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 3dr2_1_A DATA FIRST_RESID 4 DATA SEQUENCE HCRVRPAGPA VPADCDPPRI THAALAARLG DARLLTLYDQ ATWSEGPAWW DATA SEQUENCE EAQRTLVWSD LVGRRVLGWR EDGTVDVLLD ATAFTNGNAV DAQQRLVHCE DATA SEQUENCE HGRRAITRSD ADGQAHLLVG RYAGKRLNSP NDLIVARDGA IWFTDPPFGL DATA SEQUENCE RKPSQGCPAD PELAHHSVYR LPPDGSPLQR MADLDHPNGL AFSPDEQTLY DATA SEQUENCE VSQTPEXXXG SVEITAFAWR DGALHDRRHF ASVPDGLPDG FCVDRGGWLW DATA SEQUENCE SSSGTGVCVF DSDGQLLGHI PTPGTASNCT FDQAQQRLFI TGGPCLWMLP DATA SEQUENCE LP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 H HA 0.000 nan 4.556 nan 0.000 0.296 4 H C 0.000 175.303 175.328 -0.042 0.000 0.993 4 H CA 0.000 56.017 56.048 -0.051 0.000 1.023 4 H CB 0.000 29.738 29.762 -0.040 0.000 1.292 5 C N 0.790 120.110 119.300 0.033 0.000 2.656 5 C HA 0.568 5.028 4.460 0.001 0.000 0.391 5 C C 1.123 176.124 174.990 0.019 0.000 1.300 5 C CA -0.695 58.338 59.018 0.025 0.000 2.302 5 C CB 0.820 28.566 27.740 0.009 0.000 2.655 5 C HN 0.485 nan 8.230 nan 0.000 0.656 6 R N 2.151 122.668 120.500 0.027 0.000 2.234 6 R HA 0.429 4.770 4.340 0.001 0.000 0.324 6 R C 0.740 177.076 176.300 0.060 0.000 1.054 6 R CA -0.003 56.119 56.100 0.037 0.000 0.912 6 R CB 1.064 31.385 30.300 0.035 0.000 1.030 6 R HN 0.964 nan 8.270 nan 0.000 0.455 7 V N 1.589 121.555 119.914 0.087 0.000 3.650 7 V HA 0.341 4.461 4.120 0.001 0.000 0.271 7 V C 0.614 176.866 176.094 0.263 0.000 1.281 7 V CA 0.139 62.537 62.300 0.164 0.000 1.120 7 V CB -0.449 31.491 31.823 0.196 0.000 0.856 7 V HN 0.687 nan 8.190 nan 0.000 0.443 8 R N 1.667 122.308 120.500 0.236 0.000 2.508 8 R HA 0.449 4.790 4.340 0.001 0.000 0.283 8 R C -3.233 173.161 176.300 0.157 0.000 1.120 8 R CA -1.616 54.632 56.100 0.247 0.000 0.958 8 R CB 2.961 33.510 30.300 0.414 0.000 1.215 8 R HN 0.139 nan 8.270 nan 0.000 0.427 9 P HA 0.128 nan 4.420 nan 0.000 0.274 9 P C -0.545 176.803 177.300 0.080 0.000 1.246 9 P CA -0.274 62.872 63.100 0.078 0.000 0.795 9 P CB 0.832 32.568 31.700 0.061 0.000 1.006 10 A N 0.734 123.582 122.820 0.048 0.000 2.507 10 A HA 0.508 4.828 4.320 0.001 0.000 0.235 10 A C 0.752 178.372 177.584 0.061 0.000 1.070 10 A CA 0.959 53.018 52.037 0.037 0.000 0.768 10 A CB -1.045 17.960 19.000 0.008 0.000 1.011 10 A HN 0.874 nan 8.150 nan 0.000 0.502 11 G N 1.105 109.950 108.800 0.076 0.000 2.368 11 G HA2 0.444 4.405 3.960 0.001 0.000 0.303 11 G HA3 0.444 4.405 3.960 0.001 0.000 0.303 11 G C -3.240 171.730 174.900 0.117 0.000 1.590 11 G CA -0.364 44.788 45.100 0.086 0.000 0.938 11 G HN 0.774 nan 8.290 nan 0.000 0.675 12 P HA 0.465 nan 4.420 nan 0.000 0.269 12 P C 0.460 177.841 177.300 0.135 0.000 1.209 12 P CA 0.360 63.530 63.100 0.117 0.000 0.776 12 P CB 1.057 32.807 31.700 0.083 0.000 0.876 13 A N 2.481 125.392 122.820 0.151 0.000 2.346 13 A HA 0.420 4.740 4.320 0.001 0.000 0.252 13 A C -0.095 177.545 177.584 0.093 0.000 1.089 13 A CA -0.401 51.719 52.037 0.139 0.000 0.797 13 A CB 0.213 19.292 19.000 0.131 0.000 1.047 13 A HN 0.389 nan 8.150 nan 0.000 0.494 14 V N 2.156 122.120 119.914 0.084 0.000 2.555 14 V HA 0.356 4.476 4.120 0.001 0.000 0.302 14 V C -2.372 173.755 176.094 0.054 0.000 1.038 14 V CA -1.611 60.726 62.300 0.063 0.000 0.887 14 V CB 1.599 33.459 31.823 0.061 0.000 0.991 14 V HN 0.776 nan 8.190 nan 0.000 0.434 15 P HA 0.156 nan 4.420 nan 0.000 0.266 15 P C -0.414 176.897 177.300 0.017 0.000 1.195 15 P CA 0.246 63.355 63.100 0.015 0.000 0.768 15 P CB 0.474 32.176 31.700 0.003 0.000 0.838 16 A N 2.405 125.222 122.820 -0.005 0.000 2.371 16 A HA 0.193 4.513 4.320 0.001 0.000 0.257 16 A C 0.306 177.857 177.584 -0.054 0.000 1.089 16 A CA -0.121 51.902 52.037 -0.022 0.000 0.794 16 A CB -0.055 18.864 19.000 -0.136 0.000 1.029 16 A HN 0.454 nan 8.150 nan 0.000 0.488 17 D N 1.017 121.394 120.400 -0.039 0.000 2.494 17 D HA 0.417 5.057 4.640 0.001 0.000 0.217 17 D C -0.397 175.855 176.300 -0.081 0.000 1.153 17 D CA 0.103 54.077 54.000 -0.043 0.000 0.954 17 D CB -0.387 40.405 40.800 -0.013 0.000 1.034 17 D HN 0.694 nan 8.370 nan 0.000 0.518 18 C N 0.995 120.233 119.300 -0.103 0.000 3.321 18 C HA 0.542 5.002 4.460 0.001 0.000 0.329 18 C C -0.466 174.465 174.990 -0.097 0.000 1.394 18 C CA -1.097 57.848 59.018 -0.122 0.000 1.291 18 C CB 1.154 28.769 27.740 -0.209 0.000 1.606 18 C HN 0.291 nan 8.230 nan 0.000 0.463 19 D N 2.984 123.334 120.400 -0.083 0.000 2.362 19 D HA 0.424 5.064 4.640 0.001 0.000 0.242 19 D C -1.948 174.310 176.300 -0.070 0.000 1.132 19 D CA -0.101 53.862 54.000 -0.062 0.000 0.907 19 D CB 0.901 41.676 40.800 -0.042 0.000 1.195 19 D HN 0.569 nan 8.370 nan 0.000 0.429 20 P HA 0.204 nan 4.420 nan 0.000 0.274 20 P C -2.640 174.631 177.300 -0.049 0.000 1.256 20 P CA -1.193 61.874 63.100 -0.056 0.000 0.795 20 P CB -0.456 31.219 31.700 -0.041 0.000 1.038 21 P HA 0.083 nan 4.420 nan 0.000 0.265 21 P C 0.010 177.293 177.300 -0.029 0.000 1.187 21 P CA 0.432 63.502 63.100 -0.049 0.000 0.766 21 P CB 0.246 31.920 31.700 -0.045 0.000 0.820 22 R N 4.466 124.958 120.500 -0.014 0.000 2.280 22 R HA 0.378 4.718 4.340 0.001 0.000 0.326 22 R C -0.929 175.344 176.300 -0.045 0.000 1.080 22 R CA -0.371 55.717 56.100 -0.019 0.000 1.002 22 R CB -0.309 29.990 30.300 -0.002 0.000 1.136 22 R HN 0.479 nan 8.270 nan 0.000 0.509 23 I N 4.412 124.952 120.570 -0.049 0.000 2.355 23 I HA 0.159 4.329 4.170 0.001 0.000 0.288 23 I C 1.337 177.424 176.117 -0.051 0.000 0.999 23 I CA -0.501 60.762 61.300 -0.062 0.000 1.163 23 I CB 2.211 40.183 38.000 -0.047 0.000 1.316 23 I HN 0.618 nan 8.210 nan 0.000 0.454 24 T N 0.366 114.884 114.554 -0.061 0.000 3.033 24 T HA 0.006 4.356 4.350 0.001 0.000 0.248 24 T C 0.868 175.574 174.700 0.010 0.000 1.040 24 T CA 0.445 62.521 62.100 -0.040 0.000 1.133 24 T CB -0.181 68.647 68.868 -0.066 0.000 0.895 24 T HN 0.520 nan 8.240 nan 0.000 0.465 25 H N 0.715 119.701 119.070 -0.140 0.000 2.848 25 H HA 0.459 5.015 4.556 0.001 0.000 0.341 25 H C 1.405 176.691 175.328 -0.070 0.000 1.060 25 H CA -0.146 55.824 56.048 -0.130 0.000 1.444 25 H CB 1.174 30.798 29.762 -0.230 0.000 1.446 25 H HN 0.322 nan 8.280 nan 0.000 0.583 26 A N 4.627 127.313 122.820 -0.224 0.000 1.929 26 A HA -0.103 4.217 4.320 0.001 0.000 0.216 26 A C 2.378 179.818 177.584 -0.241 0.000 1.176 26 A CA 1.226 53.149 52.037 -0.191 0.000 0.628 26 A CB -0.676 18.246 19.000 -0.130 0.000 0.816 26 A HN 0.823 nan 8.150 nan 0.000 0.444 27 A N -0.492 122.009 122.820 -0.531 0.000 1.933 27 A HA -0.022 4.298 4.320 0.001 0.000 0.218 27 A C 2.092 179.766 177.584 0.150 0.000 1.175 27 A CA 1.722 53.655 52.037 -0.173 0.000 0.628 27 A CB -0.519 18.416 19.000 -0.107 0.000 0.814 27 A HN 0.669 nan 8.150 nan 0.000 0.444 28 L N -0.524 120.728 121.223 0.047 0.000 2.156 28 L HA 0.116 4.456 4.340 0.001 0.000 0.208 28 L C 2.546 179.482 176.870 0.109 0.000 1.095 28 L CA 1.837 56.770 54.840 0.156 0.000 0.770 28 L CB -0.733 41.249 42.059 -0.129 0.000 0.914 28 L HN 0.309 nan 8.230 nan 0.000 0.439 29 A N -0.437 122.397 122.820 0.023 0.000 1.972 29 A HA -0.047 4.273 4.320 0.001 0.000 0.219 29 A C 2.426 180.036 177.584 0.043 0.000 1.169 29 A CA 1.576 53.624 52.037 0.020 0.000 0.635 29 A CB -0.951 18.042 19.000 -0.012 0.000 0.810 29 A HN 0.539 nan 8.150 nan 0.000 0.446 30 A N -0.211 122.638 122.820 0.048 0.000 1.897 30 A HA -0.066 4.255 4.320 0.001 0.000 0.215 30 A C 2.160 179.793 177.584 0.082 0.000 1.181 30 A CA 1.848 53.914 52.037 0.049 0.000 0.620 30 A CB -0.409 18.611 19.000 0.033 0.000 0.821 30 A HN 0.455 nan 8.150 nan 0.000 0.443 31 R N 0.119 120.708 120.500 0.149 0.000 2.091 31 R HA -0.027 4.313 4.340 0.001 0.000 0.238 31 R C 1.774 178.181 176.300 0.179 0.000 1.136 31 R CA 1.784 57.997 56.100 0.188 0.000 0.959 31 R CB -0.595 29.924 30.300 0.365 0.000 0.856 31 R HN 0.516 nan 8.270 nan 0.000 0.437 32 L N -0.957 120.373 121.223 0.179 0.000 2.209 32 L HA 0.228 4.569 4.340 0.001 0.000 0.207 32 L C 1.688 178.601 176.870 0.072 0.000 1.094 32 L CA 0.418 55.342 54.840 0.139 0.000 0.790 32 L CB -0.912 41.225 42.059 0.131 0.000 0.932 32 L HN 0.570 nan 8.230 nan 0.000 0.447 33 G N 1.159 109.991 108.800 0.055 0.000 2.596 33 G HA2 -0.379 3.581 3.960 0.001 0.000 0.295 33 G HA3 -0.379 3.581 3.960 0.001 0.000 0.295 33 G C -0.107 174.804 174.900 0.019 0.000 1.240 33 G CA 0.606 45.723 45.100 0.029 0.000 0.985 33 G HN 0.378 nan 8.290 nan 0.000 0.555 34 D N 1.906 122.312 120.400 0.010 0.000 2.460 34 D HA 0.550 5.190 4.640 0.001 0.000 0.229 34 D C 1.091 177.389 176.300 -0.003 0.000 1.170 34 D CA 0.775 54.776 54.000 0.001 0.000 0.827 34 D CB 0.133 40.931 40.800 -0.002 0.000 0.973 34 D HN 0.838 nan 8.370 nan 0.000 0.496 35 A N 1.113 123.934 122.820 0.002 0.000 2.540 35 A HA 0.267 4.588 4.320 0.001 0.000 0.239 35 A C 0.526 178.095 177.584 -0.024 0.000 1.061 35 A CA 0.160 52.191 52.037 -0.009 0.000 0.758 35 A CB 0.375 19.375 19.000 0.001 0.000 0.991 35 A HN 0.017 nan 8.150 nan 0.000 0.502 36 R N 1.252 121.730 120.500 -0.037 0.000 2.670 36 R HA 0.419 4.760 4.340 0.001 0.000 0.289 36 R C -0.918 175.340 176.300 -0.070 0.000 0.965 36 R CA -1.075 54.994 56.100 -0.051 0.000 0.899 36 R CB 1.483 31.759 30.300 -0.040 0.000 1.173 36 R HN 0.681 nan 8.270 nan 0.000 0.456 37 L N 2.818 123.983 121.223 -0.098 0.000 2.456 37 L HA 0.203 4.544 4.340 0.001 0.000 0.272 37 L C -0.710 176.114 176.870 -0.077 0.000 1.189 37 L CA 0.349 55.117 54.840 -0.120 0.000 0.846 37 L CB 0.373 42.308 42.059 -0.206 0.000 1.111 37 L HN 0.282 nan 8.230 nan 0.000 0.475 38 L N 3.596 124.793 121.223 -0.044 0.000 2.319 38 L HA 0.525 4.866 4.340 0.001 0.000 0.267 38 L C -0.038 176.901 176.870 0.115 0.000 1.011 38 L CA -0.511 54.337 54.840 0.013 0.000 0.818 38 L CB 1.742 43.794 42.059 -0.012 0.000 1.316 38 L HN 0.533 nan 8.230 nan 0.000 0.432 39 T N 2.844 117.486 114.554 0.146 0.000 2.758 39 T HA 0.485 4.835 4.350 0.001 0.000 0.285 39 T C 1.358 176.108 174.700 0.083 0.000 0.981 39 T CA -0.321 61.897 62.100 0.197 0.000 0.965 39 T CB 1.125 70.117 68.868 0.206 0.000 0.927 39 T HN 0.383 nan 8.240 nan 0.000 0.448 40 L N 2.175 123.396 121.223 -0.004 0.000 2.463 40 L HA 0.401 4.741 4.340 0.001 0.000 0.219 40 L C -0.150 176.851 176.870 0.217 0.000 1.088 40 L CA 0.245 55.106 54.840 0.035 0.000 0.849 40 L CB 0.257 42.133 42.059 -0.306 0.000 1.012 40 L HN 0.568 nan 