.891 174.600 0.204 0.000 1.039 376 S CA 2.260 60.530 58.200 0.117 0.000 1.042 376 S CB -0.373 62.955 63.200 0.213 0.000 0.915 376 S HN 0.429 nan 8.310 nan 0.000 0.439 377 R N 1.162 121.757 120.500 0.158 0.000 2.091 377 R HA -0.004 4.336 4.340 0.001 0.000 0.238 377 R C 2.843 179.205 176.300 0.103 0.000 1.136 377 R CA 1.742 57.930 56.100 0.147 0.000 0.959 377 R CB -1.274 29.078 30.300 0.086 0.000 0.856 377 R HN 0.596 nan 8.270 nan 0.000 0.437 378 S N -0.481 115.241 115.700 0.037 0.000 2.356 378 S HA -0.131 4.339 4.470 0.001 0.000 0.223 378 S C 2.011 176.620 174.600 0.014 0.000 1.032 378 S CA 1.355 59.551 58.200 -0.005 0.000 1.005 378 S CB -0.441 62.726 63.200 -0.056 0.000 0.867 378 S HN 0.420 nan 8.310 nan 0.000 0.449 379 A N 0.712 123.522 122.820 -0.017 0.000 1.851 379 A HA 0.019 4.340 4.320 0.001 0.000 0.216 379 A C 1.953 179.537 177.584 0.000 0.000 1.195 379 A CA 1.723 53.737 52.037 -0.038 0.000 0.622 379 A CB -1.328 17.483 19.000 -0.315 0.000 0.831 379 A HN 0.659 nan 8.150 nan 0.000 0.444 380 F N -0.059 119.950 119.950 0.099 0.000 2.451 380 F HA 0.003 4.530 4.527 0.001 0.000 0.299 380 F C 2.540 178.362 175.800 0.038 0.000 1.101 380 F CA 0.557 58.603 58.000 0.076 0.000 1.436 380 F CB -0.001 39.026 39.000 0.046 0.000 1.074 380 F HN 0.279 nan 8.300 nan 0.000 0.553 381 A N -0.538 122.374 122.820 0.153 0.000 2.067 381 A HA -0.083 4.237 4.320 0.001 0.000 0.217 381 A C 1.892 179.445 177.584 -0.052 0.000 1.156 381 A CA 0.962 53.028 52.037 0.049 0.000 0.683 381 A CB -0.216 18.796 19.000 0.021 0.000 0.808 381 A HN 0.454 nan 8.150 nan 0.000 0.455 382 Q N -2.339 117.386 119.800 -0.125 0.000 2.245 382 Q HA 0.357 4.697 4.340 0.001 0.000 0.236 382 Q C -0.951 174.577 176.000 -0.787 0.000 0.842 382 Q CA -0.052 55.480 55.803 -0.453 0.000 0.945 382 Q CB 0.875 29.258 28.738 -0.591 0.000 1.122 382 Q HN 0.584 nan 8.270 nan 0.000 0.506 383 F N 0.469 120.407 119.950 -0.020 0.000 2.629 383 F HA 0.408 4.935 4.527 0.001 0.000 0.316 383 F C -0.193 175.629 175.800 0.037 0.000 1.081 383 F CA -1.354 56.637 58.000 -0.015 0.000 0.954 383 F CB 1.307 40.269 39.000 -0.063 0.000 1.337 383 F HN -0.367 nan 8.300 nan 0.000 0.474 384 K N 0.371 120.920 120.400 0.247 0.000 2.168 384 K HA 0.201 4.521 4.320 0.001 0.000 0.258 384 K C 0.784 177.516 176.600 0.220 0.000 1.010 384 K CA -0.644 55.755 56.287 0.186 0.000 0.929 384 K CB 0.852 33.429 32.500 0.129 0.000 0.998 384 K HN 0.534 nan 8.250 nan 0.000 0.479 385 K N 1.226 121.764 120.400 0.231 0.000 2.074 385 K HA -0.206 4.114 4.320 0.001 0.000 0.209 385 K C 0.846 177.584 176.600 0.230 0.000 1.048 385 K CA 2.174 58.641 56.287 0.299 0.000 0.926 385 K CB 0.018 32.620 32.500 0.171 0.000 0.713 385 K HN 0.725 nan 