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_A 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 -0.238 0.000 1.566 4 I CB 0.000 37.943 38.000 -0.096 0.000 1.214 5 F N 5.414 125.403 119.950 0.065 0.000 2.523 5 F HA 0.482 5.008 4.527 -0.000 0.000 0.329 5 F C 1.245 177.105 175.800 0.099 0.000 1.061 5 F CA -0.393 57.659 58.000 0.085 0.000 0.967 5 F CB 1.290 40.355 39.000 0.108 0.000 1.218 5 F HN 0.446 nan 8.300 nan 0.000 0.480 6 D N 0.533 121.125 120.400 0.320 0.000 2.149 6 D HA -0.014 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 0.271 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 44.703 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 -0.466 175.668 176.094 0.067 0.000 1.014 8 V CA -0.717 61.607 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 1.239 33.120 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 0.520 4.690 4.170 -0.000 0.000 0.295 10 I C 0.955 177.084 176.117 0.020 0.000 1.109 10 I CA 0.421 61.732 61.300 0.018 0.000 1.297 10 I CB 0.238 38.252 38.000 0.023 0.000 1.433 10 I HN 0.885 nan 8.210 nan 0.000 0.509 11 G N 4.645 113.446 108.800 0.000 0.000 3.353 11 G HA2 0.075 4.034 3.960 -0.000 0.000 0.682 11 G HA3 0.075 4.034 3.960 -0.000 0.000 0.682 11 G C -0.178 174.750 174.900 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 1.921 124.779 122.820 0.063 0.000 3.077 12 A HA 0.687 5.007 4.320 -0.000 0.000 0.255 12 A C 1.486 179.071 177.584 0.002 0.000 1.728 12 A CA 1.272 53.354 52.037 0.075 0.000 1.383 12 A CB -0.442 18.634 19.000 0.128 0.000 1.097 12 A HN 1.989 nan 8.150 nan 0.000 0.634 13 G N -0.395 108.417 108.800 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 1.137 176.034 174.900 -0.006 0.000 1.458 13 G CA 0.499 45.609 45.100 0.017 0.000 1.062 13 G HN 0.357 nan 8.290 nan 0.000 0.566 14 S N -0.526 115.190 115.700 0.025 0.000 2.362 14 S HA -0.018 4.452 4.470 -0.000 0.000 0.221 14 S C 2.424 177.047 174.600 0.039 0.000 1.032 14 S CA 1.300 59.517 58.200 0.030 0.000 0.973 14 S CB -0.469 62.760 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 0.055 0.000 2.430 15 G HA2 0.068 4.028 3.960 -0.000 0.000 0.216 15 G HA3 0.068 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 0.809 45.949 45.100 0.067 0.000 0.793 15 G HN 0.537 nan 8.290 nan 0.000 0.537 16 G N 1.033 109.872 108.800 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 0.751 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 0.877 122.130 121.223 0.049 0.000 2.265 17 L HA 0.053 4.393 4.340 -0.000 0.000 0.215 17 L C 2.536 179.451 176.870 0.074 0.000 1.117 17 L CA 1.775 56.638 54.840 0.040 0.000 0.782 17 L CB -0.468 41.523 42.059 -0.113 0.000 0.914 17 L HN 0.412 nan 8.230 nan 0.000 0.441 18 E N -0.511 119.734 120.200 0.074 0.000 2.076 18 E HA -0.097 4.252 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 1.310 57.773 56.400 0.105 0.000 0.807 18 E CB -0.131 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 0.779 123.670 122.820 0.118 0.000 1.968 19 A HA 0.113 4.433 4.320 -0.000 0.000 0.217 19 A C 2.400 180.043 177.584 0.099 0.000 1.169 19 A CA 1.618 53.726 52.037 0.119 0.000 0.638 19 A CB -0.862 18.207 19.000 0.115 0.000 0.812 19 A HN 0.388 nan 8.150 nan 0.000 0.446 20 A N -0.978 121.901 122.820 0.099 0.000 1.877 20 A HA -0.191 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 1.426 53.499 52.037 0.060 0.000 0.620 20 A CB -0.906 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 0.880 122.124 121.300 -0.093 0.000 2.388 21 W HA -0.137 4.523 4.660 -0.001 0.000 0.294 21 W C 1.485 177.950 176.519 -0.090 0.000 1.212 21 W CA 1.766 59.041 57.345 -0.118 0.000 1.271 21 W CB -0.373 29.023 29.460 -0.106 0.000 1.126 21 W HN 0.399 nan 8.180 nan 0.000 0.535 22 N N 0.714 119.455 118.700 0.068 0.000 2.244 22 N HA -0.083 4.657 4.740 -0.000 0.000 0.183 22 N C 1.893 177.359 175.510 -0.072 0.000 1.016 22 N CA 2.068 55.123 53.050 0.008 0.000 0.866 22 N CB -0.589 37.980 38.487 0.137 0.000 0.980 22 N HN 0.149 nan 8.380 nan 0.000 0.430 23 A N 0.308 123.079 122.820 -0.083 0.000 1.855 23 A HA 0.211 4.531 4.320 -0.000 0.000 0.213 23 A C 2.257 179.671 177.584 -0.283 0.000 1.195 23 A CA 1.486 53.404 52.037 -0.197 0.000 0.610 23 A CB -1.042 17.699 19.000 -0.432 0.000 0.837 23 A HN 0.266 nan 8.150 nan 0.000 0.444 24 A N -1.155 121.478 122.820 -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 -0.896 113.284 114.554 -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 1.057 62.752 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 -0.303 120.636 121.223 -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 1.486 55.986 54.840 -0.565 0.000 0.790 26 L CB -0.416 41.206 42.059 -0.728 0.000 0.942 26 L HN 0.309 nan 8.230 nan 0.000 0.452 27 Y N -1.483 118.724 120.300 -0.155 0.000 2.481 27 Y HA 0.245 4.795 4.550 -0.000 0.000 0.247 27 Y C 0.752 176.569 175.900 -0.138 0.000 1.151 27 Y CA -1.030 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 0.158 120.494 120.400 -0.106 0.000 3.125 28 K HA -0.209 4.111 4.320 -0.000 0.000 0.268 28 K C -0.551 175.997 176.600 -0.087 0.000 1.078 28 K CA 0.292 56.514 56.287 -0.108 0.000 0.775 28 K CB -1.213 31.249 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 4.754 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 0.761 121.281 120.500 0.032 0.000 2.255 30 R HA 0.479 4.819 4.340 -0.000 0.000 0.326 30 R C -1.404 175.089 176.300 0.321 0.000 0.986 30 R CA -0.489 55.719 56.100 0.180 0.000 0.847 30 R CB 0.627 31.033 30.300 0.178 0.000 1.111 30 R HN 0.289 nan 8.270 nan 0.000 0.452 31 V N 3.290 123.356 119.914 0.253 0.000 2.577 31 V HA 0.582 4.702 4.120 -0.000 0.000 0.303 31 V C -0.484 175.510 176.094 -0.166 0.000 1.042 31 V CA -1.029 61.306 62.300 0.058 0.000 0.872 31 V CB 1.708 33.526 31.823 -0.008 0.000 0.998 31 V HN 0.917 nan 8.190 nan 0.000 0.423 32 A N 4.365 126.915 122.820 -0.450 0.000 2.292 32 A HA 0.867 5.187 4.320 -0.000 0.000 0.319 32 A C -0.631 176.915 177.584 -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 19.885 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 -0.356 175.681 176.094 -0.096 0.000 1.025 33 V CA -0.208 62.151 62.300 0.098 0.000 0.859 33 V CB 1.332 33.378 31.823 0.372 0.000 0.988 33 V HN 0.739 nan 8.190 nan 0.000 0.431 34 I N 3.891 124.389 120.570 -0.119 0.000 2.378 34 I HA 0.568 4.738 4.170 -0.000 0.000 0.291 34 I C -0.673 175.275 176.117 -0.282 0.000 0.992 34 I CA -0.195 60.926 61.300 -0.299 0.000 1.154 34 I CB 1.759 39.669 38.000 -0.149 0.000 1.315 34 I HN 0.541 nan 8.210 nan 0.000 0.448 35 D N 4.211 124.335 120.400 -0.460 0.000 2.819 35 D HA 0.223 4.863 4.640 -0.000 0.000 0.232 35 D C 0.830 176.951 176.300 -0.300 0.000 1.160 35 D CA -0.505 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 2.710 122.313 119.914 -0.518 0.000 2.252 36 V HA -0.281 3.839 4.120 -0.000 0.000 0.255 36 V C 1.146 177.006 176.094 -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 30.553 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 -0.647 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 -1.361 174.905 176.300 -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 34.041 32.600 -0.111 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 -0.605 61.643 62.300 -0.086 0.000 0.962 39 V CB 1.871 33.607 31.823 -0.145 0.000 1.081 39 V HN 0.809 nan 8.190 nan 0.000 0.432 40 H N 4.421 123.502 119.070 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 0.441 30.275 29.762 0.119 0.000 1.356 40 H HN 1.977 nan 8.280 nan 0.000 0.612 41 G N 0.523 109.301 108.800 -0.036 0.000 2.525 41 G HA2 -0.072 3.887 3.960 -0.000 0.000 0.685 41 G HA3 -0.072 3.887 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 -1.845 175.028 177.300 -0.712 0.000 1.204 42 P CA -0.797 61.547 63.100 -1.259 0.000 0.768 42 P CB 0.647 31.876 31.700 -0.785 0.000 0.842 43 P HA 0.219 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 31.426 31.700 -1.013 0.000 1.082 44 F N -2.698 117.203 119.950 -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 -0.387 57.779 58.000 0.277 0.000 1.244 44 F CB -0.491 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 -1.381 118.740 119.950 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 1.132 59.282 58.000 0.250 0.000 0.731 45 F CB -1.673 37.505 39.000 0.298 0.000 1.619 45 F HN -0.016 nan 8.300 nan 0.000 0.262 46 S N 0.804 116.773 115.700 0.448 0.000 2.592 46 S HA 0.760 5.230 4.470 -0.000 0.000 0.271 46 S C -0.003 174.709 174.600 0.188 0.000 1.326 46 S CA 0.197 58.566 58.200 0.281 0.000 1.024 46 S CB 1.217 64.585 63.200 0.279 0.000 0.921 46 S HN 0.968 nan 8.310 nan 0.000 0.527 47 A N 2.959 125.855 122.820 0.127 0.000 2.524 47 A HA 0.528 4.847 4.320 -0.000 0.000 0.303 47 A C -0.996 176.616 177.584 0.046 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 0.840 122.056 121.223 -0.012 0.000 2.776 48 L HA 0.168 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 56.890 54.840 -0.105 0.000 0.947 48 L CB -0.162 41.741 42.059 -0.259 0.000 1.255 48 L HN 1.675 nan 8.230 nan 0.000 0.481 49 G N 1.596 110.313 108.800 -0.138 0.000 2.316 49 G HA2 0.001 3.960 3.960 -0.000 0.000 0.203 49 G HA3 0.001 3.960 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 -0.084 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 0.081 0.000 2.942 51 T HA -0.069 4.281 4.350 -0.000 0.000 0.265 51 T C 2.394 177.109 174.700 0.026 0.000 1.062 51 T CA 2.131 64.273 62.100 0.071 0.000 1.139 51 T CB -0.404 68.517 68.868 0.089 0.000 0.883 51 T HN 0.962 nan 8.240 nan 0.000 0.468 52 c N 1.039 119.661 118.600 0.037 0.000 2.425 52 c HA 0.006 4.576 4.570 -0.000 0.000 0.277 52 c C 2.690 176.764 174.090 -0.027 0.000 1.280 52 c CA 0.479 56.818 56.329 0.016 0.000 1.744 52 c CB -1.120 41.415 42.510 0.041 0.000 1.989 52 c HN 0.345 nan 8.230 nan 0.000 0.491 53 V N 1.374 121.289 119.914 0.001 0.000 2.535 53 V HA -0.067 4.053 4.120 -0.000 0.000 0.246 53 V C 2.211 178.264 176.094 -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 0.411 119.086 118.700 -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 -0.190 0.000 1.033 54 N CA 1.694 54.731 53.050 -0.023 0.000 0.879 54 N CB 0.777 39.344 38.487 0.134 0.000 1.071 54 N HN 0.486 nan 8.380 nan 0.000 0.437 55 V N -2.318 117.456 119.914 -0.233 0.000 2.771 55 V HA 0.721 4.841 4.120 -0.000 0.000 0.355 55 V C 0.329 176.148 176.094 -0.458 0.000 1.289 55 V CA -0.415 61.561 62.300 -0.539 0.000 1.231 55 V CB 0.537 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 -0.361 108.204 108.800 -0.393 0.000 3.354 56 G HA2 0.250 4.210 3.960 -0.000 0.000 0.174 56 G HA3 0.250 4.210 3.960 -0.000 0.000 0.174 56 G C 0.779 175.618 174.900 -0.102 0.000 1.140 56 G CA 0.613 45.646 45.100 -0.112 0.000 0.897 56 G HN 0.254 nan 8.290 nan 0.000 0.685 57 c N -0.032 118.539 118.600 -0.047 0.000 2.413 57 c HA -0.010 4.560 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 -1.371 41.124 42.510 -0.025 0.000 2.050 57 c HN 0.279 nan 8.230 nan 0.000 0.463 58 V N 2.774 122.605 119.914 -0.139 0.000 2.287 58 V HA -0.164 3.955 4.120 -0.000 0.000 0.248 58 V C 0.185 176.164 176.094 -0.191 0.000 1.053 58 V CA 2.745 64.953 62.300 -0.153 0.000 1.027 58 V CB -1.782 29.967 31.823 -0.124 0.000 0.646 58 V HN 0.492 nan 8.190 nan 0.000 0.447 59 P HA -0.124 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 1.340 64.295 63.100 -0.242 0.000 0.812 59 P CB -0.015 31.416 31.700 -0.450 0.000 