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 1nlm_1_A DATA FIRST_RESID 7 DATA SEQUENCE KRLMVMAGGT GGHVFPGLAV AHHLMAQGWQ VRWLGTADRM EADLVPKHGI DATA SEQUENCE EIDFIRISGL RGKGIKALIA APLRIFNAWR QARAIMKAYK PDVVLGMGGY DATA SEQUENCE VSGPGGLAAW SLGIPVVLHE QNGIAGLTNK WLAKIATKVM QAFPGAFPNA DATA SEQUENCE EVVGNPVRTD VLALPLPQQR LAGREGPVRV LVVGGSQGAR ILNQTMPQVA DATA SEQUENCE AKLGDSVTIW HQSGKGSQQS VEQAYAEAGQ PQHKVTEFID DMAAAYAWAD DATA SEQUENCE VVVCRSGALT VSEIAAAGLP ALFVPFQHKD RQQYWNALPL EKAGAAKIIE DATA SEQUENCE QPQLSVDAVA NTLAGWSRET LLTMAERARA ASIPDATERV ANEVSRVARA 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 7 K HA 0.000 nan 4.320 nan 0.000 0.191 7 K C 0.000 176.325 176.600 -0.459 0.000 0.988 7 K CA 0.000 55.907 56.287 -0.634 0.000 0.838 7 K CB 0.000 31.742 32.500 -1.264 0.000 1.064 8 R N 1.671 122.040 120.500 -0.218 0.000 2.711 8 R HA 0.737 5.078 4.340 0.000 0.000 0.284 8 R C -0.547 175.944 176.300 0.318 0.000 0.968 8 R CA -1.222 54.913 56.100 0.058 0.000 0.924 8 R CB 1.748 31.904 30.300 -0.240 0.000 1.162 8 R HN 0.413 nan 8.270 nan 0.000 0.465 9 L N 1.800 123.322 121.223 0.499 0.000 2.422 9 L HA 0.573 4.913 4.340 0.000 0.000 0.264 9 L C -1.341 175.695 176.870 0.276 0.000 0.984 9 L CA -0.710 54.361 54.840 0.385 0.000 0.819 9 L CB 2.357 44.575 42.059 0.265 0.000 1.330 9 L HN 0.768 nan 8.230 nan 0.000 0.410 10 M N 4.977 124.655 119.600 0.131 0.000 2.134 10 M HA 0.583 5.064 4.480 0.000 0.000 0.310 10 M C -1.702 174.460 176.300 -0.230 0.000 0.966 10 M CA -0.609 54.672 55.300 -0.031 0.000 0.922 10 M CB 1.490 34.112 32.600 0.036 0.000 1.537 10 M HN 0.432 nan 8.290 nan 0.000 0.424 11 V N 6.622 126.256 119.914 -0.466 0.000 2.498 11 V HA 0.370 4.491 4.120 0.000 0.000 0.279 11 V C -0.027 175.528 176.094 -0.898 0.000 1.048 11 V CA -0.144 61.701 62.300 -0.759 0.000 0.967 11 V CB 1.415 32.497 31.823 -1.234 0.000 0.988 11 V HN 0.897 nan 8.190 nan 0.000 0.473 12 M N 5.303 124.541 119.600 -0.603 0.000 2.036 12 M HA 0.757 5.237 4.480 0.000 0.000 0.337 12 M C -0.369 175.727 176.300 -0.339 0.000 1.012 12 M CA -0.151 54.895 55.300 -0.424 0.000 0.962 12 M CB 1.540 33.984 32.600 -0.260 0.000 1.423 12 M HN 0.716 nan 8.290 nan 0.000 0.405 13 A N 2.312 125.007 122.820 -0.208 0.000 2.594 13 A HA 0.976 5.297 4.320 0.000 0.000 0.296 13 A C -0.737 177.023 177.584 0.295 0.000 1.061 13 A CA -0.358 51.693 52.037 0.024 0.000 0.689 13 A CB 1.640 20.680 19.000 0.067 0.000 1.280 13 A HN 0.924 nan 8.150 nan 0.000 0.406 14 G N -1.168 107.754 108.800 0.204 0.000 2.430 14 G HA2 0.727 4.687 3.960 0.000 0.000 0.300 14 G HA3 0.727 4.687 3.960 0.000 0.000 0.300 14 G C 0.670 175.685 174.900 0.191 0.000 1.330 14 G CA 1.183 46.406 45.100 0.206 0.000 0.813 14 G HN 2.511 nan 8.290 nan 0.000 0.487 15 G N -1.399 107.489 108.800 0.147 0.000 3.329 15 G HA2 0.108 4.069 3.960 0.000 0.000 0.220 15 G HA3 0.108 4.069 3.960 0.000 0.000 0.220 15 G C 0.797 175.752 174.900 0.092 0.000 1.358 15 G CA 1.468 46.658 45.100 0.150 0.000 0.856 15 G HN 2.526 nan 8.290 nan 0.000 0.551 16 T N -2.281 112.325 114.554 0.086 0.000 2.883 16 T HA 0.648 4.998 4.350 0.000 0.000 0.296 16 T C 1.279 175.917 174.700 -0.105 0.000 1.117 16 T CA 0.396 62.486 62.100 -0.016 0.000 1.006 16 T CB 1.529 70.367 68.868 -0.049 0.000 1.191 16 T HN 1.416 nan 8.240 nan 0.000 0.508 17 G N -0.192 108.519 108.800 -0.148 0.000 2.471 17 G HA2 0.154 4.115 3.960 0.000 0.000 0.219 17 G HA3 0.154 4.115 3.960 0.000 0.000 0.219 17 G C 1.426 176.303 174.900 -0.038 0.000 1.125 17 G CA 0.511 45.403 45.100 -0.347 0.000 0.775 17 G HN 1.077 nan 8.290 nan 0.000 0.548 18 G N 0.052 108.828 108.800 -0.040 0.000 2.442 18 G HA2 -0.188 3.772 3.960 0.000 0.000 0.219 18 G HA3 -0.188 3.772 3.960 0.000 0.000 0.219 18 G C 1.490 176.341 174.900 -0.081 0.000 1.141 18 G CA 1.163 46.216 45.100 -0.077 0.000 0.763 18 G HN 0.629 nan 8.290 nan 0.000 0.554 19 H N -1.432 117.659 119.070 0.036 0.000 2.451 19 H HA 0.185 4.741 4.556 0.000 0.000 0.294 19 H C 2.646 178.006 175.328 0.054 0.000 1.028 19 H CA 0.277 56.350 56.048 0.041 0.000 1.349 19 H CB 0.453 30.229 29.762 0.022 0.000 1.444 19 H HN 0.203 nan 8.280 nan 0.000 0.538 20 V N 0.587 120.544 119.914 0.071 0.000 2.323 20 V HA -0.212 3.908 4.120 0.000 0.000 0.244 20 V C 1.774 177.844 176.094 -0.041 0.000 1.041 20 V CA 1.589 63.884 62.300 -0.008 0.000 1.025 20 V CB -0.517 31.100 31.823 -0.342 0.000 0.656 20 V HN 0.264 nan 8.190 nan 0.000 0.451 21 F N 0.265 120.253 119.950 0.063 0.000 2.102 21 F HA -0.036 4.491 4.527 -0.000 0.000 0.298 21 F C 0.121 175.944 175.800 0.039 0.000 1.105 21 F CA 1.253 59.270 58.000 0.028 0.000 1.239 21 F CB -2.456 36.565 39.000 0.034 0.000 0.991 21 F HN 0.288 nan 8.300 nan 0.000 0.474 22 P HA -0.065 nan 4.420 nan 0.000 0.220 22 P C 1.807 179.131 177.300 0.041 0.000 1.148 22 P CA 1.763 64.916 63.100 0.088 0.000 0.803 22 P CB -0.308 31.428 31.700 0.061 0.000 0.782 23 G N -0.166 108.702 108.800 0.114 0.000 2.394 23 G HA2 -0.190 3.771 3.960 0.000 0.000 0.214 23 G HA3 -0.190 3.771 3.960 0.000 0.000 0.214 23 G C 1.474 176.483 174.900 0.181 0.000 1.176 23 G CA 0.358 45.519 45.100 0.102 0.000 0.786 23 G HN 0.207 nan 8.290 nan 0.000 0.533 24 L N 0.812 122.186 121.223 0.252 0.000 2.079 24 L HA -0.091 4.250 4.340 0.000 0.000 0.210 24 L C 3.401 180.260 176.870 -0.019 0.000 1.081 24 L CA 1.000 55.843 54.840 0.005 0.000 0.752 24 L CB -0.322 41.563 42.059 -0.289 0.000 0.896 24 L HN 0.316 nan 8.230 nan 0.000 0.433 25 A N -0.461 122.409 122.820 0.083 0.000 1.858 25 A HA -0.166 4.154 4.320 0.000 0.000 0.216 25 A C 2.313 179.934 177.584 0.062 0.000 1.190 25 A CA 1.906 54.010 52.037 0.111 0.000 0.617 25 A CB -0.887 18.158 19.000 0.075 0.000 0.827 25 A HN 0.179 nan 8.150 nan 0.000 0.443 26 V N -0.144 119.750 119.914 -0.034 0.000 2.407 26 V HA -0.223 3.898 4.120 0.000 0.000 0.248 26 V C 2.998 179.057 176.094 -0.059 0.000 1.055 26 V CA 1.799 64.038 62.300 -0.101 0.000 1.049 26 V CB -1.223 30.481 31.823 -0.198 0.000 0.662 26 V HN 0.645 nan 8.190 nan 0.000 0.455 27 A N -0.629 122.154 122.820 -0.062 0.000 1.828 27 A HA -0.270 4.051 4.320 0.000 0.000 0.215 27 A C 2.113 179.711 177.584 0.023 0.000 1.203 27 A CA 1.959 53.958 52.037 -0.063 0.000 0.614 27 A CB -1.011 17.964 19.000 -0.042 0.000 0.844 27 A HN 0.605 nan 8.150 nan 0.000 0.445 28 H N -0.872 118.263 119.070 0.108 0.000 2.400 28 H HA -0.208 4.348 4.556 0.000 0.000 0.295 28 H C 2.048 177.425 175.328 0.082 0.000 1.118 28 H CA 1.852 57.964 56.048 0.107 0.000 1.256 28 H CB -0.658 29.179 29.762 0.125 0.000 1.365 28 H HN 0.743 nan 8.280 nan 0.000 0.502 29 H N 0.771 119.910 119.070 0.115 0.000 2.353 29 H HA -0.069 4.487 4.556 0.000 0.000 0.300 29 H C 2.296 177.621 175.328 -0.005 0.000 1.090 29 H CA 1.298 57.368 56.048 0.036 0.000 1.327 29 H CB -0.110 29.641 29.762 -0.018 0.000 1.383 29 H HN 0.269 nan 8.280 nan 0.000 0.508 30 L N -0.179 121.077 121.223 0.055 0.000 2.240 30 L HA -0.083 4.257 4.340 0.000 0.000 0.211 30 L C 2.892 179.811 176.870 0.082 0.000 1.106 30 L CA 0.351 55.137 54.840 -0.090 0.000 0.793 30 L CB -0.191 41.559 42.059 -0.515 0.000 0.927 30 L HN 0.225 nan 8.230 nan 0.000 0.446 31 M N -0.527 119.143 119.600 0.117 0.000 2.213 31 M HA -0.155 4.325 4.480 0.000 0.000 0.263 31 M C 2.350 178.731 176.300 0.135 0.000 1.062 31 M CA 1.711 57.117 55.300 0.176 0.000 1.105 31 M CB -0.368 32.347 32.600 0.191 0.000 1.385 31 M HN 0.293 nan 8.290 nan 0.000 0.417 32 A N -0.465 122.399 122.820 0.073 0.000 2.119 32 A HA -0.117 4.203 4.320 0.000 0.000 0.217 32 A C 1.844 179.444 177.584 0.026 0.000 1.153 32 A CA 1.064 53.115 52.037 0.022 0.000 0.692 32 A CB -0.399 18.571 19.000 -0.050 0.000 0.799 32 A HN 0.561 nan 8.150 nan 0.000 0.458 33 Q N -1.801 118.044 119.800 0.075 0.000 2.319 33 Q HA 0.260 4.600 4.340 0.000 0.000 0.202 33 Q C 1.044 177.170 176.000 0.210 0.000 0.896 33 Q CA 0.378 56.264 55.803 0.138 0.000 0.942 33 Q CB 0.379 29.234 28.738 0.196 0.000 1.083 33 Q HN 0.822 nan 8.270 nan 0.000 0.510 34 G N 0.096 109.016 108.800 0.200 0.000 2.179 34 G HA2 -0.198 3.762 3.960 0.000 0.000 0.220 34 G HA3 -0.198 3.762 3.960 0.000 0.000 0.220 34 G C -0.400 174.609 174.900 0.183 0.000 0.990 34 G CA -0.503 44.686 45.100 0.148 0.000 0.646 34 G HN 0.193 nan 8.290 nan 0.000 0.517 35 W N 1.298 122.619 121.300 0.036 0.000 2.126 35 W HA 0.599 5.259 4.660 0.000 0.000 0.346 35 W C 0.965 177.523 176.519 0.065 0.000 1.279 35 W CA 0.051 57.424 57.345 0.046 0.000 1.259 35 W CB 0.410 29.899 29.460 0.048 0.000 1.133 35 W HN 0.136 nan 8.180 nan 0.000 0.592 36 Q N 1.296 121.297 119.800 0.336 0.000 2.347 36 Q HA 0.452 4.792 4.340 0.000 0.000 0.262 36 Q C -0.986 175.228 176.000 0.358 0.000 0.980 36 Q CA -0.645 55.326 55.803 0.279 0.000 0.867 36 Q CB 1.685 30.560 28.738 0.228 0.000 1.242 36 Q HN 0.145 nan 8.270 nan 0.000 0.453 37 V N 3.102 123.171 119.914 0.258 0.000 2.513 37 V HA 0.558 4.678 4.120 0.000 0.000 0.299 37 V C -0.250 175.888 176.094 0.074 0.000 1.035 37 V CA -0.726 61.685 62.300 0.185 0.000 0.889 37 V CB 1.927 33.823 31.823 0.121 0.000 0.988 37 V HN 0.658 nan 8.190 nan 0.000 0.440 38 R N 2.502 122.970 120.500 -0.054 0.000 2.744 38 R HA 0.437 4.777 4.340 0.000 0.000 0.279 38 R C -1.790 174.438 176.300 -0.120 0.000 0.977 38 R CA -0.620 55.344 56.100 -0.226 0.000 0.906 38 R CB 2.021 31.823 30.300 -0.830 0.000 1.197 38 R HN 0.748 nan 8.270 nan 0.000 0.463 39 W N 5.680 126.831 121.300 -0.248 0.000 2.627 39 W HA 0.432 5.093 4.660 0.002 0.000 0.339 39 W C -1.588 174.780 176.519 -0.251 0.000 1.058 39 W CA -0.811 56.402 57.345 -0.220 0.000 1.223 39 W CB 1.580 30.912 29.460 -0.213 0.000 1.389 39 W HN 0.342 nan 8.180 nan 0.000 0.541 40 L N 5.291 126.444 121.223 -0.116 0.000 2.345 40 L HA 0.611 4.952 4.340 0.000 0.000 0.274 40 L C -0.011 176.916 176.870 0.094 0.000 0.999 40 L CA -0.005 54.801 54.840 -0.056 0.000 0.849 40 L CB 0.666 42.660 42.059 -0.108 0.000 1.220 40 L HN 0.546 nan 8.230 nan 0.000 0.422 41 G N 1.781 110.638 108.800 0.095 0.000 3.135 41 G HA2 0.618 4.578 3.960 0.000 0.000 0.278 41 G HA3 0.618 4.578 3.960 0.000 0.000 0.278 41 G C -0.990 174.077 174.900 0.278 0.000 1.302 41 G CA -0.212 45.008 45.100 0.200 0.000 0.880 41 G HN 0.429 nan 8.290 nan 0.000 0.574 42 T N -2.897 111.885 114.554 0.379 0.000 2.841 42 T HA 0.609 4.960 4.350 0.000 0.000 0.283 42 T C 1.214 176.145 174.700 0.384 0.000 1.000 42 T CA 0.588 62.924 62.100 0.394 0.000 0.977 42 T CB 1.730 70.721 68.868 0.205 0.000 0.979 42 T HN 1.185 nan 8.240 nan 0.000 0.446 43 A N 2.539 125.393 122.820 0.057 0.000 1.902 43 A HA -0.057 4.263 4.320 0.000 0.000 0.217 43 A C 1.787 179.263 177.584 -0.179 0.000 1.181 43 A CA 1.674 53.427 52.037 -0.474 0.000 0.623 43 A CB -0.874 17.712 19.000 -0.691 0.000 0.818 43 A HN 0.973 nan 8.150 nan 0.000 0.443 44 D N -0.998 119.356 120.400 -0.076 0.000 2.332 44 D HA 0.029 4.669 4.640 0.000 0.000 0.244 44 D C 0.516 176.813 176.300 -0.005 0.000 1.136 44 D CA 0.152 54.126 54.000 -0.043 0.000 0.884 44 D CB -0.088 40.695 40.800 -0.027 0.000 0.906 44 D HN 0.152 nan 8.370 nan 0.000 0.520 45 R N -0.388 120.125 120.500 0.022 0.000 2.855 45 R HA 0.258 4.598 4.340 0.000 0.000 0.266 45 R C 1.204 177.521 176.300 0.029 0.000 1.034 45 R CA -0.832 55.291 56.100 0.037 0.000 0.944 45 R CB 0.799 31.143 30.300 0.073 0.000 1.219 45 R HN -0.013 nan 8.270 nan 0.000 0.474 46 M N 1.729 121.332 119.600 0.006 0.000 2.124 46 M HA -0.270 4.211 4.480 0.000 0.000 0.253 46 M C 1.600 177.862 176.300 -0.064 0.000 1.077 46 M CA 2.353 57.632 55.300 -0.034 0.000 1.085 46 M CB -0.159 32.402 32.600 -0.065 0.000 1.320 46 M HN 0.578 nan 8.290 nan 0.000 0.404 47 E N 0.459 120.619 120.200 -0.067 0.000 2.265 47 E HA -0.167 4.183 4.350 0.000 0.000 0.196 47 E C 1.736 178.290 176.600 -0.077 0.000 0.996 47 E CA 1.407 57.700 56.400 -0.177 0.000 0.832 47 E CB -0.894 28.691 29.700 -0.192 0.000 0.756 47 E HN 0.668 nan 8.360 nan 0.000 0.491 48 A N 2.170 125.056 122.820 0.109 0.000 1.917 48 A HA -0.223 4.097 4.320 0.000 0.000 0.219 48 A C 1.834 179.485 177.584 0.112 0.000 1.182 48 A CA 2.035 54.221 52.037 0.248 0.000 0.633 48 A CB -0.329 18.724 19.000 0.088 0.000 0.819 48 A HN 0.276 nan 8.150 nan 0.000 0.448 49 D N -1.090 119.323 120.400 0.023 0.000 2.262 49 D HA 0.010 4.650 4.640 0.000 0.000 0.212 49 D C 1.860 