8.250 nan 0.000 0.444 386 D N -0.689 119.793 120.400 0.136 0.000 2.342 386 D HA -0.063 4.577 4.640 0.001 0.000 0.221 386 D C 0.912 177.241 176.300 0.048 0.000 1.101 386 D CA 0.206 54.258 54.000 0.088 0.000 0.837 386 D CB 0.285 41.126 40.800 0.067 0.000 0.938 386 D HN 0.188 nan 8.370 nan 0.000 0.508 387 Q N 0.105 119.929 119.800 0.039 0.000 2.408 387 Q HA 0.155 4.496 4.340 0.001 0.000 0.205 387 Q C 0.138 176.062 176.000 -0.127 0.000 0.919 387 Q CA 0.281 56.061 55.803 -0.040 0.000 0.932 387 Q CB 1.665 30.389 28.738 -0.023 0.000 1.058 387 Q HN 0.210 nan 8.270 nan 0.000 0.517 388 V N 1.048 120.904 119.914 -0.096 0.000 2.680 388 V HA 0.510 4.630 4.120 0.001 0.000 0.309 388 V C -0.264 175.789 176.094 -0.068 0.000 1.052 388 V CA -0.894 61.296 62.300 -0.185 0.000 0.908 388 V CB 2.562 34.123 31.823 -0.437 0.000 1.001 388 V HN 0.044 nan 8.190 nan 0.000 0.431 389 R N 2.545 123.004 120.500 -0.069 0.000 2.651 389 R HA 0.484 4.824 4.340 0.001 0.000 0.278 389 R C -1.036 175.259 176.300 -0.009 0.000 1.010 389 R CA -0.649 55.452 56.100 0.001 0.000 0.896 389 R CB 2.195 32.506 30.300 0.018 0.000 1.211 389 R HN 0.824 nan 8.270 nan 0.000 0.456 390 Q N 2.756 122.571 119.800 0.025 0.000 2.306 390 Q HA 0.449 4.789 4.340 0.001 0.000 0.241 390 Q C -0.395 175.613 176.000 0.014 0.000 0.948 390 Q CA -0.160 55.639 55.803 -0.006 0.000 0.886 390 Q CB 1.612 30.358 28.738 0.013 0.000 1.227 390 Q HN 0.541 nan 8.270 nan 0.000 0.457 391 I N 0.042 120.579 120.570 -0.055 0.000 2.882 391 I HA 0.288 4.459 4.170 0.001 0.000 0.298 391 I C -1.992 174.073 176.117 -0.086 0.000 1.462 391 I CA -0.710 60.613 61.300 0.038 0.000 1.000 391 I CB 1.568 39.620 38.000 0.087 0.000 1.340 391 I HN 0.629 nan 8.210 nan 0.000 0.462 392 W N 4.377 125.690 121.300 0.022 0.000 2.570 392 W HA 0.597 5.257 4.660 0.001 0.000 0.337 392 W C 0.338 176.923 176.519 0.110 0.000 1.067 392 W CA -0.370 56.984 57.345 0.015 0.000 1.229 392 W CB 1.731 31.192 29.460 0.001 0.000 1.355 392 W HN 0.346 nan 8.180 nan 0.000 0.555 393 S N 0.906 116.802 115.700 0.327 0.000 2.565 393 S HA 0.400 4.870 4.470 0.001 0.000 0.276 393 S C 1.071 175.894 174.600 0.371 0.000 1.326 393 S CA 0.200 58.670 58.200 0.452 0.000 1.045 393 S CB 0.768 64.262 63.200 0.490 0.000 0.918 393 S HN 0.709 nan 8.310 nan 0.000 0.505 394 G N 2.434 111.424 108.800 0.317 0.000 2.662 394 G HA2 0.465 4.425 3.960 0.001 0.000 0.212 394 G HA3 0.465 4.425 3.960 0.001 0.000 0.212 394 G C 0.279 175.256 174.900 0.128 0.000 1.141 394 G CA 0.428 45.640 45.100 0.187 0.000 0.797 394 G HN 0.967 nan 8.290 nan 0.000 0.531 395 A N -0.159 122.750 122.820 0.149 0.000 2.320 395 A HA 0.767 5.088 4.320 0.001 0.000 0.334 395 A C 0.504 178.051 177.584 -0.061 0.000 