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_D 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 -0.395 0.000 1.063 4 I CA 0.000 61.157 61.300 -0.237 0.000 1.566 4 I CB 0.000 37.943 38.000 -0.096 0.000 1.214 5 F N 5.417 125.406 119.950 0.065 0.000 2.523 5 F HA 0.482 5.009 4.527 -0.000 0.000 0.329 5 F C 1.246 177.106 175.800 0.099 0.000 1.061 5 F CA -0.392 57.659 58.000 0.085 0.000 0.967 5 F CB 1.290 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 -0.099 176.417 176.300 0.360 0.000 0.972 6 D CA 1.512 55.693 54.000 0.302 0.000 0.835 6 D CB 0.465 41.427 40.800 0.270 0.000 0.966 6 D HN 0.111 nan 8.370 nan 0.000 0.476 7 L N 0.598 122.010 121.223 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 2.484 44.705 42.059 0.269 0.000 1.296 7 L HN -0.355 nan 8.230 nan 0.000 0.405 8 V N 5.526 125.518 119.914 0.129 0.000 2.350 8 V HA 0.463 4.583 4.120 -0.000 0.000 0.285 8 V C -0.468 175.666 176.094 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 33.500 31.823 0.021 0.000 1.000 8 V HN 0.470 nan 8.190 nan 0.000 0.433 9 V N 6.516 126.465 119.914 0.059 0.000 2.348 9 V HA 0.386 4.506 4.120 -0.000 0.000 0.270 9 V C 0.271 176.396 176.094 0.051 0.000 1.037 9 V CA -0.319 62.029 62.300 0.079 0.000 0.872 9 V CB 1.237 33.118 31.823 0.097 0.000 1.002 9 V HN 0.686 nan 8.190 nan 0.000 0.464 10 I N 5.249 125.847 120.570 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 0.239 38.254 38.000 0.023 0.000 1.433 10 I HN 0.885 nan 8.210 nan 0.000 0.509 11 G N 4.646 113.446 108.800 0.000 0.000 3.353 11 G HA2 0.075 4.035 3.960 -0.000 0.000 0.682 11 G HA3 0.075 4.035 3.960 -0.000 0.000 0.682 11 G C -0.178 174.750 174.900 0.047 0.000 1.192 11 G CA -0.471 44.635 45.100 0.010 0.000 1.111 11 G HN 0.889 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 -0.396 108.416 108.800 0.020 0.000 2.582 13 G HA2 0.338 4.298 3.960 -0.000 0.000 0.232 13 G HA3 0.338 4.298 3.960 -0.000 0.000 0.232 13 G C 1.137 176.033 174.900 -0.006 0.000 1.458 13 G CA 0.498 45.608 45.100 0.017 0.000 1.062 13 G HN 0.357 nan 8.290 nan 0.000 0.566 14 S N -0.526 115.189 115.700 0.025 0.000 2.362 14 S HA -0.019 4.451 4.470 -0.000 0.000 0.221 14 S C 2.424 177.048 174.600 0.039 0.000 1.032 14 S CA 1.300 59.518 58.200 0.030 0.000 0.973 14 S CB -0.469 62.761 63.200 0.050 0.000 0.849 14 S HN 0.714 nan 8.310 nan 0.000 0.465 15 G N 0.909 109.742 108.800 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 1.625 176.573 174.900 0.081 0.000 1.201 16 G CA 0.751 45.897 45.100 0.076 0.000 0.784 16 G HN 0.287 nan 8.290 nan 0.000 0.545 17 L N 0.879 122.132 121.223 0.049 0.000 2.265 17 L HA 0.052 4.392 4.340 -0.000 0.000 0.215 17 L C 2.537 179.452 176.870 0.074 0.000 1.117 17 L CA 1.778 56.642 54.840 0.040 0.000 0.782 17 L CB -0.471 41.521 42.059 -0.113 0.000 0.914 17 L HN 0.412 nan 8.230 nan 0.000 0.441 18 E N -0.511 119.733 120.200 0.074 0.000 2.076 18 E HA -0.098 4.252 4.350 -0.000 0.000 0.190 18 E C 2.175 178.860 176.600 0.143 0.000 0.979 18 E CA 1.311 57.774 56.400 0.105 0.000 0.807 18 E CB -0.132 29.615 29.700 0.077 0.000 0.761 18 E HN 0.331 nan 8.360 nan 0.000 0.454 19 A N 0.778 123.669 122.820 0.118 0.000 1.968 19 A HA 0.113 4.433 4.320 -0.000 0.000 0.217 19 A C 2.399 180.043 177.584 0.099 0.000 1.169 19 A CA 1.617 53.725 52.037 0.119 0.000 0.638 19 A CB -0.862 18.208 19.000 0.115 0.000 0.812 19 A HN 0.387 nan 8.150 nan 0.000 0.446 20 A N -0.976 121.903 122.820 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 -0.907 18.150 19.000 0.095 0.000 0.822 20 A HN 0.861 nan 8.150 nan 0.000 0.443 21 W N 0.877 122.121 121.300 -0.093 0.000 2.388 21 W HA -0.137 4.523 4.660 -0.000 0.000 0.294 21 W C 1.485 177.950 176.519 -0.090 0.000 1.212 21 W CA 1.765 59.039 57.345 -0.118 0.000 1.271 21 W CB -0.372 29.024 29.460 -0.106 0.000 1.126 21 W HN 0.399 nan 8.180 nan 0.000 0.535 22 N N 0.713 119.453 118.700 0.067 0.000 2.244 22 N HA -0.083 4.657 4.740 -0.000 0.000 0.183 22 N C 1.893 177.360 175.510 -0.072 0.000 1.016 22 N CA 2.067 55.122 53.050 0.008 0.000 0.866 22 N CB -0.588 37.981 38.487 0.137 0.000 0.980 22 N HN 0.149 nan 8.380 nan 0.000 0.430 23 A N 0.309 123.080 122.820 -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 -1.043 17.699 19.000 -0.431 0.000 0.837 23 A HN 0.266 nan 8.150 nan 0.000 0.444 24 A N -1.153 121.479 122.820 -0.313 0.000 1.883 24 A HA -0.112 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 2.514 54.352 52.037 -0.332 0.000 0.624 24 A CB -1.142 17.651 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 1.059 62.754 62.100 -0.675 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 -0.306 120.633 121.223 -0.473 0.000 2.202 26 L HA 0.213 4.553 4.340 -0.000 0.000 0.205 26 L C 1.161 177.638 176.870 -0.655 0.000 1.083 26 L CA 1.485 55.986 54.840 -0.565 0.000 0.790 26 L CB -0.416 41.206 42.059 -0.729 0.000 0.942 26 L HN 0.309 nan 8.230 nan 0.000 0.452 27 Y N -1.484 118.723 120.300 -0.155 0.000 2.481 27 Y HA 0.245 4.795 4.550 -0.000 0.000 0.247 27 Y C 0.752 176.570 175.900 -0.138 0.000 1.151 27 Y CA -1.031 57.002 58.100 -0.112 0.000 1.238 27 Y CB 0.106 38.513 38.460 -0.089 0.000 1.179 27 Y HN -0.086 nan 8.280 nan 0.000 0.524 28 K N 0.159 120.496 120.400 -0.105 0.000 3.125 28 K HA -0.209 4.111 4.320 -0.000 0.000 0.268 28 K C -0.550 175.998 176.600 -0.087 0.000 1.078 28 K CA 0.292 56.514 56.287 -0.108 0.000 0.775 28 K CB -1.212 31.250 32.500 -0.063 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 0.434 4.754 4.320 -0.000 0.000 0.243 29 K C -0.032 176.524 176.600 -0.073 0.000 1.006 29 K CA -0.696 55.505 56.287 -0.144 0.000 0.917 29 K CB 0.772 33.040 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 -1.403 175.089 176.300 0.320 0.000 0.986 30 R CA -0.489 55.719 56.100 0.180 0.000 0.847 30 R CB 0.626 31.032 30.300 0.178 0.000 1.111 30 R HN 0.289 nan 8.270 nan 0.000 0.452 31 V N 3.287 123.353 119.914 0.253 0.000 2.577 31 V HA 0.583 4.703 4.120 -0.000 0.000 0.303 31 V C -0.485 175.509 176.094 -0.166 0.000 1.042 31 V CA -1.029 61.306 62.300 0.058 0.000 0.872 31 V CB 1.710 33.528 31.823 -0.008 0.000 0.998 31 V HN 0.917 nan 8.190 nan 0.000 0.423 32 A N 4.359 126.910 122.820 -0.449 0.000 2.292 32 A HA 0.867 5.187 4.320 -0.000 0.000 0.319 32 A C -0.633 176.913 177.584 -0.064 0.000 1.206 32 A CA -0.511 51.290 52.037 -0.393 0.000 0.835 32 A CB 1.225 19.888 19.000 -0.562 0.000 1.164 32 A HN 0.767 nan 8.150 nan 0.000 0.505 33 V N 3.972 123.907 119.914 0.035 0.000 2.448 33 V HA 0.431 4.551 4.120 -0.000 0.000 0.295 33 V C -0.356 175.680 176.094 -0.096 0.000 1.025 33 V CA -0.207 62.152 62.300 0.099 0.000 0.859 33 V CB 1.333 33.379 31.823 0.372 0.000 0.988 33 V HN 0.740 nan 8.190 nan 0.000 0.431 34 I N 3.892 124.390 120.570 -0.119 0.000 2.378 34 I HA 0.568 4.738 4.170 -0.000 0.000 0.291 34 I C -0.672 175.276 176.117 -0.282 0.000 0.992 34 I CA -0.196 60.925 61.300 -0.298 0.000 1.154 34 I CB 1.759 39.669 38.000 -0.149 0.000 1.315 34 I HN 0.540 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 0.830 176.950 176.300 -0.300 0.000 1.160 35 D CA -0.504 53.374 54.000 -0.202 0.000 0.858 35 D CB 3.299 44.185 40.800 0.144 0.000 1.610 35 D HN 0.217 nan 8.370 nan 0.000 0.481 36 V N 2.713 122.316 119.914 -0.518 0.000 2.252 36 V HA -0.281 3.839 4.120 -0.000 0.000 0.255 36 V C 1.147 177.007 176.094 -0.390 0.000 1.071 36 V CA 2.070 63.858 62.300 -0.853 0.000 1.050 36 V CB -0.494 30.554 31.823 -1.292 0.000 0.654 36 V HN 0.657 nan 8.190 nan 0.000 0.448 37 Q N -1.232 118.493 119.800 -0.125 0.000 2.857 37 Q HA 0.633 4.973 4.340 -0.000 0.000 0.319 37 Q C -0.396 175.659 176.000 0.092 0.000 0.963 37 Q CA -0.646 55.185 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 -0.720 118.909 119.600 0.049 0.000 3.262 38 M HA 0.633 5.113 4.480 -0.000 0.000 0.450 38 M C -1.360 174.905 176.300 -0.058 0.000 1.524 38 M CA -0.519 54.760 55.300 -0.035 0.000 0.770 38 M CB 1.508 34.041 32.600 -0.112 0.000 1.459 38 M HN 0.280 nan 8.290 nan 0.000 0.517 39 V N 1.507 121.392 119.914 -0.047 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 1.870 33.606 31.823 -0.145 0.000 1.081 39 V HN 0.809 nan 8.190 nan 0.000 0.432 40 H N 4.424 123.505 119.070 0.018 0.000 2.983 40 H HA 0.638 5.194 4.556 0.000 0.000 0.361 40 H C 0.397 175.694 175.328 -0.052 0.000 1.145 40 H CA 0.987 57.065 56.048 0.051 0.000 1.404 40 H CB 0.442 30.276 29.762 0.120 0.000 1.356 40 H HN 1.977 nan 8.280 nan 0.000 0.612 41 G N 0.521 109.299 108.800 -0.036 0.000 2.525 41 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.685 41 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.685 41 G C -3.076 171.293 174.900 -0.885 0.000 1.290 41 G CA -0.832 43.871 45.100 -0.661 0.000 0.915 41 G HN 0.804 nan 8.290 nan 0.000 0.548 42 P HA 0.279 nan 4.420 nan 0.000 0.268 42 P C -1.844 175.028 177.300 -0.712 0.000 1.204 42 P CA -0.798 61.547 63.100 -1.259 0.000 0.768 42 P CB 0.647 31.876 31.700 -0.784 0.000 0.842 43 P HA 0.219 nan 4.420 nan 0.000 0.251 43 P C 0.179 177.060 177.300 -0.700 0.000 1.198 43 P CA 0.584 63.180 63.100 -0.840 0.000 0.847 43 P CB 0.333 31.426 31.700 -1.013 0.000 1.082 44 F N -2.699 117.203 119.950 -0.080 0.000 2.682 44 F HA 0.330 4.857 4.527 -0.000 0.000 0.308 44 F C 0.962 177.027 175.800 0.442 0.000 1.093 44 F CA -0.389 57.777 58.000 0.277 0.000 1.244 44 F CB -0.492 38.606 39.000 0.163 0.000 1.052 44 F HN -0.322 nan 8.300 nan 0.000 0.573 45 F N -1.380 118.741 119.950 0.285 0.000 2.571 45 F HA -0.373 4.154 4.527 -0.000 0.000 0.671 45 F C 1.386 177.335 175.800 0.248 0.000 0.488 45 F CA 1.133 59.283 58.000 0.250 0.000 0.731 45 F CB -1.673 37.506 39.000 0.298 0.000 1.619 45 F HN -0.015 nan 8.300 nan 0.000 0.262 46 S N 0.803 116.772 115.700 0.448 0.000 2.592 46 S HA 0.760 5.230 4.470 -0.000 0.000 0.271 46 S C -0.003 174.710 174.600 0.188 0.000 1.326 46 S CA 0.196 58.565 58.200 0.281 0.000 1.024 46 S CB 1.216 64.584 63.200 0.279 0.000 0.921 46 S HN 0.968 nan 8.310 nan 0.000 0.527 47 A N 2.960 125.856 122.820 0.127 0.000 2.524 47 A HA 0.527 4.847 4.320 -0.000 0.000 0.303 47 A C -0.996 176.616 177.584 0.045 0.000 1.195 47 A CA -0.896 51.187 52.037 0.076 0.000 0.651 47 A CB 0.079 19.123 19.000 0.072 0.000 1.323 47 A HN 0.804 nan 8.150 nan 0.000 0.479 48 L N 0.841 122.057 121.223 -0.012 0.000 2.776 48 L HA 0.168 4.508 4.340 -0.000 0.000 0.283 48 L C 1.443 178.304 176.870 -0.014 0.000 1.194 48 L CA 2.113 56.889 54.840 -0.105 0.000 0.947 48 L CB -0.164 41.740 42.059 -0.259 0.000 1.255 48 L HN 1.675 nan 8.230 nan 0.000 0.481 49 G N 1.595 110.312 108.800 -0.138 0.000 2.316 49 G HA2 0.001 3.961 3.960 -0.000 0.000 0.203 49 G HA3 0.001 3.961 3.960 -0.000 0.000 0.203 49 G C 0.571 175.468 174.900 -0.004 0.000 0.999 49 G CA -0.282 44.767 45.100 -0.085 0.000 0.649 49 G HN 1.530 nan 8.290 nan 0.000 0.489 50 G N -1.278 107.535 108.800 0.022 0.000 2.660 50 G HA2 0.105 4.065 3.960 -0.000 0.000 0.215 50 G HA3 0.105 4.065 3.960 -0.000 0.000 0.215 50 G C 0.708 175.652 174.900 0.074 0.000 1.345 50 G CA 0.730 45.861 45.100 0.052 0.000 0.877 50 G HN 1.190 nan 8.290 nan 0.000 0.549 51 T N -0.493 114.109 114.554 0.081 0.000 2.942 51 T HA -0.069 4.281 4.350 -0.000 0.000 0.265 51 T C 2.394 177.110 174.700 0.026 0.000 1.062 51 T CA 2.131 64.274 62.100 0.071 0.000 1.139 51 T CB -0.405 68.516 68.868 0.089 0.000 0.883 51 T HN 0.962 nan 8.240 nan 0.000 0.468 52 c N 1.039 119.661 118.600 0.037 0.000 2.425 52 c HA 0.006 4.576 4.570 -0.000 0.000 0.277 52 c C 2.691 176.764 174.090 -0.027 0.000 1.280 52 c CA 0.480 56.819 56.329 0.016 0.000 1.744 52 c CB -1.120 41.414 42.510 0.041 0.000 1.989 52 c HN 0.345 nan 8.230 nan 0.000 0.491 53 V N 1.375 121.290 119.914 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 1.986 64.281 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 0.574 nan 8.190 nan 0.000 0.461 54 N N 0.409 119.084 118.700 -0.041 0.000 2.420 54 N HA 0.014 4.754 4.740 -0.000 0.000 0.185 54 N C 1.026 176.421 175.510 -0.191 0.000 1.033 54 N CA 1.693 54.730 53.050 -0.023 0.000 0.879 54 N CB 0.778 39.345 38.487 0.134 0.000 1.071 54 N HN 0.486 nan 8.380 nan 0.000 0.437 55 V N -2.314 117.459 119.914 -0.234 0.000 2.771 55 V HA 0.722 4.842 4.120 -0.000 0.000 0.355 55 V C 0.329 176.147 176.094 -0.459 0.000 1.289 55 V CA -0.416 61.560 62.300 -0.540 0.000 1.231 55 V CB 0.536 32.328 31.823 -0.053 0.000 1.396 55 V HN 0.182 nan 8.190 nan 0.000 0.628 56 G N -0.361 108.202 108.800 -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 -0.032 118.540 118.600 -0.047 0.000 2.413 57 c HA -0.010 4.560 4.570 -0.000 0.000 0.278 57 c C 2.918 176.919 174.090 -0.148 0.000 1.224 57 c CA 1.058 57.344 56.329 -0.071 0.000 1.732 57 c CB -1.372 41.124 42.510 -0.025 0.000 2.050 57 c HN 0.280 nan 8.230 nan 0.000 0.463 58 V N 2.774 122.605 119.914 -0.138 0.000 2.287 58 V HA -0.165 3.955 4.120 -0.000 0.000 0.248 58 V C 0.184 176.164 176.094 -0.191 0.000 1.053 58 V CA 2.746 64.954 62.300 -0.153 0.000 1.027 58 V CB -1.783 29.965 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 1.301 178.534 177.300 -0.110 0.000 1.152 59 P CA 1.339 64.295 63.100 -0.241 0.000 0.812 59 P CB -0.014 31.416 31.700 -0.450 0.000 0.792 60 K N 0.452 120.815 120.400 -0.061 0.000 2.155 60 K HA -0.045 4.275 4.320 -0.000 0.000 0.203 60 K C 2.118 178.565 176.600 -0.254 0.000 1.052 60 K CA 1.284 57.515 56.287 -0.093 0.000 0.948 60 K CB -0.797 31.643 32.500 -0.101 0.000 0.728 60 K HN -0.075 nan 8.250 nan 0.000 0.448 61 K N 0.166 120.388 120.400 -0.296 0.000 2.228 61 K HA 0.049 4.369 4.320 -0.000 0.000 0.202 61 K C 1.616 178.080 176.600 -0.227 0.000 1.051 61 K CA 0.527 56.590 56.287 -0.372 0.000 0.960 61 K CB -0.006 32.216 32.500 -0.464 0.000 0.743 61 K HN 0.102 nan 8.250 nan 0.000 0.458 62 L N 0.682 121.797 121.223 -0.179 0.000 2.141 62 L HA -0.074 