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 1sio_1_C DATA FIRST_RESID 4 DATA SEQUENCE TAYTPLDVAQ AYQFPEGLDG QGQCIAIIEL GGGYDEASLA QYFASLGVPA DATA SEQUENCE PQVVSVSVDG ASNQPTGDPS GPDGEVELDI EVAGALAPGA KFAVYFAPNT DATA SEQUENCE DAGFLDAITT AIHDPTLKPS VVSISWGGPE DSWTSAAIAA MNRAFLDAAA DATA SEQUENCE LGVTVLAAAG DSGSTDGEQD GLYHVDFPAA SPYVLACGGT RLVASGGRIA DATA SEQUENCE QETVWNDGPD GGATGGGVSR IFPLPAWQEH ANVPPSANPG ASSGRGVPDL DATA SEQUENCE AGNADPATGY EVVIDGEATV IGGTSAVAPL FAALVARINQ KLGKAVGYLN DATA SEQUENCE PTLYQLPADV FHDITEGNND IANRAQIYQA GPGWDPCTGL GSPIGVRLLQ DATA SEQUENCE ALL 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 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.521 174.700 -0.298 0.000 1.109 4 T CA 0.000 61.948 62.100 -0.254 0.000 1.349 4 T CB 0.000 68.649 68.868 -0.364 0.000 0.612 5 A N -0.118 122.420 122.820 -0.471 0.000 2.590 5 A HA 0.730 5.050 4.320 -0.000 0.000 0.294 5 A C -2.304 174.928 177.584 -0.588 0.000 1.046 5 A CA -0.892 50.899 52.037 -0.410 0.000 0.684 5 A CB 0.601 19.465 19.000 -0.226 0.000 1.279 5 A HN 1.028 nan 8.150 nan 0.000 0.415 6 Y N -0.360 119.808 120.300 -0.220 0.000 2.638 6 Y HA 0.719 5.269 4.550 -0.000 0.000 0.339 6 Y C 1.007 176.836 175.900 -0.119 0.000 1.084 6 Y CA 0.091 58.072 58.100 -0.199 0.000 1.068 6 Y CB 2.121 40.403 38.460 -0.296 0.000 1.294 6 Y HN 0.931 nan 8.280 nan 0.000 0.480 7 T N -2.354 112.269 114.554 0.115 0.000 2.912 7 T HA 0.326 4.676 4.350 -0.000 0.000 0.280 7 T C -2.277 172.508 174.700 0.142 0.000 0.989 7 T CA -2.176 59.990 62.100 0.110 0.000 0.995 7 T CB 1.618 70.515 68.868 0.048 0.000 1.077 7 T HN 0.283 nan 8.240 nan 0.000 0.531 8 P HA -0.039 nan 4.420 nan 0.000 0.218 8 P C 1.551 178.831 177.300 -0.034 0.000 1.148 8 P CA 0.959 64.138 63.100 0.131 0.000 0.822 8 P CB -0.301 31.442 31.700 0.071 0.000 0.784 9 L N -0.960 120.249 121.223 -0.022 0.000 2.131 9 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 9 L C 1.937 178.735 176.870 -0.120 0.000 1.092 9 L CA 1.465 56.262 54.840 -0.072 0.000 0.759 9 L CB -1.288 40.755 42.059 -0.027 0.000 0.903 9 L HN -0.052 nan 8.230 nan 0.000 0.435 10 D N 0.277 120.621 120.400 -0.092 0.000 2.144 10 D HA -0.123 4.517 4.640 -0.000 0.000 0.199 10 D C 2.419 178.517 176.300 -0.337 0.000 0.984 10 D CA 1.206 55.123 54.000 -0.139 0.000 0.834 10 D CB -0.062 40.747 40.800 0.016 0.000 0.955 10 D HN 0.203 nan 8.370 nan 0.000 0.465 11 V N 1.488 121.160 119.914 -0.403 0.000 2.407 11 V HA -0.138 3.981 4.120 -0.000 0.000 0.245 11 V C 2.595 178.290 176.094 -0.666 0.000 1.041 11 V CA 1.432 63.340 62.300 -0.653 0.000 1.040 11 V CB -0.701 30.805 31.823 -0.527 0.000 0.671 11 V HN 0.142 nan 8.190 nan 0.000 0.455 12 A N -0.084 122.389 122.820 -0.577 0.000 1.917 12 A HA -0.361 3.959 4.320 -0.000 0.000 0.219 12 A C 2.282 179.686 177.584 -0.300 0.000 1.182 12 A CA 2.476 54.021 52.037 -0.820 0.000 0.633 12 A CB -0.638 17.847 19.000 -0.858 0.000 0.819 12 A HN 0.646 nan 8.150 nan 0.000 0.448 13 Q N -0.513 119.151 119.800 -0.225 0.000 2.084 13 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 13 Q C 2.105 178.048 176.000 -0.095 0.000 0.978 13 Q CA 1.733 57.478 55.803 -0.097 0.000 0.844 13 Q CB -0.388 28.296 28.738 -0.091 0.000 0.898 13 Q HN 0.567 nan 8.270 nan 0.000 0.426 14 A N -0.098 122.580 122.820 -0.236 0.000 2.019 14 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 14 A C 1.104 178.688 177.584 0.001 0.000 1.164 14 A CA 0.912 52.824 52.037 -0.208 0.000 0.644 14 A CB -0.502 18.249 19.000 -0.416 0.000 0.805 14 A HN 0.549 nan 8.150 nan 0.000 0.449 15 Y N 0.194 120.503 120.300 0.015 0.000 2.461 15 Y HA 0.160 4.710 4.550 -0.000 0.000 0.277 15 Y C 0.477 176.509 175.900 0.219 0.000 1.182 15 Y CA -0.215 57.974 58.100 0.149 0.000 1.276 15 Y CB -0.842 37.793 38.460 0.292 0.000 1.087 15 Y HN 0.539 nan 8.280 nan 0.000 0.519 16 Q N -0.688 119.284 119.800 0.287 0.000 2.453 16 Q HA -0.240 4.100 4.340 -0.000 0.000 0.330 16 Q C -0.914 175.269 176.000 0.304 0.000 1.417 16 Q CA 0.277 56.209 55.803 0.216 0.000 0.902 16 Q CB -2.199 26.618 28.738 0.131 0.000 1.154 16 Q HN 0.201 nan 8.270 nan 0.000 0.395 17 F N 2.355 122.360 119.950 0.093 0.000 2.538 17 F HA 0.124 4.651 4.527 -0.000 0.000 0.371 17 F C -1.210 174.621 175.800 0.052 0.000 1.087 17 F CA -1.955 56.098 58.000 0.088 0.000 1.250 17 F CB 0.134 39.198 39.000 0.107 0.000 1.110 17 F HN 0.114 nan 8.300 nan 0.000 0.570 18 P HA -0.033 nan 4.420 nan 0.000 0.261 18 P C -0.053 177.296 177.300 0.082 0.000 1.203 18 P CA 0.098 63.229 63.100 0.052 0.000 0.767 18 P CB 0.623 32.313 31.700 -0.017 0.000 0.785 19 E N 1.957 122.202 120.200 0.074 0.000 2.351 19 E HA 0.361 4.710 4.350 -0.000 0.000 0.255 19 E C 1.571 178.200 176.600 0.049 0.000 1.188 19 E CA 0.374 56.818 56.400 0.072 0.000 0.940 19 E CB 0.217 29.953 29.700 0.061 0.000 1.094 19 E HN 0.679 nan 8.360 nan 0.000 0.474 20 G N 0.296 109.124 108.800 0.047 0.000 2.179 20 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.260 20 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.260 20 G C -0.030 174.891 174.900 0.035 0.000 0.977 20 G CA 0.658 45.779 45.100 0.035 0.000 0.641 20 G HN 0.260 nan 8.290 nan 0.000 0.533 21 L N 0.779 122.029 121.223 0.046 0.000 2.346 21 L HA 0.651 4.991 4.340 -0.000 0.000 0.276 21 L C 0.214 177.126 176.870 0.069 0.000 1.006 21 L CA -0.471 54.395 54.840 0.042 0.000 0.817 21 L CB 1.850 43.924 42.059 0.025 0.000 1.272 21 L HN 0.175 nan 8.230 nan 0.000 0.421 22 D N 0.676 121.114 120.400 0.063 0.000 2.540 22 D HA 0.124 4.764 4.640 -0.000 0.000 0.229 22 D C 0.995 177.341 176.300 0.076 0.000 1.250 22 D CA 0.316 54.368 54.000 0.087 0.000 0.817 22 D CB 1.016 41.863 40.800 0.078 0.000 1.060 22 D HN 0.746 nan 8.370 nan 0.000 0.508 23 G N 1.568 110.394 108.800 0.043 0.000 2.160 23 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.251 23 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.251 23 G C 0.165 175.059 174.900 -0.011 0.000 1.008 23 G CA 0.518 45.625 45.100 0.011 0.000 0.724 23 G HN 0.703 nan 8.290 nan 0.000 0.514 24 Q N -0.426 119.377 119.800 0.005 0.000 2.315 24 Q HA 0.422 4.762 4.340 -0.000 0.000 0.289 24 Q C 1.559 177.550 176.000 -0.016 0.000 1.044 24 Q CA 1.799 57.601 55.803 -0.003 0.000 0.920 24 Q CB 0.501 29.243 28.738 0.007 0.000 1.214 24 Q HN 1.835 nan 8.270 nan 0.000 0.392 25 G N 2.102 110.888 108.800 -0.023 0.000 2.195 25 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.246 25 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.246 25 G C -0.213 174.664 174.900 -0.038 0.000 0.984 25 G CA 0.225 45.310 45.100 -0.024 0.000 0.633 25 G HN 0.639 nan 8.290 nan 0.000 0.525 26 Q N -0.431 119.334 119.800 -0.059 0.000 2.204 26 Q HA 0.656 4.996 4.340 -0.000 0.000 0.254 26 Q C -0.158 175.763 176.000 -0.132 0.000 0.981 26 Q CA -0.350 55.403 55.803 -0.083 0.000 0.897 26 Q CB 2.041 30.727 28.738 -0.087 0.000 1.273 26 Q HN 0.644 nan 8.270 nan 0.000 0.464 27 C N 2.118 121.340 119.300 -0.130 0.000 2.431 27 C HA 0.679 5.139 4.460 -0.000 0.000 0.321 27 C C -0.835 174.055 174.990 -0.168 0.000 1.202 27 C CA -0.535 58.387 59.018 -0.161 0.000 1.398 27 C CB -0.247 27.452 27.740 -0.068 0.000 2.047 27 C HN 0.766 nan 8.230 nan 0.000 0.465 28 I N 5.771 126.159 120.570 -0.304 0.000 2.339 28 I HA 0.516 4.686 4.170 -0.000 0.000 0.290 28 I C 0.729 176.839 176.117 -0.011 0.000 0.994 28 I CA -0.021 61.161 61.300 -0.197 0.000 1.191 28 I CB 1.585 39.388 38.000 -0.329 0.000 1.343 28 I HN 0.853 nan 8.210 nan 0.000 0.458 29 A N 8.046 130.922 122.820 0.093 0.000 2.327 29 A HA 0.810 5.130 4.320 -0.000 0.000 0.283 29 A C -0.413 177.295 177.584 0.207 0.000 1.127 29 A CA -0.274 51.898 52.037 0.226 0.000 0.810 29 A CB 0.386 19.492 19.000 0.177 0.000 1.066 29 A HN 0.688 nan 8.150 nan 0.000 0.492 30 I N 3.317 124.041 120.570 0.256 0.000 2.499 30 I HA 0.266 4.436 4.170 -0.000 0.000 0.288 30 I C -0.876 175.337 176.117 0.159 0.000 1.048 30 I CA -0.617 60.793 61.300 0.184 0.000 1.062 30 I CB 1.724 39.818 38.000 0.158 0.000 1.238 30 I HN 0.386 nan 8.210 nan 0.000 0.426 31 I N 5.422 126.077 120.570 0.142 0.000 2.365 31 I HA 0.380 4.549 4.170 -0.000 0.000 0.291 31 I C 0.143 176.249 176.117 -0.018 0.000 1.004 31 I CA -0.277 61.071 61.300 0.081 0.000 1.311 31 I CB 0.873 38.973 38.000 0.166 0.000 1.401 31 I HN 0.530 nan 8.210 nan 0.000 0.491 32 E N 6.535 126.609 120.200 -0.210 0.000 2.272 32 E HA 0.428 4.778 4.350 -0.000 0.000 0.269 32 E C -0.199 176.109 176.600 -0.487 0.000 0.877 32 E CA -0.535 55.699 56.400 -0.277 0.000 0.755 32 E CB 2.807 32.334 29.700 -0.288 0.000 1.192 32 E HN 0.459 nan 8.360 nan 0.000 0.422 33 L N 0.526 121.153 121.223 -0.994 0.000 3.014 33 L HA 0.505 4.845 4.340 -0.000 0.000 0.263 33 L C 0.674 177.230 176.870 -0.523 0.000 1.207 33 L CA -0.293 53.978 54.840 -0.948 0.000 1.017 33 L CB 0.702 41.864 42.059 -1.496 0.000 1.360 33 L HN 0.547 nan 8.230 nan 0.000 0.560 34 G N -1.681 107.070 108.800 -0.081 0.000 2.451 34 G HA2 0.462 4.422 3.960 -0.000 0.000 0.292 34 G HA3 0.462 4.422 3.960 -0.000 0.000 0.292 34 G C -0.080 174.996 174.900 0.293 0.000 1.427 34 G CA -0.013 45.180 45.100 0.156 0.000 0.792 34 G HN 0.175 nan 8.290 nan 0.000 0.498 35 G N -0.812 108.101 108.800 0.189 0.000 2.602 35 G HA2 0.439 4.399 3.960 -0.000 0.000 0.306 35 G HA3 0.439 4.399 3.960 -0.000 0.000 0.306 35 G C 0.927 175.890 174.900 0.104 0.000 1.301 35 G CA 1.530 46.714 45.100 0.141 0.000 0.974 35 G HN 2.643 nan 8.290 nan 0.000 0.547 36 G N -2.927 105.955 108.800 0.136 0.000 2.427 36 G HA2 0.751 4.711 3.960 -0.000 0.000 0.306 36 G HA3 0.751 4.711 3.960 -0.000 0.000 0.306 36 G C -1.159 173.853 174.900 0.187 0.000 1.280 36 G CA 0.209 45.350 45.100 0.067 0.000 0.837 36 G HN 2.066 nan 8.290 nan 0.000 0.482 37 Y N 0.323 120.698 120.300 0.125 0.000 2.446 37 Y HA 0.721 5.271 4.550 -0.000 0.000 0.345 37 Y C -0.341 175.588 175.900 0.047 0.000 0.984 37 Y CA -1.578 56.582 58.100 0.100 0.000 1.058 37 Y CB 1.621 40.162 38.460 0.136 0.000 1.220 37 Y HN 0.595 nan 8.280 nan 0.000 0.455 38 D N 2.356 122.862 120.400 0.177 0.000 2.193 38 D HA 0.101 4.741 4.640 -0.000 0.000 0.249 38 D C 0.058 176.481 176.300 0.205 0.000 1.034 38 D CA -0.467 53.600 54.000 0.112 0.000 0.902 38 D CB 1.882 42.721 40.800 0.065 0.000 1.182 38 D HN 0.721 nan 8.370 nan 0.000 0.436 39 E N 1.138 121.439 120.200 0.168 0.000 2.208 39 E HA -0.078 4.272 4.350 -0.000 0.000 0.193 39 E C 1.876 178.558 176.600 0.137 0.000 0.988 39 E CA 0.733 57.243 56.400 0.184 0.000 0.828 39 E CB -0.211 29.572 29.700 0.138 0.000 0.763 39 E HN 0.681 nan 8.360 nan 0.000 0.478 40 A N 1.317 124.199 122.820 0.103 0.000 1.883 40 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 40 A C 2.508 180.147 177.584 0.091 0.000 1.186 40 A CA 1.895 53.981 52.037 0.082 0.000 0.624 40 A CB -0.519 18.516 19.000 0.059 0.000 0.822 40 A HN 0.184 nan 8.150 nan 0.000 0.444 41 S N 0.166 115.923 115.700 0.095 0.000 2.356 41 S HA -0.121 4.348 4.470 -0.000 0.000 0.223 41 S C 1.823 176.486 174.600 0.105 0.000 1.032 41 S CA 1.649 59.898 58.200 0.083 0.000 1.005 41 S CB -0.564 62.677 63.200 0.068 0.000 0.867 41 S HN 0.559 nan 8.310 nan 0.000 0.449 42 L N 1.172 122.482 121.223 0.144 0.000 2.093 42 L HA 0.015 4.355 4.340 -0.000 0.000 0.208 42 L C 2.778 179.839 176.870 0.318 0.000 1.085 42 L CA 1.053 56.028 54.840 0.224 0.000 0.755 42 L CB -1.009 41.207 42.059 0.261 0.000 0.904 42 L HN 0.274 nan 8.230 nan 0.000 0.435 43 A N 0.155 123.107 122.820 0.221 0.000 1.902 43 A HA -0.283 4.036 4.320 -0.000 0.000 0.217 43 A C 2.368 180.040 177.584 0.147 0.000 1.181 43 A CA 1.926 54.079 52.037 0.193 0.000 0.623 43 A CB -0.660 18.411 19.000 0.118 0.000 0.818 43 A HN 0.506 nan 8.150 nan 0.000 0.443 44 Q N -1.827 118.036 119.800 0.105 0.000 2.077 44 Q HA -0.273 4.066 4.340 -0.000 0.000 0.206 44 Q C 1.979 177.992 176.000 0.021 0.000 0.989 44 Q CA 2.365 58.203 55.803 0.058 0.000 0.853 44 Q CB -0.367 28.403 28.738 0.054 0.000 0.907 44 Q HN 0.793 nan 8.270 nan 0.000 0.418 45 Y N -0.104 120.138 120.300 -0.097 0.000 2.114 45 Y HA -0.243 4.307 4.550 -0.000 0.000 0.284 45 Y C 1.665 177.388 175.900 -0.295 0.000 1.143 45 Y CA 1.991 59.938 58.100 -0.255 0.000 1.135 45 Y CB -0.552 37.645 38.460 -0.438 0.000 0.980 45 Y HN 0.128 nan 8.280 nan 0.000 0.499 46 F N 0.099 120.003 119.950 -0.076 0.000 2.293 46 F HA -0.080 4.447 4.527 -0.000 0.000 0.300 46 F C 2.554 178.248 175.800 -0.177 0.000 1.086 46 F CA 1.028 58.925 58.000 -0.172 0.000 1.375 46 F CB -1.018 37.972 39.000 -0.016 0.000 1.045 46 F HN 0.178 nan 8.300 nan 0.000 0.516 47 A N -0.028 122.801 122.820 0.014 0.000 1.933 47 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 47 A C 2.347 179.878 177.584 -0.087 0.000 1.175 47 A CA 1.903 53.932 52.037 -0.013 0.000 0.628 47 A CB -1.155 17.848 19.000 0.005 0.000 0.814 47 A HN 0.394 nan 8.150 nan 0.000 0.444 48 S N -0.484 115.108 115.700 -0.181 0.000 2.474 48 S HA 0.039 4.509 4.470 -0.000 0.000 0.235 48 S C 1.310 175.790 174.600 -0.202 0.000 0.997 48 S CA 1.178 59.262 58.200 -0.193 0.000 0.949 48 S CB -0.440 62.615 63.200 -0.242 0.000 0.766 48 S HN 0.443 nan 8.310 nan 0.000 0.517 49 L N 0.804 121.885 121.223 -0.237 0.000 2.667 49 L HA 0.396 4.736 4.340 -0.000 0.000 0.232 49 L C 1.646 178.475 176.870 -0.068 0.000 1.138 49 L CA 0.169 54.911 54.840 -0.163 0.000 0.921 49 L CB -0.383 41.551 42.059 -0.208 0.000 1.180 49 L HN 0.516 nan 8.230 nan 0.000 0.487 50 G N 1.076 109.845 108.800 -0.053 0.000 2.168 50 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.257 50 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.257 50 G C 0.144 175.048 174.900 0.007 0.000 0.997 50 G CA 0.438 45.527 45.100 -0.018 0.000 0.708 50 G HN 0.250 nan 8.290 nan 0.000 0.520 51 V N -3.277 116.655 119.914 0.030 0.000 3.001 51 V HA 0.839 4.959 4.120 -0.000 0.000 0.314 51 V C -2.284 173.850 176.094 0.068 0.000 1.099 51 V CA -2.955 59.377 62.300 0.054 0.000 0.989 51 V CB 1.955 33.828 31.823 0.082 0.000 1.040 51 V HN 0.025 nan 8.190 nan 0.000 0.434 52 P HA 0.350 nan 4.420 nan 0.000 0.271 52 P C -0.244 176.970 177.300 -0.143 0.000 1.216 52 P CA 0.126 63.213 63.100 -0.022 0.000 0.771 52 P CB 0.520 32.202 31.700 -0.029 0.000 0.864 53 A N 5.788 128.490 122.820 -0.197 0.000 2.522 53 A HA 0.278 4.598 4.320 -0.000 0.000 0.256 53 A C -1.505 175.784 177.584 -0.491 0.000 1.086 53 A CA -0.724 50.962 52.037 -0.585 0.000 0.763 53 A CB -1.247 17.599 19.000 -0.256 0.000 1.024 53 A HN 0.442 nan 8.150 nan 0.000 0.502 54 P HA -0.006 nan 4.420 nan 0.000 0.272 54 P C -0.284 176.935 177.300 -0.135 0.000 1.248 54 P CA -0.248 62.704 63.100 -0.246 0.000 0.799 54 P CB 0.350 31.972 31.700 -0.130 0.000 0.997 55 Q N 0.101 119.904 119.800 0.005 0.000 2.304 55 Q HA 0.345 4.685 4.340 -0.000 0.000 0.260 55 Q C -1.277 174.778 176.000 0.090 0.000 0.965 55 Q CA -0.298 55.524 55.803 0.032 0.000 0.898 55 Q CB 0.347 29.110 28.738 0.042 0.000 1.196 55 Q HN 0.166 nan 8.270 nan 0.000 0.402 56 V N 5.078 125.025 119.914 0.055 0.000 2.577 56 V HA 0.429 4.549 4.120 -0.000 0.000 0.303 56 V C -0.672 175.498 176.094 0.126 0.000 1.042 56 V CA -0.816 61.524 62.300 0.067 0.000 0.872 56 V CB 1.799 33.548 31.823 -0.122 0.000 0.998 56 V HN 0.644 nan 8.190 nan 0.000 0.423 57 V N 2.008 122.006 119.914 0.140 0.000 2.555 57 V HA 0.654 4.773 4.120 -0.000 0.000 0.302 57 V C 0.111 176.306 176.094 0.168 0.000 1.038 57 V CA -0.555 61.824 62.300 0.131 0.000 0.887 57 V CB 1.827 33.680 31.823 0.050 0.000 0.991 57 V HN 0.786 nan 8.190 nan 0.000 0.434 58 S N 2.490 118.309 115.700 0.198 0.000 2.508 58 S HA 0.724 5.194 4.470 -0.000 0.000 0.284 58 S C -0.345 174.292 174.600 0.061 0.000 1.192 58 S CA -0.539 57.808 58.200 0.245 0.000 1.070 58 S CB 1.646 64.990 63.200 0.240 0.000 1.004 58 S HN 0.574 nan 8.310 nan 0.000 0.493 59 V N 2.493 122.395 119.914 -0.019 0.000 2.487 59 V HA 0.465 4.585 4.120 -0.000 0.000 0.298 59 V C 0.131 176.276 176.094 0.085 0.000 1.028 59 V CA -0.741 61.498 62.300 -0.102 0.000 0.860 59 V CB 1.910 33.442 31.823 -0.485 0.000 0.991 59 V HN 0.845 nan 8.190 nan 0.000 0.427 60 S N 4.137 119.893 115.700 0.094 0.000 2.489 60 S HA 0.629 5.099 4.470 -0.000 0.000 0.277 60 S C -0.632 174.049 174.600 0.135 0.000 1.230 60 S CA -0.343 57.929 58.200 0.120 0.000 1.053 60 S CB 0.838 64.074 63.200 0.060 0.000 0.955 60 S HN 0.521 nan 8.310 nan 0.000 0.488 61 V N 5.120 125.125 119.914 0.152 0.000 2.531 61 V HA 0.359 4.479 4.120 -0.000 0.000 0.301 61 V C -0.706 175.445 176.094 0.096 0.000 1.034 61 V CA -0.756 61.628 62.300 0.140 0.000 0.865 61 V CB 1.607 33.534 31.823 0.173 0.000 0.995 61 V HN 1.012 nan 8.190 nan 0.000 0.424 62 D N 4.121 124.566 120.400 0.075 0.000 2.686 62 D HA -0.183 4.457 4.640 -0.000 0.000 0.235 62 D C 1.311 177.636 176.300 0.043 0.000 1.160 62 D CA 1.762 55.794 54.000 0.053 0.000 0.645 62 D CB -1.103 39.727 40.800 0.051 0.000 1.039 62 D HN 1.471 nan 8.370 nan 0.000 0.423 63 G N -1.800 107.024 108.800 0.040 0.000 2.155 63 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.257 63 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.257 63 G C 0.485 175.398 174.900 0.020 0.000 0.983 63 G CA 0.800 45.915 45.100 0.025 0.000 0.676 63 G HN 1.177 nan 8.290 nan 0.000 0.528 64 A N -0.708 122.136 122.820 0.040 0.000 2.269 64 A HA 1.004 5.324 4.320 -0.000 0.000 0.327 64 A C 0.538 178.136 177.584 0.023 0.000 1.112 64 A CA 0.742 52.798 52.037 0.032 0.000 0.865 64 A CB 1.433 20.469 19.000 0.060 0.000 1.227 64 A HN 1.942 nan 8.150 nan 0.000 0.498 65 S N -0.374 115.286 115.700 -0.066 0.000 2.752 65 S HA 0.442 4.911 4.470 -0.000 0.000 0.284 65 S C -0.794 173.423 174.600 -0.638 0.000 1.189 65 S CA -0.869 57.214 58.200 -0.196 0.000 0.835 65 S CB 0.732 63.836 63.200 -0.161 0.000 1.192 65 S HN 0.736 nan 8.310 nan 0.000 0.506 66 N N 1.531 119.695 118.700 -0.894 0.000 2.421 66 N HA 0.172 4.912 4.740 -0.000 0.000 0.260 66 N C -1.036 174.057 175.510 -0.695 0.000 1.173 66 N CA 0.161 52.403 53.050 -1.348 0.000 0.960 66 N CB -0.468 37.391 38.487 -1.046 0.000 1.273 66 N HN 0.558 nan 8.380 nan 0.000 0.497 67 Q N 4.131 123.602 119.800 -0.549 0.000 2.798 67 Q HA 0.293 4.633 4.340 -0.000 0.000 0.250 67 Q C -2.422 173.475 176.000 -0.171 0.000 1.006 67 Q CA -1.714 53.921 55.803 -0.279 0.000 0.759 67 Q CB 1.802 30.427 28.738 -0.189 0.000 1.201 67 Q HN 0.535 nan 8.270 nan 0.000 0.486 68 P HA -0.031 nan 4.420 nan 0.000 0.271 68 P C 0.825 178.106 177.300 -0.032 0.000 1.226 68 P CA 0.194 63.261 63.100 -0.056 0.000 0.765 68 P CB 1.194 32.867 31.700 -0.045 0.000 0.835 69 T N -0.625 113.927 114.554 -0.002 0.000 3.088 69 T HA 0.141 4.491 4.350 -0.000 0.000 0.259 69 T C 1.422 176.124 174.700 0.003 0.000 1.122 69 T CA 0.870 62.970 62.100 -0.000 0.000 1.095 69 T CB -0.857 68.019 68.868 0.015 0.000 0.930 69 T HN 0.615 nan 8.240 nan 0.000 0.508 70 G N 1.162 109.968 108.800 0.009 0.000 2.176 70 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.253 70 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.253 70 G C -0.231 174.677 174.900 0.014 0.000 0.979 70 G CA 0.105 45.212 45.100 0.011 0.000 0.641 70 G HN 0.742 nan 8.290 nan 0.000 0.530 71 D N 0.789 121.199 120.400 0.017 0.000 2.359 71 D HA 0.443 5.083 4.640 -0.000 0.000 0.230 71 D C -0.419 175.891 176.300 0.018 0.000 1.118 71 D CA -2.036 51.974 54.000 0.016 0.000 0.844 71 D CB 1.629 42.439 40.800 0.018 0.000 1.059 71 D HN 0.139 nan 8.370 nan 0.000 0.493 72 P HA -0.047 nan 4.420 nan 0.000 0.228 72 P C 0.638 177.940 177.300 0.003 0.000 1.151 72 P CA 0.380 63.485 63.100 0.008 0.000 0.770 72 P CB 0.481 32.182 31.700 0.002 0.000 0.786 73 S N -0.960 114.744 115.700 0.006 0.000 2.556 73 S HA 0.246 4.715 4.470 -0.000 0.000 0.216 73 S C 1.287 175.891 174.600 0.007 0.000 0.970 73 S CA 0.036 58.238 58.200 0.003 0.000 0.912 73 S CB 0.078 63.281 63.200 0.005 0.000 0.790 73 S HN 0.277 nan 8.310 nan 0.000 0.504 74 G N 2.062 110.873 108.800 0.019 0.000 2.583 74 G HA2 0.369 4.329 3.960 -0.000 0.000 0.280 74 G HA3 0.369 4.329 3.960 -0.000 0.000 0.280 74 G C -1.851 173.076 174.900 0.045 0.000 1.376 74 G CA -1.111 44.011 45.100 0.037 0.000 1.043 74 G HN 0.010 nan 8.290 nan 0.000 0.538 75 P HA -0.069 nan 4.420 nan 0.000 0.223 75 P C 0.586 177.982 177.300 0.161 0.000 1.144 75 P CA 0.978 64.181 63.100 0.172 0.000 0.783 75 P CB 0.183 32.085 31.700 0.336 0.000 0.771 76 D N 0.157 120.629 120.400 0.119 0.000 2.182 76 D HA -0.112 4.527 4.640 -0.000 0.000 0.201 76 D C 2.351 178.698 176.300 0.078 0.000 0.986 76 D CA 1.616 55.686 54.000 0.117 0.000 0.847 76 D CB -1.140 39.708 40.800 0.080 0.000 0.942 76 D HN 0.188 nan 8.370 nan 0.000 0.467 77 G N 0.739 109.558 108.800 0.031 0.000 2.476 77 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.218 77 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.218 77 G C 1.648 176.526 174.900 -0.037 0.000 1.164 77 G CA 1.143 46.233 45.100 -0.016 0.000 0.768 77 G HN 0.279 nan 8.290 nan 0.000 0.560 78 E N 0.117 120.291 120.200 -0.043 0.000 2.047 78 E HA -0.072 4.278 4.350 -0.000 0.000 0.191 78 E C 2.682 179.297 176.600 0.025 0.000 0.987 78 E CA 1.055 57.406 56.400 -0.082 0.000 0.799 78 E CB -0.441 29.116 29.700 -0.238 0.000 0.752 78 E HN 0.196 nan 8.360 nan 0.000 0.449 79 V N 1.264 121.262 119.914 0.140 0.000 2.231 79 V HA -0.306 3.813 4.120 -0.000 0.000 0.248 79 V C 2.213 178.365 176.094 0.097 0.000 1.054 79 V CA 2.499 64.917 62.300 0.197 0.000 1.015 79 V CB -0.691 31.350 31.823 0.363 0.000 0.638 79 V HN 0.352 nan 8.190 nan 0.000 0.444 80 E N -0.067 120.176 120.200 0.072 0.000 2.110 80 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 80 E C 2.137 178.647 176.600 -0.151 0.000 0.988 80 E CA 1.369 57.753 56.400 -0.027 0.000 0.804 80 E CB -0.269 29.426 29.700 -0.008 0.000 0.745 80 E HN 0.519 nan 8.360 nan 0.000 0.458 81 L N 1.575 122.716 121.223 -0.138 0.000 2.083 81 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 81 L C 1.460 178.198 176.870 -0.219 0.000 1.083 81 L CA 1.834 56.547 54.840 -0.212 0.000 0.752 81 L CB -0.157 41.797 42.059 -0.175 0.000 0.899 81 L HN -0.088 nan 8.230 nan 0.000 0.433 82 D N 0.070 120.390 120.400 -0.134 0.000 2.117 82 D HA -0.165 4.474 4.640 -0.000 0.000 0.198 82 D C 2.301 178.520 176.300 -0.135 0.000 0.982 82 D CA 2.017 55.955 54.000 -0.104 0.000 0.828 82 D CB -0.192 40.601 40.800 -0.012 0.000 0.967 82 D HN 0.473 nan 8.370 nan 0.000 0.464 83 I N 1.172 121.644 120.570 -0.163 0.000 2.202 83 I HA -0.216 3.954 4.170 -0.000 0.000 0.242 83 I C 2.282 178.225 176.117 -0.290 0.000 1.091 83 I CA 1.143 62.285 61.300 -0.263 0.000 1.368 83 I CB -0.203 37.632 38.000 -0.275 0.000 1.058 83 I HN -0.053 nan 8.210 nan 0.000 0.410 84 E N 0.275 120.255 120.200 -0.367 0.000 2.072 84 E HA -0.160 4.189 4.350 -0.000 0.000 0.191 84 E C 2.357 178.703 176.600 -0.424 0.000 0.985 84 E CA 1.271 57.289 56.400 -0.635 0.000 0.801 84 E CB -0.091 28.824 29.700 -1.309 0.000 0.750 84 E HN 0.277 nan 8.360 nan 0.000 0.452 85 V N 1.420 121.120 119.914 -0.357 0.000 2.295 85 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 85 V C 2.311 178.353 176.094 -0.085 0.000 1.049 85 V CA 1.961 64.114 62.300 -0.246 0.000 1.024 85 V CB -0.655 30.936 31.823 -0.387 0.000 0.648 85 V HN 0.322 nan 8.190 nan 0.000 0.447 86 A N 0.366 123.154 122.820 -0.053 0.000 1.929 86 A HA -0.007 4.313 4.320 -0.000 0.000 0.216 86 A C 2.397 180.082 177.584 0.168 0.000 1.176 86 A CA 1.647 53.763 52.037 0.132 0.000 0.628 86 A CB -1.153 18.015 19.000 0.279 0.000 0.816 86 A HN 0.526 nan 8.150 nan 0.000 0.444 87 G N -0.447 108.253 108.800 -0.167 0.000 2.432 87 G HA2 0.017 3.977 3.960 -0.000 0.000 0.219 87 G HA3 0.017 3.977 3.960 -0.000 0.000 0.219 87 G C 1.601 176.697 174.900 0.328 0.000 1.135 87 G CA 1.268 46.283 45.100 -0.143 0.000 0.767 87 G HN 0.773 nan 8.290 nan 0.000 0.550 88 A N -0.243 122.781 122.820 0.341 0.000 2.014 88 A HA 0.268 4.588 4.320 -0.000 0.000 0.218 88 A C 2.093 179.814 177.584 0.228 0.000 1.163 88 A CA 0.992 53.231 52.037 0.337 0.000 0.652 88 A CB -0.084 19.073 19.000 0.261 0.000 0.808 88 A HN 0.297 nan 8.150 nan 0.000 0.449 89 L N -2.131 119.227 121.223 0.225 0.000 2.515 89 L HA 0.376 4.716 4.340 -0.000 0.000 0.223 89 L C 1.308 178.350 176.870 0.287 0.000 1.079 89 L CA 1.040 56.026 54.840 0.243 0.000 0.857 89 L CB -0.006 42.221 42.059 0.282 0.000 1.050 89 L HN 0.299 nan 8.230 nan 0.000 0.476 90 A N -0.329 122.686 122.820 0.325 0.000 3.297 90 A HA 0.539 4.859 4.320 -0.000 0.000 0.304 90 A C -1.877 175.913 177.584 0.342 0.000 0.963 90 A CA -0.599 51.619 52.037 0.301 0.000 0.935 90 A CB 0.018 19.183 19.000 0.276 0.000 1.093 90 A HN 0.004 nan 8.150 nan 0.000 0.480 91 P HA -0.016 nan 4.420 nan 0.000 0.233 91 P C 1.386 178.764 177.300 0.130 0.000 1.167 91 P CA 1.467 64.673 63.100 0.176 0.000 0.770 91 P CB 0.161 31.924 31.700 0.104 0.000 0.837 92 G N -0.294 108.571 108.800 0.107 0.000 2.712 92 G HA2 0.207 4.167 3.960 -0.000 0.000 0.212 