8.230 nan 0.000 0.468 41 Y N 0.601 120.871 120.300 -0.050 0.000 2.521 41 Y HA 0.230 4.781 4.550 0.001 0.000 0.332 41 Y C -1.332 174.549 175.900 -0.031 0.000 1.121 41 Y CA -1.615 56.517 58.100 0.053 0.000 1.037 41 Y CB 1.350 39.938 38.460 0.214 0.000 1.330 41 Y HN 0.120 nan 8.280 nan 0.000 0.452 42 D N 1.457 121.626 120.400 -0.384 0.000 2.651 42 D HA 0.102 4.742 4.640 0.001 0.000 0.280 42 D C -0.241 175.864 176.300 -0.327 0.000 1.496 42 D CA -0.018 53.829 54.000 -0.255 0.000 0.792 42 D CB 0.376 41.104 40.800 -0.121 0.000 1.144 42 D HN 0.467 nan 8.370 nan 0.000 0.470 43 Q N 0.343 119.734 119.800 -0.681 0.000 2.179 43 Q HA 0.491 4.832 4.340 0.001 0.000 0.213 43 Q C 0.472 176.459 176.000 -0.022 0.000 0.833 43 Q CA -0.213 55.356 55.803 -0.390 0.000 0.990 43 Q CB 1.635 30.079 28.738 -0.490 0.000 1.132 43 Q HN 0.443 nan 8.270 nan 0.000 0.493 44 A N -0.273 122.655 122.820 0.180 0.000 2.336 44 A HA 0.551 4.871 4.320 0.001 0.000 0.291 44 A C 0.995 178.667 177.584 0.146 0.000 1.266 44 A CA -0.010 52.186 52.037 0.265 0.000 0.891 44 A CB 0.498 19.724 19.000 0.376 0.000 1.366 44 A HN 0.092 nan 8.150 nan 0.000 0.507 45 T N -1.785 112.867 114.554 0.163 0.000 3.098 45 T HA 0.141 4.492 4.350 0.001 0.000 0.246 45 T C -0.198 174.650 174.700 0.246 0.000 0.983 45 T CA 0.359 62.561 62.100 0.170 0.000 1.094 45 T CB 0.166 69.137 68.868 0.173 0.000 1.035 45 T HN 0.590 nan 8.240 nan 0.000 0.456 46 W N 3.264 124.598 121.300 0.056 0.000 2.481 46 W HA 0.567 5.227 4.660 0.001 0.000 0.285 46 W C -1.289 175.273 176.519 0.071 0.000 1.017 46 W CA -0.993 56.385 57.345 0.054 0.000 1.499 46 W CB 0.842 30.328 29.460 0.044 0.000 1.381 46 W HN -0.063 nan 8.180 nan 0.000 0.390 47 S N 3.530 119.346 115.700 0.194 0.000 2.549 47 S HA 0.323 4.793 4.470 0.001 0.000 0.279 47 S C 0.053 174.810 174.600 0.261 0.000 1.321 47 S CA 0.372 58.753 58.200 0.301 0.000 1.054 47 S CB 1.728 65.080 63.200 0.253 0.000 0.899 47 S HN 0.415 nan 8.310 nan 0.000 0.497 48 E N 0.043 120.456 120.200 0.355 0.000 2.447 48 E HA 0.419 4.769 4.350 0.001 0.000 0.279 48 E C -0.085 176.660 176.600 0.242 0.000 1.053 48 E CA -0.419 56.139 56.400 0.264 0.000 0.840 48 E CB 1.528 31.401 29.700 0.288 0.000 1.409 48 E HN 0.812 nan 8.360 nan 0.000 0.461 49 G N 2.858 111.759 108.800 0.167 0.000 2.395 49 G HA2 -0.186 3.774 3.960 0.001 0.000 0.292 49 G HA3 -0.186 3.774 3.960 0.001 0.000 0.292 49 G C -2.327 172.666 174.900 0.155 0.000 0.953 49 G CA 0.240 45.420 45.100 0.133 0.000 1.207 49 G HN 0.143 nan 8.290 nan 0.000 0.503 50 P HA 0.498 nan 4.420 nan 0.000 0.276 50 P C -0.209 177.151 177.300 0.100 0.000 1.230 50 P CA 0.410 63.590 63.100 0.133 0.000 0.776 50 P CB 1.683 33.411 31.700 0.046 0.000 0.888 51 A N 4.484 127.362 122.820 0.097 0.000 2.437 51 A HA 0.362 4.682 4.320 0.001 0.000 0.293 51 A C -1.266 176.401 177.584 0.139 0.000 1.038 51 A CA -0.724 51.373 52.037 0.101 0.000 0.708 51 A CB 1.104 20.123 19.000 0.032 0.000 1.251 51 A HN 0.670 nan 8.150 nan 0.000 0.409 52 W N 4.446 125.761 121.300 0.025 0.000 2.311 52 W HA 0.409 5.069 4.660 0.001 0.000 0.310 52 W C -1.447 175.188 176.519 0.194 0.000 1.274 52 W CA -0.251 57.132 57.345 0.064 0.000 1.215 52 W CB 0.877 30.387 29.460 0.084 0.000 1.227 52 W HN 0.719 nan 8.180 nan 0.000 0.523 53 W N 8.198 129.023 121.300 -0.792 0.000 2.309 53 W HA 0.203 4.864 4.660 0.001 0.000 0.332 53 W C 1.070 177.088 176.519 -0.835 0.000 0.962 53 W CA -1.382 55.609 57.345 -0.589 0.000 1.497 53 W CB 0.339 29.571 29.460 -0.379 0.000 1.308 53 W HN 0.577 nan 8.180 nan 0.000 0.384 54 E N 4.067 124.059 120.200 -0.347 0.000 2.070 54 E HA -0.224 4.127 4.350 0.001 0.000 0.197 54 E C 2.111 178.567 176.600 -0.240 0.000 1.004 54 E CA 2.629 58.942 56.400 -0.144 0.000 0.805 54 E CB -0.082 29.734 29.700 0.193 0.000 0.744 54 E HN 0.404 nan 8.360 nan 0.000 0.451 55 A N 0.041 122.687 122.820 -0.289 0.000 1.986 55 A HA -0.222 4.099 4.320 0.001 0.000 0.220 55 A C 1.860 179.082 177.584 -0.603 0.000 1.171 55 A CA 1.915 53.720 52.037 -0.386 0.000 0.640 55 A CB -0.319 18.482 19.000 -0.332 0.000 0.811 55 A HN 0.392 nan 8.150 nan 0.000 0.451 56 Q N -1.834 117.404 119.800 -0.938 0.000 2.171 56 Q HA 0.169 4.510 4.340 0.001 0.000 0.218 56 Q C -0.560 175.115 176.000 -0.542 0.000 0.822 56 Q CA -0.322 54.992 55.803 -0.815 0.000 0.987 56 Q CB 0.602 28.580 28.738 -1.268 0.000 1.144 56 Q HN 0.635 nan 8.270 nan 0.000 0.494 57 R N 1.202 121.392 120.500 -0.517 0.000 3.225 57 R HA -0.120 4.221 4.340 0.001 0.000 0.245 57 R C -0.725 175.276 176.300 -0.498 0.000 0.928 57 R CA 0.790 56.637 56.100 -0.422 0.000 0.632 57 R CB -2.014 28.269 30.300 -0.028 0.000 1.038 57 R HN 0.100 nan 8.270 nan 0.000 0.461 58 T N 0.690 114.813 114.554 -0.719 0.000 2.893 58 T HA 0.338 4.688 4.350 0.001 0.000 0.293 58 T C -0.466 174.101 174.700 -0.222 0.000 1.027 58 T CA -0.791 61.137 62.100 -0.287 0.000 0.988 58 T CB 2.187 71.005 68.868 -0.082 0.000 1.043 58 T HN 0.109 nan 8.240 nan 0.000 0.461 59 L N 4.630 125.963 121.223 0.183 0.000 2.261 59 L HA 0.527 4.867 4.340 0.001 0.000 0.289 59 L C -0.768 176.259 176.870 0.262 0.000 1.059 59 L CA -0.316 54.591 54.840 0.111 0.000 0.816 59 L CB 0.408 42.328 42.059 -0.232 0.000 1.191 59 L HN 0.428 nan 8.230 nan 0.000 0.431 60 V N 6.735 126.766 119.914 0.194 0.000 2.465 60 V HA 0.443 4.563 4.120 0.001 0.000 0.279 60 V C -0.252 176.027 176.094 0.307 0.000 1.045 60 V CA -0.305 62.120 62.300 0.208 0.000 0.938 60 V CB 1.116 32.959 31.823 0.035 0.000 0.986 60 V HN 0.917 nan 8.190 nan 0.000 0.467 61 W N 3.070 124.340 121.300 -0.050 0.000 3.074 61 W HA 0.761 5.421 4.660 0.001 0.000 0.332 61 W C -1.143 175.343 176.519 -0.054 0.000 1.253 61 W CA -0.727 56.590 57.345 -0.047 0.000 1.180 61 W CB 1.114 30.544 29.460 -0.050 0.000 1.445 61 W HN 0.336 nan 8.180 nan 0.000 0.573 62 S N 1.530 117.189 115.700 -0.068 0.000 2.549 62 S HA 0.265 4.736 4.470 0.001 0.000 0.297 62 S C -1.366 173.129 174.600 -0.175 0.000 1.115 62 S CA -0.520 57.553 58.200 -0.213 0.000 1.059 62 S CB 1.364 64.519 63.200 -0.075 0.000 1.046 62 S HN 0.449 nan 8.310 nan 0.000 0.506 63 D N 2.445 122.709 120.400 -0.226 0.000 2.485 63 D HA 0.208 4.849 4.640 0.001 0.000 0.229 63 D C 0.937 177.223 176.300 -0.024 0.000 1.101 63 D CA -0.414 53.553 54.000 -0.057 0.000 0.906 63 D CB 0.175 40.918 40.800 -0.094 0.000 1.019 63 D HN 0.415 nan 8.370 nan 0.000 0.516 64 L N 3.112 124.373 121.223 0.063 0.000 1.990 64 L HA -0.210 4.131 4.340 0.001 0.000 0.213 64 L C 1.755 178.644 176.870 0.031 0.000 1.072 64 L CA 1.333 56.166 54.840 -0.010 0.000 0.755 64 L CB 0.038 42.039 42.059 -0.095 0.000 0.889 64 L HN 0.273 nan 8.230 nan 0.000 0.432 65 V N -0.457 119.504 119.914 0.078 0.000 2.548 65 V HA -0.138 3.983 4.120 0.001 0.000 0.249 65 V C 2.377 178.508 176.094 0.062 0.000 1.055 65 V CA 1.581 63.948 62.300 0.110 0.000 1.065 65 V CB -0.760 31.145 31.823 0.137 0.000 0.681 65 V HN 0.632 nan 8.190 nan 0.000 0.462 66 G N -0.614 108.199 108.800 0.021 0.000 2.813 66 G HA2 -0.052 3.908 3.960 0.001 0.000 0.209 66 G HA3 -0.052 3.908 3.960 0.001 0.000 0.209 66 G C 0.764 175.583 174.900 -0.134 0.000 1.150 66 G CA -0.211 44.868 45.100 -0.034 0.000 0.785 66 G HN 0.521 nan 8.290 nan 0.000 0.535 67 R N -0.817 119.565 120.500 -0.198 0.000 3.267 67 R HA -0.147 4.194 4.340 0.001 0.000 0.254 67 R C -0.276 175.855 176.300 -0.281 0.000 0.993 67 R CA 0.628 56.532 56.100 -0.327 0.000 0.670 67 R CB -1.682 28.336 30.300 -0.470 0.000 1.125 67 R HN 0.415 nan 8.270 nan 0.000 0.434 68 R N -0.521 119.824 120.500 -0.259 0.000 2.707 68 R HA 0.574 4.914 4.340 0.001 0.000 0.272 68 R C -1.004 175.096 176.300 -0.333 0.000 1.011 68 R CA -0.994 54.934 56.100 -0.286 0.000 0.893 68 R CB 2.557 32.696 30.300 -0.267 0.000 1.233 68 R HN -0.041 nan 8.270 nan 0.000 0.464 69 V N 3.970 123.673 119.914 -0.353 0.000 2.378 69 V HA 0.424 4.544 4.120 0.001 0.000 0.288 69 V C -0.310 175.535 176.094 -0.414 0.000 1.016 69 V CA -0.619 61.460 62.300 -0.369 0.000 0.840 69 V CB 1.445 33.081 31.823 -0.311 0.000 0.994 69 V HN 0.485 nan 8.190 nan 0.000 0.431 70 L N 3.741 124.576 121.223 -0.646 0.000 2.358 70 L HA 0.905 5.245 4.340 0.001 0.000 0.268 70 L C 0.659 177.296 176.870 -0.389 0.000 1.032 70 L CA -0.519 53.893 54.840 -0.713 0.000 0.805 70 L CB 1.610 42.810 42.059 -1.431 0.000 1.253 70 L HN 0.701 nan 8.230 nan 0.000 0.452 71 G N 0.020 108.736 108.800 -0.140 0.000 2.702 71 G HA2 0.366 4.326 3.960 0.001 0.000 0.295 71 G HA3 0.366 4.326 3.960 0.001 0.000 0.295 71 G C -2.220 172.846 174.900 0.277 0.000 1.446 71 G CA -0.341 44.842 45.100 0.137 0.000 0.983 71 G HN 0.572 nan 8.290 nan 0.000 0.520 72 W N 5.496 126.958 121.300 0.271 0.000 2.331 72 W HA 0.640 5.301 4.660 0.001 0.000 0.306 72 W C -0.035 176.566 176.519 0.136 0.000 1.162 72 W CA -0.994 56.488 57.345 0.228 0.000 1.232 72 W CB 0.887 30.475 29.460 0.214 0.000 1.235 72 W HN 0.254 nan 8.180 nan 0.000 0.479 73 R N 4.378 124.542 120.500 -0.560 0.000 2.500 73 R HA 0.133 4.473 4.340 0.001 0.000 0.277 73 R C 0.976 176.549 176.300 -1.212 0.000 1.026 73 R CA -0.582 55.148 56.100 -0.616 0.000 1.058 73 R CB 0.698 30.795 30.300 -0.337 0.000 1.078 73 R HN 0.685 nan 8.270 nan 0.000 0.509 74 E N 0.933 120.659 120.200 -0.789 0.000 2.401 74 E HA -0.168 4.183 4.350 0.001 0.000 0.199 74 E C 0.411 176.790 176.600 -0.369 0.000 1.023 74 E CA 1.162 57.160 56.400 -0.670 0.000 0.859 74 E CB 0.169 29.784 29.700 -0.143 0.000 0.780 74 E HN 0.530 nan 8.360 nan 0.000 0.523 75 D N -0.833 119.380 120.400 -0.312 0.000 2.328 75 D HA 0.014 4.654 4.640 0.001 0.000 0.221 75 D C 1.292 177.539 176.300 -0.088 0.000 1.072 75 D CA 0.690 54.612 54.000 -0.131 0.000 0.850 75 D CB 0.491 41.236 40.800 -0.092 0.000 0.922 75 D HN 0.192 nan 8.370 nan 0.000 0.516 76 G N -0.146 108.529 108.800 -0.208 0.000 2.213 76 G HA2 -0.253 3.707 3.960 0.001 0.000 0.236 76 G HA3 -0.253 3.707 3.960 0.001 0.000 0.236 76 G C 0.484 175.404 174.900 0.033 0.000 0.991 76 G CA 0.196 45.326 45.100 0.049 0.000 0.629 76 G HN 0.444 nan 8.290 nan 0.000 0.517 77 T N 0.929 115.427 114.554 -0.094 0.000 2.930 77 T HA 0.465 4.815 4.350 0.001 0.000 0.306 77 T C 0.189 174.902 174.700 0.022 0.000 1.045 77 T CA 0.482 62.575 62.100 -0.013 0.000 1.134 77 T CB 2.191 71.028 68.868 -0.052 0.000 0.961 77 T HN 0.641 nan 8.240 nan 0.000 0.545 78 