4.266 4.340 -0.000 0.000 0.209 62 L C 2.203 179.006 176.870 -0.111 0.000 1.094 62 L CA 1.543 56.307 54.840 -0.126 0.000 0.763 62 L CB -0.313 41.666 42.059 -0.133 0.000 0.908 62 L HN 0.186 nan 8.230 nan 0.000 0.437 63 M N -2.605 116.902 119.600 -0.154 0.000 2.334 63 M HA -0.080 4.400 4.480 -0.000 0.000 0.266 63 M C 2.079 178.321 176.300 -0.096 0.000 1.082 63 M CA 0.618 55.823 55.300 -0.158 0.000 1.141 63 M CB 0.053 32.504 32.600 -0.249 0.000 1.380 63 M HN -0.000 nan 8.290 nan 0.000 0.440 64 V N -0.098 119.722 119.914 -0.157 0.000 2.379 64 V HA -0.205 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 64.232 62.300 -0.119 0.000 1.036 64 V CB -0.690 31.049 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 -0.135 4.215 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 1.561 63.602 62.100 -0.100 0.000 1.140 65 T CB -0.532 68.299 68.868 -0.063 0.000 0.864 65 T HN 0.624 nan 8.240 nan 0.000 0.455 66 G N 0.815 109.671 108.800 0.093 0.000 2.408 66 G HA2 0.029 3.989 3.960 -0.000 0.000 0.217 66 G HA3 0.029 3.989 3.960 -0.000 0.000 0.217 66 G C 1.765 176.800 174.900 0.225 0.000 1.150 66 G CA 0.736 46.017 45.100 0.302 0.000 0.776 66 G HN 0.571 nan 8.290 nan 0.000 0.542 67 A N -0.353 122.553 122.820 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 1.459 53.495 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 -1.300 118.408 119.800 -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 -0.333 0.000 0.911 68 Q HN 0.808 nan 8.270 nan 0.000 0.438 69 Y N 0.350 120.597 120.300 -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 -0.061 0.000 1.144 69 Y CA 1.243 59.329 58.100 -0.024 0.000 1.321 69 Y CB -0.467 38.006 38.460 0.021 0.000 0.982 69 Y HN 0.227 nan 8.280 nan 0.000 0.558 70 M N -0.854 118.745 119.600 -0.002 0.000 2.288 70 M HA -0.059 4.421 4.480 -0.000 0.000 0.266 70 M C 1.549 177.845 176.300 -0.006 0.000 1.072 70 M CA 1.538 56.835 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 0.459 120.596 120.200 -0.105 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 -0.045 0.000 0.988 71 E CA 1.444 57.778 56.400 -0.109 0.000 0.799 71 E CB -0.856 28.703 29.700 -0.236 0.000 0.755 71 E HN 0.669 nan 8.360 nan 0.000 0.447 72 H N 0.374 119.484 119.070 0.067 0.000 2.352 72 H HA -0.072 4.484 4.556 -0.000 0.000 0.299 72 H C 2.129 177.525 175.328 0.112 0.000 1.097 72 H CA 0.793 56.885 56.048 0.074 0.000 1.311 72 H CB -0.285 29.526 29.762 0.081 0.000 1.377 72 H HN 0.042 nan 8.280 nan 0.000 0.504 73 L N 0.529 121.898 121.223 0.243 0.000 2.141 73 L HA -0.073 4.267 4.340 -0.000 0.000 0.209 73 L C 2.658 179.702 176.870 0.290 0.000 1.094 73 L CA 1.177 56.181 54.840 0.273 0.000 0.763 73 L CB -0.670 41.544 42.059 0.259 0.000 0.908 73 L HN 0.163 nan 8.230 nan 0.000 0.437 74 R N 0.522 121.141 120.500 0.199 0.000 2.060 74 R HA -0.122 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 1.570 57.768 56.100 0.163 0.000 0.930 74 R CB -0.177 30.194 30.300 0.118 0.000 0.829 74 R HN 0.523 nan 8.270 nan 0.000 0.433 75 E N 0.812 121.134 120.200 0.203 0.000 2.516 75 E HA -0.087 4.263 4.350 -0.000 0.000 0.199 75 E C 1.539 178.346 176.600 0.344 0.000 1.069 75 E CA 0.952 57.506 56.400 0.257 0.000 0.876 75 E CB 0.019 29.885 29.700 0.277 0.000 0.843 75 E HN 0.392 nan 8.360 nan 0.000 0.530 76 S N 1.458 117.344 115.700 0.309 0.000 2.399 76 S HA -0.100 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 63.191 63.200 0.271 0.000 0.803 76 S HN 0.374 nan 8.310 nan 0.000 0.480 77 A N 1.529 124.563 122.820 0.357 0.000 2.015 77 A HA 0.258 4.578 4.320 -0.000 0.000 0.219 77 A C 2.317 180.030 177.584 0.214 0.000 1.163 77 A CA 1.324 53.519 52.037 0.263 0.000 0.646 77 A CB -1.562 17.515 19.000 0.128 0.000 0.806 77 A HN 0.683 nan 8.150 nan 0.000 0.448 78 G N -1.790 107.147 108.800 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 0.764 175.618 174.900 -0.076 0.000 1.130 78 G CA 0.519 45.652 45.100 0.055 0.000 0.784 78 G HN 0.443 nan 8.290 nan 0.000 0.543 79 F N 0.554 120.597 119.950 0.155 0.000 2.660 79 F HA 0.411 4.938 4.527 0.000 0.000 0.297 79 F C 1.780 177.612 175.800 0.053 0.000 1.132 79 F CA 0.022 58.110 58.000 0.147 0.000 1.372 79 F CB 0.612 39.763 39.000 0.251 0.000 1.003 79 F HN 0.206 nan 8.300 nan 0.000 0.524 80 G N -1.233 107.628 108.800 0.101 0.000 2.213 80 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.236 80 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.236 80 G C -0.081 174.714 174.900 -0.175 0.000 0.991 80 G CA -0.691 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 2.377 123.767 121.300 0.151 0.000 2.485 81 W HA 0.658 5.318 4.660 -0.000 0.000 0.315 81 W C 0.319 176.947 176.519 0.182 0.000 1.304 81 W CA -0.374 57.073 57.345 0.170 0.000 1.345 81 W CB 0.676 30.257 29.460 0.200 0.000 1.368 81 W HN -0.047 nan 8.180 nan 0.000 0.497 82 E N 3.655 124.034 120.200 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 -0.998 55.520 56.400 0.196 0.000 0.786 82 E CB 2.248 31.984 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 0.285 4.812 4.527 -0.000 0.000 0.311 83 F C -0.348 175.493 175.800 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 39.652 39.000 0.103 0.000 1.312 83 F HN 0.093 nan 8.300 nan 0.000 0.450 84 D N 1.953 122.456 120.400 0.172 0.000 2.449 84 D HA -0.001 4.639 4.640 -0.000 0.000 0.278 84 D C 1.087 177.422 176.300 0.059 0.000 1.417 84 D CA 0.644 54.692 54.000 0.080 0.000 1.192 84 D CB 0.209 41.086 40.800 0.129 0.000 1.129 84 D HN 0.675 nan 8.370 nan 0.000 0.539 85 R N 1.106 121.471 120.500 -0.225 0.000 2.316 85 R HA -0.047 4.293 4.340 -0.000 0.000 0.202 85 R C 1.904 178.207 176.300 0.005 0.000 1.029 85 R CA 0.542 56.520 56.100 -0.203 0.000 1.018 85 R CB 0.253 30.326 30.300 -0.378 0.000 0.888 85 R HN 0.236 nan 8.270 nan 0.000 0.471 86 T N -1.124 113.439 114.554 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 63.579 62.100 0.036 0.000 1.136 86 T CB 0.025 68.908 68.868 0.025 0.000 0.874 86 T HN 0.188 nan 8.240 nan 0.000 0.466 87 T N 1.258 115.877 114.554 0.108 0.000 3.055 87 T HA 0.152 4.502 4.350 -0.000 0.000 0.265 87 T C 0.383 175.166 174.700 0.139 0.000 1.111 87 T CA 0.004 62.176 62.100 0.121 0.000 1.118 87 T CB -0.266 68.687 68.868 0.141 0.000 0.909 87 T HN 0.177 nan 8.240 nan 0.000 0.501 88 L N 3.607 124.943 121.223 0.188 0.000 2.342 88 L HA 0.448 4.788 4.340 -0.000 0.000 0.285 88 L C -0.451 176.496 176.870 0.128 0.000 1.095 88 L CA -0.000 54.963 54.840 0.205 0.000 0.843 88 L CB 0.097 42.376 42.059 0.366 0.000 1.201 88 L HN -0.124 nan 8.230 nan 0.000 0.445 89 R N 4.269 124.829 120.500 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 1.165 124.052 122.820 0.113 0.000 2.290 90 A HA 0.409 4.729 4.320 -0.000 0.000 0.310 90 A C -0.367 177.391 177.584 0.291 0.000 1.202 90 A CA -0.320 51.823 52.037 0.176 0.000 0.837 90 A CB 0.645 19.697 19.000 0.087 0.000 1.139 90 A HN 0.494 nan 8.150 nan 0.000 0.509 91 E N 2.758 123.143 120.200 0.308 0.000 2.261 91 E HA 0.094 4.444 4.350 -0.000 0.000 0.239 91 E C 0.742 177.514 176.600 0.287 0.000 0.991 91 E CA -0.692 55.861 56.400 0.257 0.000 0.847 91 E CB -0.108 29.680 29.700 0.148 0.000 1.223 91 E HN 0.785 nan 8.360 nan 0.000 0.446 92 W N 4.699 126.067 121.300 0.115 0.000 2.321 92 W HA -0.269 4.391 4.660 -0.000 0.000 0.306 92 W C 0.743 177.212 176.519 -0.083 0.000 1.217 92 W CA 1.542 58.833 57.345 -0.091 0.000 1.257 92 W CB 0.180 29.623 29.460 -0.028 0.000 1.145 92 W HN 0.418 nan 8.180 nan 0.000 0.509 93 K N 0.363 120.883 120.400 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 0.937 121.321 120.400 -0.026 0.000 2.057 94 K HA -0.153 4.167 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 0.856 57.115 56.287 -0.047 0.000 0.935 94 K CB -0.116 32.383 32.500 -0.001 0.000 0.715 94 K HN 0.009 nan 8.250 nan 0.000 0.439 95 L N 1.830 122.923 121.223 -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 1.922 56.565 54.840 -0.329 0.000 0.751 95 L CB -0.573 41.134 42.059 -0.587 0.000 0.889 95 L HN 0.416 nan 8.230 nan 0.000 0.432 96 I N -2.486 117.746 120.570 -0.563 0.000 2.756 96 I HA -0.024 4.146 4.170 -0.000 0.000 0.262 96 I C 2.238 178.218 176.117 -0.228 0.000 1.225 96 I CA 1.160 62.184 61.300 -0.460 0.000 1.472 96 I CB -0.878 36.785 38.000 -0.561 0.000 1.094 96 I HN 0.247 nan 8.210 nan 0.000 0.454 97 A N 2.002 124.718 122.820 -0.174 0.000 1.897 97 A HA -0.056 4.264 4.320 -0.000 0.000 0.215 97 A C 2.437 179.976 177.584 -0.076 0.000 1.181 97 A CA 1.882 53.870 52.037 -0.081 0.000 0.620 97 A CB -0.961 18.007 19.000 -0.053 0.000 0.821 97 A HN 0.469 nan 8.150 nan 0.000 0.443 98 V N -2.183 117.670 119.914 -0.102 0.000 2.719 98 V HA -0.090 4.030 4.120 -0.000 0.000 0.252 98 V C 2.112 178.140 176.094 -0.110 0.000 1.065 98 V CA 2.113 64.360 62.300 -0.088 0.000 1.086 98 V CB -0.667 31.108 31.823 -0.081 0.000 0.700 98 V HN 0.423 nan 8.190 nan 0.000 0.467 99 K N 0.964 121.272 120.400 -0.154 0.000 2.002 99 K HA -0.235 4.085 4.320 -0.000 0.000 0.209 99 K C 1.873 178.355 176.600 -0.198 0.000 1.048 99 K CA 2.334 58.508 56.287 -0.190 0.000 0.930 99 K CB -0.703 31.653 32.500 -0.240 0.000 0.714 99 K HN 0.517 nan 8.250 nan 0.000 0.438 100 D N 0.836 121.146 120.400 -0.151 0.000 2.149 100 D HA -0.162 4.478 4.640 -0.000 0.000 0.198 100 D C 1.891 178.184 176.300 -0.013 0.000 0.990 100 D CA 1.053 54.996 54.000 -0.095 0.000 0.839 100 D CB -0.076 40.794 40.800 0.116 0.000 0.948 100 D HN 0.328 nan 8.370 nan 0.000 0.460 101 E N 0.867 121.053 120.200 -0.023 0.000 2.031 101 E HA -0.109 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 1.593 57.986 56.400 -0.013 0.000 0.800 101 E CB -0.449 29.233 29.700 -0.029 0.000 0.752 101 E HN 0.142 nan 8.360 nan 0.000 0.447 102 A N 0.029 122.800 122.820 -0.082 0.000 1.883 102 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 102 A C 2.524 180.044 177.584 -0.107 0.000 1.186 102 A CA 1.884 53.864 52.037 -0.096 0.000 0.624 102 A CB -0.821 18.111 19.000 -0.113 0.000 0.822 102 A HN 0.209 nan 8.150 nan 0.000 0.444 103 V N -0.223 119.597 119.914 -0.157 0.000 2.515 103 V HA -0.184 3.936 4.120 -0.000 0.000 0.250 103 V C 2.461 178.550 176.094 -0.008 0.000 1.058 103 V CA 1.704 63.903 62.300 -0.169 0.000 1.064 103 V CB -0.745 30.830 31.823 -0.413 0.000 0.675 103 V HN 0.623 nan 8.190 nan 0.000 0.461 104 L N 0.775 122.042 121.223 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 2.033 56.977 54.840 0.174 0.000 0.763 104 L CB -0.863 41.297 42.059 0.169 0.000 0.908 104 L HN 0.389 nan 8.230 nan 0.000 0.437 105 N N -0.458 118.232 118.700 -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 54.029 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 1.954 122.441 120.570 -0.137 0.000 2.264 106 I HA -0.251 3.919 4.170 -0.000 0.000 0.248 106 I C 1.492 177.463 176.117 -0.243 0.000 1.111 106 I CA 1.470 62.617 61.300 -0.255 0.000 1.382 106 I CB -1.468 36.438 38.000 -0.156 0.000 1.060 106 I HN 0.201 nan 8.210 nan 0.000 0.418 107 N N 0.988 119.670 118.700 -0.031 0.000 2.120 107 N HA -0.169 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 0.529 120.901 120.400 -0.048 0.000 2.097 108 K HA -0.060 4.260 4.320 -0.000 0.000 0.205 108 K C 2.317 178.879 176.600 -0.064 0.000 1.050 108 K CA 1.381 57.638 56.287 -0.050 0.000 0.938 108 K CB -0.002 32.469 32.500 -0.048 0.000 0.718 108 K HN 0.248 nan 8.250 nan 0.000 0.442 109 S N -0.005 115.613 115.700 -0.137 0.000 2.387 109 S HA -0.129 4.341 4.470 -0.000 0.000 0.226 109 S C 1.857 176.394 174.600 -0.104 0.000 1.026 109 S CA 0.655 58.754 58.200 -0.168 0.000 0.972 109 S CB -0.513 62.514 63.200 -0.289 0.000 0.814 109 S HN 0.191 nan 8.310 nan 0.000 0.477 110 Y N 2.285 122.570 120.300 -0.025 0.000 2.274 110 Y HA 0.053 4.603 4.550 -0.000 0.000 0.290 110 Y C 2.758 178.727 175.900 0.114 0.000 1.145 110 Y CA 0.503 58.625 58.100 0.037 0.000 1.203 110 Y CB -0.687 37.782 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 0.132 0.000 2.021 111 E HA -0.256 4.094 4.350 -0.000 0.000 0.200 111 E C 1.942 178.617 176.600 0.126 0.000 1.015 111 E CA 1.747 58.177 56.400 0.050 0.000 0.824 111 E CB -0.048 29.637 29.700 -0.025 0.000 0.762 111 E HN 0.477 nan 8.360 nan 0.000 0.454 112 E N 0.555 120.801 120.200 0.077 0.000 2.070 112 E HA -0.208 4.142 4.350 -0.000 0.000 0.197 112 E C 2.028 178.694 176.600 0.110 0.000 1.004 112 E CA 1.604 58.047 56.400 0.071 0.000 0.805 112 E CB -0.375 29.338 29.700 0.023 0.000 0.744 112 E HN 0.279 nan 8.360 nan 0.000 0.451 113 M N -0.513 119.162 119.600 0.124 0.000 2.108 113 M HA -0.245 4.235 4.480 -0.000 0.000 0.257 113 M C 1.502 177.848 176.300 0.076 0.000 1.071 113 M CA 1.739 57.101 55.300 0.104 0.000 1.093 113 M CB -0.206 32.443 32.600 0.081 0.000 1.345 113 M HN 0.142 nan 8.290 nan 0.000 0.403 114 F N -0.382 119.626 119.950 0.096 0.000 2.206 114 F HA -0.036 4.491 4.527 -0.000 0.000 0.298 114 F C 2.417 178.247 175.800 0.049 0.000 1.090 114 F CA 1.138 59.179 58.000 0.068 0.000 1.323 114 F CB -0.403 38.606 39.000 0.015 0.000 1.028 114 F HN 0.105 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 4.325 4.340 -0.000 0.000 0.214 115 R C -0.128 176.222 176.300 0.084 0.000 0.961 115 R CA 0.546 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 -1.327 119.124 120.400 0.084 0.000 2.480 116 D HA 0.076 4.716 4.640 -0.000 0.000 0.276 116 D C -0.709 175.625 176.300 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 1.526 116.103 114.554 0.040 0.000 2.848 117 T HA 0.297 4.647 4.350 -0.000 0.000 0.285 117 T C -0.341 174.332 174.700 -0.044 0.000 0.995 117 T CA -0.750 61.335 62.100 -0.024 0.000 0.970 117 T CB 2.399 71.232 68.868 -0.058 0.000 0.976 117 T HN -0.075 nan 8.240 nan 0.000 0.441 118 E N 1.400 121.562 120.200 -0.064 0.000 2.436 118 E HA 0.417 4.767 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 0.354 56.725 