1.147 395 A CA 0.032 52.060 52.037 -0.015 0.000 0.820 395 A CB 1.085 20.008 19.000 -0.127 0.000 1.218 395 A HN 0.488 nan 8.150 nan 0.000 0.482 396 G N -0.328 108.384 108.800 -0.147 0.000 2.476 396 G HA2 0.541 4.501 3.960 0.001 0.000 0.269 396 G HA3 0.541 4.501 3.960 0.001 0.000 0.269 396 G C -0.535 174.085 174.900 -0.466 0.000 1.195 396 G CA -0.050 44.980 45.100 -0.117 0.000 0.843 396 G HN 0.854 nan 8.290 nan 0.000 0.545 397 H N -0.819 118.297 119.070 0.077 0.000 2.941 397 H HA 0.282 4.838 4.556 0.001 0.000 0.344 397 H C 0.171 175.510 175.328 0.018 0.000 1.235 397 H CA -0.619 55.461 56.048 0.053 0.000 1.149 397 H CB 1.784 31.584 29.762 0.063 0.000 1.885 397 H HN 0.464 nan 8.280 nan 0.000 0.558 398 D N -0.539 119.934 120.400 0.122 0.000 2.218 398 D HA -0.124 4.516 4.640 0.001 0.000 0.204 398 D C 1.421 177.603 176.300 -0.197 0.000 0.976 398 D CA 1.372 55.255 54.000 -0.195 0.000 0.853 398 D CB 0.019 40.552 40.800 -0.445 0.000 0.939 398 D HN 0.263 nan 8.370 nan 0.000 0.481 399 S N -0.231 115.516 115.700 0.077 0.000 2.419 399 S HA -0.193 4.277 4.470 0.001 0.000 0.235 399 S C 2.004 176.741 174.600 0.227 0.000 1.019 399 S CA 0.544 58.826 58.200 0.136 0.000 0.982 399 S CB -0.407 62.802 63.200 0.015 0.000 0.789 399 S HN 0.481 nan 8.310 nan 0.000 0.490 400 C N 1.367 120.803 119.300 0.226 0.000 2.413 400 C HA -0.068 4.392 4.460 0.001 0.000 0.277 400 C C 2.746 177.781 174.990 0.075 0.000 1.265 400 C CA 0.552 59.670 59.018 0.167 0.000 1.752 400 C CB -1.084 26.721 27.740 0.108 0.000 1.998 400 C HN 0.529 nan 8.230 nan 0.000 0.489 401 Q N 0.198 119.994 119.800 -0.005 0.000 2.269 401 Q HA -0.055 4.285 4.340 0.001 0.000 0.201 401 Q C 2.338 178.400 176.000 0.103 0.000 0.946 401 Q CA 1.939 57.748 55.803 0.010 0.000 0.877 401 Q CB -0.835 27.861 28.738 -0.069 0.000 0.963 401 Q HN 0.887 nan 8.270 nan 0.000 0.472 402 T N -2.376 112.202 114.554 0.040 0.000 2.976 402 T HA 0.180 4.530 4.350 0.001 0.000 0.257 402 T C 1.995 176.810 174.700 0.191 0.000 1.051 402 T CA 0.799 63.002 62.100 0.172 0.000 1.141 402 T CB -0.195 68.649 68.868 -0.039 0.000 0.881 402 T HN 0.134 nan 8.240 nan 0.000 0.461 403 A N 3.474 126.394 122.820 0.166 0.000 1.927 403 A HA -0.049 4.272 4.320 0.001 0.000 0.220 403 A C 0.689 178.306 177.584 0.054 0.000 1.185 403 A CA 1.758 53.900 52.037 0.175 0.000 0.639 403 A CB -1.766 17.415 19.000 0.301 0.000 0.820 403 A HN 0.607 nan 8.150 nan 0.000 0.451 404 P HA -0.097 nan 4.420 nan 0.000 0.230 404 P C 0.636 177.669 177.300 -0.444 0.000 1.158 404 P CA 1.186 64.125 63.100 -0.268 0.000 0.769 404 P CB -0.179 31.280 31.700 -0.402 0.000 0.807 405 H N -0.765 118.242 119.070 -0.105 0.000 2.545 405 H HA 0.182 4.738 4.556 0.001 0.000 0.283 405 