V N 4.112 124.097 119.914 0.118 0.000 2.483 78 V HA 0.390 4.510 4.120 0.001 0.000 0.297 78 V C -0.519 175.595 176.094 0.033 0.000 1.027 78 V CA -0.910 61.464 62.300 0.124 0.000 0.855 78 V CB 1.964 33.883 31.823 0.159 0.000 0.995 78 V HN 0.854 nan 8.190 nan 0.000 0.424 79 D N 2.518 122.913 120.400 -0.009 0.000 2.350 79 D HA 0.494 5.134 4.640 0.001 0.000 0.238 79 D C -0.593 175.655 176.300 -0.086 0.000 0.989 79 D CA -0.382 53.604 54.000 -0.023 0.000 0.921 79 D CB 2.884 43.688 40.800 0.008 0.000 1.297 79 D HN 0.240 nan 8.370 nan 0.000 0.490 80 V N 2.520 122.384 119.914 -0.083 0.000 2.408 80 V HA 0.092 4.213 4.120 0.001 0.000 0.267 80 V C 1.483 177.503 176.094 -0.123 0.000 1.047 80 V CA -0.062 62.145 62.300 -0.156 0.000 0.937 80 V CB 0.783 32.507 31.823 -0.164 0.000 0.999 80 V HN 0.434 nan 8.190 nan 0.000 0.472 81 L N 4.932 126.072 121.223 -0.139 0.000 2.168 81 L HA 0.258 4.599 4.340 0.001 0.000 0.203 81 L C 0.299 177.055 176.870 -0.189 0.000 1.078 81 L CA 1.019 55.821 54.840 -0.063 0.000 0.780 81 L CB 0.074 42.120 42.059 -0.022 0.000 0.939 81 L HN 0.405 nan 8.230 nan 0.000 0.451 82 L N -0.271 120.792 121.223 -0.267 0.000 2.438 82 L HA 0.401 4.742 4.340 0.001 0.000 0.270 82 L C -1.449 175.232 176.870 -0.316 0.000 0.972 82 L CA -0.571 54.081 54.840 -0.313 0.000 0.831 82 L CB 2.391 44.247 42.059 -0.338 0.000 1.273 82 L HN -0.132 nan 8.230 nan 0.000 0.405 83 D N 1.955 122.167 120.400 -0.313 0.000 2.299 83 D HA 0.654 5.294 4.640 0.001 0.000 0.243 83 D C 0.254 176.408 176.300 -0.244 0.000 0.982 83 D CA 0.371 54.211 54.000 -0.267 0.000 0.924 83 D CB 2.055 42.707 40.800 -0.248 0.000 1.238 83 D HN 0.728 nan 8.370 nan 0.000 0.484 84 A N 1.479 124.160 122.820 -0.232 0.000 2.560 84 A HA -0.118 4.202 4.320 0.001 0.000 0.299 84 A C 0.632 178.051 177.584 -0.275 0.000 1.484 84 A CA 1.297 53.192 52.037 -0.236 0.000 0.749 84 A CB -2.653 16.238 19.000 -0.183 0.000 1.072 84 A HN 0.702 nan 8.150 nan 0.000 0.426 85 T N -2.641 111.720 114.554 -0.320 0.000 2.813 85 T HA 0.578 4.928 4.350 0.001 0.000 0.297 85 T C 0.747 175.214 174.700 -0.387 0.000 1.036 85 T CA 0.058 61.962 62.100 -0.326 0.000 1.044 85 T CB 1.542 70.213 68.868 -0.329 0.000 0.993 85 T HN 1.900 nan 8.240 nan 0.000 0.535 86 A N 1.524 124.187 122.820 -0.262 0.000 3.135 86 A HA 0.510 4.831 4.320 0.001 0.000 0.253 86 A C 0.237 177.814 177.584 -0.012 0.000 1.638 86 A CA -0.913 51.035 52.037 -0.150 0.000 1.295 86 A CB -1.733 17.245 19.000 -0.036 0.000 1.106 86 A HN 0.936 nan 8.150 nan 0.000 0.648 87 F N -0.735 119.145 119.950 -0.118 0.000 2.891 87 F HA -0.190 4.337 4.527 0.001 0.000 0.272 87 F C 0.816 176.488 175.800 -0.213 0.000 1.004 87 F CA 0.857 58.767 58.000 -0.150 0.000 0.938 87 F CB -2.404 36.544 39.000 -0.087 0.000 0.939 87 F HN 0.335 nan 8.300 nan 0.000 0.833 88 T N 0.329 114.800 114.554 -0.137 0.000 2.888 88 T HA 0.114 4.465 4.350 0.001 0.000 0.301 88 T C 0.997 175.599 174.700 -0.164 0.000 1.001 88 T CA 0.425 62.434 62.100 -0.152 0.000 1.147 88 T CB 1.579 70.313 68.868 -0.223 0.000 0.931 88 T HN 0.645 nan 8.240 nan 0.000 0.541 89 N N 1.399 120.009 118.700 -0.150 0.000 2.528 89 N HA 0.311 5.052 4.740 0.001 0.000 0.208 89 N C 1.003 176.514 175.510 0.002 0.000 1.218 89 N CA -0.338 52.636 53.050 -0.127 0.000 1.112 89 N CB 0.294 38.643 38.487 -0.230 0.000 1.423 89 N HN 0.647 nan 8.380 nan 0.000 0.497 90 G N 0.370 109.195 108.800 0.042 0.000 2.491 90 G HA2 0.211 4.172 3.960 0.001 0.000 0.238 90 G HA3 0.211 4.172 3.960 0.001 0.000 0.238 90 G C -0.925 174.007 174.900 0.053 0.000 1.277 90 G CA -0.086 45.051 45.100 0.062 0.000 0.851 90 G HN 0.505 nan 8.290 nan 0.000 0.573 91 N N -0.538 118.188 118.700 0.043 0.000 2.262 91 N HA 0.713 5.454 4.740 0.001 0.000 0.295 91 N C -0.503 174.982 175.510 -0.042 0.000 1.161 91 N CA -0.241 52.805 53.050 -0.006 0.000 0.767 91 N CB 2.413 40.914 38.487 0.024 0.000 1.499 91 N HN 0.811 nan 8.380 nan 0.000 0.476 92 A N 0.248 122.990 122.820 -0.129 0.000 2.599 92 A HA 0.691 5.011 4.320 0.001 0.000 0.290 92 A C -1.600 175.883 177.584 -0.169 0.000 1.101 92 A CA -0.504 51.483 52.037 -0.084 0.000 0.674 92 A CB 1.177 20.162 19.000 -0.025 0.000 1.277 92 A HN 0.264 nan 8.150 nan 0.000 0.419 93 V N 2.408 122.267 119.914 -0.092 0.000 2.531 93 V HA 0.464 4.584 4.120 0.001 0.000 0.301 93 V C -0.587 175.494 176.094 -0.021 0.000 1.034 93 V CA -0.551 61.679 62.300 -0.116 0.000 0.865 93 V CB 1.520 33.309 31.823 -0.057 0.000 0.995 93 V HN 1.095 nan 8.190 nan 0.000 0.424 94 D N 4.331 124.712 120.400 -0.031 0.000 2.433 94 D HA 0.389 5.030 4.640 0.001 0.000 0.255 94 D C 1.300 177.633 176.300 0.055 0.000 1.226 94 D CA 0.036 54.049 54.000 0.022 0.000 1.015 94 D CB 1.167 41.973 40.800 0.010 0.000 1.091 94 D HN 0.475 nan 8.370 nan 0.000 0.527 95 A N -0.596 122.262 122.820 0.064 0.000 2.024 95 A HA -0.205 4.115 4.320 0.001 0.000 0.220 95 A C 1.807 179.434 177.584 0.072 0.000 1.164 95 A CA 1.432 53.512 52.037 0.071 0.000 0.643 95 A CB -0.723 18.316 19.000 0.066 0.000 0.806 95 A HN 0.500 nan 8.150 nan 0.000 0.451 96 Q N -0.556 119.283 119.800 0.066 0.000 2.322 96 Q HA 0.143 4.484 4.340 0.001 0.000 0.203 96 Q C -0.122 175.939 176.000 0.102 0.000 0.923 96 Q CA 0.149 55.994 55.803 0.071 0.000 0.949 96 Q CB 0.276 29.048 28.738 0.056 0.000 1.039 96 Q HN 0.500 nan 8.270 nan 0.000 0.496 97 Q N -0.605 119.270 119.800 0.125 0.000 2.494 97 Q HA -0.234 4.106 4.340 0.001 0.000 0.272 97 Q C -0.858 175.297 176.000 0.258 0.000 1.145 97 Q CA 0.846 56.787 55.803 0.230 0.000 0.943 97 Q CB -1.475 27.421 28.738 0.263 0.000 1.338 97 Q HN 0.485 nan 8.270 nan 0.000 0.492 98 R N -0.109 120.428 120.500 0.062 0.000 2.540 98 R HA 0.612 4.953 4.340 0.001 0.000 0.287 98 R C 0.456 176.600 176.300 -0.260 0.000 0.980 98 R CA -0.773 55.304 56.100 -0.039 0.000 0.966 98 R CB 0.966 31.258 30.300 -0.013 0.000 1.106 98 R HN 0.057 nan 8.270 nan 0.000 0.480 99 L N 3.417 124.369 121.223 -0.452 0.000 2.331 99 L HA 0.326 4.666 4.340 0.001 0.000 0.278 99 L C 0.095 176.571 176.870 -0.657 0.000 1.106 99 L CA -0.687 53.769 54.840 -0.639 0.000 0.824 99 L CB 1.025 42.647 42.059 -0.728 0.000 1.142 99 L HN 0.386 nan 8.230 nan 0.000 0.443 100 V N -0.431 119.078 119.914 -0.674 0.000 2.715 100 V HA 0.637 4.757 4.120 0.001 0.000 0.310 100 V C -0.511 175.134 176.094 -0.749 0.000 1.054 100 V CA -0.662 61.297 62.300 -0.568 0.000 0.928 100 V CB 1.853 33.529 31.823 -0.245 0.000 1.007 100 V HN 0.670 nan 8.190 nan 0.000 0.437 101 H N 0.939 119.934 119.070 -0.124 0.000 2.895 101 H HA 0.560 5.116 4.556 0.001 0.000 0.373 101 H C -1.371 173.879 175.328 -0.131 0.000 1.174 101 H CA -0.598 55.377 56.048 -0.123 0.000 1.144 101 H CB 2.049 31.729 29.762 -0.136 0.000 1.793 101 H HN 0.835 nan 8.280 nan 0.000 0.551 102 C N 1.733 121.051 119.300 0.030 0.000 2.281 102 C HA 0.290 4.750 4.460 0.001 0.000 0.325 102 C C 0.281 175.277 174.990 0.010 0.000 1.282 102 C CA -0.470 58.535 59.018 -0.022 0.000 1.640 102 C CB -0.183 27.574 27.740 0.029 0.000 2.288 102 C HN 0.653 nan 8.230 nan 0.000 0.507 103 E N 1.803 122.007 120.200 0.007 0.000 2.155 103 E HA 0.207 4.558 4.350 0.001 0.000 0.264 103 E C 0.305 176.989 176.600 0.142 0.000 0.886 103 E CA -0.387 56.033 56.400 0.034 0.000 0.752 103 E CB 1.127 30.820 29.700 -0.012 0.000 1.133 103 E HN 0.753 nan 8.360 nan 0.000 0.414 104 H N 2.343 121.440 119.070 0.045 0.000 2.353 104 H HA -0.113 4.444 4.556 0.001 0.000 0.300 104 H C 2.054 177.399 175.328 0.028 0.000 1.090 104 H CA 0.826 56.889 56.048 0.025 0.000 1.327 104 H CB 0.420 30.183 29.762 0.000 0.000 1.383 104 H HN 0.670 nan 8.280 nan 0.000 0.508 105 G N 0.768 109.733 108.800 0.274 0.000 2.453 105 G HA2 -0.223 3.737 3.960 0.001 0.000 0.215 105 G HA3 -0.223 3.737 3.960 0.001 0.000 0.215 105 G C 1.627 176.587 174.900 0.100 0.000 1.201 105 G CA 0.215 45.455 45.100 0.234 0.000 0.784 105 G HN 0.292 nan 8.290 nan 0.000 0.545 106 R N -0.097 120.441 120.500 0.063 0.000 2.307 106 R HA 0.137 4.478 4.340 0.001 0.000 0.199 106 R C 0.310 176.611 176.300 0.000 0.000 1.000 106 R CA -0.063 56.047 56.100 0.016 0.000 1.023 106 R CB 0.009 30.303 30.300 -0.010 0.000 0.908 106 R HN 0.254 nan 8.270 nan 0.000 0.473 107 R N -0.287 120.220 120.500 0.012 0.000 3.205 107 R HA -0.227 4.113 4.340 0.001 0.000 0.249 107 R C -0.707 175.566 176.300 -0.045 0.000 0.937 107 R CA 0.469 56.563 56.100 -0.011 0.000 0.641 107 R CB -1.580 28.707 30.300 -0.022 0.000 1.114 107 R HN 0.361 nan 8.270 nan 0.000 0.451 108 A N 0.128 122.905 122.820 -0.072 0.000 2.536 108 A HA 0.709 5.030 4.320 0.001 0.000 0.293 108 A C -1.302 176.153 177.584 -0.215 0.000 1.119 108 A CA -0.914 51.037 52.037 -0.142 0.000 0.654 108 A CB 1.177 20.122 19.000 -0.092 0.000 1.291 108 A HN 0.096 nan 8.150 nan 0.000 0.439 109 I N 2.083 122.482 120.570 -0.285 0.000 2.354 109 I HA 0.544 4.715 4.170 0.001 0.000 0.292 109 I C 0.575 176.610 176.117 -0.136 0.000 0.989 109 I CA 0.162 61.286 61.300 -0.294 0.000 1.188 109 I CB 0.744 38.483 38.000 -0.435 0.000 1.342 109 I HN 0.886 nan 8.210 nan 0.000 0.457 110 T N 4.146 118.660 114.554 -0.067 0.000 2.907 110 T HA 0.752 5.103 4.350 0.001 0.000 0.290 110 T C -0.451 174.260 174.700 0.019 0.000 1.066 110 T CA -0.984 61.114 62.100 -0.002 0.000 1.012 110 T CB 2.855 71.733 68.868 0.015 0.000 1.184 110 T HN 0.633 nan 8.240 nan 0.000 0.522 111 R N 0.551 121.076 120.500 0.042 0.000 2.538 111 R HA 0.580 4.921 4.340 0.001 0.000 0.292 111 R C -1.090 175.240 176.300 0.049 0.000 1.008 111 R CA -0.457 55.640 56.100 -0.005 0.000 0.896 111 R CB 1.942 32.233 30.300 -0.015 0.000 1.187 111 R HN 0.793 nan 8.270 nan 0.000 0.440 112 S N 2.228 117.952 115.700 0.040 0.000 2.586 112 S HA 0.249 4.719 4.470 0.001 0.000 0.274 112 S C -0.668 173.962 174.600 0.050 0.000 1.281 112 S CA -0.607 57.618 58.200 0.042 0.000 1.035 112 S CB 1.349 64.608 63.200 0.099 0.000 0.962 112 S HN 0.534 nan 8.310 nan 0.000 0.512 113 D N 0.572 121.021 120.400 0.081 0.000 2.549 113 D HA 0.582 5.222 4.640 0.001 0.000 0.270 113 D C 0.959 177.329 176.300 0.117 0.000 1.181 113 D CA -0.533 53.541 54.000 0.123 0.000 1.070 113 D CB 0.395 41.305 40.800 0.184 0.000 1.154 113 D HN 0.465 nan 8.370 nan 0.000 0.602 114 A N 0.148 123.038 122.820 0.117 0.000 2.168 114 A HA -0.102 4.219 4.320 0.001 0.000 0.215 114 A C 1.191 178.828 177.584 0.089 