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 1nda_1_C DATA FIRST_RESID 4 DATA SEQUENCE IFDLVVIGAG SGGLEAAWNA ATLYKKRVAV IDVQMVHGPP FFSALGGTcV DATA SEQUENCE NVGcVPKKLM VTGAQYMEHL RESAGFGWEF DRTTLRAEWK KLIAVKDEAV DATA SEQUENCE LNINKSYEEM FRDTEGLEFF LGWGSLESKN VVNVRESADP ASAVKERLET DATA SEQUENCE ENILLASGSW PHMPNIPGIE HCISSNEAFY LPEPPRRVLT VGGGFISVEF DATA SEQUENCE AGIFNAYKPK DGQVTLCYRG EMILRGFDHT LREELTKQLT ANGIQILTKE DATA SEQUENCE NPAKVELNAD GSKSVTFESG KKMDFDLVMM AIGRSPRTKD LQLQNAGVMI DATA SEQUENCE KNGGVQVDEY SRTNVSNIYA IGDVTNRVML TPVAINEAAA LVDTVFGTNP DATA SEQUENCE RKTDHTRVAS AVFSIPPIGT CGLIEEVASK RYEVVAVYLS SFTPLMHNIS DATA SEQUENCE GSKYKTFVAK IITNHSDGTV LGVHLLGDNA PEIIQGVGIC LKLNAKISDF DATA SEQUENCE YNTIGVHPTS AEELCSMRTP SYYYVKGEKM E 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 4 I HA 0.000 nan 4.170 nan 0.000 0.288 4 I C 0.000 175.880 176.117 -0.396 0.000 1.063 4 I CA 0.000 61.157 61.300 -0.237 0.000 1.566 4 I CB 0.000 37.943 38.000 -0.096 0.000 1.214 5 F N 5.413 125.402 119.950 0.065 0.000 2.523 5 F HA 0.482 5.009 4.527 -0.000 0.000 0.329 5 F C 1.246 177.105 175.800 0.099 0.000 1.061 5 F CA -0.392 57.659 58.000 0.085 0.000 0.967 5 F CB 1.288 40.353 39.000 0.108 0.000 1.218 5 F HN 0.446 nan 8.300 nan 0.000 0.480 6 D N 0.531 121.122 120.400 0.320 0.000 2.149 6 D HA -0.013 4.626 4.640 -0.000 0.000 0.201 6 D C -0.100 176.416 176.300 0.360 0.000 0.972 6 D CA 1.511 55.692 54.000 0.302 0.000 0.835 6 D CB 0.466 41.428 40.800 0.270 0.000 0.966 6 D HN 0.111 nan 8.370 nan 0.000 0.476 7 L N 0.601 122.013 121.223 0.316 0.000 2.464 7 L HA 0.275 4.615 4.340 -0.000 0.000 0.266 7 L C -1.483 175.482 176.870 0.158 0.000 0.965 7 L CA -0.597 54.407 54.840 0.273 0.000 0.833 7 L CB 2.483 44.704 42.059 0.269 0.000 1.296 7 L HN -0.355 nan 8.230 nan 0.000 0.405 8 V N 5.528 125.519 119.914 0.129 0.000 2.350 8 V HA 0.463 4.583 4.120 -0.000 0.000 0.285 8 V C -0.467 175.667 176.094 0.067 0.000 1.014 8 V CA -0.717 61.608 62.300 0.041 0.000 0.831 8 V CB 1.664 33.499 31.823 0.021 0.000 1.000 8 V HN 0.470 nan 8.190 nan 0.000 0.433 9 V N 6.516 126.466 119.914 0.059 0.000 2.348 9 V HA 0.386 4.506 4.120 -0.000 0.000 0.270 9 V C 0.270 176.395 176.094 0.051 0.000 1.037 9 V CA -0.319 62.028 62.300 0.079 0.000 0.872 9 V CB 1.240 33.121 31.823 0.097 0.000 1.002 9 V HN 0.686 nan 8.190 nan 0.000 0.464 10 I N 5.250 125.847 120.570 0.046 0.000 2.329 10 I HA 0.521 4.691 4.170 -0.000 0.000 0.295 10 I C 0.954 177.083 176.117 0.020 0.000 1.109 10 I CA 0.419 61.730 61.300 0.018 0.000 1.297 10 I CB 0.240 38.255 38.000 0.023 0.000 1.433 10 I HN 0.885 nan 8.210 nan 0.000 0.509 11 G N 4.645 113.445 108.800 0.000 0.000 3.353 11 G HA2 0.075 4.035 3.960 -0.000 0.000 0.682 11 G HA3 0.075 4.035 3.960 -0.000 0.000 0.682 11 G C -0.180 174.748 174.900 0.047 0.000 1.192 11 G CA -0.471 44.635 45.100 0.010 0.000 1.111 11 G HN 0.888 nan 8.290 nan 0.000 0.493 12 A N 1.923 124.781 122.820 0.063 0.000 3.077 12 A HA 0.688 5.008 4.320 -0.000 0.000 0.255 12 A C 1.485 179.070 177.584 0.002 0.000 1.728 12 A CA 1.270 53.352 52.037 0.075 0.000 1.383 12 A CB -0.441 18.635 19.000 0.128 0.000 1.097 12 A HN 1.989 nan 8.150 nan 0.000 0.634 13 G N -0.394 108.418 108.800 0.020 0.000 2.582 13 G HA2 0.338 4.298 3.960 -0.000 0.000 0.232 13 G HA3 0.338 4.298 3.960 -0.000 0.000 0.232 13 G C 1.137 176.033 174.900 -0.006 0.000 1.458 13 G CA 0.499 45.609 45.100 0.017 0.000 1.062 13 G HN 0.358 nan 8.290 nan 0.000 0.566 14 S N -0.527 115.188 115.700 0.025 0.000 2.362 14 S HA -0.018 4.452 4.470 -0.000 0.000 0.221 14 S C 2.423 177.047 174.600 0.039 0.000 1.032 14 S CA 1.299 59.516 58.200 0.030 0.000 0.973 14 S CB -0.468 62.762 63.200 0.050 0.000 0.849 14 S HN 0.714 nan 8.310 nan 0.000 0.465 15 G N 0.908 109.741 108.800 0.056 0.000 2.430 15 G HA2 0.069 4.028 3.960 -0.000 0.000 0.216 15 G HA3 0.069 4.028 3.960 -0.000 0.000 0.216 15 G C 1.389 176.332 174.900 0.071 0.000 1.146 15 G CA 0.808 45.948 45.100 0.067 0.000 0.793 15 G HN 0.537 nan 8.290 nan 0.000 0.537 16 G N 1.032 109.871 108.800 0.066 0.000 2.453 16 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.215 16 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.215 16 G C 1.624 176.573 174.900 0.081 0.000 1.201 16 G CA 0.750 45.896 45.100 0.076 0.000 0.784 16 G HN 0.287 nan 8.290 nan 0.000 0.545 17 L N 0.875 122.128 121.223 0.049 0.000 2.265 17 L HA 0.054 4.394 4.340 -0.000 0.000 0.215 17 L C 2.536 179.450 176.870 0.074 0.000 1.117 17 L CA 1.772 56.636 54.840 0.040 0.000 0.782 17 L CB -0.465 41.526 42.059 -0.113 0.000 0.914 17 L HN 0.412 nan 8.230 nan 0.000 0.441 18 E N -0.511 119.733 120.200 0.074 0.000 2.076 18 E HA -0.097 4.253 4.350 -0.000 0.000 0.190 18 E C 2.175 178.861 176.600 0.143 0.000 0.979 18 E CA 1.308 57.771 56.400 0.105 0.000 0.807 18 E CB -0.130 29.616 29.700 0.077 0.000 0.761 18 E HN 0.331 nan 8.360 nan 0.000 0.454 19 A N 0.778 123.669 122.820 0.118 0.000 1.968 19 A HA 0.114 4.434 4.320 -0.000 0.000 0.217 19 A C 2.399 180.043 177.584 0.099 0.000 1.169 19 A CA 1.615 53.724 52.037 0.119 0.000 0.638 19 A CB -0.861 18.209 19.000 0.115 0.000 0.812 19 A HN 0.387 nan 8.150 nan 0.000 0.446 20 A N -0.977 121.903 122.820 0.099 0.000 1.877 20 A HA -0.190 4.129 4.320 -0.000 0.000 0.216 20 A C 2.131 179.728 177.584 0.021 0.000 1.186 20 A CA 1.425 53.498 52.037 0.060 0.000 0.620 20 A CB -0.907 18.150 19.000 0.095 0.000 0.822 20 A HN 0.861 nan 8.150 nan 0.000 0.443 21 W N 0.882 122.126 121.300 -0.093 0.000 2.388 21 W HA -0.137 4.523 4.660 -0.000 0.000 0.294 21 W C 1.486 177.951 176.519 -0.090 0.000 1.212 21 W CA 1.769 59.043 57.345 -0.118 0.000 1.271 21 W CB -0.374 29.022 29.460 -0.106 0.000 1.126 21 W HN 0.399 nan 8.180 nan 0.000 0.535 22 N N 0.715 119.455 118.700 0.068 0.000 2.244 22 N HA -0.083 4.656 4.740 -0.000 0.000 0.183 22 N C 1.893 177.360 175.510 -0.072 0.000 1.016 22 N CA 2.071 55.126 53.050 0.008 0.000 0.866 22 N CB -0.591 37.978 38.487 0.137 0.000 0.980 22 N HN 0.150 nan 8.380 nan 0.000 0.430 23 A N 0.308 123.079 122.820 -0.082 0.000 1.855 23 A HA 0.211 4.531 4.320 -0.000 0.000 0.213 23 A C 2.257 179.672 177.584 -0.283 0.000 1.195 23 A CA 1.487 53.406 52.037 -0.197 0.000 0.610 23 A CB -1.042 17.700 19.000 -0.431 0.000 0.837 23 A HN 0.266 nan 8.150 nan 0.000 0.444 24 A N -1.154 121.478 122.820 -0.313 0.000 1.883 24 A HA -0.111 4.208 4.320 -0.000 0.000 0.217 24 A C 2.325 179.660 177.584 -0.414 0.000 1.186 24 A CA 2.513 54.351 52.037 -0.332 0.000 0.624 24 A CB -1.140 17.653 19.000 -0.345 0.000 0.822 24 A HN 0.414 nan 8.150 nan 0.000 0.444 25 T N -0.896 113.285 114.554 -0.623 0.000 2.939 25 T HA 0.098 4.448 4.350 -0.000 0.000 0.254 25 T C 1.673 176.100 174.700 -0.455 0.000 1.041 25 T CA 1.058 62.753 62.100 -0.676 0.000 1.142 25 T CB -0.135 67.987 68.868 -1.243 0.000 0.874 25 T HN 0.168 nan 8.240 nan 0.000 0.452 26 L N -0.305 120.634 121.223 -0.473 0.000 2.202 26 L HA 0.213 4.553 4.340 -0.000 0.000 0.205 26 L C 1.162 177.639 176.870 -0.655 0.000 1.083 26 L CA 1.485 55.986 54.840 -0.565 0.000 0.790 26 L CB -0.417 41.205 42.059 -0.728 0.000 0.942 26 L HN 0.309 nan 8.230 nan 0.000 0.452 27 Y N -1.482 118.725 120.300 -0.155 0.000 2.481 27 Y HA 0.245 4.795 4.550 -0.000 0.000 0.247 27 Y C 0.751 176.568 175.900 -0.138 0.000 1.151 27 Y CA -1.031 57.002 58.100 -0.112 0.000 1.238 27 Y CB 0.106 38.513 38.460 -0.089 0.000 1.179 27 Y HN -0.086 nan 8.280 nan 0.000 0.524 28 K N 0.159 120.496 120.400 -0.106 0.000 3.125 28 K HA -0.209 4.111 4.320 -0.000 0.000 0.268 28 K C -0.552 175.996 176.600 -0.087 0.000 1.078 28 K CA 0.292 56.514 56.287 -0.108 0.000 0.775 28 K CB -1.212 31.250 32.500 -0.064 0.000 1.253 28 K HN 0.094 nan 8.250 nan 0.000 0.486 29 K N 0.141 120.453 120.400 -0.147 0.000 2.109 29 K HA 0.435 4.755 4.320 -0.000 0.000 0.243 29 K C -0.033 176.523 176.600 -0.073 0.000 1.006 29 K CA -0.697 55.504 56.287 -0.144 0.000 0.917 29 K CB 0.774 33.041 32.500 -0.388 0.000 1.081 29 K HN 0.211 nan 8.250 nan 0.000 0.468 30 R N 0.761 121.280 120.500 0.032 0.000 2.255 30 R HA 0.479 4.819 4.340 -0.000 0.000 0.326 30 R C -1.403 175.089 176.300 0.321 0.000 0.986 30 R CA -0.489 55.719 56.100 0.180 0.000 0.847 30 R CB 0.626 31.032 30.300 0.178 0.000 1.111 30 R HN 0.289 nan 8.270 nan 0.000 0.452 31 V N 3.289 123.355 119.914 0.254 0.000 2.577 31 V HA 0.582 4.702 4.120 -0.000 0.000 0.303 31 V C -0.485 175.509 176.094 -0.166 0.000 1.042 31 V CA -1.029 61.306 62.300 0.058 0.000 0.872 31 V CB 1.709 33.527 31.823 -0.008 0.000 0.998 31 V HN 0.917 nan 8.190 nan 0.000 0.423 32 A N 4.364 126.914 122.820 -0.450 0.000 2.292 32 A HA 0.867 5.187 4.320 -0.000 0.000 0.319 32 A C -0.630 176.915 177.584 -0.064 0.000 1.206 32 A CA -0.510 51.291 52.037 -0.394 0.000 0.835 32 A CB 1.222 19.884 19.000 -0.563 0.000 1.164 32 A HN 0.767 nan 8.150 nan 0.000 0.505 33 V N 3.971 123.906 119.914 0.035 0.000 2.448 33 V HA 0.431 4.551 4.120 -0.000 0.000 0.295 33 V C -0.355 175.681 176.094 -0.096 0.000 1.025 33 V CA -0.208 62.151 62.300 0.098 0.000 0.859 33 V CB 1.331 33.377 31.823 0.372 0.000 0.988 33 V HN 0.739 nan 8.190 nan 0.000 0.431 34 I N 3.889 124.388 120.570 -0.119 0.000 2.378 34 I HA 0.568 4.738 4.170 -0.000 0.000 0.291 34 I C -0.674 175.274 176.117 -0.282 0.000 0.992 34 I CA -0.196 60.925 61.300 -0.299 0.000 1.154 34 I CB 1.760 39.671 38.000 -0.150 0.000 1.315 34 I HN 0.540 nan 8.210 nan 0.000 0.448 35 D N 4.212 124.335 120.400 -0.461 0.000 2.819 35 D HA 0.223 4.863 4.640 -0.000 0.000 0.232 35 D C 0.831 176.951 176.300 -0.300 0.000 1.160 35 D CA -0.504 53.374 54.000 -0.203 0.000 0.858 35 D CB 3.300 44.186 40.800 0.144 0.000 1.610 35 D HN 0.217 nan 8.370 nan 0.000 0.481 36 V N 2.713 122.316 119.914 -0.519 0.000 2.252 36 V HA -0.281 3.839 4.120 -0.000 0.000 0.255 36 V C 1.147 177.007 176.094 -0.390 0.000 1.071 36 V CA 2.070 63.858 62.300 -0.853 0.000 1.050 36 V CB -0.495 30.552 31.823 -1.293 0.000 0.654 36 V HN 0.657 nan 8.190 nan 0.000 0.448 37 Q N -1.231 118.494 119.800 -0.125 0.000 2.857 37 Q HA 0.633 4.973 4.340 -0.000 0.000 0.319 37 Q C -0.396 175.659 176.000 0.092 0.000 0.963 37 Q CA -0.646 55.184 55.803 0.046 0.000 0.770 37 Q CB 1.797 30.614 28.738 0.132 0.000 1.492 37 Q HN 0.335 nan 8.270 nan 0.000 0.493 38 M N -0.719 118.910 119.600 0.049 0.000 3.262 38 M HA 0.633 5.113 4.480 -0.000 0.000 0.450 38 M C -1.360 174.905 176.300 -0.058 0.000 1.524 38 M CA -0.519 54.760 55.300 -0.035 0.000 0.770 38 M CB 1.507 34.040 32.600 -0.112 0.000 1.459 38 M HN 0.280 nan 8.290 nan 0.000 0.517 39 V N 1.505 121.390 119.914 -0.048 0.000 2.950 39 V HA 0.408 4.528 4.120 -0.000 0.000 0.295 39 V C -1.022 174.988 176.094 -0.140 0.000 1.297 39 V CA -0.606 61.643 62.300 -0.086 0.000 0.962 39 V CB 1.870 33.606 31.823 -0.145 0.000 1.081 39 V HN 0.809 nan 8.190 nan 0.000 0.432 40 H N 4.420 123.501 119.070 0.018 0.000 2.983 40 H HA 0.637 5.193 4.556 -0.000 0.000 0.361 40 H C 0.396 175.693 175.328 -0.052 0.000 1.145 40 H CA 0.987 57.065 56.048 0.051 0.000 1.404 40 H CB 0.440 30.274 29.762 0.119 0.000 1.356 40 H HN 1.978 nan 8.280 nan 0.000 0.612 41 G N 0.519 109.298 108.800 -0.036 0.000 2.525 41 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.685 41 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.685 41 G C -3.076 171.293 174.900 -0.885 0.000 1.290 41 G CA -0.832 43.871 45.100 -0.661 0.000 0.915 41 G HN 0.804 nan 8.290 nan 0.000 0.548 42 P HA 0.279 nan 4.420 nan 0.000 0.268 42 P C -1.844 175.029 177.300 -0.711 0.000 1.204 42 P CA -0.798 61.547 63.100 -1.259 0.000 0.768 42 P CB 0.648 31.878 31.700 -0.784 0.000 0.842 43 P HA 0.220 nan 4.420 nan 0.000 0.251 43 P C 0.180 177.060 177.300 -0.699 0.000 1.198 43 P CA 0.583 63.179 63.100 -0.840 0.000 0.847 43 P CB 0.334 31.427 31.700 -1.013 0.000 1.082 44 F N -2.699 117.202 119.950 -0.080 0.000 2.682 44 F HA 0.330 4.857 4.527 -0.000 0.000 0.308 44 F C 0.963 177.028 175.800 0.442 0.000 1.093 44 F CA -0.388 57.778 58.000 0.277 0.000 1.244 44 F CB -0.490 38.608 39.000 0.163 0.000 1.052 44 F HN -0.322 nan 8.300 nan 0.000 0.573 45 F N -1.379 118.742 119.950 0.285 0.000 2.571 45 F HA -0.373 4.154 4.527 -0.000 0.000 0.671 45 F C 1.385 177.334 175.800 0.248 0.000 0.488 45 F CA 1.133 59.283 58.000 0.250 0.000 0.731 45 F CB -1.673 37.506 39.000 0.298 0.000 1.619 45 F HN -0.015 nan 8.300 nan 0.000 0.262 46 S N 0.803 116.772 115.700 0.448 0.000 2.592 46 S HA 0.760 5.230 4.470 -0.000 0.000 0.271 46 S C -0.004 174.709 174.600 0.188 0.000 1.326 46 S CA 0.197 58.565 58.200 0.281 0.000 1.024 46 S CB 1.218 64.586 63.200 0.279 0.000 0.921 46 S HN 0.968 nan 8.310 nan 0.000 0.527 47 A N 2.957 125.853 122.820 0.127 0.000 2.524 47 A HA 0.527 4.847 4.320 -0.000 0.000 0.303 47 A C -0.996 176.615 177.584 0.045 0.000 1.195 47 A CA -0.896 51.187 52.037 0.076 0.000 0.651 47 A CB 0.079 19.123 19.000 0.072 0.000 1.323 47 A HN 0.804 nan 8.150 nan 0.000 0.479 48 L N 0.842 122.058 121.223 -0.012 0.000 2.776 48 L HA 0.167 4.507 4.340 -0.000 0.000 0.283 48 L C 1.443 178.304 176.870 -0.014 0.000 1.194 48 L CA 2.113 56.889 54.840 -0.105 0.000 0.947 48 L CB -0.164 41.739 42.059 -0.259 0.000 1.255 48 L HN 1.675 nan 8.230 nan 0.000 0.481 49 G N 1.595 110.312 108.800 -0.138 0.000 2.316 49 G HA2 0.001 3.961 3.960 -0.000 0.000 0.203 49 G HA3 0.001 3.961 3.960 -0.000 0.000 0.203 49 G C 0.571 175.468 174.900 -0.004 0.000 0.999 49 G CA -0.282 44.767 45.100 -0.085 0.000 0.649 49 G HN 1.530 nan 8.290 nan 0.000 0.489 50 G N -1.278 107.535 108.800 0.022 0.000 2.660 50 G HA2 0.105 4.065 3.960 -0.000 0.000 0.215 50 G HA3 0.105 4.065 3.960 -0.000 0.000 0.215 50 G C 0.708 175.652 174.900 0.074 0.000 1.345 50 G CA 0.729 45.860 45.100 0.052 0.000 0.877 50 G HN 1.190 nan 8.290 nan 0.000 0.549 51 T N -0.494 114.109 114.554 0.080 0.000 2.942 51 T HA -0.069 4.281 4.350 -0.000 0.000 0.265 51 T C 2.394 177.110 174.700 0.026 0.000 1.062 51 T CA 2.131 64.274 62.100 0.071 0.000 1.139 51 T CB -0.405 68.516 68.868 0.089 0.000 0.883 51 T HN 0.962 nan 8.240 nan 0.000 0.468 52 c N 1.040 119.662 118.600 0.036 0.000 2.425 52 c HA 0.006 4.575 4.570 -0.000 0.000 0.277 52 c C 2.691 176.764 174.090 -0.027 0.000 1.280 52 c CA 0.481 56.820 56.329 0.016 0.000 1.744 52 c CB -1.120 41.414 42.510 0.041 0.000 1.989 52 c HN 0.345 nan 8.230 nan 0.000 0.491 53 V N 1.372 121.287 119.914 0.001 0.000 2.535 53 V HA -0.067 4.053 4.120 -0.000 0.000 0.246 53 V C 2.212 178.264 176.094 -0.069 0.000 1.045 53 V CA 1.985 64.280 62.300 -0.008 0.000 1.058 53 V CB -0.552 31.327 31.823 0.093 0.000 0.689 53 V HN 0.573 nan 8.190 nan 0.000 0.461 54 N N 0.412 119.087 118.700 -0.040 0.000 2.420 54 N HA 0.014 4.753 4.740 -0.000 0.000 0.185 54 N C 1.026 176.422 175.510 -0.191 0.000 1.033 54 N CA 1.694 54.731 53.050 -0.023 0.000 0.879 54 N CB 0.775 39.343 38.487 0.134 0.000 1.071 54 N HN 0.486 nan 8.380 nan 0.000 0.437 55 V N -2.316 117.458 119.914 -0.234 0.000 2.771 55 V HA 0.722 4.841 4.120 -0.000 0.000 0.355 55 V C 0.329 176.148 176.094 -0.459 0.000 1.289 55 V CA -0.415 61.561 62.300 -0.539 0.000 1.231 55 V CB 0.536 32.328 31.823 -0.052 0.000 1.396 55 V HN 0.182 nan 8.190 nan 0.000 0.628 56 G N -0.360 108.203 108.800 -0.394 0.000 3.354 56 G HA2 0.249 4.209 3.960 -0.000 0.000 0.174 56 G HA3 0.249 4.209 3.960 -0.000 0.000 0.174 56 G C 0.779 175.617 174.900 -0.102 0.000 1.140 56 G CA 0.613 45.646 45.100 -0.112 0.000 0.897 56 G HN 0.255 nan 8.290 nan 0.000 0.685 57 c N -0.031 118.540 118.600 -0.047 0.000 2.413 57 c HA -0.009 4.561 4.570 -0.000 0.000 0.278 57 c C 2.917 176.919 174.090 -0.148 0.000 1.224 57 c CA 1.057 57.343 56.329 -0.071 0.000 1.732 57 c CB -1.370 41.125 42.510 -0.025 0.000 2.050 57 c HN 0.279 nan 8.230 nan 0.000 0.463 58 V N 2.772 122.602 119.914 -0.139 0.000 2.287 58 V HA -0.164 3.956 4.120 -0.000 0.000 0.248 58 V C 0.183 176.163 176.094 -0.191 0.000 1.053 58 V CA 2.743 64.951 62.300 -0.153 0.000 1.027 58 V CB -1.780 29.969 31.823 -0.124 0.000 0.646 58 V HN 0.492 nan 8.190 nan 0.000 0.447 59 P HA -0.123 nan 4.420 nan 0.000 0.220 59 P C 1.300 178.534 177.300 -0.111 0.000 1.152 59 P CA 1.336 64.291 63.100 -0.242 0.000 0.812 59 P CB -0.014 31.416 31.700 -0.450 0.000 0.792 60 K N 0.454 120.817 120.400 -0.062 0.000 2.155 60 K HA -0.045 4.274 4.320 -0.000 0.000 0.203 60 K C 2.117 178.564 176.600 -0.254 0.000 1.052 60 K CA 1.285 57.516 56.287 -0.093 0.000 0.948 60 K CB -0.797 31.643 32.500 -0.101 0.000 0.728 60 K HN -0.075 nan 8.250 nan 0.000 0.448 61 K N 0.164 120.386 120.400 -0.296 0.000 2.228 61 K HA 0.049 4.369 4.320 -0.000 0.000 0.202 61 K C 1.615 178.079 176.600 -0.227 0.000 1.051 61 K CA 0.524 56.587 56.287 -0.372 0.000 0.960 61 K CB -0.005 32.217 32.500 -0.464 0.000 0.743 61 K HN 0.102 nan 8.250 nan 0.000 0.458 62 L N 0.681 121.796 121.223 -0.179 0.000 2.141 62 L HA -0.073 4.267 4.340 -0.000 0.000 0.209 62 L C 2.202 179.005 176.870 -0.111 0.000 1.094 62 L CA 1.542 56.306 54.840 -0.126 0.000 0.763 62 L CB -0.311 41.667 42.059 -0.134 0.000 0.908 62 L HN 0.185 nan 8.230 nan 0.000 0.437 63 M N -2.606 116.901 119.600 -0.154 0.000 2.334 63 M HA -0.081 4.399 4.480 -0.000 0.000 0.266 63 M C 2.079 178.321 176.300 -0.096 0.000 1.082 63 M CA 0.618 55.823 55.300 -0.158 0.000 1.141 63 M CB 0.053 32.504 32.600 -0.249 0.000 1.380 63 M HN -0.000 nan 8.290 nan 0.000 0.440 64 V N -0.098 119.722 119.914 -0.156 0.000 2.379 64 V HA -0.205 3.915 4.120 -0.000 0.000 0.245 64 V C 2.226 178.276 176.094 -0.073 0.000 1.044 64 V CA 2.005 64.234 62.300 -0.119 0.000 1.036 64 V CB -0.688 31.050 31.823 -0.141 0.000 0.664 64 V HN 0.459 nan 8.190 nan 0.000 0.453 65 T N 0.254 114.757 114.554 -0.085 0.000 2.759 65 T HA -0.135 4.214 4.350 -0.000 0.000 0.269 65 T C 1.838 176.496 174.700 -0.070 0.000 1.042 65 T CA 1.561 63.601 62.100 -0.099 0.000 1.140 65 T CB -0.532 68.299 68.868 -0.063 0.000 0.864 65 T HN 0.624 nan 8.240 nan 0.000 0.455 66 G N 0.815 109.671 108.800 0.093 0.000 2.408 66 G HA2 0.029 3.989 3.960 -0.000 0.000 0.217 66 G HA3 0.029 3.989 3.960 -0.000 0.000 0.217 66 G C 1.766 176.801 174.900 0.225 0.000 1.150 66 G CA 0.736 46.017 45.100 0.302 0.000 0.776 66 G HN 0.571 nan 8.290 nan 0.000 0.542 67 A N -0.353 122.554 122.820 0.145 0.000 2.066 67 A HA 0.035 4.354 4.320 -0.000 0.000 0.218 67 A C 2.273 179.797 177.584 -0.101 0.000 1.157 67 A CA 1.461 53.498 52.037 -0.001 0.000 0.670 67 A CB -0.228 18.803 19.000 0.051 0.000 0.804 67 A HN 0.307 nan 8.150 nan 0.000 0.453 68 Q N -1.302 118.407 119.800 -0.152 0.000 2.167 68 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 68 Q C 1.301 177.072 176.000 -0.382 0.000 0.970 68 Q CA 1.135 56.763 55.803 -0.293 0.000 0.855 68 Q CB -0.289 28.250 28.738 -0.332 0.000 0.911 68 Q HN 0.808 nan 8.270 nan 0.000 0.438 69 Y N 0.349 120.596 120.300 -0.089 0.000 2.569 69 Y HA -0.184 4.366 4.550 -0.000 0.000 0.293 69 Y C 2.188 178.052 175.900 -0.060 0.000 1.144 69 Y CA 1.240 59.326 58.100 -0.024 0.000 1.321 69 Y CB -0.467 38.006 38.460 0.021 0.000 0.982 69 Y HN 0.227 nan 8.280 nan 0.000 0.558 70 M N -0.855 118.744 119.600 -0.002 0.000 2.288 70 M HA -0.059 4.420 4.480 -0.000 0.000 0.266 70 M C 1.550 177.847 176.300 -0.006 0.000 1.072 70 M CA 1.540 56.837 55.300 -0.005 0.000 1.132 70 M CB 0.058 32.617 32.600 -0.068 0.000 1.386 70 M HN -0.134 nan 8.290 nan 0.000 0.432 71 E N 0.458 120.596 120.200 -0.104 0.000 2.028 71 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 71 E C 2.116 178.690 176.600 -0.044 0.000 0.988 71 E CA 1.443 57.778 56.400 -0.109 0.000 0.799 71 E CB -0.856 28.703 29.700 -0.236 0.000 0.755 71 E HN 0.669 nan 8.360 nan 0.000 0.447 72 H N 0.374 119.484 119.070 0.067 0.000 2.352 72 H HA -0.073 4.483 4.556 -0.000 0.000 0.299 72 H C 2.129 177.524 175.328 0.112 0.000 1.097 72 H CA 0.795 56.887 56.048 0.074 0.000 1.311 72 H CB -0.285 29.526 29.762 0.081 0.000 1.377 72 H HN 0.042 nan 8.280 nan 0.000 0.504 73 L N 0.528 121.897 121.223 0.243 0.000 2.141 73 L HA -0.073 4.267 4.340 -0.000 0.000 0.209 73 L C 2.658 179.702 176.870 0.290 0.000 1.094 73 L CA 1.175 56.179 54.840 0.273 0.000 0.763 73 L CB -0.669 41.545 42.059 0.259 0.000 0.908 73 L HN 0.163 nan 8.230 nan 0.000 0.437 74 R N 0.521 121.140 120.500 0.199 0.000 2.060 74 R HA -0.121 4.218 4.340 -0.000 0.000 0.225 74 R C 1.841 178.255 176.300 0.190 0.000 1.155 74 R CA 1.567 57.765 56.100 0.163 0.000 0.930 74 R CB -0.175 30.196 30.300 0.118 0.000 0.829 74 R HN 0.522 nan 8.270 nan 0.000 0.433 75 E N 0.812 121.134 120.200 0.203 0.000 2.516 75 E HA -0.086 4.263 4.350 -0.000 0.000 0.199 75 E C 1.539 178.346 176.600 0.344 0.000 1.069 75 E CA 0.952 57.506 56.400 0.257 0.000 0.876 75 E CB 0.019 29.886 29.700 0.277 0.000 0.843 75 E HN 0.392 nan 8.360 nan 0.000 0.530 76 S N 1.458 117.343 115.700 0.309 0.000 2.399 76 S HA -0.099 4.370 4.470 -0.000 0.000 0.231 76 S C 2.256 177.152 174.600 0.493 0.000 1.022 76 S CA 0.749 59.164 58.200 0.357 0.000 0.983 76 S CB -0.171 63.192 63.200 0.271 0.000 0.803 76 S HN 0.374 nan 8.310 nan 0.000 0.480 77 A N 1.532 124.566 122.820 0.357 0.000 2.015 77 A HA 0.257 4.576 4.320 -0.000 0.000 0.219 77 A C 2.318 180.031 177.584 0.215 0.000 1.163 77 A CA 1.328 53.523 52.037 0.263 0.000 0.646 77 A CB -1.564 17.513 19.000 0.128 0.000 0.806 77 A HN 0.683 nan 8.150 nan 0.000 0.448 78 G N -1.793 107.144 108.800 0.229 0.000 2.484 78 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.218 78 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.218 78 G C 0.765 175.619 174.900 -0.077 0.000 1.130 78 G CA 0.519 45.652 45.100 0.054 0.000 0.784 78 G HN 0.443 nan 8.290 nan 0.000 0.543 79 F N 0.556 120.599 119.950 0.155 0.000 2.660 79 F HA 0.411 4.938 4.527 -0.000 0.000 0.297 79 F C 1.782 177.613 175.800 0.052 0.000 1.132 79 F CA 0.023 58.112 58.000 0.148 0.000 1.372 79 F CB 0.610 39.761 39.000 0.252 0.000 1.003 79 F HN 0.206 nan 8.300 nan 0.000 0.524 80 G N -1.233 107.628 108.800 0.101 0.000 2.213 80 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.236 80 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.236 80 G C -0.082 174.713 174.900 -0.175 0.000 0.991 80 G CA -0.690 44.351 45.100 -0.098 0.000 0.629 80 G HN 0.269 nan 8.290 nan 0.000 0.517 81 W N 2.376 123.767 121.300 0.151 0.000 2.485 81 W HA 0.658 5.318 4.660 -0.000 0.000 0.315 81 W C 0.320 176.948 176.519 0.182 0.000 1.304 81 W CA -0.374 57.073 57.345 0.171 0.000 1.345 81 W CB 0.675 30.256 29.460 0.200 0.000 1.368 81 W HN -0.047 nan 8.180 nan 0.000 0.497 82 E N 3.648 124.028 120.200 0.300 0.000 2.227 82 E HA 0.563 4.913 4.350 -0.000 0.000 0.268 82 E C -0.824 175.979 176.600 0.338 0.000 0.907 82 E CA -0.999 55.519 56.400 0.197 0.000 0.786 82 E CB 2.251 31.987 29.700 0.061 0.000 1.191 82 E HN 0.320 nan 8.360 nan 0.000 0.411 83 F N -1.622 118.394 119.950 0.111 0.000 2.741 83 F HA 0.285 4.812 4.527 -0.000 0.000 0.311 83 F C -0.347 175.494 175.800 0.068 0.000 1.149 83 F CA -1.316 56.738 58.000 0.090 0.000 0.930 83 F CB 0.590 39.652 39.000 0.103 0.000 1.312 83 F HN 0.093 nan 8.300 nan 0.000 0.450 84 D N 1.955 122.458 120.400 0.171 0.000 2.449 84 D HA -0.001 4.638 4.640 -0.000 0.000 0.278 84 D C 1.087 177.422 176.300 0.059 0.000 1.417 84 D CA 0.644 54.693 54.000 0.080 0.000 1.192 84 D CB 0.209 41.087 40.800 0.129 0.000 1.129 84 D HN 0.675 nan 8.370 nan 0.000 0.539 85 R N 1.107 121.472 120.500 -0.225 0.000 2.316 85 R HA -0.047 4.293 4.340 -0.000 0.000 0.202 85 R C 1.904 178.207 176.300 0.005 0.000 1.029 85 R CA 0.541 56.520 56.100 -0.203 0.000 1.018 85 R CB 0.253 30.326 30.300 -0.378 0.000 0.888 85 R HN 0.236 nan 8.270 nan 0.000 0.471 86 T N -1.126 113.436 114.554 0.014 0.000 2.867 86 T HA -0.098 4.251 4.350 -0.000 0.000 0.268 86 T C 1.614 176.356 174.700 0.071 0.000 1.057 86 T CA 1.455 63.577 62.100 0.036 0.000 1.136 86 T CB 0.026 68.909 68.868 0.025 0.000 0.874 86 T HN 0.187 nan 8.240 nan 0.000 0.466 87 T N 1.259 115.878 114.554 0.108 0.000 3.055 87 T HA 0.152 4.502 4.350 -0.000 0.000 0.265 87 T C 0.383 175.166 174.700 0.139 0.000 1.111 87 T CA 0.004 62.176 62.100 0.121 0.000 1.118 87 T CB -0.266 68.687 68.868 0.141 0.000 0.909 87 T HN 0.177 nan 8.240 nan 0.000 0.501 88 L N 3.607 124.943 121.223 0.188 0.000 2.342 88 L HA 0.448 4.788 4.340 -0.000 0.000 0.285 88 L C -0.451 176.496 176.870 0.128 0.000 1.095 88 L CA 0.000 54.963 54.840 0.205 0.000 0.843 88 L CB 0.098 42.377 42.059 0.367 0.000 1.201 88 L HN -0.124 nan 8.230 nan 0.000 0.445 89 R N 4.270 124.829 120.500 0.098 0.000 2.795 89 R HA 0.756 5.096 4.340 -0.000 0.000 0.275 89 R C -1.035 175.321 176.300 0.093 0.000 0.981 89 R CA -0.672 55.481 56.100 0.088 0.000 0.917 89 R CB 1.772 32.122 30.300 0.084 0.000 1.202 89 R HN 0.682 nan 8.270 nan 0.000 0.469 90 A N 1.164 124.051 122.820 0.113 0.000 2.290 90 A HA 0.409 4.729 4.320 -0.000 0.000 0.310 90 A C -0.367 177.391 177.584 0.291 0.000 1.202 90 A CA -0.321 51.822 52.037 0.176 0.000 0.837 90 A CB 0.645 19.697 19.000 0.087 0.000 1.139 90 A HN 0.494 nan 8.150 nan 0.000 0.509 91 E N 2.758 123.143 120.200 0.308 0.000 2.261 91 E HA 0.094 4.444 4.350 -0.000 0.000 0.239 91 E C 0.742 177.514 176.600 0.287 0.000 0.991 91 E CA -0.692 55.862 56.400 0.257 0.000 0.847 91 E CB -0.108 29.681 29.700 0.148 0.000 1.223 91 E HN 0.785 nan 8.360 nan 0.000 0.446 92 W N 4.701 126.070 121.300 0.115 0.000 2.321 92 W HA -0.268 4.392 4.660 -0.000 0.000 0.306 92 W C 0.742 177.211 176.519 -0.083 0.000 1.217 92 W CA 1.539 58.829 57.345 -0.091 0.000 1.257 92 W CB 0.181 29.625 29.460 -0.027 0.000 1.145 92 W HN 0.418 nan 8.180 nan 0.000 0.509 93 K N 0.366 120.886 120.400 0.200 0.000 2.113 93 K HA -0.274 4.046 4.320 -0.000 0.000 0.208 93 K C 2.148 178.716 176.600 -0.053 0.000 1.047 93 K CA 2.180 58.508 56.287 0.069 0.000 0.928 93 K CB -0.348 32.226 32.500 0.124 0.000 0.716 93 K HN 0.034 nan 8.250 nan 0.000 0.446 94 K N 0.937 121.321 120.400 -0.026 0.000 2.057 94 K HA -0.153 4.166 4.320 -0.000 0.000 0.206 94 K C 2.071 178.595 176.600 -0.127 0.000 1.050 94 K CA 0.859 57.117 56.287 -0.047 0.000 0.935 94 K CB -0.117 32.383 32.500 -0.001 0.000 0.715 94 K HN 0.010 nan 8.250 nan 0.000 0.439 95 L N 1.828 122.921 121.223 -0.217 0.000 1.970 95 L HA -0.139 4.201 4.340 -0.000 0.000 0.212 95 L C 2.032 178.668 176.870 -0.389 0.000 1.071 95 L CA 1.921 56.563 54.840 -0.329 0.000 0.751 95 L CB -0.572 41.134 42.059 -0.587 0.000 0.889 95 L HN 0.416 nan 8.230 nan 0.000 0.432 96 I N -2.486 117.746 120.570 -0.563 0.000 2.756 96 I HA -0.024 4.146 4.170 -0.000 0.000 0.262 96 I C 2.238 178.218 176.117 -0.228 0.000 1.225 96 I CA 1.161 62.184 61.300 -0.461 0.000 1.472 96 I CB -0.878 36.785 38.000 -0.561 0.000 1.094 96 I HN 0.247 nan 8.210 nan 0.000 0.454 97 A N 2.000 124.716 122.820 -0.174 0.000 1.897 97 A HA -0.056 4.264 4.320 -0.000 0.000 0.215 97 A C 2.437 179.975 177.584 -0.076 0.000 1.181 97 A CA 1.879 53.867 52.037 -0.081 0.000 0.620 97 A CB -0.960 18.009 19.000 -0.053 0.000 0.821 97 A HN 0.469 nan 8.150 nan 0.000 0.443 98 V N -2.188 117.665 119.914 -0.102 0.000 2.719 98 V HA -0.090 4.030 4.120 -0.000 0.000 0.252 98 V C 2.112 178.140 176.094 -0.110 0.000 1.065 98 V CA 2.110 64.357 62.300 -0.088 0.000 1.086 98 V CB -0.666 31.108 31.823 -0.081 0.000 0.700 98 V HN 0.423 nan 8.190 nan 0.000 0.467 99 K N 0.967 121.275 120.400 -0.154 0.000 2.002 99 K HA -0.235 4.085 4.320 -0.000 0.000 0.209 99 K C 1.873 178.354 176.600 -0.198 0.000 1.048 99 K CA 2.334 58.507 56.287 -0.190 0.000 0.930 99 K CB -0.703 31.653 32.500 -0.240 0.000 0.714 99 K HN 0.516 nan 8.250 nan 0.000 0.438 100 D N 0.837 121.147 120.400 -0.151 0.000 2.149 100 D HA -0.162 4.478 4.640 -0.000 0.000 0.198 100 D C 1.891 178.183 176.300 -0.013 0.000 0.990 100 D CA 1.053 54.997 54.000 -0.095 0.000 0.839 100 D CB -0.075 40.794 40.800 0.116 0.000 0.948 100 D HN 0.329 nan 8.370 nan 0.000 0.460 101 E N 0.865 121.051 120.200 -0.023 0.000 2.031 101 E HA -0.108 4.241 4.350 -0.000 0.000 0.193 101 E C 1.935 178.511 176.600 -0.041 0.000 0.994 101 E CA 1.592 57.985 56.400 -0.013 0.000 0.800 101 E CB -0.449 29.233 29.700 -0.029 0.000 0.752 101 E HN 0.142 nan 8.360 nan 0.000 0.447 102 A N 0.031 122.801 122.820 -0.082 0.000 1.883 102 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 102 A C 2.524 180.044 177.584 -0.107 0.000 1.186 102 A CA 1.884 53.863 52.037 -0.096 0.000 0.624 102 A CB -0.822 18.111 19.000 -0.113 0.000 0.822 102 A HN 0.209 nan 8.150 nan 0.000 0.444 103 V N -0.222 119.598 119.914 -0.157 0.000 2.515 103 V HA -0.184 3.936 4.120 -0.000 0.000 0.250 103 V C 2.461 178.550 176.094 -0.008 0.000 1.058 103 V CA 1.705 63.904 62.300 -0.169 0.000 1.064 103 V CB -0.746 30.829 31.823 -0.413 0.000 0.675 103 V HN 0.623 nan 8.190 nan 0.000 0.461 104 L N 0.774 122.041 121.223 0.074 0.000 2.141 104 L HA -0.120 4.220 4.340 -0.000 0.000 0.209 104 L C 1.883 178.778 176.870 0.042 0.000 1.094 104 L CA 2.033 56.977 54.840 0.174 0.000 0.763 104 L CB -0.863 41.298 42.059 0.169 0.000 0.908 104 L HN 0.389 nan 8.230 nan 0.000 0.437 105 N N -0.457 118.233 118.700 -0.017 0.000 2.250 105 N HA -0.088 4.652 4.740 -0.000 0.000 0.181 105 N C 1.711 177.148 175.510 -0.121 0.000 1.017 105 N CA 1.017 54.030 53.050 -0.063 0.000 0.866 105 N CB -0.035 38.409 38.487 -0.071 0.000 0.985 105 N HN 0.267 nan 8.380 nan 0.000 0.429 106 I N 1.951 122.439 120.570 -0.137 0.000 2.264 106 I HA -0.251 3.919 4.170 -0.000 0.000 0.248 106 I C 1.491 177.463 176.117 -0.242 0.000 1.111 106 I CA 1.470 62.617 61.300 -0.255 0.000 1.382 106 I CB -1.468 36.439 38.000 -0.155 0.000 1.060 106 I HN 0.201 nan 8.210 nan 0.000 0.418 107 N N 0.988 119.669 118.700 -0.031 0.000 2.120 107 N HA -0.168 4.572 4.740 -0.000 0.000 0.188 107 N C 1.823 177.329 175.510 -0.007 0.000 1.024 107 N CA 1.005 54.088 53.050 0.055 0.000 0.852 107 N CB -0.086 38.442 38.487 0.069 0.000 1.003 107 N HN 0.391 nan 8.380 nan 0.000 0.424 108 K N 0.529 120.900 120.400 -0.048 0.000 2.097 108 K HA -0.059 4.260 4.320 -0.000 0.000 0.205 108 K C 2.315 178.877 176.600 -0.064 0.000 1.050 108 K CA 1.379 57.636 56.287 -0.050 0.000 0.938 108 K CB -0.002 32.470 32.500 -0.048 0.000 0.718 108 K HN 0.248 nan 8.250 nan 0.000 0.442 109 S N -0.006 115.612 115.700 -0.137 0.000 2.387 109 S HA -0.128 4.342 4.470 -0.000 0.000 0.226 109 S C 1.856 176.394 174.600 -0.104 0.000 1.026 109 S CA 0.653 58.752 58.200 -0.168 0.000 0.972 109 S CB -0.512 62.515 63.200 -0.289 0.000 0.814 109 S HN 0.191 nan 8.310 nan 0.000 0.477 110 Y N 2.286 122.570 120.300 -0.025 0.000 2.274 110 Y HA 0.053 4.603 4.550 -0.000 0.000 0.290 110 Y C 2.759 178.727 175.900 0.114 0.000 1.145 110 Y CA 0.502 58.624 58.100 0.037 0.000 1.203 110 Y CB -0.688 37.781 38.460 0.015 0.000 0.984 110 Y HN 0.274 nan 8.280 nan 0.000 0.533 111 E N 0.933 121.212 120.200 0.131 0.000 2.021 111 E HA -0.256 4.093 4.350 -0.000 0.000 0.200 111 E C 1.942 178.617 176.600 0.126 0.000 1.015 111 E CA 1.746 58.176 56.400 0.050 0.000 0.824 111 E CB -0.048 29.637 29.700 -0.025 0.000 0.762 111 E HN 0.477 nan 8.360 nan 0.000 0.454 112 E N 0.559 120.805 120.200 0.077 0.000 2.086 112 E HA -0.209 4.141 4.350 -0.000 0.000 0.200 112 E C 2.028 178.694 176.600 0.110 0.000 1.012 112 E CA 1.613 58.055 56.400 0.071 0.000 0.812 112 E CB -0.377 29.336 29.700 0.023 0.000 0.743 112 E HN 0.279 nan 8.360 nan 0.000 0.453 113 M N -0.511 119.163 119.600 0.123 0.000 2.108 113 M HA -0.245 4.235 4.480 -0.000 0.000 0.257 113 M C 1.506 177.852 176.300 0.076 0.000 1.071 113 M CA 1.741 57.103 55.300 0.103 0.000 1.093 113 M CB -0.208 32.441 32.600 0.081 0.000 1.345 113 M HN 0.142 nan 8.290 nan 0.000 0.403 114 F N -0.384 119.624 119.950 0.095 0.000 2.206 114 F HA -0.036 4.491 4.527 -0.000 0.000 0.298 114 F C 2.418 178.247 175.800 0.049 0.000 1.090 114 F CA 1.138 59.179 58.000 0.068 0.000 1.323 114 F CB -0.404 38.605 39.000 0.015 0.000 1.028 114 F HN 0.106 nan 8.300 nan 0.000 0.492 115 R N 0.158 120.781 120.500 0.206 0.000 2.325 115 R HA -0.015 4.325 4.340 -0.000 0.000 0.214 115 R C -0.127 176.224 176.300 0.084 0.000 0.961 115 R CA 0.547 56.721 56.100 0.123 0.000 1.086 115 R CB -0.223 30.133 30.300 0.093 0.000 1.037 115 R HN 0.243 nan 8.270 nan 0.000 0.493 116 D N -1.328 119.122 120.400 0.084 0.000 2.480 116 D HA 0.076 4.715 4.640 -0.000 0.000 0.276 116 D C -0.709 175.624 176.300 0.056 0.000 1.294 116 D CA 0.206 54.245 54.000 0.065 0.000 0.829 116 D CB 1.444 42.285 40.800 0.069 0.000 1.242 116 D HN -0.089 nan 8.370 nan 0.000 0.513 117 T N 1.530 116.108 114.554 0.040 0.000 2.848 117 T HA 0.296 4.646 4.350 -0.000 0.000 0.285 117 T C -0.341 174.333 174.700 -0.044 0.000 0.995 117 T CA -0.750 61.335 62.100 -0.024 0.000 0.970 117 T CB 2.396 71.229 68.868 -0.058 0.000 0.976 117 T HN -0.075 nan 8.240 nan 0.000 0.441 118 E N 1.406 121.568 120.200 -0.064 0.000 2.436 118 E HA 0.416 4.766 4.350 -0.000 0.000 0.262 118 E C 1.432 177.993 176.600 -0.064 0.000 1.063 118 E CA 0.355 56.727 56.400 -0.048 0.000 0.944 118 E CB -0.268 29.396 29.700 -0.058 0.000 0.950 118 E HN 0.821 nan 8.360 nan 0.000 0.444 119 G N 1.833 110.634 108.800 0.001 0.000 2.779 119 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.230 119 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.230 119 G C 0.134 175.065 174.900 0.051 0.000 1.243 119 G CA 0.209 45.327 45.100 0.029 0.000 0.769 119 G HN 0.555 nan 8.290 nan 0.000 0.516 120 L N 2.724 123.923 121.223 -0.040 0.000 2.500 120 L HA 0.400 4.740 4.340 -0.000 0.000 0.272 120 L C 0.477 177.424 176.870 0.129 0.000 1.149 120 L CA 0.367 55.180 54.840 -0.044 0.000 0.897 120 L CB 0.268 42.148 42.059 -0.299 0.000 1.178 120 L HN 0.664 nan 8.230 nan 0.000 0.473 121 E N 4.147 124.459 120.200 0.187 0.000 2.331 121 E HA 0.354 4.704 4.350 -0.000 0.000 0.275 121 E C -1.468 175.068 176.600 -0.108 0.000 0.895 121 E CA -0.817 55.650 56.400 0.111 0.000 0.753 121 E CB 2.405 32.057 29.700 -0.080 0.000 1.216 121 E HN 0.264 nan 8.360 nan 0.000 0.434 122 F N 2.349 122.013 119.950 -0.476 0.000 2.444 122 F HA 0.529 5.056 4.527 -0.000 0.000 0.342 122 F C -1.634 173.715 175.800 -0.751 0.000 1.121 122 F CA -1.061 56.530 58.000 -0.681 0.000 0.997 122 F CB 0.786 39.179 39.000 -1.011 0.000 1.130 122 F HN 0.406 nan 8.300 nan 0.000 0.454 123 F N 6.962 126.455 119.950 -0.761 0.000 