H C 1.069 176.392 175.328 -0.009 0.000 0.997 405 H CA 0.625 56.557 56.048 -0.194 0.000 1.269 405 H CB 0.850 30.304 29.762 -0.513 0.000 1.451 405 H HN 0.021 nan 8.280 nan 0.000 0.508 406 V N -1.315 118.713 119.914 0.189 0.000 3.040 406 V HA 0.492 4.612 4.120 0.001 0.000 0.312 406 V C -2.911 173.243 176.094 0.099 0.000 1.115 406 V CA -2.934 59.465 62.300 0.165 0.000 0.998 406 V CB 2.522 34.481 31.823 0.227 0.000 1.042 406 V HN -0.190 nan 8.190 nan 0.000 0.433 407 P HA 0.221 nan 4.420 nan 0.000 0.258 407 P C -0.236 176.896 177.300 -0.281 0.000 1.187 407 P CA 0.920 63.901 63.100 -0.198 0.000 0.767 407 P CB 0.030 31.358 31.700 -0.620 0.000 0.770 408 T N 0.806 115.255 114.554 -0.175 0.000 2.906 408 T HA 0.743 5.093 4.350 0.001 0.000 0.295 408 T C -0.970 173.414 174.700 -0.526 0.000 1.061 408 T CA -0.621 61.254 62.100 -0.376 0.000 1.000 408 T CB 1.548 70.333 68.868 -0.137 0.000 1.103 408 T HN 0.197 nan 8.240 nan 0.000 0.486 409 S N 2.174 117.382 115.700 -0.819 0.000 2.567 409 S HA 0.703 5.173 4.470 0.001 0.000 0.270 409 S C -1.601 172.583 174.600 -0.692 0.000 1.152 409 S CA -0.827 56.911 58.200 -0.770 0.000 0.835 409 S CB 1.425 64.401 63.200 -0.373 0.000 1.115 409 S HN 0.878 nan 8.310 nan 0.000 0.459 410 M N 2.516 121.759 119.600 -0.596 0.000 2.644 410 M HA 0.621 5.101 4.480 0.001 0.000 0.304 410 M C -1.385 174.753 176.300 -0.270 0.000 1.215 410 M CA -0.687 54.368 55.300 -0.408 0.000 0.871 410 M CB 2.135 34.447 32.600 -0.480 0.000 1.740 410 M HN 0.589 nan 8.290 nan 0.000 0.464 411 I N 1.184 121.667 120.570 -0.145 0.000 2.478 411 I HA 0.417 4.587 4.170 0.001 0.000 0.287 411 I C -1.302 174.896 176.117 0.137 0.000 1.042 411 I CA -0.204 61.058 61.300 -0.063 0.000 1.067 411 I CB 1.650 39.632 38.000 -0.028 0.000 1.233 411 I HN 0.529 nan 8.210 nan 0.000 0.431 412 F N 6.339 126.251 119.950 -0.064 0.000 2.422 412 F HA 0.620 5.148 4.527 0.000 0.000 0.333 412 F C 0.278 176.032 175.800 -0.076 0.000 1.095 412 F CA -1.058 56.915 58.000 -0.044 0.000 1.038 412 F CB 1.759 40.742 39.000 -0.027 0.000 1.156 412 F HN 0.302 nan 8.300 nan 0.000 0.483 413 I N 1.042 121.655 120.570 0.071 0.000 2.797 413 I HA 0.581 4.751 4.170 0.001 0.000 0.307 413 I C -2.895 173.156 176.117 -0.110 0.000 1.033 413 I CA -3.121 58.146 61.300 -0.055 0.000 1.071 413 I CB 1.418 39.358 38.000 -0.101 0.000 1.255 413 I HN 0.209 nan 8.210 nan 0.000 0.445 414 P HA 0.106 nan 4.420 nan 0.000 0.267 414 P C -0.967 176.243 177.300 -0.149 0.000 1.200 414 P CA 0.017 63.045 63.100 -0.119 0.000 0.772 414 P CB 0.571 32.207 31.700 -0.107 0.000 0.855 415 S N 1.909 117.541 115.700 -0.112 0.000 2.498 415 S HA 0.237 4.707 4.470 0.001 0.000 0.317 415 S C -0.267 174.319 174.600 -0.024 0.000 