92 G HA3 0.207 4.167 3.960 -0.000 0.000 0.212 92 G C 0.707 175.627 174.900 0.033 0.000 1.142 92 G CA 0.291 45.425 45.100 0.056 0.000 0.789 92 G HN 0.441 nan 8.290 nan 0.000 0.535 93 A N 0.084 122.923 122.820 0.032 0.000 2.351 93 A HA 0.565 4.885 4.320 -0.000 0.000 0.257 93 A C 0.389 177.878 177.584 -0.158 0.000 1.087 93 A CA -0.433 51.526 52.037 -0.129 0.000 0.798 93 A CB 0.582 19.399 19.000 -0.304 0.000 1.033 93 A HN 0.214 nan 8.150 nan 0.000 0.488 94 K N 1.137 121.406 120.400 -0.219 0.000 2.172 94 K HA 0.500 4.820 4.320 -0.000 0.000 0.276 94 K C -1.792 174.641 176.600 -0.278 0.000 1.013 94 K CA -0.209 56.013 56.287 -0.108 0.000 0.913 94 K CB 0.412 32.885 32.500 -0.045 0.000 1.055 94 K HN 0.465 nan 8.250 nan 0.000 0.461 95 F N 1.883 121.830 119.950 -0.005 0.000 2.444 95 F HA 0.428 4.954 4.527 -0.000 0.000 0.342 95 F C 0.177 175.980 175.800 0.005 0.000 1.121 95 F CA -0.746 57.257 58.000 0.006 0.000 0.997 95 F CB 2.032 41.021 39.000 -0.019 0.000 1.130 95 F HN 0.523 nan 8.300 nan 0.000 0.454 96 A N 3.466 126.372 122.820 0.144 0.000 2.258 96 A HA 0.737 5.056 4.320 -0.000 0.000 0.316 96 A C -1.137 176.467 177.584 0.032 0.000 1.279 96 A CA -0.612 51.448 52.037 0.037 0.000 0.876 96 A CB 0.531 19.568 19.000 0.061 0.000 1.170 96 A HN 0.536 nan 8.150 nan 0.000 0.520 97 V N 3.919 123.792 119.914 -0.068 0.000 2.313 97 V HA 0.247 4.367 4.120 -0.000 0.000 0.278 97 V C -1.149 174.772 176.094 -0.289 0.000 1.017 97 V CA -0.431 61.815 62.300 -0.090 0.000 0.823 97 V CB 0.195 32.021 31.823 0.006 0.000 1.010 97 V HN 0.730 nan 8.190 nan 0.000 0.443 98 Y N 4.620 124.815 120.300 -0.176 0.000 2.350 98 Y HA 0.555 5.104 4.550 -0.000 0.000 0.340 98 Y C -0.097 175.663 175.900 -0.234 0.000 1.006 98 Y CA -0.530 57.516 58.100 -0.090 0.000 1.166 98 Y CB 0.731 39.185 38.460 -0.010 0.000 1.168 98 Y HN 0.503 nan 8.280 nan 0.000 0.502 99 F N 2.374 122.396 119.950 0.121 0.000 2.427 99 F HA 0.750 5.277 4.527 -0.000 0.000 0.346 99 F C 0.239 176.053 175.800 0.024 0.000 1.120 99 F CA -0.614 57.413 58.000 0.045 0.000 1.033 99 F CB 1.385 40.393 39.000 0.012 0.000 1.126 99 F HN 0.530 nan 8.300 nan 0.000 0.462 100 A N 4.039 126.926 122.820 0.111 0.000 2.566 100 A HA 0.871 5.191 4.320 -0.000 0.000 0.292 100 A C -2.959 174.615 177.584 -0.017 0.000 1.112 100 A CA -2.052 50.018 52.037 0.056 0.000 0.707 100 A CB 1.441 20.471 19.000 0.050 0.000 1.302 100 A HN 0.396 nan 8.150 nan 0.000 0.409 101 P HA 0.071 nan 4.420 nan 0.000 0.267 101 P C -0.573 176.675 177.300 -0.087 0.000 1.200 101 P CA -0.057 63.024 63.100 -0.031 0.000 0.772 101 P CB 0.348 32.047 31.700 -0.002 0.000 0.855 102 N N 1.949 120.579 118.700 -0.116 0.000 2.968 102 N HA 0.101 4.841 4.740 -0.000 0.000 0.271 102 N C -0.733 174.736 175.510 -0.068 0.000 1.174 102 N CA 0.077 53.028 53.050 -0.165 0.000 1.096 102 N CB -0.736 37.646 38.487 -0.175 0.000 1.403 102 N HN 0.420 nan 8.380 nan 0.000 0.522 103 T N -2.002 112.540 114.554 -0.019 0.000 2.841 103 T HA 0.333 4.682 4.350 -0.000 0.000 0.296 103 T C 0.650 175.405 174.700 0.092 0.000 1.166 103 T CA -0.720 61.390 62.100 0.018 0.000 1.007 103 T CB 1.141 70.022 68.868 0.021 0.000 1.253 103 T HN -0.115 nan 8.240 nan 0.000 0.511 104 D N 0.761 121.211 120.400 0.084 0.000 2.104 104 D HA -0.061 4.579 4.640 -0.000 0.000 0.194 104 D C 2.337 178.756 176.300 0.199 0.000 0.994 104 D CA 2.030 56.135 54.000 0.175 0.000 0.830 104 D CB -0.718 40.169 40.800 0.144 0.000 0.959 104 D HN 0.748 nan 8.370 nan 0.000 0.452 105 A N 0.614 123.509 122.820 0.125 0.000 1.898 105 A HA -0.005 4.315 4.320 -0.000 0.000 0.216 105 A C 2.380 180.034 177.584 0.116 0.000 1.181 105 A CA 2.108 54.206 52.037 0.103 0.000 0.620 105 A CB -1.054 17.986 19.000 0.067 0.000 0.819 105 A HN 0.309 nan 8.150 nan 0.000 0.442 106 G N -1.293 107.574 108.800 0.110 0.000 2.418 106 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.217 106 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.217 106 G C 1.440 176.445 174.900 0.176 0.000 1.158 106 G CA 1.100 46.260 45.100 0.101 0.000 0.771 106 G HN 0.372 nan 8.290 nan 0.000 0.545 107 F N 1.135 121.105 119.950 0.033 0.000 2.134 107 F HA 0.012 4.539 4.527 -0.000 0.000 0.299 107 F C 2.353 178.198 175.800 0.075 0.000 1.097 107 F CA 0.809 58.848 58.000 0.065 0.000 1.264 107 F CB -0.762 38.341 39.000 0.172 0.000 1.001 107 F HN 0.130 nan 8.300 nan 0.000 0.479 108 L N 0.660 122.013 121.223 0.216 0.000 2.017 108 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 108 L C 2.053 178.941 176.870 0.031 0.000 1.073 108 L CA 2.137 56.999 54.840 0.036 0.000 0.745 108 L CB -1.189 40.889 42.059 0.031 0.000 0.894 108 L HN -0.031 nan 8.230 nan 0.000 0.432 109 D N 0.043 120.487 120.400 0.073 0.000 2.104 109 D HA -0.189 4.451 4.640 -0.000 0.000 0.194 109 D C 2.221 178.556 176.300 0.058 0.000 0.994 109 D CA 1.673 55.709 54.000 0.060 0.000 0.830 109 D CB -0.363 40.480 40.800 0.072 0.000 0.959 109 D HN 0.512 nan 8.370 nan 0.000 0.452 110 A N 0.644 123.520 122.820 0.094 0.000 1.883 110 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 110 A C 2.411 179.966 177.584 -0.049 0.000 1.186 110 A CA 1.172 53.251 52.037 0.070 0.000 0.624 110 A CB -0.802 18.272 19.000 0.123 0.000 0.822 110 A HN 0.218 nan 8.150 nan 0.000 0.444 111 I N 0.111 120.686 120.570 0.009 0.000 2.226 111 I HA -0.232 3.937 4.170 -0.000 0.000 0.245 111 I C 2.870 178.911 176.117 -0.127 0.000 1.100 111 I CA 1.865 63.129 61.300 -0.060 0.000 1.374 111 I CB -0.437 37.522 38.000 -0.067 0.000 1.057 111 I HN 0.565 nan 8.210 nan 0.000 0.413 112 T N -2.930 111.578 114.554 -0.076 0.000 2.857 112 T HA -0.110 4.240 4.350 -0.000 0.000 0.266 112 T C 1.846 176.568 174.700 0.037 0.000 1.048 112 T CA 1.568 63.666 62.100 -0.004 0.000 1.139 112 T CB -0.788 68.114 68.868 0.056 0.000 0.874 112 T HN 0.191 nan 8.240 nan 0.000 0.455 113 T N 2.339 116.885 114.554 -0.014 0.000 2.684 113 T HA 0.006 4.356 4.350 -0.000 0.000 0.267 113 T C 2.462 177.079 174.700 -0.138 0.000 1.036 113 T CA 1.491 63.592 62.100 0.003 0.000 1.148 113 T CB -0.911 67.999 68.868 0.071 0.000 0.863 113 T HN 0.615 nan 8.240 nan 0.000 0.436 114 A N 1.092 123.606 122.820 -0.509 0.000 1.865 114 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 114 A C 2.307 179.720 177.584 -0.285 0.000 1.191 114 A CA 1.438 53.037 52.037 -0.729 0.000 0.623 114 A CB -0.895 17.567 19.000 -0.896 0.000 0.826 114 A HN 0.515 nan 8.150 nan 0.000 0.444 115 I N -1.294 119.110 120.570 -0.278 0.000 2.264 115 I HA -0.259 3.911 4.170 -0.000 0.000 0.248 115 I C 1.688 177.581 176.117 -0.374 0.000 1.111 115 I CA 1.506 62.605 61.300 -0.335 0.000 1.382 115 I CB -0.244 37.491 38.000 -0.442 0.000 1.060 115 I HN 0.458 nan 8.210 nan 0.000 0.418 116 H N -1.428 117.611 119.070 -0.052 0.000 2.594 116 H HA 0.114 4.670 4.556 -0.000 0.000 0.279 116 H C 0.164 175.497 175.328 0.008 0.000 1.042 116 H CA -0.404 55.631 56.048 -0.022 0.000 1.177 116 H CB -0.024 29.724 29.762 -0.024 0.000 1.524 116 H HN 0.033 nan 8.280 nan 0.000 0.537 117 D N 3.003 123.463 120.400 0.101 0.000 2.455 117 D HA -0.056 4.584 4.640 -0.000 0.000 0.265 117 D C -1.410 174.950 176.300 0.100 0.000 1.284 117 D CA -1.050 53.028 54.000 0.129 0.000 0.944 117 D CB 1.088 42.005 40.800 0.194 0.000 1.121 117 D HN 0.255 nan 8.370 nan 0.000 0.525 118 P HA 0.006 nan 4.420 nan 0.000 0.245 118 P C 1.084 178.417 177.300 0.056 0.000 1.203 118 P CA 0.194 63.333 63.100 0.064 0.000 0.792 118 P CB 0.605 32.339 31.700 0.055 0.000 0.997 119 T N 0.371 114.965 114.554 0.066 0.000 2.755 119 T HA 0.103 4.453 4.350 -0.000 0.000 0.251 119 T C 1.752 176.484 174.700 0.054 0.000 1.044 119 T CA 1.023 63.156 62.100 0.055 0.000 1.154 119 T CB -0.507 68.395 68.868 0.056 0.000 0.866 119 T HN 0.025 nan 8.240 nan 0.000 0.416 120 L N 0.278 121.547 121.223 0.076 0.000 2.416 120 L HA 0.244 4.584 4.340 -0.000 0.000 0.216 120 L C 0.330 177.240 176.870 0.066 0.000 1.098 120 L CA 0.118 55.001 54.840 0.072 0.000 0.840 120 L CB -0.276 41.841 42.059 0.097 0.000 0.981 120 L HN 0.222 nan 8.230 nan 0.000 0.462 121 K N 0.280 120.722 120.400 0.071 0.000 3.730 121 K HA -0.162 4.158 4.320 -0.000 0.000 0.276 121 K C -2.275 174.338 176.600 0.022 0.000 0.904 121 K CA -0.219 56.092 56.287 0.041 0.000 0.741 121 K CB -1.655 30.861 32.500 0.027 0.000 1.542 121 K HN 0.241 nan 8.250 nan 0.000 0.446 122 P HA -0.000 nan 4.420 nan 0.000 0.275 122 P C 0.542 177.832 177.300 -0.017 0.000 1.228 122 P CA -0.160 62.945 63.100 0.008 0.000 0.786 122 P CB 1.420 33.143 31.700 0.038 0.000 0.927 123 S N 1.140 116.824 115.700 -0.026 0.000 2.503 123 S HA 0.188 4.658 4.470 -0.000 0.000 0.215 123 S C 0.664 175.252 174.600 -0.021 0.000 1.003 123 S CA 0.018 58.203 58.200 -0.026 0.000 0.910 123 S CB -0.212 62.970 63.200 -0.030 0.000 0.790 123 S HN 0.472 nan 8.310 nan 0.000 0.514 124 V N 0.235 120.139 119.914 -0.018 0.000 2.971 124 V HA 0.812 4.932 4.120 -0.000 0.000 0.309 124 V C -1.752 174.351 176.094 0.014 0.000 1.130 124 V CA -0.772 61.528 62.300 0.000 0.000 0.964 124 V CB 2.228 34.056 31.823 0.008 0.000 1.029 124 V HN 0.102 nan 8.190 nan 0.000 0.427 125 V N 4.387 124.318 119.914 0.027 0.000 2.531 125 V HA 0.641 4.761 4.120 -0.000 0.000 0.301 125 V C -0.039 176.095 176.094 0.067 0.000 1.034 125 V CA -0.204 62.124 62.300 0.045 0.000 0.865 125 V CB 1.740 33.581 31.823 0.030 0.000 0.995 125 V HN 1.031 nan 8.190 nan 0.000 0.424 126 S N 5.628 121.388 115.700 0.099 0.000 2.449 126 S HA 0.786 5.256 4.470 -0.000 0.000 0.310 126 S C -0.811 173.875 174.600 0.143 0.000 1.096 126 S CA -0.431 57.835 58.200 0.111 0.000 1.095 126 S CB 0.434 63.708 63.200 0.123 0.000 1.007 126 S HN 0.558 nan 8.310 nan 0.000 0.474 127 I N 3.700 124.360 120.570 0.149 0.000 2.466 127 I HA 0.343 4.513 4.170 -0.000 0.000 0.289 127 I C 0.119 176.372 176.117 0.227 0.000 1.026 127 I CA -0.405 61.040 61.300 0.241 0.000 1.078 127 I CB 2.385 40.545 38.000 0.266 0.000 1.249 127 I HN 0.527 nan 8.210 nan 0.000 0.429 128 S N 4.314 120.186 115.700 0.286 0.000 2.843 128 S HA 0.272 4.742 4.470 -0.000 0.000 0.249 128 S C -1.098 173.526 174.600 0.040 0.000 1.047 128 S CA -0.449 57.819 58.200 0.113 0.000 1.042 128 S CB 0.051 63.240 63.200 -0.019 0.000 0.936 128 S HN 0.472 nan 8.310 nan 0.000 0.531 129 W N 0.314 121.687 121.300 0.122 0.000 2.844 129 W HA 0.780 5.440 4.660 -0.000 0.000 0.340 129 W C 0.411 177.139 176.519 0.348 0.000 1.093 129 W CA -0.637 56.781 57.345 0.122 0.000 1.212 129 W CB 1.077 30.471 29.460 -0.110 0.000 1.422 129 W HN 0.139 nan 8.180 nan 0.000 0.515 130 G N -0.273 108.883 108.800 0.594 0.000 2.578 130 G HA2 0.690 4.650 3.960 -0.000 0.000 0.302 130 G HA3 0.690 4.650 3.960 -0.000 0.000 0.302 130 G C -1.033 174.231 174.900 0.608 0.000 1.243 130 G CA -0.059 45.464 45.100 0.705 0.000 0.843 130 G HN 1.031 nan 8.290 nan 0.000 0.486 131 G N -1.106 108.108 108.800 0.691 0.000 2.519 131 G HA2 0.616 4.576 3.960 -0.000 0.000 0.292 131 G HA3 0.616 4.576 3.960 -0.000 0.000 0.292 131 G C -3.447 171.809 174.900 0.594 0.000 1.507 131 G CA -0.692 44.707 45.100 0.499 0.000 0.806 131 G HN 0.491 nan 8.290 nan 0.000 0.523 132 P HA 0.025 nan 4.420 nan 0.000 0.261 132 P C 0.992 178.572 177.300 0.467 0.000 1.173 132 P CA 0.310 63.600 63.100 0.317 0.000 0.760 132 P CB 0.856 32.612 31.700 0.095 0.000 0.783 133 E N 3.698 124.153 120.200 0.426 0.000 2.171 133 E HA -0.287 4.063 4.350 -0.000 0.000 0.197 133 E C 0.755 177.538 176.600 0.304 0.000 0.997 133 E CA 1.630 58.251 56.400 0.368 0.000 0.810 133 E CB -0.263 29.609 29.700 0.286 0.000 0.738 133 E HN 0.453 nan 8.360 nan 0.000 0.467 134 D N 0.770 121.317 120.400 0.245 0.000 2.363 134 D HA -0.102 4.537 4.640 -0.000 0.000 0.226 134 D C 1.751 178.141 176.300 0.150 0.000 1.020 134 D CA 0.992 55.092 54.000 0.167 0.000 0.892 134 D CB 0.006 40.904 40.800 0.164 0.000 0.900 134 D HN 0.256 nan 8.370 nan 0.000 0.531 135 S N -1.668 114.153 115.700 0.203 0.000 2.503 135 S HA 0.075 4.545 4.470 -0.000 0.000 0.217 135 S C 0.353 174.998 174.600 0.075 0.000 0.999 135 S CA -0.779 57.480 58.200 0.098 0.000 0.914 135 S CB -0.554 62.668 63.200 0.038 0.000 0.782 135 S HN 0.160 nan 8.310 nan 0.000 0.520 136 W N 3.686 125.022 121.300 0.061 0.000 2.184 136 W HA 0.455 5.114 4.660 -0.000 0.000 0.338 136 W C 1.076 177.596 176.519 0.001 0.000 1.257 136 W CA -0.337 57.038 57.345 0.050 0.000 1.243 136 W CB 0.210 29.684 29.460 0.023 0.000 1.122 136 W HN 0.113 nan 8.180 nan 0.000 0.585 137 T N -1.435 