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 1.827 110.627 108.800 0.001 0.000 2.779 119 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.230 119 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.230 119 G C 0.134 175.065 174.900 0.051 0.000 1.243 119 G CA 0.212 45.329 45.100 0.029 0.000 0.769 119 G HN 0.555 nan 8.290 nan 0.000 0.516 120 L N 2.721 123.919 121.223 -0.041 0.000 2.500 120 L HA 0.400 4.740 4.340 -0.000 0.000 0.272 120 L C 0.477 177.424 176.870 0.129 0.000 1.149 120 L CA 0.368 55.181 54.840 -0.044 0.000 0.897 120 L CB 0.270 42.150 42.059 -0.299 0.000 1.178 120 L HN 0.664 nan 8.230 nan 0.000 0.473 121 E N 4.148 124.461 120.200 0.187 0.000 2.331 121 E HA 0.353 4.703 4.350 -0.000 0.000 0.275 121 E C -1.468 175.067 176.600 -0.108 0.000 0.895 121 E CA -0.816 55.650 56.400 0.111 0.000 0.753 121 E CB 2.401 32.053 29.700 -0.080 0.000 1.216 121 E HN 0.264 nan 8.360 nan 0.000 0.434 122 F N 2.357 122.022 119.950 -0.476 0.000 2.444 122 F HA 0.528 5.055 4.527 -0.000 0.000 0.342 122 F C -1.631 173.718 175.800 -0.751 0.000 1.121 122 F CA -1.062 56.529 58.000 -0.681 0.000 0.997 122 F CB 0.784 39.178 39.000 -1.011 0.000 1.130 122 F HN 0.406 nan 8.300 nan 0.000 0.454 123 F N 6.964 126.457 119.950 -0.760 0.000 2.426 123 F HA 0.430 4.957 4.527 -0.000 0.000 0.348 123 F C -0.560 174.683 175.800 -0.930 0.000 1.124 123 F CA -0.979 56.659 58.000 -0.602 0.000 1.008 123 F CB 1.375 40.171 39.000 -0.340 0.000 1.139 123 F HN 0.277 nan 8.300 nan 0.000 0.452 124 L N 3.700 124.655 121.223 -0.447 0.000 2.315 124 L HA 0.718 5.058 4.340 -0.000 0.000 0.283 124 L C 0.259 177.027 176.870 -0.170 0.000 1.089 124 L CA 0.760 55.412 54.840 -0.312 0.000 0.833 124 L CB -0.143 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 3.004 111.666 108.800 -0.229 0.000 2.333 125 G HA2 0.092 4.051 3.960 -0.000 0.000 0.288 125 G HA3 0.092 4.051 3.960 -0.000 0.000 0.288 125 G C -2.282 172.493 174.900 -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 1.001 122.204 121.300 -0.161 0.000 2.318 126 W HA 0.588 5.248 4.660 -0.000 0.000 0.315 126 W C 0.659 177.105 176.519 -0.123 0.000 1.033 126 W CA -0.053 57.196 57.345 -0.161 0.000 1.275 126 W CB 1.872 31.224 29.460 -0.181 0.000 1.250 126 W HN 0.848 nan 8.180 nan 0.000 0.421 127 G N 2.111 110.953 108.800 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 -0.499 174.430 174.900 0.049 0.000 1.233 127 G CA -0.282 44.833 45.100 0.025 0.000 0.885 127 G HN 0.330 nan 8.290 nan 0.000 0.490 128 S N 1.205 116.917 115.700 0.021 0.000 2.536 128 S HA 0.424 4.894 4.470 -0.000 0.000 0.287 128 S C -0.797 173.804 174.600 0.001 0.000 1.101 128 S CA -0.758 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 2.738 123.962 121.223 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 55.336 54.840 -0.001 0.000 0.833 129 L CB 0.323 42.382 42.059 0.000 0.000 1.170 129 L HN 0.936 nan 8.230 nan 0.000 0.442 130 E N 1.445 121.639 120.200 -0.010 0.000 2.216 130 E HA 0.048 4.398 4.350 -0.000 0.000 0.192 130 E C 0.259 176.853 176.600 -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 -1.440 114.255 115.700 -0.008 0.000 2.790 131 S HA 0.206 4.676 4.470 -0.000 0.000 0.292 131 S C 0.530 175.124 174.600 -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 64.397 63.200 -0.008 0.000 1.217 131 S HN 0.008 nan 8.310 nan 0.000 0.526 132 K N 1.107 121.499 120.400 -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 -0.736 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 -1.106 117.595 118.700 0.001 0.000 2.609 133 N HA 0.081 4.821 4.740 -0.000 0.000 0.251 133 N C -1.408 174.116 175.510 0.023 0.000 1.526 133 N CA -0.634 52.426 53.050 0.018 0.000 0.931 133 N CB 0.898 39.401 38.487 0.026 0.000 1.460 133 N HN -0.111 nan 8.380 nan 0.000 0.526 134 V N 0.448 120.370 119.914 0.012 0.000 2.709 134 V HA 0.736 4.856 4.120 -0.000 0.000 0.308 134 V C -1.255 174.839 176.094 0.000 0.000 1.062 134 V CA -0.696 61.610 62.300 0.010 0.000 0.901 134 V CB 2.076 33.899 31.823 0.000 0.000 1.003 134 V HN 0.156 nan 8.190 nan 0.000 0.425 135 V N 6.473 126.383 119.914 -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 -0.559 61.729 62.300 -0.020 0.000 0.872 135 V CB 2.065 33.882 31.823 -0.011 0.000 0.998 135 V HN 1.044 nan 8.190 nan 0.000 0.423 136 N N 4.633 123.306 118.700 -0.045 0.000 2.472 136 N HA 0.486 5.226 4.740 -0.000 0.000 0.277 136 N C -0.780 174.691 175.510 -0.066 0.000 1.081 136 N CA -0.659 52.355 53.050 -0.060 0.000 0.973 136 N CB 1.975 40.438 38.487 -0.039 0.000 1.105 136 N HN 0.527 nan 8.380 nan 0.000 0.470 137 V N 2.774 122.623 119.914 -0.107 0.000 2.338 137 V HA 0.145 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 -0.392 31.344 31.823 -0.145 0.000 1.102 137 V HN 0.639 nan 8.190 nan 0.000 0.489 138 R N 3.087 123.592 120.500 0.008 0.000 2.531 138 R HA 0.282 4.622 4.340 -0.000 0.000 0.260 138 R C 1.349 177.681 176.300 0.053 0.000 1.144 138 R CA -0.271 55.837 56.100 0.013 0.000 1.171 138 R CB 0.781 31.079 30.300 -0.003 0.000 1.199 138 R HN 0.815 nan 8.270 nan 0.000 0.594 139 E N -0.532 119.685 120.200 0.029 0.000 2.472 139 E HA 0.080 4.430 4.350 -0.000 0.000 0.196 139 E C -0.216 176.416 176.600 0.054 0.000 1.033 139 E CA -0.120 56.316 56.400 0.060 0.000 0.886 139 E CB 0.465 30.184 29.700 0.031 0.000 0.944 139 E HN 0.407 nan 8.360 nan 0.000 0.492 140 S N -1.278 114.366 115.700 -0.094 0.000 2.752 140 S HA 0.644 5.114 4.470 -0.000 0.000 0.284 140 S C 0.866 174.960 174.600 -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 -0.275 0.000 1.192 140 S HN 0.064 nan 8.310 nan 0.000 0.506 141 A N 0.819 122.820 122.820 -1.365 0.000 1.877 141 A HA 0.088 4.408 4.320 -0.000 0.000 0.216 141 A C 0.925 178.199 177.584 -0.516 0.000 1.186 141 A CA 1.834 53.165 52.037 -1.177 0.000 0.620 141 A CB -1.542 16.726 19.000 -1.219 0.000 0.822 141 A HN 0.951 nan 8.150 nan 0.000 0.443 142 D N 0.253 120.417 120.400 -0.392 0.000 2.451 142 D HA 0.090 4.730 4.640 -0.000 0.000 0.254 142 D C -1.537 174.662 176.300 -0.169 0.000 1.204 142 D CA -1.437 52.428 54.000 -0.225 0.000 0.896 142 D CB 0.801 41.497 40.800 -0.174 0.000 1.136 142 D HN 0.155 nan 8.370 nan 0.000 0.499 143 P HA -0.024 nan 4.420 nan 0.000 0.242 143 P C 0.549 177.808 177.300 -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 0.515 123.291 122.820 -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 0.553 52.557 52.037 -0.056 0.000 0.656 144 A CB -1.167 17.801 19.000 -0.053 0.000 0.821 144 A HN 0.378 nan 8.150 nan 0.000 0.449 145 S N 0.098 115.756 115.700 -0.071 0.000 2.563 145 S HA 0.370 4.840 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 -0.300 57.863 58.200 -0.061 0.000 1.010 145 S CB 0.267 63.414 63.200 -0.088 0.000 0.877 145 S HN 1.333 nan 8.310 nan 0.000 0.549 146 A N 2.053 124.856 122.820 -0.028 0.000 2.548 146 A HA 0.404 4.724 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 -0.517 18.478 19.000 -0.008 0.000 0.996 146 A HN 0.907 nan 8.150 nan 0.000 0.504 147 V N 3.745 123.647 119.914 -0.021 0.000 2.585 147 V HA 0.088 4.208 4.120 -0.000 0.000 0.296 147 V C 1.198 177.280 176.094 -0.020 0.000 1.035 147 V CA 1.076 63.362 62.300 -0.024 0.000 1.084 147 V CB 0.849 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 2.378 122.763 120.400 -0.025 0.000 2.592 148 K HA 0.666 4.986 4.320 -0.000 0.000 0.203 148 K C -0.288 176.284 176.600 -0.047 0.000 1.070 148 K CA -0.473 55.803 56.287 -0.019 0.000 1.062 148 K CB 1.019 33.520 32.500 0.002 0.000 0.814 148 K HN 0.554 nan 8.250 nan 0.000 0.502 149 E N 0.717 120.869 120.200 -0.079 0.000 2.720 149 E HA 0.207 4.557 4.350 -0.000 0.000 0.298 149 E C -1.912 174.606 176.600 -0.137 0.000 1.150 149 E CA -0.290 56.025 56.400 -0.142 0.000 0.921 149 E CB 1.172 30.704 29.700 -0.279 0.000 1.164 149 E HN 0.276 nan 8.360 nan 0.000 0.447 150 R N 2.880 123.308 120.500 -0.120 0.000 2.409 150 R HA 0.458 4.798 4.340 -0.000 0.000 0.313 150 R C -0.929 175.315 176.300 -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 3.459 124.624 121.223 -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 0.762 42.804 42.059 -0.028 0.000 1.184 151 L HN 0.550 nan 8.230 nan 0.000 0.429 152 E N 1.568 121.815 120.200 0.079 0.000 2.331 152 E HA 0.502 4.852 4.350 -0.000 0.000 0.272 152 E C -0.161 176.521 176.600 0.136 0.000 1.036 152 E CA -0.061 56.382 56.400 0.072 0.000 0.864 152 E CB 1.512 31.231 29.700 0.032 0.000 1.035 152 E HN 0.559 nan 8.360 nan 0.000 0.408 153 T N 0.782 115.406 114.554 0.118 0.000 2.786 153 T HA 0.105 4.455 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 1.122 121.406 120.200 0.140 0.000 2.364 154 E HA 0.215 4.565 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 0.425 56.891 56.400 0.109 0.000 0.886 154 E CB 0.343 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 5.227 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 2.511 41.184 38.487 0.310 0.000 1.548 155 N HN -0.174 nan 8.380 nan 0.000 0.473 156 I N 1.320 121.987 120.570 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 -0.881 60.503 61.300 0.140 0.000 1.057 156 I CB 1.940 39.981 38.000 0.068 0.000 1.240 156 I HN 0.245 nan 8.210 nan 0.000 0.423 157 L N 7.363 128.699 121.223 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 1.258 43.438 42.059 0.201 0.000 1.227 157 L HN 0.360 nan 8.230 nan 0.000 0.415 158 L N 6.102 127.396 121.223 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 0.084 54.976 54.840 0.086 0.000 0.824 158 L CB 0.712 42.813 42.059 0.071 0.000 1.202 158 L HN 0.799 nan 8.230 nan 0.000 0.433 159 A N 1.595 124.464 122.820 0.082 0.000 3.214 159 A HA 0.378 4.698 4.320 -0.000 0.000 0.304 159 A C 1.045 178.673 177.584 0.073 0.000 0.969 159 A CA 0.046 52.132 52.037 0.082 0.000 0.986 159 A CB -0.016 19.035 19.000 0.084 0.000 1.073 159 A HN 0.613 nan 8.150 nan 0.000 0.487 160 S N -0.791 114.954 115.700 0.075 0.000 2.562 160 S HA 0.408 4.878 4.470 -0.000 0.000 0.221 160 S C 1.377 176.044 174.600 0.111 0.000 0.975 160 S CA 0.813 59.059 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 2.160 nan 8.310 nan 0.000 0.531 161 G N 1.411 110.279 108.800 0.114 0.000 2.527 161 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.268 161 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.268 161 G C -0.212 174.788 174.900 0.166 0.000 1.175 161 G CA 0.145 45.328 45.100 0.137 0.000 0.962 161 G HN 1.841 nan 8.290 nan 0.000 0.560 162 S N -1.901 113.929 115.700 0.217 0.000 2.537 162 S HA 0.612 5.082 4.470 -0.000 0.000 0.271 162 S C -1.378 173.427 174.600 0.341 0.000 1.148 162 S CA -0.256 58.089 58.200 0.243 0.000 0.868 162 S CB 2.100 65.401 63.200 0.168 0.000 1.115 162 S HN 1.320 nan 8.310 nan 0.000 0.461 163 W N 1.914 123.286 121.300 0.120 0.000 2.647 163 W HA 0.642 5.302 4.660 0.000 0.000 0.353 163 W C -2.515 174.084 176.519 0.132 0.000 1.080 163 W CA -1.973 55.450 57.345 0.131 0.000 1.208 163 W CB 0.866 30.413 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 -0.820 176.583 177.300 0.171 0.000 1.187 164 P CA 0.582 63.653 63.100 -0.048 0.000 0.766 164 P CB 0.515 32.056 31.700 -0.265 0.000 0.820 165 H N 3.666 122.774 119.070 0.063 0.000 2.504 165 H HA 0.404 4.960 4.556 -0.000 0.000 0.322 165 H C -0.434 174.932 175.328 0.062 0.000 1.055 165 H CA -0.519 55.584 56.048 0.091 0.000 1.231 165 H CB 0.425 30.238 29.762 0.085 0.000 1.417 165 H HN 0.159 nan 8.280 nan 0.000 0.472 166 M N 6.886 126.239 119.600 -0.412 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 1.180 33.713 32.600 -0.112 0.000 1.647 166 M HN 0.552 nan 8.290 nan 0.000 0.451 167 P HA 0.096 nan 4.420 nan 0.000 0.272 167 P C -0.747 176.509 177.300 -0.073 0.000 1.240 167 P CA -0.262 62.747 63.100 -0.152 0.000 0.791 167 P CB 0.727 32.384 31.700 -0.072 0.000 0.978 168 N N 1.274 119.965 118.700 -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 3.000 123.565 120.570 -0.008 0.000 2.545 169 I HA 0.317 4.487 4.170 -0.000 0.000 0.292 169 I C -2.174 173.942 176.117 -0.002 0.000 1.040 169 I CA -2.518 58.779 61.300 -0.006 0.000 1.068 169 I CB 2.588 40.579 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 64.109 63.100 0.016 0.000 0.954 170 P CB -0.200 31.509 31.700 0.016 0.000 0.908 171 G N 3.365 112.187 108.800 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 0.757 175.678 174.900 0.034 0.000 0.993 171 G CA -0.048 45.115 45.100 0.105 0.000 0.669 171 G HN 0.507 nan 8.290 nan 0.000 0.519 172 I N 1.150 121.702 120.570 -0.029 0.000 2.530 172 I HA -0.035 4.135 4.170 -0.000 0.000 0.257 172 I C 2.208 178.274 176.117 -0.085 0.000 1.179 172 I CA 2.334 63.608 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 -0.752 119.332 120.200 -0.193 0.000 2.160 173 E HA -0.244 4.106 4.350 -0.000 0.000 0.195 173 E C 1.533 177.986 176.600 -0.246 0.000 0.991 173 E CA 1.706 57.945 56.400 -0.268 0.000 0.810 173 E CB -0.459 28.989 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 -0.167 175.141 175.328 -0.032 0.000 0.982 174 H CA -0.460 55.578 56.048 -0.018 0.000 1.146 174 H CB 0.086 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 1.319 120.642 119.300 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 0.562 28.278 27.740 -0.040 0.000 2.369 175 C HN 0.513 nan 8.230 nan 0.000 0.553 176 I N 0.521 121.050 120.570 -0.068 0.000 3.861 176 I HA 0.885 5.055 4.170 -0.000 0.000 0.262 176 I C 0.189 176.220 176.117 -0.143 0.000 1.269 176 I CA -0.281 60.965 61.300 -0.091 0.000 1.140 176 I CB 1.393 39.340 38.000 -0.088 0.000 1.424 176 I HN 0.715 nan 8.210 nan 0.000 0.527 177 S N -0.766 114.809 115.700 -0.209 0.000 2.851 177 S HA 0.426 4.896 4.470 -0.000 0.000 0.313 177 S C 0.621 174.999 174.600 -0.371 0.000 1.163 177 S CA -0.027 58.012 58.200 -0.268 0.000 0.850 177 S CB 0.892 63.905 63.200 -0.310 0.000 1.245 177 S HN 0.717 nan 8.310 nan 0.000 0.558 178 S N 2.085 