2.426 123 F HA 0.430 4.957 4.527 -0.000 0.000 0.348 123 F C -0.561 174.681 175.800 -0.930 0.000 1.124 123 F CA -0.980 56.659 58.000 -0.602 0.000 1.008 123 F CB 1.378 40.174 39.000 -0.340 0.000 1.139 123 F HN 0.277 nan 8.300 nan 0.000 0.452 124 L N 3.699 124.654 121.223 -0.447 0.000 2.315 124 L HA 0.718 5.058 4.340 -0.000 0.000 0.283 124 L C 0.258 177.026 176.870 -0.170 0.000 1.089 124 L CA 0.760 55.412 54.840 -0.312 0.000 0.833 124 L CB -0.145 41.903 42.059 -0.019 0.000 1.170 124 L HN 0.805 nan 8.230 nan 0.000 0.442 125 G N 3.005 111.667 108.800 -0.229 0.000 2.333 125 G HA2 0.092 4.051 3.960 -0.000 0.000 0.288 125 G HA3 0.092 4.051 3.960 -0.000 0.000 0.288 125 G C -2.281 172.493 174.900 -0.209 0.000 1.286 125 G CA -0.873 44.159 45.100 -0.113 0.000 0.865 125 G HN 0.351 nan 8.290 nan 0.000 0.506 126 W N 1.004 122.207 121.300 -0.161 0.000 2.318 126 W HA 0.588 5.248 4.660 -0.000 0.000 0.315 126 W C 0.661 177.106 176.519 -0.123 0.000 1.033 126 W CA -0.053 57.195 57.345 -0.161 0.000 1.275 126 W CB 1.869 31.221 29.460 -0.181 0.000 1.250 126 W HN 0.848 nan 8.180 nan 0.000 0.421 127 G N 2.114 110.956 108.800 0.070 0.000 2.364 127 G HA2 0.463 4.423 3.960 -0.000 0.000 0.267 127 G HA3 0.463 4.423 3.960 -0.000 0.000 0.267 127 G C -0.496 174.433 174.900 0.049 0.000 1.233 127 G CA -0.281 44.834 45.100 0.025 0.000 0.885 127 G HN 0.330 nan 8.290 nan 0.000 0.490 128 S N 1.206 116.919 115.700 0.021 0.000 2.536 128 S HA 0.425 4.894 4.470 -0.000 0.000 0.287 128 S C -0.796 173.804 174.600 0.001 0.000 1.101 128 S CA -0.759 57.449 58.200 0.014 0.000 0.950 128 S CB 1.971 65.172 63.200 0.002 0.000 1.056 128 S HN 0.443 nan 8.310 nan 0.000 0.481 129 L N 2.736 123.961 121.223 0.002 0.000 2.315 129 L HA 0.340 4.679 4.340 -0.000 0.000 0.283 129 L C 1.310 178.176 176.870 -0.007 0.000 1.089 129 L CA 0.495 55.334 54.840 -0.001 0.000 0.833 129 L CB 0.323 42.382 42.059 0.000 0.000 1.170 129 L HN 0.936 nan 8.230 nan 0.000 0.442 130 E N 1.445 121.639 120.200 -0.010 0.000 2.216 130 E HA 0.048 4.397 4.350 -0.000 0.000 0.192 130 E C 0.258 176.852 176.600 -0.011 0.000 0.973 130 E CA 0.598 56.990 56.400 -0.012 0.000 0.851 130 E CB 0.607 30.298 29.700 -0.015 0.000 0.804 130 E HN 0.736 nan 8.360 nan 0.000 0.477 131 S N -1.443 114.252 115.700 -0.008 0.000 2.790 131 S HA 0.205 4.675 4.470 -0.000 0.000 0.292 131 S C 0.528 175.122 174.600 -0.009 0.000 1.197 131 S CA -0.715 57.480 58.200 -0.009 0.000 0.851 131 S CB 1.200 64.396 63.200 -0.008 0.000 1.217 131 S HN 0.008 nan 8.310 nan 0.000 0.526 132 K N 1.106 121.498 120.400 -0.013 0.000 2.218 132 K HA -0.141 4.179 4.320 -0.000 0.000 0.205 132 K C 0.285 176.879 176.600 -0.010 0.000 1.046 132 K CA 2.006 58.282 56.287 -0.018 0.000 0.933 132 K CB -0.736 31.750 32.500 -0.022 0.000 0.728 132 K HN 0.808 nan 8.250 nan 0.000 0.454 133 N N -1.107 117.594 118.700 0.001 0.000 2.609 133 N HA 0.080 4.820 4.740 -0.000 0.000 0.251 133 N C -1.407 174.117 175.510 0.023 0.000 1.526 133 N CA -0.634 52.427 53.050 0.018 0.000 0.931 133 N CB 0.896 39.399 38.487 0.027 0.000 1.460 133 N HN -0.111 nan 8.380 nan 0.000 0.526 134 V N 0.450 120.371 119.914 0.012 0.000 2.709 134 V HA 0.736 4.856 4.120 -0.000 0.000 0.308 134 V C -1.252 174.842 176.094 0.000 0.000 1.062 134 V CA -0.696 61.610 62.300 0.010 0.000 0.901 134 V CB 2.075 33.898 31.823 0.000 0.000 1.003 134 V HN 0.156 nan 8.190 nan 0.000 0.425 135 V N 6.472 126.382 119.914 -0.007 0.000 2.577 135 V HA 0.627 4.747 4.120 -0.000 0.000 0.303 135 V C -0.476 175.588 176.094 -0.049 0.000 1.042 135 V CA -0.560 61.728 62.300 -0.020 0.000 0.872 135 V CB 2.067 33.883 31.823 -0.011 0.000 0.998 135 V HN 1.044 nan 8.190 nan 0.000 0.423 136 N N 4.632 123.305 118.700 -0.045 0.000 2.472 136 N HA 0.486 5.226 4.740 -0.000 0.000 0.277 136 N C -0.781 174.689 175.510 -0.066 0.000 1.081 136 N CA -0.659 52.355 53.050 -0.060 0.000 0.973 136 N CB 1.976 40.440 38.487 -0.039 0.000 1.105 136 N HN 0.527 nan 8.380 nan 0.000 0.470 137 V N 2.775 122.624 119.914 -0.107 0.000 2.338 137 V HA 0.146 4.266 4.120 -0.000 0.000 0.255 137 V C 0.774 176.846 176.094 -0.036 0.000 1.082 137 V CA -0.184 62.065 62.300 -0.084 0.000 0.951 137 V CB -0.388 31.348 31.823 -0.145 0.000 1.102 137 V HN 0.639 nan 8.190 nan 0.000 0.489 138 R N 3.087 123.592 120.500 0.008 0.000 2.531 138 R HA 0.282 4.622 4.340 -0.000 0.000 0.260 138 R C 1.349 177.681 176.300 0.053 0.000 1.144 138 R CA -0.271 55.837 56.100 0.013 0.000 1.171 138 R CB 0.780 31.078 30.300 -0.003 0.000 1.199 138 R HN 0.816 nan 8.270 nan 0.000 0.594 139 E N -0.533 119.684 120.200 0.029 0.000 2.472 139 E HA 0.081 4.430 4.350 -0.000 0.000 0.196 139 E C -0.218 176.415 176.600 0.054 0.000 1.033 139 E CA -0.121 56.315 56.400 0.060 0.000 0.886 139 E CB 0.466 30.184 29.700 0.031 0.000 0.944 139 E HN 0.406 nan 8.360 nan 0.000 0.492 140 S N -1.280 114.364 115.700 -0.094 0.000 2.752 140 S HA 0.644 5.114 4.470 -0.000 0.000 0.284 140 S C 0.865 174.959 174.600 -0.844 0.000 1.189 140 S CA -0.375 57.568 58.200 -0.429 0.000 0.835 140 S CB 0.884 63.919 63.200 -0.276 0.000 1.192 140 S HN 0.064 nan 8.310 nan 0.000 0.506 141 A N 0.819 122.819 122.820 -1.366 0.000 1.877 141 A HA 0.087 4.407 4.320 -0.000 0.000 0.216 141 A C 0.924 178.199 177.584 -0.516 0.000 1.186 141 A CA 1.835 53.166 52.037 -1.177 0.000 0.620 141 A CB -1.542 16.726 19.000 -1.220 0.000 0.822 141 A HN 0.951 nan 8.150 nan 0.000 0.443 142 D N 0.251 120.415 120.400 -0.392 0.000 2.451 142 D HA 0.090 4.729 4.640 -0.000 0.000 0.254 142 D C -1.536 174.663 176.300 -0.169 0.000 1.204 142 D CA -1.434 52.431 54.000 -0.225 0.000 0.896 142 D CB 0.802 41.497 40.800 -0.174 0.000 1.136 142 D HN 0.155 nan 8.370 nan 0.000 0.499 143 P HA -0.024 nan 4.420 nan 0.000 0.242 143 P C 0.549 177.809 177.300 -0.068 0.000 1.197 143 P CA 0.341 63.389 63.100 -0.087 0.000 0.765 143 P CB 0.271 31.931 31.700 -0.068 0.000 0.936 144 A N 0.519 123.295 122.820 -0.073 0.000 1.975 144 A HA 0.044 4.364 4.320 -0.000 0.000 0.215 144 A C 1.435 178.986 177.584 -0.055 0.000 1.170 144 A CA 0.555 52.558 52.037 -0.056 0.000 0.656 144 A CB -1.171 17.797 19.000 -0.053 0.000 0.821 144 A HN 0.378 nan 8.150 nan 0.000 0.449 145 S N 0.100 115.757 115.700 -0.071 0.000 2.563 145 S HA 0.368 4.838 4.470 -0.000 0.000 0.269 145 S C 0.529 175.103 174.600 -0.043 0.000 1.364 145 S CA -0.301 57.862 58.200 -0.061 0.000 1.010 145 S CB 0.264 63.411 63.200 -0.088 0.000 0.877 145 S HN 1.335 nan 8.310 nan 0.000 0.549 146 A N 2.064 124.868 122.820 -0.028 0.000 2.548 146 A HA 0.404 4.723 4.320 -0.000 0.000 0.247 146 A C 0.327 177.901 177.584 -0.017 0.000 1.067 146 A CA -0.576 51.450 52.037 -0.018 0.000 0.757 146 A CB -0.516 18.479 19.000 -0.008 0.000 0.996 146 A HN 0.908 nan 8.150 nan 0.000 0.504 147 V N 3.747 123.649 119.914 -0.021 0.000 2.585 147 V HA 0.088 4.208 4.120 -0.000 0.000 0.296 147 V C 1.198 177.279 176.094 -0.020 0.000 1.035 147 V CA 1.075 63.361 62.300 -0.024 0.000 1.084 147 V CB 0.850 32.656 31.823 -0.029 0.000 0.953 147 V HN 1.006 nan 8.190 nan 0.000 0.483 148 K N 2.381 122.766 120.400 -0.025 0.000 2.592 148 K HA 0.666 4.986 4.320 -0.000 0.000 0.203 148 K C -0.289 176.283 176.600 -0.047 0.000 1.070 148 K CA -0.473 55.803 56.287 -0.019 0.000 1.062 148 K CB 1.018 33.520 32.500 0.002 0.000 0.814 148 K HN 0.553 nan 8.250 nan 0.000 0.502 149 E N 0.717 120.869 120.200 -0.079 0.000 2.720 149 E HA 0.207 4.557 4.350 -0.000 0.000 0.298 149 E C -1.912 174.605 176.600 -0.137 0.000 1.150 149 E CA -0.289 56.025 56.400 -0.142 0.000 0.921 149 E CB 1.171 30.703 29.700 -0.280 0.000 1.164 149 E HN 0.276 nan 8.360 nan 0.000 0.447 150 R N 2.881 123.308 120.500 -0.120 0.000 2.409 150 R HA 0.458 4.798 4.340 -0.000 0.000 0.313 150 R C -0.930 175.314 176.300 -0.094 0.000 0.953 150 R CA -0.926 55.118 56.100 -0.093 0.000 0.849 150 R CB 0.852 31.122 30.300 -0.051 0.000 1.171 150 R HN 0.219 nan 8.270 nan 0.000 0.458 151 L N 3.456 124.621 121.223 -0.097 0.000 2.260 151 L HA 0.337 4.677 4.340 -0.000 0.000 0.289 151 L C 0.519 177.425 176.870 0.060 0.000 1.057 151 L CA -0.023 54.817 54.840 0.000 0.000 0.811 151 L CB 0.765 42.808 42.059 -0.028 0.000 1.184 151 L HN 0.550 nan 8.230 nan 0.000 0.429 152 E N 1.565 121.813 120.200 0.080 0.000 2.331 152 E HA 0.503 4.852 4.350 -0.000 0.000 0.272 152 E C -0.163 176.519 176.600 0.136 0.000 1.036 152 E CA -0.063 56.380 56.400 0.072 0.000 0.864 152 E CB 1.512 31.232 29.700 0.032 0.000 1.035 152 E HN 0.559 nan 8.360 nan 0.000 0.408 153 T N 0.782 115.407 114.554 0.118 0.000 2.786 153 T HA 0.105 4.454 4.350 -0.000 0.000 0.316 153 T C -0.351 174.420 174.700 0.118 0.000 1.503 153 T CA -0.620 61.578 62.100 0.164 0.000 1.019 153 T CB 1.317 70.310 68.868 0.209 0.000 1.415 153 T HN 0.377 nan 8.240 nan 0.000 0.496 154 E N 1.127 121.411 120.200 0.140 0.000 2.364 154 E HA 0.214 4.564 4.350 -0.000 0.000 0.196 154 E C -0.124 176.547 176.600 0.119 0.000 0.990 154 E CA 0.426 56.892 56.400 0.110 0.000 0.886 154 E CB 0.342 30.108 29.700 0.109 0.000 0.866 154 E HN 0.536 nan 8.360 nan 0.000 0.493 155 N N -0.202 118.604 118.700 0.175 0.000 2.284 155 N HA 0.487 5.227 4.740 -0.000 0.000 0.289 155 N C -1.015 174.609 175.510 0.191 0.000 1.179 155 N CA -0.488 52.681 53.050 0.199 0.000 0.774 155 N CB 2.511 41.184 38.487 0.310 0.000 1.548 155 N HN -0.174 nan 8.380 nan 0.000 0.473 156 I N 1.322 121.989 120.570 0.163 0.000 2.533 156 I HA 0.381 4.551 4.170 -0.000 0.000 0.290 156 I C -1.451 174.782 176.117 0.194 0.000 1.056 156 I CA -0.880 60.504 61.300 0.140 0.000 1.057 156 I CB 1.941 39.981 38.000 0.068 0.000 1.240 156 I HN 0.246 nan 8.210 nan 0.000 0.423 157 L N 7.366 128.702 121.223 0.188 0.000 2.319 157 L HA 0.513 4.852 4.340 -0.000 0.000 0.281 157 L C -1.218 175.730 176.870 0.130 0.000 1.005 157 L CA -0.486 54.474 54.840 0.199 0.000 0.828 157 L CB 1.259 43.438 42.059 0.201 0.000 1.227 157 L HN 0.360 nan 8.230 nan 0.000 0.415 158 L N 6.101 127.394 121.223 0.117 0.000 2.268 158 L HA 0.584 4.924 4.340 -0.000 0.000 0.289 158 L C 0.587 177.511 176.870 0.090 0.000 1.064 158 L CA 0.086 54.978 54.840 0.086 0.000 0.824 158 L CB 0.713 42.814 42.059 0.071 0.000 1.202 158 L HN 0.799 nan 8.230 nan 0.000 0.433 159 A N 1.598 124.467 122.820 0.082 0.000 3.214 159 A HA 0.378 4.698 4.320 -0.000 0.000 0.304 159 A C 1.044 178.672 177.584 0.073 0.000 0.969 159 A CA 0.046 52.132 52.037 0.082 0.000 0.986 159 A CB -0.016 19.035 19.000 0.084 0.000 1.073 159 A HN 0.613 nan 8.150 nan 0.000 0.487 160 S N -0.789 114.956 115.700 0.075 0.000 2.562 160 S HA 0.409 4.878 4.470 -0.000 0.000 0.221 160 S C 1.376 176.043 174.600 0.111 0.000 0.975 160 S CA 0.812 59.058 58.200 0.076 0.000 0.918 160 S CB -0.371 62.873 63.200 0.073 0.000 0.772 160 S HN 2.161 nan 8.310 nan 0.000 0.531 161 G N 1.409 110.278 108.800 0.114 0.000 2.527 161 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.268 161 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.268 161 G C -0.213 174.787 174.900 0.166 0.000 1.175 161 G CA 0.142 45.324 45.100 0.137 0.000 0.962 161 G HN 1.841 nan 8.290 nan 0.000 0.560 162 S N -1.900 113.930 115.700 0.217 0.000 2.537 162 S HA 0.612 5.082 4.470 -0.000 0.000 0.271 162 S C -1.378 173.426 174.600 0.341 0.000 1.148 162 S CA -0.257 58.088 58.200 0.243 0.000 0.868 162 S CB 2.103 65.404 63.200 0.168 0.000 1.115 162 S HN 1.320 nan 8.310 nan 0.000 0.461 163 W N 1.915 123.287 121.300 0.119 0.000 2.647 163 W HA 0.642 5.302 4.660 -0.000 0.000 0.353 163 W C -2.515 174.083 176.519 0.132 0.000 1.080 163 W CA -1.975 55.449 57.345 0.131 0.000 1.208 163 W CB 0.868 30.414 29.460 0.144 0.000 1.396 163 W HN 0.479 nan 8.180 nan 0.000 0.573 164 P HA -0.111 nan 4.420 nan 0.000 0.265 164 P C -0.819 176.584 177.300 0.171 0.000 1.187 164 P CA 0.583 63.655 63.100 -0.048 0.000 0.766 164 P CB 0.514 32.055 31.700 -0.265 0.000 0.820 165 H N 3.673 122.781 119.070 0.063 0.000 2.504 165 H HA 0.404 4.960 4.556 -0.000 0.000 0.322 165 H C -0.433 174.933 175.328 0.062 0.000 1.055 165 H CA -0.519 55.584 56.048 0.091 0.000 1.231 165 H CB 0.425 30.238 29.762 0.085 0.000 1.417 165 H HN 0.160 nan 8.280 nan 0.000 0.472 166 M N 6.884 126.237 119.600 -0.411 0.000 2.300 166 M HA 0.313 4.792 4.480 -0.000 0.000 0.348 166 M C -2.309 173.696 176.300 -0.492 0.000 1.151 166 M CA -2.530 52.567 55.300 -0.338 0.000 1.046 166 M CB 1.179 33.712 32.600 -0.112 0.000 1.647 166 M HN 0.552 nan 8.290 nan 0.000 0.451 167 P HA 0.096 nan 4.420 nan 0.000 0.272 167 P C -0.747 176.509 177.300 -0.073 0.000 1.240 167 P CA -0.262 62.747 63.100 -0.152 0.000 0.791 167 P CB 0.727 32.384 31.700 -0.072 0.000 0.978 168 N N 1.275 119.966 118.700 -0.015 0.000 2.645 168 N HA 0.315 5.054 4.740 -0.000 0.000 0.233 168 N C -0.835 174.676 175.510 0.002 0.000 1.058 168 N CA -0.308 52.743 53.050 0.002 0.000 0.942 168 N CB -0.079 38.424 38.487 0.026 0.000 1.210 168 N HN 0.331 nan 8.380 nan 0.000 0.512 169 I N 2.996 123.561 120.570 -0.008 0.000 2.545 169 I HA 0.317 4.487 4.170 -0.000 0.000 0.292 169 I C -2.173 173.943 176.117 -0.002 0.000 1.040 169 I CA -2.518 58.778 61.300 -0.006 0.000 1.068 169 I CB 2.585 40.576 38.000 -0.016 0.000 1.251 169 I HN 0.246 nan 8.210 nan 0.000 0.424 170 P HA -0.007 nan 4.420 nan 0.000 0.242 170 P C 0.552 177.874 177.300 0.037 0.000 1.116 170 P CA 0.998 64.108 63.100 0.016 0.000 0.954 170 P CB -0.199 31.510 31.700 0.016 0.000 0.908 171 G N 3.367 112.189 108.800 0.037 0.000 2.134 171 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.209 171 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.209 171 G C 0.758 175.679 174.900 0.034 0.000 0.993 171 G CA -0.047 45.116 45.100 0.105 0.000 0.669 171 G HN 0.507 nan 8.290 nan 0.000 0.519 172 I N 1.152 121.705 120.570 -0.029 0.000 2.530 172 I HA -0.035 4.134 4.170 -0.000 0.000 0.257 172 I C 2.208 178.274 176.117 -0.085 0.000 1.179 172 I CA 2.336 63.610 61.300 -0.043 0.000 1.440 172 I CB -0.100 37.875 38.000 -0.042 0.000 1.087 172 I HN 0.456 nan 8.210 nan 0.000 0.440 173 E N -0.754 119.331 120.200 -0.193 0.000 2.160 173 E HA -0.243 4.107 4.350 -0.000 0.000 0.195 173 E C 1.533 177.986 176.600 -0.245 0.000 0.991 173 E CA 1.703 57.943 56.400 -0.268 0.000 0.810 173 E CB -0.458 28.990 29.700 -0.420 0.000 0.742 173 E HN 0.694 nan 8.360 nan 0.000 0.466 174 H N -1.344 117.717 119.070 -0.014 0.000 2.539 174 H HA 0.230 4.786 4.556 -0.000 0.000 0.267 174 H C -0.169 175.140 175.328 -0.032 0.000 0.982 174 H CA -0.461 55.576 56.048 -0.018 0.000 1.146 174 H CB 0.085 29.835 29.762 -0.019 0.000 1.382 174 H HN 0.071 nan 8.280 nan 0.000 0.577 175 C N 1.318 120.641 119.300 0.038 0.000 2.351 175 C HA 0.518 4.978 4.460 -0.000 0.000 0.359 175 C C 1.174 176.143 174.990 -0.035 0.000 1.193 175 C CA -1.066 57.943 59.018 -0.014 0.000 2.270 175 C CB 0.563 28.279 27.740 -0.040 0.000 2.369 175 C HN 0.513 nan 8.230 nan 0.000 0.553 176 I N 0.522 121.052 120.570 -0.068 0.000 3.861 176 I HA 0.884 5.054 4.170 -0.000 0.000 0.262 176 I C 0.190 176.221 176.117 -0.143 0.000 1.269 176 I CA -0.280 60.965 61.300 -0.091 0.000 1.140 176 I CB 1.391 39.339 38.000 -0.088 0.000 1.424 176 I HN 0.715 nan 8.210 nan 0.000 0.527 177 S N -0.766 114.809 115.700 -0.209 0.000 2.851 177 S HA 0.426 4.896 4.470 -0.000 0.000 0.313 177 S C 0.622 175.000 174.600 -0.371 0.000 1.163 177 S CA -0.027 58.012 58.200 -0.268 0.000 0.850 177 S CB 0.891 63.905 63.200 -0.311 0.000 1.245 177 S HN 0.717 nan 8.310 nan 0.000 0.558 178 S N 2.087 117.561 115.700 -0.377 0.000 2.353 178 S HA -0.177 4.293 4.470 -0.000 0.000 0.222 178 S C 1.627 176.051 174.600 -0.294 0.000 1.035 178 S CA 1.628 59.560 58.200 -0.447 0.000 1.025 178 S CB -1.158 61.953 63.200 -0.148 0.000 0.902 178 S HN 0.697 nan 8.310 nan 0.000 0.440 179 N N 2.209 120.776 118.700 -0.221 0.000 2.021 179 N HA -0.156 4.584 4.740 -0.000 0.000 0.198 179 N C 1.695 177.133 175.510 -0.119 0.000 1.041 179 N CA 1.806 54.734 53.050 -0.204 0.000 0.862 179 N CB -0.554 37.451 38.487 -0.802 0.000 1.048 179 N HN 0.661 nan 8.380 nan 0.000 0.427 180 E N 0.526 120.553 120.200 -0.288 0.000 2.274 180 E HA 0.031 4.381 4.350 -0.000 0.000 0.194 180 E C 1.738 178.392 176.600 0.089 0.000 0.996 180 E CA 0.726 57.135 56.400 0.013 0.000 0.840 180 E CB -0.278 29.405 29.700 -0.029 0.000 0.772 180 E HN 0.339 nan 8.360 nan 0.000 0.491 181 A N 1.123 123.853 122.820 -0.150 0.000 2.019 181 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 181 A C 1.691 179.217 177.584 -0.096 0.000 1.164 181 A CA 0.814 52.724 52.037 -0.211 0.000 0.644 181 A CB -0.768 17.726 19.000 -0.843 0.000 0.805 181 A HN 0.152 nan 8.150 nan 0.000 0.449 182 F N -2.556 117.355 119.950 -0.066 0.000 2.748 182 F HA 0.063 4.590 4.527 -0.000 0.000 0.299 182 F C 0.971 176.446 175.800 -0.540 0.000 1.154 182 F CA 0.729 58.560 58.000 -0.281 0.000 1.446 182 F CB -0.075 38.649 39.000 -0.459 0.000 1.112 182 F HN 0.298 nan 8.300 nan 0.000 0.584 183 Y N -0.811 119.694 120.300 0.342 0.000 2.641 183 Y HA 0.318 4.868 4.550 -0.000 0.000 0.248 183 Y C 0.493 176.563 175.900 0.283 0.000 1.170 183 Y CA -1.088 57.187 58.100 0.291 0.000 1.201 183 Y CB -0.277 38.379 38.460 