113.256 114.554 0.229 0.000 2.860 137 T HA 0.101 4.451 4.350 -0.000 0.000 0.299 137 T C 1.262 176.022 174.700 0.101 0.000 1.045 137 T CA -0.049 62.126 62.100 0.125 0.000 1.071 137 T CB 1.076 69.999 68.868 0.092 0.000 0.985 137 T HN 0.498 nan 8.240 nan 0.000 0.537 138 S N 1.325 117.048 115.700 0.038 0.000 2.402 138 S HA -0.048 4.422 4.470 -0.000 0.000 0.229 138 S C 2.370 176.967 174.600 -0.005 0.000 1.021 138 S CA 0.480 58.673 58.200 -0.011 0.000 0.974 138 S CB -1.047 62.136 63.200 -0.029 0.000 0.800 138 S HN 1.020 nan 8.310 nan 0.000 0.484 139 A N 1.999 124.833 122.820 0.023 0.000 1.933 139 A HA 0.338 4.658 4.320 -0.000 0.000 0.218 139 A C 2.489 180.102 177.584 0.049 0.000 1.175 139 A CA 1.591 53.644 52.037 0.026 0.000 0.628 139 A CB -1.326 17.693 19.000 0.031 0.000 0.814 139 A HN 0.820 nan 8.150 nan 0.000 0.444 140 A N -0.223 122.664 122.820 0.112 0.000 1.929 140 A HA 0.032 4.352 4.320 -0.000 0.000 0.216 140 A C 1.976 179.607 177.584 0.079 0.000 1.176 140 A CA 1.289 53.437 52.037 0.186 0.000 0.628 140 A CB -0.413 18.844 19.000 0.428 0.000 0.816 140 A HN 0.374 nan 8.150 nan 0.000 0.444 141 I N 0.207 120.744 120.570 -0.055 0.000 2.163 141 I HA -0.284 3.886 4.170 -0.000 0.000 0.243 141 I C 2.894 178.917 176.117 -0.157 0.000 1.085 141 I CA 1.675 62.739 61.300 -0.395 0.000 1.347 141 I CB -1.463 36.270 38.000 -0.446 0.000 1.044 141 I HN 0.377 nan 8.210 nan 0.000 0.408 142 A N 0.394 123.173 122.820 -0.067 0.000 1.929 142 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 142 A C 2.533 180.120 177.584 0.005 0.000 1.176 142 A CA 1.665 53.700 52.037 -0.005 0.000 0.628 142 A CB -0.685 18.306 19.000 -0.014 0.000 0.816 142 A HN 0.412 nan 8.150 nan 0.000 0.444 143 A N -0.638 122.175 122.820 -0.012 0.000 1.898 143 A HA -0.064 4.256 4.320 -0.000 0.000 0.216 143 A C 2.223 179.741 177.584 -0.110 0.000 1.181 143 A CA 1.733 53.746 52.037 -0.039 0.000 0.620 143 A CB -0.467 18.523 19.000 -0.017 0.000 0.819 143 A HN 0.444 nan 8.150 nan 0.000 0.442 144 M N -0.260 119.277 119.600 -0.105 0.000 2.086 144 M HA -0.150 4.330 4.480 -0.000 0.000 0.261 144 M C 2.135 178.224 176.300 -0.351 0.000 1.067 144 M CA 1.586 56.702 55.300 -0.307 0.000 1.116 144 M CB -1.477 31.086 32.600 -0.061 0.000 1.348 144 M HN 0.646 nan 8.290 nan 0.000 0.407 145 N N 0.351 119.131 118.700 0.134 0.000 2.094 145 N HA -0.231 4.509 4.740 -0.000 0.000 0.191 145 N C 1.851 177.412 175.510 0.084 0.000 1.023 145 N CA 1.423 54.651 53.050 0.297 0.000 0.857 145 N CB 0.058 38.810 38.487 0.441 0.000 1.013 145 N HN 0.132 nan 8.380 nan 0.000 0.426 146 R N 1.049 121.536 120.500 -0.022 0.000 2.092 146 R HA 0.044 4.384 4.340 -0.000 0.000 0.231 146 R C 2.049 178.243 176.300 -0.177 0.000 1.119 146 R CA 1.534 57.581 56.100 -0.089 0.000 0.970 146 R CB -0.772 29.492 30.300 -0.061 0.000 0.864 146 R HN 0.267 nan 8.270 nan 0.000 0.440 147 A N -0.215 122.438 122.820 -0.277 0.000 1.908 147 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 147 A C 1.883 179.283 177.584 -0.308 0.000 1.181 147 A CA 1.506 53.341 52.037 -0.338 0.000 0.627 147 A CB -0.757 17.939 19.000 -0.507 0.000 0.818 147 A HN 0.363 nan 8.150 nan 0.000 0.445 148 F N -0.200 119.668 119.950 -0.138 0.000 2.234 148 F HA -0.073 4.454 4.527 -0.000 0.000 0.299 148 F C 2.111 177.692 175.800 -0.365 0.000 1.087 148 F CA 0.492 58.387 58.000 -0.174 0.000 1.340 148 F CB -0.664 38.291 39.000 -0.076 0.000 1.031 148 F HN 0.212 nan 8.300 nan 0.000 0.500 149 L N 0.482 121.463 121.223 -0.403 0.000 2.017 149 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 149 L C 1.652 178.228 176.870 -0.490 0.000 1.073 149 L CA 2.150 56.431 54.840 -0.931 0.000 0.745 149 L CB -0.945 40.632 42.059 -0.803 0.000 0.894 149 L HN 0.060 nan 8.230 nan 0.000 0.432 150 D N 0.699 120.934 120.400 -0.275 0.000 2.144 150 D HA -0.139 4.501 4.640 -0.000 0.000 0.199 150 D C 2.267 178.469 176.300 -0.163 0.000 0.984 150 D CA 1.550 55.452 54.000 -0.164 0.000 0.834 150 D CB -0.030 40.731 40.800 -0.065 0.000 0.955 150 D HN 0.498 nan 8.370 nan 0.000 0.465 151 A N 1.011 123.729 122.820 -0.170 0.000 1.972 151 A HA -0.062 4.258 4.320 -0.000 0.000 0.219 151 A C 2.303 179.819 177.584 -0.112 0.000 1.169 151 A CA 2.081 54.037 52.037 -0.135 0.000 0.635 151 A CB -0.565 18.395 19.000 -0.066 0.000 0.810 151 A HN 0.245 nan 8.150 nan 0.000 0.446 152 A N -0.352 122.359 122.820 -0.182 0.000 1.969 152 A HA 0.252 4.572 4.320 -0.000 0.000 0.218 152 A C 2.433 179.970 177.584 -0.078 0.000 1.169 152 A CA 1.741 53.688 52.037 -0.150 0.000 0.635 152 A CB -0.787 17.953 19.000 -0.434 0.000 0.810 152 A HN 0.956 nan 8.150 nan 0.000 0.445 153 A N -0.305 122.443 122.820 -0.120 0.000 1.898 153 A HA 0.039 4.358 4.320 -0.000 0.000 0.216 153 A C 2.037 179.600 177.584 -0.036 0.000 1.181 153 A CA 1.305 53.303 52.037 -0.065 0.000 0.620 153 A CB -0.508 18.448 19.000 -0.074 0.000 0.819 153 A HN 0.441 nan 8.150 nan 0.000 0.442 154 L N -1.222 119.970 121.223 -0.052 0.000 2.465 154 L HA 0.076 4.415 4.340 -0.000 0.000 0.224 154 L C 1.683 178.535 176.870 -0.031 0.000 1.145 154 L CA 0.669 55.484 54.840 -0.042 0.000 0.834 154 L CB -0.226 41.784 42.059 -0.081 0.000 0.944 154 L HN 0.639 nan 8.230 nan 0.000 0.451 155 G N -0.035 108.753 108.800 -0.020 0.000 2.132 155 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.234 155 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.234 155 G C 0.037 174.933 174.900 -0.007 0.000 0.989 155 G CA 0.029 45.128 45.100 -0.002 0.000 0.676 155 G HN 0.105 nan 8.290 nan 0.000 0.522 156 V N 1.473 121.374 119.914 -0.022 0.000 2.439 156 V HA 0.560 4.680 4.120 -0.000 0.000 0.282 156 V C 0.892 176.988 176.094 0.005 0.000 1.039 156 V CA -0.032 62.255 62.300 -0.023 0.000 0.913 156 V CB 1.581 33.369 31.823 -0.058 0.000 0.983 156 V HN 0.329 nan 8.190 nan 0.000 0.460 157 T N 4.722 119.283 114.554 0.013 0.000 2.869 157 T HA 0.491 4.841 4.350 -0.000 0.000 0.295 157 T C -0.207 174.504 174.700 0.020 0.000 0.987 157 T CA -0.264 61.854 62.100 0.030 0.000 1.109 157 T CB 1.220 70.101 68.868 0.022 0.000 0.932 157 T HN 0.399 nan 8.240 nan 0.000 0.518 158 V N 4.617 124.536 119.914 0.010 0.000 2.483 158 V HA 0.462 4.582 4.120 -0.000 0.000 0.297 158 V C -0.668 175.389 176.094 -0.062 0.000 1.027 158 V CA -0.886 61.393 62.300 -0.035 0.000 0.855 158 V CB 1.292 33.064 31.823 -0.085 0.000 0.995 158 V HN 0.644 nan 8.190 nan 0.000 0.424 159 L N 4.218 125.428 121.223 -0.021 0.000 2.329 159 L HA 0.961 5.301 4.340 -0.000 0.000 0.279 159 L C 0.155 177.022 176.870 -0.004 0.000 1.014 159 L CA -0.214 54.634 54.840 0.013 0.000 0.814 159 L CB 1.932 44.045 42.059 0.090 0.000 1.257 159 L HN 0.797 nan 8.230 nan 0.000 0.424 160 A N 1.899 124.712 122.820 -0.012 0.000 2.486 160 A HA 0.897 5.217 4.320 -0.000 0.000 0.300 160 A C -0.634 176.978 177.584 0.048 0.000 1.048 160 A CA -0.531 51.509 52.037 0.005 0.000 0.696 160 A CB 1.423 20.372 19.000 -0.086 0.000 1.278 160 A HN 0.786 nan 8.150 nan 0.000 0.405 161 A N 0.764 123.630 122.820 0.077 0.000 2.488 161 A HA 0.506 4.826 4.320 -0.000 0.000 0.249 161 A C 1.247 178.897 177.584 0.111 0.000 1.083 161 A CA 0.410 52.500 52.037 0.089 0.000 0.768 161 A CB 0.004 19.053 19.000 0.082 0.000 1.017 161 A HN 2.132 nan 8.150 nan 0.000 0.496 162 A N 2.256 125.150 122.820 0.123 0.000 2.167 162 A HA 0.497 4.816 4.320 -0.000 0.000 0.214 162 A C 1.299 178.977 177.584 0.157 0.000 1.151 162 A CA 1.243 53.360 52.037 0.133 0.000 0.735 162 A CB -0.698 18.378 19.000 0.127 0.000 0.802 162 A HN 2.734 nan 8.150 nan 0.000 0.467 163 G N -1.522 107.379 108.800 0.169 0.000 2.428 163 G HA2 0.205 4.165 3.960 -0.000 0.000 0.681 163 G HA3 0.205 4.165 3.960 -0.000 0.000 0.681 163 G C -1.048 173.966 174.900 0.189 0.000 1.340 163 G CA -0.093 45.109 45.100 0.170 0.000 0.915 163 G HN -0.009 nan 8.290 nan 0.000 0.645 164 D N -0.276 120.219 120.400 0.159 0.000 2.535 164 D HA 0.361 5.001 4.640 -0.000 0.000 0.229 164 D C 1.064 177.333 176.300 -0.052 0.000 1.238 164 D CA 0.474 54.573 54.000 0.165 0.000 0.824 164 D CB 0.893 41.900 40.800 0.346 0.000 1.045 164 D HN 0.279 nan 8.370 nan 0.000 0.500 165 S N 0.104 115.785 115.700 -0.032 0.000 2.902 165 S HA 0.527 4.997 4.470 -0.000 0.000 0.250 165 S C 0.707 175.287 174.600 -0.034 0.000 1.046 165 S CA -0.123 58.053 58.200 -0.042 0.000 1.069 165 S CB 1.237 64.452 63.200 0.026 0.000 0.967 165 S HN 0.451 nan 8.310 nan 0.000 0.530 166 G N 2.387 111.138 108.800 -0.082 0.000 2.693 166 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.226 166 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.226 166 G C 0.742 175.704 174.900 0.102 0.000 1.354 166 G CA -0.123 44.959 45.100 -0.029 0.000 0.873 166 G HN 0.848 nan 8.290 nan 0.000 0.562 167 S N -1.548 114.260 115.700 0.179 0.000 2.515 167 S HA 0.009 4.479 4.470 -0.000 0.000 0.231 167 S C 1.996 176.834 174.600 0.397 0.000 0.987 167 S CA 2.121 60.526 58.200 0.341 0.000 0.936 167 S CB -0.360 63.066 63.200 0.376 0.000 0.766 167 S HN 1.893 nan 8.310 nan 0.000 0.528 168 T N -1.844 112.863 114.554 0.255 0.000 3.086 168 T HA 0.198 4.548 4.350 -0.000 0.000 0.250 168 T C 0.329 175.170 174.700 0.234 0.000 1.074 168 T CA 0.269 62.498 62.100 0.216 0.000 0.988 168 T CB -0.496 68.409 68.868 0.063 0.000 0.988 168 T HN 0.260 nan 8.240 nan 0.000 0.530 169 D N 1.602 122.112 120.400 0.184 0.000 2.737 169 D HA -0.159 4.481 4.640 -0.000 0.000 0.233 169 D C 1.260 177.614 176.300 0.090 0.000 1.155 169 D CA 1.460 55.550 54.000 0.150 0.000 0.667 169 D CB -1.587 39.334 40.800 0.201 0.000 1.060 169 D HN 0.856 nan 8.370 nan 0.000 0.427 170 G N -0.694 108.144 108.800 0.063 0.000 2.143 170 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.249 170 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.249 170 G C 0.101 175.005 174.900 0.005 0.000 0.981 170 G CA 0.475 45.594 45.100 0.032 0.000 0.665 170 G HN 0.536 nan 8.290 nan 0.000 0.528 171 E N 0.191 120.389 120.200 -0.005 0.000 2.195 171 E HA 0.454 4.804 4.350 -0.000 0.000 0.271 171 E C -0.040 176.569 176.600 0.015 0.000 0.923 171 E CA -0.636 55.734 56.400 -0.049 0.000 0.790 171 E CB 0.778 30.320 29.700 -0.262 0.000 1.155 171 E HN 0.371 nan 8.360 nan 0.000 0.402 172 Q N 2.886 122.690 119.800 0.007 0.000 2.788 172 Q HA 0.125 4.465 4.340 -0.000 0.000 0.285 172 Q C -0.770 175.238 176.000 0.013 0.000 1.063 172 Q CA -0.195 55.611 55.803 0.006 0.000 0.958 172 Q CB 0.437 29.172 28.738 -0.004 0.000 1.211 172 Q HN 0.522 nan 8.270 nan 0.000 0.478 173 D N -0.508 119.917 120.400 0.042 0.000 2.503 173 D HA 0.135 4.775 4.640 -0.000 0.000 0.218 173 D C 1.166 177.467 176.300 0.001 0.000 1.183 173 D CA 0.254 54.280 54.000 0.044 0.000 0.827 173 D CB 0.466 41.330 40.800 0.107 0.000 1.034 173 D HN 0.492 nan 8.370 nan 0.000 0.510 174 G N 0.562 109.331 108.800 -0.050 0.000 2.234 174 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.260 174 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.260 174 G C 0.087 174.841 174.900 -0.244 0.000 0.987 174 G CA 0.538 45.560 45.100 -0.131 0.000 0.625 174 G HN 0.404 nan 8.290 nan 0.000 0.532 175 L N 0.009 121.114 121.223 -0.196 0.000 2.379 175 L HA 0.636 4.975 4.340 -0.000 0.000 0.269 175 L C 0.694 177.220 176.870 -0.572 0.000 1.084 175 L CA -1.393 53.245 54.840 -0.337 0.000 0.802 175 L CB 0.642 42.524 42.059 -0.296 0.000 1.175 175 L HN 0.091 nan 8.230 nan 0.000 0.448 176 Y N 0.415 120.553 120.300 -0.270 0.000 2.307 176 Y HA 0.360 4.910 4.550 -0.000 0.000 0.324 176 Y C 0.255 175.959 175.900 -0.327 0.000 1.238 176 Y CA -0.118 57.887 58.100 -0.158 0.000 1.280 176 Y CB 0.721 39.183 38.460 0.003 0.000 1.248 176 Y HN 0.362 nan 8.280 nan 0.000 0.508 177 H N 0.604 119.851 119.070 0.295 0.000 2.954 177 H HA 0.452 5.007 4.556 -0.000 0.000 0.361 177 H C -0.928 174.541 175.328 0.234 0.000 1.122 177 H CA -0.894 55.290 56.048 0.228 0.000 1.217 177 H CB 1.580 31.445 29.762 0.172 0.000 1.776 177 H HN 0.540 nan 8.280 nan 0.000 0.533 178 V N -0.199 119.917 119.914 0.337 0.000 3.109 178 V HA 0.442 4.562 4.120 -0.000 0.000 0.317 178 V C 0.072 176.350 176.094 0.307 0.000 1.074 178 V CA -0.723 61.745 62.300 0.280 0.000 1.033 178 V CB 1.794 33.753 31.823 0.227 0.000 1.111 178 V HN 0.693 nan 8.190 nan 0.000 0.458 179 D N -0.100 120.468 120.400 0.280 0.000 2.181 179 D HA 0.558 5.198 4.640 -0.000 0.000 0.248 179 D C -1.398 175.104 176.300 0.337 0.000 1.020 179 D CA -0.361 53.830 54.000 0.319 0.000 0.891 179 D CB 1.620 42.581 40.800 0.268 0.000 