117.558 115.700 -0.377 0.000 2.353 178 S HA -0.176 4.294 4.470 -0.000 0.000 0.222 178 S C 1.627 176.050 174.600 -0.294 0.000 1.035 178 S CA 1.628 59.559 58.200 -0.447 0.000 1.025 178 S CB -1.157 61.954 63.200 -0.148 0.000 0.902 178 S HN 0.697 nan 8.310 nan 0.000 0.440 179 N N 2.207 120.774 118.700 -0.221 0.000 2.037 179 N HA -0.155 4.585 4.740 -0.000 0.000 0.196 179 N C 1.695 177.133 175.510 -0.119 0.000 1.034 179 N CA 1.806 54.734 53.050 -0.204 0.000 0.861 179 N CB -0.553 37.452 38.487 -0.803 0.000 1.039 179 N HN 0.660 nan 8.380 nan 0.000 0.427 180 E N 0.525 120.553 120.200 -0.288 0.000 2.274 180 E HA 0.032 4.382 4.350 -0.000 0.000 0.194 180 E C 1.740 178.393 176.600 0.089 0.000 0.996 180 E CA 0.725 57.134 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 1.126 123.856 122.820 -0.150 0.000 2.019 181 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 181 A C 1.692 179.219 177.584 -0.096 0.000 1.164 181 A CA 0.817 52.727 52.037 -0.211 0.000 0.644 181 A CB -0.770 17.725 19.000 -0.842 0.000 0.805 181 A HN 0.152 nan 8.150 nan 0.000 0.449 182 F N -2.555 117.356 119.950 -0.066 0.000 2.748 182 F HA 0.062 4.589 4.527 -0.000 0.000 0.299 182 F C 0.975 176.451 175.800 -0.540 0.000 1.154 182 F CA 0.730 58.562 58.000 -0.282 0.000 1.446 182 F CB -0.077 38.647 39.000 -0.460 0.000 1.112 182 F HN 0.298 nan 8.300 nan 0.000 0.584 183 Y N -0.813 119.692 120.300 0.342 0.000 2.641 183 Y HA 0.318 4.868 4.550 0.000 0.000 0.248 183 Y C 0.496 176.566 175.900 0.283 0.000 1.170 183 Y CA -1.087 57.188 58.100 0.291 0.000 1.201 183 Y CB -0.277 38.379 38.460 0.326 0.000 1.232 183 Y HN -0.254 nan 8.280 nan 0.000 0.537 184 L N 4.219 125.689 121.223 0.412 0.000 2.601 184 L HA -0.035 4.305 4.340 -0.000 0.000 0.277 184 L C -0.908 176.241 176.870 0.465 0.000 1.219 184 L CA -0.819 54.264 54.840 0.405 0.000 0.915 184 L CB 0.547 42.861 42.059 0.425 0.000 1.160 184 L HN 0.033 nan 8.230 nan 0.000 0.494 185 P HA -0.150 nan 4.420 nan 0.000 0.219 185 P C -0.095 177.392 177.300 0.313 0.000 1.146 185 P CA 1.356 64.612 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 -1.612 118.713 120.200 0.207 0.000 2.401 186 E HA 0.373 4.723 4.350 -0.000 0.000 0.280 186 E C -3.267 172.979 176.600 -0.591 0.000 1.039 186 E CA -2.490 53.861 56.400 -0.082 0.000 0.814 186 E CB 0.962 30.644 29.700 -0.031 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 -2.245 174.756 177.300 -0.499 0.000 1.235 187 P CA -1.039 61.453 63.100 -1.013 0.000 0.772 187 P CB 0.113 31.318 31.700 -0.824 0.000 0.871 188 P HA 0.147 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 -0.086 62.794 63.100 -0.368 0.000 0.776 188 P CB 1.385 32.773 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 0.688 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 0.383 nan 8.270 nan 0.000 0.437 190 R N 0.450 120.934 120.500 -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 0.071 0.000 0.989 190 R CA -0.337 55.812 56.100 0.081 0.000 0.842 190 R CB 2.122 32.501 30.300 0.132 0.000 1.119 190 R HN -0.007 nan 8.270 nan 0.000 0.456 191 V N 3.261 123.170 119.914 -0.008 0.000 2.769 191 V HA 0.550 4.670 4.120 -0.000 0.000 0.312 191 V C -0.952 174.914 176.094 -0.380 0.000 1.061 191 V CA -1.096 61.062 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 3.662 124.517 121.223 -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 54.485 54.840 -0.700 0.000 0.851 192 L CB 1.771 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 0.517 4.867 4.350 -0.000 0.000 0.301 193 T C 0.071 174.744 174.700 -0.044 0.000 0.952 193 T CA -0.629 61.438 62.100 -0.054 0.000 0.983 193 T CB 0.513 69.406 68.868 0.041 0.000 0.930 193 T HN 0.299 nan 8.240 nan 0.000 0.494 194 V N 3.714 123.597 119.914 -0.051 0.000 2.488 194 V HA 0.751 4.871 4.120 -0.000 0.000 0.277 194 V C 1.073 177.179 176.094 0.020 0.000 1.046 194 V CA 0.414 62.716 62.300 0.004 0.000 0.986 194 V CB 0.101 31.917 31.823 -0.011 0.000 0.989 194 V HN 1.451 nan 8.190 nan 0.000 0.475 195 G N 3.179 112.020 108.800 0.069 0.000 2.334 195 G HA2 0.429 4.389 3.960 -0.000 0.000 0.566 195 G HA3 0.429 4.389 3.960 -0.000 0.000 0.566 195 G C -0.347 174.479 174.900 -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 -0.427 108.088 108.800 -0.475 0.000 4.519 196 G HA2 0.884 4.844 3.960 -0.000 0.000 0.336 196 G HA3 0.884 4.844 3.960 -0.000 0.000 0.336 196 G C 0.318 174.882 174.900 -0.559 0.000 1.491 196 G CA 0.711 45.247 45.100 -0.940 0.000 1.008 196 G HN 2.233 nan 8.290 nan 0.000 0.515 197 G N 0.386 109.036 108.800 -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 45.134 45.100 -0.127 0.000 0.945 197 G HN 1.566 nan 8.290 nan 0.000 0.710 198 F N 0.571 120.419 119.950 -0.170 0.000 2.467 198 F HA -0.365 4.162 4.527 -0.000 0.000 0.706 198 F C 2.110 177.897 175.800 -0.022 0.000 0.741 198 F CA 2.687 60.639 58.000 -0.080 0.000 1.035 198 F CB -1.467 37.534 39.000 0.001 0.000 1.530 198 F HN 0.614 nan 8.300 nan 0.000 0.267 199 I N 0.521 120.787 120.570 -0.506 0.000 2.194 199 I HA -0.327 3.843 4.170 -0.000 0.000 0.246 199 I C 2.621 178.673 176.117 -0.110 0.000 1.093 199 I CA 2.040 63.071 61.300 -0.448 0.000 1.355 199 I CB -0.800 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 0.319 115.981 115.700 -0.064 0.000 2.348 200 S HA -0.165 4.305 4.470 -0.000 0.000 0.221 200 S C 2.113 176.704 174.600 -0.014 0.000 1.033 200 S CA 1.803 59.989 58.200 -0.024 0.000 1.010 200 S CB -0.391 62.784 63.200 -0.041 0.000 0.891 200 S HN 0.406 nan 8.310 nan 0.000 0.442 201 V N -0.395 119.487 119.914 -0.052 0.000 2.871 201 V HA 0.123 4.243 4.120 -0.000 0.000 0.256 201 V C 1.890 177.941 176.094 -0.073 0.000 1.082 201 V CA 1.746 64.013 62.300 -0.056 0.000 1.105 201 V CB -0.765 31.008 31.823 -0.084 0.000 0.713 201 V HN 0.461 nan 8.190 nan 0.000 0.473 202 E N -0.287 119.846 120.200 -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 -0.295 0.000 0.982 202 E CA 1.423 57.714 56.400 -0.182 0.000 0.803 202 E CB -0.174 29.377 29.700 -0.249 0.000 0.755 202 E HN 0.677 nan 8.360 nan 0.000 0.453 203 F N 0.633 120.429 119.950 -0.256 0.000 2.456 203 F HA 0.032 4.559 4.527 0.000 0.000 0.298 203 F C 2.181 177.806 175.800 -0.290 0.000 1.104 203 F CA 0.731 58.492 58.000 -0.399 0.000 1.435 203 F CB -0.097 38.619 39.000 -0.473 0.000 1.078 203 F HN -0.025 nan 8.300 nan 0.000 0.546 204 A N -0.041 122.805 122.820 0.043 0.000 1.933 204 A HA -0.062 4.258 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 1.690 53.787 52.037 0.100 0.000 0.628 204 A CB -1.525 17.510 19.000 0.057 0.000 0.814 204 A HN 0.394 nan 8.150 nan 0.000 0.444 205 G N 0.222 109.003 108.800 -0.031 0.000 2.421 205 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.216 205 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.216 205 G C 1.518 176.411 174.900 -0.013 0.000 1.171 205 G CA 1.192 46.272 45.100 -0.035 0.000 0.775 205 G HN 0.489 nan 8.290 nan 0.000 0.543 206 I N -0.332 120.180 120.570 -0.096 0.000 2.252 206 I HA -0.057 4.113 4.170 -0.000 0.000 0.245 206 I C 2.412 178.670 176.117 0.235 0.000 1.102 206 I CA 0.646 61.944 61.300 -0.004 0.000 1.385 206 I CB -0.272 37.552 38.000 -0.294 0.000 1.064 206 I HN -0.002 nan 8.210 nan 0.000 0.414 207 F N 1.299 121.358 119.950 0.182 0.000 2.171 207 F HA -0.194 4.333 4.527 -0.000 0.000 0.300 207 F C 2.375 178.221 175.800 0.078 0.000 1.090 207 F CA 1.276 59.345 58.000 0.116 0.000 1.293 207 F CB -1.255 37.776 39.000 0.052 0.000 1.013 207 F HN 0.151 nan 8.300 nan 0.000 0.486 208 N N 0.457 119.301 118.700 0.238 0.000 2.120 208 N HA -0.151 4.589 4.740 -0.000 0.000 0.188 208 N C 1.835 177.395 175.510 0.083 0.000 1.024 208 N CA 1.592 54.716 53.050 0.124 0.000 0.852 208 N CB -0.335 38.194 38.487 0.071 0.000 1.003 208 N HN 0.156 nan 8.380 nan 0.000 0.424 209 A N -1.228 121.631 122.820 0.065 0.000 1.968 209 A HA -0.032 4.288 4.320 -0.000 0.000 0.217 209 A C 1.229 178.721 177.584 -0.153 0.000 1.169 209 A CA 0.934 52.922 52.037 -0.083 0.000 0.638 209 A CB -0.643 18.240 19.000 -0.194 0.000 0.812 209 A HN 0.478 nan 8.150 nan 0.000 0.446 210 Y N 0.669 121.070 120.300 0.167 0.000 2.485 210 Y HA 0.155 4.705 4.550 0.000 0.000 0.260 210 Y C 1.087 177.027 175.900 0.067 0.000 1.173 210 Y CA -0.100 58.114 58.100 0.191 0.000 1.252 210 Y CB -0.002 38.713 38.460 0.425 0.000 1.123 210 Y HN 0.370 nan 8.280 nan 0.000 0.524 211 K N 1.001 121.482 120.400 0.135 0.000 2.132 211 K HA 0.199 4.519 4.320 -0.000 0.000 0.240 211 K C -2.359 174.260 176.600 0.031 0.000 1.036 211 K CA -1.423 54.888 56.287 0.040 0.000 0.888 211 K CB 0.309 32.827 32.500 0.030 0.000 1.071 211 K HN -0.145 nan 8.250 nan 0.000 0.502 212 P HA 0.183 nan 4.420 nan 0.000 0.227 212 P C -0.708 176.599 177.300 0.012 0.000 1.801 212 P CA -0.323 62.783 63.100 0.010 0.000 0.971 212 P CB 0.483 32.177 31.700 -0.009 0.000 1.653 213 K N -0.230 120.180 120.400 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 0.726 121.129 120.400 0.004 0.000 2.328 214 D HA 0.100 4.740 4.640 -0.000 0.000 0.221 214 D C 0.750 177.048 176.300 -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 40.579 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 -0.254 119.555 119.800 0.016 0.000 2.268 216 Q HA 0.473 4.813 4.340 -0.000 0.000 0.266 216 Q C -1.197 174.840 176.000 0.062 0.000 1.006 216 Q CA -0.626 55.200 55.803 0.038 0.000 0.824 216 Q CB 2.095 30.857 28.738 0.041 0.000 1.306 216 Q HN 0.508 nan 8.270 nan 0.000 0.424 217 V N 2.692 122.641 119.914 0.059 0.000 2.427 217 V HA 0.751 4.871 4.120 -0.000 0.000 0.286 217 V C -0.399 175.737 176.094 0.069 0.000 1.034 217 V CA -0.579 61.757 62.300 0.060 0.000 0.893 217 V CB 1.725 33.594 31.823 0.077 0.000 0.982 217 V HN 0.878 nan 8.190 nan 0.000 0.452 218 T N 5.775 120.360 114.554 0.052 0.000 2.963 218 T HA 0.413 4.763 4.350 -0.000 0.000 0.328 218 T C -0.499 174.202 174.700 0.001 0.000 1.048 218 T CA -0.222 61.915 62.100 0.062 0.000 1.033 218 T CB 0.935 69.916 68.868 0.188 0.000 1.010 218 T HN 0.568 nan 8.240 nan 0.000 0.469 219 L N 4.197 125.436 121.223 0.026 0.000 2.319 219 L HA 0.603 4.943 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 -0.431 54.425 54.840 0.028 0.000 0.828 219 L CB 0.117 42.193 42.059 0.028 0.000 1.150 219 L HN 0.897 nan 8.230 nan 0.000 0.442 220 C N 4.849 124.196 119.300 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 -0.786 58.308 59.018 0.126 0.000 1.518 220 C CB 1.111 28.962 27.740 0.186 0.000 2.147 220 C HN 0.771 nan 8.230 nan 0.000 0.483 221 Y N 4.711 125.027 120.300 0.027 0.000 2.406 221 Y HA 0.581 5.131 4.550 -0.000 0.000 0.340 221 Y C 0.877 176.797 175.900 0.032 0.000 0.975 221 Y CA -1.282 56.837 58.100 0.031 0.000 1.056 221 Y CB 1.479 39.950 38.460 0.018 0.000 1.210 221 Y HN 0.906 nan 8.280 nan 0.000 0.448 222 R N 2.059 122.431 120.500 -0.215 0.000 2.386 222 R HA 0.371 4.711 4.340 -0.000 0.000 0.216 222 R C 0.418 176.288 176.300 -0.717 0.000 1.119 222 R CA 0.497 56.399 56.100 -0.330 0.000 1.158 222 R CB -0.449 29.798 30.300 -0.088 0.000 1.057 222 R HN 0.593 nan 8.270 nan 0.000 0.489 223 G N -0.462 107.458 108.800 -1.467 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 -1.160 118.946 120.200 -0.157 0.000 2.250 224 E HA 0.159 4.509 4.350 -0.000 0.000 0.192 224 E C 0.247 176.858 176.600 0.019 0.000 0.986 224 E CA 0.473 56.846 56.400 -0.045 0.000 0.849 224 E CB 0.176 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 0.813 120.466 119.600 0.087 0.000 2.365 225 M HA 0.235 4.715 4.480 -0.000 0.000 0.288 225 M C -0.449 176.001 176.300 0.250 0.000 1.152 225 M CA -0.567 54.806 55.300 0.121 0.000 0.948 225 M CB 2.197 34.823 32.600 0.043 0.000 1.729 225 M HN -0.067 nan 8.290 nan 0.000 0.487 226 I N 0.829 121.509 120.570 0.184 0.000 3.381 226 I HA 0.142 4.312 4.170 -0.000 0.000 0.275 226 I C 0.204 176.289 176.117 -0.053 0.000 1.252 226 I CA -0.460 60.876 61.300 0.060 0.000 1.292 226 I CB 0.204 38.190 38.000 -0.024 0.000 1.396 226 I HN 0.890 nan 8.210 nan 0.000 0.637 227 L N 0.941 122.059 121.223 -0.175 0.000 3.795 227 L HA -0.219 4.121 4.340 -0.000 0.000 0.489 227 L C 0.297 177.196 176.870 0.048 0.000 1.259 227 L CA 0.230 54.974 54.840 -0.160 0.000 0.765 227 L CB -1.502 40.346 42.059 -0.351 0.000 1.519 227 L HN 0.760 nan 8.230 nan 0.000 0.842 228 R N 0.061 120.585 120.500 0.039 0.000 2.481 228 R HA 0.205 4.545 4.340 -0.000 0.000 0.291 228 R C 1.374 177.788 176.300 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 30.207 30.300 0.131 0.000 0.895 228 R HN 0.517 nan 8.270 nan 0.000 0.410 229 G N 1.271 110.152 108.800 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 1.256 121.165 119.950 -0.067 0.000 2.408 230 F HA 0.578 5.105 4.527 -0.000 0.000 0.325 230 F C 0.807 176.522 175.800 -0.140 0.000 1.082 230 F CA -0.818 57.133 58.000 -0.082 0.000 1.032 230 F CB 0.788 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 -0.089 4.551 4.640 -0.000 0.000 0.235 231 D C 1.148 177.415 176.300 -0.056 0.000 1.137 231 D CA 0.723 54.596 54.000 -0.211 0.000 0.868 231 D CB 0.410 40.907 40.800 -0.505 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 1.559 176.898 175.328 0.018 0.000 1.092 232 H CA 1.998 58.054 56.048 0.014 0.000 1.309 232 H CB 0.449 30.229 29.762 0.029 0.000 1.382 232 H HN 0.437 nan 8.280 nan 0.000 0.535 233 T N 0.003 114.629 114.554 0.119 0.000 2.937 233 T HA -0.011 4.339 4.350 -0.000 0.000 0.260 233 T C 2.082 176.801 174.700 0.031 0.000 1.051 233 T CA 0.708 62.860 62.100 0.088 0.000 1.141 233 T CB 0.014 68.932 68.868 0.083 0.000 0.879 233 T HN 0.252 nan 8.240 nan 0.000 0.459 234 L N 0.543 121.772 121.223 0.009 0.000 2.141 234 L HA -0.032 4.308 4.340 -0.000 0.000 0.209 234 L C 2.748 179.600 176.870 -0.030 0.000 1.094 234 L CA 1.312 56.145 54.840 -0.011 0.000 0.763 234 L CB -0.519 41.554 42.059 0.025 0.000 0.908 234 L HN 0.199 nan 8.230 