0.000 1.152 114 A CA 1.231 53.337 52.037 0.115 0.000 0.716 114 A CB -0.561 18.486 19.000 0.080 0.000 0.794 114 A HN 0.575 nan 8.150 nan 0.000 0.465 115 D N -1.514 118.938 120.400 0.086 0.000 2.363 115 D HA 0.182 4.822 4.640 0.001 0.000 0.220 115 D C 1.210 177.560 176.300 0.084 0.000 0.994 115 D CA 0.837 54.880 54.000 0.073 0.000 0.890 115 D CB -0.800 40.050 40.800 0.085 0.000 0.906 115 D HN 0.736 nan 8.370 nan 0.000 0.530 116 G N -0.262 108.590 108.800 0.088 0.000 2.147 116 G HA2 -0.262 3.698 3.960 0.001 0.000 0.244 116 G HA3 -0.262 3.698 3.960 0.001 0.000 0.244 116 G C -0.223 174.656 174.900 -0.035 0.000 1.005 116 G CA -0.072 45.078 45.100 0.084 0.000 0.713 116 G HN 0.396 nan 8.290 nan 0.000 0.515 117 Q N -0.424 119.322 119.800 -0.089 0.000 2.333 117 Q HA 0.657 4.998 4.340 0.001 0.000 0.267 117 Q C 0.002 175.753 176.000 -0.415 0.000 1.012 117 Q CA -0.006 55.645 55.803 -0.252 0.000 0.824 117 Q CB 2.093 30.670 28.738 -0.267 0.000 1.290 117 Q HN 0.774 nan 8.270 nan 0.000 0.449 118 A N 4.150 126.742 122.820 -0.380 0.000 2.279 118 A HA 0.417 4.738 4.320 0.001 0.000 0.306 118 A C -0.589 176.789 177.584 -0.344 0.000 1.300 118 A CA -0.463 51.404 52.037 -0.283 0.000 0.925 118 A CB 0.152 19.029 19.000 -0.204 0.000 1.152 118 A HN 0.581 nan 8.150 nan 0.000 0.544 119 H N 1.947 121.014 119.070 -0.005 0.000 2.467 119 H HA 0.282 4.839 4.556 0.001 0.000 0.331 119 H C -0.148 175.169 175.328 -0.019 0.000 1.120 119 H CA -0.620 55.419 56.048 -0.015 0.000 1.270 119 H CB 1.653 31.409 29.762 -0.011 0.000 1.466 119 H HN 0.635 nan 8.280 nan 0.000 0.504 120 L N 2.928 124.208 121.223 0.096 0.000 2.513 120 L HA -0.036 4.305 4.340 0.001 0.000 0.272 120 L C 0.334 177.217 176.870 0.020 0.000 1.187 120 L CA 0.467 55.324 54.840 0.030 0.000 0.895 120 L CB -0.031 42.036 42.059 0.014 0.000 1.147 120 L HN 0.593 nan 8.230 nan 0.000 0.483 121 L N 4.725 125.942 121.223 -0.011 0.000 2.347 121 L HA 0.338 4.678 4.340 0.001 0.000 0.196 121 L C -0.046 176.809 176.870 -0.025 0.000 1.072 121 L CA 0.262 55.092 54.840 -0.017 0.000 0.817 121 L CB 0.417 42.457 42.059 -0.031 0.000 1.029 121 L HN 0.505 nan 8.230 nan 0.000 0.478 122 V N -0.912 118.971 119.914 -0.052 0.000 2.882 122 V HA 0.594 4.714 4.120 0.001 0.000 0.295 122 V C -0.365 175.685 176.094 -0.073 0.000 1.273 122 V CA -0.124 62.149 62.300 -0.045 0.000 0.949 122 V CB 1.832 33.644 31.823 -0.018 0.000 1.071 122 V HN 0.172 nan 8.190 nan 0.000 0.432 123 G N 5.483 114.255 108.800 -0.047 0.000 3.651 123 G HA2 0.434 4.394 3.960 0.001 0.000 0.267 123 G HA3 0.434 4.394 3.960 0.001 0.000 0.267 123 G C 0.142 175.027 174.900 -0.026 0.000 1.009 123 G CA -0.245 44.826 45.100 -0.049 0.000 0.866 123 G HN 0.585 nan 8.290 nan 0.000 0.488 124 R N -0.995 119.498 120.500 -0.011 0.000 2.799 124 R HA 0.549 4.890 4.340 0.001 0.000 0.270 124 R C -2.155 174.181 176.300 0.061 0.000 1.010 124 R CA -0.868 55.240 56.100 0.014 0.000 0.916 124 R CB 2.122 32.420 30.300 -0.003 0.000 1.228 124 R HN 0.069 nan 8.270 nan 0.000 0.469 125 Y N 0.270 120.546 120.300 -0.040 0.000 2.354 125 Y HA 0.415 4.965 4.550 0.001 0.000 0.330 125 Y C -0.242 175.682 175.900 0.040 0.000 1.011 125 Y CA -0.045 58.053 58.100 -0.003 0.000 1.099 125 Y CB 1.893 40.378 38.460 0.042 0.000 1.179 125 Y HN 0.910 nan 8.280 nan 0.000 0.442 126 A N 3.909 126.372 122.820 -0.596 0.000 2.745 126 A HA -0.016 4.304 4.320 0.001 0.000 0.296 126 A C 1.720 179.217 177.584 -0.145 0.000 1.500 126 A CA 1.719 53.524 52.037 -0.387 0.000 0.766 126 A CB -2.136 16.635 19.000 -0.383 0.000 1.030 126 A HN 2.520 nan 8.150 nan 0.000 0.489 127 G N -2.039 106.699 108.800 -0.104 0.000 2.212 127 G HA2 -0.319 3.641 3.960 0.001 0.000 0.266 127 G HA3 -0.319 3.641 3.960 0.001 0.000 0.266 127 G C 0.149 175.038 174.900 -0.018 0.000 0.978 127 G CA 1.286 46.356 45.100 -0.050 0.000 0.632 127 G HN 1.213 nan 8.290 nan 0.000 0.537 128 K N 0.601 121.004 120.400 0.005 0.000 2.138 128 K HA 0.534 4.854 4.320 0.001 0.000 0.263 128 K C 0.670 177.289 176.600 0.031 0.000 0.965 128 K CA -0.933 55.368 56.287 0.023 0.000 0.868 128 K CB 1.287 33.814 32.500 0.046 0.000 1.083 128 K HN 0.203 nan 8.250 nan 0.000 0.443 129 R N 1.849 122.355 120.500 0.010 0.000 2.623 129 R HA 0.064 4.404 4.340 0.001 0.000 0.271 129 R C 0.247 176.549 176.300 0.004 0.000 1.043 129 R CA -0.112 55.989 56.100 0.001 0.000 1.083 129 R CB 0.070 30.363 30.300 -0.012 0.000 0.974 129 R HN 0.382 nan 8.270 nan 0.000 0.436 130 L N 2.120 123.342 121.223 -0.002 0.000 2.476 130 L HA -0.056 4.284 4.340 0.001 0.000 0.264 130 L C 1.656 178.514 176.870 -0.020 0.000 1.224 130 L CA -0.311 54.528 54.840 -0.000 0.000 0.821 130 L CB 0.271 42.328 42.059 -0.004 0.000 1.101 130 L HN 0.633 nan 8.230 nan 0.000 0.488 131 N N 0.487 119.172 118.700 -0.026 0.000 2.051 131 N HA -0.081 4.660 4.740 0.001 0.000 0.192 131 N C 0.014 175.463 175.510 -0.101 0.000 1.049 131 N CA 1.464 54.463 53.050 -0.085 0.000 0.845 131 N CB -0.072 38.329 38.487 -0.144 0.000 1.031 131 N HN 0.682 nan 8.380 nan 0.000 0.425 132 S N -1.381 114.272 115.700 -0.079 0.000 2.508 132 S HA 0.221 4.692 4.470 0.001 0.000 0.182 132 S C -3.238 171.370 174.600 0.014 0.000 0.683 132 S CA -1.233 56.910 58.200 -0.095 0.000 0.912 132 S CB 1.043 64.056 63.200 -0.313 0.000 1.441 132 S HN -0.136 nan 8.310 nan 0.000 0.414 133 P HA 0.087 nan 4.420 nan 0.000 0.260 133 P C 0.428 177.873 177.300 0.243 0.000 1.172 133 P CA 0.336 63.528 63.100 0.153 0.000 0.760 133 P CB 0.417 32.054 31.700 -0.104 0.000 0.773 134 N N 2.399 121.268 118.700 0.282 0.000 2.513 134 N HA -0.009 4.732 4.740 0.001 0.000 0.196 134 N C -0.151 175.492 175.510 0.222 0.000 1.041 134 N CA 0.870 54.114 53.050 0.323 0.000 0.916 134 N CB 0.424 39.120 38.487 0.348 0.000 1.172 134 N HN 0.332 nan 8.380 nan 0.000 0.444 135 D N -0.108 120.415 120.400 0.205 0.000 2.581 135 D HA 0.456 5.096 4.640 0.001 0.000 0.232 135 D C -0.870 175.531 176.300 0.169 0.000 1.143 135 D CA -0.464 53.619 54.000 0.139 0.000 0.881 135 D CB 2.103 42.953 40.800 0.082 0.000 1.500 135 D HN 0.226 nan 8.370 nan 0.000 0.458 136 L N -0.324 120.973 121.223 0.123 0.000 2.479 136 L HA 0.786 5.127 4.340 0.001 0.000 0.255 136 L C -1.246 175.694 176.870 0.117 0.000 1.026 136 L CA -0.955 53.986 54.840 0.169 0.000 0.842 136 L CB 2.195 44.346 42.059 0.154 0.000 1.444 136 L HN 0.534 nan 8.230 nan 0.000 0.409 137 I N -0.677 119.993 120.570 0.168 0.000 3.095 137 I HA 0.793 4.964 4.170 0.001 0.000 0.310 137 I C -1.429 174.820 176.117 0.220 0.000 1.196 137 I CA -1.111 60.278 61.300 0.148 0.000 0.985 137 I CB 2.383 40.448 38.000 0.108 0.000 1.250 137 I HN 0.395 nan 8.210 nan 0.000 0.446 138 V N 2.813 122.842 119.914 0.192 0.000 2.409 138 V HA 0.727 4.848 4.120 0.001 0.000 0.291 138 V C 0.664 176.886 176.094 0.213 0.000 1.020 138 V CA -0.390 62.037 62.300 0.211 0.000 0.848 138 V CB 1.181 33.083 31.823 0.132 0.000 0.990 138 V HN 0.982 nan 8.190 nan 0.000 0.430 139 A N 4.755 127.737 122.820 0.271 0.000 2.296 139 A HA 0.457 4.777 4.320 0.001 0.000 0.264 139 A C 1.278 178.918 177.584 0.093 0.000 1.097 139 A CA -0.234 51.886 52.037 0.139 0.000 0.811 139 A CB 0.245 19.352 19.000 0.178 0.000 1.072 139 A HN 0.863 nan 8.150 nan 0.000 0.495 140 R N -0.111 120.399 120.500 0.017 0.000 2.159 140 R HA -0.135 4.205 4.340 0.001 0.000 0.237 140 R C 0.507 176.847 176.300 0.067 0.000 1.131 140 R CA 1.563 57.685 56.100 0.037 0.000 0.982 140 R CB -0.100 30.203 30.300 0.004 0.000 0.868 140 R HN 0.892 nan 8.270 nan 0.000 0.453 141 D N -1.292 119.166 120.400 0.096 0.000 2.328 141 D HA 0.032 4.672 4.640 0.001 0.000 0.226 141 D C 1.093 177.463 176.300 0.116 0.000 1.066 141 D CA 0.778 54.844 54.000 0.110 0.000 0.861 141 D CB 0.313 41.198 40.800 0.141 0.000 0.912 141 D HN 0.260 nan 8.370 nan 0.000 0.521 142 G N -0.224 108.649 108.800 0.121 0.000 2.199 142 G HA2 -0.208 3.753 3.960 0.001 0.000 0.254 142 G HA3 -0.208 3.753 3.960 0.001 0.000 0.254 142 G C 0.549 175.530 174.900 0.134 0.000 0.982 142 G CA 0.166 45.334 45.100 0.113 0.000 0.632 142 G HN 0.841 nan 8.290 nan 0.000 0.529 143 A N 0.142 123.070 122.820 0.181 0.000 2.425 143 A HA 0.657 4.977 4.320 0.001 0.000 0.249 143 A C 0.433 178.167 177.584 0.251 0.000 1.084 143 A CA 0.178 52.317 52.037 0.170 0.000 0.781 143 A CB 0.246 19.349 19.000 0.171 0.000 1.019 143 A HN 0.778 nan 8.150 nan 0.000 0.490 144 I N 1.710 122.377 120.570 0.162 0.000 2.321 144 I HA 0.238 4.409 4.170 0.001 0.000 0.291 144 I C -0.890 175.380 176.117 0.256 0.000 0.998 144 I CA -0.131 61.313 61.300 0.239 0.000 1.227 144 I CB 0.967 39.067 38.000 0.166 0.000 1.368 144 I HN 0.678 nan 8.210 nan 0.000 0.466 145 W N 7.796 129.182 121.300 0.144 0.000 2.520 145 W HA 0.595 5.255 4.660 0.001 0.000 0.323 145 W C -0.412 176.212 176.519 0.176 0.000 1.062 145 W CA -0.505 56.876 57.345 0.061 0.000 1.215 145 W CB 1.284 30.702 29.460 -0.070 0.000 1.340 145 W HN 0.270 nan 8.180 nan 0.000 0.516 146 F N -0.376 119.691 119.950 0.195 0.000 2.686 146 F HA 0.798 5.326 4.527 0.001 0.000 0.311 146 F C -0.395 175.496 175.800 0.153 0.000 1.128 146 F CA -1.483 56.604 58.000 0.144 0.000 0.946 146 F CB 0.889 39.953 39.000 0.106 0.000 1.336 146 F HN 0.188 nan 8.300 nan 0.000 0.457 147 T N -1.367 113.392 114.554 0.342 0.000 2.902 147 T HA 0.473 4.824 4.350 0.001 0.000 0.283 147 T C -1.094 173.818 174.700 0.354 0.000 1.009 147 T CA -0.422 61.814 62.100 0.227 0.000 1.051 147 T CB 1.615 70.600 68.868 0.196 0.000 0.999 147 T HN 0.743 nan 8.240 nan 0.000 0.474 148 D N 2.974 123.522 120.400 0.247 0.000 2.749 148 D HA 0.348 4.989 4.640 0.001 0.000 0.338 148 D C -2.340 173.963 176.300 0.006 0.000 1.236 148 D CA -1.944 52.196 54.000 0.233 0.000 0.845 148 D CB 0.683 41.716 40.800 0.388 0.000 1.080 148 D HN 0.340 nan 8.370 nan 0.000 0.497 149 P HA 0.263 nan 4.420 nan 0.000 0.276 149 P C -2.312 174.659 177.300 -0.549 0.000 1.261 149 P CA -1.244 61.578 63.100 -0.463 0.000 0.800 149 P CB 1.120 32.672 31.700 -0.248 0.000 1.066 150 P HA 0.112 nan 4.420 nan 0.000 0.258 150 P C 1.060 178.127 177.300 -0.387 0.000 1.416 150 P CA -0.085 62.685 63.100 -0.549 0.000 0.927 150 P CB -0.305 31.066 31.700 -0.549 0.000 1.444 151 F N 1.650 121.476 119.950 -0.208 0.000 2.120 151 F HA -0.088 4.440 4.527 0.001 0.000 0.300 151 F C 2.601 178.209 175.800 -0.320 0.000 