1.090 415 S CA -0.886 57.263 58.200 -0.084 0.000 1.089 415 S CB 0.740 63.900 63.200 -0.068 0.000 0.997 415 S HN 0.328 nan 8.310 nan 0.000 0.470 416 K N 2.015 122.431 120.400 0.027 0.000 2.491 416 K HA -0.078 4.242 4.320 0.001 0.000 0.279 416 K C -0.460 176.177 176.600 0.062 0.000 1.026 416 K CA 0.735 57.080 56.287 0.097 0.000 1.070 416 K CB -0.016 32.637 32.500 0.255 0.000 0.887 416 K HN 0.640 nan 8.250 nan 0.000 0.481 417 D N 2.825 123.245 120.400 0.034 0.000 3.018 417 D HA -0.220 4.420 4.640 0.001 0.000 0.224 417 D C 0.725 177.023 176.300 -0.003 0.000 1.185 417 D CA 1.600 55.604 54.000 0.008 0.000 0.858 417 D CB -1.335 39.463 40.800 -0.003 0.000 1.112 417 D HN 0.968 nan 8.370 nan 0.000 0.415 418 G N -1.669 107.128 108.800 -0.004 0.000 2.196 418 G HA2 -0.335 3.625 3.960 0.001 0.000 0.268 418 G HA3 -0.335 3.625 3.960 0.001 0.000 0.268 418 G C 0.218 175.109 174.900 -0.015 0.000 0.975 418 G CA 0.346 45.435 45.100 -0.019 0.000 0.648 418 G HN 0.520 nan 8.290 nan 0.000 0.538 419 L N 1.311 122.540 121.223 0.010 0.000 2.410 419 L HA 0.758 5.099 4.340 0.001 0.000 0.273 419 L C 0.481 177.381 176.870 0.051 0.000 1.152 419 L CA 0.498 55.354 54.840 0.027 0.000 0.855 419 L CB 1.185 43.275 42.059 0.052 0.000 1.129 419 L HN 0.288 nan 8.230 nan 0.000 0.463 420 S N 2.802 118.527 115.700 0.042 0.000 2.671 420 S HA 0.470 4.940 4.470 0.001 0.000 0.277 420 S C -0.655 174.042 174.600 0.161 0.000 1.165 420 S CA -0.505 57.752 58.200 0.096 0.000 0.822 420 S CB 0.588 63.820 63.200 0.055 0.000 1.150 420 S HN 0.821 nan 8.310 nan 0.000 0.479 421 H N 0.300 119.404 119.070 0.056 0.000 2.756 421 H HA -0.156 4.401 4.556 0.001 0.000 0.315 421 H C -0.479 174.836 175.328 -0.022 0.000 1.210 421 H CA 0.865 56.928 56.048 0.024 0.000 1.150 421 H CB -1.098 28.669 29.762 0.009 0.000 1.463 421 H HN 0.434 nan 8.280 nan 0.000 0.427 422 N N -0.688 118.068 118.700 0.093 0.000 2.504 422 N HA 0.040 4.781 4.740 0.001 0.000 0.268 422 N C 0.385 175.941 175.510 0.075 0.000 1.184 422 N CA -0.646 52.411 53.050 0.012 0.000 0.875 422 N CB 0.709 39.241 38.487 0.074 0.000 1.630 422 N HN 0.091 nan 8.380 nan 0.000 0.486 423 Y N 0.871 121.191 120.300 0.033 0.000 2.193 423 Y HA -0.200 4.350 4.550 0.001 0.000 0.285 423 Y C 0.768 176.624 175.900 -0.073 0.000 1.166 423 Y CA 1.137 59.208 58.100 -0.048 0.000 1.181 423 Y CB 0.026 38.358 38.460 -0.213 0.000 0.976 423 Y HN 0.555 nan 8.280 nan 0.000 0.520 424 Y N 0.530 120.873 120.300 0.072 0.000 2.471 424 Y HA 0.019 4.569 4.550 0.001 0.000 0.286 424 Y C 0.891 176.880 175.900 0.149 0.000 1.188 424 Y CA -0.329 57.726 58.100 -0.075 0.000 1.286 424 Y CB -0.310 37.980 38.460 -0.283 0.000 1.072 424 Y HN 0.053 nan 8.280 nan 0.000 0.517 425 E N 