nan 0.000 0.437 235 R N 0.339 120.817 120.500 -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 1.431 57.490 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 0.538 120.734 120.200 -0.006 0.000 2.107 236 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 236 E C 1.549 178.153 176.600 0.006 0.000 0.982 236 E CA 0.666 57.078 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 0.990 121.190 120.200 0.000 0.000 2.106 237 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 237 E C 2.120 178.708 176.600 -0.020 0.000 0.984 237 E CA 0.538 56.934 56.400 -0.008 0.000 0.806 237 E CB -0.177 29.512 29.700 -0.018 0.000 0.750 237 E HN 0.215 nan 8.360 nan 0.000 0.458 238 L N 0.889 122.089 121.223 -0.038 0.000 2.093 238 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 238 L C 2.116 178.961 176.870 -0.043 0.000 1.085 238 L CA 1.642 56.452 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 -0.001 nan 8.230 nan 0.000 0.435 239 T N -0.640 113.892 114.554 -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 1.350 63.433 62.100 -0.028 0.000 1.131 239 T CB -0.074 68.786 68.868 -0.013 0.000 0.871 239 T HN 0.331 nan 8.240 nan 0.000 0.479 240 K N 0.639 121.023 120.400 -0.028 0.000 2.076 240 K HA 0.022 4.342 4.320 -0.000 0.000 0.204 240 K C 2.422 178.979 176.600 -0.071 0.000 1.051 240 K CA 0.997 57.262 56.287 -0.036 0.000 0.949 240 K CB -0.016 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 0.311 120.085 119.800 -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 0.328 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 0.053 121.232 121.223 -0.073 0.000 2.068 242 L HA -0.121 4.219 4.340 -0.000 0.000 0.204 242 L C 2.465 179.279 176.870 -0.093 0.000 1.076 242 L CA 1.640 56.439 54.840 -0.067 0.000 0.753 242 L CB -0.601 41.430 42.059 -0.046 0.000 0.910 242 L HN 0.367 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 2.131 124.786 122.820 -0.275 0.000 1.933 244 A HA -0.052 4.268 4.320 -0.000 0.000 0.218 244 A C 2.177 179.453 177.584 -0.512 0.000 1.175 244 A CA 1.602 53.337 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 -1.696 116.783 118.700 -0.368 0.000 2.398 245 N HA 0.248 4.988 4.740 -0.000 0.000 0.188 245 N C 0.679 176.131 175.510 -0.097 0.000 1.122 245 N CA 0.602 53.542 53.050 -0.184 0.000 0.866 245 N CB 0.146 38.590 38.487 -0.072 0.000 0.970 245 N HN 0.553 nan 8.380 nan 0.000 0.462 246 G N 1.337 110.076 108.800 -0.102 0.000 2.145 246 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.176 246 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.176 246 G C -0.116 174.769 174.900 -0.025 0.000 1.013 246 G CA 0.033 45.099 45.100 -0.056 0.000 0.689 246 G HN 0.363 nan 8.290 nan 0.000 0.506 247 I N -1.844 118.711 120.570 -0.026 0.000 2.336 247 I HA 0.659 4.829 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 60.291 61.300 0.001 0.000 1.227 247 I CB 1.144 39.150 38.000 0.009 0.000 1.366 247 I HN 0.079 nan 8.210 nan 0.000 0.466 248 Q N 6.659 126.471 119.800 0.020 0.000 2.255 248 Q HA 0.299 4.639 4.340 -0.000 0.000 0.280 248 Q C -0.823 175.190 176.000 0.022 0.000 1.068 248 Q CA 0.404 56.221 55.803 0.023 0.000 0.911 248 Q CB 0.995 29.765 28.738 0.054 0.000 1.157 248 Q HN 0.671 nan 8.270 nan 0.000 0.380 249 I N 4.645 125.220 120.570 0.009 0.000 2.371 249 I HA 0.133 4.303 4.170 -0.000 0.000 0.282 249 I C -0.786 175.336 176.117 0.008 0.000 1.031 249 I CA -0.723 60.586 61.300 0.016 0.000 1.180 249 I CB 0.821 38.828 38.000 0.012 0.000 1.336 249 I HN 0.315 nan 8.210 nan 0.000 0.467 250 L N 7.007 128.235 121.223 0.008 0.000 2.282 250 L HA 0.281 4.621 4.340 -0.000 0.000 0.287 250 L C 0.644 177.500 176.870 -0.023 0.000 1.075 250 L CA 0.144 54.961 54.840 -0.037 0.000 0.839 250 L CB 0.789 42.795 42.059 -0.089 0.000 1.219 250 L HN 0.567 nan 8.230 nan 0.000 0.434 251 T N -0.029 114.506 114.554 -0.031 0.000 2.922 251 T HA 0.404 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 0.948 69.797 68.868 -0.030 0.000 1.007 251 T HN 0.483 nan 8.240 nan 0.000 0.502 252 K N 0.150 120.461 120.400 -0.147 0.000 3.071 252 K HA -0.142 4.178 4.320 -0.000 0.000 0.265 252 K C -0.403 176.135 176.600 -0.102 0.000 1.060 252 K CA 0.738 56.946 56.287 -0.130 0.000 0.767 252 K CB -0.963 31.479 32.500 -0.097 0.000 1.241 252 K HN 0.642 nan 8.250 nan 0.000 0.486 253 E N 0.732 120.876 120.200 -0.095 0.000 2.234 253 E HA 0.319 4.669 4.350 -0.000 0.000 0.266 253 E C -1.081 175.590 176.600 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 2.945 121.809 118.700 0.274 0.000 2.397 254 N HA 0.318 5.058 4.740 -0.000 0.000 0.291 254 N C -2.771 172.930 175.510 0.318 0.000 1.065 254 N CA -1.910 51.308 53.050 0.280 0.000 0.884 254 N CB 2.080 40.647 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 -0.562 176.726 177.300 -0.019 0.000 1.173 255 P CA 0.422 63.466 63.100 -0.094 0.000 0.760 255 P CB 0.974 32.602 31.700 -0.120 0.000 0.783 256 A N 4.044 126.838 122.820 -0.043 0.000 2.026 256 A HA 0.152 4.472 4.320 -0.000 0.000 0.201 256 A C 0.650 178.221 177.584 -0.022 0.000 1.318 256 A CA 0.783 52.817 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 -1.997 174.572 176.600 -0.051 0.000 1.017 257 K CA -0.379 55.888 56.287 -0.033 0.000 0.897 257 K CB 1.832 34.324 32.500 -0.014 0.000 1.262 257 K HN -0.042 nan 8.250 nan 0.000 0.460 258 V N 5.356 125.259 119.914 -0.019 0.000 2.368 258 V HA 0.181 4.301 4.120 -0.000 0.000 0.266 258 V C 0.086 176.204 176.094 0.040 0.000 1.045 258 V CA -0.324 61.976 62.300 0.000 0.000 0.899 258 V CB 0.710 32.560 31.823 0.045 0.000 1.006 258 V HN 0.743 nan 8.190 nan 0.000 0.470 259 E N 5.706 125.882 120.200 -0.041 0.000 2.171 259 E HA 0.421 4.771 4.350 -0.000 0.000 0.271 259 E C -0.764 175.696 176.600 -0.234 0.000 0.916 259 E CA -0.912 55.435 56.400 -0.089 0.000 0.774 259 E CB 2.704 32.374 29.700 -0.050 0.000 1.128 259 E HN 0.564 nan 8.360 nan 0.000 0.403 260 L N 4.655 125.592 121.223 -0.477 0.000 2.456 260 L HA 0.091 4.431 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 -0.321 54.243 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 5.386 123.996 118.700 -0.150 0.000 2.437 261 N HA 0.392 5.132 4.740 -0.000 0.000 0.259 261 N C 0.262 175.726 175.510 -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 3.747 126.531 122.820 -0.061 0.000 5.150 262 A HA -0.400 3.920 4.320 -0.000 0.000 0.324 262 A C 1.148 178.708 177.584 -0.040 0.000 1.862 262 A CA 1.759 53.770 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 1.267 121.644 120.400 -0.038 0.000 2.421 263 D HA 0.210 4.850 4.640 -0.000 0.000 0.223 263 D C 1.517 177.797 176.300 -0.033 0.000 0.979 263 D CA 2.169 56.150 54.000 -0.032 0.000 0.959 263 D CB -1.124 39.656 40.800 -0.033 0.000 0.874 263 D HN 2.385 nan 8.370 nan 0.000 0.513 264 G N -0.938 107.837 108.800 -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 0.493 175.361 174.900 -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 0.364 116.029 115.700 -0.057 0.000 2.549 265 S HA 0.431 4.901 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 63.890 63.200 -0.069 0.000 0.851 265 S HN 0.474 nan 8.310 nan 0.000 0.530 266 K N 1.372 121.735 120.400 -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 56.064 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 1.735 117.387 115.700 -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 0.545 63.699 63.200 -0.076 0.000 0.972 267 S HN 0.265 nan 8.310 nan 0.000 0.484 268 V N 4.497 124.372 119.914 -0.064 0.000 2.334 268 V HA 0.212 4.332 4.120 -0.000 0.000 0.267 268 V C 0.524 176.460 176.094 -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 -0.159 0.000 0.934 269 T CA 0.110 62.155 62.100 -0.092 0.000 1.091 269 T CB -0.024 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 2.081 122.058 119.950 0.044 0.000 2.399 270 F HA 0.212 4.739 4.527 0.000 0.000 0.342 270 F C 1.976 177.790 175.800 0.024 0.000 1.106 270 F CA -0.969 57.053 58.000 0.038 0.000 1.196 270 F CB 0.616 39.641 39.000 0.041 0.000 1.163 270 F HN 0.675 nan 8.300 nan 0.000 0.547 271 E N -0.746 119.570 120.200 0.194 0.000 2.267 271 E HA -0.146 4.204 4.350 -0.000 0.000 0.197 271 E C 0.669 177.334 176.600 0.109 0.000 0.998 271 E CA 1.267 57.736 56.400 0.115 0.000 0.830 271 E CB -0.379 29.371 29.700 0.084 0.000 0.751 271 E HN 0.487 nan 8.360 nan 0.000 0.491 272 S N 0.610 116.397 115.700 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 0.059 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 0.595 45.741 45.100 0.076 0.000 0.966 273 G HN 0.678 nan 8.290 nan 0.000 0.624 274 K N 1.733 122.205 120.400 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 32.683 32.500 0.023 0.000 0.856 274 K HN 0.570 nan 8.250 nan 0.000 0.495 275 K N 4.240 124.768 120.400 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 55.723 56.287 0.171 0.000 0.802 275 K CB 1.130 33.664 32.500 0.057 0.000 1.171 275 K HN 0.550 nan 8.250 nan 0.000 0.426 276 M N 1.827 121.479 119.600 0.088 0.000 2.631 276 M HA 0.289 4.769 4.480 -0.000 0.000 0.288 276 M C -1.568 174.519 176.300 -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 0.733 120.776 120.400 -0.596 0.000 2.278 277 D HA 0.706 5.346 4.640 -0.000 0.000 0.245 277 D C -1.608 174.211 176.300 -0.801 0.000 1.052 277 D CA 0.300 54.000 54.000 -0.500 0.000 0.834 277 D CB 1.255 41.889 40.800 -0.277 0.000 1.194 277 D HN 0.170 nan 8.370 nan 0.000 0.481 278 F N 0.403 120.318 119.950 -0.058 0.000 2.629 278 F HA 0.327 4.854 4.527 -0.000 0.000 0.316 278 F C 1.060 176.806 175.800 -0.090 0.000 1.081 278 F CA -0.814 57.143 58.000 -0.071 0.000 0.954 278 F CB 1.592 40.547 39.000 -0.075 0.000 1.337 278 F HN 0.145 nan 8.300 nan 0.000 0.474 279 D N 0.437 120.902 120.400 0.109 0.000 2.355 279 D HA 0.164 4.804 4.640 -0.000 0.000 0.206 279 D C -0.395 175.883 176.300 -0.036 0.000 1.010 279 D CA 0.884 54.883 54.000 -0.001 0.000 0.875 279 D CB 0.952 41.723 40.800 -0.047 0.000 0.966 279 D HN 0.119 nan 8.370 nan 0.000 0.512 280 L N 0.829 122.020 121.223 -0.053 0.000 2.505 280 L HA 0.323 4.663 4.340 -0.000 0.000 0.266 280 L C -1.603 175.164 176.870 -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 0.080 176.085 176.094 -0.149 0.000 1.020 281 V CA -0.381 61.812 62.300 -0.178 0.000 0.850 281 V CB 1.490 33.240 31.823 -0.121 0.000 0.987 281 V HN 0.864 nan 8.190 nan 0.000 0.436 282 M N 6.151 125.654 119.600 -0.161 0.000 2.167 282 M HA 0.536 5.016 4.480 -0.000 0.000 0.333 282 M C -0.962 175.264 176.300 -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 33.877 32.600 -0.115 0.000 1.589 282 M HN 0.477 nan 8.290 nan 0.000 0.431 283 M N 4.158 123.686 119.600 -0.119 0.000 2.120 283 M HA 0.334 4.814 4.480 -0.000 0.000 0.354 283 M C -0.011 176.228 176.300 -0.101 0.000 1.287 283 M CA 0.042 55.284 55.300 -0.098 0.000 1.103 283 M CB 0.690 33.233 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 -0.453 18.508 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 62.013 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 0.518 4.478 3.960 -0.000 0.000 0.294 286 G HA3 0.518 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 0.085 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 5.120 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 -0.704 55.489 56.100 0.156 0.000 0.906 287 R CB 2.371 32.753 30.300 0.137 0.000 1.197 287 R HN 0.491 nan 8.270 nan 0.000 0.463 288 S N 2.274 118.066 115.700 0.154 0.000 2.547 288 S HA 0.420 4.890 4.470 -0.000 0.000 0.281 288 S C -2.706 171.980 174.600 0.144 0.000 1.118 288 S CA -1.363 56.900 58.200 0.106 0.000 0.947 288 S CB 2.334 65.566 63.200 0.054 0.000 1.053 288 S HN 0.363 nan 8.310 nan 0.000 0.482 289 P HA 0.045 nan 4.420 nan 0.000 0.263 289 P C -0.195 177.184 177.300 0.132 0.000 1.168 289 P CA 0.243 63.409 63.100 0.110 0.000 0.759 289 P CB 0.282 32.024 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 0.160 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 1.124 115.725 114.554 0.079 0.000 2.684 291 T HA -0.206 4.144 4.350 -0.000 0.000 0.267 291 T C 1.115 175.842 174.700 0.045 0.000 1.036 291 T CA 1.495 63.629 62.100 0.056 0.000 1.148 291 T CB 0.111 69.006 68.868 0.045 0.000 0.863 291 T HN 0.433 nan 8.240 nan 0.000 0.436 292 K N 0.523 120.949 120.400 0.043 0.000 2.279 292 K HA -0.276 4.044 4.320 -0.000 0.000 0.148 292 K C 0.596 177.201 176.600 0.009 0.000 0.794 292 K CA 2.440 58.742 56.287 0.025 0.000 0.699 292 K CB -1.010 31.505 32.500 0.026 0.000 0.597 292 K HN 0.500 nan 8.250 nan 0.000 0.890 293 D N 0.262 120.671 120.400 0.014 0.000 2.587 293 D HA 0.170 4.810 4.640 -0.000 0.000 0.233 293 D C 0.469 176.785 176.300 0.027 0.000 1.213 293 D CA -0.127 53.869 54.000 -0.006 0.000 0.827 293 D CB 0.283 41.050 40.800 -0.055 0.000 1.006 293 D HN 0.062 nan 8.370 nan 0.000 0.490 294 L N 0.189 121.430 121.223 0.031 0.000 2.509 294 L HA 0.086 4.426 4.340 -0.000 0.000 0.222 294 L C 0.513 177.392 176.870 0.015 0.000 1.123 294 L CA 0.620 55.480 54.840 0.033 0.000 0.856 294 L CB -0.437 41.645 42.059 0.038 0.000 0.985 294 L HN 0.029 nan 8.230 nan 0.000 0.456 295 Q N -0.823 118.979 119.800 0.004 0.000 2.478 295 Q HA -0.238 4.102 4.340 -0.000 0.000 0.286 295 Q C 1.293 177.292 176.000 -0.002 0.000 1.299 295 Q CA 0.538 56.339 55.803 -0.004 0.000 0.826 295 Q CB -2.228 26.505 28.738 -0.008 0.000 1.199 295 Q HN 0.408 nan 8.270 nan 0.000 0.451 296 L N 0.082 121.306 121.223 0.002 0.000 2.083 296 L HA -0.240 4.100 4.340 -0.000 0.000 0.209 296 L C 2.685 179.552 176.870 -0.004 0.000 1.083 296 L CA 2.077 56.918 54.840 0.001 0.000 0.752 296 L CB -0.490 41.572 42.059 0.006 0.000 0.899 296 L HN 0.486 nan 8.230 nan 0.000 0.433 297 Q N 0.398 120.195 119.800 -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 2.020 57.819 55.803 -0.007 0.000 0.862 297 Q CB -0.888 27.845 28.738 -0.007 0.000 0.905 297 