0.792 60 K N 0.451 120.814 120.400 -0.062 0.000 2.155 60 K HA -0.045 4.275 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 1.284 57.515 56.287 -0.093 0.000 0.948 60 K CB -0.796 31.644 32.500 -0.101 0.000 0.728 60 K HN -0.075 nan 8.250 nan 0.000 0.448 61 K N 0.164 120.387 120.400 -0.296 0.000 2.228 61 K HA 0.050 4.369 4.320 -0.000 0.000 0.202 61 K C 1.613 178.077 176.600 -0.227 0.000 1.051 61 K CA 0.522 56.586 56.287 -0.372 0.000 0.960 61 K CB -0.004 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 -0.080 4.399 4.480 -0.000 0.000 0.266 63 M C 2.078 178.321 176.300 -0.096 0.000 1.082 63 M CA 0.617 55.822 55.300 -0.158 0.000 1.141 63 M CB 0.054 32.505 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 -0.157 0.000 2.379 64 V HA -0.204 3.915 4.120 -0.000 0.000 0.245 64 V C 2.225 178.275 176.094 -0.073 0.000 1.044 64 V CA 2.004 64.233 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 0.256 114.759 114.554 -0.085 0.000 2.759 65 T HA -0.136 4.214 4.350 -0.000 0.000 0.269 65 T C 1.839 176.497 174.700 -0.071 0.000 1.042 65 T CA 1.563 63.603 62.100 -0.099 0.000 1.140 65 T CB -0.533 68.297 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 3.988 3.960 -0.000 0.000 0.217 66 G HA3 0.029 3.988 3.960 -0.000 0.000 0.217 66 G C 1.765 176.800 174.900 0.225 0.000 1.150 66 G CA 0.737 46.018 45.100 0.302 0.000 0.776 66 G HN 0.571 nan 8.290 nan 0.000 0.542 67 A N -0.354 122.552 122.820 0.144 0.000 2.066 67 A HA 0.035 4.355 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 1.460 53.497 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 -1.300 118.409 119.800 -0.152 0.000 2.167 68 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 68 Q C 1.302 177.073 176.000 -0.382 0.000 0.970 68 Q CA 1.136 56.763 55.803 -0.293 0.000 0.855 68 Q CB -0.289 28.249 28.738 -0.332 0.000 0.911 68 Q HN 0.808 nan 8.270 nan 0.000 0.438 69 Y N 0.351 120.598 120.300 -0.089 0.000 2.569 69 Y HA -0.184 4.366 4.550 -0.000 0.000 0.293 69 Y C 2.189 178.053 175.900 -0.060 0.000 1.144 69 Y CA 1.242 59.328 58.100 -0.024 0.000 1.321 69 Y CB -0.468 38.005 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 4.421 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 1.539 56.836 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 0.460 120.597 120.200 -0.104 0.000 2.028 71 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 71 E C 2.116 178.689 176.600 -0.044 0.000 0.988 71 E CA 1.444 57.779 56.400 -0.109 0.000 0.799 71 E CB -0.856 28.702 29.700 -0.236 0.000 0.755 71 E HN 0.669 nan 8.360 nan 0.000 0.447 72 H N 0.375 119.485 119.070 0.067 0.000 2.352 72 H HA -0.072 4.483 4.556 -0.000 0.000 0.299 72 H C 2.130 177.525 175.328 0.112 0.000 1.097 72 H CA 0.794 56.887 56.048 0.074 0.000 1.311 72 H CB -0.286 29.525 29.762 0.082 0.000 1.377 72 H HN 0.042 nan 8.280 nan 0.000 0.504 73 L N 0.529 121.898 121.223 0.243 0.000 2.141 73 L HA -0.073 4.266 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 1.177 56.181 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 0.520 121.139 120.500 0.199 0.000 2.060 74 R HA -0.121 4.218 4.340 -0.000 0.000 0.225 74 R C 1.842 178.256 176.300 0.190 0.000 1.155 74 R CA 1.566 57.764 56.100 0.163 0.000 0.930 74 R CB -0.175 30.195 30.300 0.118 0.000 0.829 74 R HN 0.523 nan 8.270 nan 0.000 0.433 75 E N 0.813 121.134 120.200 0.203 0.000 2.516 75 E HA -0.087 4.263 4.350 -0.000 0.000 0.199 75 E C 1.540 178.346 176.600 0.344 0.000 1.069 75 E CA 0.953 57.508 56.400 0.257 0.000 0.876 75 E CB 0.018 29.885 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 0.750 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 4.577 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 1.327 53.522 52.037 0.263 0.000 0.646 77 A CB -1.563 17.514 19.000 0.129 0.000 0.806 77 A HN 0.683 nan 8.150 nan 0.000 0.448 78 G N -1.794 107.144 108.800 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 0.764 175.619 174.900 -0.076 0.000 1.130 78 G CA 0.519 45.651 45.100 0.055 0.000 0.784 78 G HN 0.443 nan 8.290 nan 0.000 0.543 79 F N 0.555 120.598 119.950 0.155 0.000 2.660 79 F HA 0.411 4.938 4.527 -0.000 0.000 0.297 79 F C 1.781 177.613 175.800 0.053 0.000 1.132 79 F CA 0.023 58.111 58.000 0.148 0.000 1.372 79 F CB 0.611 39.762 39.000 0.252 0.000 1.003 79 F HN 0.206 nan 8.300 nan 0.000 0.524 80 G N -1.232 107.628 108.800 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 2.376 123.766 121.300 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 3.650 124.030 120.200 0.300 0.000 2.227 82 E HA 0.563 4.913 4.350 -0.000 0.000 0.268 82 E C -0.823 175.980 176.600 0.338 0.000 0.907 82 E CA -0.999 55.519 56.400 0.197 0.000 0.786 82 E CB 2.250 31.986 29.700 0.061 0.000 1.191 82 E HN 0.321 nan 8.360 nan 0.000 0.411 83 F N -1.621 118.396 119.950 0.111 0.000 2.741 83 F HA 0.286 4.812 4.527 -0.000 0.000 0.311 83 F C -0.347 175.493 175.800 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 39.651 39.000 0.103 0.000 1.312 83 F HN 0.093 nan 8.300 nan 0.000 0.450 84 D N 1.952 122.455 120.400 0.171 0.000 2.449 84 D HA -0.001 4.639 4.640 -0.000 0.000 0.278 84 D C 1.085 177.421 176.300 0.059 0.000 1.417 84 D CA 0.643 54.692 54.000 0.080 0.000 1.192 84 D CB 0.210 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 1.110 121.475 120.500 -0.225 0.000 2.316 85 R HA -0.047 4.293 4.340 -0.000 0.000 0.202 85 R C 1.904 178.206 176.300 0.005 0.000 1.029 85 R CA 0.540 56.518 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 -1.125 113.437 114.554 0.014 0.000 2.867 86 T HA -0.099 4.251 4.350 -0.000 0.000 0.268 86 T C 1.614 176.357 174.700 0.071 0.000 1.057 86 T CA 1.457 63.578 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 0.383 175.167 174.700 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 3.609 124.945 121.223 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 0.097 42.376 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 -1.034 175.322 176.300 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 1.164 124.052 122.820 0.113 0.000 2.290 90 A HA 0.409 4.729 4.320 -0.000 0.000 0.310 90 A C -0.368 177.391 177.584 0.291 0.000 1.202 90 A CA -0.321 51.822 52.037 0.176 0.000 0.837 90 A CB 0.646 19.698 19.000 0.087 0.000 1.139 90 A HN 0.494 nan 8.150 nan 0.000 0.509 91 E N 2.757 123.142 120.200 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 4.701 126.069 121.300 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 58.830 57.345 -0.091 0.000 1.257 92 W CB 0.181 29.624 29.460 -0.027 0.000 1.145 92 W HN 0.418 nan 8.180 nan 0.000 0.509 93 K N 0.365 120.886 120.400 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 2.179 58.507 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 0.938 121.323 120.400 -0.026 0.000 2.057 94 K HA -0.154 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 0.860 57.119 56.287 -0.047 0.000 0.935 94 K CB -0.117 32.382 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 -2.487 117.746 120.570 -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 1.160 62.184 61.300 -0.460 0.000 1.472 96 I CB -0.878 36.786 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 1.878 53.867 52.037 -0.081 0.000 0.620 97 A CB -0.959 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 -2.189 117.664 119.914 -0.102 0.000 2.719 98 V HA -0.089 4.031 4.120 -0.000 0.000 0.252 98 V C 2.112 178.139 176.094 -0.110 0.000 1.065 98 V CA 2.110 64.357 62.300 -0.088 0.000 1.086 98 V CB -0.665 31.109 31.823 -0.081 0.000 0.700 98 V HN 0.423 nan 8.190 nan 0.000 0.467 99 K N 0.966 121.274 120.400 -0.154 0.000 2.002 99 K HA -0.234 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 2.333 58.506 56.287 -0.190 0.000 0.930 99 K CB -0.702 31.654 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 1.052 54.996 54.000 -0.095 0.000 0.839 100 D CB -0.075 40.795 40.800 0.116 0.000 0.948 100 D HN 0.329 nan 8.370 nan 0.000 0.460 101 E N 0.866 121.052 120.200 -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 1.591 57.984 56.400 -0.013 0.000 0.800 101 E CB -0.449 29.234 29.700 -0.029 0.000 0.752 101 E HN 0.141 nan 8.360 nan 0.000 0.447 102 A N 0.031 122.802 122.820 -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 1.885 53.864 52.037 -0.096 0.000 0.624 102 A CB -0.823 18.110 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 3.935 4.120 -0.000 0.000 0.250 103 V C 2.461 178.551 176.094 -0.008 0.000 1.058 103 V CA 1.706 63.905 62.300 -0.169 0.000 1.064 103 V CB -0.747 30.828 31.823 -0.413 0.000 0.675 103 V HN 0.623 nan 8.190 nan 0.000 0.461 104 L N 0.772 122.039 121.223 0.073 0.000 2.141 104 L HA -0.120 4.220 4.340 -0.000 0.000 0.209 104 L C 1.882 178.777 176.870 0.042 0.000 1.094 104 L CA 2.032 56.977 54.840 0.174 0.000 0.763 104 L CB -0.862 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 -0.456 118.234 118.700 -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 1.952 122.440 120.570 -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 -0.243 0.000 1.111 106 I CA 1.469 62.616 61.300 -0.255 0.000 1.382 106 I CB -1.469 36.438 38.000 -0.156 0.000 1.060 106 I HN 0.201 nan 8.210 nan 0.000 0.418 107 N N 0.989 119.670 118.700 -0.031 0.000 2.120 107 N HA -0.168 4.571 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 1.007 54.090 53.050 0.055 0.000 0.852 107 N CB -0.087 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 0.528 120.899 120.400 -0.048 0.000 2.097 108 K HA -0.059 4.261 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 -0.001 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 1.856 176.393 174.600 -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 2.286 122.571 120.300 -0.025 0.000 2.274 110 Y HA 0.052 4.602 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 0.503 58.626 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 1.941 178.617 176.600 0.126 0.000 1.015 111 E CA 1.745 58.175 56.400 0.050 0.000 0.824 111 E CB -0.047 29.638 29.700 -0.025 0.000 0.762 111 E HN 0.477 nan 8.360 nan 0.000 0.454 112 E N 0.558 120.805 120.200 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 1.611 58.053 56.400 0.071 0.000 0.812 112 E CB -0.377 29.337 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 0.124 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 0.104 0.000 1.093 113 M CB -0.207 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 -0.384 119.623 119.950 0.096 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 1.137 59.178 58.000 0.068 0.000 1.323 114 F CB -0.403 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 0.158 120.782 120.500 0.206 0.000 2.325 115 R HA -0.015 4.324 4.340 -0.000 0.000 0.214 115 R C -0.126 176.224 176.300 0.084 0.000 0.961 115 R CA 0.547 56.720 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 -1.329 119.121 120.400 0.084 0.000 2.480 116 D HA 0.076 4.715 4.640 -0.000 0.000 0.276 116 D C -0.708 175.625 176.300 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 1.529 116.107 114.554 0.040 0.000 2.848 117 T HA 0.296 4.646 4.350 -0.000 0.000 0.285 117 T C -0.342 174.332 174.700 -0.044 0.000 0.995 117 T CA -0.750 61.335 62.100 -0.024 0.000 0.970 117 T CB 2.398 71.231 68.868 -0.058 0.000 0.976 117 T HN -0.075 nan 8.240 nan 0.000 0.441 118 E N 1.403 121.565 120.200 -0.064 0.000 2.436 118 E HA 0.416 4.766 4.350 -0.000 0.000 0.262 118 E C 1.432 177.994 176.600 -0.064 0.000 1.063 118 E CA 0.355 