1.095 151 F CA 2.132 60.027 58.000 -0.174 0.000 1.249 151 F CB -1.827 37.118 39.000 -0.091 0.000 0.995 151 F HN 0.064 nan 8.300 nan 0.000 0.480 152 G N -0.591 107.952 108.800 -0.428 0.000 2.625 152 G HA2 -0.059 3.901 3.960 0.001 0.000 0.214 152 G HA3 -0.059 3.901 3.960 0.001 0.000 0.214 152 G C 1.373 176.119 174.900 -0.258 0.000 1.132 152 G CA 0.332 45.136 45.100 -0.494 0.000 0.782 152 G HN 0.378 nan 8.290 nan 0.000 0.538 153 L N -1.238 119.864 121.223 -0.201 0.000 2.693 153 L HA 0.362 4.702 4.340 0.001 0.000 0.235 153 L C 1.694 178.500 176.870 -0.106 0.000 1.127 153 L CA 0.036 54.789 54.840 -0.146 0.000 0.914 153 L CB 0.517 42.494 42.059 -0.137 0.000 1.193 153 L HN 0.036 nan 8.230 nan 0.000 0.502 154 R N 0.220 120.667 120.500 -0.088 0.000 2.642 154 R HA 0.235 4.576 4.340 0.001 0.000 0.435 154 R C -0.333 175.946 176.300 -0.036 0.000 1.046 154 R CA -0.099 55.974 56.100 -0.045 0.000 1.103 154 R CB 0.808 31.101 30.300 -0.012 0.000 1.425 154 R HN -0.084 nan 8.270 nan 0.000 0.586 155 K N 0.513 120.864 120.400 -0.082 0.000 2.690 155 K HA 0.240 4.560 4.320 0.001 0.000 0.264 155 K C -2.524 173.977 176.600 -0.164 0.000 1.040 155 K CA -1.593 54.636 56.287 -0.096 0.000 0.946 155 K CB 1.598 34.040 32.500 -0.097 0.000 1.268 155 K HN -0.250 nan 8.250 nan 0.000 0.473 156 P HA -0.219 nan 4.420 nan 0.000 0.216 156 P C 0.910 178.094 177.300 -0.194 0.000 1.150 156 P CA 1.415 64.426 63.100 -0.149 0.000 0.843 156 P CB 0.250 31.907 31.700 -0.070 0.000 0.787 157 S N -1.805 113.811 115.700 -0.140 0.000 2.555 157 S HA -0.086 4.384 4.470 0.001 0.000 0.230 157 S C 1.373 175.866 174.600 -0.177 0.000 0.978 157 S CA 0.682 58.831 58.200 -0.086 0.000 0.934 157 S CB -0.739 62.435 63.200 -0.044 0.000 0.766 157 S HN 0.273 nan 8.310 nan 0.000 0.533 158 Q N 0.372 119.932 119.800 -0.401 0.000 2.110 158 Q HA 0.509 4.849 4.340 0.001 0.000 0.232 158 Q C 0.496 175.997 176.000 -0.831 0.000 0.810 158 Q CA -0.052 55.478 55.803 -0.455 0.000 1.083 158 Q CB 1.416 30.009 28.738 -0.242 0.000 1.193 158 Q HN 0.623 nan 8.270 nan 0.000 0.471 159 G N 0.110 108.028 108.800 -1.469 0.000 2.368 159 G HA2 0.031 3.992 3.960 0.001 0.000 0.269 159 G HA3 0.031 3.992 3.960 0.001 0.000 0.269 159 G C -1.943 172.595 174.900 -0.603 0.000 1.291 159 G CA -0.557 43.869 45.100 -1.123 0.000 0.903 159 G HN 0.072 nan 8.290 nan 0.000 0.483 160 C N 2.200 121.336 119.300 -0.273 0.000 2.319 160 C HA 0.790 5.251 4.460 0.001 0.000 0.323 160 C C -2.181 172.737 174.990 -0.119 0.000 1.277 160 C CA -1.554 57.378 59.018 -0.143 0.000 1.517 160 C CB 0.345 28.053 27.740 -0.053 0.000 2.206 160 C HN 0.566 nan 8.230 nan 0.000 0.486 161 P HA 0.410 nan 4.420 nan 0.000 0.266 161 P C -0.558 176.705 177.300 -0.062 0.000 1.193 161 P CA 0.694 63.745 63.100 -0.081 0.000 0.770 161 P CB 0.535 32.197 31.700 -0.062 0.000 0.836 162 A N 1.544 124.328 122.820 -0.059 0.000 2.569 162 A HA 0.329 4.650 4.320 0.001 0.000 0.292 162 A C -1.644 175.912 177.584 -0.047 0.000 1.032 162 A CA -0.765 51.244 52.037 -0.047 0.000 0.669 162 A CB 0.639 19.611 19.000 -0.047 0.000 1.290 162 A HN 0.409 nan 8.150 nan 0.000 0.422 163 D N 2.829 123.208 120.400 -0.035 0.000 2.308 163 D HA 0.455 5.095 4.640 0.001 0.000 0.251 163 D C -1.954 174.323 176.300 -0.038 0.000 1.127 163 D CA -0.290 53.691 54.000 -0.032 0.000 0.876 163 D CB 1.118 41.906 40.800 -0.021 0.000 1.176 163 D HN 0.417 nan 8.370 nan 0.000 0.446 164 P HA 0.066 nan 4.420 nan 0.000 0.269 164 P C -0.005 177.271 177.300 -0.039 0.000 1.215 164 P CA -0.003 63.065 63.100 -0.052 0.000 0.780 164 P CB 1.378 33.042 31.700 -0.060 0.000 0.898 165 E N 0.459 120.636 120.200 -0.039 0.000 2.415 165 E HA 0.116 4.466 4.350 0.001 0.000 0.197 165 E C 0.318 176.900 176.600 -0.030 0.000 1.007 165 E CA 0.088 56.474 56.400 -0.023 0.000 0.890 165 E CB 0.135 29.828 29.700 -0.011 0.000 0.891 165 E HN 0.413 nan 8.360 nan 0.000 0.496 166 L N 0.448 121.624 121.223 -0.080 0.000 2.334 166 L HA 0.407 4.748 4.340 0.001 0.000 0.275 166 L C 0.478 177.227 176.870 -0.202 0.000 1.036 166 L CA -0.604 54.120 54.840 -0.193 0.000 0.807 166 L CB 1.434 43.268 42.059 -0.375 0.000 1.231 166 L HN -0.069 nan 8.230 nan 0.000 0.438 167 A N 1.799 124.522 122.820 -0.163 0.000 2.640 167 A HA 0.326 4.646 4.320 0.001 0.000 0.282 167 A C -0.284 177.296 177.584 -0.007 0.000 1.357 167 A CA -0.088 51.924 52.037 -0.041 0.000 0.946 167 A CB -0.951 18.078 19.000 0.049 0.000 1.065 167 A HN 0.908 nan 8.150 nan 0.000 0.541 168 H N -4.160 114.901 119.070 -0.016 0.000 3.064 168 H HA 0.543 5.099 4.556 0.001 0.000 0.352 168 H C -1.140 174.216 175.328 0.047 0.000 1.260 168 H CA -0.904 55.093 56.048 -0.085 0.000 1.160 168 H CB 0.250 29.955 29.762 -0.096 0.000 1.879 168 H HN 0.276 nan 8.280 nan 0.000 0.544 169 H N 1.606 120.660 119.070 -0.027 0.000 2.623 169 H HA 0.584 5.140 4.556 0.001 0.000 0.299 169 H C -0.591 174.697 175.328 -0.066 0.000 1.052 169 H CA -0.942 55.057 56.048 -0.082 0.000 1.231 169 H CB 1.135 30.796 29.762 -0.169 0.000 1.389 169 H HN 0.570 nan 8.280 nan 0.000 0.469 170 S N 1.973 117.675 115.700 0.004 0.000 2.704 170 S HA 0.413 4.883 4.470 0.001 0.000 0.305 170 S C -0.062 174.274 174.600 -0.440 0.000 1.107 170 S CA -0.859 57.126 58.200 -0.358 0.000 0.993 170 S CB 2.256 64.935 63.200 -0.869 0.000 1.110 170 S HN 0.225 nan 8.310 nan 0.000 0.534 171 V N 2.249 121.835 119.914 -0.548 0.000 2.398 171 V HA 0.452 4.573 4.120 0.001 0.000 0.286 171 V C -1.385 174.286 176.094 -0.705 0.000 1.026 171 V CA -0.354 61.691 62.300 -0.426 0.000 0.868 171 V CB 0.315 31.966 31.823 -0.286 0.000 0.982 171 V HN 0.761 nan 8.190 nan 0.000 0.443 172 Y N 3.336 123.198 120.300 -0.729 0.000 2.587 172 Y HA 0.704 5.255 4.550 0.000 0.000 0.337 172 Y C 0.303 175.695 175.900 -0.846 0.000 1.065 172 Y CA -0.968 56.634 58.100 -0.829 0.000 1.126 172 Y CB 1.692 39.508 38.460 -1.074 0.000 1.279 172 Y HN 0.478 nan 8.280 nan 0.000 0.489 173 R N 2.385 122.503 120.500 -0.638 0.000 2.476 173 R HA 0.530 4.870 4.340 0.001 0.000 0.305 173 R C -2.101 173.965 176.300 -0.390 0.000 0.965 173 R CA -0.585 54.954 56.100 -0.935 0.000 0.867 173 R CB 0.926 30.330 30.300 -1.493 0.000 1.176 173 R HN 0.845 nan 8.270 nan 0.000 0.447 174 L N 7.296 128.394 121.223 -0.208 0.000 2.277 174 L HA 0.535 4.876 4.340 0.001 0.000 0.284 174 L C -2.341 174.506 176.870 -0.038 0.000 1.028 174 L CA -2.237 52.585 54.840 -0.030 0.000 0.835 174 L CB 1.799 43.915 42.059 0.095 0.000 1.215 174 L HN 0.569 nan 8.230 nan 0.000 0.425 175 P HA 0.108 nan 4.420 nan 0.000 0.269 175 P C -2.106 175.214 177.300 0.032 0.000 1.209 175 P CA -0.963 62.143 63.100 0.010 0.000 0.776 175 P CB 0.316 32.026 31.700 0.017 0.000 0.876 176 P HA -0.105 nan 4.420 nan 0.000 0.217 176 P C 0.321 177.644 177.300 0.037 0.000 1.154 176 P CA 1.339 64.468 63.100 0.048 0.000 0.841 176 P CB 0.238 31.976 31.700 0.062 0.000 0.790 177 D N 0.733 121.156 120.400 0.039 0.000 1.536 177 D HA 0.055 4.696 4.640 0.001 0.000 0.316 177 D C 1.210 177.524 176.300 0.024 0.000 1.120 177 D CA 0.844 54.862 54.000 0.031 0.000 0.929 177 D CB -1.112 39.708 40.800 0.033 0.000 1.553 177 D HN 0.016 nan 8.370 nan 0.000 0.511 178 G N -0.560 108.253 108.800 0.022 0.000 2.356 178 G HA2 0.406 4.366 3.960 0.001 0.000 0.298 178 G HA3 0.406 4.366 3.960 0.001 0.000 0.298 178 G C 0.443 175.354 174.900 0.018 0.000 1.145 178 G CA -0.341 44.769 45.100 0.016 0.000 0.850 178 G HN 0.148 nan 8.290 nan 0.000 0.487 179 S N 2.094 117.803 115.700 0.015 0.000 2.280 179 S HA 0.190 4.661 4.470 0.001 0.000 0.204 179 S C -1.470 173.140 174.600 0.017 0.000 1.402 179 S CA -0.051 58.160 58.200 0.017 0.000 1.162 179 S CB -0.368 62.842 63.200 0.018 0.000 0.673 179 S HN 0.553 nan 8.310 nan 0.000 0.428 180 P HA 0.347 nan 4.420 nan 0.000 0.297 180 P C -0.636 176.694 177.300 0.051 0.000 1.307 180 P CA -0.708 62.406 63.100 0.024 0.000 0.773 180 P CB 0.248 31.953 31.700 0.007 0.000 1.265 181 L N 0.556 121.833 121.223 0.089 0.000 2.514 181 L HA -0.005 4.335 4.340 0.001 0.000 0.280 181 L C 0.403 177.405 176.870 0.220 0.000 1.223 181 L CA 0.694 55.624 54.840 0.150 0.000 0.864 181 L CB -0.062 42.129 42.059 0.220 0.000 1.118 181 L HN 0.337 nan 8.230 nan 0.000 0.494 182 Q N 3.677 123.551 119.800 0.124 0.000 2.341 182 Q HA 0.315 4.655 4.340 0.001 0.000 0.268 182 Q C -0.664 175.317 176.000 -0.032 0.000 1.013 182 Q CA -0.563 55.276 55.803 0.060 0.000 0.798 182 Q CB 2.026 30.711 28.738 -0.089 0.000 1.253 182 Q HN 0.378 nan 8.270 nan 0.000 0.457 183 R N 3.570 124.026 120.500 -0.074 0.000 2.291 183 R HA 0.112 4.453 4.340 0.001 0.000 0.333 183 R C 0.330 176.387 176.300 -0.404 0.000 1.082 183 R CA -0.022 55.782 56.100 -0.494 0.000 0.948 183 R CB 0.443 30.426 30.300 -0.528 0.000 1.009 183 R HN 0.672 nan 8.270 nan 0.000 0.460 184 M N 2.404 121.703 119.600 -0.501 0.000 2.486 184 M HA 0.272 4.752 4.480 0.001 0.000 0.264 184 M C 0.252 176.328 176.300 -0.374 0.000 1.125 184 M CA 0.458 55.537 55.300 -0.368 0.000 1.144 184 M CB -0.081 32.298 32.600 -0.367 0.000 1.353 184 M HN 0.581 nan 8.290 nan 0.000 0.466 185 A N 0.072 122.623 122.820 -0.448 0.000 2.590 185 A HA 0.540 4.860 4.320 0.001 0.000 0.294 185 A C -1.792 175.601 177.584 -0.318 0.000 1.046 185 A CA -0.936 50.881 52.037 -0.366 0.000 0.684 185 A CB 0.933 19.621 19.000 -0.520 0.000 1.279 185 A HN 0.160 nan 8.150 nan 0.000 0.415 186 D N 0.705 120.993 120.400 -0.186 0.000 2.256 186 D HA 0.741 5.381 4.640 0.001 0.000 0.246 186 D C -0.528 175.760 176.300 -0.020 0.000 1.042 186 D CA 0.101 54.026 54.000 -0.125 0.000 0.841 186 D CB 1.786 42.515 40.800 -0.119 0.000 1.223 186 D HN 0.357 nan 8.370 nan 0.000 0.470 187 L N 0.508 121.739 121.223 0.013 0.000 2.223 187 L HA 0.402 4.742 4.340 0.001 0.000 0.243 187 L C -0.277 176.632 176.870 0.065 0.000 1.105 187 L CA -0.870 54.019 54.840 0.082 0.000 0.943 187 L CB 0.979 43.129 42.059 0.152 0.000 1.542 187 L HN 0.095 nan 8.230 nan 0.000 0.437 188 D N -0.118 120.362 120.400 0.134 0.000 2.454 188 D HA 0.229 4.869 4.640 0.001 0.000 0.225 188 D C -0.495 176.023 176.300 0.363 0.000 1.081 188 D CA -0.012 54.104 54.000 0.194 0.000 0.864 188 D CB -0.058 40.852 40.800 0.182 0.000 1.040 188 D HN 0.504 nan 8.370 nan 0.000 0.517 189 H N 1.649 120.921 119.070 0.337 0.000 2.750 189 H HA -0.108 4.448 4.556 0.001 0.000 0.327 189 H C -2.120 