Q HN 0.451 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 1.563 177.066 175.510 -0.012 0.000 1.013 298 N CA 2.154 55.197 53.050 -0.011 0.000 0.863 298 N CB -0.330 38.151 38.487 -0.011 0.000 0.990 298 N HN 0.537 nan 8.380 nan 0.000 0.430 299 A N -1.115 121.698 122.820 -0.013 0.000 2.115 299 A HA 0.496 4.816 4.320 -0.000 0.000 0.211 299 A C 1.306 178.878 177.584 -0.019 0.000 1.169 299 A CA 0.659 52.686 52.037 -0.017 0.000 0.787 299 A CB -0.065 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 -0.557 108.234 108.800 -0.016 0.000 2.203 300 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.231 300 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.231 300 G C -0.056 174.834 174.900 -0.017 0.000 1.058 300 G CA -0.011 45.080 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 0.618 4.738 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 -0.088 62.204 62.300 -0.014 0.000 1.023 301 V CB 1.723 33.539 31.823 -0.011 0.000 0.992 301 V HN 0.444 nan 8.190 nan 0.000 0.480 302 M N 4.205 123.802 119.600 -0.005 0.000 2.238 302 M HA 0.485 4.965 4.480 -0.000 0.000 0.350 302 M C -0.925 175.377 176.300 0.004 0.000 1.138 302 M CA -0.505 54.794 55.300 -0.001 0.000 1.040 302 M CB 1.381 33.980 32.600 -0.002 0.000 1.639 302 M HN 0.436 nan 8.290 nan 0.000 0.451 303 I N 4.383 124.957 120.570 0.006 0.000 2.395 303 I HA 0.145 4.315 4.170 -0.000 0.000 0.289 303 I C 1.040 177.160 176.117 0.006 0.000 1.023 303 I CA 0.109 61.413 61.300 0.008 0.000 1.350 303 I CB 0.829 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 4.241 124.645 120.400 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 -2.455 116.247 118.700 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 1.474 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 0.623 109.423 108.800 0.000 0.000 5.218 306 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.342 306 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.342 306 G C 0.414 175.325 174.900 0.018 0.000 1.391 306 G CA 0.646 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 -1.102 107.710 108.800 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 -0.106 174.808 174.900 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 0.031 4.151 4.120 -0.000 0.000 0.300 308 V C 0.840 176.947 176.094 0.021 0.000 1.019 308 V CA 0.333 62.648 62.300 0.025 0.000 1.160 308 V CB 0.185 32.029 31.823 0.034 0.000 0.901 308 V HN 0.813 nan 8.190 nan 0.000 0.481 309 Q N 4.535 124.344 119.800 0.015 0.000 2.286 309 Q HA 0.662 5.002 4.340 -0.000 0.000 0.257 309 Q C -1.121 174.891 176.000 0.021 0.000 0.941 309 Q CA -0.462 55.349 55.803 0.013 0.000 0.912 309 Q CB 1.833 30.576 28.738 0.008 0.000 1.192 309 Q HN 0.466 nan 8.270 nan 0.000 0.410 310 V N 3.137 123.067 119.914 0.026 0.000 2.932 310 V HA 0.178 4.298 4.120 -0.000 0.000 0.307 310 V C -0.905 175.218 176.094 0.048 0.000 1.147 310 V CA -0.615 61.713 62.300 0.047 0.000 0.951 310 V CB 2.295 34.154 31.823 0.061 0.000 1.031 310 V HN 1.135 nan 8.190 nan 0.000 0.426 311 D N 2.920 123.365 120.400 0.075 0.000 2.403 311 D HA 0.148 4.788 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 -0.002 54.046 54.000 0.080 0.000 1.062 311 D CB 0.585 41.458 40.800 0.123 0.000 1.119 311 D HN 0.537 nan 8.370 nan 0.000 0.557 312 E N -1.608 118.614 120.200 0.037 0.000 2.106 312 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 312 E C 1.216 177.668 176.600 -0.247 0.000 0.984 312 E CA 1.014 57.344 56.400 -0.117 0.000 0.806 312 E CB -0.303 29.250 29.700 -0.244 0.000 0.750 312 E HN 0.429 nan 8.360 nan 0.000 0.458 313 Y N 0.236 120.577 120.300 0.069 0.000 2.462 313 Y HA 0.136 4.686 4.550 -0.000 0.000 0.293 313 Y C 0.289 176.245 175.900 0.093 0.000 1.195 313 Y CA 0.087 58.226 58.100 0.064 0.000 1.276 313 Y CB 0.158 38.648 38.460 0.051 0.000 1.082 313 Y HN -0.196 nan 8.280 nan 0.000 0.514 314 S N 1.231 117.033 115.700 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 0.554 58.857 58.200 0.172 0.000 1.115 314 S CB -1.562 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 -0.701 119.946 120.500 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 -0.752 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 -0.269 114.272 114.554 -0.021 0.000 2.770 316 T HA 0.066 4.416 4.350 -0.000 0.000 0.281 316 T C 1.371 176.045 174.700 -0.045 0.000 0.981 316 T CA -0.197 61.886 62.100 -0.027 0.000 0.955 316 T CB 0.343 69.187 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 -0.142 4.598 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 0.835 53.865 53.050 -0.032 0.000 0.861 317 N CB -1.035 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 1.648 121.521 119.914 -0.069 0.000 2.493 318 V HA -0.040 4.080 4.120 -0.000 0.000 0.292 318 V C 1.289 177.294 176.094 -0.148 0.000 1.016 318 V CA 0.292 62.539 62.300 -0.089 0.000 1.097 318 V CB 0.914 32.688 31.823 -0.083 0.000 0.947 318 V HN 0.481 nan 8.190 nan 0.000 0.479 319 S N 3.018 118.639 115.700 -0.132 0.000 2.515 319 S HA -0.092 4.378 4.470 -0.000 0.000 0.231 319 S C 1.123 175.571 174.600 -0.253 0.000 0.987 319 S CA 0.668 58.774 58.200 -0.158 0.000 0.936 319 S CB -0.332 62.815 63.200 -0.089 0.000 0.766 319 S HN 0.928 nan 8.310 nan 0.000 0.528 320 N N 1.063 119.610 118.700 -0.255 0.000 2.234 320 N HA 0.249 4.989 4.740 -0.000 0.000 0.227 320 N C -0.335 174.930 175.510 -0.407 0.000 1.151 320 N CA -0.347 52.539 53.050 -0.272 0.000 0.865 320 N CB -0.060 38.374 38.487 -0.089 0.000 1.066 320 N HN 0.434 nan 8.380 nan 0.000 0.515 321 I N 0.911 121.154 120.570 -0.544 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 -1.004 60.049 61.300 -0.411 0.000 1.119 321 I CB 1.130 39.028 38.000 -0.171 0.000 1.289 321 I HN -0.158 nan 8.210 nan 0.000 0.438 322 Y N 3.690 124.012 120.300 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 1.934 40.426 38.460 0.052 0.000 1.284 322 Y HN 0.585 nan 8.280 nan 0.000 0.485 323 A N 1.740 124.690 122.820 0.217 0.000 2.549 323 A HA 0.894 5.214 4.320 -0.000 0.000 0.297 323 A C -1.276 176.386 177.584 0.130 0.000 1.061 323 A CA -0.658 51.466 52.037 0.145 0.000 0.690 323 A CB 1.231 20.289 19.000 0.097 0.000 1.287 323 A HN 0.794 nan 8.150 nan 0.000 0.402 324 I N -1.433 119.205 120.570 0.113 0.000 3.264 324 I HA 0.929 5.099 4.170 -0.000 0.000 0.315 324 I C 0.668 176.840 176.117 0.092 0.000 1.154 324 I CA -0.390 60.972 61.300 0.104 0.000 0.962 324 I CB 1.748 39.812 38.000 0.106 0.000 1.265 324 I HN 1.891 nan 8.210 nan 0.000 0.463 325 G N 2.397 111.253 108.800 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 0.051 174.996 174.900 0.076 0.000 1.152 325 G CA 0.895 46.048 45.100 0.088 0.000 0.970 325 G HN 0.800 nan 8.290 nan 0.000 0.549 326 D N -0.427 120.022 120.400 0.081 0.000 2.327 326 D HA 0.242 4.882 4.640 -0.000 0.000 0.205 326 D C 2.319 178.664 176.300 0.076 0.000 0.989 326 D CA 0.895 54.943 54.000 0.080 0.000 0.873 326 D CB 0.387 41.247 40.800 0.101 0.000 0.955 326 D HN 0.390 nan 8.370 nan 0.000 0.515 327 V N 1.031 120.993 119.914 0.079 0.000 3.041 327 V HA -0.120 4.000 4.120 -0.000 0.000 0.260 327 V C 2.002 178.129 176.094 0.054 0.000 1.105 327 V CA 2.083 64.427 62.300 0.073 0.000 1.125 327 V CB -0.560 31.310 31.823 0.078 0.000 0.730 327 V HN 0.329 nan 8.190 nan 0.000 0.479 328 T N -2.495 112.087 114.554 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 0.679 62.794 62.100 0.025 0.000 1.103 328 T CB -0.493 68.387 68.868 0.019 0.000 0.921 328 T HN 0.472 nan 8.240 nan 0.000 0.510 329 N N 0.853 119.561 118.700 0.014 0.000 2.727 329 N HA -0.170 4.570 4.740 -0.000 0.000 0.249 329 N C 0.325 175.816 175.510 -0.032 0.000 1.048 329 N CA 0.540 53.592 53.050 0.004 0.000 0.714 329 N CB -1.047 37.444 38.487 0.006 0.000 0.959 329 N HN 0.628 nan 8.380 nan 0.000 0.544 330 R N -1.091 119.375 120.500 -0.057 0.000 1.357 330 R HA 0.459 4.799 4.340 -0.000 0.000 0.099 330 R C 0.094 176.338 176.300 -0.094 0.000 1.519 330 R CA 0.498 56.512 56.100 -0.145 0.000 1.981 330 R CB 0.031 30.162 30.300 -0.282 0.000 1.068 330 R HN 0.008 nan 8.270 nan 0.000 0.638 331 V N 2.444 122.316 119.914 -0.070 0.000 2.432 331 V HA 0.238 4.358 4.120 -0.000 0.000 0.275 331 V C 0.119 176.233 176.094 0.033 0.000 1.043 331 V CA 0.065 62.371 62.300 0.011 0.000 0.925 331 V CB 1.397 33.276 31.823 0.093 0.000 0.985 331 V HN 0.466 nan 8.190 nan 0.000 0.466 332 M N 6.402 126.014 119.600 0.019 0.000 3.176 332 M HA 0.389 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 0.080 32.712 32.600 0.052 0.000 1.100 332 M HN 0.385 nan 8.290 nan 0.000 0.555 333 L N 0.382 121.639 121.223 0.056 0.000 2.472 333 L HA 0.379 4.719 4.340 -0.000 0.000 0.260 333 L C 0.999 177.913 176.870 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 44.302 42.059 0.039 0.000 1.348 333 L HN 0.318 nan 8.230 nan 0.000 0.408 334 T N 2.361 116.964 114.554 0.081 0.000 2.652 334 T HA -0.051 4.299 4.350 -0.000 0.000 0.267 334 T C -1.308 173.429 174.700 0.061 0.000 1.039 334 T CA 2.070 64.213 62.100 0.073 0.000 1.153 334 T CB -0.603 68.307 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 63.694 63.100 0.041 0.000 0.769 335 P CB -0.197 31.525 31.700 0.037 0.000 0.807 336 V N 0.582 120.523 119.914 0.046 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 -0.099 122.768 122.820 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 1.280 53.367 52.037 0.084 0.000 0.638 337 A CB -0.454 18.595 19.000 0.082 0.000 0.812 337 A HN 0.498 nan 8.150 nan 0.000 0.446 338 I N -0.307 120.297 120.570 0.057 0.000 2.439 338 I HA -0.185 3.985 4.170 -0.000 0.000 0.251 338 I C 2.420 178.565 176.117 0.046 0.000 1.139 338 I CA 0.865 62.196 61.300 0.051 0.000 1.438 338 I CB -0.255 37.770 38.000 0.042 0.000 1.085 338 I HN 0.405 nan 8.210 nan 0.000 0.427 339 N N 0.841 119.560 118.700 0.031 0.000 2.135 339 N HA -0.159 4.581 4.740 -0.000 0.000 0.186 339 N C 1.713 177.233 175.510 0.016 0.000 1.027 339 N CA 1.182 54.239 53.050 0.011 0.000 0.849 339 N CB 0.108 38.578 38.487 -0.028 0.000 1.002 339 N HN 0.362 nan 8.380 nan 0.000 0.425 340 E N 0.700 120.918 120.200 0.031 0.000 2.086 340 E HA -0.210 4.140 4.350 -0.000 0.000 0.200 340 E C 1.946 178.584 176.600 0.064 0.000 1.012 340 E CA 1.369 57.804 56.400 0.059 0.000 0.812 340 E CB -0.144 29.623 29.700 0.112 0.000 0.743 340 E HN 0.391 nan 8.360 nan 0.000 0.453 341 A N 1.440 124.302 122.820 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 0.084 0.000 1.186 341 A CA 1.895 53.980 52.037 0.080 0.000 0.620 341 A CB -0.737 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 -0.367 122.500 122.820 0.078 0.000 1.933 342 A HA 0.158 4.478 4.320 -0.000 0.000 0.218 342 A C 2.401 180.041 177.584 0.093 0.000 1.175 342 A CA 2.112 54.204 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 -0.951 121.908 122.820 0.064 0.000 2.123 343 A HA 0.230 4.550 4.320 -0.000 0.000 0.214 343 A C 2.028 179.644 177.584 0.053 0.000 1.152 343 A CA 0.872 52.943 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 2.690 179.527 176.870 -0.055 0.000 1.071 344 L CA 2.401 57.223 54.840 -0.030 0.000 0.744 344 L CB -0.482 41.556 42.059 -0.035 0.000 0.893 344 L HN 0.413 nan 8.230 nan 0.000 0.433 345 V N -2.360 117.595 119.914 0.068 0.000 2.407 345 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 345 V C 1.963 178.093 176.094 0.060 0.000 1.055 345 V CA 2.158 64.573 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 2.242 178.537 176.300 -0.009 0.000 0.980 346 D CA 1.924 55.989 54.000 0.108 0.000 0.842 346 D CB -0.300 40.588 40.800 0.146 0.000 0.948 346 D HN 0.561 nan 8.370 nan 0.000 0.472 347 T N -0.874 113.665 114.554 -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 1.420 63.489 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 -1.345 118.397 119.914 -0.287 0.000 2.795 348 V HA 0.266 4.386 4.120 -0.000 0.000 0.243 348 V C 1.648 177.372 176.094 -0.617 0.000 1.069 348 V CA 0.897 62.918 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 2.043 121.766 119.950 -0.378 0.000 2.727 349 F HA 0.664 5.191 4.527 -0.000 0.000 0.302 349 F C 1.527 176.819 175.800 -0.847 0.000 1.097 349 F CA 0.335 58.010 58.000 -0.541 0.000 1.330 349 F CB -0.068 38.582 39.000 -0.582 0.000 1.084 349 F HN 0.375 nan 8.300 nan 0.000 0.578 350 G N -0.464 108.021 108.800 -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 -0.257 114.286 114.554 -0.018 0.000 2.673 351 T HA -0.022 4.328 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 4.140 122.851 118.700 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 -0.710 52.355 53.050 0.025 0.000 0.848 352 N CB 0.047 38.563 38.487 0.049 0.000 1.084 352 N HN 0.173 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 -0.144 63.014 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 -1.290 175.034 176.300 0.040 0.000 1.139 354 R CA -0.482 55.694 56.100 0.127 0.000 1.158 354 R CB 1.185 31.536 30.300 0.084 0.000 1.269 354 R HN 0.598 nan 8.270 nan 0.000 0.459 355 K N 0.846 121.187 120.400 -0.098 0.000 2.375 355 K HA 0.553 4.873 4.320 -0.000 0.000 0.249 355 K C -0.460 176.044 176.600 -0.159 0.000 0.942 355 K CA -0.866 55.280 56.287 -0.235 0.000 0.806 355 K CB 2.179 34.367 32.500 -0.521 0.000 1.227 355 K HN 0.162 nan 8.250 nan 0.000 0.430 356 T N 1.512 115.960 114.554 -0.175 0.000 2.884 356 T HA 0.014 4.364 4.350 -0.000 0.000 0.298 356 T C -0.599 173.884 174.700 -0.360 0.000 0.998 356 T CA 0.030 61.966 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 1.393 121.627 120.400 -0.278 0.000 2.365 357 D HA 0.111 4.751 4.640 -0.000 0.000 0.237 357 D C 0.594 176.739 176.300 -0.258 0.000 1.190 357 D CA -0.151 53.732 54.000 -0.195 0.000 0.867 357 D CB 0.433 41.171 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 56.425 56.048 -0.024 0.000 1.147 358 H CB 0.397 30.145 29.762 -0.024 0.000 1.365 358 H HN 0.303 