56.726 56.400 -0.048 0.000 0.944 118 E CB -0.269 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 1.828 110.629 108.800 0.001 0.000 2.779 119 G HA2 -0.338 3.621 3.960 -0.000 0.000 0.230 119 G HA3 -0.338 3.621 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 0.210 45.328 45.100 0.029 0.000 0.769 119 G HN 0.555 nan 8.290 nan 0.000 0.516 120 L N 2.723 123.921 121.223 -0.041 0.000 2.500 120 L HA 0.400 4.739 4.340 -0.000 0.000 0.272 120 L C 0.478 177.425 176.870 0.129 0.000 1.149 120 L CA 0.369 55.182 54.840 -0.044 0.000 0.897 120 L CB 0.267 42.147 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 -0.107 0.000 0.895 121 E CA -0.817 55.650 56.400 0.111 0.000 0.753 121 E CB 2.403 32.056 29.700 -0.079 0.000 1.216 121 E HN 0.264 nan 8.360 nan 0.000 0.434 122 F N 2.351 122.015 119.950 -0.476 0.000 2.444 122 F HA 0.529 5.055 4.527 -0.000 0.000 0.342 122 F C -1.633 173.716 175.800 -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 6.962 126.456 119.950 -0.761 0.000 2.426 123 F HA 0.430 4.957 4.527 -0.000 0.000 0.348 123 F C -0.561 174.682 175.800 -0.930 0.000 1.124 123 F CA -0.980 56.659 58.000 -0.602 0.000 1.008 123 F CB 1.377 40.173 39.000 -0.340 0.000 1.139 123 F HN 0.277 nan 8.300 nan 0.000 0.452 124 L N 3.700 124.654 121.223 -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 0.759 55.412 54.840 -0.312 0.000 0.833 124 L CB -0.144 41.904 42.059 -0.019 0.000 1.170 124 L HN 0.805 nan 8.230 nan 0.000 0.442 125 G N 3.004 111.667 108.800 -0.229 0.000 2.333 125 G HA2 0.091 4.051 3.960 -0.000 0.000 0.288 125 G HA3 0.091 4.051 3.960 -0.000 0.000 0.288 125 G C -2.282 172.493 174.900 -0.208 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 1.002 122.206 121.300 -0.161 0.000 2.318 126 W HA 0.588 5.248 4.660 -0.000 0.000 0.315 126 W C 0.660 177.105 176.519 -0.123 0.000 1.033 126 W CA -0.052 57.196 57.345 -0.161 0.000 1.275 126 W CB 1.871 31.222 29.460 -0.181 0.000 1.250 126 W HN 0.848 nan 8.180 nan 0.000 0.421 127 G N 2.113 110.955 108.800 0.070 0.000 2.364 127 G HA2 0.464 4.424 3.960 -0.000 0.000 0.267 127 G HA3 0.464 4.424 3.960 -0.000 0.000 0.267 127 G C -0.498 174.431 174.900 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 1.206 116.918 115.700 0.021 0.000 2.536 128 S HA 0.424 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 57.450 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 2.737 123.962 121.223 0.002 0.000 2.315 129 L HA 0.339 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 0.496 55.335 54.840 -0.001 0.000 0.833 129 L CB 0.322 42.381 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 0.259 176.852 176.600 -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 -1.441 114.254 115.700 -0.008 0.000 2.790 131 S HA 0.206 4.675 4.470 -0.000 0.000 0.292 131 S C 0.529 175.123 174.600 -0.009 0.000 1.197 131 S CA -0.715 57.480 58.200 -0.009 0.000 0.851 131 S CB 1.201 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 0.284 176.878 176.600 -0.010 0.000 1.046 132 K CA 2.006 58.282 56.287 -0.018 0.000 0.933 132 K CB -0.737 31.750 32.500 -0.022 0.000 0.728 132 K HN 0.809 nan 8.250 nan 0.000 0.454 133 N N -1.109 117.592 118.700 0.001 0.000 2.609 133 N HA 0.080 4.820 4.740 -0.000 0.000 0.251 133 N C -1.407 174.116 175.510 0.023 0.000 1.526 133 N CA -0.634 52.427 53.050 0.018 0.000 0.931 133 N CB 0.895 39.398 38.487 0.026 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 -1.253 174.841 176.094 0.000 0.000 1.062 134 V CA -0.695 61.611 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 -0.475 175.589 176.094 -0.049 0.000 1.042 135 V CA -0.560 61.728 62.300 -0.020 0.000 0.872 135 V CB 2.066 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 40.439 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 4.265 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 62.066 62.300 -0.084 0.000 0.951 137 V CB -0.389 31.347 31.823 -0.145 0.000 1.102 137 V HN 0.639 nan 8.190 nan 0.000 0.489 138 R N 3.088 123.592 120.500 0.008 0.000 2.531 138 R HA 0.282 4.622 4.340 -0.000 0.000 0.260 138 R C 1.350 177.682 176.300 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 -0.533 119.685 120.200 0.029 0.000 2.472 139 E HA 0.080 4.430 4.350 -0.000 0.000 0.196 139 E C -0.216 176.417 176.600 0.054 0.000 1.033 139 E CA -0.119 56.316 56.400 0.060 0.000 0.886 139 E CB 0.465 30.183 29.700 0.030 0.000 0.944 139 E HN 0.406 nan 8.360 nan 0.000 0.492 140 S N -1.279 114.365 115.700 -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 0.885 63.920 63.200 -0.276 0.000 1.192 140 S HN 0.064 nan 8.310 nan 0.000 0.506 141 A N 0.818 122.818 122.820 -1.365 0.000 1.877 141 A HA 0.088 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 1.834 53.165 52.037 -1.177 0.000 0.620 141 A CB -1.541 16.727 19.000 -1.219 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 4.730 4.640 -0.000 0.000 0.254 142 D C -1.536 174.662 176.300 -0.169 0.000 1.204 142 D CA -1.438 52.427 54.000 -0.225 0.000 0.896 142 D CB 0.802 41.498 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 0.550 177.809 177.300 -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 31.930 31.700 -0.068 0.000 0.936 144 A N 0.518 123.294 122.820 -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 -1.170 17.798 19.000 -0.053 0.000 0.821 144 A HN 0.378 nan 8.150 nan 0.000 0.449 145 S N 0.098 115.755 115.700 -0.071 0.000 2.563 145 S HA 0.369 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 63.412 63.200 -0.088 0.000 0.877 145 S HN 1.334 nan 8.310 nan 0.000 0.549 146 A N 2.055 124.859 122.820 -0.028 0.000 2.548 146 A HA 0.404 4.723 4.320 -0.000 0.000 0.247 146 A C 0.327 177.900 177.584 -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 1.197 177.279 176.094 -0.020 0.000 1.035 147 V CA 1.074 63.360 62.300 -0.024 0.000 1.084 147 V CB 0.850 32.655 31.823 -0.029 0.000 0.953 147 V HN 1.006 nan 8.190 nan 0.000 0.483 148 K N 2.383 122.768 120.400 -0.025 0.000 2.592 148 K HA 0.666 4.986 4.320 -0.000 0.000 0.203 148 K C -0.288 176.283 176.600 -0.047 0.000 1.070 148 K CA -0.473 55.802 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 0.716 120.869 120.200 -0.079 0.000 2.720 149 E HA 0.207 4.556 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 -0.290 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 2.880 123.307 120.500 -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 55.119 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 3.458 124.623 121.223 -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 -0.022 54.818 54.840 0.000 0.000 0.811 151 L CB 0.763 42.805 42.059 -0.028 0.000 1.184 151 L HN 0.550 nan 8.230 nan 0.000 0.429 152 E N 1.567 121.814 120.200 0.079 0.000 2.331 152 E HA 0.502 4.852 4.350 -0.000 0.000 0.272 152 E C -0.161 176.520 176.600 0.136 0.000 1.036 152 E CA -0.062 56.382 56.400 0.072 0.000 0.864 152 E CB 1.511 31.230 29.700 0.032 0.000 1.035 152 E HN 0.559 nan 8.360 nan 0.000 0.408 153 T N 0.781 115.406 114.554 0.118 0.000 2.786 153 T HA 0.105 4.454 4.350 -0.000 0.000 0.316 153 T C -0.352 174.419 174.700 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 1.123 121.407 120.200 0.140 0.000 2.364 154 E HA 0.214 4.564 4.350 -0.000 0.000 0.196 154 E C -0.125 176.546 176.600 0.119 0.000 0.990 154 E CA 0.426 56.892 56.400 0.109 0.000 0.886 154 E CB 0.342 30.108 29.700 0.109 0.000 0.866 154 E HN 0.535 nan 8.360 nan 0.000 0.493 155 N N -0.201 118.604 118.700 0.175 0.000 2.284 155 N HA 0.487 5.226 4.740 -0.000 0.000 0.289 155 N C -1.016 174.609 175.510 0.191 0.000 1.179 155 N CA -0.487 52.682 53.050 0.199 0.000 0.774 155 N CB 2.512 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 1.321 121.989 120.570 0.163 0.000 2.533 156 I HA 0.381 4.551 4.170 -0.000 0.000 0.290 156 I C -1.450 174.783 176.117 0.193 0.000 1.056 156 I CA -0.880 60.504 61.300 0.140 0.000 1.057 156 I CB 1.940 39.980 38.000 0.068 0.000 1.240 156 I HN 0.246 nan 8.210 nan 0.000 0.423 157 L N 7.367 128.703 121.223 0.188 0.000 2.319 157 L HA 0.512 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 -0.485 54.474 54.840 0.199 0.000 0.828 157 L CB 1.257 43.437 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 0.085 54.977 54.840 0.086 0.000 0.824 158 L CB 0.713 42.815 42.059 0.071 0.000 1.202 158 L HN 0.799 nan 8.230 nan 0.000 0.433 159 A N 1.597 124.466 122.820 0.082 0.000 3.214 159 A HA 0.378 4.698 4.320 -0.000 0.000 0.304 159 A C 1.043 178.671 177.584 0.073 0.000 0.969 159 A CA 0.045 52.131 52.037 0.082 0.000 0.986 159 A CB -0.015 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 -0.789 114.955 115.700 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 1.410 110.278 108.800 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 45.325 45.100 0.138 0.000 0.962 161 G HN 1.841 nan 8.290 nan 0.000 0.560 162 S N -1.901 113.929 115.700 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 58.089 58.200 0.243 0.000 0.868 162 S CB 2.101 65.402 63.200 0.168 0.000 1.115 162 S HN 1.321 nan 8.310 nan 0.000 0.461 163 W N 1.914 123.286 121.300 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 -1.974 55.450 57.345 0.131 0.000 1.208 163 W CB 0.867 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 -0.819 176.583 177.300 0.171 0.000 1.187 164 P CA 0.583 63.654 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 3.671 122.779 119.070 0.063 0.000 2.504 165 H HA 0.404 4.960 4.556 -0.000 0.000 0.322 165 H C -0.433 174.932 175.328 0.062 0.000 1.055 165 H CA -0.519 55.584 56.048 0.091 0.000 1.231 165 H CB 0.424 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 6.886 126.239 119.600 -0.411 0.000 2.300 166 M HA 0.312 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 -2.529 52.568 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 -0.748 176.509 177.300 -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 1.274 119.965 118.700 -0.015 0.000 2.645 168 N HA 0.315 5.055 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 -0.078 38.425 38.487 0.026 0.000 1.210 168 N HN 0.331 nan 8.380 nan 0.000 0.512 169 I N 2.998 123.563 120.570 -0.008 0.000 2.545 169 I HA 0.317 4.487 4.170 -0.000 0.000 0.292 169 I C -2.173 173.942 176.117 -0.002 0.000 1.040 169 I CA -2.518 58.778 61.300 -0.006 0.000 1.068 169 I CB 2.587 40.578 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 0.551 177.873 177.300 0.037 0.000 1.116 170 P CA 0.999 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 0.758 175.678 174.900 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 1.149 121.702 120.570 -0.029 0.000 2.530 172 I HA -0.035 4.135 4.170 -0.000 0.000 0.257 172 I C 2.207 178.273 176.117 -0.085 0.000 1.179 172 I CA 2.333 63.607 61.300 -0.043 0.000 1.440 172 I CB -0.099 37.875 38.000 -0.043 0.000 1.087 172 I HN 0.456 nan 8.210 nan 0.000 0.440 173 E N -0.753 119.331 120.200 -0.193 0.000 2.160 173 E HA -0.243 4.107 4.350 -0.000 0.000 0.195 173 E C 1.532 177.984 176.600 -0.245 0.000 0.991 173 E CA 1.703 57.942 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 -0.462 55.575 56.048 -0.018 0.000 1.146 174 H CB 0.085 29.836 29.762 -0.019 0.000 1.382 174 H HN 0.071 nan 8.280 nan 0.000 0.577 175 C N 1.321 120.644 119.300 0.038 0.000 2.351 175 C HA 0.518 4.978 4.460 -0.000 0.000 0.359 175 C C 1.175 176.144 174.990 -0.035 0.000 1.193 175 C CA -1.066 57.943 59.018 -0.014 0.000 2.270 175 C CB 0.560 28.276 