178.158 176.300 -0.003 0.000 0.964 49 D CA 0.660 54.665 54.000 0.009 0.000 0.875 49 D CB -0.275 40.525 40.800 -0.001 0.000 0.996 49 D HN 0.339 nan 8.370 nan 0.000 0.497 50 L N 1.614 122.812 121.223 -0.041 0.000 2.005 50 L HA -0.102 4.239 4.340 0.000 0.000 0.207 50 L C 2.292 179.157 176.870 -0.009 0.000 1.072 50 L CA 1.376 56.205 54.840 -0.018 0.000 0.744 50 L CB -0.728 41.269 42.059 -0.104 0.000 0.895 50 L HN -0.191 nan 8.230 nan 0.000 0.433 51 V N 0.693 120.449 119.914 -0.262 0.000 2.282 51 V HA -0.238 3.882 4.120 0.000 0.000 0.249 51 V C 0.021 176.069 176.094 -0.077 0.000 1.057 51 V CA 2.384 64.460 62.300 -0.373 0.000 1.032 51 V CB -2.054 29.322 31.823 -0.745 0.000 0.645 51 V HN 0.342 nan 8.190 nan 0.000 0.447 52 P HA -0.192 nan 4.420 nan 0.000 0.216 52 P C 1.405 178.729 177.300 0.040 0.000 1.157 52 P CA 1.501 64.611 63.100 0.016 0.000 0.880 52 P CB -0.141 31.577 31.700 0.031 0.000 0.791 53 K N -1.624 118.799 120.400 0.038 0.000 2.585 53 K HA -0.126 4.194 4.320 0.000 0.000 0.194 53 K C 1.226 177.762 176.600 -0.108 0.000 1.037 53 K CA 0.726 57.000 56.287 -0.021 0.000 0.964 53 K CB -0.420 32.059 32.500 -0.034 0.000 0.787 53 K HN 0.441 nan 8.250 nan 0.000 0.488 54 H N -0.995 118.100 119.070 0.042 0.000 2.672 54 H HA 0.113 4.670 4.556 0.001 0.000 0.277 54 H C 0.823 176.253 175.328 0.170 0.000 1.074 54 H CA 0.475 56.612 56.048 0.148 0.000 1.173 54 H CB 1.131 30.975 29.762 0.137 0.000 1.558 54 H HN 0.361 nan 8.280 nan 0.000 0.539 55 G N 1.943 110.834 108.800 0.153 0.000 2.221 55 G HA2 -0.264 3.696 3.960 0.000 0.000 0.265 55 G HA3 -0.264 3.696 3.960 0.000 0.000 0.265 55 G C 0.002 174.976 174.900 0.123 0.000 1.041 55 G CA 0.208 45.381 45.100 0.121 0.000 0.807 55 G HN 0.349 nan 8.290 nan 0.000 0.502 56 I N 0.278 120.907 120.570 0.099 0.000 2.418 56 I HA 0.331 4.501 4.170 0.000 0.000 0.287 56 I C 0.074 176.212 176.117 0.034 0.000 1.008 56 I CA -1.112 60.236 61.300 0.081 0.000 1.104 56 I CB 1.561 39.622 38.000 0.102 0.000 1.264 56 I HN 0.083 nan 8.210 nan 0.000 0.438 57 E N 5.933 126.144 120.200 0.019 0.000 2.404 57 E HA 0.391 4.741 4.350 0.000 0.000 0.261 57 E C -0.509 176.056 176.600 -0.058 0.000 1.074 57 E CA -0.025 56.361 56.400 -0.022 0.000 0.917 57 E CB 1.364 31.041 29.700 -0.038 0.000 0.965 57 E HN 0.473 nan 8.360 nan 0.000 0.433 58 I N 1.115 121.606 120.570 -0.133 0.000 2.548 58 I HA 0.238 4.409 4.170 0.000 0.000 0.287 58 I C -1.485 174.337 176.117 -0.493 0.000 1.103 58 I CA -0.702 60.431 61.300 -0.279 0.000 1.049 58 I CB 1.292 39.053 38.000 -0.399 0.000 1.232 58 I HN 0.361 nan 8.210 nan 0.000 0.429 59 D N 7.305 127.476 120.400 -0.380 0.000 2.210 59 D HA 0.392 5.033 4.640 0.000 0.000 0.249 59 D C -0.961 175.103 176.300 -0.394 0.000 1.062 59 D CA 0.335 54.172 54.000 -0.273 0.000 0.891 59 D CB 1.670 42.405 40.800 -0.108 0.000 1.186 59 D HN 0.224 nan 8.370 nan 0.000 0.432 60 F N 0.974 120.958 119.950 0.056 0.000 2.541 60 F HA 0.568 5.095 4.527 0.000 0.000 0.331 60 F C 0.673 176.511 175.800 0.063 0.000 1.057 60 F CA -0.999 57.038 58.000 0.062 0.000 0.975 60 F CB 1.393 40.422 39.000 0.048 0.000 1.246 60 F HN 0.185 nan 8.300 nan 0.000 0.484 61 I N -1.373 119.365 120.570 0.280 0.000 3.102 61 I HA 0.622 4.792 4.170 0.000 0.000 0.310 61 I C -1.480 174.737 176.117 0.167 0.000 1.246 61 I CA -1.170 60.242 61.300 0.186 0.000 0.979 61 I CB 2.554 40.646 38.000 0.154 0.000 1.267 61 I HN 0.544 nan 8.210 nan 0.000 0.451 62 R N 3.369 123.946 120.500 0.129 0.000 2.393 62 R HA 0.662 5.002 4.340 0.000 0.000 0.310 62 R C -0.431 175.930 176.300 0.101 0.000 0.968 62 R CA -0.659 55.501 56.100 0.100 0.000 0.867 62 R CB 1.470 31.814 30.300 0.073 0.000 1.124 62 R HN 0.874 nan 8.270 nan 0.000 0.450 63 I N 1.494 122.117 120.570 0.089 0.000 3.176 63 I HA 0.197 4.368 4.170 0.000 0.000 0.339 63 I C 1.027 177.168 176.117 0.040 0.000 1.505 63 I CA -0.633 60.719 61.300 0.087 0.000 0.969 63 I CB 0.819 38.889 38.000 0.116 0.000 1.636 63 I HN 0.560 nan 8.210 nan 0.000 0.523 64 S N 2.367 118.085 115.700 0.031 0.000 2.504 64 S HA -0.267 4.203 4.470 0.000 0.000 0.276 64 S C 1.725 176.314 174.600 -0.019 0.000 1.065 64 S CA 1.601 59.803 58.200 0.004 0.000 1.500 64 S CB -1.641 61.566 63.200 0.012 0.000 1.295 64 S HN 0.659 nan 8.310 nan 0.000 0.432 65 G N 0.238 109.032 108.800 -0.009 0.000 3.318 65 G HA2 0.381 4.341 3.960 0.000 0.000 0.230 65 G HA3 0.381 4.341 3.960 0.000 0.000 0.230 65 G C 0.633 175.520 174.900 -0.022 0.000 1.317 65 G CA 0.138 45.225 45.100 -0.021 0.000 1.197 65 G HN 0.444 nan 8.290 nan 0.000 0.514 66 L N -0.793 120.413 121.223 -0.028 0.000 2.642 66 L HA 0.424 4.764 4.340 0.000 0.000 0.233 66 L C 1.522 178.324 176.870 -0.112 0.000 1.077 66 L CA -0.091 54.750 54.840 0.001 0.000 0.879 66 L CB 0.188 42.293 42.059 0.077 0.000 1.151 66 L HN 0.048 nan 8.230 nan 0.000 0.495 67 R N 0.452 120.778 120.500 -0.291 0.000 2.537 67 R HA 0.389 4.730 4.340 0.000 0.000 0.280 67 R C 0.569 176.606 176.300 -0.438 0.000 1.058 67 R CA 0.552 56.229 56.100 -0.705 0.000 1.057 67 R CB -0.240 29.778 30.300 -0.469 0.000 0.973 67 R HN 0.330 nan 8.270 nan 0.000 0.438 68 G N 2.542 111.051 108.800 -0.485 0.000 2.370 68 G HA2 -0.269 3.691 3.960 0.000 0.000 0.295 68 G HA3 -0.269 3.691 3.960 0.000 0.000 0.295 68 G C -0.611 174.348 174.900 0.099 0.000 1.045 68 G CA -0.003 45.107 45.100 0.016 0.000 1.199 68 G HN 0.361 nan 8.290 nan 0.000 0.513 69 K N 0.095 120.638 120.400 0.238 0.000 2.413 69 K HA 0.628 4.948 4.320 0.000 0.000 0.257 69 K C 0.953 177.653 176.600 0.166 0.000 0.946 69 K CA -0.017 56.367 56.287 0.161 0.000 0.823 69 K CB 1.635 34.223 32.500 0.146 0.000 1.109 69 K HN 0.407 nan 8.250 nan 0.000 0.427 70 G N 3.316 112.175 108.800 0.099 0.000 3.424 70 G HA2 0.148 4.108 3.960 0.000 0.000 0.263 70 G HA3 0.148 4.108 3.960 0.000 0.000 0.263 70 G C 0.739 175.668 174.900 0.049 0.000 1.310 70 G CA -0.067 45.084 45.100 0.085 0.000 1.089 70 G HN 0.853 nan 8.290 nan 0.000 0.534 71 I N -1.570 119.014 120.570 0.022 0.000 4.172 71 I HA -0.417 3.753 4.170 0.000 0.000 0.099 71 I C 2.171 178.242 176.117 -0.075 0.000 0.511 71 I CA 1.972 63.235 61.300 -0.061 0.000 1.179 71 I CB -0.672 37.328 38.000 0.000 0.000 1.046 71 I HN 0.362 nan 8.210 nan 0.000 0.184 72 K N 1.511 121.893 120.400 -0.030 0.000 2.365 72 K HA 0.161 4.482 4.320 0.000 0.000 0.199 72 K C 1.779 178.355 176.600 -0.040 0.000 1.045 72 K CA 1.457 57.725 56.287 -0.031 0.000 0.962 72 K CB -0.063 32.431 32.500 -0.010 0.000 0.759 72 K HN 0.554 nan 8.250 nan 0.000 0.469 73 A N -0.021 122.776 122.820 -0.037 0.000 1.975 73 A HA 0.031 4.351 4.320 0.000 0.000 0.215 73 A C 1.674 179.212 177.584 -0.076 0.000 1.170 73 A CA 0.637 52.651 52.037 -0.040 0.000 0.656 73 A CB -0.223 18.768 19.000 -0.014 0.000 0.821 73 A HN 0.191 nan 8.150 nan 0.000 0.449 74 L N -0.656 120.499 121.223 -0.114 0.000 2.068 74 L HA -0.037 4.303 4.340 0.000 0.000 0.204 74 L C 2.378 179.148 176.870 -0.167 0.000 1.076 74 L CA 1.273 56.004 54.840 -0.181 0.000 0.753 74 L CB -1.380 40.485 42.059 -0.322 0.000 0.910 74 L HN 0.247 nan 8.230 nan 0.000 0.439 75 I N 0.779 121.262 120.570 -0.145 0.000 2.226 75 I HA -0.210 3.961 4.170 0.000 0.000 0.245 75 I C 2.724 178.797 176.117 -0.074 0.000 1.100 75 I CA 1.470 62.709 61.300 -0.101 0.000 1.374 75 I CB -0.841 37.114 38.000 -0.074 0.000 1.057 75 I HN 0.128 nan 8.210 nan 0.000 0.413 76 A N -0.124 122.656 122.820 -0.068 0.000 1.933 76 A HA 0.293 4.613 4.320 0.000 0.000 0.218 76 A C 1.424 178.968 177.584 -0.067 0.000 1.175 76 A CA 1.416 53.421 52.037 -0.053 0.000 0.628 76 A CB -0.583 18.392 19.000 -0.042 0.000 0.814 76 A HN 0.381 nan 8.150 nan 0.000 0.444 77 A N -1.216 121.548 122.820 -0.094 0.000 2.768 77 A HA 0.613 4.933 4.320 0.000 0.000 0.299 77 A C -2.105 175.360 177.584 -0.198 0.000 1.171 77 A CA -0.922 51.040 52.037 -0.126 0.000 0.759 77 A CB 0.720 19.658 19.000 -0.103 0.000 1.267 77 A HN 0.054 nan 8.150 nan 0.000 0.421 78 P HA -0.087 nan 4.420 nan 0.000 0.216 78 P C 1.489 178.273 177.300 -0.859 0.000 1.153 78 P CA 0.638 63.502 63.100 -0.393 0.000 0.844 78 P CB 0.077 31.636 31.700 -0.234 0.000 0.787 79 L N -0.221 120.397 121.223 -1.009 0.000 2.113 79 L HA -0.268 4.072 4.340 0.000 0.000 0.221 79 L C 2.361 178.925 176.870 -0.511 0.000 1.084 79 L CA 1.988 56.214 54.840 -1.024 0.000 0.787 79 L CB -1.584 40.252 42.059 -0.372 0.000 0.893 79 L HN -0.035 nan 8.230 nan 0.000 0.440 80 R N -0.787 119.542 120.500 -0.286 0.000 2.139 80 R HA -0.150 4.190 4.340 0.000 0.000 0.243 80 R C 2.351 178.650 176.300 -0.002 0.000 1.145 80 R CA 1.694 57.734 56.100 -0.100 0.000 0.976 80 R CB -0.540 29.715 30.300 -0.075 0.000 0.866 80 R HN 0.402 nan 8.270 nan 0.000 0.449 81 I N 0.163 120.733 120.570 -0.001 0.000 3.226 81 I HA -0.091 4.079 4.170 0.000 0.000 0.277 81 I C 1.391 177.788 176.117 0.467 0.000 1.243 81 I CA 0.389 61.811 61.300 0.203 0.000 1.459 81 I CB 0.105 38.215 38.000 0.183 0.000 1.093 81 I HN 0.139 nan 8.210 nan 0.000 0.453 82 F N 0.716 120.802 119.950 0.226 0.000 2.161 82 F HA -0.324 4.203 4.527 0.000 0.000 0.300 82 F C 2.321 178.219 175.800 0.163 0.000 1.089 82 F CA 1.196 59.315 58.000 0.198 0.000 1.282 82 F CB -0.489 38.555 39.000 0.073 0.000 1.010 82 F HN 0.302 nan 8.300 nan 0.000 0.485 83 N N 0.960 119.857 118.700 0.329 0.000 2.051 83 N HA -0.164 4.577 4.740 0.000 0.000 0.192 83 N C 1.844 177.493 175.510 0.232 0.000 1.049 83 N CA 1.770 54.951 53.050 0.217 0.000 0.845 83 N CB -0.504 38.076 38.487 0.155 0.000 1.031 83 N HN 0.108 nan 8.380 nan 0.000 0.425 84 A N -0.048 122.919 122.820 0.245 0.000 1.917 84 A HA -0.191 4.129 4.320 0.000 0.000 0.219 84 A C 2.114 179.889 177.584 0.319 0.000 1.182 84 A CA 1.636 53.817 52.037 0.240 0.000 0.633 84 A CB -1.483 17.647 19.000 0.217 0.000 0.819 84 A HN 0.711 nan 8.150 nan 0.000 0.448 85 W N 0.861 122.258 121.300 0.162 0.000 2.335 85 W HA -0.189 4.471 4.660 0.000 0.000 0.311 85 W C 2.344 178.925 176.519 0.103 0.000 1.213 85 W CA 1.909 59.346 57.345 0.153 0.000 1.274 85 W CB -0.791 28.779 29.460 0.184 0.000 1.148 85 W HN 0.368 nan 8.180 nan 0.000 0.498 86 R N 0.119 120.802 120.500 0.306 0.000 2.080 86 R HA -0.215 4.125 4.340 0.000 0.000 0.236 86 R C 2.602 178.991 176.300 0.148 0.000 1.137 86 R CA 2.625 58.796 56.100 0.119 0.000 0.943 86 R CB -0.738 29.597 30.300 0.058 0.000 0.846 86 R HN 0.267 nan 8.270 nan 0.000 0.431 87 Q N -0.665 119.232 119.800 0.162 0.000 2.096 87 Q HA -0.186 4.154 4.340 0.000 0.000 0.204 87 Q C 2.157 178.244 176.000 0.145 0.000 0.982 87 Q CA 1.632 57.517 55.803 0.138 0.000 0.850 87 Q CB -0.236 28.584 28.738 0.138 0.000 0.901 87 Q HN 0.435 nan 8.270 nan 0.000 0.422 88 A N 1.563 124.492 122.820 0.181 0.000 1.858 88 A HA -0.200 4.121 4.320 0.000 0.000 0.216 88 A C 2.067 179.748 177.584 0.162 0.000 1.190 88 A CA 1.369 53.502 52.037 0.160 0.000 0.617 88 A CB -0.512 18.588 19.000 0.166 0.000 0.827 88 A HN 0.211 nan 8.150 nan 0.000 0.443 89 R N -0.538 120.089 120.500 0.213 0.000 2.139 89 R HA -0.176 4.164 4.340 0.000 0.000 0.243 89 R C 2.405 178.772 176.300 0.112 0.000 1.145 89 R CA 1.233 57.436 56.100 0.173 0.000 0.976 89 R CB -0.474 29.927 30.300 0.168 0.000 0.866 89 R HN 0.562 nan 8.270 nan 0.000 0.449 90 A N 1.187 124.069 122.820 0.103 0.000 1.858 90 A HA -0.151 4.169 4.320 0.000 0.000 0.216 90 A C 2.133 179.769 177.584 0.087 0.000 1.190 90 A CA 1.257 53.342 52.037 0.080 0.000 0.617 90 A CB -0.503 18.542 19.000 0.075 0.000 0.827 90 A HN 0.181 nan 8.150 nan 0.000 0.443 91 I N -0.815 119.812 120.570 0.095 0.000 2.151 91 I HA -0.331 3.840 4.170 0.000 0.000 0.243 91 I C 2.609 178.805 176.117 0.132 0.000 1.080 91 I CA 1.894 63.252 61.300 0.097 0.000 1.339 91 I CB -0.315 37.730 38.000 0.075 0.000 1.039 91 I HN 0.322 nan 8.210 nan 0.000 0.409 92 M N -0.331 119.347 119.600 0.129 0.000 2.562 92 M HA -0.103 4.377 4.480 0.000 0.000 0.257 92 M C 2.051 178.410 176.300 0.098 0.000 1.099 92 M CA 1.138 56.521 55.300 0.139 0.000 1.099 92 M CB -0.100 32.572 32.600 0.119 0.000 1.427 92 M HN 0.071 nan 8.290 nan 0.000 0.489 93 K N 0.204 120.655 120.400 0.085 0.000 2.103 93 K HA -0.001 4.319 4.320 0.000 0.000 0.204 93 K C 1.995 178.628 176.600 0.055 0.000 1.052 93 K CA 1.288 57.608 56.287 0.055 0.000 0.945 93 K CB 0.029 32.558 32.500 0.048 0.000 0.722 93 K HN 0.283 nan 8.250 nan 0.000 