173.325 175.328 0.194 0.000 1.199 189 H CA 0.177 56.287 56.048 0.103 0.000 1.149 189 H CB -1.112 28.668 29.762 0.029 0.000 1.543 189 H HN 0.443 nan 8.280 nan 0.000 0.427 190 P HA -0.032 nan 4.420 nan 0.000 0.266 190 P C 0.702 178.171 177.300 0.282 0.000 1.195 190 P CA 0.347 63.589 63.100 0.235 0.000 0.768 190 P CB 1.352 33.145 31.700 0.156 0.000 0.838 191 N N 1.831 120.709 118.700 0.296 0.000 3.327 191 N HA 0.144 4.884 4.740 0.001 0.000 0.196 191 N C 0.648 176.272 175.510 0.191 0.000 1.296 191 N CA 0.381 53.610 53.050 0.298 0.000 1.122 191 N CB -0.079 38.607 38.487 0.332 0.000 1.279 191 N HN 0.452 nan 8.380 nan 0.000 0.559 192 G N 0.781 109.675 108.800 0.156 0.000 2.528 192 G HA2 0.578 4.538 3.960 0.001 0.000 0.289 192 G HA3 0.578 4.538 3.960 0.001 0.000 0.289 192 G C -0.503 174.252 174.900 -0.242 0.000 1.192 192 G CA -0.196 44.807 45.100 -0.160 0.000 0.921 192 G HN 0.531 nan 8.290 nan 0.000 0.512 193 L N -2.592 118.288 121.223 -0.572 0.000 2.710 193 L HA 0.919 5.259 4.340 0.001 0.000 0.260 193 L C -0.768 175.925 176.870 -0.295 0.000 0.993 193 L CA -1.232 53.462 54.840 -0.243 0.000 0.877 193 L CB 1.787 43.797 42.059 -0.081 0.000 1.461 193 L HN 1.265 nan 8.230 nan 0.000 0.413 194 A N 1.101 123.921 122.820 -0.000 0.000 2.590 194 A HA 0.722 5.042 4.320 0.001 0.000 0.296 194 A C -1.871 175.760 177.584 0.078 0.000 1.050 194 A CA -0.425 51.661 52.037 0.081 0.000 0.697 194 A CB 0.965 20.134 19.000 0.282 0.000 1.277 194 A HN 0.654 nan 8.150 nan 0.000 0.411 195 F N 1.616 121.612 119.950 0.077 0.000 2.378 195 F HA 0.529 5.057 4.527 0.001 0.000 0.325 195 F C 1.526 177.425 175.800 0.165 0.000 1.097 195 F CA 0.511 58.518 58.000 0.013 0.000 1.079 195 F CB 1.861 40.795 39.000 -0.110 0.000 1.240 195 F HN 0.740 nan 8.300 nan 0.000 0.519 196 S N 2.430 118.374 115.700 0.408 0.000 2.624 196 S HA 0.213 4.683 4.470 0.001 0.000 0.263 196 S C -1.794 172.951 174.600 0.240 0.000 1.287 196 S CA -1.066 57.349 58.200 0.358 0.000 0.990 196 S CB 0.934 64.292 63.200 0.263 0.000 0.950 196 S HN 0.441 nan 8.310 nan 0.000 0.561 197 P HA -0.166 nan 4.420 nan 0.000 0.216 197 P C 0.687 178.030 177.300 0.072 0.000 1.153 197 P CA 1.674 64.841 63.100 0.112 0.000 0.858 197 P CB -0.336 31.415 31.700 0.085 0.000 0.789 198 D N -0.748 119.698 120.400 0.077 0.000 2.349 198 D HA -0.093 4.547 4.640 0.001 0.000 0.224 198 D C 0.560 176.873 176.300 0.023 0.000 1.029 198 D CA 0.008 54.034 54.000 0.044 0.000 0.879 198 D CB -0.954 39.877 40.800 0.052 0.000 0.906 198 D HN 0.212 nan 8.370 nan 0.000 0.528 199 E N -0.933 119.283 120.200 0.027 0.000 3.065 199 E HA -0.303 4.048 4.350 0.001 0.000 0.277 199 E C 0.779 177.468 176.600 0.147 0.000 1.008 199 E CA 0.678 57.036 56.400 -0.071 0.000 0.864 199 E CB -1.320 28.146 29.700 -0.390 0.000 1.439 199 E HN 0.528 nan 8.360 nan 0.000 0.445 200 Q N -0.526 119.365 119.800 0.152 0.000 2.398 200 Q HA 0.031 4.372 4.340 0.001 0.000 0.204 200 Q C 0.259 176.374 176.000 0.191 0.000 0.932 200 Q CA 0.845 56.743 55.803 0.159 0.000 0.916 200 Q CB 0.676 29.466 28.738 0.086 0.000 1.024 200 Q HN 0.060 nan 8.270 nan 0.000 0.504 201 T N 0.663 115.299 114.554 0.138 0.000 2.861 201 T HA 0.443 4.794 4.350 0.001 0.000 0.287 201 T C -1.227 173.358 174.700 -0.192 0.000 1.003 201 T CA -0.485 61.570 62.100 -0.075 0.000 0.977 201 T CB 1.749 70.425 68.868 -0.320 0.000 0.996 201 T HN 0.039 nan 8.240 nan 0.000 0.448 202 L N 4.076 125.119 121.223 -0.300 0.000 2.313 202 L HA 0.570 4.911 4.340 0.001 0.000 0.283 202 L C -1.437 175.199 176.870 -0.391 0.000 1.013 202 L CA -0.883 53.636 54.840 -0.534 0.000 0.816 202 L CB 0.872 42.524 42.059 -0.678 0.000 1.236 202 L HN 0.721 nan 8.230 nan 0.000 0.419 203 Y N 3.861 124.090 120.300 -0.118 0.000 2.342 203 Y HA 0.563 5.113 4.550 0.001 0.000 0.334 203 Y C -0.004 176.019 175.900 0.205 0.000 1.067 203 Y CA -0.707 57.371 58.100 -0.036 0.000 1.128 203 Y CB 1.957 40.308 38.460 -0.181 0.000 1.200 203 Y HN 0.195 nan 8.280 nan 0.000 0.464 204 V N 2.508 122.657 119.914 0.392 0.000 2.668 204 V HA 0.363 4.483 4.120 0.001 0.000 0.304 204 V C -0.572 175.750 176.094 0.380 0.000 1.071 204 V CA -1.098 61.455 62.300 0.421 0.000 0.894 204 V CB 1.908 33.930 31.823 0.333 0.000 1.008 204 V HN 0.849 nan 8.190 nan 0.000 0.425 205 S N 4.129 120.119 115.700 0.483 0.000 2.616 205 S HA 0.715 5.186 4.470 0.001 0.000 0.277 205 S C -0.659 174.117 174.600 0.294 0.000 1.234 205 S CA -0.741 57.670 58.200 0.351 0.000 1.028 205 S CB 1.530 65.003 63.200 0.455 0.000 0.988 205 S HN 0.718 nan 8.310 nan 0.000 0.522 206 Q N 0.894 120.839 119.800 0.242 0.000 2.310 206 Q HA 0.459 4.799 4.340 0.001 0.000 0.270 206 Q C -0.926 175.226 176.000 0.253 0.000 1.025 206 Q CA -0.520 55.436 55.803 0.255 0.000 0.772 206 Q CB 2.097 30.961 28.738 0.210 0.000 1.253 206 Q HN 0.904 nan 8.270 nan 0.000 0.450 207 T N -0.973 113.774 114.554 0.322 0.000 3.466 207 T HA 0.369 4.720 4.350 0.001 0.000 0.297 207 T C -2.363 172.497 174.700 0.267 0.000 1.640 207 T CA -1.700 60.572 62.100 0.285 0.000 1.631 207 T CB 0.281 69.322 68.868 0.288 0.000 0.928 207 T HN 0.259 nan 8.240 nan 0.000 0.688 208 P HA 0.169 nan 4.420 nan 0.000 0.275 208 P C 0.519 177.774 177.300 -0.074 0.000 1.266 208 P CA -0.352 62.670 63.100 -0.130 0.000 0.793 208 P CB 0.775 32.501 31.700 0.042 0.000 1.074 214 S N 0.718 116.467 115.700 0.081 0.000 2.548 214 S HA 0.514 4.984 4.470 0.001 0.000 0.277 214 S C 0.259 174.924 174.600 0.109 0.000 1.315 214 S CA -0.218 58.033 58.200 0.085 0.000 1.050 214 S CB 1.144 64.397 63.200 0.088 0.000 0.918 214 S HN 0.327 nan 8.310 nan 0.000 0.497 215 V N 6.346 126.322 119.914 0.104 0.000 2.368 215 V HA 0.487 4.608 4.120 0.001 0.000 0.266 215 V C 0.191 176.355 176.094 0.116 0.000 1.045 215 V CA -0.059 62.311 62.300 0.116 0.000 0.899 215 V CB 0.083 31.968 31.823 0.103 0.000 1.006 215 V HN 0.996 nan 8.190 nan 0.000 0.470 216 E N 4.936 125.203 120.200 0.112 0.000 2.435 216 E HA 0.553 4.904 4.350 0.001 0.000 0.277 216 E C -1.593 175.012 176.600 0.008 0.000 1.106 216 E CA -1.087 55.347 56.400 0.057 0.000 0.868 216 E CB 1.681 31.445 29.700 0.106 0.000 1.454 216 E HN 0.342 nan 8.360 nan 0.000 0.452 217 I N 1.479 121.970 120.570 -0.132 0.000 2.339 217 I HA 0.334 4.504 4.170 0.001 0.000 0.290 217 I C -0.618 175.423 176.117 -0.126 0.000 0.994 217 I CA -0.562 60.656 61.300 -0.138 0.000 1.191 217 I CB 1.825 39.648 38.000 -0.295 0.000 1.343 217 I HN 0.479 nan 8.210 nan 0.000 0.458 218 T N 4.993 119.527 114.554 -0.034 0.000 2.895 218 T HA 0.706 5.057 4.350 0.001 0.000 0.283 218 T C -0.179 174.455 174.700 -0.109 0.000 1.014 218 T CA -0.603 61.435 62.100 -0.103 0.000 1.037 218 T CB 1.881 70.666 68.868 -0.137 0.000 1.006 218 T HN 0.656 nan 8.240 nan 0.000 0.468 219 A N 2.116 124.802 122.820 -0.223 0.000 2.350 219 A HA 0.867 5.187 4.320 0.001 0.000 0.324 219 A C -1.300 176.047 177.584 -0.394 0.000 1.118 219 A CA -0.646 51.243 52.037 -0.246 0.000 0.783 219 A CB 0.618 19.539 19.000 -0.133 0.000 1.236 219 A HN 0.695 nan 8.150 nan 0.000 0.457 220 F N 0.479 120.343 119.950 -0.143 0.000 2.577 220 F HA 0.666 5.193 4.527 0.001 0.000 0.318 220 F C 0.608 176.399 175.800 -0.015 0.000 1.065 220 F CA -0.438 57.534 58.000 -0.047 0.000 0.929 220 F CB 2.361 41.338 39.000 -0.039 0.000 1.237 220 F HN 0.686 nan 8.300 nan 0.000 0.468 221 A N 2.140 125.141 122.820 0.302 0.000 2.260 221 A HA 0.278 4.599 4.320 0.001 0.000 0.308 221 A C -1.250 176.567 177.584 0.388 0.000 1.254 221 A CA -0.467 51.728 52.037 0.264 0.000 0.874 221 A CB 0.193 19.331 19.000 0.231 0.000 1.153 221 A HN 0.907 nan 8.150 nan 0.000 0.527 222 W N 6.523 127.907 121.300 0.139 0.000 2.295 222 W HA 0.507 5.167 4.660 0.001 0.000 0.333 222 W C -0.364 176.249 176.519 0.157 0.000 0.990 222 W CA -0.708 56.736 57.345 0.164 0.000 1.453 222 W CB 0.311 29.898 29.460 0.211 0.000 1.263 222 W HN 0.821 nan 8.180 nan 0.000 0.380 223 R N 3.812 124.271 120.500 -0.070 0.000 2.698 223 R HA 0.523 4.863 4.340 0.001 0.000 0.275 223 R C -0.594 175.567 176.300 -0.232 0.000 1.001 223 R CA -0.476 55.488 56.100 -0.227 0.000 0.896 223 R CB 1.885 32.169 30.300 -0.026 0.000 1.218 223 R HN 0.469 nan 8.270 nan 0.000 0.462 224 D N 0.712 120.930 120.400 -0.303 0.000 3.624 224 D HA -0.201 4.440 4.640 0.001 0.000 0.176 224 D C 0.473 176.575 176.300 -0.331 0.000 1.162 224 D CA 2.390 56.272 54.000 -0.197 0.000 1.089 224 D CB -1.151 39.641 40.800 -0.013 0.000 0.579 224 D HN 0.876 nan 8.370 nan 0.000 0.658 225 G N -0.276 108.457 108.800 -0.111 0.000 3.805 225 G HA2 0.633 4.594 3.960 0.001 0.000 0.290 225 G HA3 0.633 4.594 3.960 0.001 0.000 0.290 225 G C -0.351 174.669 174.900 0.200 0.000 1.077 225 G CA 0.906 46.002 45.100 -0.006 0.000 0.852 225 G HN 0.665 nan 8.290 nan 0.000 0.531 226 A N -0.313 122.613 122.820 0.178 0.000 2.581 226 A HA 0.757 5.077 4.320 0.001 0.000 0.290 226 A C -1.378 176.328 177.584 0.203 0.000 1.119 226 A CA -0.675 51.493 52.037 0.219 0.000 0.670 226 A CB 0.779 19.718 19.000 -0.101 0.000 1.280 226 A HN 0.157 nan 8.150 nan 0.000 0.425 227 L N 1.962 123.203 121.223 0.031 0.000 2.292 227 L HA 0.506 4.847 4.340 0.001 0.000 0.284 227 L C -0.177 176.591 176.870 -0.169 0.000 1.065 227 L CA -0.508 54.364 54.840 0.054 0.000 0.806 227 L CB 0.881 42.852 42.059 -0.146 0.000 1.175 227 L HN 0.707 nan 8.230 nan 0.000 0.431 228 H N 1.563 120.801 119.070 0.280 0.000 2.869 228 H HA 0.215 4.771 4.556 0.001 0.000 0.342 228 H C -0.697 174.762 175.328 0.217 0.000 1.250 228 H CA -0.804 55.372 56.048 0.212 0.000 1.217 228 H CB 1.599 31.441 29.762 0.133 0.000 1.917 228 H HN 0.560 nan 8.280 nan 0.000 0.586 229 D N 1.038 121.610 120.400 0.287 0.000 2.810 229 D HA -0.211 4.429 4.640 0.001 0.000 0.224 229 D C 0.445 176.780 176.300 0.058 0.000 1.222 229 D CA 0.600 54.689 54.000 0.148 0.000 0.698 229 D CB -0.646 40.223 40.800 0.115 0.000 0.961 229 D HN 0.396 nan 8.370 nan 0.000 0.403 230 R N 1.419 121.930 120.500 0.018 0.000 2.570 230 R HA 0.189 4.529 4.340 0.001 0.000 0.277 230 R C 0.770 176.951 176.300 -0.200 0.000 1.039 230 R CA 0.239 56.171 56.100 -0.278 0.000 1.065 230 R CB 0.584 30.786 30.300 -0.162 0.000 0.964 230 R HN 0.453 nan 8.270 nan 0.000 0.428 231 R N 2.283 122.621 120.500 -0.270 0.000 2.663 231 R HA 0.167 4.508 4.340 0.001 0.000 0.267 231 R C -1.299 174.966 176.300 -0.057 0.000 