27.740 -0.040 0.000 2.369 175 C HN 0.513 nan 8.230 nan 0.000 0.553 176 I N 0.524 121.053 120.570 -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 1.392 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 -0.765 114.809 115.700 -0.209 0.000 2.851 177 S HA 0.426 4.895 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 2.086 117.560 115.700 -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 59.559 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 0.696 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 1.807 54.735 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 1.739 178.392 176.600 0.089 0.000 0.996 180 E CA 0.727 57.135 56.400 0.014 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 1.125 123.855 122.820 -0.150 0.000 2.019 181 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 181 A C 1.691 179.218 177.584 -0.096 0.000 1.164 181 A CA 0.815 52.726 52.037 -0.211 0.000 0.644 181 A CB -0.769 17.725 19.000 -0.843 0.000 0.805 181 A HN 0.152 nan 8.150 nan 0.000 0.449 182 F N -2.557 117.354 119.950 -0.066 0.000 2.748 182 F HA 0.063 4.590 4.527 -0.000 0.000 0.299 182 F C 0.971 176.447 175.800 -0.540 0.000 1.154 182 F CA 0.729 58.560 58.000 -0.282 0.000 1.446 182 F CB -0.075 38.649 39.000 -0.460 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 0.494 176.564 175.900 0.283 0.000 1.170 183 Y CA -1.087 57.188 58.100 0.291 0.000 1.201 183 Y CB -0.276 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 4.219 125.689 121.223 0.412 0.000 2.601 184 L HA -0.034 4.305 4.340 -0.000 0.000 0.277 184 L C -0.906 176.242 176.870 0.465 0.000 1.219 184 L CA -0.821 54.262 54.840 0.405 0.000 0.915 184 L CB 0.548 42.862 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 -0.095 177.393 177.300 0.313 0.000 1.146 185 P CA 1.358 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 -1.615 118.710 120.200 0.208 0.000 2.401 186 E HA 0.374 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 0.962 30.644 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 -0.499 0.000 1.235 187 P CA -1.041 61.451 63.100 -1.013 0.000 0.772 187 P CB 0.115 31.320 31.700 -0.825 0.000 0.871 188 P HA 0.146 nan 4.420 nan 0.000 0.269 188 P C 0.782 177.929 177.300 -0.255 0.000 1.209 188 P CA -0.085 62.794 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 1.556 121.961 120.500 -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 0.687 56.732 56.100 -0.092 0.000 0.975 189 R CB 0.178 30.441 30.300 -0.062 0.000 0.869 189 R HN 0.384 nan 8.270 nan 0.000 0.437 190 R N 0.449 120.933 120.500 -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 3.263 123.173 119.914 -0.008 0.000 2.769 191 V HA 0.550 4.669 4.120 -0.000 0.000 0.312 191 V C -0.952 174.913 176.094 -0.380 0.000 1.061 191 V CA -1.096 61.063 62.300 -0.235 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 3.667 124.522 121.223 -0.613 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 1.770 43.029 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 0.516 69.409 68.868 0.041 0.000 0.930 193 T HN 0.300 nan 8.240 nan 0.000 0.494 194 V N 3.714 123.597 119.914 -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 0.414 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 3.178 112.020 108.800 0.069 0.000 2.334 195 G HA2 0.430 4.389 3.960 -0.000 0.000 0.566 195 G HA3 0.430 4.389 3.960 -0.000 0.000 0.566 195 G C -0.347 174.479 174.900 -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 0.317 174.882 174.900 -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 0.388 109.037 108.800 -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 -0.347 174.585 174.900 0.054 0.000 1.669 197 G CA 0.111 45.135 45.100 -0.127 0.000 0.945 197 G HN 1.566 nan 8.290 nan 0.000 0.710 198 F N 0.573 120.420 119.950 -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 2.688 60.640 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 0.520 120.787 120.570 -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 2.041 63.072 61.300 -0.448 0.000 1.355 199 I CB -0.801 37.015 38.000 -0.307 0.000 1.046 199 I HN 0.563 nan 8.210 nan 0.000 0.413 200 S N 0.318 115.980 115.700 -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 1.804 59.990 58.200 -0.024 0.000 1.010 200 S CB -0.392 62.783 63.200 -0.041 0.000 0.891 200 S HN 0.406 nan 8.310 nan 0.000 0.442 201 V N -0.392 119.491 119.914 -0.052 0.000 2.871 201 V HA 0.122 4.242 4.120 -0.000 0.000 0.256 201 V C 1.891 177.941 176.094 -0.072 0.000 1.082 201 V CA 1.751 64.017 62.300 -0.056 0.000 1.105 201 V CB -0.765 31.007 31.823 -0.084 0.000 0.713 201 V HN 0.461 nan 8.190 nan 0.000 0.473 202 E N -0.290 119.843 120.200 -0.112 0.000 2.072 202 E HA -0.048 4.302 4.350 -0.000 0.000 0.190 202 E C 1.847 178.270 176.600 -0.294 0.000 0.982 202 E CA 1.421 57.712 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 4.559 4.527 -0.000 0.000 0.298 203 F C 2.180 177.805 175.800 -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 38.622 39.000 -0.473 0.000 1.078 203 F HN -0.026 nan 8.300 nan 0.000 0.546 204 A N -0.042 122.804 122.820 0.043 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 -1.524 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 -0.335 120.178 120.570 -0.096 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 0.235 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 -0.001 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 2.374 178.220 175.800 0.077 0.000 1.090 207 F CA 1.272 59.342 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 1.836 177.396 175.510 0.083 0.000 1.024 208 N CA 1.593 54.717 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 -1.227 121.632 122.820 0.065 0.000 1.968 209 A HA -0.033 4.287 4.320 -0.000 0.000 0.217 209 A C 1.229 178.722 177.584 -0.153 0.000 1.169 209 A CA 0.936 52.924 52.037 -0.082 0.000 0.638 209 A CB -0.644 18.239 19.000 -0.194 0.000 0.812 209 A HN 0.478 nan 8.150 nan 0.000 0.446 210 Y N 0.668 121.069 120.300 0.167 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 -0.101 58.113 58.100 0.191 0.000 1.252 210 Y CB -0.002 38.712 38.460 0.425 0.000 1.123 210 Y HN 0.370 nan 8.280 nan 0.000 0.524 211 K N 0.999 121.479 120.400 0.135 0.000 2.132 211 K HA 0.200 4.519 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 -1.424 54.887 56.287 0.040 0.000 0.888 211 K CB 0.311 32.828 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 62.782 63.100 0.010 0.000 0.971 212 P CB 0.484 32.178 31.700 -0.009 0.000 1.653 213 K N -0.229 120.181 120.400 0.017 0.000 6.035 213 K HA -0.217 4.103 4.320 -0.000 0.000 0.451 213 K C 0.786 177.391 176.600 0.009 0.000 0.399 213 K CA 2.305 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 0.427 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 0.355 4.315 3.960 -0.000 0.000 0.249 215 G HA3 0.355 4.315 3.960 -0.000 0.000 0.249 215 G C -0.675 174.228 174.900 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 4.813 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 2.097 30.860 28.738 0.041 0.000 1.306 216 Q HN 0.508 nan 8.270 nan 0.000 0.424 217 V N 2.690 122.640 119.914 0.059 0.000 2.427 217 V HA 0.751 4.871 4.120 -0.000 0.000 0.286 217 V C -0.400 175.735 176.094 0.069 0.000 1.034 217 V CA -0.580 61.756 62.300 0.060 0.000 0.893 217 V CB 1.727 33.597 31.823 0.077 0.000 0.982 217 V HN 0.878 nan 8.190 nan 0.000 0.452 218 T N 5.774 120.360 114.554 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 69.915 68.868 0.188 0.000 1.010 218 T HN 0.568 nan 8.240 nan 0.000 0.469 219 L N 4.198 125.436 121.223 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 0.118 42.194 42.059 0.028 0.000 1.150 219 L HN 0.896 nan 8.230 nan 0.000 0.442 220 C N 4.848 124.195 119.300 0.077 0.000 2.498 220 C HA 0.602 5.062 4.460 -0.000 0.000 0.316 220 C C -1.018 174.096 174.990 0.207 0.000 1.209 220 C CA -0.785 58.308 59.018 0.126 0.000 1.518 220 C CB 1.111 28.963 27.740 0.186 0.000 2.147 220 C HN 0.771 nan 8.230 nan 0.000 0.483 221 Y N 4.707 125.024 120.300 0.027 0.000 2.406 221 Y HA 0.581 5.131 4.550 -0.000 0.000 0.340 221 Y C 0.875 176.794 175.900 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 0.906 nan 8.280 nan 0.000 0.448 222 R N 2.059 122.430 120.500 -0.215 0.000 2.386 222 R HA 0.373 4.712 4.340 -0.000 0.000 0.216 222 R C 0.416 176.286 176.300 -0.718 0.000 1.119 222 R CA 0.495 56.396 56.100 -0.331 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 -0.463 107.456 108.800 -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 -1.161 118.946 120.200 -0.156 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 0.474 56.847 56.400 -0.045 0.000 0.849 224 E CB 0.176 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 0.815 120.468 119.600 0.088 0.000 2.365 225 M HA 0.236 4.715 4.480 -0.000 0.000 0.288 225 M C -0.448 176.002 176.300 0.250 0.000 1.152 225 M CA -0.568 54.805 55.300 0.121 0.000 0.948 225 M CB 2.199 34.825 32.600 0.043 0.000 1.729 225 M HN -0.067 nan 8.290 nan 0.000 0.487 226 I N 0.827 121.507 120.570 0.184 0.000 3.381 226 I HA 0.143 4.312 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 -0.463 60.873 61.300 0.060 0.000 1.292 226 I CB 0.205 38.191 38.000 -0.024 0.000 1.396 226 I HN 0.889 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 4.120 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 54.974 54.840 -0.160 0.000 0.765 227 L CB -1.500 40.348 42.059 -0.351 0.000 1.519 227 L HN 0.761 nan 8.230 nan 0.000 0.842 228 R N 0.062 120.586 120.500 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 0.625 56.800 56.100 0.125 0.000 1.116 228 R CB -0.172 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 1.272 110.153 108.800 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 -0.059 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 1.255 121.164 119.950 -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 -0.817 57.133 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 0.724 54.597 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 0.005 114.631 114.554 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 0.708 62.861 62.100 0.088 0.000 1.141 233 T CB 0.014 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 0.542 121.771 121.223 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 1.313 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 0.338 120.815 120.500 -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 1.430 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 0.538 120.735 120.200 -0.006 0.000 2.107 236 E HA -0.150 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 0.667 57.079 56.400 0.020 0.000 0.809 236 E CB -0.076 29.664 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 2.121 178.708 176.600 -0.020 0.000 0.985 237 E CA 0.541 56.936 56.400 -0.008 0.000 0.801 237 E CB -0.179 29.510 29.700 -0.018 0.000 0.750 237 E HN 0.215 nan 8.360 nan 0.000 0.452 238 L N 0.891 122.091 121.223 -0.038 0.000 2.093 238 L HA -0.076 4.263 4.340 -0.000 0.000 0.208 238 L C 2.117 178.961 176.870 -0.043 0.000 1.085 238 L CA 1.642 56.453 54.840 -0.049 0.000 0.755 238 L CB -0.684 41.327 42.059 -0.080 0.000 0.904 238 L HN -0.000 nan 8.230 nan 0.000 0.435 239 T N -0.639 113.894 114.554 -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 1.353 63.436 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 0.021 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 