0.443 94 A N -0.273 122.596 122.820 0.083 0.000 1.943 94 A HA -0.097 4.223 4.320 0.000 0.000 0.213 94 A C 1.756 179.419 177.584 0.131 0.000 1.181 94 A CA 0.730 52.821 52.037 0.091 0.000 0.653 94 A CB -0.330 18.727 19.000 0.095 0.000 0.833 94 A HN 0.385 nan 8.150 nan 0.000 0.451 95 Y N 0.229 120.541 120.300 0.021 0.000 2.500 95 Y HA 0.182 4.732 4.550 0.001 0.000 0.270 95 Y C 0.026 175.936 175.900 0.015 0.000 1.134 95 Y CA 0.112 58.223 58.100 0.019 0.000 1.293 95 Y CB 0.287 38.760 38.460 0.021 0.000 1.063 95 Y HN 0.155 nan 8.280 nan 0.000 0.534 96 K N 0.969 121.309 120.400 -0.100 0.000 4.075 96 K HA -0.187 4.133 4.320 0.000 0.000 0.278 96 K C -2.707 173.711 176.600 -0.303 0.000 0.862 96 K CA 0.452 56.641 56.287 -0.163 0.000 0.762 96 K CB -1.617 30.793 32.500 -0.150 0.000 1.660 96 K HN 0.361 nan 8.250 nan 0.000 0.437 97 P HA 0.117 nan 4.420 nan 0.000 0.274 97 P C 0.256 177.518 177.300 -0.064 0.000 1.231 97 P CA -0.259 62.760 63.100 -0.134 0.000 0.790 97 P CB 0.604 32.375 31.700 0.118 0.000 0.951 98 D N -0.298 120.083 120.400 -0.031 0.000 2.305 98 D HA 0.128 4.768 4.640 0.000 0.000 0.206 98 D C 0.137 176.472 176.300 0.059 0.000 0.974 98 D CA 0.791 54.785 54.000 -0.010 0.000 0.871 98 D CB 0.358 41.127 40.800 -0.052 0.000 0.947 98 D HN 0.065 nan 8.370 nan 0.000 0.516 99 V N 0.003 119.983 119.914 0.110 0.000 3.108 99 V HA 0.416 4.536 4.120 0.000 0.000 0.287 99 V C -1.838 174.302 176.094 0.075 0.000 1.436 99 V CA -1.004 61.355 62.300 0.099 0.000 1.001 99 V CB 2.025 33.934 31.823 0.142 0.000 1.141 99 V HN -0.109 nan 8.190 nan 0.000 0.443 100 V N 4.451 124.374 119.914 0.015 0.000 2.628 100 V HA 0.758 4.878 4.120 0.000 0.000 0.306 100 V C -1.006 175.027 176.094 -0.101 0.000 1.045 100 V CA -0.755 61.521 62.300 -0.039 0.000 0.905 100 V CB 1.832 33.630 31.823 -0.041 0.000 0.997 100 V HN 0.976 nan 8.190 nan 0.000 0.436 101 L N 4.777 125.900 121.223 -0.166 0.000 2.316 101 L HA 0.789 5.129 4.340 0.000 0.000 0.280 101 L C 0.224 176.947 176.870 -0.245 0.000 1.006 101 L CA 0.068 54.786 54.840 -0.203 0.000 0.836 101 L CB 0.834 42.751 42.059 -0.236 0.000 1.221 101 L HN 1.051 nan 8.230 nan 0.000 0.418 102 G N 5.412 114.081 108.800 -0.218 0.000 2.322 102 G HA2 0.421 4.381 3.960 0.000 0.000 0.309 102 G HA3 0.421 4.381 3.960 0.000 0.000 0.309 102 G C 0.380 175.158 174.900 -0.204 0.000 1.121 102 G CA -0.454 44.502 45.100 -0.240 0.000 0.886 102 G HN 0.637 nan 8.290 nan 0.000 0.447 103 M N 1.654 121.133 119.600 -0.201 0.000 2.371 103 M HA 0.270 4.751 4.480 0.000 0.000 0.246 103 M C 1.017 177.196 176.300 -0.202 0.000 1.103 103 M CA 0.211 55.453 55.300 -0.096 0.000 1.010 103 M CB -0.415 32.176 32.600 -0.015 0.000 1.457 103 M HN 0.957 nan 8.290 nan 0.000 0.486 104 G N 0.194 108.753 108.800 -0.402 0.000 2.612 104 G HA2 0.324 4.284 3.960 0.000 0.000 0.686 104 G HA3 0.324 4.284 3.960 0.000 0.000 0.686 104 G C -0.211 174.090 174.900 -0.999 0.000 1.274 104 G CA -0.209 44.471 45.100 -0.699 0.000 0.849 104 G HN 0.859 nan 8.290 nan 0.000 0.595 105 G N -1.512 106.795 108.800 -0.821 0.000 2.587 105 G HA2 0.260 4.220 3.960 0.000 0.000 0.686 105 G HA3 0.260 4.220 3.960 0.000 0.000 0.686 105 G C 0.375 175.093 174.900 -0.303 0.000 1.236 105 G CA 0.260 45.078 45.100 -0.470 0.000 0.820 105 G HN 1.776 nan 8.290 nan 0.000 0.645 106 Y N 0.133 120.425 120.300 -0.014 0.000 2.193 106 Y HA -0.093 4.458 4.550 0.000 0.000 0.285 106 Y C 3.071 178.988 175.900 0.029 0.000 1.166 106 Y CA 1.981 60.103 58.100 0.036 0.000 1.181 106 Y CB -0.372 38.131 38.460 0.071 0.000 0.976 106 Y HN 0.586 nan 8.280 nan 0.000 0.520 107 V N -1.177 118.827 119.914 0.150 0.000 3.241 107 V HA -0.206 3.914 4.120 0.000 0.000 0.269 107 V C 2.178 178.276 176.094 0.007 0.000 1.151 107 V CA 1.899 64.260 62.300 0.100 0.000 1.158 107 V CB -0.422 31.465 31.823 0.107 0.000 0.764 107 V HN 0.446 nan 8.190 nan 0.000 0.508 108 S N -0.426 115.225 115.700 -0.081 0.000 2.436 108 S HA 0.044 4.515 4.470 0.000 0.000 0.228 108 S C 1.904 176.386 174.600 -0.197 0.000 1.014 108 S CA 1.101 59.193 58.200 -0.181 0.000 0.950 108 S CB -0.244 62.781 63.200 -0.293 0.000 0.784 108 S HN 0.749 nan 8.310 nan 0.000 0.504 109 G N 2.220 110.960 108.800 -0.100 0.000 2.484 109 G HA2 -0.105 3.855 3.960 0.000 0.000 0.215 109 G HA3 -0.105 3.855 3.960 0.000 0.000 0.215 109 G C -0.780 174.175 174.900 0.092 0.000 1.219 109 G CA 0.803 45.913 45.100 0.018 0.000 0.791 109 G HN 0.429 nan 8.290 nan 0.000 0.550 110 P HA -0.077 nan 4.420 nan 0.000 0.213 110 P C 2.209 179.500 177.300 -0.013 0.000 1.170 110 P CA 1.966 65.114 63.100 0.080 0.000 0.902 110 P CB -0.545 31.247 31.700 0.153 0.000 0.789 111 G N -0.625 108.173 108.800 -0.003 0.000 2.469 111 G HA2 -0.268 3.692 3.960 0.000 0.000 0.219 111 G HA3 -0.268 3.692 3.960 0.000 0.000 0.219 111 G C 1.788 176.650 174.900 -0.063 0.000 1.150 111 G CA 1.190 46.275 45.100 -0.025 0.000 0.763 111 G HN 0.393 nan 8.290 nan 0.000 0.561 112 G N 0.750 109.473 108.800 -0.128 0.000 2.414 112 G HA2 -0.116 3.844 3.960 0.000 0.000 0.215 112 G HA3 -0.116 3.844 3.960 0.000 0.000 0.215 112 G C 1.821 176.664 174.900 -0.095 0.000 1.188 112 G CA 0.707 45.715 45.100 -0.153 0.000 0.783 112 G HN 0.416 nan 8.290 nan 0.000 0.537 113 L N 0.752 121.866 121.223 -0.180 0.000 2.042 113 L HA -0.124 4.216 4.340 0.000 0.000 0.210 113 L C 3.421 180.164 176.870 -0.211 0.000 1.076 113 L CA 1.102 55.756 54.840 -0.310 0.000 0.749 113 L CB -0.399 41.110 42.059 -0.918 0.000 0.893 113 L HN 0.328 nan 8.230 nan 0.000 0.432 114 A N -0.052 122.661 122.820 -0.177 0.000 1.877 114 A HA -0.167 4.154 4.320 0.000 0.000 0.216 114 A C 2.553 180.244 177.584 0.178 0.000 1.186 114 A CA 1.711 53.843 52.037 0.159 0.000 0.620 114 A CB -0.775 18.339 19.000 0.191 0.000 0.822 114 A HN 0.396 nan 8.150 nan 0.000 0.443 115 A N -1.491 121.397 122.820 0.113 0.000 1.883 115 A HA -0.215 4.106 4.320 0.000 0.000 0.217 115 A C 2.013 179.697 177.584 0.166 0.000 1.186 115 A CA 1.773 53.877 52.037 0.112 0.000 0.624 115 A CB -0.993 18.046 19.000 0.065 0.000 0.822 115 A HN 0.905 nan 8.150 nan 0.000 0.444 116 W N 1.786 123.081 121.300 -0.009 0.000 2.388 116 W HA -0.197 4.463 4.660 0.000 0.000 0.294 116 W C 2.591 179.153 176.519 0.073 0.000 1.212 116 W CA 2.269 59.619 57.345 0.010 0.000 1.271 116 W CB -0.346 29.100 29.460 -0.023 0.000 1.126 116 W HN 0.420 nan 8.180 nan 0.000 0.535 117 S N -0.260 115.477 115.700 0.063 0.000 2.428 117 S HA -0.133 4.338 4.470 0.000 0.000 0.230 117 S C 1.714 176.276 174.600 -0.065 0.000 1.014 117 S CA 1.324 59.489 58.200 -0.058 0.000 0.957 117 S CB -0.748 62.682 63.200 0.383 0.000 0.784 117 S HN 0.345 nan 8.310 nan 0.000 0.499 118 L N 0.860 122.091 121.223 0.013 0.000 2.592 118 L HA 0.359 4.700 4.340 0.000 0.000 0.227 118 L C 1.747 178.599 176.870 -0.030 0.000 1.127 118 L CA 0.323 55.163 54.840 -0.000 0.000 0.884 118 L CB -0.411 41.674 42.059 0.043 0.000 1.065 118 L HN 0.580 nan 8.230 nan 0.000 0.457 119 G N 1.037 109.803 108.800 -0.057 0.000 2.136 119 G HA2 -0.272 3.688 3.960 0.000 0.000 0.242 119 G HA3 -0.272 3.688 3.960 0.000 0.000 0.242 119 G C 0.172 175.077 174.900 0.010 0.000 0.989 119 G CA -0.216 44.858 45.100 -0.043 0.000 0.682 119 G HN 0.291 nan 8.290 nan 0.000 0.522 120 I N 1.592 122.184 120.570 0.036 0.000 2.342 120 I HA 0.279 4.450 4.170 0.000 0.000 0.291 120 I C -1.821 174.336 176.117 0.067 0.000 1.010 120 I CA -2.380 58.947 61.300 0.045 0.000 1.308 120 I CB 1.309 39.337 38.000 0.046 0.000 1.400 120 I HN -0.137 nan 8.210 nan 0.000 0.488 121 P HA -0.007 nan 4.420 nan 0.000 0.265 121 P C -0.726 176.590 177.300 0.027 0.000 1.193 121 P CA -0.039 63.091 63.100 0.049 0.000 0.765 121 P CB 0.714 32.435 31.700 0.035 0.000 0.823 122 V N 4.867 124.785 119.914 0.006 0.000 2.487 122 V HA 0.475 4.595 4.120 0.000 0.000 0.298 122 V C -0.857 175.181 176.094 -0.093 0.000 1.028 122 V CA -0.705 61.567 62.300 -0.048 0.000 0.860 122 V CB 1.745 33.530 31.823 -0.063 0.000 0.991 122 V HN 0.173 nan 8.190 nan 0.000 0.427 123 V N 7.587 127.435 119.914 -0.109 0.000 2.513 123 V HA 0.586 4.706 4.120 0.000 0.000 0.299 123 V C -0.121 175.875 176.094 -0.163 0.000 1.035 123 V CA -0.601 61.621 62.300 -0.129 0.000 0.889 123 V CB 1.603 33.360 31.823 -0.111 0.000 0.988 123 V HN 0.820 nan 8.190 nan 0.000 0.440 124 L N 3.559 124.671 121.223 -0.185 0.000 2.365 124 L HA 0.605 4.945 4.340 0.000 0.000 0.273 124 L C -1.006 175.776 176.870 -0.147 0.000 1.000 124 L CA -0.688 54.030 54.840 -0.203 0.000 0.819 124 L CB 2.078 43.959 42.059 -0.297 0.000 1.284 124 L HN 0.755 nan 8.230 nan 0.000 0.418 125 H N 1.603 120.560 119.070 -0.188 0.000 2.547 125 H HA 0.416 4.972 4.556 0.000 0.000 0.342 125 H C -1.087 174.188 175.328 -0.089 0.000 1.048 125 H CA -0.563 55.399 56.048 -0.143 0.000 1.204 125 H CB 1.659 31.343 29.762 -0.131 0.000 1.493 125 H HN 0.486 nan 8.280 nan 0.000 0.511 126 E N 3.268 123.079 120.200 -0.648 0.000 2.133 126 E HA 0.171 4.522 4.350 0.000 0.000 0.274 126 E C -0.129 176.167 176.600 -0.506 0.000 0.930 126 E CA -0.426 55.769 56.400 -0.342 0.000 0.770 126 E CB 1.447 31.150 29.700 0.004 0.000 1.104 126 E HN 0.745 nan 8.360 nan 0.000 0.403 127 Q N 2.252 121.916 119.800 -0.227 0.000 2.331 127 Q HA 0.182 4.522 4.340 0.000 0.000 0.203 127 Q C -0.388 175.622 176.000 0.016 0.000 0.944 127 Q CA 0.696 56.437 55.803 -0.103 0.000 0.892 127 Q CB 0.182 28.961 28.738 0.068 0.000 0.983 127 Q HN 0.466 nan 8.270 nan 0.000 0.482 128 N N -1.417 117.332 118.700 0.081 0.000 2.459 128 N HA 0.391 5.132 4.740 0.000 0.000 0.288 128 N C 0.724 176.373 175.510 0.231 0.000 1.186 128 N CA -0.074 53.105 53.050 0.215 0.000 0.917 128 N CB 0.879 39.434 38.487 0.113 0.000 1.219 128 N HN 0.016 nan 8.380 nan 0.000 0.525 129 G N -0.192 108.771 108.800 0.272 0.000 2.470 129 G HA2 -0.066 3.894 3.960 0.000 0.000 0.220 129 G HA3 -0.066 3.894 3.960 0.000 0.000 0.220 129 G C 0.133 175.030 174.900 -0.004 0.000 1.121 129 G CA 0.800 46.013 45.100 0.188 0.000 0.766 129 G HN 0.404 nan 8.290 nan 0.000 0.553 130 I N 0.996 121.560 120.570 -0.009 0.000 2.389 130 I HA 0.462 4.632 4.170 0.000 0.000 0.288 130 I C 0.512 176.549 176.117 -0.134 0.000 0.999 130 I CA -1.762 59.467 61.300 -0.117 0.000 1.129 130 I CB 0.856 38.831 38.000 -0.041 0.000 1.288 130 I HN 0.045 nan 8.210 nan 0.000 0.444 131 A N 5.291 127.942 122.820 -0.282 0.000 2.567 131 A HA 0.460 4.780 4.320 0.000 0.000 0.240 131 A C 0.934 178.434 177.584 -0.139 0.000 1.053 131 A CA 0.513 52.379 52.037 -0.286 0.000 0.755 131 A CB -0.168 18.428 19.000 -0.674 0.000 0.978 131 A HN 0.910 nan 8.150 nan 0.000 0.507 132 G N 0.948 109.709 108.800 -0.065 0.000 2.508 132 G HA2 0.409 4.370 3.960 0.000 0.000 0.278 132 G HA3 0.409 4.370 3.960 0.000 0.000 0.278 132 G C 1.111 175.969 174.900 -0.069 0.000 1.389 132 G CA -0.175 44.897 45.100 -0.047 0.000 1.050 132 G HN 0.863 nan 8.290 nan 0.000 0.522 133 L N -0.247 120.920 121.223 -0.093 0.000 2.021 133 L HA -0.208 4.132 4.340 0.000 0.000 0.244 133 L C 2.719 179.546 176.870 -0.073 0.000 1.094 133 L CA 3.294 58.078 54.840 -0.093 0.000 0.842 133 L CB -2.535 39.336 42.059 -0.314 0.000 0.921 133 L HN 0.692 nan 8.230 nan 0.000 0.435 134 T N -1.706 112.714 114.554 -0.222 0.000 2.833 134 T HA -0.206 4.144 4.350 0.000 0.000 0.269 134 T C 1.714 175.967 174.700 -0.746 0.000 1.054 134 T CA 1.874 63.681 62.100 -0.488 0.000 1.135 134 T CB -0.793 67.804 68.868 -0.451 0.000 0.869 134 T HN 0.463 nan 8.240 nan 0.000 0.466 135 N N 0.596 119.054 118.700 -0.403 0.000 2.149 135 N HA -0.119 4.621 4.740 0.000 0.000 0.188 135 N C 2.039 177.501 175.510 -0.081 0.000 1.019 135 N CA 1.198 54.091 53.050 -0.261 0.000 0.857 135 N CB -0.183 38.257 38.487 -0.077 0.000 0.997 135 N HN 0.513 nan 8.380 nan 0.000 0.426 136 K N 0.912 121.291 120.400 -0.035 0.000 2.026 136 K HA -0.150 4.170 4.320 0.000 0.000 0.208 136 K C 2.043 178.709 176.600 0.110 0.000 1.048 136 K CA 1.471 57.807 56.287 0.081 0.000 0.929 136 K CB -0.128 32.390 32.500 0.030 0.000 0.713 136 K HN 0.449 nan 8.250 nan 0.000 0.439 137 W N 0.072 121.362 121.300 -0.017 0.000 2.863 137 W HA 0.018 4.678 4.660 0.000 0.000 0.258 137 W C 1.046 177.497 176.519 -0.114 0.000 1.298 137 W CA -0.222 57.089 57.345 -0.057 0.000 1.451 137 W CB -0.277 29.146 29.460 -0.062 0.000 1.107 137 W HN 0.031 nan 8.180 nan 0.000 