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 1zvk_1_B DATA FIRST_RESID 4 DATA SEQUENCE TAYTPLDVAQ AYQFPEGLDG QGQCIAIIEL GGGYDEASLA QYFASLGVPA DATA SEQUENCE PQVVSVSVDG ASNQPTGDPS GPDGHVELDI EVAGALAPGA KFAVYFAPNT DATA SEQUENCE DAGFLDAITT AIHDPTLKPS VVSISWGGPE DSWTSAAIAA MNRAFLDAAA DATA SEQUENCE LGVTVLAAAG NSGSTDGEQD 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 ALLPS 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 0.000 174.507 174.700 -0.322 0.000 1.109 4 T CA 0.000 61.958 62.100 -0.236 0.000 1.349 4 T CB 0.000 68.693 68.868 -0.292 0.000 0.612 5 A N -0.088 122.438 122.820 -0.490 0.000 2.569 5 A HA 0.724 5.043 4.320 -0.001 0.000 0.292 5 A C -2.506 174.724 177.584 -0.591 0.000 1.032 5 A CA -1.046 50.691 52.037 -0.499 0.000 0.669 5 A CB 0.690 19.554 19.000 -0.228 0.000 1.290 5 A HN 0.831 nan 8.150 nan 0.000 0.422 6 Y N -0.251 119.943 120.300 -0.177 0.000 2.602 6 Y HA 0.718 5.268 4.550 -0.001 0.000 0.342 6 Y C 1.099 176.939 175.900 -0.100 0.000 1.029 6 Y CA -0.110 57.886 58.100 -0.173 0.000 1.080 6 Y CB 1.757 40.048 38.460 -0.282 0.000 1.284 6 Y HN 0.872 nan 8.280 nan 0.000 0.485 7 T N -2.251 112.375 114.554 0.121 0.000 2.899 7 T HA 0.269 4.619 4.350 -0.001 0.000 0.284 7 T C -2.227 172.540 174.700 0.113 0.000 1.004 7 T CA -2.021 60.146 62.100 0.111 0.000 1.043 7 T CB 1.500 70.392 68.868 0.039 0.000 1.013 7 T HN 0.303 nan 8.240 nan 0.000 0.518 8 P HA -0.083 nan 4.420 nan 0.000 0.217 8 P C 1.428 178.726 177.300 -0.003 0.000 1.148 8 P CA 0.669 63.879 63.100 0.183 0.000 0.828 8 P CB -0.097 31.729 31.700 0.211 0.000 0.783 9 L N -0.313 120.897 121.223 -0.023 0.000 2.017 9 L HA -0.197 4.143 4.340 -0.001 0.000 0.208 9 L C 1.958 178.737 176.870 -0.152 0.000 1.073 9 L CA 1.913 56.702 54.840 -0.085 0.000 0.745 9 L CB -1.428 40.602 42.059 -0.049 0.000 0.894 9 L HN -0.018 nan 8.230 nan 0.000 0.432 10 D N -0.777 119.542 120.400 -0.134 0.000 2.149 10 D HA -0.148 4.491 4.640 -0.001 0.000 0.198 10 D C 2.349 178.408 176.300 -0.401 0.000 0.990 10 D CA 1.261 55.138 54.000 -0.206 0.000 0.839 10 D CB -0.148 40.583 40.800 -0.116 0.000 0.948 10 D HN 0.188 nan 8.370 nan 0.000 0.460 11 V N 1.469 121.129 119.914 -0.423 0.000 2.323 11 V HA -0.152 3.967 4.120 -0.001 0.000 0.244 11 V C 2.598 178.376 176.094 -0.527 0.000 1.041 11 V CA 1.544 63.504 62.300 -0.566 0.000 1.025 11 V CB -0.730 30.857 31.823 -0.394 0.000 0.656 11 V HN 0.160 nan 8.190 nan 0.000 0.451 12 A N -0.580 121.919 122.820 -0.534 0.000 1.940 12 A HA -0.315 4.004 4.320 -0.001 0.000 0.219 12 A C 2.163 179.476 177.584 -0.452 0.000 1.176 12 A CA 2.112 53.580 