0.311 120.086 119.800 -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 0.055 121.234 121.223 -0.073 0.000 2.068 242 L HA -0.122 4.218 4.340 -0.000 0.000 0.204 242 L C 2.466 179.280 176.870 -0.093 0.000 1.076 242 L CA 1.641 56.440 54.840 -0.067 0.000 0.753 242 L CB -0.603 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 -2.406 112.091 114.554 -0.095 0.000 2.915 243 T HA -0.083 4.267 4.350 -0.000 0.000 0.269 243 T C 1.867 176.467 174.700 -0.167 0.000 1.071 243 T CA 0.839 62.879 62.100 -0.099 0.000 1.132 243 T CB -0.326 68.499 68.868 -0.072 0.000 0.878 243 T HN 0.308 nan 8.240 nan 0.000 0.479 244 A N 2.130 124.785 122.820 -0.275 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 53.336 52.037 -0.502 0.000 0.628 244 A CB -0.986 17.454 19.000 -0.933 0.000 0.814 244 A HN 0.634 nan 8.150 nan 0.000 0.444 245 N N -1.693 116.786 118.700 -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 53.541 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 1.339 110.078 108.800 -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 -1.848 118.707 120.570 -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 1.145 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 0.994 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 4.644 125.219 120.570 0.009 0.000 2.371 249 I HA 0.133 4.302 4.170 -0.000 0.000 0.282 249 I C -0.784 175.337 176.117 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 7.012 128.240 121.223 0.008 0.000 2.282 250 L HA 0.280 4.620 4.340 -0.000 0.000 0.287 250 L C 0.643 177.499 176.870 -0.023 0.000 1.075 250 L CA 0.144 54.962 54.840 -0.037 0.000 0.839 250 L CB 0.786 42.791 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 -0.031 0.000 2.922 251 T HA 0.405 4.754 4.350 -0.000 0.000 0.285 251 T C 0.452 175.093 174.700 -0.098 0.000 1.005 251 T CA -0.946 61.124 62.100 -0.050 0.000 1.061 251 T CB 0.950 69.800 68.868 -0.030 0.000 1.007 251 T HN 0.482 nan 8.240 nan 0.000 0.502 252 K N 0.148 120.459 120.400 -0.148 0.000 3.071 252 K HA -0.142 4.178 4.320 -0.000 0.000 0.265 252 K C -0.404 176.135 176.600 -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 1.894 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 2.943 121.807 118.700 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 2.081 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 63.465 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 4.045 126.839 122.820 -0.043 0.000 2.026 256 A HA 0.152 4.471 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 19.162 19.000 0.021 0.000 0.939 256 A HN 0.486 nan 8.150 nan 0.000 0.476 257 K N 0.336 120.705 120.400 -0.052 0.000 2.651 257 K HA 0.448 4.768 4.320 -0.000 0.000 0.259 257 K C -1.997 174.573 176.600 -0.051 0.000 1.017 257 K CA -0.379 55.888 56.287 -0.033 0.000 0.897 257 K CB 1.832 34.323 32.500 -0.014 0.000 1.262 257 K HN -0.042 nan 8.250 nan 0.000 0.460 258 V N 5.358 125.261 119.914 -0.019 0.000 2.368 258 V HA 0.181 4.300 4.120 -0.000 0.000 0.266 258 V C 0.086 176.204 176.094 0.040 0.000 1.045 258 V CA -0.323 61.977 62.300 0.000 0.000 0.899 258 V CB 0.708 32.557 31.823 0.045 0.000 1.006 258 V HN 0.743 nan 8.190 nan 0.000 0.470 259 E N 5.704 125.879 120.200 -0.041 0.000 2.171 259 E HA 0.421 4.771 4.350 -0.000 0.000 0.271 259 E C -0.763 175.697 176.600 -0.234 0.000 0.916 259 E CA -0.912 55.434 56.400 -0.089 0.000 0.774 259 E CB 2.705 32.375 29.700 -0.050 0.000 1.128 259 E HN 0.564 nan 8.360 nan 0.000 0.403 260 L N 4.652 125.589 121.223 -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 5.386 123.997 118.700 -0.150 0.000 2.437 261 N HA 0.392 5.132 4.740 -0.000 0.000 0.259 261 N C 0.262 175.725 175.510 -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 3.747 126.530 122.820 -0.061 0.000 5.150 262 A HA -0.400 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 1.758 53.769 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 1.271 121.648 120.400 -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 -1.123 39.657 40.800 -0.033 0.000 0.874 263 D HN 2.385 nan 8.370 nan 0.000 0.513 264 G N -0.934 107.840 108.800 -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 0.318 174.869 174.600 -0.082 0.000 1.344 265 S CA 0.681 58.843 58.200 -0.063 0.000 1.025 265 S CB 0.731 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 1.374 121.736 120.400 -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 1.907 34.386 32.500 -0.035 0.000 1.159 266 K HN 0.378 nan 8.250 nan 0.000 0.424 267 S N 1.736 117.388 115.700 -0.080 0.000 2.404 267 S HA 0.266 4.736 4.470 -0.000 0.000 0.309 267 S C -0.535 174.024 174.600 -0.069 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 0.265 nan 8.310 nan 0.000 0.484 268 V N 4.498 124.374 119.914 -0.064 0.000 2.334 268 V HA 0.212 4.331 4.120 -0.000 0.000 0.267 268 V C 0.523 176.460 176.094 -0.262 0.000 1.040 268 V CA -0.420 61.778 62.300 -0.170 0.000 0.866 268 V CB 0.769 32.475 31.823 -0.195 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 4.807 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 -0.023 68.833 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 57.051 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 0.675 nan 8.300 nan 0.000 0.547 271 E N -0.747 119.570 120.200 0.194 0.000 2.267 271 E HA -0.146 4.204 4.350 -0.000 0.000 0.197 271 E C 0.668 177.333 176.600 0.109 0.000 0.998 271 E CA 1.266 57.735 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 0.609 116.396 115.700 0.146 0.000 2.871 272 S HA 0.341 4.811 4.470 -0.000 0.000 0.254 272 S C 1.300 175.941 174.600 0.069 0.000 1.088 272 S CA -0.094 58.150 58.200 0.073 0.000 1.166 272 S CB 0.060 63.269 63.200 0.016 0.000 0.826 272 S HN 0.618 nan 8.310 nan 0.000 0.471 273 G N 2.328 111.181 108.800 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 0.594 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 1.734 122.205 120.400 0.120 0.000 2.600 274 K HA 0.159 4.479 4.320 -0.000 0.000 0.280 274 K C 0.216 177.011 176.600 0.324 0.000 0.971 274 K CA 1.122 57.506 56.287 0.161 0.000 1.053 274 K CB 0.169 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 4.242 124.769 120.400 0.212 0.000 2.316 275 K HA 0.399 4.719 4.320 -0.000 0.000 0.251 275 K C -0.971 175.711 176.600 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 33.665 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 -0.943 54.292 55.300 -0.109 0.000 0.842 276 M CB 2.362 34.972 32.600 0.017 0.000 1.743 276 M HN 0.581 nan 8.290 nan 0.000 0.461 277 D N 0.735 120.778 120.400 -0.596 0.000 2.278 277 D HA 0.706 5.345 4.640 -0.000 0.000 0.245 277 D C -1.607 174.212 176.300 -0.801 0.000 1.052 277 D CA 0.302 54.002 54.000 -0.500 0.000 0.834 277 D CB 1.253 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 0.402 120.317 119.950 -0.058 0.000 2.629 278 F HA 0.327 4.854 4.527 -0.000 0.000 0.316 278 F C 1.060 176.807 175.800 -0.090 0.000 1.081 278 F CA -0.814 57.144 58.000 -0.071 0.000 0.954 278 F CB 1.591 40.546 39.000 -0.075 0.000 1.337 278 F HN 0.145 nan 8.300 nan 0.000 0.474 279 D N 0.436 120.901 120.400 0.109 0.000 2.355 279 D HA 0.164 4.804 4.640 -0.000 0.000 0.206 279 D C -0.395 175.883 176.300 -0.036 0.000 1.010 279 D CA 0.884 54.883 54.000 -0.001 0.000 0.875 279 D CB 0.953 41.725 40.800 -0.047 0.000 0.966 279 D HN 0.119 nan 8.370 nan 0.000 0.512 280 L N 0.829 122.020 121.223 -0.053 0.000 2.505 280 L HA 0.323 4.663 4.340 -0.000 0.000 0.266 280 L C -1.604 175.163 176.870 -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 5.659 125.491 119.914 -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 5.015 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 4.157 123.686 119.600 -0.119 0.000 2.120 283 M HA 0.334 4.814 4.480 -0.000 0.000 0.354 283 M C -0.012 176.228 176.300 -0.101 0.000 1.287 283 M CA 0.042 55.283 55.300 -0.098 0.000 1.103 283 M CB 0.691 33.235 32.600 -0.095 0.000 1.623 283 M HN 0.811 nan 8.290 nan 0.000 0.471 284 A N 4.126 126.906 122.820 -0.067 0.000 2.806 284 A HA 0.365 4.685 4.320 -0.000 0.000 0.266 284 A C 0.913 178.497 177.584 -0.001 0.000 0.926 284 A CA -0.411 51.595 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 -3.924 116.655 120.570 0.015 0.000 3.059 285 I HA 0.523 4.693 4.170 -0.000 0.000 0.270 285 I C 0.815 177.007 176.117 0.127 0.000 1.238 285 I CA 0.672 62.012 61.300 0.067 0.000 1.478 285 I CB 0.300 38.336 38.000 0.060 0.000 1.097 285 I HN 0.311 nan 8.210 nan 0.000 0.455 286 G N 0.452 109.335 108.800 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 -1.163 175.217 176.300 0.133 0.000 0.977 287 R CA -0.705 55.489 56.100 0.156 0.000 0.906 287 R CB 2.371 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 2.275 118.067 115.700 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 65.567 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 -0.196 177.183 177.300 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 2.121 122.712 120.500 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 1.126 115.727 114.554 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 63.632 62.100 0.056 0.000 1.153 291 T CB 0.111 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 4.043 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 0.190 121.432 121.223 0.031 0.000 2.509 294 L HA 0.086 4.426 4.340 -0.000 0.000 0.222 294 L C 0.514 177.393 176.870 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 -0.824 118.978 119.800 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 2.685 179.553 176.870 -0.004 0.000 1.083 296 L CA 2.075 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 0.400 120.197 119.800 -0.005 0.000 2.181 297 Q HA -0.254 4.086 4.340 -0.000 0.000 0.205 297 Q C 1.462 177.456 176.000 -0.010 0.000 0.980 297 Q CA 2.023 57.821 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 1.711 120.405 118.700 -0.010 0.000 2.192 298 N HA -0.102 4.638 4.740 -0.000 0.000 0.188 298 N C 1.564 177.067 175.510 -0.012 0.000 1.013 298 N CA 2.155 55.198 53.050 -0.011 0.000 0.863 298 N CB -0.330 38.150 38.487 -0.011 0.000 0.990 298 N HN 0.537 nan 8.380 nan 0.000 0.430 299 A N -1.117 121.696 122.820 -0.013 0.000 2.115 299 A HA 0.496 4.816 4.320 -0.000 0.000 0.211 299 A C 1.308 178.881 177.584 -0.019 0.000 1.169 299 A CA 0.662 52.689 52.037 -0.017 0.000 0.787 299 A CB -0.064 18.924 19.000 -0.019 0.000 0.858 299 A HN 0.279 nan 8.150 nan 0.000 0.474 300 G N -0.561 108.230 108.800 -0.016 0.000 2.203 300 G HA2 -0.115 3.844 3.960 -0.000 0.000 0.231 300 G HA3 -0.115 3.844 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 -0.011 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 0.638 120.543 119.914 -0.015 0.000 2.649 301 V HA 0.617 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 4.206 123.803 119.600 -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 4.382 124.955 120.570 0.006 0.000 2.395 303 I HA 0.145 4.315 4.170 -0.000 0.000 0.289 303 I C 1.039 177.160 176.117 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 38.835 38.000 0.009 0.000 1.409 303 I HN 0.610 nan 8.210 nan 0.000 0.507 304 K N 4.244 124.647 120.400 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 -2.457 116.245 118.700 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 53.007 53.050 0.001 0.000 0.892 305 N CB 1.473 39.960 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 -0.237 3.722 3.960 -0.000 0.000 0.342 