0.641 138 L N 2.589 123.359 121.223 -0.754 0.000 2.395 138 L HA 0.216 4.557 4.340 0.000 0.000 0.218 138 L C 2.594 179.196 176.870 -0.446 0.000 1.130 138 L CA 1.871 56.198 54.840 -0.855 0.000 0.826 138 L CB -0.870 40.534 42.059 -1.092 0.000 0.941 138 L HN 0.005 nan 8.230 nan 0.000 0.451 139 A N -0.583 122.050 122.820 -0.312 0.000 1.933 139 A HA -0.174 4.146 4.320 0.000 0.000 0.218 139 A C 2.173 179.615 177.584 -0.237 0.000 1.175 139 A CA 1.338 53.196 52.037 -0.299 0.000 0.628 139 A CB -0.397 18.448 19.000 -0.259 0.000 0.814 139 A HN 0.320 nan 8.150 nan 0.000 0.444 140 K N 0.341 120.643 120.400 -0.163 0.000 2.089 140 K HA -0.181 4.139 4.320 0.000 0.000 0.210 140 K C 1.497 177.929 176.600 -0.281 0.000 1.048 140 K CA 1.845 58.037 56.287 -0.158 0.000 0.926 140 K CB -0.787 31.658 32.500 -0.092 0.000 0.714 140 K HN 0.855 nan 8.250 nan 0.000 0.448 141 I N -2.146 118.165 120.570 -0.432 0.000 3.884 141 I HA 0.326 4.496 4.170 0.000 0.000 0.330 141 I C 0.302 176.170 176.117 -0.415 0.000 1.451 141 I CA -0.597 60.292 61.300 -0.683 0.000 1.165 141 I CB 0.254 37.445 38.000 -1.348 0.000 1.097 141 I HN -0.229 nan 8.210 nan 0.000 0.404 142 A N 0.734 123.383 122.820 -0.286 0.000 2.304 142 A HA 0.561 4.881 4.320 0.000 0.000 0.301 142 A C 0.995 178.498 177.584 -0.134 0.000 1.132 142 A CA -0.261 51.650 52.037 -0.211 0.000 0.819 142 A CB 0.844 19.688 19.000 -0.260 0.000 1.094 142 A HN 0.296 nan 8.150 nan 0.000 0.492 143 T N 0.078 114.578 114.554 -0.090 0.000 2.976 143 T HA 0.103 4.453 4.350 0.000 0.000 0.257 143 T C 0.562 175.215 174.700 -0.079 0.000 1.051 143 T CA 1.526 63.594 62.100 -0.053 0.000 1.141 143 T CB -0.121 68.737 68.868 -0.017 0.000 0.881 143 T HN 0.626 nan 8.240 nan 0.000 0.461 144 K N 1.067 121.401 120.400 -0.110 0.000 2.535 144 K HA 0.553 4.873 4.320 0.000 0.000 0.251 144 K C -1.964 174.529 176.600 -0.178 0.000 0.942 144 K CA -0.549 55.665 56.287 -0.123 0.000 0.798 144 K CB 1.819 34.265 32.500 -0.090 0.000 1.267 144 K HN -0.159 nan 8.250 nan 0.000 0.434 145 V N 5.119 124.905 119.914 -0.213 0.000 2.680 145 V HA 0.646 4.767 4.120 0.000 0.000 0.309 145 V C -0.469 175.491 176.094 -0.223 0.000 1.052 145 V CA -0.686 61.434 62.300 -0.300 0.000 0.908 145 V CB 1.731 33.249 31.823 -0.508 0.000 1.001 145 V HN 0.827 nan 8.190 nan 0.000 0.431 146 M N 4.512 123.991 119.600 -0.201 0.000 2.501 146 M HA 0.609 5.089 4.480 0.000 0.000 0.293 146 M C -1.083 175.122 176.300 -0.159 0.000 1.192 146 M CA -0.597 54.636 55.300 -0.112 0.000 0.886 146 M CB 2.662 35.254 32.600 -0.014 0.000 1.710 146 M HN 0.796 nan 8.290 nan 0.000 0.457 147 Q N 0.772 120.497 119.800 -0.124 0.000 2.456 147 Q HA 0.807 5.147 4.340 0.000 0.000 0.283 147 Q C -0.331 175.541 176.000 -0.213 0.000 1.084 147 Q CA -0.833 54.856 55.803 -0.190 0.000 0.801 147 Q CB 2.237 30.963 28.738 -0.021 0.000 1.434 147 Q HN 0.782 nan 8.270 nan 0.000 0.419 148 A N 1.333 123.925 122.820 -0.379 0.000 1.872 148 A HA 0.177 4.498 4.320 0.000 0.000 0.214 148 A C 0.054 177.196 177.584 -0.737 0.000 1.187 148 A CA 0.945 52.601 52.037 -0.635 0.000 0.614 148 A CB -0.241 18.119 19.000 -1.066 0.000 0.826 148 A HN 0.566 nan 8.150 nan 0.000 0.442 149 F N -1.746 118.200 119.950 -0.008 0.000 2.598 149 F HA 0.576 5.103 4.527 0.000 0.000 0.327 149 F C -2.656 173.141 175.800 -0.005 0.000 1.057 149 F CA -3.019 54.979 58.000 -0.004 0.000 0.957 149 F CB 0.812 39.809 39.000 -0.005 0.000 1.278 149 F HN -0.209 nan 8.300 nan 0.000 0.484 150 P HA 0.294 nan 4.420 nan 0.000 0.272 150 P C 0.591 177.920 177.300 0.049 0.000 1.230 150 P CA 0.683 63.839 63.100 0.094 0.000 0.788 150 P CB 0.882 32.630 31.700 0.081 0.000 0.949 151 G N 0.715 109.504 108.800 -0.018 0.000 2.234 151 G HA2 -0.322 3.639 3.960 0.000 0.000 0.235 151 G HA3 -0.322 3.639 3.960 0.000 0.000 0.235 151 G C 1.230 176.006 174.900 -0.207 0.000 0.997 151 G CA 0.528 45.547 45.100 -0.135 0.000 0.623 151 G HN 0.662 nan 8.290 nan 0.000 0.514 152 A N -0.577 122.162 122.820 -0.135 0.000 1.877 152 A HA 0.515 4.836 4.320 0.000 0.000 0.216 152 A C 0.799 178.057 177.584 -0.544 0.000 1.186 152 A CA 1.664 53.532 52.037 -0.281 0.000 0.620 152 A CB -0.158 18.787 19.000 -0.092 0.000 0.822 152 A HN 0.874 nan 8.150 nan 0.000 0.443 153 F N -2.658 117.230 119.950 -0.103 0.000 2.565 153 F HA 0.462 4.989 4.527 0.000 0.000 0.313 153 F C -1.796 173.955 175.800 -0.081 0.000 1.091 153 F CA -2.027 55.916 58.000 -0.095 0.000 0.915 153 F CB 1.551 40.492 39.000 -0.098 0.000 1.208 153 F HN -0.140 nan 8.300 nan 0.000 0.453 154 P HA -0.162 nan 4.420 nan 0.000 0.208 154 P C -0.425 176.899 177.300 0.039 0.000 1.180 154 P CA 1.640 64.761 63.100 0.036 0.000 0.935 154 P CB 0.149 31.864 31.700 0.025 0.000 0.785 155 N N -0.420 118.304 118.700 0.040 0.000 3.228 155 N HA 0.437 5.177 4.740 0.000 0.000 0.289 155 N C -0.874 174.634 175.510 -0.005 0.000 1.419 155 N CA -0.425 52.633 53.050 0.012 0.000 1.088 155 N CB 0.372 38.859 38.487 -0.001 0.000 1.357 155 N HN 0.093 nan 8.380 nan 0.000 0.504 156 A N 0.965 123.790 122.820 0.008 0.000 2.356 156 A HA 0.271 4.591 4.320 0.000 0.000 0.310 156 A C -0.147 177.422 177.584 -0.025 0.000 1.075 156 A CA -0.647 51.370 52.037 -0.034 0.000 0.746 156 A CB 1.209 20.188 19.000 -0.036 0.000 1.221 156 A HN 0.440 nan 8.150 nan 0.000 0.443 157 E N 1.444 121.617 120.200 -0.046 0.000 2.452 157 E HA 0.264 4.614 4.350 0.000 0.000 0.261 157 E C -0.844 175.737 176.600 -0.031 0.000 0.987 157 E CA 0.020 56.399 56.400 -0.034 0.000 0.926 157 E CB 0.542 30.217 29.700 -0.042 0.000 0.934 157 E HN 0.379 nan 8.360 nan 0.000 0.452 158 V N 6.549 126.450 119.914 -0.021 0.000 2.334 158 V HA 0.041 4.161 4.120 0.000 0.000 0.267 158 V C 0.922 176.995 176.094 -0.034 0.000 1.040 158 V CA -0.081 62.204 62.300 -0.025 0.000 0.866 158 V CB 0.888 32.710 31.823 -0.001 0.000 1.019 158 V HN 0.700 nan 8.190 nan 0.000 0.468 159 V N 2.242 122.130 119.914 -0.043 0.000 3.556 159 V HA 0.730 4.850 4.120 0.000 0.000 0.287 159 V C 0.838 176.893 176.094 -0.065 0.000 1.422 159 V CA 0.501 62.774 62.300 -0.045 0.000 1.038 159 V CB -0.350 31.451 31.823 -0.037 0.000 0.850 159 V HN 1.282 nan 8.190 nan 0.000 0.437 160 G N 1.362 110.099 108.800 -0.105 0.000 2.829 160 G HA2 -0.195 3.765 3.960 0.000 0.000 0.628 160 G HA3 -0.195 3.765 3.960 0.000 0.000 0.628 160 G C -0.721 174.111 174.900 -0.113 0.000 1.412 160 G CA -0.060 44.931 45.100 -0.181 0.000 0.864 160 G HN 0.577 nan 8.290 nan 0.000 0.544 161 N N 1.041 119.648 118.700 -0.156 0.000 2.498 161 N HA 0.569 5.310 4.740 0.000 0.000 0.287 161 N C -2.423 173.036 175.510 -0.085 0.000 1.097 161 N CA -1.163 51.848 53.050 -0.066 0.000 0.973 161 N CB 1.306 39.773 38.487 -0.033 0.000 1.153 161 N HN 0.268 nan 8.380 nan 0.000 0.472 162 P HA 0.077 nan 4.420 nan 0.000 0.268 162 P C -0.599 176.683 177.300 -0.031 0.000 1.204 162 P CA -0.032 63.009 63.100 -0.099 0.000 0.768 162 P CB 0.728 32.353 31.700 -0.124 0.000 0.842 163 V N 4.358 124.259 119.914 -0.020 0.000 2.513 163 V HA 0.348 4.468 4.120 0.000 0.000 0.299 163 V C 0.698 176.800 176.094 0.012 0.000 1.035 163 V CA -0.925 61.376 62.300 0.002 0.000 0.889 163 V CB 1.432 33.252 31.823 -0.004 0.000 0.988 163 V HN 0.548 nan 8.190 nan 0.000 0.440 164 R N 2.080 122.588 120.500 0.014 0.000 2.537 164 R HA 0.039 4.379 4.340 0.000 0.000 0.281 164 R C 0.799 177.112 176.300 0.021 0.000 0.988 164 R CA 0.271 56.377 56.100 0.010 0.000 1.077 164 R CB -0.369 29.919 30.300 -0.020 0.000 0.932 164 R HN 0.709 nan 8.270 nan 0.000 0.409 165 T N 2.391 116.962 114.554 0.028 0.000 2.620 165 T HA -0.248 4.102 4.350 0.000 0.000 0.267 165 T C 1.174 175.890 174.700 0.026 0.000 1.044 165 T CA 2.228 64.346 62.100 0.029 0.000 1.161 165 T CB -0.444 68.444 68.868 0.033 0.000 0.862 165 T HN 0.891 nan 8.240 nan 0.000 0.438 166 D N 1.045 121.460 120.400 0.025 0.000 2.221 166 D HA -0.080 4.560 4.640 0.000 0.000 0.204 166 D C 1.798 178.125 176.300 0.045 0.000 0.982 166 D CA 0.676 54.694 54.000 0.029 0.000 0.857 166 D CB -0.781 40.032 40.800 0.020 0.000 0.934 166 D HN 0.365 nan 8.370 nan 0.000 0.475 167 V N 0.094 120.039 119.914 0.052 0.000 2.878 167 V HA 0.029 4.149 4.120 0.000 0.000 0.250 167 V C 2.486 178.596 176.094 0.026 0.000 1.075 167 V CA 0.451 62.790 62.300 0.065 0.000 1.096 167 V CB -0.275 31.597 31.823 0.083 0.000 0.724 167 V HN 0.196 nan 8.190 nan 0.000 0.467 168 L N 0.344 121.578 121.223 0.019 0.000 2.291 168 L HA 0.020 4.360 4.340 0.000 0.000 0.214 168 L C 2.263 179.140 176.870 0.012 0.000 1.120 168 L CA 1.130 55.975 54.840 0.009 0.000 0.799 168 L CB -0.375 41.690 42.059 0.011 0.000 0.925 168 L HN 0.355 nan 8.230 nan 0.000 0.446 169 A N -0.675 122.157 122.820 0.020 0.000 2.302 169 A HA 0.178 4.498 4.320 0.000 0.000 0.219 169 A C 0.521 178.119 177.584 0.023 0.000 1.243 169 A CA -0.128 51.921 52.037 0.020 0.000 0.856 169 A CB -0.189 18.824 19.000 0.022 0.000 0.893 169 A HN 0.118 nan 8.150 nan 0.000 0.491 170 L N 0.746 121.983 121.223 0.024 0.000 2.397 170 L HA 0.374 4.714 4.340 0.000 0.000 0.271 170 L C -2.061 174.818 176.870 0.015 0.000 1.148 170 L CA -1.825 53.031 54.840 0.028 0.000 0.825 170 L CB 0.187 42.266 42.059 0.034 0.000 1.117 170 L HN 0.059 nan 8.230 nan 0.000 0.456 171 P HA 0.160 nan 4.420 nan 0.000 0.269 171 P C -0.465 176.834 177.300 -0.002 0.000 1.215 171 P CA -0.383 62.722 63.100 0.008 0.000 0.780 171 P CB 0.416 32.123 31.700 0.013 0.000 0.898 172 L N 3.536 124.754 121.223 -0.008 0.000 2.476 172 L HA 0.091 4.432 4.340 0.000 0.000 0.264 172 L C -1.127 175.730 176.870 -0.022 0.000 1.224 172 L CA -1.356 53.474 54.840 -0.017 0.000 0.821 172 L CB -0.242 41.807 42.059 -0.016 0.000 1.101 172 L HN 0.357 nan 8.230 nan 0.000 0.488 173 P HA -0.247 nan 4.420 nan 0.000 0.212 173 P C 1.273 178.552 177.300 -0.034 0.000 1.174 173 P CA 1.125 64.201 63.100 -0.041 0.000 0.934 173 P CB 0.056 31.724 31.700 -0.052 0.000 0.791 174 Q N -0.424 119.357 119.800 -0.031 0.000 2.007 174 Q HA -0.325 4.016 4.340 0.000 0.000 0.214 174 Q C 2.254 178.242 176.000 -0.020 0.000 1.031 174 Q CA 2.082 57.870 55.803 -0.025 0.000 0.886 174 Q CB -1.414 27.312 28.738 -0.020 0.000 0.992 174 Q HN 0.442 nan 8.270 nan 0.000 0.415 175 Q N -0.001 119.790 119.800 -0.014 0.000 2.112 175 Q HA -0.222 4.118 4.340 0.000 0.000 0.206 175 Q C 2.204 178.199 176.000 -0.008 0.000 0.987 175 Q CA 1.902 57.700 55.803 -0.008 0.000 0.858 175 Q CB -0.051 28.685 28.738 -0.004 0.000 0.905 175 Q HN 0.266 nan 8.270 nan 0.000 0.420 176 R N -0.526 119.968 120.500 -0.010 0.000 2.066 176 R HA -0.080 4.261 4.340 0.000 0.000 0.232 176 R C 1.239 177.525 176.300 -0.022 0.000 1.131 176 R CA 1.024 57.119 56.100 -0.009 0.000 0.955 176 R CB 0.112 30.407 30.300 -0.008 0.000 0.851 176 R HN 0.229 nan 8.270 nan 0.000 0.432 177 L N 1.269 122.472 121.223 -0.033 0.000 2.685 177 L HA 0.348 4.689 4.340 0.000 0.000 0.233 177 L C 0.158 177.008 176.870 -0.034 0.000 1.173 177 L CA -0.058 54.755 54.840 -0.044 0.000 0.961 177 L CB -0.719 41.307 42.059 -0.056 0.000 1.217 177 L HN 0.127 nan 8.230 nan 0.000 0.478 178 A N 0.501 123.306 122.820 -0.024 0.000 2.500 178 A HA 0.432 4.752 4.320 0.000 0.000 0.285 178 A C 1.518 179.092 177.584 -0.017 0.000 1.183 178 A CA 0.644 52.670 52.037 -0.018 0.000 0.851 178 A CB -0.783 18.210 19.000 -0.012 0.000 1.091 178 A HN 0.716 nan 8.150 nan 0.000 0.521 179 G N 2.638 111.427 108.800 -0.019 0.000 2.295 179 G HA2 -0.256 3.704 3.960 0.000 0.000 0.287 179 G HA3 -0.256 3.704 3.960 0.000 0.000 0.287 179 G C 0.265 175.154 174.900 -0.019 0.000 1.055 179 G CA 0.509 45.599 45.100 -0.016 0.000 0.922 179 G HN 0.926 nan 8.290 nan 0.000 0.503 180 R N 0.019 120.502 120.500 -0.029 0.000 2.441 180 R HA 0.532 4.873 4.340 0.000 0.000 0.284 180 R C 0.273 176.553 176.300 -0.033 0.000 1.070 180 R CA 0.028 56.106 56.100 -0.037 0.000 1.047 180 R CB 0.695 30.959 30.300 -0.060 0.000 1.016 180 R HN 0.573 nan 8.270 nan 0.000 0.477 181 E N 0.263 120.446 120.200 -0.029 0.000 2.383 181 E HA 0.574 4.924 4.350 0.000 0.000 0.275 181 E C -0.538 176.050 176.600 -0.020 0.000 0.918 181 E CA -0.825 55.562 56.400 -0.021 0.000 0.764 181 E CB 2.339 32.032 29.700 -0.011 0.000 1.252 181 E HN 0.767 nan 8.360 nan 0.000 0.449 182 G N 1.348 110.140 108.800 -0.013 0.000 2.409 182 G HA2 -0.104 3.856 3.960 0.000 0.000 0.421 182 G HA3 -0.104 3.856 