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 -0.451 120.043 120.500 -0.009 0.000 3.651 360 R HA -0.107 4.233 4.340 -0.000 0.000 0.292 360 R C -0.531 175.751 176.300 -0.029 0.000 1.161 360 R CA 0.224 56.310 56.100 -0.024 0.000 0.787 360 R CB -3.059 27.229 30.300 -0.020 0.000 1.249 360 R HN 0.646 nan 8.270 nan 0.000 0.476 361 V N 1.088 120.987 119.914 -0.025 0.000 2.427 361 V HA 0.463 4.583 4.120 -0.000 0.000 0.268 361 V C 1.319 177.393 176.094 -0.032 0.000 1.046 361 V CA -0.125 62.162 62.300 -0.023 0.000 0.970 361 V CB 1.424 33.242 31.823 -0.009 0.000 1.001 361 V HN 0.411 nan 8.190 nan 0.000 0.476 362 A N 5.235 128.039 122.820 -0.027 0.000 2.388 362 A HA 0.731 5.051 4.320 -0.000 0.000 0.257 362 A C 0.499 178.075 177.584 -0.014 0.000 1.095 362 A CA 0.090 52.109 52.037 -0.030 0.000 0.791 362 A CB 0.384 19.371 19.000 -0.020 0.000 1.029 362 A HN 1.105 nan 8.150 nan 0.000 0.489 363 S N -0.170 115.521 115.700 -0.015 0.000 2.671 363 S HA 0.901 5.371 4.470 -0.000 0.000 0.277 363 S C -0.630 173.979 174.600 0.014 0.000 1.165 363 S CA -0.201 58.004 58.200 0.009 0.000 0.822 363 S CB 1.580 64.777 63.200 -0.004 0.000 1.150 363 S HN 2.249 nan 8.310 nan 0.000 0.479 364 A N 0.422 123.255 122.820 0.020 0.000 2.520 364 A HA 0.737 5.057 4.320 -0.000 0.000 0.298 364 A C -1.285 176.279 177.584 -0.032 0.000 1.051 364 A CA -0.757 51.222 52.037 -0.096 0.000 0.690 364 A CB 1.543 20.328 19.000 -0.358 0.000 1.281 364 A HN 1.105 nan 8.150 nan 0.000 0.402 365 V N 1.714 121.590 119.914 -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 -0.119 0.000 1.031 365 V CA -0.033 62.285 62.300 0.029 0.000 0.881 365 V CB 0.751 32.528 31.823 -0.077 0.000 0.982 365 V HN 0.739 nan 8.190 nan 0.000 0.451 366 F N 3.072 123.039 119.950 0.028 0.000 2.871 366 F HA 0.219 4.746 4.527 0.000 0.000 0.317 366 F C 1.461 177.216 175.800 -0.074 0.000 1.193 366 F CA -0.316 57.668 58.000 -0.027 0.000 1.311 366 F CB -0.128 38.849 39.000 -0.038 0.000 1.380 366 F HN 0.571 nan 8.300 nan 0.000 0.557 367 S N -0.129 115.582 115.700 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 57.509 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 -2.090 59.196 61.300 -0.024 0.000 1.161 368 I CB 1.356 39.337 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 61.093 63.100 -0.029 0.000 0.824 369 P CB 0.352 32.037 31.700 -0.026 0.000 1.092 370 P HA 0.353 nan 4.420 nan 0.000 0.277 370 P C -0.577 176.640 177.300 -0.138 0.000 1.271 370 P CA -0.125 62.900 63.100 -0.125 0.000 0.795 370 P CB 0.849 32.439 31.700 -0.184 0.000 1.101 371 I N -0.711 119.763 120.570 -0.160 0.000 2.545 371 I HA 0.531 4.701 4.170 -0.000 0.000 0.292 371 I C 0.289 176.350 176.117 -0.093 0.000 1.040 371 I CA -0.457 60.783 61.300 -0.099 0.000 1.068 371 I CB 2.256 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 2.458 111.225 108.800 -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 -1.214 173.688 174.900 0.004 0.000 1.322 372 G CA -0.416 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 -0.832 113.722 114.554 0.001 0.000 2.932 373 T HA 0.559 4.909 4.350 -0.000 0.000 0.318 373 T C -1.536 173.097 174.700 -0.111 0.000 1.265 373 T CA -0.510 61.569 62.100 -0.035 0.000 1.036 373 T CB 1.483 70.407 68.868 0.095 0.000 1.209 373 T HN 1.199 nan 8.240 nan 0.000 0.484 374 C N 3.262 122.421 119.300 -0.237 0.000 2.931 374 C HA 0.863 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 -0.182 0.000 1.266 374 C CB 0.196 27.867 27.740 -0.115 0.000 1.691 374 C HN 1.905 nan 8.230 nan 0.000 0.511 375 G N 4.158 112.875 108.800 -0.138 0.000 2.615 375 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.218 375 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.218 375 G C -1.031 173.844 174.900 -0.041 0.000 1.339 375 G CA -0.281 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 0.950 122.175 121.223 0.003 0.000 2.371 376 L HA 0.520 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 -0.671 54.204 54.840 0.058 0.000 0.816 376 L CB 0.946 43.034 42.059 0.049 0.000 1.129 376 L HN 0.661 nan 8.230 nan 0.000 0.448 377 I N -0.908 119.709 120.570 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 0.810 38.728 38.000 -0.137 0.000 1.417 377 I HN 0.753 nan 8.210 nan 0.000 0.540 378 E N 3.235 123.395 120.200 -0.065 0.000 2.246 378 E HA -0.348 4.002 4.350 -0.000 0.000 0.232 378 E C 1.549 178.014 176.600 -0.225 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 -1.024 119.090 120.200 -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 -0.323 119.554 119.914 -0.062 0.000 2.788 380 V HA 0.110 4.230 4.120 -0.000 0.000 0.241 380 V C 2.081 178.184 176.094 0.015 0.000 1.083 380 V CA 0.997 63.286 62.300 -0.018 0.000 1.103 380 V CB -0.264 31.560 31.823 0.001 0.000 0.800 380 V HN 0.274 nan 8.190 nan 0.000 0.476 381 A N 1.555 124.396 122.820 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 2.145 54.284 52.037 0.171 0.000 0.628 381 A CB -0.724 18.328 19.000 0.087 0.000 0.814 381 A HN 0.670 nan 8.150 nan 0.000 0.444 382 S N -0.186 115.490 115.700 -0.040 0.000 2.469 382 S HA -0.118 4.352 4.470 -0.000 0.000 0.238 382 S C 1.559 176.173 174.600 0.024 0.000 0.998 382 S CA 1.448 59.614 58.200 -0.055 0.000 0.957 382 S CB -0.223 62.763 63.200 -0.356 0.000 0.764 382 S HN 0.660 nan 8.310 nan 0.000 0.514 383 K N 0.275 120.680 120.400 0.008 0.000 2.356 383 K HA 0.249 4.569 4.320 -0.000 0.000 0.195 383 K C 2.119 178.701 176.600 -0.030 0.000 1.037 383 K CA 0.198 56.486 56.287 0.001 0.000 1.014 383 K CB 0.107 32.602 32.500 -0.008 0.000 0.815 383 K HN 0.198 nan 8.250 nan 0.000 0.507 384 R N -0.812 119.662 120.500 -0.044 0.000 2.206 384 R HA 0.133 4.473 4.340 -0.000 0.000 0.198 384 R C -0.174 175.825 176.300 -0.501 0.000 0.986 384 R CA 0.599 56.538 56.100 -0.269 0.000 1.029 384 R CB 0.422 30.525 30.300 -0.328 0.000 0.966 384 R HN 0.008 nan 8.270 nan 0.000 0.487 385 Y N -0.926 119.388 120.300 0.024 0.000 2.536 385 Y HA 0.241 4.791 4.550 0.000 0.000 0.347 385 Y C 1.077 177.015 175.900 0.063 0.000 1.000 385 Y CA -1.104 57.022 58.100 0.042 0.000 1.051 385 Y CB 1.691 40.181 38.460 0.049 0.000 1.259 385 Y HN -0.174 nan 8.280 nan 0.000 0.468 386 E N 0.643 120.967 120.200 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 0.681 57.171 56.400 0.150 0.000 0.803 386 E CB 0.528 30.294 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 33.748 31.823 0.249 0.000 0.998 387 V HN -0.037 nan 8.190 nan 0.000 0.423 388 V N 6.075 126.162 119.914 0.289 0.000 2.628 388 V HA 0.896 5.016 4.120 -0.000 0.000 0.306 388 V C 0.313 176.494 176.094 0.145 0.000 1.045 388 V CA -0.102 62.322 62.300 0.207 0.000 0.905 388 V CB 1.856 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 3.967 126.793 122.820 0.011 0.000 2.318 389 A HA 0.847 5.167 4.320 -0.000 0.000 0.324 389 A C -0.888 176.578 177.584 -0.196 0.000 1.170 389 A CA -0.525 51.332 52.037 -0.300 0.000 0.810 389 A CB 1.469 20.236 19.000 -0.388 0.000 1.198 389 A HN 0.671 nan 8.150 nan 0.000 0.484 390 V N 3.078 122.695 119.914 -0.496 0.000 2.384 390 V HA 0.347 4.467 4.120 -0.000 0.000 0.287 390 V C -1.278 174.603 176.094 -0.354 0.000 1.020 390 V CA -0.419 61.656 62.300 -0.374 0.000 0.850 390 V CB 0.663 32.058 31.823 -0.713 0.000 0.987 390 V HN 0.716 nan 8.190 nan 0.000 0.436 391 Y N 4.942 125.101 120.300 -0.236 0.000 2.335 391 Y HA 0.639 5.189 4.550 -0.000 0.000 0.339 391 Y C -0.026 175.850 175.900 -0.040 0.000 0.987 391 Y CA -1.119 56.901 58.100 -0.133 0.000 1.140 391 Y CB 1.395 39.808 38.460 -0.078 0.000 1.173 391 Y HN 0.391 nan 8.280 nan 0.000 0.486 392 L N 3.137 124.435 121.223 0.124 0.000 2.385 392 L HA 0.672 5.012 4.340 -0.000 0.000 0.273 392 L C -1.040 175.930 176.870 0.167 0.000 0.990 392 L CA -0.256 54.671 54.840 0.146 0.000 0.821 392 L CB 2.136 44.288 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 -1.196 173.589 174.600 0.309 0.000 1.163 393 S CA -0.288 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 4.360 120.228 115.700 0.280 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 57.594 58.200 0.181 0.000 0.999 394 S CB 0.949 64.207 63.200 0.097 0.000 1.034 394 S HN 0.756 nan 8.310 nan 0.000 0.483 395 F N -1.665 118.389 119.950 0.174 0.000 2.665 395 F HA 0.591 5.118 4.527 0.000 0.000 0.308 395 F C -0.742 175.148 175.800 0.150 0.000 1.112 395 F CA -0.939 57.144 58.000 0.137 0.000 0.972 395 F CB 0.491 39.561 39.000 0.116 0.000 1.295 395 F HN 0.293 nan 8.300 nan 0.000 0.440 396 T N 3.800 118.474 114.554 0.200 0.000 2.737 396 T HA 0.384 4.734 4.350 -0.000 0.000 0.296 396 T C -2.526 172.355 174.700 0.300 0.000 0.922 396 T CA -0.848 61.348 62.100 0.160 0.000 1.079 396 T CB 0.503 69.446 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 1.247 178.666 177.300 0.197 0.000 1.205 397 P CA -0.470 62.828 63.100 0.331 0.000 0.771 397 P CB 0.571 32.430 31.700 0.265 0.000 0.858 398 L N 3.127 124.432 121.223 0.137 0.000 2.013 398 L HA -0.219 4.121 4.340 -0.000 0.000 0.212 398 L C 1.988 178.898 176.870 0.066 0.000 1.073 398 L CA 2.382 57.271 54.840 0.082 0.000 0.753 398 L CB -0.556 41.532 42.059 0.048 0.000 0.890 398 L HN 0.509 nan 8.230 nan 0.000 0.432 399 M N -2.197 117.432 119.600 0.049 0.000 2.346 399 M HA -0.219 4.261 4.480 -0.000 0.000 0.263 399 M C 1.540 177.845 176.300 0.009 0.000 1.064 399 M CA 1.748 57.091 55.300 0.072 0.000 1.083 399 M CB -0.567 32.020 32.600 -0.022 0.000 1.399 399 M HN 0.124 nan 8.290 nan 0.000 0.435 400 H N -0.069 119.073 119.070 0.120 0.000 2.622 400 H HA 0.265 4.821 4.556 -0.000 0.000 0.269 400 H C 0.956 176.298 175.328 0.024 0.000 0.977 400 H CA 0.601 56.686 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 0.667 119.445 118.700 0.130 0.000 2.135 401 N HA -0.060 4.680 4.740 -0.000 0.000 0.186 401 N C 1.920 177.447 175.510 0.027 0.000 1.027 401 N CA 1.235 54.327 53.050 0.070 0.000 0.849 401 N CB 0.146 38.665 38.487 0.054 0.000 1.002 401 N HN 0.347 nan 8.380 nan 0.000 0.425 402 I N -1.264 119.296 120.570 -0.016 0.000 3.428 402 I HA 0.098 4.268 4.170 -0.000 0.000 0.286 402 I C 1.790 177.820 176.117 -0.145 0.000 1.287 402 I CA 0.507 61.724 61.300 -0.137 0.000 1.396 402 I CB -0.177 37.646 38.000 -0.296 0.000 1.062 402 I HN 0.074 nan 8.210 nan 0.000 0.471 403 S N 1.063 116.801 115.700 0.063 0.000 2.421 403 S HA 0.300 4.770 4.470 -0.000 0.000 0.224 403 S C 1.782 176.473 174.600 0.151 0.000 1.035 403 S CA 0.813 59.149 58.200 0.226 0.000 0.953 403 S CB 0.115 63.563 63.200 0.413 0.000 0.810 403 S HN 0.698 nan 8.310 nan 0.000 0.497 404 G N 0.189 109.052 108.800 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 0.317 175.223 174.900 0.010 0.000 0.998 404 G CA 0.041 45.178 45.100 0.062 0.000 0.656 404 G HN 0.629 nan 8.290 nan 0.000 0.490 405 S N 1.367 117.019 115.700 -0.079 0.000 3.812 405 S HA 0.298 4.768 4.470 -0.000 0.000 0.195 405 S C 1.409 175.722 174.600 -0.479 0.000 1.460 405 S CA 0.145 58.042 58.200 -0.505 0.000 1.052 405 S CB 0.628 63.389 63.200 -0.732 0.000 1.385 405 S HN 0.556 nan 8.310 nan 0.000 0.490 406 K N 0.735 121.037 120.400 -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 1.235 57.498 56.287 -0.040 0.000 0.942 406 K CB -0.481 32.044 32.500 0.043 0.000 0.739 406 K HN 0.758 nan 8.250 nan 0.000 0.457 407 Y N 0.715 121.007 120.300 -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 -0.460 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 -0.378 176.151 176.600 -0.118 0.000 1.126 408 K CA 0.079 56.198 56.287 -0.280 0.000 1.005 408 K CB -0.057 32.032 32.500 -0.686 0.000 1.336 408 K HN 0.196 nan 8.250 nan 0.000 0.369 409 T N 2.117 116.643 114.554 -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 -0.104 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 3.300 122.999 119.950 -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 39.197 39.000 -0.799 0.000 1.150 410 F HN 0.218 nan 8.300 nan 0.000 0.472 411 V N 5.849 125.465 119.914 -0.497 0.000 2.398 411 V HA 0.755 4.875 4.120 -0.000 0.000 0.286 411 V C -0.275 175.650 176.094 -0.280 0.000 1.026 411 V CA -0.641 61.518 62.300 -0.236 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 0.035 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 1.043 20.282 19.000 0.399 0.000 1.181 412 A HN 0.709 nan 8.150 nan 0.000 0.454 413 K N 2.459 122.934 120.400 0.125 0.000 2.378 413 K HA 0.738 5.058 4.320 -0.000 0.000 0.252 413 K C -1.578 175.083 176.600 0.101 0.000 0.931 413 K CA -0.510 55.860 56.287 0.138 0.000 0.794 413 K CB 1.545 34.139 32.500 0.156 0.000 1.181 413 K HN 0.703 nan 8.250 nan 0.000 0.425 414 I N 6.072 126.674 120.570 0.053 0.000 2.468 414 I HA 0.282 4.452 4.170 -0.000 0.000 0.284 414 I C -0.326 175.762 176.117 -0.049 0.000 1.038 414 I CA -1.003 60.236 61.300 -0.103 0.000 1.083 414 I CB 1.379 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 2.975 123.521 120.570 -0.039 0.000 2.437 415 I HA 0.696 4.866 4.170 -0.000 0.000 0.298 415 I C -0.340 175.720 176.117 -0.096 0.000 0.984 415 I CA 0.218 61.507 61.300 -0.017 0.000 1.214 415 I CB 2.030 40.042 38.000 0.020 0.000 1.365 415 I HN 0.353 nan 8.210 nan 0.000 0.469 416 T N 4.111 118.633 114.554 -0.054 0.000 2.893 416 T HA 0.324 4.674 4.350 -0.000 0.000 0.293 416 T C -0.680 173.975 174.700 -0.075 0.000 1.027 416 T CA -0.553 61.498 62.100 -0.081 0.000 0.988 416 T CB 1.052 69.931 68.868 0.018 0.000 1.043 416 T HN 0.785 nan 8.240 nan 0.000 0.461 417 N N 1.792 120.375 118.700 -0.195 0.000 2.406 417 N HA 0.045 4.785 4.740 -0.000 0.000 0.265 417 N C 0.810 176.352 175.510 0.053 0.000 1.203 417 N CA 0.250 53.190 53.050 -0.184 0.000 0.945 417 N CB 0.478 38.735 38.487 -0.383 0.000 1.165 417 N HN 0.630 nan 8.380 nan 0.000 0.485 418 H N 2.055 121.154 119.070 0.049 0.000 2.521 418 H HA 0.078 4.634 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 1.330 57.446 