1.187 179 D HN 0.608 nan 8.370 nan 0.000 0.443 180 F N 3.516 123.600 119.950 0.223 0.000 2.482 180 F HA 0.461 4.988 4.527 -0.000 0.000 0.331 180 F C -1.916 173.938 175.800 0.089 0.000 1.115 180 F CA -2.368 55.640 58.000 0.014 0.000 0.955 180 F CB 2.354 41.164 39.000 -0.317 0.000 1.136 180 F HN 0.231 nan 8.300 nan 0.000 0.452 181 P HA 0.113 nan 4.420 nan 0.000 0.255 181 P C 0.696 177.565 177.300 -0.718 0.000 1.248 181 P CA 0.620 62.819 63.100 -1.502 0.000 0.807 181 P CB 0.254 31.341 31.700 -1.022 0.000 1.150 182 A N 1.285 123.944 122.820 -0.269 0.000 1.978 182 A HA -0.069 4.251 4.320 -0.000 0.000 0.220 182 A C 2.292 179.822 177.584 -0.090 0.000 1.170 182 A CA 1.869 53.823 52.037 -0.138 0.000 0.636 182 A CB -1.343 17.666 19.000 0.014 0.000 0.810 182 A HN 0.257 nan 8.150 nan 0.000 0.448 183 A N -0.526 122.305 122.820 0.019 0.000 2.209 183 A HA 0.234 4.554 4.320 -0.000 0.000 0.212 183 A C 1.482 178.990 177.584 -0.126 0.000 1.158 183 A CA 0.812 52.918 52.037 0.115 0.000 0.742 183 A CB -0.716 18.502 19.000 0.363 0.000 0.790 183 A HN 0.554 nan 8.150 nan 0.000 0.472 184 S N 0.629 116.176 115.700 -0.256 0.000 2.575 184 S HA 0.130 4.599 4.470 -0.000 0.000 0.295 184 S C -1.434 172.908 174.600 -0.431 0.000 1.267 184 S CA -0.713 57.192 58.200 -0.492 0.000 1.074 184 S CB 0.601 63.631 63.200 -0.283 0.000 0.829 184 S HN 0.227 nan 8.310 nan 0.000 0.497 185 P HA 0.033 nan 4.420 nan 0.000 0.230 185 P C -0.149 177.033 177.300 -0.197 0.000 1.158 185 P CA 0.828 63.797 63.100 -0.218 0.000 0.769 185 P CB -0.036 31.480 31.700 -0.308 0.000 0.807 186 Y N -1.539 118.727 120.300 -0.057 0.000 2.470 186 Y HA 0.151 4.701 4.550 -0.000 0.000 0.284 186 Y C 0.869 176.679 175.900 -0.151 0.000 1.188 186 Y CA -0.203 57.787 58.100 -0.184 0.000 1.269 186 Y CB -0.054 38.244 38.460 -0.270 0.000 1.094 186 Y HN -0.266 nan 8.280 nan 0.000 0.518 187 V N 1.422 121.279 119.914 -0.096 0.000 2.581 187 V HA 0.226 4.346 4.120 -0.000 0.000 0.303 187 V C -0.523 175.537 176.094 -0.057 0.000 1.041 187 V CA -1.219 60.947 62.300 -0.223 0.000 0.907 187 V CB 2.125 33.636 31.823 -0.520 0.000 0.994 187 V HN -0.072 nan 8.190 nan 0.000 0.442 188 L N 5.181 126.382 121.223 -0.038 0.000 2.334 188 L HA 0.621 4.960 4.340 -0.000 0.000 0.286 188 L C 0.559 177.448 176.870 0.033 0.000 1.108 188 L CA -0.458 54.393 54.840 0.019 0.000 0.875 188 L CB -0.128 41.943 42.059 0.020 0.000 1.246 188 L HN 0.746 nan 8.230 nan 0.000 0.439 189 A N 5.132 127.988 122.820 0.059 0.000 2.451 189 A HA 0.402 4.722 4.320 -0.000 0.000 0.266 189 A C 0.003 177.658 177.584 0.119 0.000 1.119 189 A CA -0.246 51.834 52.037 0.072 0.000 0.786 189 A CB -0.435 18.624 19.000 0.098 0.000 1.061 189 A HN 0.837 nan 8.150 nan 0.000 0.503 190 C N 3.400 122.777 119.300 0.127 0.000 2.281 190 C HA 0.685 5.145 4.460 -0.000 0.000 0.323 190 C C 1.252 176.331 174.990 0.149 0.000 1.270 190 C CA -0.404 58.721 59.018 0.179 0.000 1.559 190 C CB 0.274 28.125 27.740 0.186 0.000 2.239 190 C HN 1.065 nan 8.230 nan 0.000 0.488 191 G N 1.947 110.838 108.800 0.151 0.000 2.537 191 G HA2 0.688 4.648 3.960 -0.000 0.000 0.297 191 G HA3 0.688 4.648 3.960 -0.000 0.000 0.297 191 G C -0.171 174.837 174.900 0.181 0.000 1.310 191 G CA -0.339 44.848 45.100 0.145 0.000 1.027 191 G HN 1.027 nan 8.290 nan 0.000 0.505 192 G N -1.252 107.694 108.800 0.242 0.000 2.495 192 G HA2 0.654 4.613 3.960 -0.000 0.000 0.318 192 G HA3 0.654 4.613 3.960 -0.000 0.000 0.318 192 G C -0.449 174.641 174.900 0.318 0.000 1.257 192 G CA 0.115 45.403 45.100 0.314 0.000 0.962 192 G HN 1.019 nan 8.290 nan 0.000 0.483 193 T N -1.555 113.149 114.554 0.250 0.000 2.883 193 T HA 0.648 4.998 4.350 -0.000 0.000 0.296 193 T C -0.529 174.276 174.700 0.174 0.000 1.117 193 T CA -0.963 61.275 62.100 0.230 0.000 1.006 193 T CB 2.258 71.243 68.868 0.195 0.000 1.191 193 T HN 0.566 nan 8.240 nan 0.000 0.508 194 R N 1.322 121.926 120.500 0.174 0.000 2.198 194 R HA 0.562 4.902 4.340 -0.000 0.000 0.339 194 R C -1.077 175.278 176.300 0.091 0.000 1.020 194 R CA -0.826 55.342 56.100 0.113 0.000 0.864 194 R CB 0.310 30.693 30.300 0.138 0.000 1.105 194 R HN 0.601 nan 8.270 nan 0.000 0.463 195 L N 5.316 126.568 121.223 0.047 0.000 2.307 195 L HA 0.431 4.770 4.340 -0.000 0.000 0.282 195 L C -1.269 175.622 176.870 0.036 0.000 1.051 195 L CA -0.346 54.495 54.840 0.003 0.000 0.804 195 L CB 1.960 43.925 42.059 -0.156 0.000 1.197 195 L HN 0.382 nan 8.230 nan 0.000 0.431 196 V N 5.684 125.610 119.914 0.020 0.000 2.357 196 V HA 0.823 4.943 4.120 -0.000 0.000 0.281 196 V C -0.085 176.009 176.094 0.001 0.000 1.015 196 V CA -0.142 62.198 62.300 0.068 0.000 0.827 196 V CB 0.947 32.805 31.823 0.060 0.000 1.018 196 V HN 1.025 nan 8.190 nan 0.000 0.432 197 A N 3.632 126.452 122.820 -0.001 0.000 2.380 197 A HA 0.985 5.305 4.320 -0.000 0.000 0.315 197 A C -0.414 177.189 177.584 0.031 0.000 1.101 197 A CA -0.629 51.364 52.037 -0.072 0.000 0.771 197 A CB 2.234 21.069 19.000 -0.275 0.000 1.287 197 A HN 0.754 nan 8.150 nan 0.000 0.436 198 S N -0.528 115.170 115.700 -0.004 0.000 2.542 198 S HA 0.517 4.987 4.470 -0.000 0.000 0.276 198 S C 0.300 174.895 174.600 -0.008 0.000 1.148 198 S CA 0.693 58.899 58.200 0.011 0.000 0.886 198 S CB 0.941 64.150 63.200 0.015 0.000 1.109 198 S HN 2.706 nan 8.310 nan 0.000 0.458 199 G N 2.153 110.949 108.800 -0.007 0.000 2.258 199 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.274 199 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.274 199 G C 1.379 176.268 174.900 -0.018 0.000 1.021 199 G CA 1.073 46.167 45.100 -0.010 0.000 0.798 199 G HN 2.273 nan 8.290 nan 0.000 0.507 200 G N -1.529 107.250 108.800 -0.034 0.000 2.179 200 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.257 200 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.257 200 G C 0.288 175.162 174.900 -0.043 0.000 1.010 200 G CA 1.302 46.374 45.100 -0.046 0.000 0.736 200 G HN 2.066 nan 8.290 nan 0.000 0.513 201 R N -0.705 119.768 120.500 -0.044 0.000 2.670 201 R HA 0.762 5.101 4.340 -0.000 0.000 0.289 201 R C 0.093 176.354 176.300 -0.065 0.000 0.965 201 R CA -1.365 54.712 56.100 -0.039 0.000 0.899 201 R CB 1.111 31.401 30.300 -0.016 0.000 1.173 201 R HN 0.125 nan 8.270 nan 0.000 0.456 202 I N 2.958 123.477 120.570 -0.085 0.000 2.587 202 I HA 0.083 4.252 4.170 -0.000 0.000 0.284 202 I C 0.987 177.065 176.117 -0.065 0.000 1.134 202 I CA 0.092 61.314 61.300 -0.130 0.000 1.410 202 I CB 1.294 39.120 38.000 -0.290 0.000 1.392 202 I HN 0.996 nan 8.210 nan 0.000 0.545 203 A N 6.129 128.926 122.820 -0.039 0.000 1.984 203 A HA 0.066 4.386 4.320 -0.000 0.000 0.214 203 A C 0.613 178.212 177.584 0.025 0.000 1.173 203 A CA 0.824 52.861 52.037 0.001 0.000 0.673 203 A CB 0.097 19.102 19.000 0.010 0.000 0.830 203 A HN 0.856 nan 8.150 nan 0.000 0.453 204 Q N -2.135 117.679 119.800 0.023 0.000 2.736 204 Q HA 0.575 4.915 4.340 -0.000 0.000 0.273 204 Q C -1.325 174.725 176.000 0.083 0.000 0.948 204 Q CA -0.684 55.162 55.803 0.071 0.000 0.854 204 Q CB 0.666 29.447 28.738 0.071 0.000 1.569 204 Q HN 0.155 nan 8.270 nan 0.000 0.405 205 E N 1.307 121.602 120.200 0.159 0.000 2.317 205 E HA 0.378 4.728 4.350 -0.000 0.000 0.270 205 E C -1.275 175.428 176.600 0.172 0.000 0.899 205 E CA -0.255 56.252 56.400 0.179 0.000 0.814 205 E CB 1.614 31.460 29.700 0.244 0.000 1.296 205 E HN 0.756 nan 8.360 nan 0.000 0.404 206 T N -0.879 113.756 114.554 0.135 0.000 2.889 206 T HA 0.509 4.859 4.350 -0.000 0.000 0.278 206 T C 0.218 174.993 174.700 0.125 0.000 0.995 206 T CA -0.736 61.431 62.100 0.112 0.000 0.966 206 T CB 1.036 69.960 68.868 0.095 0.000 1.237 206 T HN 0.129 nan 8.240 nan 0.000 0.591 207 V N 1.301 121.277 119.914 0.103 0.000 2.637 207 V HA 0.134 4.254 4.120 -0.000 0.000 0.296 207 V C -0.049 176.161 176.094 0.193 0.000 1.046 207 V CA -0.579 61.791 62.300 0.116 0.000 1.066 207 V CB 0.149 32.005 31.823 0.056 0.000 0.968 207 V HN 0.826 nan 8.190 nan 0.000 0.483 208 W N 7.406 128.732 121.300 0.043 0.000 2.446 208 W HA 0.339 4.999 4.660 -0.000 0.000 0.316 208 W C 0.025 176.569 176.519 0.042 0.000 1.376 208 W CA -0.505 56.866 57.345 0.044 0.000 1.300 208 W CB -0.109 29.381 29.460 0.049 0.000 1.351 208 W HN 0.611 nan 8.180 nan 0.000 0.530 209 N N 5.233 123.909 118.700 -0.040 0.000 2.655 209 N HA 0.084 4.824 4.740 -0.000 0.000 0.277 209 N C -1.277 174.197 175.510 -0.059 0.000 1.177 209 N CA -0.194 52.716 53.050 -0.234 0.000 0.882 209 N CB 0.964 39.383 38.487 -0.113 0.000 1.481 209 N HN 0.392 nan 8.380 nan 0.000 0.547 210 D N 2.050 122.400 120.400 -0.083 0.000 2.593 210 D HA 0.317 4.957 4.640 -0.000 0.000 0.241 210 D C 1.041 177.344 176.300 0.005 0.000 1.257 210 D CA 0.348 54.385 54.000 0.061 0.000 0.828 210 D CB 0.296 41.233 40.800 0.229 0.000 1.049 210 D HN 0.888 nan 8.370 nan 0.000 0.490 211 G N 2.167 110.935 108.800 -0.053 0.000 2.750 211 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.228 211 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.228 211 G C -1.826 173.044 174.900 -0.049 0.000 1.367 211 G CA -0.504 44.571 45.100 -0.042 0.000 0.871 211 G HN -0.003 nan 8.290 nan 0.000 0.560 212 P HA -0.036 nan 4.420 nan 0.000 0.215 212 P C 1.213 178.511 177.300 -0.004 0.000 1.153 212 P CA 1.874 64.962 63.100 -0.021 0.000 0.853 212 P CB -0.029 31.665 31.700 -0.010 0.000 0.788 213 D N -0.601 119.805 120.400 0.010 0.000 2.084 213 D HA -0.069 4.570 4.640 -0.000 0.000 0.196 213 D C 2.217 178.549 176.300 0.053 0.000 0.985 213 D CA 1.804 55.821 54.000 0.028 0.000 0.826 213 D CB -0.946 39.871 40.800 0.028 0.000 0.978 213 D HN 0.214 nan 8.370 nan 0.000 0.456 214 G N -0.768 108.072 108.800 0.066 0.000 2.744 214 G HA2 0.371 4.331 3.960 -0.000 0.000 0.211 214 G HA3 0.371 4.331 3.960 -0.000 0.000 0.211 214 G C 0.787 175.804 174.900 0.195 0.000 1.146 214 G CA 0.587 45.773 45.100 0.143 0.000 0.787 214 G HN 0.617 nan 8.290 nan 0.000 0.534 215 G N -1.296 107.512 108.800 0.014 0.000 2.756 215 G HA2 0.454 4.414 3.960 -0.000 0.000 0.678 215 G HA3 0.454 4.414 3.960 -0.000 0.000 0.678 215 G C -0.338 174.080 174.900 -0.803 0.000 1.349 215 G CA -0.276 44.714 45.100 -0.184 0.000 0.847 215 G HN 1.633 nan 8.290 nan 0.000 0.548 216 A N -1.117 120.942 122.820 -1.269 0.000 2.586 216 A HA 0.953 5.273 4.320 -0.000 0.000 0.290 216 A C 0.097 177.056 177.584 -1.043 0.000 1.086 216 A CA 0.819 51.907 52.037 -1.583 0.000 0.665 216 A CB 1.128 19.724 19.000 -0.675 0.000 1.279 216 A HN 2.393 nan 8.150 nan 0.000 0.423 217 T N 0.592 114.835 114.554 -0.520 0.000 2.916 217 T HA 0.463 4.813 4.350 -0.000 0.000 0.303 217 T C 0.896 175.595 174.700 -0.003 0.000 1.025 217 T CA 0.825 62.922 62.100 -0.005 0.000 1.142 217 T CB -0.118 68.853 68.868 0.173 0.000 0.947 217 T HN 1.542 nan 8.240 nan 0.000 0.544 218 G N 2.036 110.881 108.800 0.076 0.000 2.606 218 G HA2 0.568 4.528 3.960 -0.000 0.000 0.252 218 G HA3 0.568 4.528 3.960 -0.000 0.000 0.252 218 G C 0.192 175.147 174.900 0.092 0.000 1.206 218 G CA -0.069 45.091 45.100 0.100 0.000 0.861 218 G HN 1.184 nan 8.290 nan 0.000 0.561 219 G N -1.870 106.993 108.800 0.106 0.000 2.358 219 G HA2 0.708 4.667 3.960 -0.000 0.000 0.301 219 G HA3 0.708 4.667 3.960 -0.000 0.000 0.301 219 G C -0.276 174.625 174.900 0.001 0.000 1.539 219 G CA 0.440 45.564 45.100 0.040 0.000 0.893 219 G HN 2.144 nan 8.290 nan 0.000 0.636 220 G N -1.837 106.872 108.800 -0.151 0.000 2.441 220 G HA2 0.561 4.521 3.960 -0.000 0.000 0.222 220 G HA3 0.561 4.521 3.960 -0.000 0.000 0.222 220 G C -1.689 173.086 174.900 -0.208 0.000 1.254 220 G CA 0.496 45.335 45.100 -0.434 0.000 0.959 220 G HN 1.741 nan 8.290 nan 0.000 0.474 221 V N 0.750 120.608 119.914 -0.093 0.000 2.531 221 V HA 0.676 4.796 4.120 -0.000 0.000 0.301 221 V C 0.517 176.657 176.094 0.077 0.000 1.034 221 V CA -0.334 61.965 62.300 -0.003 0.000 0.865 221 V CB 1.316 33.134 31.823 -0.008 0.000 0.995 221 V HN 1.037 nan 8.190 nan 0.000 0.424 222 S N 2.998 118.753 115.700 0.092 0.000 2.549 222 S HA 0.259 4.729 4.470 -0.000 0.000 0.279 222 S C 1.035 175.685 174.600 0.084 0.000 1.321 222 S CA -0.192 58.094 58.200 0.143 0.000 1.054 222 S CB 0.666 64.011 63.200 0.241 0.000 0.899 222 S HN 0.738 nan 8.310 nan 0.000 0.497 223 R N 3.045 123.587 120.500 0.070 0.000 2.200 223 R HA 0.204 4.544 4.340 -0.000 0.000 0.208 223 R C 1.272 177.534 176.300 -0.063 0.000 1.033 223 R CA 0.959 57.068 56.100 0.015 0.000 1.000 223 R CB -0.088 30.231 30.300 0.032 0.000 0.906 223 R HN 