306 G HA3 -0.237 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 0.646 45.748 45.100 0.004 0.000 1.096 306 G HN 1.134 nan 8.290 nan 0.000 0.831 307 G N -1.103 107.709 108.800 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 -0.107 174.806 174.900 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 32.031 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 -1.122 174.891 176.000 0.021 0.000 0.941 309 Q CA -0.463 55.347 55.803 0.013 0.000 0.912 309 Q CB 1.835 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 3.140 123.069 119.914 0.026 0.000 2.932 310 V HA 0.178 4.298 4.120 -0.000 0.000 0.307 310 V C -0.904 175.219 176.094 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 0.060 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 0.064 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 -1.609 118.613 120.200 0.037 0.000 2.106 312 E HA -0.150 4.199 4.350 -0.000 0.000 0.192 312 E C 1.217 177.668 176.600 -0.247 0.000 0.984 312 E CA 1.015 57.344 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 0.160 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 1.233 117.036 115.700 0.171 0.000 3.783 314 S HA -0.192 4.278 4.470 -0.000 0.000 0.360 314 S C -0.174 174.584 174.600 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 61.725 63.200 0.144 0.000 0.893 314 S HN 0.652 nan 8.310 nan 0.000 0.475 315 R N -0.702 119.945 120.500 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 0.575 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 0.837 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 1.648 121.520 119.914 -0.069 0.000 2.493 318 V HA -0.040 4.080 4.120 -0.000 0.000 0.292 318 V C 1.289 177.295 176.094 -0.148 0.000 1.016 318 V CA 0.293 62.540 62.300 -0.089 0.000 1.097 318 V CB 0.914 32.687 31.823 -0.083 0.000 0.947 318 V HN 0.481 nan 8.190 nan 0.000 0.479 319 S N 3.019 118.640 115.700 -0.132 0.000 2.515 319 S HA -0.092 4.378 4.470 -0.000 0.000 0.231 319 S C 1.122 175.571 174.600 -0.253 0.000 0.987 319 S CA 0.668 58.773 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 1.062 119.609 118.700 -0.255 0.000 2.234 320 N HA 0.249 4.989 4.740 -0.000 0.000 0.227 320 N C -0.336 174.930 175.510 -0.408 0.000 1.151 320 N CA -0.347 52.539 53.050 -0.273 0.000 0.865 320 N CB -0.060 38.374 38.487 -0.089 0.000 1.066 320 N HN 0.433 nan 8.380 nan 0.000 0.515 321 I N 0.911 121.155 120.570 -0.545 0.000 2.433 321 I HA 0.403 4.573 4.170 -0.000 0.000 0.292 321 I C -1.019 174.733 176.117 -0.609 0.000 1.001 321 I CA -1.005 60.048 61.300 -0.412 0.000 1.119 321 I CB 1.132 39.029 38.000 -0.171 0.000 1.289 321 I HN -0.158 nan 8.210 nan 0.000 0.438 322 Y N 3.689 124.011 120.300 0.037 0.000 2.602 322 Y HA 0.854 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 1.933 40.424 38.460 0.052 0.000 1.284 322 Y HN 0.584 nan 8.280 nan 0.000 0.485 323 A N 1.738 124.688 122.820 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 1.232 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 -1.434 119.204 120.570 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 39.813 38.000 0.106 0.000 1.265 324 I HN 1.892 nan 8.210 nan 0.000 0.463 325 G N 2.403 111.260 108.800 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 41.252 40.800 0.100 0.000 0.955 326 D HN 0.390 nan 8.370 nan 0.000 0.515 327 V N 1.029 120.991 119.914 0.079 0.000 3.041 327 V HA -0.119 4.000 4.120 -0.000 0.000 0.260 327 V C 2.001 178.127 176.094 0.054 0.000 1.105 327 V CA 2.079 64.423 62.300 0.073 0.000 1.125 327 V CB -0.559 31.311 31.823 0.078 0.000 0.730 327 V HN 0.328 nan 8.190 nan 0.000 0.479 328 T N -2.497 112.085 114.554 0.047 0.000 3.085 328 T HA -0.048 4.302 4.350 -0.000 0.000 0.263 328 T C 1.245 175.947 174.700 0.004 0.000 1.127 328 T CA 0.678 62.793 62.100 0.025 0.000 1.103 328 T CB -0.492 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 0.855 119.563 118.700 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 0.539 53.591 53.050 0.004 0.000 0.714 329 N CB -1.045 37.445 38.487 0.006 0.000 0.959 329 N HN 0.627 nan 8.380 nan 0.000 0.544 330 R N -1.090 119.376 120.500 -0.057 0.000 1.357 330 R HA 0.458 4.798 4.340 -0.000 0.000 0.099 330 R C 0.095 176.338 176.300 -0.094 0.000 1.519 330 R CA 0.501 56.514 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 0.009 nan 8.270 nan 0.000 0.638 331 V N 2.443 122.315 119.914 -0.070 0.000 2.432 331 V HA 0.238 4.358 4.120 -0.000 0.000 0.275 331 V C 0.118 176.231 176.094 0.033 0.000 1.043 331 V CA 0.063 62.370 62.300 0.011 0.000 0.925 331 V CB 1.398 33.277 31.823 0.093 0.000 0.985 331 V HN 0.466 nan 8.190 nan 0.000 0.466 332 M N 6.403 126.014 119.600 0.019 0.000 3.176 332 M HA 0.390 4.869 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 0.082 32.713 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 0.379 4.718 4.340 -0.000 0.000 0.260 333 L C 0.998 177.913 176.870 0.074 0.000 0.963 333 L CA 0.095 54.970 54.840 0.059 0.000 0.829 333 L CB 2.220 44.303 42.059 0.038 0.000 1.348 333 L HN 0.318 nan 8.230 nan 0.000 0.408 334 T N 2.361 116.963 114.554 0.081 0.000 2.652 334 T HA -0.050 4.299 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 64.213 62.100 0.073 0.000 1.153 334 T CB -0.601 68.308 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 1.348 178.668 177.300 0.034 0.000 1.158 335 P CA 0.569 63.693 63.100 0.041 0.000 0.769 335 P CB -0.197 31.526 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 1.896 64.226 62.300 0.050 0.000 1.053 336 V CB -1.572 30.310 31.823 0.098 0.000 0.679 336 V HN 0.087 nan 8.190 nan 0.000 0.458 337 A N -0.100 122.767 122.820 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 -0.454 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 0.864 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 1.181 54.238 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 -0.210 4.140 4.350 -0.000 0.000 0.200 340 E C 1.945 178.584 176.600 0.064 0.000 1.012 340 E CA 1.365 57.801 56.400 0.059 0.000 0.812 340 E CB -0.143 29.624 29.700 0.112 0.000 0.743 340 E HN 0.391 nan 8.360 nan 0.000 0.453 341 A N 1.441 124.303 122.820 0.071 0.000 1.877 341 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 341 A C 2.419 180.053 177.584 0.083 0.000 1.186 341 A CA 1.893 53.978 52.037 0.080 0.000 0.620 341 A CB -0.736 18.314 19.000 0.084 0.000 0.822 341 A HN 0.313 nan 8.150 nan 0.000 0.443 342 A N -0.366 122.501 122.820 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 2.113 54.205 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 1.116 nan 8.150 nan 0.000 0.444 343 A N -0.952 121.907 122.820 0.064 0.000 2.123 343 A HA 0.230 4.550 4.320 -0.000 0.000 0.214 343 A C 2.028 179.643 177.584 0.053 0.000 1.152 343 A CA 0.870 52.942 52.037 0.057 0.000 0.728 343 A CB -0.349 18.666 19.000 0.026 0.000 0.814 343 A HN 0.493 nan 8.150 nan 0.000 0.464 344 L N 0.507 121.753 121.223 0.038 0.000 1.988 344 L HA -0.123 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 2.402 57.224 54.840 -0.030 0.000 0.744 344 L CB -0.482 41.556 42.059 -0.035 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 1.963 178.092 176.094 0.060 0.000 1.055 345 V CA 2.157 64.572 62.300 0.191 0.000 1.049 345 V CB -0.935 31.080 31.823 0.320 0.000 0.662 345 V HN 0.349 nan 8.190 nan 0.000 0.455 346 D N 0.500 120.972 120.400 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 1.923 55.987 54.000 0.107 0.000 0.842 346 D CB -0.298 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 -0.875 113.663 114.554 -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 -1.342 118.400 119.914 -0.287 0.000 2.795 348 V HA 0.266 4.385 4.120 -0.000 0.000 0.243 348 V C 1.648 177.372 176.094 -0.616 0.000 1.069 348 V CA 0.899 62.921 62.300 -0.464 0.000 1.089 348 V CB -0.773 30.634 31.823 -0.693 0.000 0.756 348 V HN 0.360 nan 8.190 nan 0.000 0.471 349 F N 2.041 121.764 119.950 -0.378 0.000 2.727 349 F HA 0.664 5.190 4.527 -0.000 0.000 0.302 349 F C 1.527 176.820 175.800 -0.846 0.000 1.097 349 F CA 0.335 58.011 58.000 -0.541 0.000 1.330 349 F CB -0.068 38.583 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 1.230 175.924 174.700 -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 0.688 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 -2.902 172.619 175.510 0.019 0.000 1.242 352 N CA -0.712 52.353 53.050 0.025 0.000 0.848 352 N CB 0.046 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 -0.057 120.603 120.500 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 31.537 30.300 0.084 0.000 1.269 354 R HN 0.598 nan 8.270 nan 0.000 0.459 355 K N 0.845 121.186 120.400 -0.098 0.000 2.375 355 K HA 0.553 4.872 4.320 -0.000 0.000 0.249 355 K C -0.461 176.044 176.600 -0.159 0.000 0.942 355 K CA -0.866 55.280 56.287 -0.235 0.000 0.806 355 K CB 2.180 34.368 32.500 -0.521 0.000 1.227 355 K HN 0.162 nan 8.250 nan 0.000 0.430 356 T N 1.512 115.961 114.554 -0.175 0.000 2.884 356 T HA 0.014 4.364 4.350 -0.000 0.000 0.298 356 T C -0.599 173.884 174.700 -0.360 0.000 0.998 356 T CA 0.030 61.965 62.100 -0.274 0.000 1.124 356 T CB 0.524 69.164 68.868 -0.380 0.000 0.931 356 T HN 0.487 nan 8.240 nan 0.000 0.531 357 D N 1.398 121.632 120.400 -0.277 0.000 2.365 357 D HA 0.110 4.750 4.640 -0.000 0.000 0.237 357 D C 0.594 176.740 176.300 -0.258 0.000 1.190 357 D CA -0.149 53.734 54.000 -0.195 0.000 0.867 357 D CB 0.431 41.169 40.800 -0.103 0.000 1.050 357 D HN 0.572 nan 8.370 nan 0.000 0.491 358 H N 0.825 119.878 119.070 -0.028 0.000 2.547 358 H HA 0.090 4.646 4.556 -0.000 0.000 0.266 358 H C 0.645 175.959 175.328 -0.023 0.000 0.988 358 H CA 0.391 56.424 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 -1.263 113.314 114.554 0.039 0.000 2.922 359 T HA 0.233 4.583 4.350 -0.000 0.000 0.285 359 T C 0.551 175.248 174.700 -0.004 0.000 1.005 359 T CA -1.023 61.090 62.100 0.022 0.000 1.061 359 T CB 1.340 70.219 68.868 0.019 0.000 1.007 359 T HN 0.219 nan 8.240 nan 0.000 0.502 360 R N -0.451 120.044 120.500 -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 0.464 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 5.234 128.038 122.820 -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 0.090 52.109 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 -0.171 115.519 115.700 -0.015 0.000 2.671 363 S HA 0.901 5.371 4.470 -0.000 0.000 0.277 363 S C -0.630 173.978 174.600 0.014 0.000 1.165 363 S CA -0.201 58.005 58.200 0.009 0.000 0.822 363 S CB 1.579 64.777 63.200 -0.004 0.000 1.150 363 S HN 2.250 nan 8.310 nan 0.000 0.479 364 A N 0.422 123.254 122.820 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 -0.583 175.440 176.094 -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 3.074 123.041 119.950 0.028 0.000 2.871 366 F HA 0.219 4.745 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 -0.316 57.668 58.000 -0.027 0.000 1.311 366 F CB -0.130 38.847 39.000 -0.038 0.000 1.380 366 F HN 0.571 nan 8.300 nan 0.000 0.557 367 S N -0.128 115.583 115.700 0.019 0.000 2.634 367 S HA 0.555 5.025 4.470 -0.000 0.000 0.261 367 S C -0.149 174.438 174.600 -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 2.139 122.692 120.570 -0.028 0.000 2.405 368 I HA 0.357 4.527 4.170 -0.000 0.000 0.280 368 I C -2.465 173.645 176.117 -0.012 0.000 1.027 368 I CA -2.091 59.194 61.300 -0.024 0.000 1.161 368 I CB 1.358 39.339 38.000 -0.032 0.000 1.300 368 I HN 0.459 