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 1.010 175.600 174.600 -0.018 0.000 0.978 419 S CA 0.975 59.182 58.200 0.011 0.000 0.934 419 S CB 0.169 63.418 63.200 0.081 0.000 0.766 419 S HN 0.848 nan 8.310 nan 0.000 0.533 420 D N -2.011 118.380 120.400 -0.014 0.000 2.184 420 D HA 0.072 4.712 4.640 -0.000 0.000 0.508 420 D C 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 -0.348 40.457 40.800 0.007 0.000 1.460 420 D HN 0.388 nan 8.370 nan 0.000 0.467 421 G N 1.179 109.977 108.800 -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 0.359 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 0.464 4.814 4.350 -0.000 0.000 0.293 422 T C 0.677 175.279 174.700 -0.163 0.000 0.970 422 T CA -0.096 61.944 62.100 -0.100 0.000 1.168 422 T CB 2.052 70.873 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 4.148 4.120 -0.000 0.000 0.292 423 V C 1.453 177.422 176.094 -0.210 0.000 1.016 423 V CA 0.116 62.252 62.300 -0.274 0.000 1.097 423 V CB -0.291 31.278 31.823 -0.424 0.000 0.947 423 V HN 0.883 nan 8.190 nan 0.000 0.479 424 L N 4.171 125.265 121.223 -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 -0.031 41.894 42.059 -0.224 0.000 0.963 424 L HN 0.777 nan 8.230 nan 0.000 0.459 425 G N -0.397 108.311 108.800 -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 -1.750 172.958 174.900 -0.319 0.000 1.430 425 G CA -0.296 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 2.826 122.461 119.914 -0.464 0.000 2.581 426 V HA 0.671 4.791 4.120 -0.000 0.000 0.303 426 V C -0.676 175.047 176.094 -0.618 0.000 1.041 426 V CA -0.818 61.266 62.300 -0.360 0.000 0.907 426 V CB 1.806 33.536 31.823 -0.155 0.000 0.994 426 V HN 0.788 nan 8.190 nan 0.000 0.442 427 H N 4.905 123.964 119.070 -0.018 0.000 2.877 427 H HA 0.641 5.197 4.556 -0.000 0.000 0.347 427 H C -1.411 173.891 175.328 -0.043 0.000 1.042 427 H CA -0.551 55.486 56.048 -0.019 0.000 1.276 427 H CB 2.135 31.891 29.762 -0.010 0.000 1.681 427 H HN 0.498 nan 8.280 nan 0.000 0.521 428 L N 1.908 123.139 121.223 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 2.127 44.076 42.059 -0.183 0.000 1.330 428 L HN 0.302 nan 8.230 nan 0.000 0.410 429 L N 1.474 122.464 121.223 -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 0.338 54.991 54.840 -0.312 0.000 0.820 429 L CB 1.582 43.522 42.059 -0.199 0.000 1.270 429 L HN 0.981 nan 8.230 nan 0.000 0.415 430 G N 2.456 111.115 108.800 -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 0.090 0.000 1.465 430 G CA -0.875 44.194 45.100 -0.051 0.000 0.996 430 G HN 0.696 nan 8.290 nan 0.000 0.655 431 D N 1.001 121.504 120.400 0.171 0.000 2.493 431 D HA 0.201 4.841 4.640 -0.000 0.000 0.240 431 D C 0.913 177.315 176.300 0.170 0.000 1.142 431 D CA 0.849 54.937 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 0.506 119.269 118.700 0.105 0.000 2.925 432 N HA -0.227 4.513 4.740 -0.000 0.000 0.244 432 N C 1.030 176.597 175.510 0.095 0.000 1.000 432 N CA 0.897 54.005 53.050 0.095 0.000 0.895 432 N CB -1.302 37.247 38.487 0.104 0.000 1.119 432 N HN 0.546 nan 8.380 nan 0.000 0.569 433 A N 0.465 123.325 122.820 0.067 0.000 1.892 433 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 433 A C -0.256 177.313 177.584 -0.025 0.000 1.188 433 A CA 2.201 54.251 52.037 0.021 0.000 0.631 433 A CB -1.149 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 1.226 178.515 177.300 -0.017 0.000 1.150 434 P CA 1.117 64.146 63.100 -0.118 0.000 0.832 434 P CB -0.019 31.510 31.700 -0.285 0.000 0.787 435 E N -0.364 119.846 120.200 0.017 0.000 2.072 435 E HA -0.094 4.256 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 0.979 57.401 56.400 0.036 0.000 0.801 435 E CB -0.763 28.963 29.700 0.043 0.000 0.750 435 E HN 0.332 nan 8.360 nan 0.000 0.452 436 I N 0.741 121.341 120.570 0.051 0.000 2.226 436 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 436 I C 2.429 178.575 176.117 0.050 0.000 1.100 436 I CA 0.610 61.950 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 0.554 121.145 120.570 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 0.155 119.962 119.800 0.012 0.000 2.046 438 Q HA -0.100 4.240 4.340 -0.000 0.000 0.200 438 Q C 2.221 178.221 176.000 0.000 0.000 0.975 438 Q CA 1.681 57.488 55.803 0.008 0.000 0.836 438 Q CB -0.704 28.042 28.738 0.013 0.000 0.896 438 Q HN 0.576 nan 8.270 nan 0.000 0.428 439 G N -0.274 108.524 108.800 -0.004 0.000 2.432 439 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.219 439 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.219 439 G C 1.495 176.380 174.900 -0.024 0.000 1.135 439 G CA 0.806 45.892 45.100 -0.023 0.000 0.767 439 G HN 0.278 nan 8.290 nan 0.000 0.550 440 V N 1.223 121.140 119.914 0.006 0.000 2.667 440 V HA 0.015 4.135 4.120 -0.000 0.000 0.252 440 V C 2.985 179.105 176.094 0.043 0.000 1.065 440 V CA 1.590 63.923 62.300 0.055 0.000 1.083 440 V CB -0.387 31.497 31.823 0.102 0.000 0.692 440 V HN 0.424 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 -0.001 0.000 0.776 441 G HN 0.507 nan 8.290 nan 0.000 0.542 442 I N 0.284 120.850 120.570 -0.007 0.000 2.252 442 I HA -0.147 4.023 4.170 -0.000 0.000 0.245 442 I C 2.782 178.893 176.117 -0.009 0.000 1.102 442 I CA 0.318 61.611 61.300 -0.013 0.000 1.385 442 I CB -0.417 37.570 38.000 -0.022 0.000 1.064 442 I HN 0.154 nan 8.210 nan 0.000 0.414 443 C N 0.594 119.890 119.300 -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 -0.926 26.833 27.740 0.031 0.000 2.042 443 C HN 0.428 nan 8.230 nan 0.000 0.468 444 L N 0.639 121.897 121.223 0.059 0.000 2.131 444 L HA -0.089 4.251 4.340 -0.000 0.000 0.210 444 L C 2.286 179.161 176.870 0.008 0.000 1.092 444 L CA 1.738 56.595 54.840 0.029 0.000 0.759 444 L CB -0.615 41.445 42.059 0.002 0.000 0.903 444 L HN 0.316 nan 8.230 nan 0.000 0.435 445 K N -1.054 119.347 120.400 0.003 0.000 2.487 445 K HA 0.084 4.404 4.320 -0.000 0.000 0.192 445 K C 1.573 178.172 176.600 -0.002 0.000 1.027 445 K CA 0.166 56.451 56.287 -0.004 0.000 1.054 445 K CB 0.146 32.640 32.500 -0.010 0.000 0.824 445 K HN 0.274 nan 8.250 nan 0.000 0.510 446 L N 0.557 121.781 121.223 0.002 0.000 2.567 446 L HA 0.068 4.408 4.340 -0.000 0.000 0.225 446 L C -0.308 176.564 176.870 0.004 0.000 1.119 446 L CA -0.047 54.793 54.840 -0.001 0.000 0.871 446 L CB -0.005 42.050 42.059 -0.007 0.000 1.036 446 L HN 0.254 nan 8.230 nan 0.000 0.459 447 N N 0.622 119.328 118.700 0.010 0.000 2.771 447 N HA -0.133 4.607 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 53.782 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 0.400 52.491 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 0.891 121.298 120.400 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 -0.492 55.760 56.287 -0.058 0.000 0.914 449 K CB 0.798 33.259 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 1.677 177.526 176.117 -0.446 0.000 1.133 450 I CA 1.686 62.802 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 1.126 116.514 115.700 -0.521 0.000 2.356 451 S HA -0.228 4.242 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 1.361 58.954 58.200 -1.012 0.000 1.005 451 S CB -1.130 61.842 63.200 -0.380 0.000 0.867 451 S HN 0.676 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 4.808 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 -0.069 53.843 54.000 -0.148 0.000 0.871 452 D CB -0.462 40.287 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 1.822 177.583 175.800 -0.065 0.000 1.107 453 F CA 0.547 58.461 58.000 -0.143 0.000 1.208 453 F CB -0.773 38.152 39.000 -0.125 0.000 1.033 453 F HN 0.020 nan 8.300 nan 0.000 0.478 454 Y N -1.149 119.259 120.300 0.181 0.000 2.639 454 Y HA 0.051 4.601 4.550 0.000 0.000 0.297 454 Y C 1.339 177.274 175.900 0.058 0.000 1.151 454 Y CA 0.598 58.760 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 -0.334 175.196 175.510 0.032 0.000 1.101 455 N CA 0.181 53.282 53.050 0.085 0.000 0.881 455 N CB 0.206 38.685 38.487 -0.013 0.000 0.969 455 N HN 0.210 nan 8.380 nan 0.000 0.459 456 T N 1.053 115.611 114.554 0.006 0.000 2.856 456 T HA 0.276 4.626 4.350 -0.000 0.000 0.292 456 T C 0.438 175.138 174.700 0.001 0.000 0.980 456 T CA -0.297 61.789 62.100 -0.025 0.000 1.091 456 T CB 1.671 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 1.414 177.529 176.117 -0.005 0.000 1.109 457 I CA -0.182 61.117 61.300 -0.002 0.000 1.412 457 I CB 0.445 38.441 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 -0.431 174.484 174.900 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 1.859 121.793 119.914 0.033 0.000 2.318 459 V HA 0.216 4.336 4.120 -0.000 0.000 0.271 459 V C -0.235 175.908 176.094 0.083 0.000 1.030 459 V CA -0.543 61.782 62.300 0.042 0.000 0.844 459 V CB 0.495 32.326 31.823 0.013 0.000 1.015 459 V HN 0.801 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 5.250 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 -1.883 54.146 56.048 -0.032 0.000 1.216 460 H CB 1.891 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 -0.666 62.128 63.100 -0.510 0.000 0.801 461 P CB 1.061 32.367 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 1.272 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 4.621 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 -0.666 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 2.900 125.703 122.820 -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 53.347 52.037 0.061 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 0.031 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 1.290 57.716 56.400 0.043 0.000 0.859 465 E CB -0.197 29.529 29.700 0.045 0.000 0.780 465 E HN 0.493 nan 8.360 nan 0.000 0.523 466 E N 1.166 121.411 120.200 0.076 0.000 2.204 466 E HA -0.118 4.232 4.350 -0.000 0.000 0.195 466 E C 1.826 178.542 176.600 0.194 0.000 0.990 466 E CA 0.886 57.361 56.400 0.125 0.000 0.821 466 E CB -0.179 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 -0.924 120.428 121.223 0.216 0.000 2.156 467 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 467 L C 1.746 178.792 176.870 0.294 0.000 1.095 467 L CA 0.706 55.712 54.840 0.277 0.000 0.770 467 L CB -0.097 42.159 42.059 0.327 0.000 0.914 467 L HN 0.195 nan 8.230 nan 0.000 0.439 468 C N -1.362 118.057 119.300 0.199 0.000 2.559 468 C HA 0.159 4.619 4.460 -0.000 0.000 0.300 468 C C 2.083 177.178 174.990 0.176 0.000 1.288 468 C CA -0.085 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 0.327 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 0.466 175.135 174.600 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 2.009 121.719 119.600 0.182 0.000 2.289 470 M HA 0.357 4.837 4.480 -0.000 0.000 0.354 470 M C 1.123 177.581 176.300 0.264 0.000 1.210 470 M CA -0.353 55.077 55.300 0.218 0.000 1.174 470 M CB 0.783 33.528 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 -0.011 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 3.081 117.632 114.554 -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 -1.749 60.286 62.100 -0.108 0.000 1.107 472 T CB 1.175 69.991 68.868 -0.087 0.000 0.916 472 T HN 0.044 nan 8.240 nan 0.000 0.517 473 P HA 0.161 nan 4.420 nan 0.000 0.271 473 P C 0.097 177.005 177.300 -0.653 0.000 1.233 473 P CA -0.143 62.255 63.100 -1.170 0.000 0.795 473 P CB 0.436 31.461 31.700 -1.124 0.000 0.936 474 S N -1.481 113.837 115.700 -0.637 0.000 2.613 474 S HA 0.222 4.692 4.470 -0.000 0.000 0.235 474 S C -0.329 174.210 174.600 -0.101 0.000 1.073 474 S CA 0.235 58.278 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 -1.629 118.409 120.300 -0.436 0.000 2.818 475 Y HA 0.720 5.270 4.550 -0.000 0.000 0.341 475 Y C -1.691 173.854 175.900 -0.593 0.000 1.283 475 Y CA -2.131 55.750 58.100 -0.364 0.000 1.075 475 Y CB 0.351 38.694 38.460 -0.195 0.000 1.370 475 Y HN -0.076 nan 8.280 nan 0.000 0.448 476 Y N -0.925 119.342 120.300 -0.056 0.000 2.662 476 Y HA 0.690 5.240 4.550 -0.000 0.000 0.335 476 Y C -1.438 174.391 175.900 -0.119 0.000 1.066 476 Y CA -1.649 56.387 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 0.102 120.534 120.300 0.220 0.000 2.402 477 Y HA 0.458 5.008 4.550 0.000 0.000 0.325 477 Y C -0.719 175.274 175.900 0.155 0.000 1.009 477 Y CA -1.043 57.161 58.100 0.173 0.000 1.278 477 Y CB 1.450 39.993 38.460 0.139 0.000 1.105 477 Y HN 0.255 nan 8.280 nan 0.000 0.476 478 V N 4.272 124.311 119.914 0.207 0.000 2.169 478 V HA 0.219 4.339 4.120 -0.000 0.000 0.271 478 V C 0.295 176.473 176.094 0.140 0.000 1.372 478 V CA -0.545 61.847 62.300 0.153 0.000 1.348 478 V CB -0.198 31.671 31.823 0.077 0.000 1.379 478 V HN 0.883 nan 8.190 nan 0.000 0.491 479 K N 0.901 121.410 120.400 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 58.231 56.287 0.163 0.000 1.904 479 K CB -1.671 30.891 32.500 0.102 0.000 0.786 479 K HN 0.891 nan 8.250 nan 0.000 0.639 480 G N 0.556 109.462 108.800 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 44.828 45.100 0.169 0.000 0.962 480 G HN 0.212 nan 8.290 nan 0.000 0.486 481 E N 0.253 120.363 120.200 -0.149 0.000 2.366 481 E HA 0.197 4.547 4.350 -0.000 0.000 0.266 481 E C -0.636 175.826 176.600 -0.230 0.000 1.015 481 E CA 0.366 56.417 56.400 -0.581 0.000 0.906 481 E CB 0.305 29.618 29.700 -0.646 0.000 0.979 481 E HN 0.224 nan 8.360 nan 0.000 0.443 482 K N 5.075 125.390 120.400 -0.141 0.000 2.687 482 K HA 0.141 4.461 4.320 -0.000 0.000 0.249 482 K C -0.795 175.866 176.600 0.101 0.000 0.994 482 K CA -0.859 55.419 56.287 -0.015 0.000 0.913 482 K CB 1.208 33.715 32.500 0.012 0.000 1.202 482 K HN 0.481 nan 8.250 nan 0.000 0.460 483 M N 4.279 123.922 119.600 0.072 0.000 2.922 483 M HA 0.039 4.519 4.480 -0.000 0.000 0.294 483 M C 0.241 176.618 176.300 0.128 0.000 1.556 483 M CA 0.460 55.852 55.300 0.154 0.000 1.568 483 M CB -1.094 31.549 32.600 0.072 0.000 1.462 483 M HN 0.548 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