0.634 nan 8.270 nan 0.000 0.462 224 I N -0.892 119.598 120.570 -0.134 0.000 2.731 224 I HA 0.093 4.263 4.170 -0.000 0.000 0.260 224 I C -0.089 175.706 176.117 -0.536 0.000 1.138 224 I CA 0.402 61.453 61.300 -0.415 0.000 1.461 224 I CB -0.140 37.428 38.000 -0.719 0.000 1.128 224 I HN -0.133 nan 8.210 nan 0.000 0.438 225 F N 2.045 121.978 119.950 -0.030 0.000 2.426 225 F HA 0.465 4.992 4.527 -0.000 0.000 0.348 225 F C -2.104 173.643 175.800 -0.089 0.000 1.124 225 F CA -2.742 55.228 58.000 -0.050 0.000 1.008 225 F CB 0.504 39.484 39.000 -0.034 0.000 1.139 225 F HN -0.195 nan 8.300 nan 0.000 0.452 226 P HA -0.011 nan 4.420 nan 0.000 0.269 226 P C -0.447 176.779 177.300 -0.123 0.000 1.217 226 P CA -0.386 62.685 63.100 -0.047 0.000 0.783 226 P CB 0.648 32.314 31.700 -0.055 0.000 0.898 227 L N 4.371 125.482 121.223 -0.187 0.000 2.584 227 L HA 0.161 4.501 4.340 -0.000 0.000 0.272 227 L C -2.134 174.488 176.870 -0.413 0.000 1.195 227 L CA -1.057 53.589 54.840 -0.323 0.000 0.920 227 L CB -0.508 41.367 42.059 -0.307 0.000 1.173 227 L HN 0.296 nan 8.230 nan 0.000 0.489 228 P HA 0.133 nan 4.420 nan 0.000 0.272 228 P C 0.026 176.849 177.300 -0.795 0.000 1.223 228 P CA -0.101 62.495 63.100 -0.840 0.000 0.784 228 P CB 0.950 31.648 31.700 -1.671 0.000 0.923 229 A N 2.944 125.456 122.820 -0.514 0.000 1.908 229 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 229 A C 1.689 179.130 177.584 -0.239 0.000 1.181 229 A CA 1.444 53.317 52.037 -0.273 0.000 0.627 229 A CB -1.521 17.433 19.000 -0.077 0.000 0.818 229 A HN 0.829 nan 8.150 nan 0.000 0.445 230 W N -0.823 120.379 121.300 -0.163 0.000 2.825 230 W HA 0.031 4.691 4.660 -0.000 0.000 0.243 230 W C 0.900 177.219 176.519 -0.334 0.000 1.293 230 W CA 0.717 57.951 57.345 -0.185 0.000 1.403 230 W CB -0.650 28.696 29.460 -0.189 0.000 1.134 230 W HN 0.430 nan 8.180 nan 0.000 0.666 231 Q N 0.789 120.159 119.800 -0.718 0.000 2.282 231 Q HA -0.012 4.328 4.340 -0.000 0.000 0.206 231 Q C 1.449 177.199 176.000 -0.417 0.000 0.878 231 Q CA 0.112 55.501 55.803 -0.690 0.000 0.944 231 Q CB 0.175 28.309 28.738 -1.008 0.000 1.100 231 Q HN 0.367 nan 8.270 nan 0.000 0.509 232 E N 0.127 120.126 120.200 -0.335 0.000 2.209 232 E HA -0.172 4.178 4.350 -0.000 0.000 0.196 232 E C 0.871 177.278 176.600 -0.322 0.000 0.993 232 E CA 0.861 57.068 56.400 -0.322 0.000 0.819 232 E CB 0.196 29.710 29.700 -0.309 0.000 0.745 232 E HN 0.334 nan 8.360 nan 0.000 0.477 233 H N -1.873 117.146 119.070 -0.086 0.000 2.507 233 H HA 0.326 4.881 4.556 -0.000 0.000 0.294 233 H C 0.485 175.809 175.328 -0.006 0.000 1.064 233 H CA 0.432 56.464 56.048 -0.027 0.000 1.138 233 H CB 0.902 30.674 29.762 0.016 0.000 1.515 233 H HN 0.107 nan 8.280 nan 0.000 0.547 234 A N 0.280 123.092 122.820 -0.014 0.000 2.348 234 A HA 0.049 4.369 4.320 -0.000 0.000 0.224 234 A C 1.072 178.642 177.584 -0.023 0.000 1.227 234 A CA -0.129 51.909 52.037 0.001 0.000 0.885 234 A CB 0.189 19.103 19.000 -0.143 0.000 0.933 234 A HN 0.459 nan 8.150 nan 0.000 0.506 235 N N -0.483 118.182 118.700 -0.058 0.000 2.818 235 N HA -0.132 4.608 4.740 -0.000 0.000 0.250 235 N C -0.449 175.055 175.510 -0.010 0.000 1.108 235 N CA 0.707 53.756 53.050 -0.002 0.000 0.745 235 N CB -1.246 37.297 38.487 0.093 0.000 1.104 235 N HN 0.186 nan 8.380 nan 0.000 0.557 236 V N 2.546 122.331 119.914 -0.216 0.000 2.485 236 V HA 0.159 4.279 4.120 -0.000 0.000 0.287 236 V C -0.914 175.121 176.094 -0.100 0.000 1.022 236 V CA -0.388 61.730 62.300 -0.304 0.000 1.067 236 V CB 0.848 32.295 31.823 -0.627 0.000 0.967 236 V HN 0.182 nan 8.190 nan 0.000 0.479 237 P HA 0.413 nan 4.420 nan 0.000 0.277 237 P C -2.669 174.635 177.300 0.007 0.000 1.271 237 P CA -1.659 61.464 63.100 0.038 0.000 0.795 237 P CB 0.379 32.150 31.700 0.118 0.000 1.101 238 P HA 0.031 nan 4.420 nan 0.000 0.274 238 P C 0.209 177.550 177.300 0.069 0.000 1.256 238 P CA -0.119 62.991 63.100 0.016 0.000 0.795 238 P CB 0.375 32.082 31.700 0.013 0.000 1.038 239 S N -0.192 115.550 115.700 0.069 0.000 2.573 239 S HA 0.181 4.651 4.470 -0.000 0.000 0.277 239 S C 1.471 176.152 174.600 0.137 0.000 1.346 239 S CA 0.138 58.421 58.200 0.137 0.000 1.034 239 S CB -0.223 63.042 63.200 0.108 0.000 0.879 239 S HN 0.504 nan 8.310 nan 0.000 0.528 240 A N 3.896 126.808 122.820 0.153 0.000 2.169 240 A HA 0.153 4.473 4.320 -0.000 0.000 0.212 240 A C 0.805 178.436 177.584 0.078 0.000 1.153 240 A CA 0.011 52.040 52.037 -0.013 0.000 0.756 240 A CB -0.521 18.210 19.000 -0.448 0.000 0.813 240 A HN 0.803 nan 8.150 nan 0.000 0.471 241 N N 1.254 120.040 118.700 0.143 0.000 2.441 241 N HA 0.217 4.957 4.740 -0.000 0.000 0.251 241 N C -2.763 172.787 175.510 0.065 0.000 1.242 241 N CA -1.267 51.855 53.050 0.121 0.000 0.898 241 N CB -0.274 38.263 38.487 0.082 0.000 1.100 241 N HN 0.024 nan 8.380 nan 0.000 0.443 242 P HA 0.007 nan 4.420 nan 0.000 0.257 242 P C 0.841 178.154 177.300 0.023 0.000 1.162 242 P CA 0.946 64.063 63.100 0.028 0.000 0.762 242 P CB 0.163 31.875 31.700 0.020 0.000 0.753 243 G N 3.132 111.942 108.800 0.018 0.000 2.612 243 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.200 243 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.200 243 G C 0.587 175.494 174.900 0.011 0.000 1.053 243 G CA 0.233 45.340 45.100 0.012 0.000 0.707 243 G HN 0.893 nan 8.290 nan 0.000 0.497 244 A N -0.632 122.200 122.820 0.020 0.000 2.872 244 A HA 0.050 4.370 4.320 -0.000 0.000 0.273 244 A C 1.037 178.627 177.584 0.010 0.000 1.442 244 A CA 1.884 53.934 52.037 0.020 0.000 0.801 244 A CB -2.347 16.660 19.000 0.013 0.000 1.031 244 A HN 2.216 nan 8.150 nan 0.000 0.582 245 S N 0.322 116.027 115.700 0.009 0.000 2.558 245 S HA 0.373 4.843 4.470 -0.000 0.000 0.291 245 S C 0.697 175.291 174.600 -0.011 0.000 1.306 245 S CA 0.360 58.557 58.200 -0.005 0.000 1.056 245 S CB 1.163 64.360 63.200 -0.005 0.000 0.836 245 S HN 1.302 nan 8.310 nan 0.000 0.504 246 S N 1.114 116.794 115.700 -0.032 0.000 2.589 246 S HA 0.629 5.098 4.470 -0.000 0.000 0.265 246 S C 0.476 175.041 174.600 -0.058 0.000 1.342 246 S CA 0.302 58.468 58.200 -0.057 0.000 1.005 246 S CB 0.145 63.299 63.200 -0.078 0.000 0.909 246 S HN 1.209 nan 8.310 nan 0.000 0.555 247 G N 1.944 110.692 108.800 -0.088 0.000 2.338 247 G HA2 0.293 4.253 3.960 -0.000 0.000 0.295 247 G HA3 0.293 4.253 3.960 -0.000 0.000 0.295 247 G C -1.380 173.448 174.900 -0.121 0.000 1.461 247 G CA -0.978 44.080 45.100 -0.070 0.000 0.817 247 G HN 0.704 nan 8.290 nan 0.000 0.556 248 R N 0.173 120.621 120.500 -0.086 0.000 2.538 248 R HA 0.352 4.692 4.340 -0.000 0.000 0.282 248 R C 0.529 176.758 176.300 -0.120 0.000 1.009 248 R CA 0.699 56.699 56.100 -0.167 0.000 1.063 248 R CB 0.221 30.470 30.300 -0.086 0.000 0.945 248 R HN 0.869 nan 8.270 nan 0.000 0.414 249 G N 2.408 111.072 108.800 -0.226 0.000 2.367 249 G HA2 0.475 4.435 3.960 -0.000 0.000 0.314 249 G HA3 0.475 4.435 3.960 -0.000 0.000 0.314 249 G C -0.989 174.105 174.900 0.324 0.000 1.130 249 G CA -0.562 44.537 45.100 -0.001 0.000 0.864 249 G HN 0.436 nan 8.290 nan 0.000 0.486 250 V N 3.965 124.103 119.914 0.373 0.000 2.555 250 V HA 0.543 4.663 4.120 -0.000 0.000 0.302 250 V C -1.835 174.358 176.094 0.164 0.000 1.038 250 V CA -1.360 61.109 62.300 0.281 0.000 0.887 250 V CB 2.206 34.127 31.823 0.163 0.000 0.991 250 V HN 0.707 nan 8.190 nan 0.000 0.434 251 P HA 0.471 nan 4.420 nan 0.000 0.336 251 P C -0.395 177.086 177.300 0.302 0.000 1.288 251 P CA -0.225 62.973 63.100 0.163 0.000 0.766 251 P CB 1.914 33.660 31.700 0.076 0.000 1.461 252 D N -1.407 119.141 120.400 0.247 0.000 2.490 252 D HA 0.233 4.873 4.640 -0.000 0.000 0.244 252 D C 0.641 176.931 176.300 -0.016 0.000 0.979 252 D CA 0.957 55.126 54.000 0.282 0.000 0.924 252 D CB 0.349 41.304 40.800 0.257 0.000 1.075 252 D HN 0.199 nan 8.370 nan 0.000 0.488 253 L N -0.178 121.032 121.223 -0.022 0.000 2.303 253 L HA 0.738 5.078 4.340 -0.000 0.000 0.256 253 L C -0.915 176.021 176.870 0.110 0.000 1.034 253 L CA -0.963 53.828 54.840 -0.082 0.000 0.832 253 L CB 2.424 44.354 42.059 -0.215 0.000 1.403 253 L HN -0.128 nan 8.230 nan 0.000 0.419 254 A N 0.010 122.933 122.820 0.171 0.000 2.574 254 A HA 0.908 5.228 4.320 -0.000 0.000 0.297 254 A C -0.865 176.918 177.584 0.333 0.000 1.062 254 A CA -0.089 52.092 52.037 0.240 0.000 0.686 254 A CB 1.958 21.020 19.000 0.104 0.000 1.285 254 A HN 0.783 nan 8.150 nan 0.000 0.403 255 G N -0.014 108.940 108.800 0.256 0.000 2.695 255 G HA2 0.487 4.447 3.960 -0.000 0.000 0.290 255 G HA3 0.487 4.447 3.960 -0.000 0.000 0.290 255 G C -0.767 174.272 174.900 0.232 0.000 1.410 255 G CA -0.771 44.490 45.100 0.269 0.000 0.844 255 G HN 1.032 nan 8.290 nan 0.000 0.478 256 N N -0.366 118.517 118.700 0.304 0.000 2.294 256 N HA 0.292 5.032 4.740 -0.000 0.000 0.263 256 N C 0.748 176.293 175.510 0.058 0.000 1.281 256 N CA 1.148 54.255 53.050 0.096 0.000 0.846 256 N CB 0.984 39.414 38.487 -0.094 0.000 1.061 256 N HN 0.785 nan 8.380 nan 0.000 0.478 257 A N 2.762 125.526 122.820 -0.093 0.000 2.591 257 A HA 0.102 4.421 4.320 -0.000 0.000 0.204 257 A C 0.070 177.161 177.584 -0.822 0.000 1.410 257 A CA -0.346 51.509 52.037 -0.303 0.000 1.065 257 A CB -0.061 18.788 19.000 -0.251 0.000 1.362 257 A HN 0.662 nan 8.150 nan 0.000 0.566 258 D N 1.254 121.256 120.400 -0.663 0.000 2.417 258 D HA 0.227 4.867 4.640 -0.000 0.000 0.250 258 D C -1.746 174.271 176.300 -0.472 0.000 1.166 258 D CA -1.497 52.018 54.000 -0.809 0.000 0.881 258 D CB 1.418 42.073 40.800 -0.242 0.000 1.164 258 D HN 0.023 nan 8.370 nan 0.000 0.467 259 P HA -0.041 nan 4.420 nan 0.000 0.225 259 P C 0.612 177.838 177.300 -0.123 0.000 1.148 259 P CA 0.815 63.795 63.100 -0.200 0.000 0.779 259 P CB 0.249 31.887 31.700 -0.102 0.000 0.780 260 A N -0.738 122.030 122.820 -0.087 0.000 2.167 260 A HA -0.002 4.317 4.320 -0.000 0.000 0.214 260 A C 1.482 179.011 177.584 -0.093 0.000 1.151 260 A CA 1.538 53.541 52.037 -0.056 0.000 0.735 260 A CB -1.095 17.903 19.000 -0.003 0.000 0.802 260 A HN 0.294 nan 8.150 nan 0.000 0.467 261 T N -3.252 111.232 114.554 -0.117 0.000 3.380 261 T HA 0.485 4.835 4.350 -0.000 0.000 0.289 261 T C 0.805 175.405 174.700 -0.168 0.000 1.012 261 T CA 0.200 62.233 62.100 -0.112 0.000 0.944 261 T CB 0.114 68.992 68.868 0.017 0.000 1.172 261 T HN 0.347 nan 8.240 nan 0.000 0.502 262 G N 0.780 109.449 108.800 -0.219 0.000 2.590 262 G HA2 0.406 4.366 3.960 -0.000 0.000 0.276 262 G HA3 0.406 4.366 3.960 -0.000 0.000 0.276 262 G C -0.992 173.692 174.900 -0.359 0.000 1.337 262 G CA -0.597 44.340 45.100 -0.273 0.000 1.030 262 G HN 0.489 nan 8.290 nan 0.000 0.534 263 Y N -0.141 120.120 120.300 -0.065 0.000 2.335 263 Y HA 0.341 4.891 4.550 -0.000 0.000 0.339 263 Y C 0.457 176.326 175.900 -0.052 0.000 0.987 263 Y CA -0.413 57.657 58.100 -0.050 0.000 1.140 263 Y CB 1.413 39.819 38.460 -0.090 0.000 1.173 263 Y HN 0.432 nan 8.280 nan 0.000 0.486 264 E N 3.232 123.491 120.200 0.099 0.000 2.265 264 E HA 0.376 4.725 4.350 -0.000 0.000 0.272 264 E C -0.595 176.089 176.600 0.140 0.000 1.067 264 E CA -0.291 56.153 56.400 0.073 0.000 0.900 264 E CB 0.565 30.289 29.700 0.041 0.000 1.017 264 E HN 0.462 nan 8.360 nan 0.000 0.431 265 V N -0.165 119.790 119.914 0.069 0.000 3.181 265 V HA 0.656 4.776 4.120 -0.000 0.000 0.308 265 V C -0.800 175.292 176.094 -0.003 0.000 1.214 265 V CA -1.042 61.228 62.300 -0.050 0.000 1.053 265 V CB 2.128 33.825 31.823 -0.209 0.000 1.069 265 V HN 0.266 nan 8.190 nan 0.000 0.441 266 V N 3.181 123.061 119.914 -0.056 0.000 2.409 266 V HA 0.588 4.708 4.120 -0.000 0.000 0.291 266 V C -0.828 175.238 176.094 -0.047 0.000 1.020 266 V CA -0.308 61.989 62.300 -0.006 0.000 0.848 266 V CB 1.310 33.168 31.823 0.058 0.000 0.990 266 V HN 0.696 nan 8.190 nan 0.000 0.430 267 I N 3.611 124.166 120.570 -0.024 0.000 2.418 267 I HA 0.444 4.614 4.170 -0.000 0.000 0.287 267 I C 0.240 176.360 176.117 0.005 0.000 1.008 267 I CA -0.548 60.741 61.300 -0.018 0.000 1.104 267 I CB 1.232 39.217 38.000 -0.026 0.000 1.264 267 I HN 0.606 nan 8.210 nan 0.000 0.438 268 D N 5.420 125.833 120.400 0.021 0.000 2.701 268 D HA -0.187 4.453 4.640 -0.000 0.000 0.235 268 D C 1.304 177.617 176.300 0.021 0.000 1.155 268 D CA 1.791 55.807 54.000 0.027 0.000 0.649 268 D CB -0.811 40.003 40.800 0.023 0.000 1.050 268 D HN 1.149 nan 8.370 nan 0.000 0.425 269 G N -0.612 108.202 108.800 0.024 0.000 2.157 269 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.248 