3.960 0.000 0.000 0.421 182 G C -2.805 172.091 174.900 -0.007 0.000 1.259 182 G CA -1.279 43.817 45.100 -0.006 0.000 1.011 182 G HN 0.401 nan 8.290 nan 0.000 0.497 183 P HA 0.367 nan 4.420 nan 0.000 0.264 183 P C 0.458 177.748 177.300 -0.017 0.000 1.183 183 P CA -0.410 62.700 63.100 0.017 0.000 0.763 183 P CB 0.767 32.499 31.700 0.053 0.000 0.807 184 V N 5.479 125.383 119.914 -0.016 0.000 2.617 184 V HA -0.046 4.074 4.120 0.000 0.000 0.304 184 V C 1.142 177.175 176.094 -0.102 0.000 1.040 184 V CA 0.255 62.523 62.300 -0.054 0.000 1.149 184 V CB -0.255 31.565 31.823 -0.004 0.000 0.914 184 V HN 0.453 nan 8.190 nan 0.000 0.487 185 R N 4.704 125.038 120.500 -0.277 0.000 2.242 185 R HA 0.315 4.655 4.340 0.000 0.000 0.334 185 R C -0.865 175.238 176.300 -0.329 0.000 1.071 185 R CA -0.300 55.455 56.100 -0.574 0.000 0.922 185 R CB 0.419 29.867 30.300 -1.419 0.000 1.023 185 R HN 0.439 nan 8.270 nan 0.000 0.458 186 V N 5.446 125.372 119.914 0.020 0.000 2.347 186 V HA 0.200 4.320 4.120 0.000 0.000 0.280 186 V C -0.141 176.160 176.094 0.344 0.000 1.021 186 V CA -0.903 61.480 62.300 0.140 0.000 0.847 186 V CB 1.413 33.299 31.823 0.105 0.000 0.990 186 V HN 0.487 nan 8.190 nan 0.000 0.444 187 L N 7.050 128.449 121.223 0.293 0.000 2.275 187 L HA 0.630 4.970 4.340 0.000 0.000 0.288 187 L C -0.346 176.566 176.870 0.070 0.000 1.046 187 L CA 0.215 55.210 54.840 0.258 0.000 0.805 187 L CB 1.602 43.796 42.059 0.225 0.000 1.193 187 L HN 0.444 nan 8.230 nan 0.000 0.426 188 V N 6.060 125.959 119.914 -0.026 0.000 2.384 188 V HA 0.582 4.702 4.120 0.000 0.000 0.287 188 V C -0.528 175.424 176.094 -0.237 0.000 1.020 188 V CA -0.611 61.602 62.300 -0.146 0.000 0.850 188 V CB 1.689 33.337 31.823 -0.292 0.000 0.987 188 V HN 0.515 nan 8.190 nan 0.000 0.436 189 V N 3.390 123.213 119.914 -0.152 0.000 2.577 189 V HA 0.649 4.769 4.120 0.000 0.000 0.303 189 V C 0.678 176.739 176.094 -0.055 0.000 1.042 189 V CA -0.270 61.947 62.300 -0.138 0.000 0.872 189 V CB 2.029 33.780 31.823 -0.121 0.000 0.998 189 V HN 0.901 nan 8.190 nan 0.000 0.423 190 G N 2.588 111.364 108.800 -0.040 0.000 4.637 190 G HA2 0.572 4.533 3.960 0.000 0.000 0.308 190 G HA3 0.572 4.533 3.960 0.000 0.000 0.308 190 G C 0.579 175.502 174.900 0.037 0.000 1.377 190 G CA 0.262 45.374 45.100 0.020 0.000 1.176 190 G HN 1.479 nan 8.290 nan 0.000 0.601 191 G N 0.414 109.236 108.800 0.037 0.000 2.888 191 G HA2 -0.087 3.874 3.960 0.000 0.000 0.441 191 G HA3 -0.087 3.874 3.960 0.000 0.000 0.441 191 G C 1.376 176.329 174.900 0.089 0.000 1.461 191 G CA 0.295 45.425 45.100 0.051 0.000 0.897 191 G HN 1.389 nan 8.290 nan 0.000 0.547 192 S N -1.239 114.543 115.700 0.136 0.000 2.442 192 S HA -0.137 4.333 4.470 0.000 0.000 0.236 192 S C 1.916 176.638 174.600 0.204 0.000 1.007 192 S CA 2.205 60.566 58.200 0.268 0.000 0.965 192 S CB -0.030 63.316 63.200 0.243 0.000 0.773 192 S HN 0.709 nan 8.310 nan 0.000 0.504 193 Q N 1.241 121.103 119.800 0.104 0.000 2.259 193 Q HA 0.453 4.794 4.340 0.000 0.000 0.201 193 Q C 0.999 177.051 176.000 0.086 0.000 0.938 193 Q CA 0.962 56.808 55.803 0.072 0.000 0.872 193 Q CB 0.164 28.918 28.738 0.026 0.000 0.971 193 Q HN 0.796 nan 8.270 nan 0.000 0.494 194 G N -0.993 107.855 108.800 0.080 0.000 2.576 194 G HA2 0.303 4.263 3.960 0.000 0.000 0.686 194 G HA3 0.303 4.263 3.960 0.000 0.000 0.686 194 G C -1.275 173.671 174.900 0.077 0.000 1.242 194 G CA -0.585 44.567 45.100 0.086 0.000 0.819 194 G HN 0.452 nan 8.290 nan 0.000 0.655 195 A N 1.272 124.147 122.820 0.093 0.000 2.332 195 A HA 0.812 5.132 4.320 0.000 0.000 0.300 195 A C 1.026 178.681 177.584 0.118 0.000 1.153 195 A CA 0.554 52.654 52.037 0.105 0.000 0.764 195 A CB 1.345 20.413 19.000 0.112 0.000 1.174 195 A HN 1.247 nan 8.150 nan 0.000 0.467 196 R N 1.882 122.448 120.500 0.110 0.000 2.096 196 R HA -0.209 4.131 4.340 0.000 0.000 0.240 196 R C 1.737 178.092 176.300 0.092 0.000 1.139 196 R CA 2.321 58.478 56.100 0.095 0.000 0.952 196 R CB -0.299 30.051 30.300 0.083 0.000 0.854 196 R HN 0.813 nan 8.270 nan 0.000 0.436 197 I N 1.182 121.812 120.570 0.099 0.000 2.145 197 I HA -0.317 3.854 4.170 0.000 0.000 0.244 197 I C 1.840 178.011 176.117 0.090 0.000 1.075 197 I CA 1.717 63.068 61.300 0.086 0.000 1.332 197 I CB -0.256 37.800 38.000 0.093 0.000 1.033 197 I HN 0.246 nan 8.210 nan 0.000 0.410 198 L N 0.106 121.398 121.223 0.115 0.000 2.072 198 L HA -0.158 4.182 4.340 0.000 0.000 0.205 198 L C 2.214 179.226 176.870 0.237 0.000 1.079 198 L CA 1.220 56.146 54.840 0.144 0.000 0.752 198 L CB -1.118 41.001 42.059 0.101 0.000 0.906 198 L HN 0.287 nan 8.230 nan 0.000 0.436 199 N N 0.296 119.133 118.700 0.227 0.000 2.272 199 N HA -0.199 4.541 4.740 0.000 0.000 0.185 199 N C 1.678 177.188 175.510 0.000 0.000 1.014 199 N CA 1.256 54.406 53.050 0.166 0.000 0.870 199 N CB -0.070 38.493 38.487 0.127 0.000 0.975 199 N HN 0.587 nan 8.380 nan 0.000 0.433 200 Q N -1.092 118.720 119.800 0.021 0.000 2.350 200 Q HA 0.148 4.488 4.340 0.000 0.000 0.225 200 Q C 1.151 177.132 176.000 -0.031 0.000 0.878 200 Q CA 0.422 56.208 55.803 -0.029 0.000 0.935 200 Q CB 0.593 29.327 28.738 -0.007 0.000 1.099 200 Q HN 0.269 nan 8.270 nan 0.000 0.527 201 T N 0.682 115.242 114.554 0.011 0.000 2.925 201 T HA 0.014 4.364 4.350 0.000 0.000 0.245 201 T C 1.809 176.516 174.700 0.012 0.000 1.025 201 T CA 0.431 62.538 62.100 0.013 0.000 1.149 201 T CB 0.052 68.942 68.868 0.036 0.000 0.866 201 T HN 0.066 nan 8.240 nan 0.000 0.437 202 M N 1.045 120.685 119.600 0.065 0.000 2.106 202 M HA -0.040 4.440 4.480 0.000 0.000 0.259 202 M C -0.843 175.474 176.300 0.027 0.000 1.068 202 M CA 1.453 56.822 55.300 0.114 0.000 1.100 202 M CB -2.413 30.374 32.600 0.312 0.000 1.351 202 M HN 0.134 nan 8.290 nan 0.000 0.404 203 P HA -0.141 nan 4.420 nan 0.000 0.215 203 P C 1.706 178.938 177.300 -0.113 0.000 1.153 203 P CA 1.109 63.903 63.100 -0.512 0.000 0.853 203 P CB -0.132 31.126 31.700 -0.737 0.000 0.788 204 Q N -0.773 118.981 119.800 -0.077 0.000 2.172 204 Q HA -0.045 4.296 4.340 0.000 0.000 0.200 204 Q C 2.101 178.112 176.000 0.018 0.000 0.964 204 Q CA 1.022 56.813 55.803 -0.020 0.000 0.855 204 Q CB -0.943 27.780 28.738 -0.024 0.000 0.918 204 Q HN 0.172 nan 8.270 nan 0.000 0.444 205 V N 0.961 120.893 119.914 0.030 0.000 2.667 205 V HA -0.166 3.954 4.120 0.000 0.000 0.252 205 V C 2.218 178.357 176.094 0.076 0.000 1.065 205 V CA 1.405 63.731 62.300 0.044 0.000 1.083 205 V CB -0.700 31.150 31.823 0.045 0.000 0.692 205 V HN 0.268 nan 8.190 nan 0.000 0.468 206 A N 0.046 122.944 122.820 0.129 0.000 1.929 206 A HA -0.015 4.305 4.320 0.000 0.000 0.216 206 A C 2.423 180.105 177.584 0.164 0.000 1.176 206 A CA 1.667 53.819 52.037 0.191 0.000 0.628 206 A CB -0.589 18.638 19.000 0.379 0.000 0.816 206 A HN 0.528 nan 8.150 nan 0.000 0.444 207 A N -0.372 122.522 122.820 0.123 0.000 1.933 207 A HA -0.151 4.169 4.320 0.000 0.000 0.218 207 A C 2.142 179.764 177.584 0.063 0.000 1.175 207 A CA 1.863 53.953 52.037 0.088 0.000 0.628 207 A CB -0.366 18.669 19.000 0.057 0.000 0.814 207 A HN 0.494 nan 8.150 nan 0.000 0.444 208 K N -0.721 119.709 120.400 0.050 0.000 2.103 208 K HA 0.104 4.424 4.320 0.000 0.000 0.204 208 K C 1.715 178.336 176.600 0.034 0.000 1.052 208 K CA 1.011 57.317 56.287 0.032 0.000 0.945 208 K CB -0.172 32.337 32.500 0.016 0.000 0.722 208 K HN 0.494 nan 8.250 nan 0.000 0.443 209 L N -0.465 120.787 121.223 0.048 0.000 2.307 209 L HA 0.078 4.419 4.340 0.000 0.000 0.211 209 L C 1.510 178.420 176.870 0.066 0.000 1.099 209 L CA 0.412 55.279 54.840 0.046 0.000 0.816 209 L CB -0.688 41.396 42.059 0.043 0.000 0.952 209 L HN 0.386 nan 8.230 nan 0.000 0.455 210 G N 1.173 110.030 108.800 0.095 0.000 2.634 210 G HA2 -0.426 3.535 3.960 0.000 0.000 0.309 210 G HA3 -0.426 3.535 3.960 0.000 0.000 0.309 210 G C 0.427 175.398 174.900 0.117 0.000 1.265 210 G CA 0.722 45.885 45.100 0.105 0.000 0.998 210 G HN 0.289 nan 8.290 nan 0.000 0.551 211 D N 1.117 121.565 120.400 0.079 0.000 2.378 211 D HA 0.080 4.720 4.640 0.000 0.000 0.222 211 D C 2.664 179.005 176.300 0.069 0.000 0.980 211 D CA 1.537 55.579 54.000 0.071 0.000 0.907 211 D CB -0.277 40.548 40.800 0.042 0.000 0.899 211 D HN 0.573 nan 8.370 nan 0.000 0.527 212 S N -0.858 114.880 115.700 0.063 0.000 2.515 212 S HA -0.002 4.468 4.470 0.000 0.000 0.231 212 S C 0.797 175.432 174.600 0.058 0.000 0.987 212 S CA 0.240 58.469 58.200 0.048 0.000 0.936 212 S CB -0.360 62.861 63.200 0.035 0.000 0.766 212 S HN 0.085 nan 8.310 nan 0.000 0.528 213 V N -2.989 116.980 119.914 0.092 0.000 3.114 213 V HA 0.816 4.936 4.120 0.000 0.000 0.308 213 V C -0.782 175.430 176.094 0.196 0.000 1.168 213 V CA -0.445 61.916 62.300 0.100 0.000 1.015 213 V CB 1.474 33.335 31.823 0.063 0.000 1.050 213 V HN 0.093 nan 8.190 nan 0.000 0.433 214 T N 2.992 117.663 114.554 0.195 0.000 2.840 214 T HA 0.747 5.097 4.350 0.000 0.000 0.287 214 T C -0.872 174.034 174.700 0.343 0.000 0.991 214 T CA -0.320 61.983 62.100 0.337 0.000 0.964 214 T CB 0.439 69.503 68.868 0.327 0.000 0.954 214 T HN 0.699 nan 8.240 nan 0.000 0.438 215 I N 4.312 124.998 120.570 0.193 0.000 2.460 215 I HA 0.544 4.714 4.170 0.000 0.000 0.298 215 I C -0.938 175.321 176.117 0.237 0.000 0.989 215 I CA -0.942 60.438 61.300 0.133 0.000 1.173 215 I CB 1.722 39.539 38.000 -0.304 0.000 1.338 215 I HN 0.594 nan 8.210 nan 0.000 0.456 216 W N 6.762 128.097 121.300 0.060 0.000 2.391 216 W HA 0.324 4.983 4.660 -0.000 0.000 0.312 216 W C -1.145 175.364 176.519 -0.016 0.000 1.003 216 W CA -0.658 56.606 57.345 -0.136 0.000 1.375 216 W CB 0.514 29.664 29.460 -0.516 0.000 1.253 216 W HN 0.458 nan 8.180 nan 0.000 0.416 217 H N 5.226 124.493 119.070 0.328 0.000 2.519 217 H HA 0.195 4.751 4.556 0.000 0.000 0.316 217 H C -0.649 174.776 175.328 0.162 0.000 1.065 217 H CA 0.108 56.282 56.048 0.210 0.000 1.264 217 H CB 1.433 31.367 29.762 0.286 0.000 1.413 217 H HN 0.361 nan 8.280 nan 0.000 0.465 218 Q N 4.063 123.847 119.800 -0.028 0.000 2.430 218 Q HA 0.113 4.454 4.340 0.000 0.000 0.245 218 Q C 0.272 176.353 176.000 0.136 0.000 1.021 218 Q CA -0.325 55.493 55.803 0.025 0.000 0.867 218 Q CB 0.900 29.530 28.738 -0.181 0.000 1.210 218 Q HN 0.811 nan 8.270 nan 0.000 0.487 219 S N 2.241 118.125 115.700 0.306 0.000 2.496 219 S HA 0.246 4.716 4.470 0.000 0.000 0.224 219 S C 0.856 175.563 174.600 0.179 0.000 0.996 219 S CA 0.411 58.788 58.200 0.294 0.000 0.927 219 S CB -0.046 63.301 63.200 0.246 0.000 0.774 219 S HN 0.958 nan 8.310 nan 0.000 0.524 220 G N 1.437 110.333 108.800 0.161 0.000 2.692 220 G HA2 -0.135 3.825 3.960 0.000 0.000 0.686 220 G HA3 -0.135 3.825 3.960 0.000 0.000 0.686 220 G C -0.662 174.312 174.900 0.123 0.000 1.243 220 G CA -0.494 44.694 45.100 0.145 0.000 0.782 220 G HN 0.558 nan 8.290 nan 0.000 0.625 221 K N 0.601 121.061 120.400 0.101 0.000 2.511 221 K HA 0.372 4.692 4.320 0.000 0.000 0.280 221 K C 1.575 178.211 176.600 0.060 0.000 1.008 221 K CA 1.505 57.834 56.287 0.070 0.000 1.050 221 K CB -0.267 32.253 32.500 0.033 0.000 0.889 221 K HN 2.492 nan 8.250 nan 0.000 0.484 222 G N 2.517 111.351 108.800 0.056 0.000 2.143 222 G HA2 -0.241 3.720 3.960 0.000 0.000 0.249 222 G HA3 -0.241 3.720 3.960 0.000 0.000 0.249 222 G C 0.310 175.241 174.900 0.051 0.000 0.981 222 G CA 0.472 45.600 45.100 0.047 0.000 0.665 222 G HN 0.603 nan 8.290 nan 0.000 0.528 223 S N -0.966 114.774 115.700 0.067 0.000 2.733 223 S HA 0.186 4.657 4.470 0.000 0.000 0.247 223 S C 1.484 176.126 174.600 0.069 0.000 1.043 223 S CA 0.722 58.961 58.200 0.065 0.000 1.066 223 S CB 0.549 63.797 63.200 0.079 0.000 1.045 223 S HN 0.529 nan 8.310 nan 0.000 0.586 224 Q N 1.647 121.496 119.800 0.081 0.000 2.061 224 Q HA -0.244 4.096 4.340 0.000 0.000 0.204 224 Q C 1.546 177.585 176.000 0.064 0.000 0.984 224 Q CA 1.776 57.631 55.803 0.087 0.000 0.846 224 Q CB -0.052 28.738 28.738 0.088 0.000 0.902 224 Q HN 0.393 nan 8.270 nan 0.000 0.421 225 Q N -0.111 119.718 119.800 0.049 0.000 2.084 225 Q HA -0.114 4.226 4.340 0.000 0.000 0.202 225 Q C 2.087 178.104 176.000 0.030 0.000 0.978 225 Q CA 1.644 57.469 55.803 0.037 0.000 0.844 225 Q CB -0.530 28.225 28.738 0.029 0.000 0.898 225 Q HN 0.289 nan 8.270 nan 0.000 0.426 226 S N -0.389 115.325 115.700 0.024 0.000 2.348 226 S HA -0.125 