0.963 121.355 120.200 0.319 0.000 2.465 425 E HA -0.097 4.253 4.350 0.001 0.000 0.260 425 E C -1.351 175.555 176.600 0.509 0.000 0.980 425 E CA 0.156 56.752 56.400 0.326 0.000 0.927 425 E CB 0.337 30.198 29.700 0.269 0.000 0.934 425 E HN 0.310 nan 8.360 nan 0.000 0.459 426 Y N 2.432 122.876 120.300 0.241 0.000 2.470 426 Y HA 0.376 4.926 4.550 0.001 0.000 0.341 426 Y C -1.432 174.382 175.900 -0.145 0.000 1.021 426 Y CA -0.638 57.569 58.100 0.180 0.000 1.025 426 Y CB 2.107 40.692 38.460 0.209 0.000 1.266 426 Y HN 0.424 nan 8.280 nan 0.000 0.448 427 S N 3.034 117.915 115.700 -1.366 0.000 2.571 427 S HA 0.478 4.948 4.470 0.001 0.000 0.284 427 S C -1.072 172.597 174.600 -1.551 0.000 1.128 427 S CA -0.846 56.582 58.200 -1.287 0.000 0.970 427 S CB 1.358 63.975 63.200 -0.971 0.000 1.039 427 S HN 0.792 nan 8.310 nan 0.000 0.485 428 S N 2.939 118.024 115.700 -1.024 0.000 2.592 428 S HA 0.361 4.831 4.470 0.001 0.000 0.271 428 S C -2.007 172.382 174.600 -0.351 0.000 1.326 428 S CA -0.905 56.942 58.200 -0.587 0.000 1.024 428 S CB 0.475 63.557 63.200 -0.195 0.000 0.921 428 S HN 0.336 nan 8.310 nan 0.000 0.527 429 P HA -0.165 nan 4.420 nan 0.000 0.216 429 P C 1.338 178.590 177.300 -0.080 0.000 1.154 429 P CA 1.428 64.465 63.100 -0.105 0.000 0.865 429 P CB 0.082 31.753 31.700 -0.048 0.000 0.789 430 E N -0.670 119.490 120.200 -0.067 0.000 2.107 430 E HA -0.170 4.181 4.350 0.001 0.000 0.191 430 E C 1.894 178.467 176.600 -0.046 0.000 0.982 430 E CA 0.776 57.157 56.400 -0.030 0.000 0.809 430 E CB -0.097 29.600 29.700 -0.006 0.000 0.756 430 E HN 0.320 nan 8.360 nan 0.000 0.459 431 E N 0.465 120.597 120.200 -0.113 0.000 2.058 431 E HA -0.203 4.147 4.350 0.001 0.000 0.194 431 E C 2.097 178.626 176.600 -0.118 0.000 0.997 431 E CA 1.148 57.465 56.400 -0.138 0.000 0.801 431 E CB -0.066 29.504 29.700 -0.216 0.000 0.746 431 E HN 0.256 nan 8.360 nan 0.000 0.450 432 I N 0.837 121.320 120.570 -0.146 0.000 2.127 432 I HA -0.310 3.860 4.170 0.001 0.000 0.241 432 I C 2.548 178.678 176.117 0.023 0.000 1.075 432 I CA 1.366 62.611 61.300 -0.091 0.000 1.334 432 I CB -0.180 37.744 38.000 -0.126 0.000 1.040 432 I HN 0.099 nan 8.210 nan 0.000 0.405 433 E N 1.316 121.540 120.200 0.039 0.000 2.048 433 E HA -0.288 4.063 4.350 0.001 0.000 0.202 433 E C 1.960 178.667 176.600 0.178 0.000 1.021 433 E CA 2.049 58.528 56.400 0.132 0.000 0.825 433 E CB -0.098 29.656 29.700 0.090 0.000 0.756 433 E HN 0.368 nan 8.360 nan 0.000 0.454 434 N N -0.242 118.541 118.700 0.139 0.000 2.094 434 N HA -0.145 4.595 4.740 0.001 0.000 0.191 434 N C 1.804 177.387 175.510 0.121 0.000 1.023 434 N CA 1.420 54.601 53.050 0.218 0.000 0.857 434 N CB -0.853 37.691 38.487 0.093 0.000 1.013 