52.037 -0.948 0.000 0.631 12 A CB -0.503 17.854 19.000 -1.070 0.000 0.814 12 A HN 0.651 nan 8.150 nan 0.000 0.446 13 Q N -0.741 118.881 119.800 -0.298 0.000 2.084 13 Q HA -0.125 4.214 4.340 -0.001 0.000 0.202 13 Q C 2.443 178.348 176.000 -0.158 0.000 0.978 13 Q CA 1.412 57.117 55.803 -0.164 0.000 0.844 13 Q CB -0.421 28.228 28.738 -0.149 0.000 0.898 13 Q HN 0.693 nan 8.270 nan 0.000 0.426 14 A N 0.321 122.957 122.820 -0.306 0.000 1.978 14 A HA -0.168 4.151 4.320 -0.001 0.000 0.220 14 A C 1.081 178.562 177.584 -0.172 0.000 1.170 14 A CA 1.195 53.028 52.037 -0.339 0.000 0.636 14 A CB -0.469 18.169 19.000 -0.604 0.000 0.810 14 A HN 0.377 nan 8.150 nan 0.000 0.448 15 Y N 0.342 120.642 120.300 0.001 0.000 2.495 15 Y HA 0.233 4.783 4.550 -0.001 0.000 0.293 15 Y C 0.431 176.473 175.900 0.236 0.000 1.186 15 Y CA -0.372 57.824 58.100 0.160 0.000 1.266 15 Y CB -1.126 37.548 38.460 0.358 0.000 1.101 15 Y HN 0.529 nan 8.280 nan 0.000 0.517 16 Q N -0.552 119.399 119.800 0.252 0.000 2.417 16 Q HA -0.236 4.104 4.340 -0.001 0.000 0.350 16 Q C -0.855 175.331 176.000 0.310 0.000 1.364 16 Q CA 0.156 56.078 55.803 0.198 0.000 1.024 16 Q CB -1.925 26.879 28.738 0.111 0.000 1.235 16 Q HN 0.202 nan 8.270 nan 0.000 0.388 17 F N 1.770 121.764 119.950 0.073 0.000 2.563 17 F HA 0.116 4.643 4.527 -0.002 0.000 0.363 17 F C -1.243 174.575 175.800 0.030 0.000 1.123 17 F CA -2.132 55.906 58.000 0.064 0.000 1.307 17 F CB -0.187 38.866 39.000 0.089 0.000 1.115 17 F HN 0.128 nan 8.300 nan 0.000 0.592 18 P HA 0.061 nan 4.420 nan 0.000 0.271 18 P C -0.458 176.895 177.300 0.088 0.000 1.233 18 P CA -0.042 63.101 63.100 0.072 0.000 0.764 18 P CB 0.531 32.236 31.700 0.010 0.000 0.825 19 E N 1.479 121.720 120.200 0.068 0.000 2.369 19 E HA 0.327 4.676 4.350 -0.001 0.000 0.255 19 E C 1.132 177.756 176.600 0.040 0.000 1.172 19 E CA -0.182 56.254 56.400 0.059 0.000 0.932 19 E CB 0.109 29.834 29.700 0.041 0.000 1.040 19 E HN 0.694 nan 8.360 nan 0.000 0.454 20 G N 0.427 109.248 108.800 0.034 0.000 2.179 20 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.260 20 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.260 20 G C -0.053 174.860 174.900 0.022 0.000 0.977 20 G CA 0.164 45.277 45.100 0.022 0.000 0.641 20 G HN 0.286 nan 8.290 nan 0.000 0.533 21 L N 0.841 122.084 121.223 0.034 0.000 2.385 21 L HA 0.567 4.906 4.340 -0.001 0.000 0.273 21 L C -0.185 176.712 176.870 0.045 0.000 0.990 21 L CA -0.475 54.382 54.840 0.029 0.000 0.821 21 L CB 1.997 44.068 42.059 0.020 0.000 1.279 21 L HN 0.198 nan 8.230 nan 0.000 0.412 22 D N 0.659 121.079 120.400 0.033 