4.346 4.470 0.000 0.000 0.221 226 S C 1.938 176.529 174.600 -0.015 0.000 1.033 226 S CA 1.296 59.500 58.200 0.007 0.000 1.010 226 S CB -0.338 62.867 63.200 0.008 0.000 0.891 226 S HN 0.211 nan 8.310 nan 0.000 0.442 227 V N 1.812 121.713 119.914 -0.021 0.000 2.407 227 V HA -0.112 4.009 4.120 0.000 0.000 0.248 227 V C 2.579 178.683 176.094 0.018 0.000 1.055 227 V CA 2.023 64.269 62.300 -0.091 0.000 1.049 227 V CB -0.806 30.929 31.823 -0.146 0.000 0.662 227 V HN 0.525 nan 8.190 nan 0.000 0.455 228 E N -0.213 120.040 120.200 0.088 0.000 2.031 228 E HA -0.277 4.073 4.350 0.000 0.000 0.193 228 E C 2.389 179.057 176.600 0.113 0.000 0.994 228 E CA 1.563 58.050 56.400 0.145 0.000 0.800 228 E CB -0.130 29.622 29.700 0.087 0.000 0.752 228 E HN 0.662 nan 8.360 nan 0.000 0.447 229 Q N -0.085 119.746 119.800 0.051 0.000 2.135 229 Q HA -0.181 4.159 4.340 0.000 0.000 0.204 229 Q C 2.166 178.176 176.000 0.016 0.000 0.981 229 Q CA 1.303 57.125 55.803 0.032 0.000 0.856 229 Q CB -0.169 28.578 28.738 0.014 0.000 0.902 229 Q HN 0.235 nan 8.270 nan 0.000 0.425 230 A N 0.238 123.037 122.820 -0.035 0.000 1.883 230 A HA -0.222 4.098 4.320 0.000 0.000 0.217 230 A C 1.731 179.265 177.584 -0.083 0.000 1.186 230 A CA 1.429 53.405 52.037 -0.101 0.000 0.624 230 A CB -0.921 17.953 19.000 -0.210 0.000 0.822 230 A HN 0.380 nan 8.150 nan 0.000 0.444 231 Y N -0.056 120.244 120.300 -0.000 0.000 2.207 231 Y HA -0.138 4.412 4.550 0.000 0.000 0.287 231 Y C 2.921 178.841 175.900 0.034 0.000 1.156 231 Y CA 0.847 58.970 58.100 0.039 0.000 1.182 231 Y CB -0.663 37.837 38.460 0.067 0.000 0.979 231 Y HN 0.341 nan 8.280 nan 0.000 0.521 232 A N -0.269 122.653 122.820 0.170 0.000 1.898 232 A HA -0.223 4.098 4.320 0.000 0.000 0.216 232 A C 2.134 179.756 177.584 0.063 0.000 1.181 232 A CA 1.711 53.803 52.037 0.092 0.000 0.620 232 A CB -0.674 18.362 19.000 0.059 0.000 0.819 232 A HN 0.507 nan 8.150 nan 0.000 0.442 233 E N -0.365 119.862 120.200 0.046 0.000 2.409 233 E HA 0.020 4.370 4.350 0.000 0.000 0.198 233 E C 1.554 178.172 176.600 0.030 0.000 1.024 233 E CA 0.604 57.020 56.400 0.025 0.000 0.861 233 E CB -0.120 29.584 29.700 0.007 0.000 0.788 233 E HN 0.557 nan 8.360 nan 0.000 0.521 234 A N -0.261 122.590 122.820 0.052 0.000 2.275 234 A HA 0.309 4.630 4.320 0.000 0.000 0.212 234 A C 1.590 179.221 177.584 0.079 0.000 1.201 234 A CA 0.699 52.773 52.037 0.062 0.000 0.843 234 A CB -0.004 19.045 19.000 0.080 0.000 0.873 234 A HN 0.371 nan 8.150 nan 0.000 0.492 235 G N -1.168 107.675 108.800 0.072 0.000 2.141 235 G HA2 -0.198 3.763 3.960 0.000 0.000 0.242 235 G HA3 -0.198 3.763 3.960 0.000 0.000 0.242 235 G C 0.037 174.970 174.900 0.055 0.000 0.982 235 G CA 0.312 45.444 45.100 0.053 0.000 0.662 235 G HN 0.430 nan 8.290 nan 0.000 0.527 236 Q N -0.681 119.181 119.800 0.103 0.000 2.647 236 Q HA 0.269 4.609 4.340 0.000 0.000 0.400 236 Q C -1.862 174.122 176.000 -0.027 0.000 0.959 236 Q CA -1.403 54.427 55.803 0.045 0.000 1.079 236 Q CB 1.376 30.266 28.738 0.253 0.000 1.351 236 Q HN 0.301 nan 8.270 nan 0.000 0.411 237 P HA -0.204 nan 4.420 nan 0.000 0.221 237 P C 1.464 178.687 177.300 -0.127 0.000 1.145 237 P CA 1.189 64.263 63.100 -0.042 0.000 0.795 237 P CB 0.331 32.014 31.700 -0.030 0.000 0.775 238 Q N -0.952 118.703 119.800 -0.241 0.000 2.297 238 Q HA -0.140 4.201 4.340 0.000 0.000 0.204 238 Q C 0.474 176.302 176.000 -0.286 0.000 0.962 238 Q CA 1.241 56.886 55.803 -0.262 0.000 0.879 238 Q CB -1.315 27.260 28.738 -0.272 0.000 0.947 238 Q HN 0.352 nan 8.270 nan 0.000 0.462 239 H N 1.790 120.749 119.070 -0.185 0.000 2.852 239 H HA 0.174 4.730 4.556 0.000 0.000 0.362 239 H C -0.302 174.865 175.328 -0.269 0.000 1.122 239 H CA 0.270 56.152 56.048 -0.277 0.000 1.419 239 H CB 0.525 29.957 29.762 -0.549 0.000 1.401 239 H HN 0.119 nan 8.280 nan 0.000 0.609 240 K N 1.880 122.210 120.400 -0.116 0.000 2.183 240 K HA 0.380 4.700 4.320 0.000 0.000 0.274 240 K C -1.155 175.447 176.600 0.003 0.000 1.009 240 K CA -0.556 55.624 56.287 -0.179 0.000 0.888 240 K CB 0.745 32.942 32.500 -0.505 0.000 1.078 240 K HN 0.229 nan 8.250 nan 0.000 0.459 241 V N 3.441 123.390 119.914 0.058 0.000 2.495 241 V HA 0.392 4.512 4.120 0.000 0.000 0.298 241 V C -0.613 175.601 176.094 0.200 0.000 1.031 241 V CA -0.616 61.802 62.300 0.196 0.000 0.871 241 V CB 1.986 33.908 31.823 0.165 0.000 0.988 241 V HN 0.896 nan 8.190 nan 0.000 0.432 242 T N 3.144 117.867 114.554 0.282 0.000 2.886 242 T HA 0.332 4.682 4.350 0.000 0.000 0.292 242 T C 0.770 175.583 174.700 0.188 0.000 1.012 242 T CA -0.588 61.654 62.100 0.237 0.000 0.982 242 T CB 2.349 71.421 68.868 0.341 0.000 1.018 242 T HN 0.714 nan 8.240 nan 0.000 0.451 243 E N 1.148 121.449 120.200 0.168 0.000 2.028 243 E HA 0.013 4.363 4.350 0.000 0.000 0.191 243 E C -0.200 176.539 176.600 0.232 0.000 0.988 243 E CA 1.169 57.675 56.400 0.176 0.000 0.799 243 E CB 0.254 30.045 29.700 0.152 0.000 0.755 243 E HN 0.464 nan 8.360 nan 0.000 0.447 244 F N 0.105 120.074 119.950 0.032 0.000 2.588 244 F HA 0.337 4.864 4.527 0.000 0.000 0.318 244 F C -1.356 174.429 175.800 -0.025 0.000 1.155 244 F CA -0.733 57.262 58.000 -0.009 0.000 0.967 244 F CB 1.156 40.153 39.000 -0.005 0.000 1.236 244 F HN -0.255 nan 8.300 nan 0.000 0.455 245 I N 6.595 126.765 120.570 -0.666 0.000 2.322 245 I HA 0.158 4.328 4.170 0.000 0.000 0.292 245 I C 0.338 176.103 176.117 -0.587 0.000 1.060 245 I CA -0.181 60.807 61.300 -0.521 0.000 1.309 245 I CB 0.813 38.408 38.000 -0.675 0.000 1.415 245 I HN 0.605 nan 8.210 nan 0.000 0.492 246 D N 3.485 123.776 120.400 -0.180 0.000 2.149 246 D HA -0.124 4.516 4.640 0.000 0.000 0.201 246 D C 0.757 176.990 176.300 -0.112 0.000 0.972 246 D CA 1.334 55.307 54.000 -0.046 0.000 0.835 246 D CB 0.157 41.005 40.800 0.081 0.000 0.966 246 D HN 0.504 nan 8.370 nan 0.000 0.476 247 D N 0.608 120.938 120.400 -0.117 0.000 2.896 247 D HA 0.042 4.683 4.640 0.000 0.000 0.240 247 D C 1.282 177.449 176.300 -0.221 0.000 1.193 247 D CA -0.258 53.680 54.000 -0.104 0.000 0.983 247 D CB 0.411 41.199 40.800 -0.020 0.000 1.074 247 D HN -0.147 nan 8.370 nan 0.000 0.496 248 M N 1.655 121.066 119.600 -0.314 0.000 2.106 248 M HA -0.186 4.295 4.480 0.000 0.000 0.259 248 M C 1.847 177.893 176.300 -0.424 0.000 1.068 248 M CA 1.513 56.511 55.300 -0.504 0.000 1.100 248 M CB -0.360 31.950 32.600 -0.485 0.000 1.351 248 M HN 0.274 nan 8.290 nan 0.000 0.404 249 A N -0.605 122.136 122.820 -0.133 0.000 1.877 249 A HA -0.010 4.310 4.320 0.000 0.000 0.216 249 A C 2.366 179.986 177.584 0.060 0.000 1.186 249 A CA 2.240 54.311 52.037 0.057 0.000 0.620 249 A CB -1.458 17.582 19.000 0.067 0.000 0.822 249 A HN 0.615 nan 8.150 nan 0.000 0.443 250 A N -0.247 122.583 122.820 0.017 0.000 1.933 250 A HA 0.147 4.468 4.320 0.000 0.000 0.218 250 A C 2.484 180.137 177.584 0.114 0.000 1.175 250 A CA 2.116 54.203 52.037 0.085 0.000 0.628 250 A CB -0.967 18.086 19.000 0.089 0.000 0.814 250 A HN 1.083 nan 8.150 nan 0.000 0.444 251 A N -1.385 121.377 122.820 -0.097 0.000 1.902 251 A HA -0.105 4.215 4.320 0.000 0.000 0.217 251 A C 2.108 179.725 177.584 0.055 0.000 1.181 251 A CA 1.438 53.334 52.037 -0.235 0.000 0.623 251 A CB -0.815 17.662 19.000 -0.872 0.000 0.818 251 A HN 0.663 nan 8.150 nan 0.000 0.443 252 Y N -0.437 119.862 120.300 -0.003 0.000 2.200 252 Y HA -0.149 4.402 4.550 0.001 0.000 0.290 252 Y C 2.926 178.874 175.900 0.080 0.000 1.137 252 Y CA 0.556 58.672 58.100 0.026 0.000 1.163 252 Y CB -0.140 38.311 38.460 -0.016 0.000 0.988 252 Y HN 0.376 nan 8.280 nan 0.000 0.518 253 A N -0.651 122.327 122.820 0.262 0.000 2.015 253 A HA -0.236 4.084 4.320 0.000 0.000 0.219 253 A C 1.808 179.523 177.584 0.219 0.000 1.163 253 A CA 1.353 53.503 52.037 0.189 0.000 0.646 253 A CB -1.127 17.965 19.000 0.154 0.000 0.806 253 A HN 0.792 nan 8.150 nan 0.000 0.448 254 W N 0.833 122.193 121.300 0.100 0.000 2.476 254 W HA 0.357 5.018 4.660 0.002 0.000 0.281 254 W C 1.089 177.668 176.519 0.099 0.000 1.230 254 W CA 0.443 57.856 57.345 0.114 0.000 1.287 254 W CB -0.178 29.398 29.460 0.194 0.000 1.108 254 W HN 0.320 nan 8.180 nan 0.000 0.567 255 A N 1.484 124.387 122.820 0.139 0.000 2.425 255 A HA 0.073 4.393 4.320 0.000 0.000 0.242 255 A C 0.825 178.279 177.584 -0.217 0.000 1.077 255 A CA 0.653 52.600 52.037 -0.151 0.000 0.781 255 A CB 0.212 19.307 19.000 0.157 0.000 1.020 255 A HN 0.363 nan 8.150 nan 0.000 0.494 256 D N -0.516 119.721 120.400 -0.272 0.000 2.394 256 D HA 0.202 4.842 4.640 0.000 0.000 0.226 256 D C 0.179 176.405 176.300 -0.124 0.000 0.990 256 D CA 1.101 54.989 54.000 -0.187 0.000 0.902 256 D CB 0.831 41.520 40.800 -0.185 0.000 1.038 256 D HN 0.315 nan 8.370 nan 0.000 0.499 257 V N 0.226 120.088 119.914 -0.087 0.000 3.178 257 V HA 0.469 4.589 4.120 0.000 0.000 0.302 257 V C -1.763 174.327 176.094 -0.006 0.000 1.262 257 V CA -0.683 61.585 62.300 -0.054 0.000 1.030 257 V CB 2.602 34.442 31.823 0.028 0.000 1.074 257 V HN -0.219 nan 8.190 nan 0.000 0.438 258 V N 4.450 124.341 119.914 -0.038 0.000 2.588 258 V HA 0.601 4.721 4.120 0.000 0.000 0.304 258 V C -0.586 175.476 176.094 -0.052 0.000 1.042 258 V CA -0.642 61.649 62.300 -0.015 0.000 0.877 258 V CB 1.787 33.606 31.823 -0.006 0.000 0.996 258 V HN 0.666 nan 8.190 nan 0.000 0.425 259 V N 4.204 124.115 119.914 -0.005 0.000 2.384 259 V HA 0.757 4.877 4.120 0.000 0.000 0.287 259 V C -0.032 176.066 176.094 0.007 0.000 1.020 259 V CA -0.248 62.050 62.300 -0.003 0.000 0.850 259 V CB 1.085 32.925 31.823 0.028 0.000 0.987 259 V HN 1.229 nan 8.190 nan 0.000 0.436 260 C N 3.854 123.182 119.300 0.046 0.000 3.231 260 C HA 0.617 5.077 4.460 0.000 0.000 0.343 260 C C -0.416 174.698 174.990 0.206 0.000 1.349 260 C CA -1.292 57.788 59.018 0.103 0.000 1.209 260 C CB 1.620 29.428 27.740 0.113 0.000 1.475 260 C HN 0.775 nan 8.230 nan 0.000 0.460 261 R N 1.296 121.896 120.500 0.168 0.000 2.801 261 R HA 0.460 4.800 4.340 0.000 0.000 0.273 261 R C 0.457 176.870 176.300 0.189 0.000 1.080 261 R CA 0.698 56.902 56.100 0.173 0.000 1.197 261 R CB 0.415 30.785 30.300 0.117 0.000 1.109 261 R HN 1.056 nan 8.270 nan 0.000 0.535 262 S N -0.916 114.830 115.700 0.078 0.000 2.143 262 S HA 0.258 4.728 4.470 0.000 0.000 0.188 262 S C 0.428 174.966 174.600 -0.103 0.000 1.431 262 S CA -0.778 57.352 58.200 -0.117 0.000 1.253 262 S CB 0.812 63.726 63.200 -0.477 0.000 1.137 262 S HN 0.741 nan 8.310 nan 0.000 0.457 263 G N 0.798 109.590 108.800 -0.012 0.000 2.594 263 G HA2 0.473 4.433 3.960 0.000 0.000 0.243 263 G HA3 0.473 4.433 3.960 0.000 0.000 0.243 263 G C 1.046 175.957 174.900 0.019 0.000 1.229 263 G CA -0.346 44.757 45.100 0.005 0.000 0.843 263 G HN 0.692 nan 8.290 nan 0.000 0.578 264 A N 1.333 124.199 122.820 0.075 0.000 1.873 264 A HA -0.110 4.210 4.320 0.000 0.000 0.218 264 A C 2.443 180.155 177.584 0.214 0.000 1.193 264 A CA 1.643 53.807 52.037 0.212 0.000 0.629 264 A CB -0.541 18.617 19.000 0.264 0.000 0.826 264 A HN 0.605 nan 8.150 nan 0.000 0.447 265 L N -0.954 120.354 121.223 0.142 0.000 2.046 265 L HA -0.170 4.170 4.340 0.000 0.000 0.208 265 L C 2.806 179.747 176.870 0.119 0.000 1.077 265 L CA 1.796 56.711 54.840 0.125 0.000 0.747 265 L CB -1.234 40.892 42.059 0.113 0.000 0.896 265 L HN 0.358 nan 8.230 nan 0.000 0.432 266 T N -0.182 114.442 114.554 0.118 0.000 2.699 266 T HA -0.181 4.170 4.350 0.000 0.000 0.268 266 T C 2.034 176.809 174.700 0.126 0.000 1.036 266 T CA 1.506 63.694 62.100 0.147 0.000 1.147 266 T CB -0.315 68.645 68.868 0.154 0.000 0.862 266 T HN 0.066 nan 8.240 nan 0.000 0.446 267 V N 1.331 121.291 119.914 0.076 0.000 2.255 267 V HA -0.199 3.922 4.120 0.000 0.000 0.247 267 V C 2.729 178.885 176.094 0.103 0.000 1.051 267 V CA 2.037 64.346 62.300 0.016 0.000 1.018 267 V CB -0.915 30.808 31.823 -0.167 0.000 0.641 267 V HN 0.434 nan 8.190 nan 0.000 0.445 268 S N -0.730 115.072 115.700 0.170 0.000 2.370 268 S HA -0.248 4.223 4.470 0.000 0.000 0.226 268 S C 1.929 176.548 174.600 0.031 0.000 1.033 268 S CA 1.799 60.075 58.200 0.127 0.000 1.011 268 S CB -0.309 62.949 63.200 0.097 0.000 0.852 268 S HN 0.695 nan 8.310 nan 0.000 0.457 269 E N 0.679 120.884 120.200 0.008 0.000 2.051 269 E HA -0.095 4.255 4.350 0.000 0.000 0.192 269 E C 2.021 178.463 176.600 -0.264 0.000 0.991 269 E CA 