434 N HN 0.367 nan 8.380 nan 0.000 0.426 435 G N 0.322 109.146 108.800 0.040 0.000 2.418 435 G HA2 -0.241 3.720 3.960 0.001 0.000 0.217 435 G HA3 -0.241 3.720 3.960 0.001 0.000 0.217 435 G C 1.396 176.340 174.900 0.073 0.000 1.158 435 G CA 0.388 45.501 45.100 0.022 0.000 0.771 435 G HN 0.317 nan 8.290 nan 0.000 0.545 436 F N 1.715 121.650 119.950 -0.026 0.000 2.134 436 F HA 0.031 4.558 4.527 0.001 0.000 0.299 436 F C 2.569 178.347 175.800 -0.036 0.000 1.097 436 F CA 1.722 59.699 58.000 -0.038 0.000 1.264 436 F CB -0.257 38.718 39.000 -0.041 0.000 1.001 436 F HN 0.056 nan 8.300 nan 0.000 0.479 437 K N -0.037 120.229 120.400 -0.223 0.000 2.103 437 K HA -0.141 4.179 4.320 0.001 0.000 0.207 437 K C 2.034 178.502 176.600 -0.219 0.000 1.048 437 K CA 1.646 57.747 56.287 -0.309 0.000 0.930 437 K CB -0.460 31.994 32.500 -0.077 0.000 0.716 437 K HN 0.230 nan 8.250 nan 0.000 0.444 438 V N 1.108 120.981 119.914 -0.069 0.000 2.323 438 V HA -0.212 3.909 4.120 0.001 0.000 0.244 438 V C 2.079 178.079 176.094 -0.156 0.000 1.041 438 V CA 1.291 63.553 62.300 -0.063 0.000 1.025 438 V CB -0.369 31.446 31.823 -0.013 0.000 0.656 438 V HN 0.251 nan 8.190 nan 0.000 0.451 439 L N -0.025 121.100 121.223 -0.163 0.000 1.990 439 L HA -0.206 4.135 4.340 0.001 0.000 0.213 439 L C 2.286 178.987 176.870 -0.281 0.000 1.072 439 L CA 2.214 56.944 54.840 -0.184 0.000 0.755 439 L CB -0.825 41.185 42.059 -0.081 0.000 0.889 439 L HN 0.313 nan 8.230 nan 0.000 0.432 440 L N -0.390 120.583 121.223 -0.417 0.000 1.963 440 L HA -0.313 4.028 4.340 0.001 0.000 0.220 440 L C 2.614 179.308 176.870 -0.294 0.000 1.076 440 L CA 2.549 57.116 54.840 -0.455 0.000 0.772 440 L CB -1.073 40.538 42.059 -0.746 0.000 0.892 440 L HN 0.562 nan 8.230 nan 0.000 0.435 441 Q N -0.812 118.825 119.800 -0.271 0.000 2.170 441 Q HA -0.133 4.207 4.340 0.001 0.000 0.203 441 Q C 2.079 177.981 176.000 -0.164 0.000 0.976 441 Q CA 1.889 57.582 55.803 -0.183 0.000 0.858 441 Q CB -0.351 28.293 28.738 -0.156 0.000 0.907 441 Q HN 0.674 nan 8.270 nan 0.000 0.433 442 A N 0.289 122.973 122.820 -0.227 0.000 1.883 442 A HA -0.191 4.129 4.320 0.001 0.000 0.217 442 A C 2.054 179.382 177.584 -0.426 0.000 1.186 442 A CA 1.620 53.463 52.037 -0.323 0.000 0.624 442 A CB -0.773 17.966 19.000 -0.435 0.000 0.822 442 A HN 0.489 nan 8.150 nan 0.000 0.444 443 I N -0.357 119.966 120.570 -0.413 0.000 2.179 443 I HA -0.269 3.901 4.170 0.001 0.000 0.242 443 I C 2.306 178.439 176.117 0.026 0.000 1.088 443 I CA 1.452 62.611 61.300 -0.235 0.000 1.357 443 I CB -0.365 37.585 38.000 -0.083 0.000 1.051 443 I HN 0.305 nan 8.210 nan 0.000 0.409 444 I N 0.790 121.382 120.570 0.038 0.000 2.264 444 I HA -0.329 3.841 4.170 0.001 0.000 