0.326 0.000 1.232 183 Y HN -0.254 nan 8.280 nan 0.000 0.537 184 L N 4.220 125.690 121.223 0.412 0.000 2.601 184 L HA -0.035 4.305 4.340 -0.000 0.000 0.277 184 L C -0.907 176.242 176.870 0.465 0.000 1.219 184 L CA -0.820 54.263 54.840 0.405 0.000 0.915 184 L CB 0.547 42.861 42.059 0.425 0.000 1.160 184 L HN 0.033 nan 8.230 nan 0.000 0.494 185 P HA -0.150 nan 4.420 nan 0.000 0.219 185 P C -0.094 177.393 177.300 0.313 0.000 1.146 185 P CA 1.357 64.614 63.100 0.261 0.000 0.808 185 P CB 0.240 32.034 31.700 0.157 0.000 0.779 186 E N -1.614 118.710 120.200 0.207 0.000 2.401 186 E HA 0.373 4.723 4.350 -0.000 0.000 0.280 186 E C -3.267 172.979 176.600 -0.591 0.000 1.039 186 E CA -2.490 53.861 56.400 -0.082 0.000 0.814 186 E CB 0.963 30.645 29.700 -0.030 0.000 1.275 186 E HN -0.180 nan 8.360 nan 0.000 0.448 187 P HA 0.198 nan 4.420 nan 0.000 0.276 187 P C -2.245 174.755 177.300 -0.500 0.000 1.235 187 P CA -1.040 61.451 63.100 -1.014 0.000 0.772 187 P CB 0.115 31.320 31.700 -0.825 0.000 0.871 188 P HA 0.147 nan 4.420 nan 0.000 0.269 188 P C 0.781 177.928 177.300 -0.255 0.000 1.209 188 P CA -0.086 62.793 63.100 -0.368 0.000 0.776 188 P CB 1.386 32.774 31.700 -0.520 0.000 0.876 189 R N 1.557 121.963 120.500 -0.158 0.000 2.055 189 R HA 0.051 4.391 4.340 -0.000 0.000 0.221 189 R C 0.339 176.604 176.300 -0.059 0.000 1.154 189 R CA 0.686 56.731 56.100 -0.092 0.000 0.975 189 R CB 0.179 30.442 30.300 -0.062 0.000 0.869 189 R HN 0.384 nan 8.270 nan 0.000 0.437 190 R N 0.450 120.933 120.500 -0.028 0.000 2.229 190 R HA 0.320 4.660 4.340 -0.000 0.000 0.332 190 R C -1.273 175.069 176.300 0.070 0.000 0.989 190 R CA -0.337 55.811 56.100 0.081 0.000 0.842 190 R CB 2.123 32.502 30.300 0.132 0.000 1.119 190 R HN -0.008 nan 8.270 nan 0.000 0.456 191 V N 3.264 123.173 119.914 -0.008 0.000 2.769 191 V HA 0.549 4.669 4.120 -0.000 0.000 0.312 191 V C -0.952 174.914 176.094 -0.381 0.000 1.061 191 V CA -1.096 61.063 62.300 -0.236 0.000 0.931 191 V CB 2.000 33.587 31.823 -0.393 0.000 1.010 191 V HN 0.523 nan 8.190 nan 0.000 0.433 192 L N 3.668 124.522 121.223 -0.614 0.000 2.377 192 L HA 0.645 4.985 4.340 -0.000 0.000 0.270 192 L C 0.289 176.965 176.870 -0.323 0.000 0.991 192 L CA 0.066 54.486 54.840 -0.701 0.000 0.851 192 L CB 1.769 43.028 42.059 -1.334 0.000 1.218 192 L HN 0.886 nan 8.230 nan 0.000 0.420 193 T N 2.155 116.622 114.554 -0.145 0.000 2.747 193 T HA 0.518 4.868 4.350 -0.000 0.000 0.301 193 T C 0.070 174.744 174.700 -0.044 0.000 0.952 193 T CA -0.630 61.438 62.100 -0.054 0.000 0.983 193 T CB 0.517 69.409 68.868 0.041 0.000 0.930 193 T HN 0.299 nan 8.240 nan 0.000 0.494 194 V N 3.714 123.598 119.914 -0.051 0.000 2.488 194 V HA 0.751 4.871 4.120 -0.000 0.000 0.277 194 V C 1.074 177.180 176.094 0.020 0.000 1.046 194 V CA 0.415 62.717 62.300 0.004 0.000 0.986 194 V CB 0.099 31.916 31.823 -0.011 0.000 0.989 194 V HN 1.451 nan 8.190 nan 0.000 0.475 195 G N 3.180 112.021 108.800 0.069 0.000 2.334 195 G HA2 0.429 4.389 3.960 -0.000 0.000 0.566 195 G HA3 0.429 4.389 3.960 -0.000 0.000 0.566 195 G C -0.346 174.480 174.900 -0.123 0.000 1.413 195 G CA -0.445 44.667 45.100 0.019 0.000 0.993 195 G HN 1.155 nan 8.290 nan 0.000 0.642 196 G N -0.428 108.087 108.800 -0.475 0.000 4.519 196 G HA2 0.884 4.843 3.960 -0.000 0.000 0.336 196 G HA3 0.884 4.843 3.960 -0.000 0.000 0.336 196 G C 0.318 174.882 174.900 -0.559 0.000 1.491 196 G CA 0.710 45.246 45.100 -0.940 0.000 1.008 196 G HN 2.233 nan 8.290 nan 0.000 0.515 197 G N 0.386 109.035 108.800 -0.251 0.000 2.301 197 G HA2 0.475 4.435 3.960 -0.000 0.000 0.290 197 G HA3 0.475 4.435 3.960 -0.000 0.000 0.290 197 G C -0.348 174.585 174.900 0.054 0.000 1.669 197 G CA 0.111 45.135 45.100 -0.127 0.000 0.945 197 G HN 1.565 nan 8.290 nan 0.000 0.710 198 F N 0.576 120.423 119.950 -0.170 0.000 2.467 198 F HA -0.365 4.161 4.527 -0.000 0.000 0.706 198 F C 2.110 177.897 175.800 -0.022 0.000 0.741 198 F CA 2.687 60.639 58.000 -0.080 0.000 1.035 198 F CB -1.468 37.533 39.000 0.001 0.000 1.530 198 F HN 0.614 nan 8.300 nan 0.000 0.267 199 I N 0.522 120.789 120.570 -0.505 0.000 2.194 199 I HA -0.327 3.843 4.170 -0.000 0.000 0.246 199 I C 2.622 178.673 176.117 -0.110 0.000 1.093 199 I CA 2.042 63.073 61.300 -0.448 0.000 1.355 199 I CB -0.801 37.014 38.000 -0.307 0.000 1.046 199 I HN 0.563 nan 8.210 nan 0.000 0.413 200 S N 0.317 115.979 115.700 -0.064 0.000 2.348 200 S HA -0.165 4.305 4.470 -0.000 0.000 0.221 200 S C 2.113 176.705 174.600 -0.014 0.000 1.033 200 S CA 1.803 59.989 58.200 -0.024 0.000 1.010 200 S CB -0.392 62.784 63.200 -0.041 0.000 0.891 200 S HN 0.406 nan 8.310 nan 0.000 0.442 201 V N -0.393 119.490 119.914 -0.052 0.000 2.871 201 V HA 0.123 4.243 4.120 -0.000 0.000 0.256 201 V C 1.890 177.941 176.094 -0.072 0.000 1.082 201 V CA 1.750 64.016 62.300 -0.056 0.000 1.105 201 V CB -0.765 31.008 31.823 -0.084 0.000 0.713 201 V HN 0.461 nan 8.190 nan 0.000 0.473 202 E N -0.291 119.842 120.200 -0.112 0.000 2.072 202 E HA -0.048 4.302 4.350 -0.000 0.000 0.190 202 E C 1.846 178.270 176.600 -0.295 0.000 0.982 202 E CA 1.419 57.710 56.400 -0.182 0.000 0.803 202 E CB -0.173 29.378 29.700 -0.249 0.000 0.755 202 E HN 0.677 nan 8.360 nan 0.000 0.453 203 F N 0.630 120.426 119.950 -0.256 0.000 2.456 203 F HA 0.033 4.560 4.527 -0.000 0.000 0.298 203 F C 2.180 177.806 175.800 -0.290 0.000 1.104 203 F CA 0.729 58.490 58.000 -0.399 0.000 1.435 203 F CB -0.094 38.623 39.000 -0.473 0.000 1.078 203 F HN -0.026 nan 8.300 nan 0.000 0.546 204 A N -0.043 122.803 122.820 0.044 0.000 1.933 204 A HA -0.061 4.259 4.320 -0.000 0.000 0.218 204 A C 2.561 180.176 177.584 0.052 0.000 1.175 204 A CA 1.686 53.783 52.037 0.100 0.000 0.628 204 A CB -1.523 17.511 19.000 0.057 0.000 0.814 204 A HN 0.394 nan 8.150 nan 0.000 0.444 205 G N 0.226 109.008 108.800 -0.031 0.000 2.421 205 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.216 205 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.216 205 G C 1.518 176.410 174.900 -0.012 0.000 1.171 205 G CA 1.194 46.273 45.100 -0.035 0.000 0.775 205 G HN 0.488 nan 8.290 nan 0.000 0.543 206 I N -0.334 120.179 120.570 -0.095 0.000 2.252 206 I HA -0.057 4.113 4.170 -0.000 0.000 0.245 206 I C 2.411 178.669 176.117 0.236 0.000 1.102 206 I CA 0.644 61.942 61.300 -0.004 0.000 1.385 206 I CB -0.271 37.553 38.000 -0.294 0.000 1.064 206 I HN -0.002 nan 8.210 nan 0.000 0.414 207 F N 1.297 121.356 119.950 0.182 0.000 2.171 207 F HA -0.193 4.334 4.527 -0.000 0.000 0.300 207 F C 2.374 178.221 175.800 0.078 0.000 1.090 207 F CA 1.272 59.341 58.000 0.116 0.000 1.293 207 F CB -1.254 37.777 39.000 0.052 0.000 1.013 207 F HN 0.151 nan 8.300 nan 0.000 0.486 208 N N 0.460 119.303 118.700 0.239 0.000 2.120 208 N HA -0.152 4.588 4.740 -0.000 0.000 0.188 208 N C 1.837 177.396 175.510 0.083 0.000 1.024 208 N CA 1.593 54.718 53.050 0.124 0.000 0.852 208 N CB -0.336 38.193 38.487 0.071 0.000 1.003 208 N HN 0.156 nan 8.380 nan 0.000 0.424 209 A N -1.225 121.634 122.820 0.065 0.000 1.968 209 A HA -0.033 4.287 4.320 -0.000 0.000 0.217 209 A C 1.230 178.723 177.584 -0.153 0.000 1.169 209 A CA 0.938 52.925 52.037 -0.082 0.000 0.638 209 A CB -0.645 18.238 19.000 -0.194 0.000 0.812 209 A HN 0.478 nan 8.150 nan 0.000 0.446 210 Y N 0.668 121.068 120.300 0.168 0.000 2.485 210 Y HA 0.155 4.705 4.550 -0.000 0.000 0.260 210 Y C 1.086 177.027 175.900 0.067 0.000 1.173 210 Y CA -0.100 58.114 58.100 0.191 0.000 1.252 210 Y CB -0.002 38.713 38.460 0.425 0.000 1.123 210 Y HN 0.370 nan 8.280 nan 0.000 0.524 211 K N 0.997 121.478 120.400 0.135 0.000 2.132 211 K HA 0.200 4.520 4.320 -0.000 0.000 0.240 211 K C -2.360 174.259 176.600 0.031 0.000 1.036 211 K CA -1.425 54.886 56.287 0.040 0.000 0.888 211 K CB 0.311 32.829 32.500 0.030 0.000 1.071 211 K HN -0.145 nan 8.250 nan 0.000 0.502 212 P HA 0.184 nan 4.420 nan 0.000 0.227 212 P C -0.709 176.598 177.300 0.012 0.000 1.801 212 P CA -0.324 62.783 63.100 0.010 0.000 0.971 212 P CB 0.483 32.178 31.700 -0.009 0.000 1.653 213 K N -0.228 120.182 120.400 0.017 0.000 6.035 213 K HA -0.217 4.103 4.320 -0.000 0.000 0.451 213 K C 0.786 177.392 176.600 0.009 0.000 0.399 213 K CA 2.306 58.602 56.287 0.016 0.000 1.899 213 K CB -1.704 30.808 32.500 0.020 0.000 0.814 213 K HN 0.428 nan 8.250 nan 0.000 0.694 214 D N 0.728 121.130 120.400 0.004 0.000 2.328 214 D HA 0.100 4.740 4.640 -0.000 0.000 0.221 214 D C 0.750 177.047 176.300 -0.005 0.000 1.072 214 D CA 0.647 54.647 54.000 -0.001 0.000 0.850 214 D CB -0.218 40.580 40.800 -0.004 0.000 0.922 214 D HN 0.334 nan 8.370 nan 0.000 0.516 215 G N 0.022 108.820 108.800 -0.004 0.000 2.569 215 G HA2 0.356 4.315 3.960 -0.000 0.000 0.249 215 G HA3 0.356 4.315 3.960 -0.000 0.000 0.249 215 G C -0.676 174.228 174.900 0.006 0.000 1.216 215 G CA -0.300 44.795 45.100 -0.007 0.000 0.845 215 G HN 0.260 nan 8.290 nan 0.000 0.568 216 Q N -0.255 119.555 119.800 0.016 0.000 2.268 216 Q HA 0.474 4.814 4.340 -0.000 0.000 0.266 216 Q C -1.198 174.839 176.000 0.062 0.000 1.006 216 Q CA -0.626 55.200 55.803 0.038 0.000 0.824 216 Q CB 2.098 30.861 28.738 0.041 0.000 1.306 216 Q HN 0.508 nan 8.270 nan 0.000 0.424 217 V N 2.689 122.638 119.914 0.059 0.000 2.427 217 V HA 0.751 4.871 4.120 -0.000 0.000 0.286 217 V C -0.401 175.734 176.094 0.069 0.000 1.034 217 V CA -0.581 61.755 62.300 0.060 0.000 0.893 217 V CB 1.729 33.598 31.823 0.077 0.000 0.982 217 V HN 0.878 nan 8.190 nan 0.000 0.452 218 T N 5.772 120.357 114.554 0.052 0.000 2.963 218 T HA 0.413 4.763 4.350 -0.000 0.000 0.328 218 T C -0.500 174.201 174.700 0.001 0.000 1.048 218 T CA -0.222 61.916 62.100 0.062 0.000 1.033 218 T CB 0.935 69.916 68.868 0.188 0.000 1.010 218 T HN 0.567 nan 8.240 nan 0.000 0.469 219 L N 4.197 125.435 121.223 0.026 0.000 2.319 219 L HA 0.604 4.944 4.340 -0.000 0.000 0.280 219 L C 0.223 177.125 176.870 0.053 0.000 1.099 219 L CA -0.432 54.424 54.840 0.028 0.000 0.828 219 L CB 0.119 42.195 42.059 0.028 0.000 1.150 219 L HN 0.897 nan 8.230 nan 0.000 0.442 220 C N 4.847 124.193 119.300 0.077 0.000 2.498 220 C HA 0.603 5.062 4.460 -0.000 0.000 0.316 220 C C -1.019 174.095 174.990 0.207 0.000 1.209 220 C CA -0.785 58.308 59.018 0.126 0.000 1.518 220 C CB 1.112 28.964 27.740 0.186 0.000 2.147 220 C HN 0.771 nan 8.230 nan 0.000 0.483 221 Y N 4.706 125.022 120.300 0.027 0.000 2.406 221 Y HA 0.581 5.131 4.550 -0.000 0.000 0.340 221 Y C 0.874 176.794 175.900 0.032 0.000 0.975 221 Y CA -1.282 56.837 58.100 0.031 0.000 1.056 221 Y CB 1.480 39.951 38.460 0.018 0.000 1.210 221 Y HN 0.907 nan 8.280 nan 0.000 0.448 222 R N 2.060 122.431 120.500 -0.215 0.000 2.386 222 R HA 0.372 4.712 4.340 -0.000 0.000 0.216 222 R C 0.417 176.286 176.300 -0.718 0.000 1.119 222 R CA 0.495 56.397 56.100 -0.330 0.000 1.158 222 R CB -0.449 29.798 30.300 -0.088 0.000 1.057 222 R HN 0.593 nan 8.270 nan 0.000 0.489 223 G N -0.462 107.457 108.800 -1.468 0.000 2.753 223 G HA2 0.101 4.061 3.960 -0.000 0.000 0.285 223 G HA3 0.101 4.061 3.960 -0.000 0.000 0.285 223 G C -0.349 174.310 174.900 -0.401 0.000 1.344 223 G CA -0.585 43.889 45.100 -1.043 0.000 1.050 223 G HN 0.122 nan 8.290 nan 0.000 0.532 224 E N -1.161 118.945 120.200 -0.157 0.000 2.250 224 E HA 0.159 4.509 4.350 -0.000 0.000 0.192 224 E C 0.248 176.859 176.600 0.019 0.000 0.986 224 E CA 0.473 56.846 56.400 -0.045 0.000 0.849 224 E CB 0.177 29.882 29.700 0.009 0.000 0.797 224 E HN 0.352 nan 8.360 nan 0.000 0.482 225 M N 0.816 120.468 119.600 0.087 0.000 2.365 225 M HA 0.236 4.715 4.480 -0.000 0.000 0.288 225 M C -0.450 176.000 176.300 0.250 0.000 1.152 225 M CA -0.568 54.805 55.300 0.121 0.000 0.948 225 M CB 2.198 34.824 32.600 0.042 0.000 1.729 225 M HN -0.067 nan 8.290 nan 0.000 0.487 226 I N 0.829 121.509 120.570 0.184 0.000 3.381 226 I HA 0.143 4.313 4.170 -0.000 0.000 0.275 226 I C 0.202 176.287 176.117 -0.053 0.000 1.252 226 I CA -0.462 60.874 61.300 0.060 0.000 1.292 226 I CB 0.206 38.192 38.000 -0.024 0.000 1.396 226 I HN 0.890 nan 8.210 nan 0.000 0.637 227 L N 0.945 122.063 121.223 -0.175 0.000 3.795 227 L HA -0.219 4.121 4.340 -0.000 0.000 0.489 227 L C 0.296 177.195 176.870 0.048 0.000 1.259 227 L CA 0.230 54.973 54.840 -0.161 0.000 0.765 227 L CB -1.501 40.347 42.059 -0.351 0.000 1.519 227 L HN 0.761 nan 8.230 nan 0.000 0.842 228 R N 0.061 120.585 120.500 0.039 0.000 2.481 228 R HA 0.205 4.545 4.340 -0.000 0.000 0.291 228 R C 1.374 177.787 176.300 0.189 0.000 0.934 228 R CA 0.626 56.801 56.100 0.125 0.000 1.116 228 R CB -0.173 30.206 30.300 0.131 0.000 0.895 228 R HN 0.518 nan 8.270 nan 0.000 0.410 229 G N 1.272 110.154 108.800 0.136 0.000 2.194 229 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.236 229 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.236 229 G C -0.256 174.609 174.900 -0.058 0.000 0.987 229 G CA -0.375 44.757 45.100 0.053 0.000 0.635 229 G HN 0.470 nan 8.290 nan 0.000 0.520 230 F N 1.254 121.164 119.950 -0.067 0.000 2.408 230 F HA 0.578 5.105 4.527 -0.000 0.000 0.325 230 F C 0.806 176.522 175.800 -0.140 0.000 1.082 230 F CA -0.818 57.132 58.000 -0.082 0.000 1.032 230 F CB 0.789 39.746 39.000 -0.071 0.000 1.259 230 F HN 0.081 nan 8.300 nan 0.000 0.503 231 D N 0.155 120.499 120.400 -0.093 0.000 2.525 231 D HA -0.090 4.550 4.640 -0.000 0.000 0.235 231 D C 1.148 177.415 176.300 -0.056 0.000 1.137 231 D CA 0.723 54.596 54.000 -0.212 0.000 0.868 231 D CB 0.410 40.907 40.800 -0.506 0.000 1.180 231 D HN 0.580 nan 8.370 nan 0.000 0.465 232 H N 1.631 120.681 119.070 -0.034 0.000 2.457 232 H HA -0.108 4.448 4.556 -0.000 0.000 0.297 232 H C 1.560 176.898 175.328 0.018 0.000 1.092 232 H CA 1.999 58.055 56.048 0.014 0.000 1.309 232 H CB 0.449 30.228 29.762 0.029 0.000 1.382 232 H HN 0.437 nan 8.280 nan 0.000 0.535 233 T N 0.006 114.632 114.554 0.119 0.000 2.937 233 T HA -0.011 4.339 4.350 -0.000 0.000 0.260 233 T C 2.083 176.801 174.700 0.030 0.000 1.051 233 T CA 0.711 62.863 62.100 0.088 0.000 1.141 233 T CB 0.013 68.931 68.868 0.083 0.000 0.879 233 T HN 0.252 nan 8.240 nan 0.000 0.459 234 L N 0.541 121.770 121.223 0.009 0.000 2.141 234 L HA -0.032 4.308 4.340 -0.000 0.000 0.209 234 L C 2.749 179.601 176.870 -0.030 0.000 1.094 234 L CA 1.312 56.146 54.840 -0.011 0.000 0.763 234 L CB -0.519 41.554 42.059 0.024 0.000 0.908 234 L HN 0.198 nan 8.230 nan 0.000 0.437 235 R N 0.338 120.816 120.500 -0.037 0.000 2.073 235 R HA -0.124 4.216 4.340 -0.000 0.000 0.229 235 R C 2.287 178.562 176.300 -0.042 0.000 1.120 235 R CA 1.429 57.489 56.100 -0.068 0.000 0.967 235 R CB -0.137 30.084 30.300 -0.131 0.000 0.862 235 R HN 0.532 nan 8.270 nan 0.000 0.436 236 E N 0.539 120.736 120.200 -0.006 0.000 2.107 236 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 236 E C 1.549 178.152 176.600 0.006 0.000 0.982 236 E CA 0.668 57.080 56.400 0.020 0.000 0.809 236 E CB -0.077 29.663 29.700 0.067 0.000 0.756 236 E HN 0.209 nan 8.360 nan 0.000 0.459 237 E N 0.991 121.191 120.200 0.000 0.000 2.072 237 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 237 E C 2.121 178.709 176.600 -0.020 0.000 0.985 237 E CA 0.541 56.936 56.400 -0.008 0.000 0.801 237 E CB -0.180 29.509 29.700 -0.018 0.000 0.750 237 E HN 0.215 nan 8.360 nan 0.000 0.452 238 L N 0.892 122.092 121.223 -0.038 0.000 2.093 238 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 238 L C 2.117 178.962 176.870 -0.043 0.000 1.085 238 L CA 1.643 56.453 54.840 -0.049 0.000 0.755 238 L CB -0.685 41.326 42.059 -0.080 0.000 0.904 238 L HN -0.000 nan 8.230 nan 0.000 0.435 239 T N -0.639 113.893 114.554 -0.036 0.000 2.881 239 T HA -0.163 4.187 4.350 -0.000 0.000 0.270 239 T C 1.912 176.593 174.700 -0.032 0.000 1.068 239 T CA 1.354 63.437 62.100 -0.028 0.000 1.131 239 T CB -0.075 68.785 68.868 -0.013 0.000 0.871 239 T HN 0.331 nan 8.240 nan 0.000 0.479 240 K N 0.639 121.022 120.400 -0.028 0.000 2.076 240 K HA 0.022 4.341 4.320 -0.000 0.000 0.204 240 K C 2.423 178.980 176.600 -0.071 0.000 1.051 240 K CA 0.998 57.264 56.287 -0.036 0.000 0.949 240 K CB -0.017 32.477 32.500 -0.010 0.000 0.726 240 K HN 0.330 nan 8.250 nan 0.000 0.443 241 Q N 0.312 120.086 119.800 -0.043 0.000 2.389 241 Q HA 0.068 4.408 4.340 -0.000 0.000 0.204 241 Q C 1.899 177.840 176.000 -0.098 0.000 0.944 241 Q CA 0.301 56.078 55.803 -0.044 0.000 0.908 241 Q CB 0.327 29.126 28.738 0.101 0.000 1.002 241 Q HN 0.240 nan 8.270 nan 0.000 0.493 242 L N 0.054 121.233 121.223 -0.073 0.000 2.068 242 L HA -0.122 4.218 4.340 -0.000 0.000 0.204 242 L C 2.465 179.279 176.870 -0.093 0.000 1.076 242 L CA 1.641 56.440 54.840 -0.067 0.000 0.753 242 L CB -0.602 41.429 42.059 -0.046 0.000 0.910 242 L HN 0.368 nan 8.230 nan 0.000 0.439 243 T N -2.408 112.089 114.554 -0.095 0.000 2.915 243 T HA -0.082 4.268 4.350 -0.000 0.000 0.269 243 T C 1.868 176.467 174.700 -0.167 0.000 1.071 243 T CA 0.837 62.878 62.100 -0.099 0.000 1.132 243 T CB -0.325 68.500 68.868 -0.072 0.000 0.878 243 T HN 0.307 nan 8.240 nan 0.000 0.479 244 A N 2.131 124.787 122.820 -0.274 0.000 1.933 244 A HA -0.052 4.268 4.320 -0.000 0.000 0.218 