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 -1.989 61.094 63.100 -0.029 0.000 0.824 369 P CB 0.351 32.036 31.700 -0.026 0.000 1.092 370 P HA 0.353 nan 4.420 nan 0.000 0.277 370 P C -0.576 176.641 177.300 -0.138 0.000 1.271 370 P CA -0.125 62.900 63.100 -0.125 0.000 0.795 370 P CB 0.850 32.439 31.700 -0.184 0.000 1.101 371 I N -0.712 119.762 120.570 -0.160 0.000 2.545 371 I HA 0.531 4.701 4.170 -0.000 0.000 0.292 371 I C 0.288 176.349 176.117 -0.093 0.000 1.040 371 I CA -0.457 60.784 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 2.456 111.223 108.800 -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 -0.836 113.718 114.554 0.001 0.000 2.932 373 T HA 0.559 4.909 4.350 -0.000 0.000 0.318 373 T C -1.537 173.096 174.700 -0.112 0.000 1.265 373 T CA -0.510 61.569 62.100 -0.035 0.000 1.036 373 T CB 1.482 70.407 68.868 0.095 0.000 1.209 373 T HN 1.201 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 0.664 175.510 174.990 -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 27.867 27.740 -0.115 0.000 1.691 374 C HN 1.906 nan 8.230 nan 0.000 0.511 375 G N 4.156 112.873 108.800 -0.138 0.000 2.615 375 G HA2 -0.081 3.878 3.960 -0.000 0.000 0.218 375 G HA3 -0.081 3.878 3.960 -0.000 0.000 0.218 375 G C -1.032 173.844 174.900 -0.041 0.000 1.339 375 G CA -0.281 44.759 45.100 -0.100 0.000 0.884 375 G HN 1.092 nan 8.290 nan 0.000 0.559 376 L N 0.951 122.177 121.223 0.003 0.000 2.371 376 L HA 0.521 4.860 4.340 -0.000 0.000 0.272 376 L C 1.360 178.325 176.870 0.159 0.000 1.124 376 L CA -0.672 54.203 54.840 0.058 0.000 0.816 376 L CB 0.947 43.035 42.059 0.049 0.000 1.129 376 L HN 0.661 nan 8.230 nan 0.000 0.448 377 I N -0.907 119.711 120.570 0.079 0.000 2.519 377 I HA 0.154 4.324 4.170 -0.000 0.000 0.287 377 I C 1.148 177.241 176.117 -0.039 0.000 1.047 377 I CA -0.467 60.815 61.300 -0.030 0.000 1.381 377 I CB 0.809 38.727 38.000 -0.137 0.000 1.417 377 I HN 0.753 nan 8.210 nan 0.000 0.540 378 E N 3.232 123.393 120.200 -0.066 0.000 2.246 378 E HA -0.348 4.002 4.350 -0.000 0.000 0.232 378 E C 1.550 178.014 176.600 -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 0.813 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 -0.325 119.551 119.914 -0.062 0.000 2.788 380 V HA 0.111 4.230 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 63.286 62.300 -0.018 0.000 1.103 380 V CB -0.259 31.565 31.823 0.001 0.000 0.800 380 V HN 0.274 nan 8.190 nan 0.000 0.476 381 A N 1.553 124.394 122.820 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 -0.722 18.331 19.000 0.087 0.000 0.814 381 A HN 0.669 nan 8.150 nan 0.000 0.444 382 S N -0.181 115.495 115.700 -0.040 0.000 2.469 382 S HA -0.119 4.351 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 1.448 59.615 58.200 -0.055 0.000 0.957 382 S CB -0.224 62.763 63.200 -0.355 0.000 0.764 382 S HN 0.660 nan 8.310 nan 0.000 0.514 383 K N 0.277 120.681 120.400 0.008 0.000 2.356 383 K HA 0.249 4.568 4.320 -0.000 0.000 0.195 383 K C 2.121 178.703 176.600 -0.030 0.000 1.037 383 K CA 0.200 56.488 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 -0.811 119.662 120.500 -0.044 0.000 2.206 384 R HA 0.133 4.473 4.340 -0.000 0.000 0.198 384 R C -0.174 175.826 176.300 -0.501 0.000 0.986 384 R CA 0.600 56.538 56.100 -0.270 0.000 1.029 384 R CB 0.422 30.524 30.300 -0.329 0.000 0.966 384 R HN 0.008 nan 8.270 nan 0.000 0.487 385 Y N -0.925 119.389 120.300 0.024 0.000 2.536 385 Y HA 0.241 4.790 4.550 -0.000 0.000 0.347 385 Y C 1.077 177.014 175.900 0.063 0.000 1.000 385 Y CA -1.104 57.021 58.100 0.042 0.000 1.051 385 Y CB 1.691 40.180 38.460 0.049 0.000 1.259 385 Y HN -0.173 nan 8.280 nan 0.000 0.468 386 E N 0.644 120.969 120.200 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 1.305 121.351 119.914 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 0.207 0.000 0.905 388 V CB 1.855 33.775 31.823 0.161 0.000 0.997 388 V HN 1.156 nan 8.190 nan 0.000 0.436 389 A N 3.968 126.795 122.820 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 -0.196 0.000 1.170 389 A CA -0.525 51.332 52.037 -0.300 0.000 0.810 389 A CB 1.470 20.237 19.000 -0.388 0.000 1.198 389 A HN 0.671 nan 8.150 nan 0.000 0.484 390 V N 3.073 122.690 119.914 -0.496 0.000 2.384 390 V HA 0.347 4.467 4.120 -0.000 0.000 0.287 390 V C -1.278 174.604 176.094 -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 4.941 125.099 120.300 -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 -1.120 56.900 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 3.135 124.433 121.223 0.124 0.000 2.385 392 L HA 0.671 5.011 4.340 -0.000 0.000 0.273 392 L C -1.042 175.929 176.870 0.167 0.000 0.990 392 L CA -0.256 54.671 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 2.873 118.696 115.700 0.205 0.000 2.736 393 S HA 0.712 5.182 4.470 -0.000 0.000 0.285 393 S C -1.196 173.590 174.600 0.309 0.000 1.163 393 S CA -0.287 58.077 58.200 0.274 0.000 1.025 393 S CB 1.142 64.543 63.200 0.334 0.000 1.030 393 S HN 0.682 nan 8.310 nan 0.000 0.486 394 S N 4.359 120.226 115.700 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 0.181 0.000 0.999 394 S CB 0.951 64.209 63.200 0.097 0.000 1.034 394 S HN 0.757 nan 8.310 nan 0.000 0.483 395 F N -1.666 118.388 119.950 0.174 0.000 2.665 395 F HA 0.590 5.117 4.527 -0.000 0.000 0.308 395 F C -0.743 175.147 175.800 0.150 0.000 1.112 395 F CA -0.938 57.144 58.000 0.137 0.000 0.972 395 F CB 0.491 39.560 39.000 0.116 0.000 1.295 395 F HN 0.294 nan 8.300 nan 0.000 0.440 396 T N 3.803 118.477 114.554 0.200 0.000 2.737 396 T HA 0.384 4.734 4.350 -0.000 0.000 0.296 396 T C -2.525 172.355 174.700 0.300 0.000 0.922 396 T CA -0.848 61.348 62.100 0.160 0.000 1.079 396 T CB 0.504 69.447 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 1.247 178.665 177.300 0.197 0.000 1.205 397 P CA -0.471 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 3.122 124.428 121.223 0.137 0.000 2.013 398 L HA -0.218 4.121 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 2.380 57.269 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 0.509 nan 8.230 nan 0.000 0.432 399 M N -2.201 117.428 119.600 0.049 0.000 2.346 399 M HA -0.218 4.262 4.480 -0.000 0.000 0.263 399 M C 1.539 177.844 176.300 0.009 0.000 1.064 399 M CA 1.747 57.090 55.300 0.072 0.000 1.083 399 M CB -0.566 32.021 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 0.954 176.296 175.328 0.024 0.000 0.977 400 H CA 0.599 56.684 56.048 0.062 0.000 1.179 400 H CB -0.159 29.609 29.762 0.010 0.000 1.458 400 H HN 0.620 nan 8.280 nan 0.000 0.531 401 N N 0.666 119.443 118.700 0.130 0.000 2.135 401 N HA -0.060 4.680 4.740 -0.000 0.000 0.186 401 N C 1.919 177.445 175.510 0.027 0.000 1.027 401 N CA 1.231 54.323 53.050 0.070 0.000 0.849 401 N CB 0.148 38.667 38.487 0.054 0.000 1.002 401 N HN 0.347 nan 8.380 nan 0.000 0.425 402 I N -1.266 119.294 120.570 -0.016 0.000 3.428 402 I HA 0.099 4.269 4.170 -0.000 0.000 0.286 402 I C 1.787 177.817 176.117 -0.146 0.000 1.287 402 I CA 0.504 61.721 61.300 -0.137 0.000 1.396 402 I CB -0.174 37.648 38.000 -0.296 0.000 1.062 402 I HN 0.074 nan 8.210 nan 0.000 0.471 403 S N 1.060 116.798 115.700 0.063 0.000 2.421 403 S HA 0.301 4.771 4.470 -0.000 0.000 0.224 403 S C 1.782 176.472 174.600 0.150 0.000 1.035 403 S CA 0.812 59.147 58.200 0.226 0.000 0.953 403 S CB 0.117 63.565 63.200 0.413 0.000 0.810 403 S HN 0.697 nan 8.310 nan 0.000 0.497 404 G N 0.190 109.053 108.800 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 1.366 117.018 115.700 -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 63.391 63.200 -0.732 0.000 1.385 405 S HN 0.555 nan 8.310 nan 0.000 0.490 406 K N 0.736 121.037 120.400 -0.164 0.000 2.280 406 K HA -0.160 4.160 4.320 -0.000 0.000 0.202 406 K C 1.458 178.036 176.600 -0.037 0.000 1.047 406 K CA 1.234 57.497 56.287 -0.041 0.000 0.942 406 K CB -0.480 32.045 32.500 0.043 0.000 0.739 406 K HN 0.758 nan 8.250 nan 0.000 0.457 407 Y N 0.714 121.006 120.300 -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 2.673 122.876 120.400 -0.329 0.000 2.110 408 K HA 0.144 4.464 4.320 -0.000 0.000 0.260 408 K C -0.379 176.151 176.600 -0.118 0.000 1.126 408 K CA 0.078 56.197 56.287 -0.280 0.000 1.005 408 K CB -0.056 32.033 32.500 -0.686 0.000 1.336 408 K HN 0.196 nan 8.250 nan 0.000 0.369 409 T N 2.118 116.644 114.554 -0.046 0.000 2.909 409 T HA 0.181 4.531 4.350 -0.000 0.000 0.289 409 T C -0.410 174.228 174.700 -0.103 0.000 1.005 409 T CA -0.341 61.722 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 3.299 122.997 119.950 -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 56.955 58.000 -0.459 0.000 1.090 410 F CB 0.677 39.198 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 -0.276 175.650 176.094 -0.280 0.000 1.026 411 V CA -0.641 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 5.341 128.182 122.820 0.036 0.000 2.357 412 A HA 0.760 5.080 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 1.042 20.281 19.000 0.399 0.000 1.181 412 A HN 0.709 nan 8.150 nan 0.000 0.454 413 K N 2.456 122.931 120.400 0.125 0.000 2.378 413 K HA 0.738 5.058 4.320 -0.000 0.000 0.252 413 K C -1.577 175.084 176.600 0.101 0.000 0.931 413 K CA -0.511 55.859 56.287 0.138 0.000 0.794 413 K CB 1.547 34.140 32.500 0.156 0.000 1.181 413 K HN 0.703 nan 8.250 nan 0.000 0.425 414 I N 6.069 126.671 120.570 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 39.181 38.000 -0.331 0.000 1.223 414 I HN 0.539 nan 8.210 nan 0.000 0.443 415 I N 2.977 123.523 120.570 -0.039 0.000 2.437 415 I HA 0.696 4.866 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 0.217 61.507 61.300 -0.017 0.000 1.214 415 I CB 2.031 40.043 38.000 0.020 0.000 1.365 415 I HN 0.353 nan 8.210 nan 0.000 0.469 416 T N 4.111 118.633 114.554 -0.054 0.000 2.893 416 T HA 0.324 4.674 4.350 -0.000 0.000 0.293 416 T C -0.683 173.973 174.700 -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 1.791 120.374 118.700 -0.195 0.000 2.406 417 N HA 0.046 4.785 4.740 -0.000 0.000 0.265 417 N C 0.811 176.352 175.510 0.053 0.000 1.203 417 N CA 0.250 53.190 53.050 -0.184 0.000 0.945 417 N CB 0.479 38.736 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 0.983 176.368 175.328 0.094 0.000 1.034 418 H CA 1.333 57.449 56.048 0.113 0.000 1.278 418 H CB 0.353 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 1.009 175.599 174.600 -0.018 0.000 0.978 419 S CA 0.974 59.181 58.200 0.011 0.000 0.934 419 S CB 0.169 63.418 63.200 0.081 0.000 0.766 419 S HN 0.848 nan 8.310 nan 0.000 0.533 420 D N -2.010 118.381 120.400 -0.014 0.000 2.184 420 D HA 0.072 4.711 4.640 -0.000 0.000 0.508 420 D C 0.999 177.292 176.300 -0.012 0.000 0.947 420 D CA 0.807 54.799 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 0.387 nan 8.370 nan 0.000 0.467 421 G N 1.178 109.976 108.800 -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 0.403 175.267 174.900 -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 0.048 114.559 114.554 -0.072 0.000 2.829 422 T HA 0.465 4.814 4.350 -0.000 0.000 0.293 422 T C 0.677 175.280 174.700 -0.163 0.000 0.970 422 T CA -0.097 61.944 62.100 -0.100 0.000 1.168 422 T CB 2.053 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 5.745 125.543 119.914 -0.193 0.000 2.493 423 V HA 0.028 4.147 4.120 -0.000 0.000 0.292 423 V C 1.454 177.422 176.094 -0.209 0.000 1.016 423 V CA 0.118 62.254 62.300 -0.274 