0.248 444 I C 2.083 178.250 176.117 0.084 0.000 1.111 444 I CA 1.795 63.145 61.300 0.084 0.000 1.382 444 I CB -0.630 37.352 38.000 -0.031 0.000 1.060 444 I HN 0.331 nan 8.210 nan 0.000 0.418 445 N N -0.194 118.526 118.700 0.034 0.000 2.106 445 N HA -0.241 4.499 4.740 0.001 0.000 0.188 445 N C 2.011 177.605 175.510 0.140 0.000 1.029 445 N CA 1.085 54.177 53.050 0.069 0.000 0.848 445 N CB -0.225 38.282 38.487 0.034 0.000 1.007 445 N HN 0.257 nan 8.380 nan 0.000 0.423 446 Y N 2.091 122.403 120.300 0.020 0.000 2.181 446 Y HA -0.239 4.311 4.550 0.001 0.000 0.288 446 Y C 2.064 178.077 175.900 0.189 0.000 1.146 446 Y CA 1.596 59.777 58.100 0.135 0.000 1.164 446 Y CB -0.443 38.120 38.460 0.173 0.000 0.982 446 Y HN 0.053 nan 8.280 nan 0.000 0.515 447 D N -0.456 120.044 120.400 0.167 0.000 2.104 447 D HA -0.225 4.416 4.640 0.001 0.000 0.194 447 D C 1.821 178.170 176.300 0.083 0.000 0.994 447 D CA 1.819 55.899 54.000 0.133 0.000 0.830 447 D CB -0.273 40.661 40.800 0.223 0.000 0.959 447 D HN 0.268 nan 8.370 nan 0.000 0.452 448 N N -0.896 117.869 118.700 0.107 0.000 2.223 448 N HA -0.184 4.556 4.740 0.001 0.000 0.185 448 N C 1.572 177.117 175.510 0.059 0.000 1.016 448 N CA 0.594 53.701 53.050 0.095 0.000 0.863 448 N CB -0.505 38.048 38.487 0.109 0.000 0.983 448 N HN 0.422 nan 8.380 nan 0.000 0.429 449 Y N 2.118 122.361 120.300 -0.094 0.000 2.128 449 Y HA -0.167 4.383 4.550 0.001 0.000 0.284 449 Y C 2.397 178.179 175.900 -0.196 0.000 1.154 449 Y CA 1.439 59.455 58.100 -0.140 0.000 1.149 449 Y CB 0.077 38.429 38.460 -0.180 0.000 0.976 449 Y HN -0.039 nan 8.280 nan 0.000 0.505 450 R N -0.439 119.867 120.500 -0.323 0.000 2.113 450 R HA -0.235 4.106 4.340 0.001 0.000 0.244 450 R C 2.128 178.277 176.300 -0.253 0.000 1.142 450 R CA 1.857 57.716 56.100 -0.401 0.000 0.953 450 R CB -1.113 28.884 30.300 -0.505 0.000 0.860 450 R HN 0.317 nan 8.270 nan 0.000 0.438 451 V N 1.647 121.517 119.914 -0.073 0.000 2.255 451 V HA -0.257 3.863 4.120 0.001 0.000 0.247 451 V C 2.284 178.320 176.094 -0.096 0.000 1.051 451 V CA 2.109 64.414 62.300 0.008 0.000 1.018 451 V CB -0.404 31.449 31.823 0.049 0.000 0.641 451 V HN 0.284 nan 8.190 nan 0.000 0.445 452 I N -1.176 119.288 120.570 -0.178 0.000 2.676 452 I HA -0.063 4.107 4.170 0.001 0.000 0.259 452 I C 1.735 177.669 176.117 -0.306 0.000 1.194 452 I CA 0.717 61.893 61.300 -0.207 0.000 1.473 452 I CB -0.398 37.504 38.000 -0.164 0.000 1.096 452 I HN 0.165 nan 8.210 nan 0.000 0.443 453 R N 0.000 120.213 120.500 -0.479 0.000 2.786 453 R HA 0.000 4.340 4.340 0.001 0.000 0.208 453 R CA 0.000 55.873 56.100 -0.378 0.000 0.921 453 R CB 0.000 30.024 30.300 -0.460 0.000 0.687 453 R HN 0.000 nan 8.270 nan 0.000 0.535