1.070 57.415 56.400 -0.091 0.000 0.799 269 E CB -0.252 29.436 29.700 -0.020 0.000 0.748 269 E HN 0.438 nan 8.360 nan 0.000 0.449 270 I N 1.061 121.483 120.570 -0.246 0.000 2.163 270 I HA -0.332 3.838 4.170 0.000 0.000 0.243 270 I C 2.495 178.520 176.117 -0.153 0.000 1.085 270 I CA 1.077 62.211 61.300 -0.276 0.000 1.347 270 I CB -0.291 37.691 38.000 -0.029 0.000 1.044 270 I HN 0.126 nan 8.210 nan 0.000 0.408 271 A N 0.631 123.422 122.820 -0.048 0.000 1.851 271 A HA -0.226 4.094 4.320 0.000 0.000 0.216 271 A C 2.531 180.082 177.584 -0.056 0.000 1.195 271 A CA 2.071 54.094 52.037 -0.023 0.000 0.622 271 A CB -1.065 17.954 19.000 0.032 0.000 0.831 271 A HN 0.445 nan 8.150 nan 0.000 0.444 272 A N -0.436 122.348 122.820 -0.060 0.000 1.978 272 A HA 0.155 4.475 4.320 0.000 0.000 0.220 272 A C 2.376 179.910 177.584 -0.083 0.000 1.170 272 A CA 2.072 54.074 52.037 -0.059 0.000 0.636 272 A CB -0.849 18.122 19.000 -0.047 0.000 0.810 272 A HN 1.149 nan 8.150 nan 0.000 0.448 273 A N -1.424 121.309 122.820 -0.146 0.000 2.119 273 A HA 0.391 4.711 4.320 0.000 0.000 0.216 273 A C 1.713 179.226 177.584 -0.118 0.000 1.152 273 A CA 1.186 53.130 52.037 -0.156 0.000 0.708 273 A CB -1.048 17.766 19.000 -0.311 0.000 0.805 273 A HN 1.995 nan 8.150 nan 0.000 0.460 274 G N -0.844 107.889 108.800 -0.112 0.000 2.353 274 G HA2 -0.166 3.794 3.960 0.000 0.000 0.294 274 G HA3 -0.166 3.794 3.960 0.000 0.000 0.294 274 G C -0.360 174.473 174.900 -0.113 0.000 1.077 274 G CA 0.386 45.429 45.100 -0.095 0.000 1.098 274 G HN 0.524 nan 8.290 nan 0.000 0.511 275 L N 0.584 121.723 121.223 -0.139 0.000 2.385 275 L HA 0.477 4.817 4.340 0.000 0.000 0.273 275 L C -2.115 174.644 176.870 -0.186 0.000 0.990 275 L CA -2.483 52.268 54.840 -0.149 0.000 0.821 275 L CB 2.634 44.606 42.059 -0.146 0.000 1.279 275 L HN -0.026 nan 8.230 nan 0.000 0.412 276 P HA 0.188 nan 4.420 nan 0.000 0.268 276 P C -1.184 175.898 177.300 -0.363 0.000 1.205 276 P CA -0.043 62.844 63.100 -0.354 0.000 0.771 276 P CB 0.919 32.363 31.700 -0.427 0.000 0.858 277 A N 3.271 125.811 122.820 -0.467 0.000 2.498 277 A HA 0.717 5.037 4.320 0.000 0.000 0.298 277 A C -1.551 175.736 177.584 -0.495 0.000 1.075 277 A CA -0.726 50.954 52.037 -0.596 0.000 0.714 277 A CB 1.209 19.541 19.000 -1.115 0.000 1.299 277 A HN 0.581 nan 8.150 nan 0.000 0.407 278 L N 2.076 123.073 121.223 -0.377 0.000 2.388 278 L HA 0.582 4.922 4.340 0.000 0.000 0.267 278 L C -1.764 174.976 176.870 -0.216 0.000 0.995 278 L CA -0.480 54.317 54.840 -0.072 0.000 0.864 278 L CB 0.356 42.504 42.059 0.149 0.000 1.216 278 L HN 0.731 nan 8.230 nan 0.000 0.430 279 F N 4.150 124.140 119.950 0.067 0.000 2.420 279 F HA 0.301 4.828 4.527 0.000 0.000 0.352 279 F C 0.468 176.292 175.800 0.040 0.000 1.108 279 F CA -0.659 57.359 58.000 0.031 0.000 1.162 279 F CB 1.616 40.604 39.000 -0.020 0.000 1.118 279 F HN 0.069 nan 8.300 nan 0.000 0.510 280 V N 5.476 125.538 119.914 0.247 0.000 2.204 280 V HA 0.222 4.342 4.120 0.000 0.000 0.264 280 V C -2.243 173.953 176.094 0.171 0.000 1.106 280 V CA -2.031 60.367 62.300 0.163 0.000 0.947 280 V CB 0.209 32.105 31.823 0.122 0.000 1.164 280 V HN 0.517 nan 8.190 nan 0.000 0.461 281 P HA -0.059 nan 4.420 nan 0.000 0.264 281 P C -0.202 177.203 177.300 0.176 0.000 1.183 281 P CA 0.063 63.248 63.100 0.141 0.000 0.763 281 P CB 0.273 32.041 31.700 0.113 0.000 0.807 282 F N 3.215 123.199 119.950 0.057 0.000 2.563 282 F HA 0.043 4.571 4.527 0.001 0.000 0.363 282 F C 0.853 176.704 175.800 0.084 0.000 1.123 282 F CA -0.062 57.978 58.000 0.067 0.000 1.307 282 F CB 0.302 39.339 39.000 0.063 0.000 1.115 282 F HN 0.275 nan 8.300 nan 0.000 0.592 283 Q N 6.253 125.634 119.800 -0.699 0.000 2.307 283 Q HA 0.178 4.519 4.340 0.000 0.000 0.259 283 Q C -1.240 174.408 176.000 -0.587 0.000 0.998 283 Q CA -0.118 55.378 55.803 -0.512 0.000 0.923 283 Q CB 0.203 28.721 28.738 -0.367 0.000 1.196 283 Q HN 0.802 nan 8.270 nan 0.000 0.416 284 H N 2.932 121.818 119.070 -0.306 0.000 3.068 284 H HA 0.081 4.637 4.556 0.000 0.000 0.342 284 H C -0.276 175.028 175.328 -0.040 0.000 1.284 284 H CA -0.293 55.671 56.048 -0.140 0.000 1.181 284 H CB 1.270 31.041 29.762 0.015 0.000 1.898 284 H HN 0.764 nan 8.280 nan 0.000 0.540 285 K N 1.173 121.392 120.400 -0.302 0.000 2.281 285 K HA -0.103 4.217 4.320 0.000 0.000 0.203 285 K C 0.177 176.906 176.600 0.214 0.000 1.046 285 K CA 1.727 57.977 56.287 -0.061 0.000 0.938 285 K CB 0.288 32.687 32.500 -0.168 0.000 0.737 285 K HN 0.278 nan 8.250 nan 0.000 0.458 286 D N 1.090 121.855 120.400 0.609 0.000 2.354 286 D HA 0.042 4.682 4.640 0.000 0.000 0.209 286 D C 0.027 176.548 176.300 0.367 0.000 1.015 286 D CA 0.122 54.353 54.000 0.385 0.000 0.867 286 D CB 0.172 41.125 40.800 0.256 0.000 0.933 286 D HN 0.184 nan 8.370 nan 0.000 0.520 287 R N 0.699 121.385 120.500 0.311 0.000 3.627 287 R HA -0.257 4.083 4.340 0.000 0.000 0.281 287 R C 1.484 177.984 176.300 0.333 0.000 1.140 287 R CA 0.581 56.819 56.100 0.231 0.000 0.761 287 R CB -1.856 28.494 30.300 0.084 0.000 1.181 287 R HN 0.342 nan 8.270 nan 0.000 0.472 288 Q N 1.173 121.141 119.800 0.280 0.000 2.029 288 Q HA -0.329 4.011 4.340 0.000 0.000 0.209 288 Q C 1.832 177.920 176.000 0.147 0.000 0.999 288 Q CA 2.353 58.294 55.803 0.231 0.000 0.857 288 Q CB -0.035 28.755 28.738 0.086 0.000 0.926 288 Q HN 0.598 nan 8.270 nan 0.000 0.415 289 Q N -0.824 119.038 119.800 0.103 0.000 2.112 289 Q HA -0.238 4.102 4.340 0.000 0.000 0.206 289 Q C 1.875 177.813 176.000 -0.104 0.000 0.987 289 Q CA 2.140 57.951 55.803 0.014 0.000 0.858 289 Q CB -0.396 28.407 28.738 0.107 0.000 0.905 289 Q HN 0.587 nan 8.270 nan 0.000 0.420 290 Y N -1.258 118.944 120.300 -0.164 0.000 2.181 290 Y HA -0.247 4.303 4.550 0.000 0.000 0.288 290 Y C 1.214 176.856 175.900 -0.431 0.000 1.146 290 Y CA 1.833 59.731 58.100 -0.336 0.000 1.164 290 Y CB -0.373 37.805 38.460 -0.470 0.000 0.982 290 Y HN 0.210 nan 8.280 nan 0.000 0.515 291 W N 0.699 121.877 121.300 -0.203 0.000 2.519 291 W HA -0.100 4.560 4.660 0.000 0.000 0.266 291 W C 1.950 178.180 176.519 -0.483 0.000 1.253 291 W CA 0.681 57.854 57.345 -0.286 0.000 1.274 291 W CB -0.277 29.148 29.460 -0.058 0.000 1.114 291 W HN 0.050 nan 8.180 nan 0.000 0.596 292 N N 0.315 118.794 118.700 -0.369 0.000 2.331 292 N HA -0.076 4.664 4.740 0.000 0.000 0.180 292 N C 1.655 176.576 175.510 -0.981 0.000 1.019 292 N CA 1.603 54.162 53.050 -0.819 0.000 0.881 292 N CB -0.687 37.495 38.487 -0.508 0.000 0.972 292 N HN 0.140 nan 8.380 nan 0.000 0.435 293 A N 0.743 123.087 122.820 -0.793 0.000 2.147 293 A HA 0.135 4.455 4.320 0.000 0.000 0.211 293 A C 1.989 179.255 177.584 -0.531 0.000 1.160 293 A CA -0.087 51.456 52.037 -0.825 0.000 0.781 293 A CB -0.186 18.234 19.000 -0.967 0.000 0.842 293 A HN 0.112 nan 8.150 nan 0.000 0.475 294 L N 0.706 121.586 121.223 -0.572 0.000 1.997 294 L HA -0.140 4.201 4.340 0.000 0.000 0.216 294 L C -0.629 176.129 176.870 -0.187 0.000 1.074 294 L CA 2.810 57.410 54.840 -0.401 0.000 0.763 294 L CB -1.865 39.988 42.059 -0.344 0.000 0.890 294 L HN 0.171 nan 8.230 nan 0.000 0.434 295 P HA -0.205 nan 4.420 nan 0.000 0.215 295 P C 2.198 179.481 177.300 -0.027 0.000 1.163 295 P CA 1.487 64.560 63.100 -0.045 0.000 0.894 295 P CB -0.023 31.685 31.700 0.015 0.000 0.791 296 L N -0.791 120.409 121.223 -0.038 0.000 2.131 296 L HA -0.198 4.142 4.340 0.000 0.000 0.210 296 L C 2.625 179.514 176.870 0.032 0.000 1.092 296 L CA 1.525 56.383 54.840 0.031 0.000 0.759 296 L CB -0.744 41.396 42.059 0.136 0.000 0.903 296 L HN 0.093 nan 8.230 nan 0.000 0.435 297 E N 0.818 121.028 120.200 0.018 0.000 2.016 297 E HA -0.282 4.069 4.350 0.000 0.000 0.190 297 E C 2.188 178.792 176.600 0.007 0.000 0.985 297 E CA 1.165 57.578 56.400 0.021 0.000 0.802 297 E CB 0.026 29.730 29.700 0.005 0.000 0.762 297 E HN 0.238 nan 8.360 nan 0.000 0.448 298 K N -0.040 120.357 120.400 -0.005 0.000 2.286 298 K HA -0.115 4.205 4.320 0.000 0.000 0.203 298 K C 1.527 178.133 176.600 0.011 0.000 1.045 298 K CA 1.180 57.473 56.287 0.010 0.000 0.935 298 K CB -0.120 32.390 32.500 0.016 0.000 0.737 298 K HN 0.196 nan 8.250 nan 0.000 0.460 299 A N -0.064 122.759 122.820 0.005 0.000 2.251 299 A HA 0.244 4.564 4.320 0.000 0.000 0.209 299 A C 1.104 178.682 177.584 -0.011 0.000 1.187 299 A CA 0.512 52.550 52.037 0.001 0.000 0.823 299 A CB -0.327 18.675 19.000 0.002 0.000 0.846 299 A HN 0.453 nan 8.150 nan 0.000 0.486 300 G N -1.801 106.993 108.800 -0.011 0.000 2.246 300 G HA2 -0.019 3.941 3.960 0.000 0.000 0.273 300 G HA3 -0.019 3.941 3.960 0.000 0.000 0.273 300 G C 0.725 175.583 174.900 -0.069 0.000 1.055 300 G CA 0.490 45.575 45.100 -0.025 0.000 0.851 300 G HN 1.482 nan 8.290 nan 0.000 0.500 301 A N -1.807 120.969 122.820 -0.073 0.000 2.382 301 A HA 0.909 5.229 4.320 0.000 0.000 0.228 301 A C 1.177 178.646 177.584 -0.192 0.000 1.217 301 A CA 1.519 53.478 52.037 -0.130 0.000 0.923 301 A CB 0.361 19.311 19.000 -0.083 0.000 0.979 301 A HN 2.238 nan 8.150 nan 0.000 0.515 302 A N -0.552 122.196 122.820 -0.120 0.000 2.534 302 A HA 0.773 5.094 4.320 0.000 0.000 0.300 302 A C -1.018 176.578 177.584 0.020 0.000 1.223 302 A CA -0.465 51.491 52.037 -0.136 0.000 0.666 302 A CB 0.881 19.840 19.000 -0.067 0.000 1.316 302 A HN 0.198 nan 8.150 nan 0.000 0.468 303 K N 0.336 120.801 120.400 0.107 0.000 2.525 303 K HA 0.662 4.982 4.320 0.000 0.000 0.254 303 K C -1.889 174.821 176.600 0.184 0.000 0.934 303 K CA -0.461 55.938 56.287 0.188 0.000 0.802 303 K CB 1.415 34.106 32.500 0.318 0.000 1.295 303 K HN 0.632 nan 8.250 nan 0.000 0.433 304 I N 4.599 125.267 120.570 0.164 0.000 2.498 304 I HA 0.443 4.614 4.170 0.000 0.000 0.301 304 I C -0.223 175.974 176.117 0.132 0.000 0.984 304 I CA -0.986 60.418 61.300 0.174 0.000 1.204 304 I CB 1.552 39.630 38.000 0.129 0.000 1.362 304 I HN 0.461 nan 8.210 nan 0.000 0.471 305 I N 4.695 125.339 120.570 0.124 0.000 2.540 305 I HA 0.235 4.405 4.170 0.000 0.000 0.280 305 I C -0.160 175.999 176.117 0.070 0.000 1.083 305 I CA -0.448 60.898 61.300 0.076 0.000 1.080 305 I CB 1.177 39.208 38.000 0.050 0.000 1.205 305 I HN 0.643 nan 8.210 nan 0.000 0.459 306 E N 3.565 123.794 120.200 0.048 0.000 2.405 306 E HA 0.103 4.453 4.350 0.000 0.000 0.253 306 E C 0.346 176.944 176.600 -0.004 0.000 1.257 306 E CA -0.489 55.922 56.400 0.019 0.000 0.960 306 E CB 0.878 30.557 29.700 -0.035 0.000 1.077 306 E HN 0.416 nan 8.360 nan 0.000 0.512 307 Q N 0.200 119.986 119.800 -0.024 0.000 2.152 307 Q HA -0.144 4.197 4.340 0.000 0.000 0.206 307 Q C -0.883 175.098 176.000 -0.032 0.000 0.985 307 Q CA 2.043 57.829 55.803 -0.029 0.000 0.863 307 Q CB -1.288 27.419 28.738 -0.052 0.000 0.904 307 Q HN 0.373 nan 8.270 nan 0.000 0.422 308 P HA -0.189 nan 4.420 nan 0.000 0.216 308 P C 0.374 177.655 177.300 -0.031 0.000 1.154 308 P CA 1.511 64.586 63.100 -0.042 0.000 0.865 308 P CB 0.051 31.717 31.700 -0.056 0.000 0.789 309 Q N -1.702 118.083 119.800 -0.025 0.000 2.198 309 Q HA 0.157 4.497 4.340 0.000 0.000 0.209 309 Q C -0.003 175.989 176.000 -0.013 0.000 0.848 309 Q CA -0.378 55.414 55.803 -0.019 0.000 0.974 309 Q CB 0.248 28.976 28.738 -0.017 0.000 1.115 309 Q HN 0.186 nan 8.270 nan 0.000 0.494 310 L N 2.418 123.636 121.223 -0.009 0.000 2.315 310 L HA 0.275 4.616 4.340 0.000 0.000 0.283 310 L C -0.298 176.569 176.870 -0.006 0.000 1.089 310 L CA 0.773 55.612 54.840 -0.002 0.000 0.833 310 L CB 0.338 42.402 42.059 0.009 0.000 1.170 310 L HN 0.119 nan 8.230 nan 0.000 0.442 311 S N 3.001 118.696 115.700 -0.008 0.000 2.570 311 S HA 0.356 4.826 4.470 0.000 0.000 0.270 311 S C 0.720 175.313 174.600 -0.012 0.000 1.149 311 S CA -0.646 57.548 58.200 -0.010 0.000 0.837 311 S CB 1.614 64.805 63.200 -0.016 0.000 1.124 311 S HN 0.225 nan 8.310 nan 0.000 0.465 312 V N 1.449 121.357 119.914 -0.010 0.000 2.324 312 V HA -0.210 3.910 4.120 0.000 0.000 0.250 312 V C 1.959 178.042 176.094 -0.018 0.000 1.060 312 V CA 2.740 65.035 62.300 -0.009 0.000 1.042 312 V CB -1.146 30.672 31.823 -0.007 0.000 0.650 312 V HN 0.941 nan 8.190 nan 0.000 0.450 313 D N 0.411 120.797 120.400 -0.023 0.000 2.103 313 D HA -0.048 4.593 4.640 0.000 0.000 0.199 313 D C 2.199 178.469 176.300 -0.050 0.000 0.978 313 D CA 1.340 55.320 54.000 -0.033 0.000 0.829 313 D CB -0.438 