0.000 1.097 423 V CB -0.296 31.273 31.823 -0.424 0.000 0.947 423 V HN 0.883 nan 8.190 nan 0.000 0.479 424 L N 4.172 125.266 121.223 -0.215 0.000 2.253 424 L HA 0.425 4.765 4.340 -0.000 0.000 0.205 424 L C 1.110 177.902 176.870 -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 -0.297 44.677 45.100 -0.211 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 -0.677 175.047 176.094 -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 4.907 123.967 119.070 -0.018 0.000 2.877 427 H HA 0.641 5.197 4.556 -0.000 0.000 0.347 427 H C -1.411 173.892 175.328 -0.043 0.000 1.042 427 H CA -0.551 55.486 56.048 -0.019 0.000 1.276 427 H CB 2.136 31.892 29.762 -0.010 0.000 1.681 427 H HN 0.498 nan 8.280 nan 0.000 0.521 428 L N 1.907 123.138 121.223 0.013 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 2.125 44.074 42.059 -0.183 0.000 1.330 428 L HN 0.302 nan 8.230 nan 0.000 0.410 429 L N 1.473 122.464 121.223 -0.388 0.000 2.362 429 L HA 1.101 5.441 4.340 -0.000 0.000 0.275 429 L C -0.075 176.514 176.870 -0.469 0.000 0.998 429 L CA 0.337 54.990 54.840 -0.312 0.000 0.820 429 L CB 1.585 43.525 42.059 -0.199 0.000 1.270 429 L HN 0.981 nan 8.230 nan 0.000 0.415 430 G N 2.453 111.112 108.800 -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 54.938 54.000 0.147 0.000 0.872 431 D CB 0.573 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 0.545 nan 8.380 nan 0.000 0.579 433 A N 0.467 123.327 122.820 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 54.250 52.037 0.021 0.000 0.631 433 A CB -1.149 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 1.225 178.515 177.300 -0.017 0.000 1.150 434 P CA 1.116 64.145 63.100 -0.118 0.000 0.832 434 P CB -0.019 31.510 31.700 -0.286 0.000 0.787 435 E N -0.363 119.847 120.200 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 57.401 56.400 0.036 0.000 0.801 435 E CB -0.765 28.961 29.700 0.043 0.000 0.750 435 E HN 0.332 nan 8.360 nan 0.000 0.452 436 I N 0.741 121.342 120.570 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 -0.206 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 0.553 121.144 120.570 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 62.725 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 -0.100 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 -0.701 28.044 28.738 0.013 0.000 0.898 438 Q HN 0.576 nan 8.270 nan 0.000 0.430 439 G N -0.277 108.521 108.800 -0.004 0.000 2.432 439 G HA2 -0.153 3.806 3.960 -0.000 0.000 0.219 439 G HA3 -0.153 3.806 3.960 -0.000 0.000 0.219 439 G C 1.494 176.380 174.900 -0.024 0.000 1.135 439 G CA 0.802 45.888 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 1.589 63.922 62.300 0.055 0.000 1.083 440 V CB -0.386 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 0.130 108.936 108.800 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 1.522 176.420 174.900 -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 2.781 178.893 176.117 -0.009 0.000 1.102 442 I CA 0.316 61.608 61.300 -0.013 0.000 1.385 442 I CB -0.415 37.572 38.000 -0.022 0.000 1.064 442 I HN 0.155 nan 8.210 nan 0.000 0.414 443 C N 0.593 119.889 119.300 -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 0.638 121.896 121.223 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 1.737 56.595 54.840 0.029 0.000 0.759 444 L CB -0.616 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 -1.056 119.346 120.400 0.003 0.000 2.487 445 K HA 0.084 4.404 4.320 -0.000 0.000 0.192 445 K C 1.571 178.170 176.600 -0.002 0.000 1.027 445 K CA 0.167 56.452 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 0.557 121.781 121.223 0.002 0.000 2.567 446 L HA 0.069 4.409 4.340 -0.000 0.000 0.225 446 L C -0.310 176.563 176.870 0.004 0.000 1.119 446 L CA -0.049 54.791 54.840 -0.001 0.000 0.871 446 L CB -0.002 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 0.626 119.332 118.700 0.010 0.000 2.771 447 N HA -0.133 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 -1.006 37.483 38.487 0.003 0.000 0.928 447 N HN 0.310 nan 8.380 nan 0.000 0.551 448 A N 0.354 123.202 122.820 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 0.398 52.489 52.037 0.091 0.000 0.766 448 A CB 0.614 19.780 19.000 0.277 0.000 1.003 448 A HN 0.257 nan 8.150 nan 0.000 0.497 449 K N 0.894 121.301 120.400 0.011 0.000 2.090 449 K HA 0.377 4.697 4.320 -0.000 0.000 0.249 449 K C 1.052 177.594 176.600 -0.097 0.000 0.995 449 K CA -0.491 55.762 56.287 -0.058 0.000 0.914 449 K CB 0.795 33.256 32.500 -0.065 0.000 1.057 449 K HN 0.549 nan 8.250 nan 0.000 0.462 450 I N 1.266 121.714 120.570 -0.203 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 -0.398 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 1.129 116.517 115.700 -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 58.957 58.200 -1.012 0.000 1.005 451 S CB -1.132 61.840 63.200 -0.379 0.000 0.867 451 S HN 0.677 nan 8.310 nan 0.000 0.449 452 D N -0.530 119.696 120.400 -0.290 0.000 2.324 452 D HA 0.168 4.807 4.640 -0.000 0.000 0.235 452 D C 0.923 177.184 176.300 -0.064 0.000 1.095 452 D CA -0.068 53.843 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 0.602 120.395 119.950 -0.261 0.000 2.104 453 F HA 0.010 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 0.546 58.460 58.000 -0.143 0.000 1.208 453 F CB -0.773 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 -1.150 119.259 120.300 0.181 0.000 2.639 454 Y HA 0.051 4.601 4.550 -0.000 0.000 0.297 454 Y C 1.337 177.272 175.900 0.058 0.000 1.151 454 Y CA 0.594 58.755 58.100 0.102 0.000 1.335 454 Y CB -1.988 36.527 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 0.207 38.686 38.487 -0.013 0.000 0.969 455 N HN 0.209 nan 8.380 nan 0.000 0.459 456 T N 1.053 115.611 114.554 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 -0.296 61.789 62.100 -0.025 0.000 1.091 456 T CB 1.671 70.487 68.868 -0.085 0.000 0.936 456 T HN 0.009 nan 8.240 nan 0.000 0.503 457 I N 2.663 123.229 120.570 -0.007 0.000 2.533 457 I HA 0.245 4.415 4.170 -0.000 0.000 0.284 457 I C 1.414 177.528 176.117 -0.005 0.000 1.109 457 I CA -0.181 61.118 61.300 -0.002 0.000 1.412 457 I CB 0.445 38.442 38.000 -0.006 0.000 1.396 457 I HN 0.708 nan 8.210 nan 0.000 0.543 458 G N 5.467 114.268 108.800 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 -0.432 174.482 174.900 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 1.857 121.791 119.914 0.033 0.000 2.318 459 V HA 0.216 4.336 4.120 -0.000 0.000 0.271 459 V C -0.237 175.906 176.094 0.083 0.000 1.030 459 V CA -0.543 61.782 62.300 0.042 0.000 0.844 459 V CB 0.497 32.328 31.823 0.013 0.000 1.015 459 V HN 0.801 nan 8.190 nan 0.000 0.460 460 H N 6.491 125.545 119.070 -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 -1.299 175.886 177.300 -0.191 0.000 1.342 461 P CA -0.667 62.128 63.100 -0.510 0.000 0.801 461 P CB 1.062 32.368 31.700 -0.657 0.000 0.920 462 T N -2.061 112.434 114.554 -0.098 0.000 2.896 462 T HA 0.391 4.741 4.350 -0.000 0.000 0.297 462 T C 0.906 175.555 174.700 -0.084 0.000 1.108 462 T CA -0.449 61.608 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 0.470 116.094 115.700 -0.127 0.000 2.522 463 S HA 0.151 4.620 4.470 -0.000 0.000 0.227 463 S C 2.199 176.695 174.600 -0.174 0.000 0.986 463 S CA 0.265 58.294 58.200 -0.284 0.000 0.929 463 S CB -0.665 62.161 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 1.273 53.346 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 -0.143 120.076 120.200 0.032 0.000 2.401 465 E HA -0.239 4.111 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 1.289 57.715 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 1.168 121.413 120.200 0.076 0.000 2.204 466 E HA -0.119 4.231 4.350 -0.000 0.000 0.195 466 E C 1.827 178.543 176.600 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 0.473 nan 8.360 nan 0.000 0.477 467 L N -0.923 120.430 121.223 0.216 0.000 2.156 467 L HA -0.112 4.227 4.340 -0.000 0.000 0.208 467 L C 1.747 178.794 176.870 0.294 0.000 1.095 467 L CA 0.708 55.715 54.840 0.278 0.000 0.770 467 L CB -0.098 42.158 42.059 0.327 0.000 0.914 467 L HN 0.195 nan 8.230 nan 0.000 0.439 468 C N -1.363 118.057 119.300 0.199 0.000 2.559 468 C HA 0.158 4.618 4.460 -0.000 0.000 0.300 468 C C 2.083 177.179 174.990 0.176 0.000 1.288 468 C CA -0.085 59.044 59.018 0.186 0.000 1.699 468 C CB -1.088 26.704 27.740 0.087 0.000 1.819 468 C HN 0.326 nan 8.230 nan 0.000 0.600 469 S N 0.077 115.872 115.700 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 -0.054 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 2.009 121.718 119.600 0.183 0.000 2.289 470 M HA 0.357 4.836 4.480 -0.000 0.000 0.354 470 M C 1.122 177.581 176.300 0.265 0.000 1.210 470 M CA -0.354 55.077 55.300 0.218 0.000 1.174 470 M CB 0.784 33.529 32.600 0.242 0.000 1.297 470 M HN 0.002 nan 8.290 nan 0.000 0.423 471 R N 1.025 121.577 120.500 0.088 0.000 2.039 471 R HA 0.156 4.496 4.340 -0.000 0.000 0.218 471 R C 0.568 176.949 176.300 0.136 0.000 1.220 471 R CA 1.018 57.014 56.100 -0.173 0.000 0.993 471 R CB -0.010 30.007 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 0.320 4.670 4.350 -0.000 0.000 0.296 472 T C -2.352 172.110 174.700 -0.396 0.000 0.968 472 T CA -1.750 60.285 62.100 -0.108 0.000 1.107 472 T CB 1.176 69.992 68.868 -0.087 0.000 0.916 472 T HN 0.044 nan 8.240 nan 0.000 0.517 473 P HA 0.162 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 -1.480 113.838 115.700 -0.636 0.000 2.613 474 S HA 0.222 4.692 4.470 -0.000 0.000 0.235 474 S C -0.330 174.210 174.600 -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 -1.630 118.409 120.300 -0.436 0.000 2.818 475 Y HA 0.720 5.269 4.550 -0.000 0.000 0.341 475 Y C -1.692 173.852 175.900 -0.593 0.000 1.283 475 Y CA -2.131 55.751 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 -0.925 119.341 120.300 -0.056 0.000 2.662 476 Y HA 0.690 5.240 4.550 -0.000 0.000 0.335 476 Y C -1.439 174.390 175.900 -0.120 0.000 1.066 476 Y CA -1.652 56.385 58.100 -0.105 0.000 1.116 476 Y CB 1.806 40.210 38.460 -0.095 0.000 1.308 476 Y HN 0.574 nan 8.280 nan 0.000 0.502 477 Y N 0.103 120.535 120.300 0.220 0.000 2.402 477 Y HA 0.459 5.009 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 -1.042 57.161 58.100 0.173 0.000 1.278 477 Y CB 1.452 39.995 38.460 0.139 0.000 1.105 477 Y HN 0.255 nan 8.280 nan 0.000 0.476 478 V N 4.276 124.314 119.914 0.207 0.000 2.169 478 V HA 0.219 4.339 4.120 -0.000 0.000 0.271 478 V C 0.293 176.472 176.094 0.140 0.000 1.372 478 V CA -0.548 61.844 62.300 0.153 0.000 1.348 478 V CB -0.194 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 0.905 121.414 120.400 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 1.847 58.232 56.287 0.163 0.000 1.904 479 K CB -1.671 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 0.557 109.462 108.800 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 -0.374 44.827 45.100 0.169 0.000 0.962 480 G HN 0.212 nan 8.290 nan 0.000 0.486 481 E N 0.253 120.364 120.200 -0.149 0.000 2.366 481 E HA 0.196 4.546 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 56.418 56.400 -0.580 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 4.519 4.480 -0.000 0.000 0.294 483 M C 0.241 176.617 176.300 0.128 0.000 1.556 483 M CA 0.459 55.852 55.300 0.154 0.000 1.568 483 M CB -1.093 31.550 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