1.038 231 R CA -1.051 54.991 56.100 -0.096 0.000 0.886 231 R CB 0.638 30.922 30.300 -0.027 0.000 1.249 231 R HN 0.612 nan 8.270 nan 0.000 0.463 232 H N 2.461 121.492 119.070 -0.065 0.000 2.803 232 H HA 0.073 4.629 4.556 0.001 0.000 0.330 232 H C -0.791 174.542 175.328 0.009 0.000 1.057 232 H CA 0.314 56.339 56.048 -0.039 0.000 1.458 232 H CB 0.846 30.578 29.762 -0.051 0.000 1.470 232 H HN 0.699 nan 8.280 nan 0.000 0.560 233 F N 3.945 123.544 119.950 -0.584 0.000 2.419 233 F HA 0.445 4.972 4.527 0.001 0.000 0.283 233 F C -0.110 175.337 175.800 -0.588 0.000 1.044 233 F CA 0.775 58.533 58.000 -0.404 0.000 1.376 233 F CB 0.550 39.403 39.000 -0.244 0.000 1.131 233 F HN 0.661 nan 8.300 nan 0.000 0.585 234 A N -0.411 121.817 122.820 -0.987 0.000 2.586 234 A HA 0.632 4.952 4.320 0.001 0.000 0.291 234 A C -1.265 176.033 177.584 -0.476 0.000 1.062 234 A CA -0.498 51.042 52.037 -0.829 0.000 0.666 234 A CB 0.722 18.877 19.000 -1.408 0.000 1.281 234 A HN 0.030 nan 8.150 nan 0.000 0.421 235 S N -0.015 115.614 115.700 -0.119 0.000 2.521 235 S HA 0.664 5.135 4.470 0.001 0.000 0.295 235 S C -0.108 174.561 174.600 0.114 0.000 1.098 235 S CA -0.309 57.922 58.200 0.052 0.000 0.999 235 S CB 1.561 64.853 63.200 0.153 0.000 1.034 235 S HN 1.736 nan 8.310 nan 0.000 0.483 236 V N 1.740 121.739 119.914 0.142 0.000 2.686 236 V HA 0.425 4.545 4.120 0.001 0.000 0.295 236 V C -1.939 174.221 176.094 0.111 0.000 1.057 236 V CA -1.551 60.875 62.300 0.210 0.000 1.012 236 V CB 0.079 32.023 31.823 0.201 0.000 1.006 236 V HN 0.598 nan 8.190 nan 0.000 0.477 237 P HA -0.051 nan 4.420 nan 0.000 0.216 237 P C -0.003 177.298 177.300 0.002 0.000 1.153 237 P CA 1.480 64.581 63.100 0.001 0.000 0.858 237 P CB 0.109 31.766 31.700 -0.071 0.000 0.789 238 D N -2.147 118.261 120.400 0.014 0.000 2.819 238 D HA 0.437 5.078 4.640 0.001 0.000 0.232 238 D C 0.491 176.821 176.300 0.049 0.000 1.160 238 D CA 0.190 54.201 54.000 0.018 0.000 0.858 238 D CB 2.435 43.229 40.800 -0.011 0.000 1.610 238 D HN 0.126 nan 8.370 nan 0.000 0.481 239 G N 0.575 109.403 108.800 0.047 0.000 2.598 239 G HA2 -0.218 3.743 3.960 0.001 0.000 0.244 239 G HA3 -0.218 3.743 3.960 0.001 0.000 0.244 239 G C -0.815 174.133 174.900 0.080 0.000 1.302 239 G CA -0.501 44.635 45.100 0.060 0.000 0.903 239 G HN 0.484 nan 8.290 nan 0.000 0.575 240 L N 1.673 122.951 121.223 0.091 0.000 2.317 240 L HA 0.510 4.851 4.340 0.001 0.000 0.281 240 L C -1.891 175.066 176.870 0.144 0.000 1.024 240 L CA -1.951 52.957 54.840 0.115 0.000 0.810 240 L CB 2.376 44.502 42.059 0.111 0.000 1.240 240 L HN 0.429 nan 8.230 nan 0.000 0.427 241 P HA 0.069 nan 4.420 nan 0.000 0.247 241 P C -0.440 177.028 177.300 0.280 0.000 1.756 241 P CA -0.123 63.105 63.100 0.212 0.000 1.117 241 P CB 1.076 32.868 31.700 0.152 0.000 1.869 242 D N 3.279 123.827 120.400 0.246 0.000 2.074 242 D HA -0.029 4.611 4.640 0.001 0.000 0.221 242 D C 0.912 177.361 176.300 0.250 0.000 0.972 242 D CA 1.215 55.349 54.000 0.223 0.000 0.901 242 D CB -0.123 40.772 40.800 0.158 0.000 1.047 242 D HN 0.304 nan 8.370 nan 0.000 0.453 243 G N -1.351 107.568 108.800 0.198 0.000 2.441 243 G HA2 0.551 4.511 3.960 0.001 0.000 0.334 243 G HA3 0.551 4.511 3.960 0.001 0.000 0.334 243 G C -1.009 174.013 174.900 0.203 0.000 1.161 243 G CA -0.475 44.665 45.100 0.068 0.000 0.935 243 G HN 0.357 nan 8.290 nan 0.000 0.488 244 F N -1.325 118.710 119.950 0.142 0.000 2.773 244 F HA 0.707 5.234 4.527 0.001 0.000 0.314 244 F C -0.333 175.568 175.800 0.168 0.000 1.160 244 F CA -1.946 56.153 58.000 0.164 0.000 0.920 244 F CB 0.611 39.706 39.000 0.160 0.000 1.323 244 F HN 0.815 nan 8.300 nan 0.000 0.457 245 C N -0.047 119.549 119.300 0.494 0.000 3.236 245 C HA 0.969 5.430 4.460 0.001 0.000 0.312 245 C C -1.239 174.044 174.990 0.488 0.000 1.374 245 C CA -1.086 58.168 59.018 0.392 0.000 1.455 245 C CB 1.370 29.287 27.740 0.294 0.000 1.834 245 C HN 0.918 nan 8.230 nan 0.000 0.460 246 V N 2.472 122.620 119.914 0.390 0.000 2.588 246 V HA 0.509 4.630 4.120 0.001 0.000 0.304 246 V C -0.465 175.793 176.094 0.273 0.000 1.042 246 V CA 0.005 62.528 62.300 0.372 0.000 0.877 246 V CB 1.807 33.811 31.823 0.303 0.000 0.996 246 V HN 1.120 nan 8.190 nan 0.000 0.425 247 D N 3.496 124.048 120.400 0.253 0.000 2.432 247 D HA 0.280 4.920 4.640 0.001 0.000 0.258 247 D C 0.919 177.209 176.300 -0.017 0.000 1.146 247 D CA -0.826 53.159 54.000 -0.025 0.000 1.015 247 D CB 0.908 41.577 40.800 -0.218 0.000 1.107 247 D HN 0.185 nan 8.370 nan 0.000 0.529 248 R N -0.519 119.910 120.500 -0.119 0.000 2.200 248 R HA 0.065 4.405 4.340 0.001 0.000 0.234 248 R C 2.021 178.273 176.300 -0.079 0.000 1.127 248 R CA 1.576 57.629 56.100 -0.079 0.000 0.989 248 R CB -0.617 29.617 30.300 -0.110 0.000 0.869 248 R HN 0.686 nan 8.270 nan 0.000 0.459 249 G N -2.201 106.504 108.800 -0.159 0.000 2.813 249 G HA2 0.174 4.135 3.960 0.001 0.000 0.209 249 G HA3 0.174 4.135 3.960 0.001 0.000 0.209 249 G C 0.876 175.738 174.900 -0.064 0.000 1.150 249 G CA 0.440 45.412 45.100 -0.213 0.000 0.785 249 G HN 0.477 nan 8.290 nan 0.000 0.535 250 G N -1.891 106.954 108.800 0.075 0.000 2.176 250 G HA2 -0.226 3.734 3.960 0.001 0.000 0.232 250 G HA3 -0.226 3.734 3.960 0.001 0.000 0.232 250 G C 0.177 175.323 174.900 0.411 0.000 0.986 250 G CA -0.142 45.099 45.100 0.235 0.000 0.643 250 G HN 0.200 nan 8.290 nan 0.000 0.522 251 W N 0.440 121.875 121.300 0.225 0.000 2.218 251 W HA 0.694 5.354 4.660 0.001 0.000 0.326 251 W C 0.558 177.263 176.519 0.311 0.000 1.276 251 W CA -1.156 56.326 57.345 0.228 0.000 1.210 251 W CB 0.456 30.053 29.460 0.229 0.000 1.143 251 W HN 0.192 nan 8.180 nan 0.000 0.563 252 L N 4.064 125.531 121.223 0.407 0.000 2.280 252 L HA 0.424 4.764 4.340 0.001 0.000 0.287 252 L C -1.304 175.806 176.870 0.400 0.000 1.023 252 L CA -0.542 54.497 54.840 0.332 0.000 0.819 252 L CB 0.465 42.470 42.059 -0.090 0.000 1.212 252 L HN 0.329 nan 8.230 nan 0.000 0.420 253 W N 4.511 125.998 121.300 0.312 0.000 2.291 253 W HA 0.504 5.165 4.660 0.001 0.000 0.312 253 W C 0.221 176.904 176.519 0.274 0.000 1.061 253 W CA -0.420 57.086 57.345 0.268 0.000 1.296 253 W CB 1.511 31.136 29.460 0.274 0.000 1.223 253 W HN 0.387 nan 8.180 nan 0.000 0.421 254 S N 2.517 118.461 115.700 0.407 0.000 2.532 254 S HA 0.664 5.135 4.470 0.001 0.000 0.301 254 S C 0.204 174.976 174.600 0.287 0.000 1.083 254 S CA -0.637 57.796 58.200 0.389 0.000 1.025 254 S CB 0.704 64.099 63.200 0.325 0.000 1.056 254 S HN 0.397 nan 8.310 nan 0.000 0.494 255 S N 2.843 118.712 115.700 0.282 0.000 2.600 255 S HA 0.731 5.202 4.470 0.001 0.000 0.265 255 S C 0.113 174.824 174.600 0.185 0.000 1.325 255 S CA -0.052 58.267 58.200 0.198 0.000 1.002 255 S CB 0.703 64.014 63.200 0.185 0.000 0.921 255 S HN 1.436 nan 8.310 nan 0.000 0.554 256 S N -0.595 115.190 115.700 0.142 0.000 2.661 256 S HA 0.617 5.087 4.470 0.001 0.000 0.268 256 S C 0.796 175.456 174.600 0.101 0.000 1.162 256 S CA -0.507 57.773 58.200 0.133 0.000 0.817 256 S CB 0.572 63.865 63.200 0.155 0.000 1.141 256 S HN 1.134 nan 8.310 nan 0.000 0.477 257 G N 0.250 109.101 108.800 0.083 0.000 2.471 257 G HA2 0.080 4.041 3.960 0.001 0.000 0.219 257 G HA3 0.080 4.041 3.960 0.001 0.000 0.219 257 G C 1.055 175.986 174.900 0.052 0.000 1.125 257 G CA 1.428 46.561 45.100 0.055 0.000 0.775 257 G HN 1.379 nan 8.290 nan 0.000 0.548 258 T N -3.796 110.813 114.554 0.091 0.000 3.044 258 T HA 0.544 4.895 4.350 0.001 0.000 0.260 258 T C 0.904 175.686 174.700 0.136 0.000 1.019 258 T CA 0.858 63.023 62.100 0.109 0.000 0.921 258 T CB 1.064 69.984 68.868 0.088 0.000 1.053 258 T HN 1.087 nan 8.240 nan 0.000 0.533 259 G N 0.615 109.459 108.800 0.074 0.000 2.332 259 G HA2 0.334 4.294 3.960 0.001 0.000 0.265 259 G HA3 0.334 4.294 3.960 0.001 0.000 0.265 259 G C -1.877 172.939 174.900 -0.139 0.000 1.329 259 G CA -0.366 44.638 45.100 -0.160 0.000 0.949 259 G HN 0.338 nan 8.290 nan 0.000 0.476 260 V N 0.125 119.873 119.914 -0.276 0.000 2.427 260 V HA 0.524 4.644 4.120 0.001 0.000 0.286 260 V C 0.197 176.181 176.094 -0.183 0.000 1.034 260 V CA -0.466 61.773 62.300 -0.102 0.000 0.893 260 V CB 0.996 32.834 31.823 0.024 0.000 0.982 260 V HN 0.906 nan 8.190 nan 0.000 0.452 261 C N 4.851 124.115 119.300 -0.061 0.000 2.358 261 C HA 0.712 5.173 4.460 0.001 0.000 0.342 261 C C 0.139 174.888 174.990 -0.402 0.000 1.234 261 C CA -0.757 58.118 59.018 -0.238 0.000 1.969 261 C CB 1.090 28.703 27.740 -0.211 0.000 2.346 261 C HN 0.631 nan 8.230 nan 0.000 0.525 262 V N 3.410 122.901 119.914 -0.705 0.000 2.448 262 V HA 0.560 4.681 4.120 0.001 0.000 0.295 262 V C -0.646 174.914 176.094 -0.890 0.000 1.025 262 V CA -0.230 61.588 62.300 -0.803 0.000 0.859 262 V CB 0.877 32.047 31.823 -1.088 0.000 0.988 262 V HN 0.708 nan 8.190 nan 0.000 0.431 263 F N 2.455 122.180 119.950 -0.375 0.000 2.538 263 F HA 0.610 5.137 4.527 0.001 0.000 0.325 263 F C 0.350 175.975 175.800 -0.291 0.000 1.066 263 F CA -1.041 56.772 58.000 -0.312 0.000 0.946 263 F CB 1.487 40.398 39.000 -0.149 0.000 1.199 263 F HN 0.647 nan 8.300 nan 0.000 0.473 264 D N -0.798 119.526 120.400 -0.126 0.000 2.451 264 D HA 0.150 4.790 4.640 0.001 0.000 0.259 264 D C 1.069 177.535 176.300 0.278 0.000 1.201 264 D CA -0.372 53.614 54.000 -0.023 0.000 1.028 264 D CB 0.492 41.225 40.800 -0.112 0.000 1.095 264 D HN 0.439 nan 8.370 nan 0.000 0.539 265 S N -1.116 114.801 115.700 0.362 0.000 2.469 265 S HA -0.168 4.302 4.470 0.001 0.000 0.238 265 S C 0.727 175.571 174.600 0.406 0.000 0.998 265 S CA 0.741 59.183 58.200 0.402 0.000 0.957 265 S CB -0.356 63.044 63.200 0.333 0.000 0.764 265 S HN 0.489 nan 8.310 nan 0.000 0.514 266 D N 1.088 121.626 120.400 0.231 0.000 2.339 266 D HA 0.249 4.889 4.640 0.001 0.000 0.217 266 D C 1.425 177.701 176.300 -0.040 0.000 1.050 266 D CA 0.739 54.815 54.000 0.128 0.000 0.856 266 D CB 0.170 41.007 40.800 0.061 0.000 0.922 266 D HN 0.615 nan 8.370 nan 0.000 0.518 267 G N 1.783 110.482 108.800 -0.168 0.000 2.157 267 G HA2 -0.296 3.665 3.960 0.001 0.000 0.248 267 G HA3 -0.296 3.665 3.960 0.001 0.000 0.248 267 G C 0.275 175.009 174.900 -0.276 0.000 0.979 267 G CA 0.055 44.713 45.100 -0.736 0.000 0.650 267 G HN 0.429 nan 8.290 nan 0.000 0.529 268 Q N 0.662 120.387 119.800 -0.125 0.000 2.288 268 Q HA 0.508 4.848 