40.344 40.800 -0.029 0.000 0.981 313 D HN 0.425 nan 8.370 nan 0.000 0.464 314 A N 0.479 123.270 122.820 -0.047 0.000 1.978 314 A HA -0.153 4.167 4.320 0.000 0.000 0.220 314 A C 2.320 179.852 177.584 -0.086 0.000 1.170 314 A CA 1.107 53.106 52.037 -0.063 0.000 0.636 314 A CB -0.790 18.183 19.000 -0.045 0.000 0.810 314 A HN 0.153 nan 8.150 nan 0.000 0.448 315 V N -0.496 119.380 119.914 -0.064 0.000 2.255 315 V HA -0.177 3.943 4.120 0.000 0.000 0.243 315 V C 3.071 179.106 176.094 -0.098 0.000 1.038 315 V CA 1.908 64.166 62.300 -0.069 0.000 1.008 315 V CB -1.097 30.712 31.823 -0.024 0.000 0.645 315 V HN 0.603 nan 8.190 nan 0.000 0.449 316 A N 0.022 122.801 122.820 -0.068 0.000 1.940 316 A HA -0.261 4.059 4.320 0.000 0.000 0.219 316 A C 1.982 179.498 177.584 -0.114 0.000 1.176 316 A CA 2.320 54.316 52.037 -0.069 0.000 0.631 316 A CB -0.808 18.171 19.000 -0.036 0.000 0.814 316 A HN 0.619 nan 8.150 nan 0.000 0.446 317 N N -0.381 118.245 118.700 -0.122 0.000 2.084 317 N HA -0.100 4.640 4.740 0.000 0.000 0.190 317 N C 1.737 177.096 175.510 -0.252 0.000 1.030 317 N CA 2.077 55.039 53.050 -0.148 0.000 0.849 317 N CB -0.603 37.813 38.487 -0.118 0.000 1.012 317 N HN 0.463 nan 8.380 nan 0.000 0.423 318 T N 1.047 115.404 114.554 -0.328 0.000 2.788 318 T HA -0.027 4.324 4.350 0.000 0.000 0.268 318 T C 1.906 176.068 174.700 -0.898 0.000 1.044 318 T CA 0.725 62.456 62.100 -0.616 0.000 1.139 318 T CB -0.226 68.297 68.868 -0.575 0.000 0.867 318 T HN 0.141 nan 8.240 nan 0.000 0.454 319 L N 0.756 121.666 121.223 -0.521 0.000 2.027 319 L HA -0.002 4.338 4.340 0.000 0.000 0.206 319 L C 3.075 179.821 176.870 -0.207 0.000 1.074 319 L CA 1.174 55.817 54.840 -0.328 0.000 0.745 319 L CB -0.776 41.213 42.059 -0.116 0.000 0.898 319 L HN 0.232 nan 8.230 nan 0.000 0.433 320 A N 0.289 123.004 122.820 -0.174 0.000 2.131 320 A HA -0.106 4.215 4.320 0.000 0.000 0.220 320 A C 2.213 179.738 177.584 -0.099 0.000 1.158 320 A CA 1.610 53.588 52.037 -0.099 0.000 0.665 320 A CB -0.875 18.077 19.000 -0.081 0.000 0.795 320 A HN 0.482 nan 8.150 nan 0.000 0.460 321 G N -2.506 106.173 108.800 -0.201 0.000 2.838 321 G HA2 0.123 4.083 3.960 0.000 0.000 0.210 321 G HA3 0.123 4.083 3.960 0.000 0.000 0.210 321 G C 0.095 175.000 174.900 0.009 0.000 1.153 321 G CA -0.324 44.692 45.100 -0.141 0.000 0.778 321 G HN 0.432 nan 8.290 nan 0.000 0.539 322 W N 3.078 124.363 121.300 -0.026 0.000 2.367 322 W HA 0.515 5.175 4.660 0.000 0.000 0.329 322 W C 0.727 177.226 176.519 -0.033 0.000 1.066 322 W CA -1.726 55.599 57.345 -0.032 0.000 1.435 322 W CB -0.171 29.264 29.460 -0.042 0.000 1.296 322 W HN 0.095 nan 8.180 nan 0.000 0.401 323 S N 2.445 118.252 115.700 0.178 0.000 2.608 323 S HA 0.266 4.737 4.470 0.000 0.000 0.261 323 S C 1.256 175.888 174.600 0.055 0.000 1.314 323 S CA -0.284 57.968 58.200 0.087 0.000 0.992 323 S CB 1.411 64.644 63.200 0.056 0.000 0.935 323 S HN 0.531 nan 8.310 nan 0.000 0.564 324 R N 0.208 120.720 120.500 0.020 0.000 2.237 324 R HA -0.057 4.283 4.340 0.000 0.000 0.219 324 R C 2.318 178.605 176.300 -0.021 0.000 1.080 324 R CA 1.309 57.403 56.100 -0.010 0.000 0.995 324 R CB -0.241 30.047 30.300 -0.019 0.000 0.875 324 R HN 0.901 nan 8.270 nan 0.000 0.462 325 E N -0.002 120.194 120.200 -0.007 0.000 2.028 325 E HA -0.128 4.222 4.350 0.000 0.000 0.190 325 E C 1.243 177.827 176.600 -0.028 0.000 0.984 325 E CA 1.538 57.930 56.400 -0.014 0.000 0.800 325 E CB 0.161 29.861 29.700 -0.001 0.000 0.758 325 E HN 0.138 nan 8.360 nan 0.000 0.448 326 T N 2.120 116.666 114.554 -0.014 0.000 2.652 326 T HA -0.158 4.193 4.350 0.000 0.000 0.267 326 T C 2.000 176.621 174.700 -0.132 0.000 1.039 326 T CA 1.422 63.495 62.100 -0.045 0.000 1.153 326 T CB -0.372 68.508 68.868 0.020 0.000 0.863 326 T HN 0.144 nan 8.240 nan 0.000 0.428 327 L N 0.932 122.075 121.223 -0.134 0.000 2.021 327 L HA -0.125 4.215 4.340 0.000 0.000 0.215 327 L C 2.640 179.415 176.870 -0.159 0.000 1.074 327 L CA 1.118 55.841 54.840 -0.195 0.000 0.760 327 L CB -0.750 41.233 42.059 -0.126 0.000 0.889 327 L HN 0.267 nan 8.230 nan 0.000 0.433 328 L N -0.359 120.802 121.223 -0.105 0.000 2.127 328 L HA -0.210 4.130 4.340 0.000 0.000 0.211 328 L C 2.355 179.171 176.870 -0.090 0.000 1.089 328 L CA 2.140 56.928 54.840 -0.087 0.000 0.757 328 L CB -0.848 41.175 42.059 -0.060 0.000 0.899 328 L HN 0.337 nan 8.230 nan 0.000 0.434 329 T N -0.024 114.473 114.554 -0.094 0.000 2.812 329 T HA -0.151 4.199 4.350 0.000 0.000 0.264 329 T C 1.982 176.614 174.700 -0.115 0.000 1.042 329 T CA 1.530 63.578 62.100 -0.087 0.000 1.140 329 T CB -0.075 68.750 68.868 -0.072 0.000 0.870 329 T HN 0.295 nan 8.240 nan 0.000 0.445 330 M N 0.937 120.434 119.600 -0.172 0.000 2.175 330 M HA 0.005 4.485 4.480 0.000 0.000 0.264 330 M C 2.774 178.969 176.300 -0.175 0.000 1.063 330 M CA 1.308 56.479 55.300 -0.215 0.000 1.119 330 M CB -0.396 31.979 32.600 -0.375 0.000 1.377 330 M HN 0.289 nan 8.290 nan 0.000 0.415 331 A N 0.460 123.184 122.820 -0.161 0.000 1.933 331 A HA -0.181 4.139 4.320 0.000 0.000 0.218 331 A C 1.913 179.440 177.584 -0.094 0.000 1.175 331 A CA 1.726 53.686 52.037 -0.128 0.000 0.628 331 A CB -0.609 18.322 19.000 -0.114 0.000 0.814 331 A HN 0.562 nan 8.150 nan 0.000 0.444 332 E N -0.671 119.480 120.200 -0.082 0.000 2.158 332 E HA -0.095 4.256 4.350 0.000 0.000 0.191 332 E C 2.208 178.775 176.600 -0.055 0.000 0.982 332 E CA 0.595 56.959 56.400 -0.060 0.000 0.823 332 E CB -0.126 29.543 29.700 -0.050 0.000 0.766 332 E HN 0.543 nan 8.360 nan 0.000 0.468 333 R N 0.665 121.127 120.500 -0.065 0.000 2.148 333 R HA -0.020 4.320 4.340 0.000 0.000 0.227 333 R C 2.275 178.547 176.300 -0.047 0.000 1.103 333 R CA 0.939 57.007 56.100 -0.053 0.000 0.983 333 R CB -0.145 30.118 30.300 -0.062 0.000 0.874 333 R HN 0.080 nan 8.270 nan 0.000 0.451 334 A N 1.102 123.885 122.820 -0.063 0.000 1.872 334 A HA -0.149 4.171 4.320 0.000 0.000 0.214 334 A C 2.112 179.673 177.584 -0.038 0.000 1.187 334 A CA 1.151 53.158 52.037 -0.051 0.000 0.614 334 A CB -0.291 18.663 19.000 -0.077 0.000 0.826 334 A HN 0.062 nan 8.150 nan 0.000 0.442 335 R N 0.305 120.777 120.500 -0.047 0.000 2.096 335 R HA -0.004 4.336 4.340 0.000 0.000 0.235 335 R C 2.065 178.350 176.300 -0.025 0.000 1.127 335 R CA 1.841 57.918 56.100 -0.038 0.000 0.968 335 R CB -0.896 29.380 30.300 -0.040 0.000 0.861 335 R HN 0.405 nan 8.270 nan 0.000 0.440 336 A N -0.253 122.553 122.820 -0.024 0.000 1.969 336 A HA 0.081 4.401 4.320 0.000 0.000 0.218 336 A C 2.073 179.653 177.584 -0.008 0.000 1.169 336 A CA 1.425 53.452 52.037 -0.016 0.000 0.635 336 A CB -0.617 18.373 19.000 -0.017 0.000 0.810 336 A HN 0.401 nan 8.150 nan 0.000 0.445 337 A N 0.143 122.960 122.820 -0.005 0.000 2.251 337 A HA 0.372 4.693 4.320 0.000 0.000 0.209 337 A C 1.397 178.993 177.584 0.019 0.000 1.187 337 A CA 0.702 52.745 52.037 0.009 0.000 0.823 337 A CB -0.656 18.352 19.000 0.013 0.000 0.846 337 A HN 0.693 nan 8.150 nan 0.000 0.486 338 S N -0.549 115.155 115.700 0.007 0.000 2.669 338 S HA 0.667 5.137 4.470 0.000 0.000 0.270 338 S C -0.197 174.404 174.600 0.002 0.000 1.225 338 S CA -0.438 57.768 58.200 0.009 0.000 0.991 338 S CB 0.711 63.907 63.200 -0.007 0.000 0.987 338 S HN 0.286 nan 8.310 nan 0.000 0.552 339 I N 1.268 121.835 120.570 -0.005 0.000 2.796 339 I HA 0.265 4.435 4.170 0.000 0.000 0.279 339 I C -2.267 173.832 176.117 -0.030 0.000 1.289 339 I CA -1.796 59.492 61.300 -0.020 0.000 1.021 339 I CB 1.466 39.448 38.000 -0.030 0.000 1.414 339 I HN 0.454 nan 8.210 nan 0.000 0.562 340 P HA -0.178 nan 4.420 nan 0.000 0.216 340 P C 0.712 177.992 177.300 -0.034 0.000 1.150 340 P CA 1.370 64.455 63.100 -0.025 0.000 0.837 340 P CB 0.019 31.709 31.700 -0.017 0.000 0.786 341 D N -1.095 119.282 120.400 -0.039 0.000 2.519 341 D HA 0.147 4.787 4.640 0.000 0.000 0.238 341 D C 1.315 177.561 176.300 -0.090 0.000 1.192 341 D CA -0.131 53.837 54.000 -0.053 0.000 0.835 341 D CB -0.595 40.182 40.800 -0.038 0.000 0.975 341 D HN 0.054 nan 8.370 nan 0.000 0.490 342 A N 0.706 123.469 122.820 -0.095 0.000 1.883 342 A HA -0.218 4.102 4.320 0.000 0.000 0.217 342 A C 2.231 179.702 177.584 -0.189 0.000 1.186 342 A CA 2.017 53.977 52.037 -0.127 0.000 0.624 342 A CB -1.067 17.860 19.000 -0.122 0.000 0.822 342 A HN 0.330 nan 8.150 nan 0.000 0.444 343 T N 0.572 115.008 114.554 -0.196 0.000 2.665 343 T HA -0.231 4.119 4.350 0.000 0.000 0.268 343 T C 1.817 176.263 174.700 -0.424 0.000 1.035 343 T CA 2.007 63.943 62.100 -0.273 0.000 1.151 343 T CB -0.443 68.304 68.868 -0.203 0.000 0.862 343 T HN 0.916 nan 8.240 nan 0.000 0.438 344 E N 1.181 121.129 120.200 -0.421 0.000 2.152 344 E HA -0.084 4.267 4.350 0.000 0.000 0.192 344 E C 2.275 178.721 176.600 -0.257 0.000 0.983 344 E CA 0.672 56.786 56.400 -0.476 0.000 0.818 344 E CB -0.255 29.312 29.700 -0.222 0.000 0.758 344 E HN 0.363 nan 8.360 nan 0.000 0.467 345 R N 0.660 121.048 120.500 -0.186 0.000 2.127 345 R HA -0.088 4.252 4.340 0.000 0.000 0.238 345 R C 2.289 178.502 176.300 -0.146 0.000 1.134 345 R CA 1.480 57.502 56.100 -0.131 0.000 0.975 345 R CB -0.143 30.095 30.300 -0.103 0.000 0.865 345 R HN 0.137 nan 8.270 nan 0.000 0.447 346 V N 0.257 120.051 119.914 -0.201 0.000 2.446 346 V HA -0.092 4.028 4.120 0.000 0.000 0.244 346 V C 2.350 178.313 176.094 -0.218 0.000 1.039 346 V CA 1.622 63.799 62.300 -0.205 0.000 1.045 346 V CB -0.484 31.173 31.823 -0.278 0.000 0.681 346 V HN 0.348 nan 8.190 nan 0.000 0.459 347 A N 0.774 123.428 122.820 -0.276 0.000 1.940 347 A HA -0.252 4.069 4.320 0.000 0.000 0.219 347 A C 2.042 179.519 177.584 -0.179 0.000 1.176 347 A CA 2.237 54.110 52.037 -0.272 0.000 0.631 347 A CB -0.664 18.146 19.000 -0.317 0.000 0.814 347 A HN 0.591 nan 8.150 nan 0.000 0.446 348 N N -0.134 118.491 118.700 -0.124 0.000 2.142 348 N HA -0.099 4.641 4.740 0.000 0.000 0.186 348 N C 1.584 177.068 175.510 -0.044 0.000 1.023 348 N CA 1.241 54.262 53.050 -0.048 0.000 0.852 348 N CB -0.362 38.106 38.487 -0.031 0.000 0.998 348 N HN 0.428 nan 8.380 nan 0.000 0.424 349 E N 0.696 120.853 120.200 -0.072 0.000 2.110 349 E HA -0.064 4.286 4.350 0.000 0.000 0.193 349 E C 2.101 178.669 176.600 -0.053 0.000 0.988 349 E CA 0.387 56.753 56.400 -0.057 0.000 0.804 349 E CB -0.266 29.391 29.700 -0.072 0.000 0.745 349 E HN 0.112 nan 8.360 nan 0.000 0.458 350 V N 0.838 120.694 119.914 -0.096 0.000 2.307 350 V HA -0.224 3.896 4.120 0.000 0.000 0.245 350 V C 2.564 178.661 176.094 0.005 0.000 1.045 350 V CA 1.909 64.149 62.300 -0.100 0.000 1.024 350 V CB -0.610 31.069 31.823 -0.241 0.000 0.651 350 V HN 0.251 nan 8.190 nan 0.000 0.449 351 S N -0.322 115.389 115.700 0.019 0.000 2.370 351 S HA -0.283 4.187 4.470 0.000 0.000 0.226 351 S C 2.195 176.897 174.600 0.170 0.000 1.033 351 S CA 2.039 60.384 58.200 0.241 0.000 1.011 351 S CB -0.320 63.015 63.200 0.225 0.000 0.852 351 S HN 0.476 nan 8.310 nan 0.000 0.457 352 R N 0.946 121.494 120.500 0.080 0.000 2.096 352 R HA -0.023 4.318 4.340 0.000 0.000 0.240 352 R C 2.011 178.341 176.300 0.050 0.000 1.139 352 R CA 2.120 58.251 56.100 0.052 0.000 0.952 352 R CB -1.196 29.115 30.300 0.018 0.000 0.854 352 R HN 0.389 nan 8.270 nan 0.000 0.436 353 V N 0.621 120.562 119.914 0.046 0.000 2.667 353 V HA -0.079 4.041 4.120 0.000 0.000 0.252 353 V C 2.306 178.441 176.094 0.069 0.000 1.065 353 V CA 1.457 63.781 62.300 0.040 0.000 1.083 353 V CB -0.748 31.086 31.823 0.019 0.000 0.692 353 V HN 0.503 nan 8.190 nan 0.000 0.468 354 A N 1.753 124.650 122.820 0.129 0.000 1.883 354 A HA -0.197 4.123 4.320 0.000 0.000 0.217 354 A C 1.719 179.343 177.584 0.066 0.000 1.186 354 A CA 1.434 53.562 52.037 0.152 0.000 0.624 354 A CB -0.468 18.730 19.000 0.330 0.000 0.822 354 A HN 0.728 nan 8.150 nan 0.000 0.444 355 R N 0.371 120.909 120.500 0.064 0.000 2.609 355 R HA 0.559 4.900 4.340 0.000 0.000 0.271 355 R C 0.267 176.578 176.300 0.020 0.000 1.403 355 R CA 0.281 56.398 56.100 0.027 0.000 1.138 355 R CB -0.461 29.858 30.300 0.031 0.000 1.142 355 R HN 0.295 nan 8.270 nan 0.000 0.559 356 A N 0.000 122.826 122.820 0.011 0.000 2.254 356 A HA 0.000 4.320 4.320 0.000 0.000 0.244 356 A CA 0.000 52.042 52.037 0.008 0.000 0.836 356 A CB 0.000 19.002 19.000 0.003 0.000 0.831 356 A HN 0.000 nan 8.150 nan 0.000 0.486