269 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.248 269 G C -0.018 174.892 174.900 0.016 0.000 0.979 269 G CA 0.433 45.547 45.100 0.023 0.000 0.650 269 G HN 0.487 nan 8.290 nan 0.000 0.529 270 E N -0.041 120.166 120.200 0.011 0.000 2.212 270 E HA 0.721 5.071 4.350 -0.000 0.000 0.268 270 E C 0.346 176.949 176.600 0.005 0.000 0.902 270 E CA -0.155 56.249 56.400 0.006 0.000 0.779 270 E CB 1.814 31.515 29.700 0.001 0.000 1.172 270 E HN 0.718 nan 8.360 nan 0.000 0.409 271 A N 2.166 124.989 122.820 0.005 0.000 2.388 271 A HA 0.589 4.909 4.320 -0.000 0.000 0.257 271 A C 0.121 177.702 177.584 -0.004 0.000 1.095 271 A CA 0.130 52.170 52.037 0.006 0.000 0.791 271 A CB 0.825 19.828 19.000 0.004 0.000 1.029 271 A HN 0.505 nan 8.150 nan 0.000 0.489 272 T N 0.131 114.682 114.554 -0.006 0.000 2.693 272 T HA 0.492 4.842 4.350 -0.000 0.000 0.304 272 T C -1.758 172.932 174.700 -0.017 0.000 1.471 272 T CA -0.298 61.793 62.100 -0.015 0.000 0.993 272 T CB 0.898 69.755 68.868 -0.017 0.000 1.554 272 T HN 0.878 nan 8.240 nan 0.000 0.496 273 V N 2.779 122.678 119.914 -0.025 0.000 2.487 273 V HA 0.677 4.797 4.120 -0.000 0.000 0.298 273 V C -0.920 175.157 176.094 -0.027 0.000 1.028 273 V CA -0.732 61.551 62.300 -0.029 0.000 0.860 273 V CB 1.489 33.280 31.823 -0.055 0.000 0.991 273 V HN 0.713 nan 8.190 nan 0.000 0.427 274 I N 3.298 123.864 120.570 -0.006 0.000 2.689 274 I HA 0.844 5.014 4.170 -0.000 0.000 0.299 274 I C 0.608 176.731 176.117 0.011 0.000 1.059 274 I CA -0.146 61.145 61.300 -0.016 0.000 1.055 274 I CB 1.875 39.855 38.000 -0.033 0.000 1.243 274 I HN 0.712 nan 8.210 nan 0.000 0.425 275 G N 1.971 110.729 108.800 -0.071 0.000 3.257 275 G HA2 0.812 4.771 3.960 -0.000 0.000 0.205 275 G HA3 0.812 4.771 3.960 -0.000 0.000 0.205 275 G C -0.380 174.393 174.900 -0.211 0.000 1.234 275 G CA -0.466 44.545 45.100 -0.148 0.000 0.918 275 G HN 1.156 nan 8.290 nan 0.000 0.602 276 G N -2.489 106.044 108.800 -0.444 0.000 2.570 276 G HA2 0.301 4.261 3.960 -0.000 0.000 0.686 276 G HA3 0.301 4.261 3.960 -0.000 0.000 0.686 276 G C 0.773 175.581 174.900 -0.153 0.000 1.257 276 G CA 0.628 45.543 45.100 -0.308 0.000 0.846 276 G HN 1.715 nan 8.290 nan 0.000 0.627 277 T N -1.681 112.913 114.554 0.066 0.000 3.007 277 T HA 0.022 4.372 4.350 -0.000 0.000 0.270 277 T C 2.396 177.093 174.700 -0.006 0.000 1.107 277 T CA 2.096 64.242 62.100 0.076 0.000 1.118 277 T CB -0.120 68.855 68.868 0.179 0.000 0.889 277 T HN 0.894 nan 8.240 nan 0.000 0.506 278 S N 1.629 117.309 115.700 -0.034 0.000 2.420 278 S HA 0.027 4.497 4.470 -0.000 0.000 0.237 278 S C 2.340 176.860 174.600 -0.133 0.000 1.023 278 S CA 1.005 59.154 58.200 -0.084 0.000 0.991 278 S CB -0.525 62.597 63.200 -0.131 0.000 0.792 278 S HN 0.817 nan 8.310 nan 0.000 0.488 279 A N 0.202 122.912 122.820 -0.183 0.000 2.147 279 A HA 0.225 4.545 4.320 -0.000 0.000 0.211 279 A C 2.062 179.441 177.584 -0.343 0.000 1.160 279 A CA 0.306 52.144 52.037 -0.332 0.000 0.781 279 A CB -0.142 18.568 19.000 -0.484 0.000 0.842 279 A HN 0.346 nan 8.150 nan 0.000 0.475 280 V N -0.195 119.575 119.914 -0.241 0.000 2.488 280 V HA -0.134 3.986 4.120 -0.000 0.000 0.246 280 V C 2.983 178.894 176.094 -0.305 0.000 1.046 280 V CA 1.598 63.690 62.300 -0.347 0.000 1.053 280 V CB -1.055 30.619 31.823 -0.250 0.000 0.679 280 V HN 0.541 nan 8.190 nan 0.000 0.458 281 A N 0.863 123.617 122.820 -0.111 0.000 1.883 281 A HA -0.122 4.197 4.320 -0.000 0.000 0.217 281 A C 0.555 178.145 177.584 0.010 0.000 1.186 281 A CA 2.108 54.146 52.037 0.001 0.000 0.624 281 A CB -1.923 17.102 19.000 0.041 0.000 0.822 281 A HN 0.521 nan 8.150 nan 0.000 0.444 282 P HA -0.165 nan 4.420 nan 0.000 0.215 282 P C 1.737 179.052 177.300 0.024 0.000 1.157 282 P CA 1.094 64.199 63.100 0.008 0.000 0.868 282 P CB -0.145 31.513 31.700 -0.070 0.000 0.788 283 L N -1.303 119.858 121.223 -0.103 0.000 1.978 283 L HA -0.203 4.137 4.340 -0.000 0.000 0.218 283 L C 2.118 179.143 176.870 0.259 0.000 1.075 283 L CA 2.196 57.013 54.840 -0.038 0.000 0.767 283 L CB -1.424 40.465 42.059 -0.283 0.000 0.890 283 L HN -0.147 nan 8.230 nan 0.000 0.434 284 F N -0.095 119.980 119.950 0.209 0.000 2.407 284 F HA 0.086 4.613 4.527 -0.000 0.000 0.299 284 F C 2.501 178.367 175.800 0.109 0.000 1.097 284 F CA 0.433 58.539 58.000 0.177 0.000 1.422 284 F CB -1.697 37.363 39.000 0.099 0.000 1.067 284 F HN 0.221 nan 8.300 nan 0.000 0.539 285 A N 0.256 123.235 122.820 0.265 0.000 1.940 285 A HA -0.079 4.240 4.320 -0.000 0.000 0.219 285 A C 2.508 180.194 177.584 0.170 0.000 1.176 285 A CA 1.822 53.966 52.037 0.178 0.000 0.631 285 A CB -1.121 17.971 19.000 0.154 0.000 0.814 285 A HN 0.278 nan 8.150 nan 0.000 0.446 286 A N -0.503 122.465 122.820 0.247 0.000 1.898 286 A HA 0.002 4.322 4.320 -0.000 0.000 0.216 286 A C 2.097 179.792 177.584 0.185 0.000 1.181 286 A CA 1.671 53.873 52.037 0.274 0.000 0.620 286 A CB -0.613 18.625 19.000 0.395 0.000 0.819 286 A HN 0.693 nan 8.150 nan 0.000 0.442 287 L N 0.208 121.499 121.223 0.113 0.000 2.012 287 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 287 L C 2.389 179.158 176.870 -0.169 0.000 1.073 287 L CA 2.150 56.781 54.840 -0.348 0.000 0.748 287 L CB -0.797 40.945 42.059 -0.528 0.000 0.891 287 L HN 0.165 nan 8.230 nan 0.000 0.431 288 V N 0.128 120.012 119.914 -0.050 0.000 2.295 288 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 288 V C 2.837 178.908 176.094 -0.037 0.000 1.049 288 V CA 1.608 63.880 62.300 -0.046 0.000 1.024 288 V CB -1.459 30.358 31.823 -0.009 0.000 0.648 288 V HN 0.622 nan 8.190 nan 0.000 0.447 289 A N -0.243 122.569 122.820 -0.012 0.000 1.940 289 A HA -0.256 4.064 4.320 -0.000 0.000 0.219 289 A C 2.391 179.960 177.584 -0.024 0.000 1.176 289 A CA 1.961 53.983 52.037 -0.024 0.000 0.631 289 A CB -0.524 18.458 19.000 -0.030 0.000 0.814 289 A HN 0.496 nan 8.150 nan 0.000 0.446 290 R N -0.591 119.898 120.500 -0.018 0.000 2.080 290 R HA -0.088 4.251 4.340 -0.000 0.000 0.236 290 R C 2.087 178.360 176.300 -0.044 0.000 1.137 290 R CA 1.748 57.836 56.100 -0.020 0.000 0.943 290 R CB -0.524 29.760 30.300 -0.027 0.000 0.846 290 R HN 0.567 nan 8.270 nan 0.000 0.431 291 I N 1.362 121.887 120.570 -0.075 0.000 2.208 291 I HA -0.298 3.872 4.170 -0.000 0.000 0.245 291 I C 1.629 177.715 176.117 -0.052 0.000 1.097 291 I CA 1.235 62.491 61.300 -0.074 0.000 1.363 291 I CB -0.521 37.422 38.000 -0.095 0.000 1.051 291 I HN 0.216 nan 8.210 nan 0.000 0.413 292 N N 0.639 119.312 118.700 -0.045 0.000 2.223 292 N HA -0.222 4.518 4.740 -0.000 0.000 0.185 292 N C 1.740 177.233 175.510 -0.029 0.000 1.016 292 N CA 0.955 53.983 53.050 -0.036 0.000 0.863 292 N CB -0.306 38.161 38.487 -0.034 0.000 0.983 292 N HN 0.466 nan 8.380 nan 0.000 0.429 293 Q N 0.728 120.511 119.800 -0.027 0.000 2.020 293 Q HA -0.181 4.158 4.340 -0.000 0.000 0.202 293 Q C 1.744 177.733 176.000 -0.018 0.000 0.982 293 Q CA 1.513 57.304 55.803 -0.019 0.000 0.838 293 Q CB 0.013 28.744 28.738 -0.011 0.000 0.899 293 Q HN -0.069 nan 8.270 nan 0.000 0.423 294 K N 0.655 121.042 120.400 -0.022 0.000 2.000 294 K HA -0.167 4.153 4.320 -0.000 0.000 0.218 294 K C 1.900 178.486 176.600 -0.022 0.000 1.053 294 K CA 1.898 58.171 56.287 -0.022 0.000 0.946 294 K CB -0.711 31.770 32.500 -0.031 0.000 0.723 294 K HN 0.352 nan 8.250 nan 0.000 0.446 295 L N -0.863 120.344 121.223 -0.027 0.000 2.465 295 L HA 0.103 4.443 4.340 -0.000 0.000 0.224 295 L C 1.278 178.136 176.870 -0.021 0.000 1.145 295 L CA 0.511 55.336 54.840 -0.026 0.000 0.834 295 L CB -0.617 41.423 42.059 -0.031 0.000 0.944 295 L HN 0.533 nan 8.230 nan 0.000 0.451 296 G N 1.644 110.433 108.800 -0.019 0.000 2.283 296 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.280 296 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.280 296 G C 0.142 175.032 174.900 -0.015 0.000 1.029 296 G CA 0.871 45.961 45.100 -0.016 0.000 0.840 296 G HN 0.505 nan 8.290 nan 0.000 0.505 297 K N -1.582 118.807 120.400 -0.018 0.000 2.579 297 K HA 0.676 4.995 4.320 -0.000 0.000 0.257 297 K C -0.244 176.344 176.600 -0.019 0.000 0.950 297 K CA -0.164 56.114 56.287 -0.016 0.000 0.862 297 K CB 0.776 33.267 32.500 -0.014 0.000 1.317 297 K HN 1.251 nan 8.250 nan 0.000 0.436 298 A N 2.798 125.607 122.820 -0.018 0.000 2.540 298 A HA 0.252 4.572 4.320 -0.000 0.000 0.239 298 A C 1.490 179.063 177.584 -0.018 0.000 1.061 298 A CA 0.194 52.219 52.037 -0.020 0.000 0.758 298 A CB 0.068 19.058 19.000 -0.017 0.000 0.991 298 A HN 0.985 nan 8.150 nan 0.000 0.502 299 V N 1.964 121.863 119.914 -0.024 0.000 2.626 299 V HA 0.278 4.398 4.120 -0.000 0.000 0.252 299 V C 1.750 177.838 176.094 -0.010 0.000 1.067 299 V CA 1.266 63.549 62.300 -0.027 0.000 1.081 299 V CB -2.353 29.443 31.823 -0.044 0.000 0.686 299 V HN 2.466 nan 8.190 nan 0.000 0.468 300 G N -0.118 108.684 108.800 0.003 0.000 2.550 300 G HA2 -0.383 3.576 3.960 -0.000 0.000 0.277 300 G HA3 -0.383 3.576 3.960 -0.000 0.000 0.277 300 G C -0.233 174.716 174.900 0.082 0.000 1.190 300 G CA 0.561 45.683 45.100 0.036 0.000 0.971 300 G HN 1.027 nan 8.290 nan 0.000 0.559 301 Y N 1.854 122.125 120.300 -0.048 0.000 2.480 301 Y HA 0.560 5.110 4.550 -0.000 0.000 0.341 301 Y C 1.482 177.315 175.900 -0.110 0.000 1.031 301 Y CA -0.072 57.989 58.100 -0.065 0.000 1.295 301 Y CB 0.316 38.758 38.460 -0.031 0.000 1.162 301 Y HN 0.444 nan 8.280 nan 0.000 0.523 302 L N 4.249 125.297 121.223 -0.292 0.000 2.408 302 L HA -0.034 4.306 4.340 -0.000 0.000 0.215 302 L C 1.620 178.157 176.870 -0.555 0.000 1.081 302 L CA 0.157 54.789 54.840 -0.347 0.000 0.840 302 L CB -0.102 41.848 42.059 -0.180 0.000 1.002 302 L HN 0.528 nan 8.230 nan 0.000 0.468 303 N N 0.691 118.886 118.700 -0.843 0.000 2.037 303 N HA -0.191 4.549 4.740 -0.000 0.000 0.196 303 N C -0.942 174.001 175.510 -0.946 0.000 1.034 303 N CA 1.753 54.264 53.050 -0.898 0.000 0.861 303 N CB -1.646 36.023 38.487 -1.362 0.000 1.039 303 N HN 0.166 nan 8.380 nan 0.000 0.427 304 P HA -0.079 nan 4.420 nan 0.000 0.215 304 P C 1.347 178.508 177.300 -0.232 0.000 1.157 304 P CA 1.688 64.351 63.100 -0.729 0.000 0.874 304 P CB -0.159 31.172 31.700 -0.616 0.000 0.790 305 T N -0.013 114.388 114.554 -0.255 0.000 2.652 305 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 305 T C 1.764 176.448 174.700 -0.027 0.000 1.039 305 T CA 1.173 63.205 62.100 -0.114 0.000 1.153 305 T CB -1.116 67.669 68.868 -0.138 0.000 0.863 305 T HN 0.039 nan 8.240 nan 0.000 0.428 306 L N -0.525 120.669 121.223 -0.049 0.000 2.051 306 L HA -0.195 4.144 4.340 -0.000 0.000 0.214 306 L C 2.239 179.117 176.870 0.014 0.000 1.076 306 L CA 1.755 56.605 54.840 0.015 0.000 0.758 306 L CB -0.550 41.447 42.059 -0.103 0.000 0.890 306 L HN 0.357 nan 8.230 nan 0.000 0.433 307 Y N -0.365 119.925 120.300 -0.016 0.000 2.511 307 Y HA -0.106 4.444 4.550 -0.000 0.000 0.279 307 Y C 2.496 178.442 175.900 0.078 0.000 1.157 307 Y CA 0.507 58.646 58.100 0.064 0.000 1.300 307 Y CB -0.021 38.533 38.460 0.157 0.000 1.052 307 Y HN 0.379 nan 8.280 nan 0.000 0.529 308 Q N -0.799 119.098 119.800 0.161 0.000 2.317 308 Q HA 0.142 4.482 4.340 -0.000 0.000 0.220 308 Q C 0.234 176.272 176.000 0.063 0.000 0.873 308 Q CA 0.122 55.983 55.803 0.097 0.000 0.936 308 Q CB 0.152 28.929 28.738 0.065 0.000 1.105 308 Q HN 0.323 nan 8.270 nan 0.000 0.520 309 L N 2.843 124.114 121.223 0.081 0.000 2.473 309 L HA 0.267 4.607 4.340 -0.000 0.000 0.268 309 L C -2.000 174.905 176.870 0.059 0.000 1.215 309 L CA -1.812 53.056 54.840 0.046 0.000 0.823 309 L CB 0.084 42.162 42.059 0.032 0.000 1.099 309 L HN 0.063 nan 8.230 nan 0.000 0.483 310 P HA 0.107 nan 4.420 nan 0.000 0.276 310 P C 0.013 177.307 177.300 -0.011 0.000 1.230 310 P CA -0.307 62.784 63.100 -0.016 0.000 0.776 310 P CB 1.051 32.718 31.700 -0.054 0.000 0.888 311 A N 3.235 126.087 122.820 0.053 0.000 2.093 311 A HA -0.233 4.087 4.320 -0.000 0.000 0.222 311 A C 1.472 179.089 177.584 0.054 0.000 1.162 311 A CA 2.127 54.229 52.037 0.108 0.000 0.655 311 A CB -1.105 17.936 19.000 0.069 0.000 0.805 311 A HN 0.660 nan 8.150 nan 0.000 0.461 312 D N -1.069 119.310 120.400 -0.035 0.000 2.349 312 D HA 0.033 4.673 4.640 -0.000 0.000 0.215 312 D C 1.234 177.441 176.300 -0.155 0.000 1.016 312 D CA 0.656 54.622 54.000 -0.057 0.000 0.870 312 D CB -0.697 40.076 40.800 -0.045 0.000 0.917 312 D HN 0.185 nan 8.370 nan 0.000 0.524 313 V N -0.379 119.333 119.914 -0.337 0.000 2.913 313 V HA -0.025 4.095 4.120 -0.000 0.000 0.260 313 V C 0.149 175.733 176.094 -0.850 0.000 1.098 313 V CA 0.941 62.851 62.300 -0.650 0.000 1.121 313 V CB -0.808 30.466 31.823 -0.915 0.000 0.714 313 V HN 0.053 nan 8.190 nan 0.000 0.487 314 F N -1.621 118.290 119.950 -0.066 0.000 2.546 314 F HA 0.456 4.983 4.527 -0.000 0.000 0.320 314 F C 0.325 176.113 175.800 -0.019 0.000 1.076 314 F CA -1.284 56.675 58.000 -0.068 0.000 0.928 314 F CB 0.643 39.573 39.000 -0.116 0.000 1.189 314 F HN -0.126 nan 8.300 nan 0.000 0.465 315 H N 2.418 121.552 119.070 0.108 0.000 2.819 315 H HA 0.046 4.602 4.556 -0.000 0.000 0.303 315 H C -1.058 174.308 175.328 0.064 0.000 1.058 315 H CA -0.136 55.955 56.048 0.071 0.000 1.471 315 H CB 0.743 30.546 29.762 0.069 0.000 1.480 315 H HN 0.600 nan 8.280 nan 0.000 0.517 316 D N 5.699 125.849 120.400 -0.415 0.000 2.316 316 D HA 0.123 4.763 4.640 -0.000 0.000 0.245 316 D C -0.322 175.799 176.300 -0.299 0.000 1.171 316 D CA -0.509 53.334 54.000 -0.261 0.000 0.856 316 D CB 0.286 40.994 40.800 -0.154 0.000 1.090 316 D HN 0.396 nan 8.370 nan 0.000 0.476 317 I N 3.003 123.489 120.570 -0.141 0.000 2.441 317 I HA 0.140 4.310 4.170 -0.000 0.000 0.287 317 I C 1.702 177.780 176.117 -0.065 0.000 1.049 317 I CA 0.217 61.480 61.300 -0.062 0.000 1.381 317 I CB 1.590 39.598 38.000 0.012 0.000 1.409 317 I HN 0.509 nan 8.210 nan 0.000 0.523 318 T N 0.698 115.230 114.554 -0.037 0.000 3.004 318 T HA 0.373 4.723 4.350 -0.000 0.000 0.266 318 T C 0.249 174.945 174.700 -0.006 0.000 0.986 318 T CA -0.321 61.762 62.100 -0.029 0.000 0.902 318 T CB -0.130 68.721 68.868 -0.029 0.000 1.118 318 T HN 0.525 nan 8.240 nan 0.000 0.522 319 E N 0.729 120.935 120.200 0.011 0.000 2.288 319 E HA 0.652 5.002 4.350 -0.000 0.000 0.268 319 E C 0.129 176.745 176.600 0.027 0.000 0.885 319 E CA -1.041 55.370 56.400 0.020 0.000 0.767 319 E CB 1.961 31.678 29.700 0.029 0.000 1.220 319 E HN 0.439 nan 8.360 nan 0.000 0.427 320 G N 1.702 110.515 108.800 0.022 0.000 2.631 320 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.504 320 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.504 320 G C -1.166 173.740 174.900 0.010 0.000 1.306 320 G CA -0.406 44.707 45.100 0.022 0.000 0.897 320 G HN 0.909 nan 8.290 nan 0.000 0.520 321 N N -1.417 117.287 118.700 0.006 0.000 2.455 321 N HA 0.638 5.378 4.740 -0.000 0.000 0.278 321 N C 0.107 175.612 175.510 -0.009 0.000 1.291 321 N CA -0.308 52.743 53.050 0.001 0.000 0.780 321 N CB 1.415 39.898 38.487 -0.008 0.000 1.520 321 N HN 0.808 nan 8.380 nan 0.000 0.486 322 N N -0.723 117.980 118.700 0.004 0.000 2.389 322 N HA 0.096 4.836 4.740 -0.000 0.000 0.260 322 N C -1.176 174.332 175.510 -0.003 0.000 1.191 322 N CA -0.217 52.821 53.050 -0.019 0.000 0.885 322 N CB -0.026 38.465 38.487 0.007 0.000 1.162 322 N HN 0.601 nan 8.380 nan 0.000 0.512 323 D N 1.290 121.688 120.400 -0.003 0.000 2.277 323 D HA 0.151 4.791 4.640 -0.000 0.000 0.249 323 D C 0.938 177.234 176.300 -0.006 0.000 1.134 323 D CA -0.406 53.609 54.000 0.024 0.000 0.863 323 D CB 1.031 41.843 40.800 0.020 0.000 1.143 323 D HN 0.408 nan 8.370 nan 0.000 0.458 324 I N 0.788 121.356 120.570 -0.003 0.000 4.219 324 I HA 0.395 4.565 4.170 -0.000 0.000 0.329 324 I C 0.341 176.453 176.117 -0.009 0.000 1.427 324 I CA -0.323 60.962 61.300 -0.025 0.000 1.151 324 I CB 0.698 38.660 38.000 -0.064 0.000 1.369 324 I HN 0.239 nan 8.210 nan 0.000 0.521 325 A N 1.550 124.375 122.820 0.008 0.000 2.192 325 A HA 0.358 4.678 4.320 -0.000 0.000 0.208 325 A C 0.724 178.302 177.584 -0.009 0.000 1.220 325 A CA 0.435 52.466 52.037 -0.010 0.000 0.900 325 A CB 0.048 19.025 19.000 -0.039 0.000 0.937 325 A HN 0.700 nan 8.150 nan 0.000 0.487 326 N N -1.869 116.838 118.700 0.011 0.000 3.522 326 N HA 0.263 5.003 4.740 -0.000 0.000 0.328 326 N C -0.785 174.733 175.510 0.013 0.000 1.623 326 N CA -0.853 52.202 53.050 0.008 0.000 0.812 326 N CB 0.359 38.850 38.487 0.006 0.000 2.008 326 N HN -0.054 nan 8.380 nan 0.000 0.601 327 R N -0.486 120.020 120.500 0.011 0.000 2.515 327 R HA 0.288 4.628 4.340 -0.000 0.000 0.294 327 R C 0.821 177.124 176.300 0.005 0.000 1.021 327 R CA -0.002 56.102 56.100 0.006 0.000 1.081 327 R CB 0.345 30.646 30.300 0.003 0.000 1.263 327 R HN 0.604 nan 8.270 nan 0.000 0.557 328 A N 1.112 123.939 122.820 0.012 0.000 2.168 328 A HA -0.118 4.201 4.320 -0.000 0.000 0.215 328 A C 0.751 178.312 177.584 -0.039 0.000 1.152 328 A CA 0.360 52.394 52.037 -0.006 0.000 0.716 328 A CB -0.050 18.961 19.000 0.018 0.000 0.794 328 A HN 0.470 nan 8.150 nan 0.000 0.465 329 Q N -1.276 118.505 119.800 -0.032 0.000 2.468 329 Q HA -0.158 4.181 4.340 -0.000 0.000 0.289 329 Q C -0.794 175.141 176.000 -0.108 0.000 1.299 329 Q CA 0.698 56.474 55.803 -0.046 0.000 0.838 329 Q CB -1.691 27.029 28.738 -0.030 0.000 1.195 329 Q HN 0.715 nan 8.270 nan 0.000 0.456 330 I N 1.306 121.760 120.570 -0.194 0.000 2.330 330 I HA 0.300 4.470 4.170 -0.000 0.000 0.289 330 I C 0.073 175.899 176.117 -0.484 0.000 1.001 330 I CA -0.620 60.369 61.300 -0.519 0.000 1.193 330 I CB 0.439 37.862 38.000 -0.961 0.000 1.345 330 I HN 0.024 nan 8.210 nan 0.000 0.461 331 Y N 4.442 124.654 120.300 -0.145 0.000 2.403 331 Y HA 0.404 4.954 4.550 -0.000 0.000 0.323 331 Y C 0.388 176.235 175.900 -0.087 0.000 1.226 331 Y CA -0.543 57.479 58.100 -0.130 0.000 1.235 331 Y CB 1.029 39.421 38.460 -0.113 0.000 1.248 331 Y HN 0.457 nan 8.280 nan 0.000 0.489 332 Q N 0.909 120.765 119.800 0.093 0.000 2.274 332 Q HA 0.685 5.025 4.340 -0.000 0.000 0.260 332 Q C -0.750 175.256 176.000 0.010 0.000 0.974 332 Q CA -1.095 54.727 55.803 0.032 0.000 0.876 332 Q CB 1.996 30.743 28.738 0.016 0.000 1.297 332 Q HN 0.813 nan 8.270 nan 0.000 0.446 333 A N 1.124 123.935 122.820 -0.014 0.000 2.386 333 A HA 0.764 5.084 4.320 -0.000 0.000 0.248 333 A C 0.193 177.761 177.584 -0.027 0.000 1.082 333 A CA 0.617 52.627 52.037 -0.044 0.000 0.789 333 A CB 0.496 19.475 19.000 -0.034 0.000 1.025 333 A HN 0.805 nan 8.150 nan 0.000 0.490 334 G N -0.237 108.540 108.800 -0.038 0.000 2.634 334 G HA2 0.611 4.571 3.960 -0.000 0.000 0.309 334 G HA3 0.611 4.571 3.960 -0.000 0.000 0.309 334 G C -3.473 171.417 174.900 -0.015 0.000 1.299 334 G CA -0.822 44.271 45.100 -0.011 0.000 0.798 334 G HN 0.511 nan 8.290 nan 0.000 0.490 335 P HA 0.456 nan 4.420 nan 0.000 0.275 335 P C 0.819 178.136 177.300 0.028 0.000 1.227 335 P CA 1.448 64.551 63.100 0.005 0.000 0.781 335 P CB 1.128 32.837 31.700 0.015 0.000 0.906 336 G N 1.770 110.584 108.800 0.022 0.000 2.601 336 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.261 336 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.261 336 G C -0.805 174.136 174.900 0.069 0.000 1.289 336 G CA -0.320 44.815 45.100 0.059 0.000 0.920 336 G HN 0.637 nan 8.290 nan 0.000 0.571 337 W N 2.502 123.774 121.300 -0.047 0.000 2.257 337 W HA 0.439 5.099 4.660 -0.000 0.000 0.337 337 W C 0.617 177.123 176.519 -0.021 0.000 1.321 337 W CA 0.958 58.275 57.345 -0.046 0.000 1.267 337 W CB 0.230 29.700 29.460 0.017 0.000 1.187 337 W HN 0.912 nan 8.180 nan 0.000 0.565 338 D N 4.167 124.131 120.400 -0.726 0.000 2.552 338 D HA 0.399 5.038 4.640 -0.000 0.000 0.239 338 D C -2.601 172.753 176.300 -1.576 0.000 1.139 338 D CA -1.972 51.601 54.000 -0.712 0.000 0.914 338 D CB 1.768 42.389 40.800 -0.299 0.000 1.461 338 D HN 0.047 nan 8.370 nan 0.000 0.462 339 P HA 0.249 nan 4.420 nan 0.000 0.249 339 P C -0.097 176.976 177.300 -0.378 0.000 1.544 339 P CA -0.025 62.653 63.100 -0.703 0.000 0.932 339 P CB -0.109 31.265 31.700 -0.543 0.000 1.524 340 C N -2.189 116.898 119.300 -0.356 0.000 2.553 340 C HA 0.136 4.596 4.460 -0.000 0.000 0.447 340 C C 1.850 176.741 174.990 -0.165 0.000 1.351 340 C CA 1.104 60.024 59.018 -0.163 0.000 2.354 340 C CB -0.480 27.211 27.740 -0.083 0.000 2.905 340 C HN 0.297 nan 8.230 nan 0.000 0.554 341 T N -2.419 111.968 114.554 -0.278 0.000 3.144 341 T HA 0.486 4.836 4.350 -0.000 0.000 0.290 341 T C 1.038 175.542 174.700 -0.326 0.000 0.966 341 T CA 1.070 63.050 62.100 -0.201 0.000 0.907 341 T CB 0.200 68.997 68.868 -0.119 0.000 1.152 341 T HN 0.917 nan 8.240 nan 0.000 0.532 342 G N 2.736 111.141 108.800 -0.659 0.000 2.596 342 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.295 342 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.295 342 G C 0.656 175.212 174.900 -0.573 0.000 1.240 342 G CA 0.233 44.828 45.100 -0.843 0.000 0.985 342 G HN 0.522 nan 8.290 nan 0.000 0.555 343 L N 2.217 123.211 121.223 -0.381 0.000 2.353 343 L HA 0.323 4.663 4.340 -0.000 0.000 0.220 343 L C 2.016 178.663 176.870 -0.372 0.000 1.133 343 L CA 1.484 56.039 54.840 -0.475 0.000 0.798 343 L CB -1.210 40.201 42.059 -1.080 0.000 0.922 343 L HN 1.994 nan 8.230 nan 0.000 0.445 344 G N -0.634 107.992 108.800 -0.289 0.000 2.416 344 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.203 344 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.203 344 G C -0.461 174.384 174.900 -0.090 0.000 1.227 344 G CA -0.274 44.747 45.100 -0.131 0.000 1.041 344 G HN 0.263 nan 8.290 nan 0.000 0.546 345 S N 1.720 117.417 115.700 -0.005 0.000 2.499 345 S HA 0.742 5.212 4.470 -0.000 0.000 0.279 345 S C -2.192 172.365 174.600 -0.071 0.000 1.219 345 S CA -0.697 57.414 58.200 -0.148 0.000 1.062 345 S CB 2.210 65.176 63.200 -0.389 0.000 0.978 345 S HN 0.745 nan 8.310 nan 0.000 0.489 346 P HA 0.280 nan 4.420 nan 0.000 0.275 346 P C -0.659 176.620 177.300 -0.035 0.000 1.228 346 P CA -0.459 62.640 63.100 -0.002 0.000 0.786 346 P CB 0.506 32.094 31.700 -0.187 0.000 0.927 347 I N 2.494 123.025 120.570 -0.064 0.000 2.287 347 I HA 0.117 4.287 4.170 -0.000 0.000 0.290 347 I C 1.982 178.066 176.117 -0.056 0.000 1.069 347 I CA -0.310 60.982 61.300 -0.013 0.000 1.237 347 I CB 0.538 38.518 38.000 -0.033 0.000 1.418 347 I HN 0.493 nan 8.210 nan 0.000 0.481 348 G N 5.616 114.423 108.800 0.012 0.000 2.766 348 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.222 348 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.222 348 G C 1.540 176.388 174.900 -0.087 0.000 1.225 348 G CA 1.916 46.976 45.100 -0.066 0.000 0.784 348 G HN 0.573 nan 8.290 nan 0.000 0.631 349 V N -1.073 118.819 119.914 -0.037 0.000 2.343 349 V HA -0.139 3.981 4.120 -0.000 0.000 0.247 349 V C 2.671 178.718 176.094 -0.079 0.000 1.051 349 V CA 2.364 64.637 62.300 -0.045 0.000 1.036 349 V CB -0.779 31.036 31.823 -0.013 0.000 0.654 349 V HN 0.372 nan 8.190 nan 0.000 0.451 350 R N 0.066 120.507 120.500 -0.098 0.000 2.081 350 R HA -0.066 4.274 4.340 -0.000 0.000 0.235 350 R C 2.351 178.536 176.300 -0.192 0.000 1.131 350 R CA 1.867 57.882 56.100 -0.142 0.000 0.960 350 R CB -0.668 29.529 30.300 -0.172 0.000 0.856 350 R HN 0.559 nan 8.270 nan 0.000 0.436 351 L N 0.986 122.078 121.223 -0.218 0.000 2.056 351 L HA -0.102 4.238 4.340 -0.000 0.000 0.207 351 L C 2.071 178.846 176.870 -0.157 0.000 1.078 351 L CA 1.359 56.062 54.840 -0.229 0.000 0.749 351 L CB -0.456 41.466 42.059 -0.230 0.000 0.901 351 L HN 0.081 nan 8.230 nan 0.000 0.433 352 L N -0.373 120.770 121.223 -0.133 0.000 2.191 352 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 352 L C 2.412 179.230 176.870 -0.086 0.000 1.103 352 L CA 2.033 56.812 54.840 -0.102 0.000 0.769 352 L CB -0.762 41.245 42.059 -0.086 0.000 0.908 352 L HN 0.613 nan 8.230 nan 0.000 0.438 353 Q N -0.721 119.024 119.800 -0.092 0.000 2.096 353 Q HA -0.040 4.300 4.340 -0.000 0.000 0.197 353 Q C 2.133 178.085 176.000 -0.079 0.000 0.964 353 Q CA 1.403 57.160 55.803 -0.077 0.000 0.838 353 Q CB -0.199 28.495 28.738 -0.075 0.000 0.906 353 Q HN 0.542 nan 8.270 nan 0.000 0.444 354 A N 0.311 123.070 122.820 -0.101 0.000 2.070 354 A HA -0.057 4.262 4.320 -0.000 0.000 0.220 354 A C 1.743 179.281 177.584 -0.077 0.000 1.159 354 A CA 0.911 52.891 52.037 -0.095 0.000 0.656 354 A CB -0.387 18.538 19.000 -0.125 0.000 0.800 354 A HN 0.473 nan 8.150 nan 0.000 0.453 355 L N -1.593 119.583 121.223 -0.077 0.000 2.585 355 L HA 0.380 4.720 4.340 -0.000 0.000 0.226 355 L C 0.591 177.430 176.870 -0.053 0.000 1.113 355 L CA 0.534 55.335 54.840 -0.066 0.000 0.876 355 L CB -0.194 41.821 42.059 -0.073 0.000 1.072 355 L HN 0.468 nan 8.230 nan 0.000 0.468 356 L N 0.000 121.193 121.223 -0.050 0.000 2.949 356 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 356 L CA 0.000 nan 54.840 nan 0.000 0.813 356 L CB 0.000 nan 42.059 nan 0.000 0.961 356 L HN 0.000 nan 8.230 nan 0.000 0.502