244 A C 2.176 179.453 177.584 -0.512 0.000 1.175 244 A CA 1.601 53.337 52.037 -0.502 0.000 0.628 244 A CB -0.986 17.454 19.000 -0.932 0.000 0.814 244 A HN 0.634 nan 8.150 nan 0.000 0.444 245 N N -1.694 116.785 118.700 -0.368 0.000 2.398 245 N HA 0.248 4.988 4.740 -0.000 0.000 0.188 245 N C 0.679 176.131 175.510 -0.097 0.000 1.122 245 N CA 0.602 53.542 53.050 -0.184 0.000 0.866 245 N CB 0.145 38.589 38.487 -0.072 0.000 0.970 245 N HN 0.553 nan 8.380 nan 0.000 0.462 246 G N 1.340 110.078 108.800 -0.102 0.000 2.173 246 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.174 246 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.174 246 G C -0.117 174.768 174.900 -0.025 0.000 1.025 246 G CA 0.034 45.100 45.100 -0.056 0.000 0.706 246 G HN 0.364 nan 8.290 nan 0.000 0.499 247 I N -1.848 118.706 120.570 -0.026 0.000 2.336 247 I HA 0.658 4.828 4.170 -0.000 0.000 0.292 247 I C 0.299 176.417 176.117 0.001 0.000 0.991 247 I CA -1.010 60.290 61.300 0.001 0.000 1.227 247 I CB 1.144 39.150 38.000 0.009 0.000 1.366 247 I HN 0.079 nan 8.210 nan 0.000 0.466 248 Q N 6.660 126.472 119.800 0.020 0.000 2.255 248 Q HA 0.299 4.639 4.340 -0.000 0.000 0.280 248 Q C -0.823 175.190 176.000 0.022 0.000 1.068 248 Q CA 0.404 56.221 55.803 0.023 0.000 0.911 248 Q CB 0.995 29.765 28.738 0.054 0.000 1.157 248 Q HN 0.670 nan 8.270 nan 0.000 0.380 249 I N 4.643 125.218 120.570 0.009 0.000 2.371 249 I HA 0.133 4.303 4.170 -0.000 0.000 0.282 249 I C -0.784 175.338 176.117 0.008 0.000 1.031 249 I CA -0.724 60.586 61.300 0.016 0.000 1.180 249 I CB 0.823 38.830 38.000 0.012 0.000 1.336 249 I HN 0.315 nan 8.210 nan 0.000 0.467 250 L N 7.014 128.241 121.223 0.008 0.000 2.282 250 L HA 0.281 4.621 4.340 -0.000 0.000 0.287 250 L C 0.641 177.498 176.870 -0.023 0.000 1.075 250 L CA 0.143 54.961 54.840 -0.037 0.000 0.839 250 L CB 0.789 42.795 42.059 -0.089 0.000 1.219 250 L HN 0.567 nan 8.230 nan 0.000 0.434 251 T N -0.029 114.506 114.554 -0.032 0.000 2.922 251 T HA 0.405 4.755 4.350 -0.000 0.000 0.285 251 T C 0.451 175.092 174.700 -0.098 0.000 1.005 251 T CA -0.946 61.124 62.100 -0.050 0.000 1.061 251 T CB 0.951 69.801 68.868 -0.031 0.000 1.007 251 T HN 0.482 nan 8.240 nan 0.000 0.502 252 K N 0.147 120.458 120.400 -0.148 0.000 3.071 252 K HA -0.142 4.178 4.320 -0.000 0.000 0.265 252 K C -0.404 176.134 176.600 -0.102 0.000 1.060 252 K CA 0.737 56.946 56.287 -0.130 0.000 0.767 252 K CB -0.962 31.480 32.500 -0.097 0.000 1.241 252 K HN 0.642 nan 8.250 nan 0.000 0.486 253 E N 0.732 120.875 120.200 -0.095 0.000 2.234 253 E HA 0.319 4.669 4.350 -0.000 0.000 0.266 253 E C -1.081 175.589 176.600 0.118 0.000 0.877 253 E CA -0.635 55.715 56.400 -0.083 0.000 0.758 253 E CB 1.895 31.377 29.700 -0.363 0.000 1.170 253 E HN 0.302 nan 8.360 nan 0.000 0.415 254 N N 2.943 121.808 118.700 0.274 0.000 2.397 254 N HA 0.318 5.058 4.740 -0.000 0.000 0.291 254 N C -2.771 172.930 175.510 0.318 0.000 1.065 254 N CA -1.910 51.308 53.050 0.280 0.000 0.884 254 N CB 2.080 40.648 38.487 0.135 0.000 1.551 254 N HN -0.050 nan 8.380 nan 0.000 0.487 255 P HA -0.029 nan 4.420 nan 0.000 0.261 255 P C -0.563 176.726 177.300 -0.019 0.000 1.173 255 P CA 0.422 63.466 63.100 -0.094 0.000 0.760 255 P CB 0.974 32.602 31.700 -0.120 0.000 0.783 256 A N 4.045 126.840 122.820 -0.043 0.000 2.026 256 A HA 0.152 4.472 4.320 -0.000 0.000 0.201 256 A C 0.650 178.221 177.584 -0.022 0.000 1.318 256 A CA 0.782 52.816 52.037 -0.006 0.000 0.857 256 A CB 0.150 19.163 19.000 0.021 0.000 0.939 256 A HN 0.486 nan 8.150 nan 0.000 0.476 257 K N 0.337 120.706 120.400 -0.052 0.000 2.651 257 K HA 0.448 4.768 4.320 -0.000 0.000 0.259 257 K C -1.997 174.572 176.600 -0.051 0.000 1.017 257 K CA -0.379 55.888 56.287 -0.033 0.000 0.897 257 K CB 1.833 34.325 32.500 -0.015 0.000 1.262 257 K HN -0.042 nan 8.250 nan 0.000 0.460 258 V N 5.357 125.260 119.914 -0.019 0.000 2.368 258 V HA 0.181 4.301 4.120 -0.000 0.000 0.266 258 V C 0.085 176.203 176.094 0.040 0.000 1.045 258 V CA -0.324 61.976 62.300 0.000 0.000 0.899 258 V CB 0.710 32.559 31.823 0.044 0.000 1.006 258 V HN 0.744 nan 8.190 nan 0.000 0.470 259 E N 5.701 125.877 120.200 -0.041 0.000 2.171 259 E HA 0.421 4.771 4.350 -0.000 0.000 0.271 259 E C -0.763 175.696 176.600 -0.234 0.000 0.916 259 E CA -0.913 55.434 56.400 -0.089 0.000 0.774 259 E CB 2.706 32.377 29.700 -0.050 0.000 1.128 259 E HN 0.564 nan 8.360 nan 0.000 0.403 260 L N 4.650 125.586 121.223 -0.477 0.000 2.456 260 L HA 0.090 4.430 4.340 -0.000 0.000 0.277 260 L C -0.211 176.531 176.870 -0.213 0.000 1.124 260 L CA -0.320 54.244 54.840 -0.460 0.000 0.880 260 L CB 0.112 41.775 42.059 -0.660 0.000 1.192 260 L HN 0.573 nan 8.230 nan 0.000 0.463 261 N N 5.387 123.997 118.700 -0.150 0.000 2.437 261 N HA 0.392 5.132 4.740 -0.000 0.000 0.259 261 N C 0.261 175.725 175.510 -0.078 0.000 0.983 261 N CA 0.287 53.279 53.050 -0.096 0.000 0.937 261 N CB 1.713 40.152 38.487 -0.080 0.000 1.122 261 N HN 0.876 nan 8.380 nan 0.000 0.499 262 A N 3.746 126.530 122.820 -0.061 0.000 5.150 262 A HA -0.399 3.920 4.320 -0.000 0.000 0.324 262 A C 1.147 178.707 177.584 -0.040 0.000 1.862 262 A CA 1.756 53.767 52.037 -0.044 0.000 0.710 262 A CB -2.142 16.834 19.000 -0.040 0.000 1.367 262 A HN 0.907 nan 8.150 nan 0.000 0.380 263 D N 1.271 121.649 120.400 -0.038 0.000 2.421 263 D HA 0.211 4.851 4.640 -0.000 0.000 0.223 263 D C 1.516 177.796 176.300 -0.033 0.000 0.979 263 D CA 2.165 56.146 54.000 -0.032 0.000 0.959 263 D CB -1.122 39.658 40.800 -0.033 0.000 0.874 263 D HN 2.385 nan 8.370 nan 0.000 0.513 264 G N -0.933 107.841 108.800 -0.042 0.000 2.238 264 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.217 264 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.217 264 G C 0.494 175.361 174.900 -0.054 0.000 0.996 264 G CA 0.183 45.258 45.100 -0.042 0.000 0.632 264 G HN 0.488 nan 8.290 nan 0.000 0.503 265 S N 0.363 116.028 115.700 -0.057 0.000 2.549 265 S HA 0.430 4.900 4.470 -0.000 0.000 0.278 265 S C 0.319 174.870 174.600 -0.082 0.000 1.344 265 S CA 0.682 58.844 58.200 -0.063 0.000 1.025 265 S CB 0.730 63.889 63.200 -0.069 0.000 0.851 265 S HN 0.474 nan 8.310 nan 0.000 0.530 266 K N 1.373 121.736 120.400 -0.062 0.000 2.397 266 K HA 0.399 4.719 4.320 -0.000 0.000 0.253 266 K C -1.162 175.405 176.600 -0.056 0.000 0.932 266 K CA -0.178 56.065 56.287 -0.074 0.000 0.795 266 K CB 1.908 34.387 32.500 -0.035 0.000 1.159 266 K HN 0.378 nan 8.250 nan 0.000 0.424 267 S N 1.735 117.386 115.700 -0.080 0.000 2.404 267 S HA 0.266 4.736 4.470 -0.000 0.000 0.309 267 S C -0.535 174.023 174.600 -0.070 0.000 1.076 267 S CA -0.777 57.377 58.200 -0.077 0.000 1.095 267 S CB 0.546 63.700 63.200 -0.076 0.000 0.972 267 S HN 0.264 nan 8.310 nan 0.000 0.484 268 V N 4.496 124.371 119.914 -0.064 0.000 2.334 268 V HA 0.212 4.332 4.120 -0.000 0.000 0.267 268 V C 0.523 176.459 176.094 -0.263 0.000 1.040 268 V CA -0.422 61.776 62.300 -0.170 0.000 0.866 268 V CB 0.773 32.478 31.823 -0.196 0.000 1.019 268 V HN 0.764 nan 8.190 nan 0.000 0.468 269 T N 6.710 121.156 114.554 -0.180 0.000 2.761 269 T HA 0.457 4.806 4.350 -0.000 0.000 0.296 269 T C -0.144 174.460 174.700 -0.160 0.000 0.934 269 T CA 0.111 62.156 62.100 -0.092 0.000 1.091 269 T CB -0.025 68.832 68.868 -0.019 0.000 0.896 269 T HN 0.281 nan 8.240 nan 0.000 0.515 270 F N 2.080 122.056 119.950 0.044 0.000 2.399 270 F HA 0.212 4.739 4.527 -0.000 0.000 0.342 270 F C 1.975 177.789 175.800 0.024 0.000 1.106 270 F CA -0.971 57.052 58.000 0.038 0.000 1.196 270 F CB 0.616 39.640 39.000 0.041 0.000 1.163 270 F HN 0.674 nan 8.300 nan 0.000 0.547 271 E N -0.747 119.569 120.200 0.194 0.000 2.267 271 E HA -0.146 4.204 4.350 -0.000 0.000 0.197 271 E C 0.666 177.331 176.600 0.109 0.000 0.998 271 E CA 1.265 57.734 56.400 0.115 0.000 0.830 271 E CB -0.379 29.372 29.700 0.084 0.000 0.751 271 E HN 0.486 nan 8.360 nan 0.000 0.491 272 S N 0.608 116.396 115.700 0.146 0.000 2.871 272 S HA 0.342 4.811 4.470 -0.000 0.000 0.254 272 S C 1.299 175.940 174.600 0.069 0.000 1.088 272 S CA -0.096 58.148 58.200 0.073 0.000 1.166 272 S CB 0.062 63.272 63.200 0.016 0.000 0.826 272 S HN 0.618 nan 8.310 nan 0.000 0.471 273 G N 2.329 111.182 108.800 0.088 0.000 4.236 273 G HA2 -0.435 3.525 3.960 -0.000 0.000 0.222 273 G HA3 -0.435 3.525 3.960 -0.000 0.000 0.222 273 G C 0.272 175.242 174.900 0.116 0.000 1.354 273 G CA 0.593 45.739 45.100 0.076 0.000 0.966 273 G HN 0.678 nan 8.290 nan 0.000 0.624 274 K N 1.734 122.206 120.400 0.120 0.000 2.600 274 K HA 0.159 4.479 4.320 -0.000 0.000 0.280 274 K C 0.217 177.012 176.600 0.325 0.000 0.971 274 K CA 1.123 57.507 56.287 0.161 0.000 1.053 274 K CB 0.168 32.682 32.500 0.023 0.000 0.856 274 K HN 0.571 nan 8.250 nan 0.000 0.495 275 K N 4.243 124.770 120.400 0.212 0.000 2.316 275 K HA 0.399 4.719 4.320 -0.000 0.000 0.251 275 K C -0.970 175.711 176.600 0.136 0.000 0.934 275 K CA -0.667 55.722 56.287 0.171 0.000 0.802 275 K CB 1.130 33.664 32.500 0.057 0.000 1.171 275 K HN 0.550 nan 8.250 nan 0.000 0.426 276 M N 1.828 121.481 119.600 0.088 0.000 2.631 276 M HA 0.289 4.769 4.480 -0.000 0.000 0.288 276 M C -1.569 174.518 176.300 -0.355 0.000 1.260 276 M CA -0.942 54.292 55.300 -0.109 0.000 0.842 276 M CB 2.363 34.973 32.600 0.017 0.000 1.743 276 M HN 0.581 nan 8.290 nan 0.000 0.461 277 D N 0.736 120.778 120.400 -0.596 0.000 2.278 277 D HA 0.706 5.346 4.640 -0.000 0.000 0.245 277 D C -1.607 174.212 176.300 -0.802 0.000 1.052 277 D CA 0.301 54.001 54.000 -0.500 0.000 0.834 277 D CB 1.254 41.887 40.800 -0.277 0.000 1.194 277 D HN 0.170 nan 8.370 nan 0.000 0.481 278 F N 0.402 120.318 119.950 -0.058 0.000 2.629 278 F HA 0.327 4.854 4.527 -0.000 0.000 0.316 278 F C 1.061 176.807 175.800 -0.090 0.000 1.081 278 F CA -0.814 57.144 58.000 -0.071 0.000 0.954 278 F CB 1.590 40.545 39.000 -0.075 0.000 1.337 278 F HN 0.145 nan 8.300 nan 0.000 0.474 279 D N 0.436 120.902 120.400 0.109 0.000 2.355 279 D HA 0.164 4.804 4.640 -0.000 0.000 0.206 279 D C -0.394 175.884 176.300 -0.036 0.000 1.010 279 D CA 0.884 54.884 54.000 -0.001 0.000 0.875 279 D CB 0.952 41.723 40.800 -0.047 0.000 0.966 279 D HN 0.119 nan 8.370 nan 0.000 0.512 280 L N 0.827 122.018 121.223 -0.053 0.000 2.505 280 L HA 0.323 4.663 4.340 -0.000 0.000 0.266 280 L C -1.604 175.162 176.870 -0.173 0.000 0.954 280 L CA -0.831 53.928 54.840 -0.135 0.000 0.852 280 L CB 2.241 44.144 42.059 -0.260 0.000 1.282 280 L HN -0.347 nan 8.230 nan 0.000 0.403 281 V N 5.659 125.490 119.914 -0.138 0.000 2.384 281 V HA 0.538 4.658 4.120 -0.000 0.000 0.287 281 V C 0.080 176.084 176.094 -0.149 0.000 1.020 281 V CA -0.381 61.812 62.300 -0.178 0.000 0.850 281 V CB 1.491 33.241 31.823 -0.121 0.000 0.987 281 V HN 0.864 nan 8.190 nan 0.000 0.436 282 M N 6.151 125.654 119.600 -0.161 0.000 2.167 282 M HA 0.536 5.016 4.480 -0.000 0.000 0.333 282 M C -0.963 175.263 176.300 -0.123 0.000 1.030 282 M CA -0.550 54.667 55.300 -0.137 0.000 0.963 282 M CB 1.345 33.876 32.600 -0.115 0.000 1.589 282 M HN 0.477 nan 8.290 nan 0.000 0.431 283 M N 4.157 123.685 119.600 -0.119 0.000 2.120 283 M HA 0.334 4.814 4.480 -0.000 0.000 0.354 283 M C -0.011 176.229 176.300 -0.101 0.000 1.287 283 M CA 0.042 55.283 55.300 -0.098 0.000 1.103 283 M CB 0.692 33.236 32.600 -0.095 0.000 1.623 283 M HN 0.811 nan 8.290 nan 0.000 0.471 284 A N 4.124 126.904 122.820 -0.067 0.000 2.806 284 A HA 0.365 4.685 4.320 -0.000 0.000 0.266 284 A C 0.915 178.498 177.584 -0.001 0.000 0.926 284 A CA -0.411 51.596 52.037 -0.051 0.000 1.068 284 A CB -0.454 18.507 19.000 -0.065 0.000 1.189 284 A HN 0.931 nan 8.150 nan 0.000 0.481 285 I N -3.923 116.656 120.570 0.015 0.000 3.059 285 I HA 0.523 4.693 4.170 -0.000 0.000 0.270 285 I C 0.815 177.008 176.117 0.127 0.000 1.238 285 I CA 0.674 62.015 61.300 0.067 0.000 1.478 285 I CB 0.298 38.334 38.000 0.060 0.000 1.097 285 I HN 0.311 nan 8.210 nan 0.000 0.455 286 G N 0.450 109.333 108.800 0.139 0.000 2.349 286 G HA2 0.519 4.478 3.960 -0.000 0.000 0.294 286 G HA3 0.519 4.478 3.960 -0.000 0.000 0.294 286 G C -1.658 173.354 174.900 0.186 0.000 1.380 286 G CA -1.037 44.175 45.100 0.186 0.000 0.811 286 G HN 0.086 nan 8.290 nan 0.000 0.519 287 R N -0.549 120.051 120.500 0.167 0.000 2.744 287 R HA 0.780 5.119 4.340 -0.000 0.000 0.279 287 R C -1.164 175.216 176.300 0.133 0.000 0.977 287 R CA -0.705 55.489 56.100 0.156 0.000 0.906 287 R CB 2.372 32.754 30.300 0.137 0.000 1.197 287 R HN 0.491 nan 8.270 nan 0.000 0.463 288 S N 2.276 118.068 115.700 0.154 0.000 2.547 288 S HA 0.420 4.890 4.470 -0.000 0.000 0.281 288 S C -2.706 171.980 174.600 0.144 0.000 1.118 288 S CA -1.363 56.900 58.200 0.106 0.000 0.947 288 S CB 2.334 65.566 63.200 0.054 0.000 1.053 288 S HN 0.363 nan 8.310 nan 0.000 0.482 289 P HA 0.044 nan 4.420 nan 0.000 0.263 289 P C -0.196 177.184 177.300 0.132 0.000 1.168 289 P CA 0.244 63.410 63.100 0.110 0.000 0.759 289 P CB 0.282 32.025 31.700 0.071 0.000 0.782 290 R N 2.122 122.712 120.500 0.151 0.000 3.907 290 R HA 0.040 4.380 4.340 -0.000 0.000 0.241 290 R C 1.308 177.665 176.300 0.095 0.000 1.784 290 R CA 0.159 56.345 56.100 0.143 0.000 1.509 290 R CB -0.620 29.781 30.300 0.168 0.000 1.275 290 R HN 0.523 nan 8.270 nan 0.000 0.642 291 T N 1.126 115.728 114.554 0.079 0.000 2.652 291 T HA -0.206 4.144 4.350 -0.000 0.000 0.267 291 T C 1.114 175.841 174.700 0.045 0.000 1.039 291 T CA 1.499 63.633 62.100 0.056 0.000 1.153 291 T CB 0.110 69.005 68.868 0.045 0.000 0.863 291 T HN 0.433 nan 8.240 nan 0.000 0.428 292 K N 0.522 120.948 120.400 0.043 0.000 2.279 292 K HA -0.276 4.044 4.320 -0.000 0.000 0.148 292 K C 0.595 177.201 176.600 0.009 0.000 0.794 292 K CA 2.439 58.742 56.287 0.025 0.000 0.699 292 K CB -1.011 31.504 32.500 0.026 0.000 0.597 292 K HN 0.500 nan 8.250 nan 0.000 0.890 293 D N 0.263 120.671 120.400 0.014 0.000 2.587 293 D HA 0.170 4.810 4.640 -0.000 0.000 0.233 293 D C 0.470 176.786 176.300 0.027 0.000 1.213 293 D CA -0.128 53.869 54.000 -0.006 0.000 0.827 293 D CB 0.283 41.050 40.800 -0.055 0.000 1.006 293 D HN 0.062 nan 8.370 nan 0.000 0.490 294 L N 0.189 121.431 121.223 0.031 0.000 2.509 294 L HA 0.086 4.426 4.340 -0.000 0.000 0.222 294 L C 0.514 177.394 176.870 0.015 0.000 1.123 294 L CA 0.623 55.483 54.840 0.033 0.000 0.856 294 L CB -0.437 41.644 42.059 0.038 0.000 0.985 294 L HN 0.029 nan 8.230 nan 0.000 0.456 295 Q N -0.824 118.979 119.800 0.004 0.000 2.478 295 Q HA -0.238 4.102 4.340 -0.000 0.000 0.286 295 Q C 1.292 177.291 176.000 -0.002 0.000 1.299 295 Q CA 0.537 56.338 55.803 -0.004 0.000 0.826 295 Q CB -2.229 26.504 28.738 -0.008 0.000 1.199 295 Q HN 0.409 nan 8.270 nan 0.000 0.451 296 L N 0.081 121.306 121.223 0.002 0.000 2.083 296 L HA -0.240 4.100 4.340 -0.000 0.000 0.209 296 L C 2.686 179.553 176.870 -0.004 0.000 1.083 296 L CA 2.076 56.916 54.840 0.001 0.000 0.752 296 L CB -0.489 41.573 42.059 0.006 0.000 0.899 296 L HN 0.486 nan 8.230 nan 0.000 0.433 297 Q N 0.399 120.196 119.800 -0.005 0.000 2.181 297 Q HA -0.254 4.086 4.340 -0.000 0.000 0.205 297 Q C 1.463 177.457 176.000 -0.010 0.000 0.980 297 Q CA 2.021 57.820 55.803 -0.007 0.000 0.862 297 Q CB -0.889 27.845 28.738 -0.007 0.000 0.905 297 Q HN 0.450 nan 8.270 nan 0.000 0.429 298 N N 1.714 120.408 118.700 -0.010 0.000 2.192 298 N HA -0.103 4.637 4.740 -0.000 0.000 0.188 298 N C 1.566 177.068 175.510 -0.012 0.000 1.013 298 N CA 2.158 55.201 53.050 -0.011 0.000 0.863 298 N CB -0.331 38.149 38.487 -0.011 0.000 0.990 298 N HN 0.537 nan 8.380 nan 0.000 0.430 299 A N -1.117 121.695 122.820 -0.013 0.000 2.115 299 A HA 0.496 4.815 4.320 -0.000 0.000 0.211 299 A C 1.309 178.881 177.584 -0.019 0.000 1.169 299 A CA 0.664 52.691 52.037 -0.017 0.000 0.787 299 A CB -0.065 18.923 19.000 -0.019 0.000 0.858 299 A HN 0.280 nan 8.150 nan 0.000 0.474 300 G N -0.565 108.226 108.800 -0.016 0.000 2.203 300 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.231 300 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.231 300 G C -0.054 174.836 174.900 -0.017 0.000 1.058 300 G CA -0.012 45.079 45.100 -0.015 0.000 0.781 300 G HN 0.755 nan 8.290 nan 0.000 0.496 301 V N 0.639 120.545 119.914 -0.015 0.000 2.649 301 V HA 0.618 4.737 4.120 -0.000 0.000 0.292 301 V C 0.938 177.028 176.094 -0.006 0.000 1.055 301 V CA -0.082 62.210 62.300 -0.014 0.000 1.023 301 V CB 1.721 33.537 31.823 -0.011 0.000 0.992 301 V HN 0.443 nan 8.190 nan 0.000 0.480 302 M N 4.207 123.804 119.600 -0.005 0.000 2.238 302 M HA 0.485 4.965 4.480 -0.000 0.000 0.350 302 M C -0.926 175.377 176.300 0.004 0.000 1.138 302 M CA -0.506 54.794 55.300 -0.001 0.000 1.040 302 M CB 1.384 33.983 32.600 -0.002 0.000 1.639 302 M HN 0.436 nan 8.290 nan 0.000 0.451 303 I N 4.381 124.954 120.570 0.006 0.000 2.395 303 I HA 0.145 4.315 4.170 -0.000 0.000 0.289 303 I C 1.039 177.159 176.117 0.006 0.000 1.023 303 I CA 0.108 61.413 61.300 0.008 0.000 1.350 303 I CB 0.830 38.836 38.000 0.009 0.000 1.409 303 I HN 0.610 nan 8.210 nan 0.000 0.507 304 K N 4.243 124.646 120.400 0.006 0.000 1.992 304 K HA 0.084 4.404 4.320 -0.000 0.000 0.210 304 K C -0.197 176.405 176.600 0.003 0.000 1.036 304 K CA 1.303 57.592 56.287 0.003 0.000 0.946 304 K CB -0.106 32.395 32.500 0.001 0.000 0.742 304 K HN 0.857 nan 8.250 nan 0.000 0.442 305 N N -2.458 116.243 118.700 0.002 0.000 2.371 305 N HA 0.408 5.148 4.740 -0.000 0.000 0.280 305 N C 0.350 175.861 175.510 0.002 0.000 1.084 305 N CA -0.044 53.006 53.050 0.001 0.000 0.892 305 N CB 1.472 39.959 38.487 -0.001 0.000 1.653 305 N HN 0.241 nan 8.380 nan 0.000 0.480 306 G N 0.620 109.420 108.800 0.000 0.000 5.218 306 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.342 306 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.342 306 G C 0.414 175.325 174.900 0.018 0.000 1.391 306 G CA 0.647 45.750 45.100 0.004 0.000 1.096 306 G HN 1.134 nan 8.290 nan 0.000 0.831 307 G N -1.104 107.708 108.800 0.020 0.000 2.667 307 G HA2 0.653 4.613 3.960 -0.000 0.000 0.310 307 G HA3 0.653 4.613 3.960 -0.000 0.000 0.310 307 G C -0.108 174.806 174.900 0.022 0.000 1.259 307 G CA 0.170 45.287 45.100 0.028 0.000 1.019 307 G HN 1.162 nan 8.290 nan 0.000 0.496 308 V N 1.125 121.056 119.914 0.028 0.000 2.539 308 V HA 0.032 4.152 4.120 -0.000 0.000 0.300 308 V C 0.839 176.946 176.094 0.021 0.000 1.019 308 V CA 0.332 62.647 62.300 0.025 0.000 1.160 308 V CB 0.187 32.030 31.823 0.034 0.000 0.901 308 V HN 0.813 nan 8.190 nan 0.000 0.481 309 Q N 4.532 124.341 119.800 0.015 0.000 2.286 309 Q HA 0.662 5.002 4.340 -0.000 0.000 0.257 309 Q C -1.121 174.891 176.000 0.021 0.000 0.941 309 Q CA -0.463 55.348 55.803 0.013 0.000 0.912 309 Q CB 1.834 30.577 28.738 0.008 0.000 1.192 309 Q HN 0.466 nan 8.270 nan 0.000 0.410 310 V N 3.139 123.068 119.914 0.026 0.000 2.932 310 V HA 0.178 4.298 4.120 -0.000 0.000 0.307 310 V C -0.904 175.218 176.094 0.048 0.000 1.147 310 V CA -0.615 61.713 62.300 0.047 0.000 0.951 310 V CB 2.294 34.153 31.823 0.061 0.000 1.031 310 V HN 1.135 nan 8.190 nan 0.000 0.426 311 D N 2.926 123.371 120.400 0.075 0.000 2.403 311 D HA 0.147 4.786 4.640 -0.000 0.000 0.278 311 D C 0.889 177.227 176.300 0.063 0.000 1.230 311 D CA -0.001 54.047 54.000 0.079 0.000 1.062 311 D CB 0.585 41.458 40.800 0.123 0.000 1.119 311 D HN 0.537 nan 8.370 nan 0.000 0.557 312 E N -1.608 118.614 120.200 0.037 0.000 2.106 312 E HA -0.150 4.199 4.350 -0.000 0.000 0.192 312 E C 1.216 177.668 176.600 -0.247 0.000 0.984 312 E CA 1.015 57.345 56.400 -0.117 0.000 0.806 312 E CB -0.303 29.250 29.700 -0.245 0.000 0.750 312 E HN 0.429 nan 8.360 nan 0.000 0.458 313 Y N 0.233 120.575 120.300 0.069 0.000 2.462 313 Y HA 0.136 4.686 4.550 -0.000 0.000 0.293 313 Y C 0.288 176.244 175.900 0.093 0.000 1.195 313 Y CA 0.086 58.224 58.100 0.064 0.000 1.276 313 Y CB 0.161 38.651 38.460 0.051 0.000 1.082 313 Y HN -0.196 nan 8.280 nan 0.000 0.514 314 S N 1.234 117.037 115.700 0.171 0.000 3.783 314 S HA -0.192 4.278 4.470 -0.000 0.000 0.360 314 S C -0.174 174.583 174.600 0.263 0.000 1.006 314 S CA 0.553 58.856 58.200 0.172 0.000 1.115 314 S CB -1.561 61.726 63.200 0.144 0.000 0.893 314 S HN 0.652 nan 8.310 nan 0.000 0.475 315 R N -0.704 119.944 120.500 0.246 0.000 2.744 315 R HA 0.688 5.028 4.340 -0.000 0.000 0.279 315 R C -0.109 176.228 176.300 0.062 0.000 0.977 315 R CA -0.753 55.469 56.100 0.202 0.000 0.906 315 R CB 0.576 31.028 30.300 0.254 0.000 1.197 315 R HN 0.162 nan 8.270 nan 0.000 0.463 316 T N -0.274 114.268 114.554 -0.021 0.000 2.770 316 T HA 0.066 4.416 4.350 -0.000 0.000 0.281 316 T C 1.371 176.044 174.700 -0.045 0.000 0.981 316 T CA -0.198 61.886 62.100 -0.027 0.000 0.955 316 T CB 0.344 69.188 68.868 -0.040 0.000 1.060 316 T HN 0.688 nan 8.240 nan 0.000 0.531 317 N N -0.056 118.626 118.700 -0.031 0.000 2.037 317 N HA -0.143 4.597 4.740 -0.000 0.000 0.196 317 N C 0.308 175.785 175.510 -0.055 0.000 1.034 317 N CA 0.836 53.867 53.050 -0.032 0.000 0.861 317 N CB -1.036 37.438 38.487 -0.022 0.000 1.039 317 N HN 0.395 nan 8.380 nan 0.000 0.427 318 V N 1.649 121.521 119.914 -0.069 0.000 2.493 318 V HA -0.040 4.080 4.120 -0.000 0.000 0.292 318 V C 1.289 177.294 176.094 -0.148 0.000 1.016 318 V CA 0.293 62.539 62.300 -0.089 0.000 1.097 318 V CB 0.913 32.686 31.823 -0.083 0.000 0.947 318 V HN 0.481 nan 8.190 nan 0.000 0.479 319 S N 3.020 118.640 115.700 -0.132 0.000 2.515 319 S HA -0.092 4.378 4.470 -0.000 0.000 0.231 319 S C 1.123 175.571 174.600 -0.253 0.000 0.987 319 S CA 0.669 58.774 58.200 -0.158 0.000 0.936 319 S CB -0.332 62.815 63.200 -0.089 0.000 0.766 319 S HN 0.928 nan 8.310 nan 0.000 0.528 320 N N 1.063 119.610 118.700 -0.255 0.000 2.234 320 N HA 0.249 4.989 4.740 -0.000 0.000 0.227 320 N C -0.335 174.930 175.510 -0.407 0.000 1.151 320 N CA -0.347 52.539 53.050 -0.272 0.000 0.865 320 N CB -0.059 38.374 38.487 -0.089 0.000 1.066 320 N HN 0.434 nan 8.380 nan 0.000 0.515 321 I N 0.910 121.153 120.570 -0.545 0.000 2.433 321 I HA 0.403 4.573 4.170 -0.000 0.000 0.292 321 I C -1.019 174.732 176.117 -0.609 0.000 1.001 321 I CA -1.004 60.048 61.300 -0.412 0.000 1.119 321 I CB 1.133 39.031 38.000 -0.171 0.000 1.289 321 I HN -0.158 nan 8.210 nan 0.000 0.438 322 Y N 3.688 124.010 120.300 0.037 0.000 2.602 322 Y HA 0.855 5.404 4.550 -0.000 0.000 0.342 322 Y C 0.039 175.971 175.900 0.053 0.000 1.029 322 Y CA -1.101 57.026 58.100 0.045 0.000 1.080 322 Y CB 1.934 40.425 38.460 0.052 0.000 1.284 322 Y HN 0.584 nan 8.280 nan 0.000 0.485 323 A N 1.737 124.688 122.820 0.217 0.000 2.549 323 A HA 0.894 5.214 4.320 -0.000 0.000 0.297 323 A C -1.277 176.385 177.584 0.130 0.000 1.061 323 A CA -0.659 51.465 52.037 0.145 0.000 0.690 323 A CB 1.231 20.290 19.000 0.097 0.000 1.287 323 A HN 0.794 nan 8.150 nan 0.000 0.402 324 I N -1.432 119.206 120.570 0.113 0.000 3.264 324 I HA 0.929 5.099 4.170 -0.000 0.000 0.315 324 I C 0.667 176.839 176.117 0.092 0.000 1.154 324 I CA -0.389 60.973 61.300 0.104 0.000 0.962 324 I CB 1.750 39.814 38.000 0.106 0.000 1.265 324 I HN 1.891 nan 8.210 nan 0.000 0.463 325 G N 2.404 111.261 108.800 0.094 0.000 2.536 325 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.280 325 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.280 325 G C 0.050 174.995 174.900 0.076 0.000 1.152 325 G CA 0.894 46.047 45.100 0.088 0.000 0.970 325 G HN 0.800 nan 8.290 nan 0.000 0.549 326 D N -0.428 120.021 120.400 0.081 0.000 2.327 326 D HA 0.242 4.882 4.640 -0.000 0.000 0.205 326 D C 2.317 178.663 176.300 0.076 0.000 0.989 326 D CA 0.894 54.942 54.000 0.080 0.000 0.873 326 D CB 0.391 41.251 40.800 0.101 0.000 0.955 326 D HN 0.390 nan 8.370 nan 0.000 0.515 327 V N 1.030 120.991 119.914 0.079 0.000 3.041 327 V HA -0.119 4.001 4.120 -0.000 0.000 0.260 327 V C 1.999 178.126 176.094 0.054 0.000 1.105 327 V CA 2.079 64.423 62.300 0.073 0.000 1.125 327 V CB -0.560 31.310 31.823 0.078 0.000 0.730 327 V HN 0.328 nan 8.190 nan 0.000 0.479 328 T N -2.500 112.082 114.554 0.047 0.000 3.085 328 T HA -0.047 4.302 4.350 -0.000 0.000 0.263 328 T C 1.244 175.947 174.700 0.004 0.000 1.127 328 T CA 0.677 62.792 62.100 0.025 0.000 1.103 328 T CB -0.491 68.388 68.868 0.019 0.000 0.921 328 T HN 0.471 nan 8.240 nan 0.000 0.510 329 N N 0.856 119.564 118.700 0.014 0.000 2.727 329 N HA -0.170 4.570 4.740 -0.000 0.000 0.249 329 N C 0.326 175.817 175.510 -0.032 0.000 1.048 329 N CA 0.538 53.591 53.050 0.004 0.000 0.714 329 N CB -1.045 37.446 38.487 0.006 0.000 0.959 329 N HN 0.627 nan 8.380 nan 0.000 0.544 330 R N -1.090 119.375 120.500 -0.057 0.000 1.357 330 R HA 0.458 4.798 4.340 -0.000 0.000 0.099 330 R C 0.094 176.338 176.300 -0.094 0.000 1.519 330 R CA 0.500 56.513 56.100 -0.145 0.000 1.981 330 R CB 0.031 30.162 30.300 -0.282 0.000 1.068 330 R HN 0.008 nan 8.270 nan 0.000 0.638 331 V N 2.447 122.318 119.914 -0.070 0.000 2.432 331 V HA 0.238 4.358 4.120 -0.000 0.000 0.275 331 V C 0.118 176.232 176.094 0.033 0.000 1.043 331 V CA 0.065 62.371 62.300 0.011 0.000 0.925 331 V CB 1.396 33.276 31.823 0.093 0.000 0.985 331 V HN 0.466 nan 8.190 nan 0.000 0.466 332 M N 6.405 126.017 119.600 0.019 0.000 3.176 332 M HA 0.390 4.870 4.480 -0.000 0.000 0.284 332 M C -1.299 175.025 176.300 0.040 0.000 1.392 332 M CA -0.086 55.239 55.300 0.042 0.000 1.520 332 M CB 0.081 32.712 32.600 0.052 0.000 1.100 332 M HN 0.385 nan 8.290 nan 0.000 0.555 333 L N 0.383 121.640 121.223 0.056 0.000 2.472 333 L HA 0.378 4.718 4.340 -0.000 0.000 0.260 333 L C 0.998 177.912 176.870 0.074 0.000 0.963 333 L CA 0.094 54.970 54.840 0.059 0.000 0.829 333 L CB 2.220 44.302 42.059 0.038 0.000 1.348 333 L HN 0.318 nan 8.230 nan 0.000 0.408 334 T N 2.357 116.960 114.554 0.081 0.000 2.652 334 T HA -0.050 4.300 4.350 -0.000 0.000 0.267 334 T C -1.308 173.428 174.700 0.061 0.000 1.039 334 T CA 2.070 64.214 62.100 0.073 0.000 1.153 334 T CB -0.601 68.309 68.868 0.070 0.000 0.863 334 T HN 0.585 nan 8.240 nan 0.000 0.428 335 P HA 0.096 nan 4.420 nan 0.000 0.230 335 P C 1.348 178.669 177.300 0.034 0.000 1.158 335 P CA 0.569 63.694 63.100 0.041 0.000 0.769 335 P CB -0.197 31.525 31.700 0.037 0.000 0.807 336 V N 0.584 120.525 119.914 0.045 0.000 2.488 336 V HA -0.085 4.035 4.120 -0.000 0.000 0.246 336 V C 2.762 178.898 176.094 0.070 0.000 1.046 336 V CA 1.897 64.226 62.300 0.050 0.000 1.053 336 V CB -1.572 30.309 31.823 0.098 0.000 0.679 336 V HN 0.087 nan 8.190 nan 0.000 0.458 337 A N -0.101 122.766 122.820 0.079 0.000 1.968 337 A HA -0.032 4.288 4.320 -0.000 0.000 0.217 337 A C 2.148 179.774 177.584 0.070 0.000 1.169 337 A CA 1.279 53.366 52.037 0.084 0.000 0.638 337 A CB -0.453 18.596 19.000 0.082 0.000 0.812 337 A HN 0.498 nan 8.150 nan 0.000 0.446 338 I N -0.308 120.296 120.570 0.057 0.000 2.439 338 I HA -0.185 3.985 4.170 -0.000 0.000 0.251 338 I C 2.420 178.564 176.117 0.046 0.000 1.139 338 I CA 0.863 62.194 61.300 0.051 0.000 1.438 338 I CB -0.255 37.771 38.000 0.042 0.000 1.085 338 I HN 0.405 nan 8.210 nan 0.000 0.427 339 N N 0.841 119.559 118.700 0.031 0.000 2.135 339 N HA -0.159 4.581 4.740 -0.000 0.000 0.186 339 N C 1.713 177.233 175.510 0.016 0.000 1.027 339 N CA 1.182 54.239 53.050 0.011 0.000 0.849 339 N CB 0.109 38.579 38.487 -0.028 0.000 1.002 339 N HN 0.363 nan 8.380 nan 0.000 0.425 340 E N 0.698 120.917 120.200 0.031 0.000 2.086 340 E HA -0.209 4.140 4.350 -0.000 0.000 0.200 340 E C 1.946 178.584 176.600 0.064 0.000 1.012 340 E CA 1.364 57.799 56.400 0.059 0.000 0.812 340 E CB -0.143 29.625 29.700 0.112 0.000 0.743 340 E HN 0.391 nan 8.360 nan 0.000 0.453 341 A N 1.442 124.305 122.820 0.071 0.000 1.877 341 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 341 A C 2.419 180.054 177.584 0.084 0.000 1.186 341 A CA 1.894 53.979 52.037 0.080 0.000 0.620 341 A CB -0.738 18.313 19.000 0.084 0.000 0.822 341 A HN 0.313 nan 8.150 nan 0.000 0.443 342 A N -0.367 122.500 122.820 0.078 0.000 1.933 342 A HA 0.157 4.477 4.320 -0.000 0.000 0.218 342 A C 2.400 180.040 177.584 0.093 0.000 1.175 342 A CA 2.115 54.206 52.037 0.091 0.000 0.628 342 A CB -0.846 18.197 19.000 0.072 0.000 0.814 342 A HN 1.117 nan 8.150 nan 0.000 0.444 343 A N -0.954 121.904 122.820 0.064 0.000 2.123 343 A HA 0.231 4.551 4.320 -0.000 0.000 0.214 343 A C 2.027 179.643 177.584 0.053 0.000 1.152 343 A CA 0.869 52.940 52.037 0.057 0.000 0.728 343 A CB -0.349 18.667 19.000 0.026 0.000 0.814 343 A HN 0.493 nan 8.150 nan 0.000 0.464 344 L N 0.506 121.752 121.223 0.038 0.000 1.988 344 L HA -0.122 4.217 4.340 -0.000 0.000 0.207 344 L C 2.690 179.526 176.870 -0.055 0.000 1.071 344 L CA 2.401 57.223 54.840 -0.030 0.000 0.744 344 L CB -0.482 41.557 42.059 -0.034 0.000 0.893 344 L HN 0.413 nan 8.230 nan 0.000 0.433 345 V N -2.363 117.592 119.914 0.068 0.000 2.407 345 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 345 V C 1.962 178.092 176.094 0.060 0.000 1.055 345 V CA 2.158 64.573 62.300 0.192 0.000 1.049 345 V CB -0.934 31.080 31.823 0.320 0.000 0.662 345 V HN 0.348 nan 8.190 nan 0.000 0.455 346 D N 0.497 120.970 120.400 0.121 0.000 2.178 346 D HA -0.096 4.544 4.640 -0.000 0.000 0.201 346 D C 2.242 178.536 176.300 -0.009 0.000 0.980 346 D CA 1.920 55.985 54.000 0.107 0.000 0.842 346 D CB -0.297 40.590 40.800 0.146 0.000 0.948 346 D HN 0.561 nan 8.370 nan 0.000 0.472 347 T N -0.876 113.662 114.554 -0.026 0.000 2.770 347 T HA -0.077 4.273 4.350 -0.000 0.000 0.258 347 T C 2.068 176.665 174.700 -0.172 0.000 1.039 347 T CA 1.419 63.487 62.100 -0.052 0.000 1.143 347 T CB -0.063 68.816 68.868 0.018 0.000 0.866 347 T HN 0.142 nan 8.240 nan 0.000 0.428 348 V N -1.344 118.398 119.914 -0.287 0.000 2.795 348 V HA 0.266 4.386 4.120 -0.000 0.000 0.243 348 V C 1.647 177.371 176.094 -0.616 0.000 1.069 348 V CA 0.898 62.919 62.300 -0.464 0.000 1.089 348 V CB -0.772 30.635 31.823 -0.693 0.000 0.756 348 V HN 0.360 nan 8.190 nan 0.000 0.471 349 F N 2.040 121.763 119.950 -0.378 0.000 2.727 349 F HA 0.664 5.191 4.527 -0.000 0.000 0.302 349 F C 1.527 176.819 175.800 -0.846 0.000 1.097 349 F CA 0.335 58.011 58.000 -0.541 0.000 1.330 349 F CB -0.065 38.585 39.000 -0.582 0.000 1.084 349 F HN 0.375 nan 8.300 nan 0.000 0.578 350 G N -0.463 108.022 108.800 -0.525 0.000 2.820 350 G HA2 0.415 4.375 3.960 -0.000 0.000 0.291 350 G HA3 0.415 4.375 3.960 -0.000 0.000 0.291 350 G C 0.672 175.499 174.900 -0.121 0.000 1.323 350 G CA 0.160 45.055 45.100 -0.342 0.000 1.055 350 G HN 0.090 nan 8.290 nan 0.000 0.520 351 T N -0.256 114.288 114.554 -0.018 0.000 2.673 351 T HA -0.022 4.327 4.350 -0.000 0.000 0.248 351 T C 1.230 175.923 174.700 -0.010 0.000 1.080 351 T CA 0.629 62.726 62.100 -0.004 0.000 1.203 351 T CB -0.804 68.082 68.868 0.030 0.000 0.893 351 T HN 0.687 nan 8.240 nan 0.000 0.404 352 N N 4.140 122.850 118.700 0.017 0.000 2.294 352 N HA 0.055 4.795 4.740 -0.000 0.000 0.248 352 N C -2.903 172.618 175.510 0.019 0.000 1.242 352 N CA -0.712 52.353 53.050 0.025 0.000 0.848 352 N CB 0.047 38.563 38.487 0.049 0.000 1.084 352 N HN 0.172 nan 8.380 nan 0.000 0.457 353 P HA 0.282 nan 4.420 nan 0.000 0.282 353 P C -0.228 177.174 177.300 0.170 0.000 1.286 353 P CA -0.143 63.015 63.100 0.097 0.000 0.777 353 P CB 0.511 32.239 31.700 0.046 0.000 1.184 354 R N -0.058 120.602 120.500 0.267 0.000 3.170 354 R HA 0.168 4.508 4.340 -0.000 0.000 0.257 354 R C -1.289 175.035 176.300 0.040 0.000 1.139 354 R CA -0.483 55.694 56.100 0.127 0.000 1.158 354 R CB 1.187 31.538 30.300 0.084 0.000 1.269 354 R HN 0.598 nan 8.270 nan 0.000 0.459 355 K N 0.843 121.185 120.400 -0.098 0.000 2.375 355 K HA 0.553 4.873 4.320 -0.000 0.000 0.249 355 K C -0.461 176.043 176.600 -0.159 0.000 0.942 355 K CA -0.867 55.280 56.287 -0.235 0.000 0.806 355 K CB 2.179 34.367 32.500 -0.520 0.000 1.227 355 K HN 0.162 nan 8.250 nan 0.000 0.430 356 T N 1.511 115.960 114.554 -0.175 0.000 2.884 356 T HA 0.014 4.364 4.350 -0.000 0.000 0.298 356 T C -0.600 173.884 174.700 -0.360 0.000 0.998 356 T CA 0.029 61.964 62.100 -0.274 0.000 1.124 356 T CB 0.525 69.165 68.868 -0.380 0.000 0.931 356 T HN 0.487 nan 8.240 nan 0.000 0.531 357 D N 1.401 121.634 120.400 -0.277 0.000 2.365 357 D HA 0.110 4.749 4.640 -0.000 0.000 0.237 357 D C 0.595 176.741 176.300 -0.258 0.000 1.190 357 D CA -0.147 53.736 54.000 -0.195 0.000 0.867 357 D CB 0.430 41.168 40.800 -0.103 0.000 1.050 357 D HN 0.572 nan 8.370 nan 0.000 0.491 358 H N 0.824 119.877 119.070 -0.028 0.000 2.547 358 H HA 0.090 4.646 4.556 -0.000 0.000 0.266 358 H C 0.646 175.960 175.328 -0.023 0.000 0.988 358 H CA 0.391 56.425 56.048 -0.024 0.000 1.147 358 H CB 0.397 30.145 29.762 -0.024 0.000 1.365 358 H HN 0.302 nan 8.280 nan 0.000 0.589 359 T N -1.260 113.317 114.554 0.039 0.000 2.922 359 T HA 0.233 4.582 4.350 -0.000 0.000 0.285 359 T C 0.551 175.249 174.700 -0.004 0.000 1.005 359 T CA -1.022 61.091 62.100 0.022 0.000 1.061 359 T CB 1.337 70.217 68.868 0.019 0.000 1.007 359 T HN 0.219 nan 8.240 nan 0.000 0.502 360 R N -0.448 120.046 120.500 -0.009 0.000 3.651 360 R HA -0.107 4.233 4.340 -0.000 0.000 0.292 360 R C -0.532 175.751 176.300 -0.029 0.000 1.161 360 R CA 0.224 56.310 56.100 -0.024 0.000 0.787 360 R CB -3.059 27.229 30.300 -0.020 0.000 1.249 360 R HN 0.646 nan 8.270 nan 0.000 0.476 361 V N 1.088 120.987 119.914 -0.025 0.000 2.427 361 V HA 0.463 4.583 4.120 -0.000 0.000 0.268 361 V C 1.318 177.393 176.094 -0.032 0.000 1.046 361 V CA -0.124 62.162 62.300 -0.023 0.000 0.970 361 V CB 1.424 33.242 31.823 -0.009 0.000 1.001 361 V HN 0.411 nan 8.190 nan 0.000 0.476 362 A N 5.235 128.039 122.820 -0.027 0.000 2.388 362 A HA 0.731 5.051 4.320 -0.000 0.000 0.257 362 A C 0.499 178.074 177.584 -0.014 0.000 1.095 362 A CA 0.089 52.108 52.037 -0.030 0.000 0.791 362 A CB 0.385 19.373 19.000 -0.020 0.000 1.029 362 A HN 1.105 nan 8.150 nan 0.000 0.489 363 S N -0.169 115.522 115.700 -0.015 0.000 2.671 363 S HA 0.902 5.371 4.470 -0.000 0.000 0.277 363 S C -0.630 173.979 174.600 0.014 0.000 1.165 363 S CA -0.201 58.005 58.200 0.009 0.000 0.822 363 S CB 1.580 64.778 63.200 -0.004 0.000 1.150 363 S HN 2.249 nan 8.310 nan 0.000 0.479 364 A N 0.423 123.255 122.820 0.021 0.000 2.520 364 A HA 0.737 5.057 4.320 -0.000 0.000 0.298 364 A C -1.286 176.279 177.584 -0.032 0.000 1.051 364 A CA -0.757 51.222 52.037 -0.096 0.000 0.690 364 A CB 1.544 20.329 19.000 -0.358 0.000 1.281 364 A HN 1.105 nan 8.150 nan 0.000 0.402 365 V N 1.715 121.592 119.914 -0.063 0.000 2.394 365 V HA 0.348 4.468 4.120 -0.000 0.000 0.282 365 V C -0.584 175.439 176.094 -0.118 0.000 1.031 365 V CA -0.033 62.285 62.300 0.029 0.000 0.881 365 V CB 0.750 32.527 31.823 -0.077 0.000 0.982 365 V HN 0.739 nan 8.190 nan 0.000 0.451 366 F N 3.076 123.043 119.950 0.028 0.000 2.871 366 F HA 0.219 4.746 4.527 -0.000 0.000 0.317 366 F C 1.462 177.217 175.800 -0.074 0.000 1.193 366 F CA -0.315 57.668 58.000 -0.027 0.000 1.311 366 F CB -0.129 38.848 39.000 -0.038 0.000 1.380 366 F HN 0.571 nan 8.300 nan 0.000 0.557 367 S N -0.127 115.584 115.700 0.019 0.000 2.634 367 S HA 0.555 5.025 4.470 -0.000 0.000 0.261 367 S C -0.149 174.437 174.600 -0.022 0.000 1.271 367 S CA -0.675 57.510 58.200 -0.026 0.000 0.985 367 S CB 1.357 64.518 63.200 -0.065 0.000 0.968 367 S HN 0.264 nan 8.310 nan 0.000 0.568 368 I N 2.137 122.690 120.570 -0.028 0.000 2.405 368 I HA 0.357 4.527 4.170 -0.000 0.000 0.280 368 I C -2.466 173.644 176.117 -0.012 0.000 1.027 368 I CA -2.092 59.194 61.300 -0.024 0.000 1.161 368 I CB 1.362 39.343 38.000 -0.032 0.000 1.300 368 I HN 0.460 nan 8.210 nan 0.000 0.463 369 P HA 0.476 nan 4.420 nan 0.000 0.281 369 P C -2.672 174.595 177.300 -0.054 0.000 1.264 369 P CA -1.988 61.094 63.100 -0.029 0.000 0.824 369 P CB 0.350 32.035 31.700 -0.026 0.000 1.092 370 P HA 0.353 nan 4.420 nan 0.000 0.277 370 P C -0.577 176.641 177.300 -0.138 0.000 1.271 370 P CA -0.126 62.899 63.100 -0.125 0.000 0.795 370 P CB 0.850 32.440 31.700 -0.184 0.000 1.101 371 I N -0.711 119.762 120.570 -0.160 0.000 2.545 371 I HA 0.531 4.701 4.170 -0.000 0.000 0.292 371 I C 0.289 176.350 176.117 -0.093 0.000 1.040 371 I CA -0.457 60.783 61.300 -0.099 0.000 1.068 371 I CB 2.257 40.230 38.000 -0.044 0.000 1.251 371 I HN 0.352 nan 8.210 nan 0.000 0.424 372 G N 2.455 111.222 108.800 -0.056 0.000 2.566 372 G HA2 0.654 4.614 3.960 -0.000 0.000 0.311 372 G HA3 0.654 4.614 3.960 -0.000 0.000 0.311 372 G C -1.215 173.687 174.900 0.003 0.000 1.322 372 G CA -0.417 44.660 45.100 -0.040 0.000 0.969 372 G HN 0.472 nan 8.290 nan 0.000 0.490 373 T N -0.834 113.720 114.554 0.001 0.000 2.932 373 T HA 0.559 4.909 4.350 -0.000 0.000 0.318 373 T C -1.536 173.097 174.700 -0.112 0.000 1.265 373 T CA -0.510 61.569 62.100 -0.035 0.000 1.036 373 T CB 1.483 70.408 68.868 0.094 0.000 1.209 373 T HN 1.200 nan 8.240 nan 0.000 0.484 374 C N 3.260 122.418 119.300 -0.237 0.000 2.931 374 C HA 0.862 5.322 4.460 -0.000 0.000 0.370 374 C C 0.665 175.511 174.990 -0.240 0.000 1.071 374 C CA 1.185 60.093 59.018 -0.183 0.000 1.266 374 C CB 0.197 27.868 27.740 -0.115 0.000 1.691 374 C HN 1.906 nan 8.230 nan 0.000 0.511 375 G N 4.155 112.872 108.800 -0.138 0.000 2.615 375 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.218 375 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.218 375 G C -1.031 173.844 174.900 -0.041 0.000 1.339 375 G CA -0.280 44.760 45.100 -0.100 0.000 0.884 375 G HN 1.093 nan 8.290 nan 0.000 0.559 376 L N 0.952 122.177 121.223 0.003 0.000 2.371 376 L HA 0.521 4.860 4.340 -0.000 0.000 0.272 376 L C 1.360 178.326 176.870 0.159 0.000 1.124 376 L CA -0.672 54.203 54.840 0.058 0.000 0.816 376 L CB 0.948 43.036 42.059 0.049 0.000 1.129 376 L HN 0.661 nan 8.230 nan 0.000 0.448 377 I N -0.905 119.713 120.570 0.079 0.000 2.519 377 I HA 0.154 4.324 4.170 -0.000 0.000 0.287 377 I C 1.148 177.242 176.117 -0.039 0.000 1.047 377 I CA -0.466 60.816 61.300 -0.030 0.000 1.381 377 I CB 0.807 38.726 38.000 -0.136 0.000 1.417 377 I HN 0.753 nan 8.210 nan 0.000 0.540 378 E N 3.231 123.392 120.200 -0.065 0.000 2.246 378 E HA -0.348 4.002 4.350 -0.000 0.000 0.232 378 E C 1.550 178.015 176.600 -0.226 0.000 1.087 378 E CA 2.935 59.265 56.400 -0.117 0.000 0.964 378 E CB 0.008 29.686 29.700 -0.036 0.000 0.827 378 E HN 0.883 nan 8.360 nan 0.000 0.476 379 E N -1.025 119.090 120.200 -0.142 0.000 2.478 379 E HA -0.094 4.256 4.350 -0.000 0.000 0.198 379 E C 1.630 178.175 176.600 -0.091 0.000 1.046 379 E CA 0.814 57.134 56.400 -0.132 0.000 0.870 379 E CB 0.395 30.084 29.700 -0.019 0.000 0.818 379 E HN 0.196 nan 8.360 nan 0.000 0.527 380 V N -0.326 119.551 119.914 -0.062 0.000 2.788 380 V HA 0.111 4.231 4.120 -0.000 0.000 0.241 380 V C 2.079 178.182 176.094 0.015 0.000 1.083 380 V CA 0.996 63.285 62.300 -0.018 0.000 1.103 380 V CB -0.258 31.566 31.823 0.001 0.000 0.800 380 V HN 0.274 nan 8.190 nan 0.000 0.476 381 A N 1.553 124.393 122.820 0.035 0.000 1.933 381 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 381 A C 2.427 180.105 177.584 0.157 0.000 1.175 381 A CA 2.138 54.278 52.037 0.171 0.000 0.628 381 A CB -0.721 18.331 19.000 0.088 0.000 0.814 381 A HN 0.669 nan 8.150 nan 0.000 0.444 382 S N -0.183 115.493 115.700 -0.040 0.000 2.469 382 S HA -0.118 4.352 4.470 -0.000 0.000 0.238 382 S C 1.560 176.174 174.600 0.024 0.000 0.998 382 S CA 1.447 59.614 58.200 -0.055 0.000 0.957 382 S CB -0.223 62.764 63.200 -0.355 0.000 0.764 382 S HN 0.660 nan 8.310 nan 0.000 0.514 383 K N 0.276 120.681 120.400 0.008 0.000 2.356 383 K HA 0.249 4.569 4.320 -0.000 0.000 0.195 383 K C 2.119 178.701 176.600 -0.030 0.000 1.037 383 K CA 0.199 56.487 56.287 0.001 0.000 1.014 383 K CB 0.106 32.601 32.500 -0.008 0.000 0.815 383 K HN 0.198 nan 8.250 nan 0.000 0.507 384 R N -0.812 119.662 120.500 -0.044 0.000 2.206 384 R HA 0.133 4.473 4.340 -0.000 0.000 0.198 384 R C -0.175 175.824 176.300 -0.501 0.000 0.986 384 R CA 0.599 56.537 56.100 -0.270 0.000 1.029 384 R CB 0.422 30.525 30.300 -0.329 0.000 0.966 384 R HN 0.008 nan 8.270 nan 0.000 0.487 385 Y N -0.926 119.389 120.300 0.024 0.000 2.536 385 Y HA 0.241 4.790 4.550 -0.000 0.000 0.347 385 Y C 1.076 177.014 175.900 0.063 0.000 1.000 385 Y CA -1.104 57.021 58.100 0.043 0.000 1.051 385 Y CB 1.692 40.181 38.460 0.049 0.000 1.259 385 Y HN -0.173 nan 8.280 nan 0.000 0.468 386 E N 0.645 120.970 120.200 0.207 0.000 2.051 386 E HA 0.015 4.365 4.350 -0.000 0.000 0.189 386 E C -0.560 176.150 176.600 0.184 0.000 0.979 386 E CA 0.680 57.170 56.400 0.151 0.000 0.803 386 E CB 0.528 30.295 29.700 0.111 0.000 0.761 386 E HN 0.322 nan 8.360 nan 0.000 0.451 387 V N 1.306 121.352 119.914 0.220 0.000 2.577 387 V HA 0.450 4.570 4.120 -0.000 0.000 0.303 387 V C -1.143 175.129 176.094 0.297 0.000 1.042 387 V CA -0.725 61.730 62.300 0.258 0.000 0.872 387 V CB 1.775 33.747 31.823 0.249 0.000 0.998 387 V HN -0.037 nan 8.190 nan 0.000 0.423 388 V N 6.077 126.165 119.914 0.289 0.000 2.628 388 V HA 0.896 5.016 4.120 -0.000 0.000 0.306 388 V C 0.314 176.495 176.094 0.145 0.000 1.045 388 V CA -0.102 62.323 62.300 0.208 0.000 0.905 388 V CB 1.855 33.774 31.823 0.161 0.000 0.997 388 V HN 1.156 nan 8.190 nan 0.000 0.436 389 A N 3.967 126.793 122.820 0.011 0.000 2.318 389 A HA 0.847 5.167 4.320 -0.000 0.000 0.324 389 A C -0.888 176.579 177.584 -0.195 0.000 1.170 389 A CA -0.525 51.332 52.037 -0.300 0.000 0.810 389 A CB 1.471 20.238 19.000 -0.388 0.000 1.198 389 A HN 0.671 nan 8.150 nan 0.000 0.484 390 V N 3.071 122.688 119.914 -0.496 0.000 2.384 390 V HA 0.347 4.467 4.120 -0.000 0.000 0.287 390 V C -1.279 174.603 176.094 -0.353 0.000 1.020 390 V CA -0.420 61.656 62.300 -0.374 0.000 0.850 390 V CB 0.667 32.062 31.823 -0.713 0.000 0.987 390 V HN 0.716 nan 8.190 nan 0.000 0.436 391 Y N 4.941 125.100 120.300 -0.236 0.000 2.335 391 Y HA 0.639 5.189 4.550 -0.000 0.000 0.339 391 Y C -0.027 175.849 175.900 -0.040 0.000 0.987 391 Y CA -1.121 56.899 58.100 -0.133 0.000 1.140 391 Y CB 1.396 39.809 38.460 -0.078 0.000 1.173 391 Y HN 0.391 nan 8.280 nan 0.000 0.486 392 L N 3.136 124.433 121.223 0.124 0.000 2.385 392 L HA 0.671 5.011 4.340 -0.000 0.000 0.273 392 L C -1.041 175.929 176.870 0.167 0.000 0.990 392 L CA -0.256 54.672 54.840 0.146 0.000 0.821 392 L CB 2.137 44.289 42.059 0.155 0.000 1.279 392 L HN 0.613 nan 8.230 nan 0.000 0.412 393 S N 2.874 118.697 115.700 0.205 0.000 2.736 393 S HA 0.712 5.182 4.470 -0.000 0.000 0.285 393 S C -1.195 173.590 174.600 0.309 0.000 1.163 393 S CA -0.287 58.077 58.200 0.274 0.000 1.025 393 S CB 1.141 64.541 63.200 0.334 0.000 1.030 393 S HN 0.682 nan 8.310 nan 0.000 0.486 394 S N 4.358 120.226 115.700 0.279 0.000 2.521 394 S HA 0.895 5.365 4.470 -0.000 0.000 0.295 394 S C -1.085 173.686 174.600 0.285 0.000 1.098 394 S CA -0.715 57.593 58.200 0.180 0.000 0.999 394 S CB 0.951 64.210 63.200 0.097 0.000 1.034 394 S HN 0.757 nan 8.310 nan 0.000 0.483 395 F N -1.667 118.387 119.950 0.174 0.000 2.665 395 F HA 0.590 5.117 4.527 -0.000 0.000 0.308 395 F C -0.744 175.146 175.800 0.150 0.000 1.112 395 F CA -0.938 57.145 58.000 0.137 0.000 0.972 395 F CB 0.492 39.561 39.000 0.116 0.000 1.295 395 F HN 0.294 nan 8.300 nan 0.000 0.440 396 T N 3.802 118.476 114.554 0.200 0.000 2.737 396 T HA 0.385 4.734 4.350 -0.000 0.000 0.296 396 T C -2.526 172.355 174.700 0.300 0.000 0.922 396 T CA -0.849 61.347 62.100 0.160 0.000 1.079 396 T CB 0.506 69.449 68.868 0.125 0.000 0.892 396 T HN 0.323 nan 8.240 nan 0.000 0.514 397 P HA 0.094 nan 4.420 nan 0.000 0.268 397 P C 1.246 178.665 177.300 0.197 0.000 1.205 397 P CA -0.470 62.828 63.100 0.331 0.000 0.771 397 P CB 0.571 32.431 31.700 0.266 0.000 0.858 398 L N 3.121 124.426 121.223 0.137 0.000 2.013 398 L HA -0.218 4.122 4.340 -0.000 0.000 0.212 398 L C 1.987 178.897 176.870 0.066 0.000 1.073 398 L CA 2.379 57.268 54.840 0.082 0.000 0.753 398 L CB -0.555 41.533 42.059 0.048 0.000 0.890 398 L HN 0.508 nan 8.230 nan 0.000 0.432 399 M N -2.203 117.426 119.600 0.049 0.000 2.346 399 M HA -0.218 4.262 4.480 -0.000 0.000 0.263 399 M C 1.538 177.844 176.300 0.009 0.000 1.064 399 M CA 1.746 57.089 55.300 0.072 0.000 1.083 399 M CB -0.565 32.022 32.600 -0.022 0.000 1.399 399 M HN 0.123 nan 8.290 nan 0.000 0.435 400 H N -0.068 119.074 119.070 0.120 0.000 2.622 400 H HA 0.265 4.821 4.556 -0.000 0.000 0.269 400 H C 0.953 176.295 175.328 0.024 0.000 0.977 400 H CA 0.597 56.682 56.048 0.062 0.000 1.179 400 H CB -0.158 29.610 29.762 0.010 0.000 1.458 400 H HN 0.620 nan 8.280 nan 0.000 0.531 401 N N 0.665 119.443 118.700 0.130 0.000 2.171 401 N HA -0.060 4.680 4.740 -0.000 0.000 0.184 401 N C 1.919 177.445 175.510 0.027 0.000 1.021 401 N CA 1.231 54.323 53.050 0.070 0.000 0.854 401 N CB 0.148 38.667 38.487 0.054 0.000 0.994 401 N HN 0.348 nan 8.380 nan 0.000 0.426 402 I N -1.268 119.293 120.570 -0.016 0.000 3.428 402 I HA 0.100 4.270 4.170 -0.000 0.000 0.286 402 I C 1.786 177.816 176.117 -0.145 0.000 1.287 402 I CA 0.503 61.720 61.300 -0.137 0.000 1.396 402 I CB -0.174 37.649 38.000 -0.295 0.000 1.062 402 I HN 0.074 nan 8.210 nan 0.000 0.471 403 S N 1.058 116.796 115.700 0.063 0.000 2.421 403 S HA 0.302 4.772 4.470 -0.000 0.000 0.224 403 S C 1.781 176.471 174.600 0.150 0.000 1.035 403 S CA 0.811 59.146 58.200 0.226 0.000 0.953 403 S CB 0.119 63.566 63.200 0.413 0.000 0.810 403 S HN 0.697 nan 8.310 nan 0.000 0.497 404 G N 0.191 109.054 108.800 0.105 0.000 2.255 404 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.196 404 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.196 404 G C 0.315 175.221 174.900 0.010 0.000 0.998 404 G CA 0.040 45.177 45.100 0.062 0.000 0.656 404 G HN 0.628 nan 8.290 nan 0.000 0.490 405 S N 1.364 117.017 115.700 -0.079 0.000 3.812 405 S HA 0.298 4.768 4.470 -0.000 0.000 0.195 405 S C 1.408 175.720 174.600 -0.479 0.000 1.460 405 S CA 0.141 58.038 58.200 -0.505 0.000 1.052 405 S CB 0.630 63.390 63.200 -0.732 0.000 1.385 405 S HN 0.555 nan 8.310 nan 0.000 0.490 406 K N 0.734 121.036 120.400 -0.164 0.000 2.280 406 K HA -0.159 4.161 4.320 -0.000 0.000 0.202 406 K C 1.457 178.035 176.600 -0.036 0.000 1.047 406 K CA 1.232 57.495 56.287 -0.040 0.000 0.942 406 K CB -0.480 32.046 32.500 0.043 0.000 0.739 406 K HN 0.758 nan 8.250 nan 0.000 0.457 407 Y N 0.713 121.005 120.300 -0.014 0.000 2.497 407 Y HA 0.053 4.603 4.550 -0.000 0.000 0.292 407 Y C 0.058 175.923 175.900 -0.057 0.000 1.137 407 Y CA 0.028 58.111 58.100 -0.028 0.000 1.285 407 Y CB -0.459 37.982 38.460 -0.031 0.000 0.991 407 Y HN -0.228 nan 8.280 nan 0.000 0.556 408 K N 2.672 122.875 120.400 -0.329 0.000 2.110 408 K HA 0.144 4.464 4.320 -0.000 0.000 0.260 408 K C -0.379 176.150 176.600 -0.118 0.000 1.126 408 K CA 0.078 56.197 56.287 -0.280 0.000 1.005 408 K CB -0.054 32.035 32.500 -0.685 0.000 1.336 408 K HN 0.196 nan 8.250 nan 0.000 0.369 409 T N 2.121 116.648 114.554 -0.046 0.000 2.909 409 T HA 0.181 4.531 4.350 -0.000 0.000 0.289 409 T C -0.411 174.227 174.700 -0.103 0.000 1.005 409 T CA -0.341 61.721 62.100 -0.062 0.000 1.084 409 T CB 0.492 69.340 68.868 -0.033 0.000 0.975 409 T HN 0.257 nan 8.240 nan 0.000 0.509 410 F N 3.302 123.001 119.950 -0.419 0.000 2.385 410 F HA 0.536 5.063 4.527 -0.000 0.000 0.360 410 F C -0.614 174.965 175.800 -0.369 0.000 1.122 410 F CA -0.770 56.954 58.000 -0.459 0.000 1.090 410 F CB 0.676 39.197 39.000 -0.799 0.000 1.150 410 F HN 0.218 nan 8.300 nan 0.000 0.472 411 V N 5.848 125.464 119.914 -0.496 0.000 2.398 411 V HA 0.755 4.875 4.120 -0.000 0.000 0.286 411 V C -0.275 175.651 176.094 -0.280 0.000 1.026 411 V CA -0.640 61.518 62.300 -0.235 0.000 0.868 411 V CB 1.183 32.922 31.823 -0.140 0.000 0.982 411 V HN 0.907 nan 8.190 nan 0.000 0.443 412 A N 5.342 128.183 122.820 0.036 0.000 2.357 412 A HA 0.760 5.079 4.320 -0.000 0.000 0.295 412 A C -0.571 177.104 177.584 0.152 0.000 1.121 412 A CA -0.677 51.440 52.037 0.134 0.000 0.742 412 A CB 1.041 20.280 19.000 0.399 0.000 1.181 412 A HN 0.709 nan 8.150 nan 0.000 0.454 413 K N 2.457 122.932 120.400 0.125 0.000 2.378 413 K HA 0.738 5.058 4.320 -0.000 0.000 0.252 413 K C -1.576 175.084 176.600 0.101 0.000 0.931 413 K CA -0.511 55.859 56.287 0.138 0.000 0.794 413 K CB 1.546 34.139 32.500 0.156 0.000 1.181 413 K HN 0.703 nan 8.250 nan 0.000 0.425 414 I N 6.068 126.671 120.570 0.053 0.000 2.468 414 I HA 0.282 4.452 4.170 -0.000 0.000 0.284 414 I C -0.327 175.761 176.117 -0.049 0.000 1.038 414 I CA -1.002 60.236 61.300 -0.103 0.000 1.083 414 I CB 1.380 39.182 38.000 -0.331 0.000 1.223 414 I HN 0.539 nan 8.210 nan 0.000 0.443 415 I N 2.979 123.525 120.570 -0.039 0.000 2.437 415 I HA 0.696 4.865 4.170 -0.000 0.000 0.298 415 I C -0.341 175.719 176.117 -0.096 0.000 0.984 415 I CA 0.218 61.508 61.300 -0.017 0.000 1.214 415 I CB 2.031 40.042 38.000 0.020 0.000 1.365 415 I HN 0.353 nan 8.210 nan 0.000 0.469 416 T N 4.114 118.636 114.554 -0.054 0.000 2.893 416 T HA 0.324 4.674 4.350 -0.000 0.000 0.293 416 T C -0.682 173.974 174.700 -0.074 0.000 1.027 416 T CA -0.554 61.498 62.100 -0.081 0.000 0.988 416 T CB 1.053 69.932 68.868 0.018 0.000 1.043 416 T HN 0.786 nan 8.240 nan 0.000 0.461 417 N N 1.792 120.375 118.700 -0.194 0.000 2.406 417 N HA 0.045 4.785 4.740 -0.000 0.000 0.265 417 N C 0.811 176.353 175.510 0.053 0.000 1.203 417 N CA 0.250 53.190 53.050 -0.184 0.000 0.945 417 N CB 0.478 38.735 38.487 -0.383 0.000 1.165 417 N HN 0.631 nan 8.380 nan 0.000 0.485 418 H N 2.056 121.155 119.070 0.049 0.000 2.521 418 H HA 0.077 4.633 4.556 -0.000 0.000 0.286 418 H C 0.984 176.369 175.328 0.094 0.000 1.034 418 H CA 1.334 57.450 56.048 0.113 0.000 1.278 418 H CB 0.352 30.232 29.762 0.196 0.000 1.386 418 H HN 0.540 nan 8.280 nan 0.000 0.567 419 S N -0.450 115.294 115.700 0.073 0.000 2.555 419 S HA -0.062 4.408 4.470 -0.000 0.000 0.230 419 S C 1.011 175.600 174.600 -0.018 0.000 0.978 419 S CA 0.975 59.182 58.200 0.011 0.000 0.934 419 S CB 0.169 63.417 63.200 0.080 0.000 0.766 419 S HN 0.848 nan 8.310 nan 0.000 0.533 420 D N -2.011 118.380 120.400 -0.014 0.000 2.184 420 D HA 0.072 4.712 4.640 -0.000 0.000 0.508 420 D C 1.000 177.293 176.300 -0.012 0.000 0.947 420 D CA 0.807 54.800 54.000 -0.012 0.000 1.032 420 D CB -0.349 40.455 40.800 0.007 0.000 1.460 420 D HN 0.388 nan 8.370 nan 0.000 0.467 421 G N 1.178 109.975 108.800 -0.004 0.000 2.176 421 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.232 421 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.232 421 G C 0.403 175.266 174.900 -0.060 0.000 0.986 421 G CA 0.360 45.460 45.100 0.001 0.000 0.643 421 G HN 0.783 nan 8.290 nan 0.000 0.522 422 T N 0.049 114.560 114.554 -0.072 0.000 2.829 422 T HA 0.465 4.814 4.350 -0.000 0.000 0.293 422 T C 0.678 175.280 174.700 -0.162 0.000 0.970 422 T CA -0.097 61.944 62.100 -0.100 0.000 1.168 422 T CB 2.054 70.874 68.868 -0.079 0.000 0.911 422 T HN 0.839 nan 8.240 nan 0.000 0.535 423 V N 5.744 125.543 119.914 -0.193 0.000 2.493 423 V HA 0.028 4.147 4.120 -0.000 0.000 0.292 423 V C 1.453 177.422 176.094 -0.209 0.000 1.016 423 V CA 0.119 62.254 62.300 -0.274 0.000 1.097 423 V CB -0.297 31.272 31.823 -0.423 0.000 0.947 423 V HN 0.882 nan 8.190 nan 0.000 0.479 424 L N 4.173 125.267 121.223 -0.215 0.000 2.253 424 L HA 0.425 4.765 4.340 -0.000 0.000 0.205 424 L C 1.111 177.902 176.870 -0.131 0.000 1.078 424 L CA 0.886 55.620 54.840 -0.176 0.000 0.805 424 L CB -0.032 41.893 42.059 -0.224 0.000 0.963 424 L HN 0.777 nan 8.230 nan 0.000 0.459 425 G N -0.398 108.310 108.800 -0.153 0.000 2.768 425 G HA2 0.527 4.487 3.960 -0.000 0.000 0.297 425 G HA3 0.527 4.487 3.960 -0.000 0.000 0.297 425 G C -1.751 172.957 174.900 -0.319 0.000 1.430 425 G CA -0.296 44.677 45.100 -0.212 0.000 1.030 425 G HN -0.252 nan 8.290 nan 0.000 0.553 426 V N 2.825 122.460 119.914 -0.464 0.000 2.581 426 V HA 0.671 4.791 4.120 -0.000 0.000 0.303 426 V C -0.677 175.046 176.094 -0.617 0.000 1.041 426 V CA -0.818 61.266 62.300 -0.360 0.000 0.907 426 V CB 1.805 33.535 31.823 -0.155 0.000 0.994 426 V HN 0.788 nan 8.190 nan 0.000 0.442 427 H N 4.908 123.967 119.070 -0.018 0.000 2.877 427 H HA 0.641 5.197 4.556 -0.000 0.000 0.347 427 H C -1.411 173.891 175.328 -0.043 0.000 1.042 427 H CA -0.551 55.485 56.048 -0.019 0.000 1.276 427 H CB 2.137 31.893 29.762 -0.010 0.000 1.681 427 H HN 0.498 nan 8.280 nan 0.000 0.521 428 L N 1.906 123.137 121.223 0.014 0.000 2.422 428 L HA 0.551 4.891 4.340 -0.000 0.000 0.264 428 L C -0.968 175.769 176.870 -0.222 0.000 0.984 428 L CA -1.106 53.635 54.840 -0.164 0.000 0.819 428 L CB 2.124 44.073 42.059 -0.183 0.000 1.330 428 L HN 0.302 nan 8.230 nan 0.000 0.410 429 L N 1.473 122.463 121.223 -0.388 0.000 2.362 429 L HA 1.101 5.441 4.340 -0.000 0.000 0.275 429 L C -0.074 176.514 176.870 -0.469 0.000 0.998 429 L CA 0.338 54.991 54.840 -0.312 0.000 0.820 429 L CB 1.584 43.524 42.059 -0.199 0.000 1.270 429 L HN 0.982 nan 8.230 nan 0.000 0.415 430 G N 2.455 111.113 108.800 -0.236 0.000 2.333 430 G HA2 0.089 4.049 3.960 -0.000 0.000 0.330 430 G HA3 0.089 4.049 3.960 -0.000 0.000 0.330 430 G C -1.829 173.125 174.900 0.089 0.000 1.465 430 G CA -0.874 44.195 45.100 -0.052 0.000 0.996 430 G HN 0.697 nan 8.290 nan 0.000 0.655 431 D N 1.002 121.505 120.400 0.171 0.000 2.493 431 D HA 0.202 4.841 4.640 -0.000 0.000 0.240 431 D C 0.914 177.316 176.300 0.170 0.000 1.142 431 D CA 0.850 54.937 54.000 0.147 0.000 0.872 431 D CB 0.572 41.480 40.800 0.179 0.000 1.173 431 D HN 0.526 nan 8.370 nan 0.000 0.467 432 N N 0.505 119.268 118.700 0.105 0.000 2.948 432 N HA -0.227 4.513 4.740 -0.000 0.000 0.239 432 N C 1.030 176.597 175.510 0.095 0.000 0.954 432 N CA 0.898 54.005 53.050 0.095 0.000 0.941 432 N CB -1.302 37.247 38.487 0.104 0.000 1.101 432 N HN 0.546 nan 8.380 nan 0.000 0.579 433 A N 0.466 123.326 122.820 0.067 0.000 1.892 433 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 433 A C -0.256 177.313 177.584 -0.025 0.000 1.188 433 A CA 2.201 54.251 52.037 0.021 0.000 0.631 433 A CB -1.148 17.810 19.000 -0.069 0.000 0.822 433 A HN 0.356 nan 8.150 nan 0.000 0.447 434 P HA -0.113 nan 4.420 nan 0.000 0.217 434 P C 1.226 178.515 177.300 -0.017 0.000 1.150 434 P CA 1.115 64.144 63.100 -0.118 0.000 0.832 434 P CB -0.018 31.510 31.700 -0.286 0.000 0.787 435 E N -0.361 119.849 120.200 0.016 0.000 2.072 435 E HA -0.094 4.255 4.350 -0.000 0.000 0.191 435 E C 2.146 178.766 176.600 0.035 0.000 0.985 435 E CA 0.980 57.402 56.400 0.036 0.000 0.801 435 E CB -0.766 28.960 29.700 0.043 0.000 0.750 435 E HN 0.332 nan 8.360 nan 0.000 0.452 436 I N 0.742 121.343 120.570 0.051 0.000 2.226 436 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 436 I C 2.429 178.576 176.117 0.050 0.000 1.100 436 I CA 0.612 61.951 61.300 0.066 0.000 1.374 436 I CB -0.207 37.870 38.000 0.127 0.000 1.057 436 I HN 0.026 nan 8.210 nan 0.000 0.413 437 I N 0.552 121.143 120.570 0.035 0.000 2.700 437 I HA -0.245 3.925 4.170 -0.000 0.000 0.261 437 I C 2.433 178.557 176.117 0.012 0.000 1.219 437 I CA 1.413 62.724 61.300 0.019 0.000 1.463 437 I CB -0.533 37.464 38.000 -0.005 0.000 1.092 437 I HN 0.232 nan 8.210 nan 0.000 0.452 438 Q N 0.153 119.960 119.800 0.012 0.000 2.079 438 Q HA -0.099 4.240 4.340 -0.000 0.000 0.200 438 Q C 2.220 178.220 176.000 0.000 0.000 0.974 438 Q CA 1.678 57.486 55.803 0.008 0.000 0.840 438 Q CB -0.700 28.045 28.738 0.013 0.000 0.898 438 Q HN 0.576 nan 8.270 nan 0.000 0.430 439 G N -0.278 108.520 108.800 -0.004 0.000 2.432 439 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.219 439 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.219 439 G C 1.494 176.379 174.900 -0.024 0.000 1.135 439 G CA 0.801 45.887 45.100 -0.023 0.000 0.767 439 G HN 0.277 nan 8.290 nan 0.000 0.550 440 V N 1.223 121.141 119.914 0.006 0.000 2.667 440 V HA 0.015 4.135 4.120 -0.000 0.000 0.252 440 V C 2.985 179.105 176.094 0.043 0.000 1.065 440 V CA 1.590 63.923 62.300 0.055 0.000 1.083 440 V CB -0.387 31.498 31.823 0.102 0.000 0.692 440 V HN 0.423 nan 8.190 nan 0.000 0.468 441 G N 0.129 108.935 108.800 0.011 0.000 2.408 441 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.217 441 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.217 441 G C 1.522 176.421 174.900 -0.002 0.000 1.150 441 G CA 0.743 45.842 45.100 -0.002 0.000 0.776 441 G HN 0.507 nan 8.290 nan 0.000 0.542 442 I N 0.282 120.848 120.570 -0.007 0.000 2.252 442 I HA -0.147 4.023 4.170 -0.000 0.000 0.245 442 I C 2.781 178.892 176.117 -0.009 0.000 1.102 442 I CA 0.315 61.607 61.300 -0.013 0.000 1.385 442 I CB -0.414 37.573 38.000 -0.022 0.000 1.064 442 I HN 0.155 nan 8.210 nan 0.000 0.414 443 C N 0.592 119.889 119.300 -0.006 0.000 2.413 443 C HA -0.179 4.281 4.460 -0.000 0.000 0.277 443 C C 2.727 177.750 174.990 0.055 0.000 1.228 443 C CA 0.697 59.724 59.018 0.015 0.000 1.731 443 C CB -0.925 26.834 27.740 0.031 0.000 2.042 443 C HN 0.428 nan 8.230 nan 0.000 0.468 444 L N 0.637 121.896 121.223 0.059 0.000 2.131 444 L HA -0.088 4.252 4.340 -0.000 0.000 0.210 444 L C 2.285 179.160 176.870 0.008 0.000 1.092 444 L CA 1.738 56.595 54.840 0.029 0.000 0.759 444 L CB -0.615 41.445 42.059 0.002 0.000 0.903 444 L HN 0.316 nan 8.230 nan 0.000 0.435 445 K N -1.055 119.347 120.400 0.003 0.000 2.487 445 K HA 0.084 4.404 4.320 -0.000 0.000 0.192 445 K C 1.570 178.169 176.600 -0.002 0.000 1.027 445 K CA 0.166 56.451 56.287 -0.004 0.000 1.054 445 K CB 0.146 32.640 32.500 -0.010 0.000 0.824 445 K HN 0.274 nan 8.250 nan 0.000 0.510 446 L N 0.559 121.783 121.223 0.002 0.000 2.567 446 L HA 0.069 4.409 4.340 -0.000 0.000 0.225 446 L C -0.311 176.562 176.870 0.004 0.000 1.119 446 L CA -0.049 54.791 54.840 -0.001 0.000 0.871 446 L CB -0.003 42.052 42.059 -0.007 0.000 1.036 446 L HN 0.254 nan 8.230 nan 0.000 0.459 447 N N 0.628 119.334 118.700 0.010 0.000 2.771 447 N HA -0.134 4.606 4.740 -0.000 0.000 0.249 447 N C 0.139 175.657 175.510 0.013 0.000 1.069 447 N CA 0.729 53.783 53.050 0.006 0.000 0.688 447 N CB -1.004 37.484 38.487 0.003 0.000 0.928 447 N HN 0.310 nan 8.380 nan 0.000 0.551 448 A N 0.355 123.203 122.820 0.047 0.000 2.498 448 A HA 0.342 4.662 4.320 -0.000 0.000 0.239 448 A C 0.819 178.425 177.584 0.036 0.000 1.068 448 A CA 0.396 52.488 52.037 0.091 0.000 0.766 448 A CB 0.615 19.781 19.000 0.277 0.000 1.003 448 A HN 0.257 nan 8.150 nan 0.000 0.497 449 K N 0.895 121.301 120.400 0.011 0.000 2.090 449 K HA 0.377 4.697 4.320 -0.000 0.000 0.249 449 K C 1.053 177.595 176.600 -0.097 0.000 0.995 449 K CA -0.491 55.761 56.287 -0.058 0.000 0.914 449 K CB 0.794 33.255 32.500 -0.065 0.000 1.057 449 K HN 0.549 nan 8.250 nan 0.000 0.462 450 I N 1.264 121.712 120.570 -0.202 0.000 2.361 450 I HA -0.268 3.902 4.170 -0.000 0.000 0.251 450 I C 1.677 177.527 176.117 -0.446 0.000 1.133 450 I CA 1.685 62.801 61.300 -0.306 0.000 1.413 450 I CB -0.399 37.422 38.000 -0.299 0.000 1.073 450 I HN 0.751 nan 8.210 nan 0.000 0.424 451 S N 1.129 116.516 115.700 -0.521 0.000 2.356 451 S HA -0.229 4.241 4.470 -0.000 0.000 0.223 451 S C 1.585 175.739 174.600 -0.743 0.000 1.032 451 S CA 1.364 58.956 58.200 -1.012 0.000 1.005 451 S CB -1.133 61.840 63.200 -0.380 0.000 0.867 451 S HN 0.677 nan 8.310 nan 0.000 0.449 452 D N -0.529 119.697 120.400 -0.290 0.000 2.324 452 D HA 0.168 4.807 4.640 -0.000 0.000 0.235 452 D C 0.922 177.184 176.300 -0.064 0.000 1.095 452 D CA -0.068 53.844 54.000 -0.148 0.000 0.871 452 D CB -0.462 40.288 40.800 -0.084 0.000 0.906 452 D HN 0.416 nan 8.370 nan 0.000 0.522 453 F N 0.600 120.393 119.950 -0.261 0.000 2.104 453 F HA 0.011 4.537 4.527 -0.000 0.000 0.288 453 F C 1.821 177.582 175.800 -0.065 0.000 1.107 453 F CA 0.545 58.459 58.000 -0.143 0.000 1.208 453 F CB -0.772 38.153 39.000 -0.125 0.000 1.033 453 F HN 0.020 nan 8.300 nan 0.000 0.478 454 Y N -1.149 119.260 120.300 0.181 0.000 2.639 454 Y HA 0.051 4.600 4.550 -0.000 0.000 0.297 454 Y C 1.338 177.273 175.900 0.058 0.000 1.151 454 Y CA 0.598 58.759 58.100 0.102 0.000 1.335 454 Y CB -1.988 36.528 38.460 0.092 0.000 0.994 454 Y HN 0.152 nan 8.280 nan 0.000 0.548 455 N N -0.286 118.473 118.700 0.099 0.000 2.412 455 N HA 0.016 4.756 4.740 -0.000 0.000 0.184 455 N C -0.334 175.195 175.510 0.032 0.000 1.101 455 N CA 0.180 53.281 53.050 0.085 0.000 0.881 455 N CB 0.206 38.686 38.487 -0.013 0.000 0.969 455 N HN 0.210 nan 8.380 nan 0.000 0.459 456 T N 1.052 115.610 114.554 0.006 0.000 2.856 456 T HA 0.276 4.626 4.350 -0.000 0.000 0.292 456 T C 0.438 175.139 174.700 0.001 0.000 0.980 456 T CA -0.297 61.789 62.100 -0.025 0.000 1.091 456 T CB 1.672 70.488 68.868 -0.085 0.000 0.936 456 T HN 0.009 nan 8.240 nan 0.000 0.503 457 I N 2.661 123.226 120.570 -0.007 0.000 2.533 457 I HA 0.245 4.415 4.170 -0.000 0.000 0.284 457 I C 1.413 177.528 176.117 -0.005 0.000 1.109 457 I CA -0.181 61.118 61.300 -0.002 0.000 1.412 457 I CB 0.447 38.443 38.000 -0.006 0.000 1.396 457 I HN 0.708 nan 8.210 nan 0.000 0.543 458 G N 5.464 114.266 108.800 0.002 0.000 2.606 458 G HA2 0.374 4.334 3.960 -0.000 0.000 0.252 458 G HA3 0.374 4.334 3.960 -0.000 0.000 0.252 458 G C -0.433 174.481 174.900 0.024 0.000 1.206 458 G CA -0.412 44.696 45.100 0.013 0.000 0.861 458 G HN 0.398 nan 8.290 nan 0.000 0.561 459 V N 1.855 121.789 119.914 0.033 0.000 2.318 459 V HA 0.216 4.336 4.120 -0.000 0.000 0.271 459 V C -0.238 175.906 176.094 0.083 0.000 1.030 459 V CA -0.543 61.782 62.300 0.042 0.000 0.844 459 V CB 0.495 32.326 31.823 0.013 0.000 1.015 459 V HN 0.800 nan 8.190 nan 0.000 0.460 460 H N 6.490 125.544 119.070 -0.027 0.000 2.472 460 H HA 0.694 5.249 4.556 -0.000 0.000 0.338 460 H C -2.355 172.957 175.328 -0.027 0.000 1.133 460 H CA -1.882 54.147 56.048 -0.032 0.000 1.216 460 H CB 1.890 31.634 29.762 -0.030 0.000 1.497 460 H HN 0.487 nan 8.280 nan 0.000 0.500 461 P HA 0.260 nan 4.420 nan 0.000 0.297 461 P C -1.300 175.886 177.300 -0.191 0.000 1.342 461 P CA -0.667 62.127 63.100 -0.510 0.000 0.801 461 P CB 1.063 32.370 31.700 -0.657 0.000 0.920 462 T N -2.062 112.433 114.554 -0.098 0.000 2.896 462 T HA 0.391 4.740 4.350 -0.000 0.000 0.297 462 T C 0.906 175.556 174.700 -0.084 0.000 1.108 462 T CA -0.448 61.609 62.100 -0.071 0.000 1.004 462 T CB 1.273 70.120 68.868 -0.034 0.000 1.159 462 T HN 0.129 nan 8.240 nan 0.000 0.499 463 S N 0.473 116.097 115.700 -0.126 0.000 2.522 463 S HA 0.150 4.620 4.470 -0.000 0.000 0.227 463 S C 2.200 176.696 174.600 -0.174 0.000 0.986 463 S CA 0.266 58.296 58.200 -0.284 0.000 0.929 463 S CB -0.667 62.160 63.200 -0.622 0.000 0.769 463 S HN 1.018 nan 8.310 nan 0.000 0.529 464 A N 2.899 125.702 122.820 -0.028 0.000 1.930 464 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 464 A C 2.171 179.794 177.584 0.065 0.000 1.175 464 A CA 1.274 53.348 52.037 0.062 0.000 0.627 464 A CB -0.716 18.312 19.000 0.047 0.000 0.815 464 A HN 0.791 nan 8.150 nan 0.000 0.443 465 E N -0.145 120.074 120.200 0.032 0.000 2.401 465 E HA -0.238 4.112 4.350 -0.000 0.000 0.199 465 E C 1.474 178.112 176.600 0.063 0.000 1.023 465 E CA 1.287 57.713 56.400 0.043 0.000 0.859 465 E CB -0.197 29.530 29.700 0.045 0.000 0.780 465 E HN 0.493 nan 8.360 nan 0.000 0.523 466 E N 1.168 121.414 120.200 0.076 0.000 2.204 466 E HA -0.119 4.231 4.350 -0.000 0.000 0.195 466 E C 1.826 178.542 176.600 0.194 0.000 0.990 466 E CA 0.888 57.364 56.400 0.126 0.000 0.821 466 E CB -0.180 29.654 29.700 0.223 0.000 0.750 466 E HN 0.472 nan 8.360 nan 0.000 0.477 467 L N -0.923 120.429 121.223 0.216 0.000 2.156 467 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 467 L C 1.746 178.792 176.870 0.294 0.000 1.095 467 L CA 0.706 55.713 54.840 0.278 0.000 0.770 467 L CB -0.097 42.159 42.059 0.328 0.000 0.914 467 L HN 0.195 nan 8.230 nan 0.000 0.439 468 C N -1.365 118.054 119.300 0.199 0.000 2.559 468 C HA 0.158 4.618 4.460 -0.000 0.000 0.300 468 C C 2.083 177.178 174.990 0.176 0.000 1.288 468 C CA -0.086 59.043 59.018 0.186 0.000 1.699 468 C CB -1.086 26.706 27.740 0.087 0.000 1.819 468 C HN 0.326 nan 8.230 nan 0.000 0.600 469 S N 0.079 115.873 115.700 0.157 0.000 2.603 469 S HA 0.318 4.788 4.470 -0.000 0.000 0.232 469 S C 0.465 175.135 174.600 0.116 0.000 1.016 469 S CA -0.053 58.209 58.200 0.105 0.000 0.976 469 S CB -0.005 63.228 63.200 0.056 0.000 0.921 469 S HN 0.577 nan 8.310 nan 0.000 0.516 470 M N 2.008 121.717 119.600 0.183 0.000 2.289 470 M HA 0.357 4.837 4.480 -0.000 0.000 0.354 470 M C 1.122 177.581 176.300 0.264 0.000 1.210 470 M CA -0.354 55.077 55.300 0.218 0.000 1.174 470 M CB 0.785 33.530 32.600 0.242 0.000 1.297 470 M HN 0.002 nan 8.290 nan 0.000 0.423 471 R N 1.025 121.578 120.500 0.088 0.000 2.039 471 R HA 0.156 4.496 4.340 -0.000 0.000 0.218 471 R C 0.567 176.949 176.300 0.136 0.000 1.220 471 R CA 1.018 57.014 56.100 -0.174 0.000 0.993 471 R CB -0.009 30.008 30.300 -0.471 0.000 0.881 471 R HN 0.501 nan 8.270 nan 0.000 0.450 472 T N 3.081 117.631 114.554 -0.006 0.000 2.832 472 T HA 0.321 4.671 4.350 -0.000 0.000 0.296 472 T C -2.353 172.109 174.700 -0.397 0.000 0.968 472 T CA -1.751 60.284 62.100 -0.108 0.000 1.107 472 T CB 1.177 69.993 68.868 -0.087 0.000 0.916 472 T HN 0.044 nan 8.240 nan 0.000 0.517 473 P HA 0.161 nan 4.420 nan 0.000 0.271 473 P C 0.097 177.005 177.300 -0.653 0.000 1.233 473 P CA -0.143 62.255 63.100 -1.169 0.000 0.795 473 P CB 0.436 31.462 31.700 -1.124 0.000 0.936 474 S N -1.479 113.839 115.700 -0.637 0.000 2.613 474 S HA 0.222 4.692 4.470 -0.000 0.000 0.235 474 S C -0.330 174.209 174.600 -0.101 0.000 1.073 474 S CA 0.234 58.277 58.200 -0.262 0.000 0.899 474 S CB -0.081 63.062 63.200 -0.095 0.000 0.818 474 S HN 0.644 nan 8.310 nan 0.000 0.484 475 Y N -1.630 118.408 120.300 -0.436 0.000 2.818 475 Y HA 0.719 5.269 4.550 -0.000 0.000 0.341 475 Y C -1.691 173.853 175.900 -0.593 0.000 1.283 475 Y CA -2.132 55.750 58.100 -0.364 0.000 1.075 475 Y CB 0.351 38.694 38.460 -0.195 0.000 1.370 475 Y HN -0.076 nan 8.280 nan 0.000 0.448 476 Y N -0.925 119.342 120.300 -0.056 0.000 2.662 476 Y HA 0.690 5.240 4.550 -0.000 0.000 0.335 476 Y C -1.438 174.390 175.900 -0.120 0.000 1.066 476 Y CA -1.651 56.386 58.100 -0.105 0.000 1.116 476 Y CB 1.806 40.209 38.460 -0.095 0.000 1.308 476 Y HN 0.574 nan 8.280 nan 0.000 0.502 477 Y N 0.102 120.534 120.300 0.220 0.000 2.402 477 Y HA 0.459 5.008 4.550 -0.000 0.000 0.325 477 Y C -0.720 175.273 175.900 0.155 0.000 1.009 477 Y CA -1.043 57.161 58.100 0.173 0.000 1.278 477 Y CB 1.451 39.994 38.460 0.139 0.000 1.105 477 Y HN 0.255 nan 8.280 nan 0.000 0.476 478 V N 4.273 124.311 119.914 0.207 0.000 2.169 478 V HA 0.220 4.340 4.120 -0.000 0.000 0.271 478 V C 0.293 176.471 176.094 0.140 0.000 1.372 478 V CA -0.547 61.845 62.300 0.153 0.000 1.348 478 V CB -0.195 31.675 31.823 0.077 0.000 1.379 478 V HN 0.883 nan 8.190 nan 0.000 0.491 479 K N 0.904 121.413 120.400 0.181 0.000 5.503 479 K HA -0.196 4.124 4.320 -0.000 0.000 0.447 479 K C 1.019 177.746 176.600 0.212 0.000 0.396 479 K CA 1.845 58.230 56.287 0.163 0.000 1.904 479 K CB -1.672 30.890 32.500 0.102 0.000 0.786 479 K HN 0.891 nan 8.250 nan 0.000 0.639 480 G N 0.557 109.463 108.800 0.176 0.000 2.489 480 G HA2 0.518 4.478 3.960 -0.000 0.000 0.327 480 G HA3 0.518 4.478 3.960 -0.000 0.000 0.327 480 G C -1.362 173.573 174.900 0.058 0.000 1.189 480 G CA -0.373 44.828 45.100 0.168 0.000 0.962 480 G HN 0.212 nan 8.290 nan 0.000 0.486 481 E N 0.252 120.362 120.200 -0.149 0.000 2.366 481 E HA 0.197 4.547 4.350 -0.000 0.000 0.266 481 E C -0.636 175.826 176.600 -0.230 0.000 1.015 481 E CA 0.366 56.417 56.400 -0.581 0.000 0.906 481 E CB 0.305 29.618 29.700 -0.645 0.000 0.979 481 E HN 0.224 nan 8.360 nan 0.000 0.443 482 K N 5.073 125.388 120.400 -0.141 0.000 2.687 482 K HA 0.141 4.461 4.320 -0.000 0.000 0.249 482 K C -0.795 175.865 176.600 0.101 0.000 0.994 482 K CA -0.859 55.419 56.287 -0.015 0.000 0.913 482 K CB 1.209 33.716 32.500 0.012 0.000 1.202 482 K HN 0.481 nan 8.250 nan 0.000 0.460 483 M N 4.281 123.924 119.600 0.072 0.000 2.922 483 M HA 0.040 4.520 4.480 -0.000 0.000 0.294 483 M C 0.241 176.618 176.300 0.128 0.000 1.556 483 M CA 0.458 55.851 55.300 0.154 0.000 1.568 483 M CB -1.094 31.549 32.600 0.072 0.000 1.462 483 M HN 0.549 nan 8.290 nan 0.000 0.489 484 E N 0.000 120.307 120.200 0.179 0.000 2.725 484 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 484 E CA 0.000 56.355 56.400 -0.076 0.000 0.976 484 E CB 0.000 29.464 29.700 -0.393 0.000 0.812 484 E HN 0.000 nan 8.360 nan 0.000 0.440