4.340 0.001 0.000 0.258 268 Q C 0.517 176.428 176.000 -0.147 0.000 0.957 268 Q CA -0.819 54.910 55.803 -0.124 0.000 0.919 268 Q CB 0.520 29.148 28.738 -0.184 0.000 1.185 268 Q HN 0.292 nan 8.270 nan 0.000 0.408 269 L N 6.547 127.672 121.223 -0.163 0.000 2.462 269 L HA 0.013 4.353 4.340 0.001 0.000 0.272 269 L C 0.045 176.634 176.870 -0.468 0.000 1.166 269 L CA 0.860 55.434 54.840 -0.445 0.000 0.880 269 L CB 0.393 42.229 42.059 -0.371 0.000 1.142 269 L HN 0.985 nan 8.230 nan 0.000 0.473 270 L N 5.080 125.943 121.223 -0.600 0.000 2.470 270 L HA 0.356 4.696 4.340 0.001 0.000 0.219 270 L C 0.963 177.600 176.870 -0.388 0.000 1.071 270 L CA 0.446 54.957 54.840 -0.549 0.000 0.850 270 L CB 0.207 41.807 42.059 -0.765 0.000 1.040 270 L HN 0.820 nan 8.230 nan 0.000 0.475 271 G N -1.723 106.825 108.800 -0.420 0.000 2.322 271 G HA2 0.197 4.158 3.960 0.001 0.000 0.295 271 G HA3 0.197 4.158 3.960 0.001 0.000 0.295 271 G C -2.210 172.546 174.900 -0.240 0.000 1.369 271 G CA -0.563 44.373 45.100 -0.274 0.000 0.821 271 G HN -0.007 nan 8.290 nan 0.000 0.536 272 H N -0.448 118.476 119.070 -0.244 0.000 2.679 272 H HA 0.604 5.161 4.556 0.001 0.000 0.360 272 H C -1.125 174.117 175.328 -0.143 0.000 1.105 272 H CA -0.616 55.309 56.048 -0.204 0.000 1.196 272 H CB 1.899 31.556 29.762 -0.175 0.000 1.636 272 H HN 0.375 nan 8.280 nan 0.000 0.531 273 I N 7.092 127.288 120.570 -0.623 0.000 2.388 273 I HA 0.210 4.381 4.170 0.001 0.000 0.281 273 I C -2.375 173.388 176.117 -0.590 0.000 1.046 273 I CA -1.935 59.115 61.300 -0.417 0.000 1.187 273 I CB 1.515 39.387 38.000 -0.213 0.000 1.351 273 I HN 0.304 nan 8.210 nan 0.000 0.472 274 P HA 0.034 nan 4.420 nan 0.000 0.267 274 P C -0.295 176.808 177.300 -0.328 0.000 1.200 274 P CA 0.148 63.114 63.100 -0.224 0.000 0.772 274 P CB 0.736 32.403 31.700 -0.056 0.000 0.855 275 T N 2.146 116.480 114.554 -0.367 0.000 2.900 275 T HA 0.422 4.773 4.350 0.001 0.000 0.295 275 T C -1.846 172.529 174.700 -0.541 0.000 1.044 275 T CA -2.500 59.192 62.100 -0.680 0.000 0.995 275 T CB 0.998 69.342 68.868 -0.873 0.000 1.072 275 T HN 0.165 nan 8.240 nan 0.000 0.473 276 P HA 0.134 nan 4.420 nan 0.000 0.221 276 P C 0.655 177.907 177.300 -0.080 0.000 1.145 276 P CA 0.730 63.679 63.100 -0.251 0.000 0.795 276 P CB 0.049 31.665 31.700 -0.140 0.000 0.775 277 G N -1.616 107.157 108.800 -0.044 0.000 2.727 277 G HA2 0.392 4.352 3.960 0.001 0.000 0.289 277 G HA3 0.392 4.352 3.960 0.001 0.000 0.289 277 G C -1.159 173.806 174.900 0.108 0.000 1.418 277 G CA -0.322 44.844 45.100 0.110 0.000 0.818 277 G HN -0.208 nan 8.290 nan 0.000 0.486 278 T N 0.688 115.290 114.554 0.081 0.000 2.946 278 T HA 0.438 4.789 4.350 0.001 0.000 0.311 278 T C 0.578 175.355 174.700 0.128 0.000 1.063 278 T CA 0.884 63.015 62.100 0.052 0.000 1.139 278 T CB 0.849 69.703 68.868 -0.023 0.000 0.994 278 T HN 0.974 nan 8.240 nan 0.000 0.547 279 A N 2.122 125.016 122.820 0.122 0.000 2.305 279 A HA 0.570 4.891 4.320 0.001 0.000 0.322 279 A C 1.159 178.799 177.584 0.093 0.000 1.187 279 A CA -0.483 51.667 52.037 0.189 0.000 0.825 279 A CB 0.837 19.942 19.000 0.175 0.000 1.164 279 A HN 0.870 nan 8.150 nan 0.000 0.498 280 S N 1.815 117.551 115.700 0.059 0.000 2.497 280 S HA 0.199 4.669 4.470 0.001 0.000 0.218 280 S C 0.579 175.240 174.600 0.103 0.000 1.023 280 S CA 0.289 58.517 58.200 0.047 0.000 0.913 280 S CB -0.034 63.153 63.200 -0.021 0.000 0.800 280 S HN 0.748 nan 8.310 nan 0.000 0.505 281 N N -0.504 118.259 118.700 0.105 0.000 3.227 281 N HA 0.455 5.196 4.740 0.001 0.000 0.241 281 N C -2.007 173.563 175.510 0.099 0.000 1.480 281 N CA 0.232 53.347 53.050 0.109 0.000 0.886 281 N CB 1.531 40.074 38.487 0.093 0.000 1.406 281 N HN 0.529 nan 8.380 nan 0.000 0.514 282 C N -1.178 118.178 119.300 0.093 0.000 3.312 282 C HA 0.916 5.376 4.460 0.001 0.000 0.332 282 C C -0.546 174.467 174.990 0.038 0.000 1.340 282 C CA -0.466 58.584 59.018 0.052 0.000 1.265 282 C CB 1.269 29.038 27.740 0.048 0.000 1.563 282 C HN 0.786 nan 8.230 nan 0.000 0.471 283 T N 0.111 114.649 114.554 -0.026 0.000 2.786 283 T HA 0.664 5.014 4.350 0.001 0.000 0.316 283 T C -1.819 172.835 174.700 -0.078 0.000 1.503 283 T CA -0.166 61.948 62.100 0.023 0.000 1.019 283 T CB 1.084 70.025 68.868 0.120 0.000 1.415 283 T HN 0.658 nan 8.240 nan 0.000 0.496 284 F N 2.015 121.997 119.950 0.052 0.000 2.497 284 F HA 0.500 5.027 4.527 0.001 0.000 0.331 284 F C 0.905 176.730 175.800 0.042 0.000 1.060 284 F CA -0.465 57.529 58.000 -0.010 0.000 0.989 284 F CB 1.150 40.050 39.000 -0.166 0.000 1.245 284 F HN 0.642 nan 8.300 nan 0.000 0.486 285 D N 0.192 120.662 120.400 0.117 0.000 2.433 285 D HA 0.043 4.683 4.640 0.001 0.000 0.255 285 D C 0.814 176.869 176.300 -0.408 0.000 1.226 285 D CA -0.323 53.355 54.000 -0.536 0.000 1.015 285 D CB 0.353 40.608 40.800 -0.909 0.000 1.091 285 D HN 0.371 nan 8.370 nan 0.000 0.527 286 Q N -0.146 119.260 119.800 -0.656 0.000 2.062 286 Q HA -0.215 4.126 4.340 0.001 0.000 0.209 286 Q C 1.930 177.880 176.000 -0.085 0.000 0.996 286 Q CA 2.534 58.286 55.803 -0.085 0.000 0.859 286 Q CB -0.714 28.110 28.738 0.143 0.000 0.920 286 Q HN 0.727 nan 8.270 nan 0.000 0.415 287 A N 0.012 122.749 122.820 -0.139 0.000 2.206 287 A HA -0.084 4.236 4.320 0.001 0.000 0.211 287 A C 0.495 177.988 177.584 -0.152 0.000 1.158 287 A CA 0.625 52.596 52.037 -0.109 0.000 0.761 287 A CB -0.067 18.880 19.000 -0.088 0.000 0.801 287 A HN 0.540 nan 8.150 nan 0.000 0.473 288 Q N -1.552 118.148 119.800 -0.167 0.000 2.478 288 Q HA -0.213 4.127 4.340 0.001 0.000 0.286 288 Q C 0.010 175.898 176.000 -0.185 0.000 1.299 288 Q CA 0.828 56.465 55.803 -0.276 0.000 0.826 288 Q CB -1.375 27.006 28.738 -0.594 0.000 1.199 288 Q HN 0.728 nan 8.270 nan 0.000 0.451 289 Q N -0.490 119.266 119.800 -0.074 0.000 2.246 289 Q HA 0.212 4.552 4.340 0.001 0.000 0.222 289 Q C 0.011 175.975 176.000 -0.059 0.000 0.851 289 Q CA 0.503 56.269 55.803 -0.061 0.000 0.945 289 Q CB 0.964 29.659 28.738 -0.072 0.000 1.122 289 Q HN 0.334 nan 8.270 nan 0.000 0.508 290 R N 0.477 120.935 120.500 -0.070 0.000 2.533 290 R HA 0.411 4.751 4.340 0.001 0.000 0.288 290 R C -1.315 174.714 176.300 -0.453 0.000 1.039 290 R CA -0.685 55.228 56.100 -0.311 0.000 0.909 290 R CB 1.861 31.880 30.300 -0.468 0.000 1.195 290 R HN -0.088 nan 8.270 nan 0.000 0.438 291 L N 3.860 124.694 121.223 -0.649 0.000 2.272 291 L HA 0.518 4.858 4.340 0.001 0.000 0.289 291 L C -1.439 174.991 176.870 -0.734 0.000 1.032 291 L CA -0.016 54.286 54.840 -0.896 0.000 0.810 291 L CB 0.498 42.022 42.059 -0.893 0.000 1.205 291 L HN 0.424 nan 8.230 nan 0.000 0.422 292 F N 5.880 125.589 119.950 -0.401 0.000 2.421 292 F HA 0.595 5.123 4.527 0.001 0.000 0.337 292 F C 0.106 175.773 175.800 -0.221 0.000 1.105 292 F CA -0.376 57.447 58.000 -0.296 0.000 1.049 292 F CB 1.202 40.045 39.000 -0.261 0.000 1.139 292 F HN 0.252 nan 8.300 nan 0.000 0.479 293 I N 2.141 122.717 120.570 0.010 0.000 2.533 293 I HA 0.375 4.545 4.170 0.001 0.000 0.290 293 I C -0.498 175.629 176.117 0.017 0.000 1.056 293 I CA -0.755 60.596 61.300 0.085 0.000 1.057 293 I CB 2.399 40.530 38.000 0.219 0.000 1.240 293 I HN 0.576 nan 8.210 nan 0.000 0.423 294 T N 1.310 115.843 114.554 -0.035 0.000 2.925 294 T HA 0.873 5.224 4.350 0.001 0.000 0.285 294 T C -0.087 174.529 174.700 -0.141 0.000 1.021 294 T CA -0.949 61.028 62.100 -0.205 0.000 1.042 294 T CB 2.001 70.813 68.868 -0.094 0.000 1.037 294 T HN 0.981 nan 8.240 nan 0.000 0.481 295 G N -0.291 108.280 108.800 -0.380 0.000 2.378 295 G HA2 0.591 4.552 3.960 0.001 0.000 0.306 295 G HA3 0.591 4.552 3.960 0.001 0.000 0.306 295 G C 0.307 175.005 174.900 -0.337 0.000 1.413 295 G CA 0.153 45.108 45.100 -0.241 0.000 1.123 295 G HN 1.425 nan 8.290 nan 0.000 0.587 296 G N 3.583 112.187 108.800 -0.327 0.000 2.634 296 G HA2 -0.241 3.719 3.960 0.001 0.000 0.309 296 G HA3 -0.241 3.719 3.960 0.001 0.000 0.309 296 G C -0.899 173.929 174.900 -0.121 0.000 1.265 296 G CA 0.731 45.686 45.100 -0.242 0.000 0.998 296 G HN 0.811 nan 8.290 nan 0.000 0.551 297 P HA 0.216 nan 4.420 nan 0.000 0.234 297 P C 0.436 177.697 177.300 -0.065 0.000 1.167 297 P CA 1.022 64.113 63.100 -0.016 0.000 0.763 297 P CB -0.029 31.659 31.700 -0.020 0.000 0.835 298 C N -0.595 118.514 119.300 -0.319 0.000 2.470 298 C HA 0.573 5.033 4.460 0.001 0.000 0.341 298 C C -0.115 174.388 174.990 -0.813 0.000 1.190 298 C CA -0.952 57.690 59.018 -0.627 0.000 1.904 298 C CB 1.039 28.047 27.740 -1.221 0.000 2.354 298 C HN 0.084 nan 8.230 nan 0.000 0.509 299 L N 2.458 123.221 121.223 -0.767 0.000 2.372 299 L HA 0.485 4.825 4.340 0.001 0.000 0.273 299 L C -1.360 175.142 176.870 -0.614 0.000 0.989 299 L CA -0.019 54.324 54.840 -0.827 0.000 0.841 299 L CB 0.652 42.025 42.059 -1.143 0.000 1.225 299 L HN 0.746 nan 8.230 nan 0.000 0.414 300 W N 5.319 126.467 121.300 -0.253 0.000 2.576 300 W HA 0.550 5.210 4.660 0.001 0.000 0.360 300 W C -0.048 176.287 176.519 -0.306 0.000 1.109 300 W CA -0.794 56.415 57.345 -0.227 0.000 1.237 300 W CB 1.949 31.306 29.460 -0.172 0.000 1.369 300 W HN 0.298 nan 8.180 nan 0.000 0.609 301 M N 2.653 122.198 119.600 -0.092 0.000 2.421 301 M HA 0.383 4.864 4.480 0.001 0.000 0.287 301 M C -2.295 173.828 176.300 -0.295 0.000 1.183 301 M CA -0.840 54.231 55.300 -0.382 0.000 0.916 301 M CB 2.376 34.595 32.600 -0.634 0.000 1.701 301 M HN 0.358 nan 8.290 nan 0.000 0.470 302 L N 7.991 129.001 121.223 -0.353 0.000 2.318 302 L HA 0.646 4.987 4.340 0.001 0.000 0.277 302 L C -2.382 174.346 176.870 -0.237 0.000 1.008 302 L CA -1.200 53.503 54.840 -0.228 0.000 0.846 302 L CB 1.573 43.536 42.059 -0.161 0.000 1.220 302 L HN 0.366 nan 8.230 nan 0.000 0.423 303 P HA 0.214 nan 4.420 nan 0.000 0.287 303 P C -0.785 176.476 177.300 -0.064 0.000 1.307 303 P CA -0.233 62.788 63.100 -0.132 0.000 0.777 303 P CB 0.882 32.525 31.700 -0.094 0.000 0.883 304 L N 6.146 127.342 121.223 -0.045 0.000 2.399 304 L HA 0.431 4.772 4.340 0.001 0.000 0.266 304 L C -1.177 175.690 176.870 -0.004 0.000 1.114 304 L CA -1.974 52.868 54.840 0.002 0.000 0.804 304 L CB 0.312 42.391 42.059 0.033 0.000 1.146 304 L HN 0.269 nan 8.230 nan 0.000 0.451 305 P HA 0.000 nan 4.420 nan 0.000 0.216 305 P CA 0.000 63.102 63.100 0.003 0.000 0.800 305 P CB 0.000 31.706 31.700 0.010 0.000 0.726