0.000 2.535 22 D HA 0.203 4.843 4.640 -0.001 0.000 0.229 22 D C 1.054 177.373 176.300 0.033 0.000 1.238 22 D CA 0.321 54.349 54.000 0.047 0.000 0.824 22 D CB 1.054 41.874 40.800 0.035 0.000 1.045 22 D HN 0.684 nan 8.370 nan 0.000 0.500 23 G N 0.623 109.429 108.800 0.010 0.000 2.176 23 G HA2 -0.347 3.612 3.960 -0.001 0.000 0.253 23 G HA3 -0.347 3.612 3.960 -0.001 0.000 0.253 23 G C 0.259 175.130 174.900 -0.048 0.000 0.979 23 G CA 0.254 45.339 45.100 -0.024 0.000 0.641 23 G HN 0.615 nan 8.290 nan 0.000 0.530 24 Q N 0.336 120.118 119.800 -0.031 0.000 2.310 24 Q HA 0.408 4.747 4.340 -0.001 0.000 0.315 24 Q C 1.604 177.580 176.000 -0.039 0.000 1.081 24 Q CA 2.172 57.954 55.803 -0.035 0.000 0.981 24 Q CB 0.137 28.863 28.738 -0.019 0.000 1.184 24 Q HN 1.890 nan 8.270 nan 0.000 0.389 25 G N 2.550 111.323 108.800 -0.044 0.000 2.179 25 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.260 25 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.260 25 G C -0.267 174.604 174.900 -0.048 0.000 0.977 25 G CA 0.328 45.405 45.100 -0.039 0.000 0.641 25 G HN 0.601 nan 8.290 nan 0.000 0.533 26 Q N -0.604 119.153 119.800 -0.072 0.000 2.248 26 Q HA 0.647 4.986 4.340 -0.001 0.000 0.263 26 Q C -0.251 175.670 176.000 -0.131 0.000 1.007 26 Q CA -0.510 55.241 55.803 -0.086 0.000 0.877 26 Q CB 2.100 30.785 28.738 -0.090 0.000 1.315 26 Q HN 0.545 nan 8.270 nan 0.000 0.454 27 C N 2.672 121.904 119.300 -0.114 0.000 2.340 27 C HA 0.671 5.130 4.460 -0.001 0.000 0.323 27 C C -0.630 174.286 174.990 -0.123 0.000 1.260 27 C CA -0.500 58.437 59.018 -0.134 0.000 1.464 27 C CB -0.495 27.215 27.740 -0.051 0.000 2.156 27 C HN 0.743 nan 8.230 nan 0.000 0.476 28 I N 5.848 126.284 120.570 -0.223 0.000 2.339 28 I HA 0.510 4.679 4.170 -0.001 0.000 0.290 28 I C 0.667 176.823 176.117 0.065 0.000 0.994 28 I CA -0.043 61.201 61.300 -0.093 0.000 1.191 28 I CB 1.550 39.468 38.000 -0.136 0.000 1.343 28 I HN 0.813 nan 8.210 nan 0.000 0.458 29 A N 7.971 130.876 122.820 0.142 0.000 2.310 29 A HA 0.815 5.134 4.320 -0.001 0.000 0.299 29 A C -0.454 177.273 177.584 0.238 0.000 1.147 29 A CA -0.367 51.830 52.037 0.267 0.000 0.818 29 A CB 0.501 19.664 19.000 0.272 0.000 1.096 29 A HN 0.688 nan 8.150 nan 0.000 0.495 30 I N 3.374 124.102 120.570 0.264 0.000 2.447 30 I HA 0.260 4.430 4.170 -0.001 0.000 0.287 30 I C -0.863 175.354 176.117 0.167 0.000 1.023 30 I CA -0.632 60.781 61.300 0.189 0.000 1.083 30 I CB 1.683 39.763 38.000 0.133 0.000 1.245 30 I HN 0.398 nan 8.210 nan 0.000 0.434 31 I N 5.687 126.358 120.570 0.169 0.000 2.365 31 I HA 0.357 4.526 4.170 -0.001 0.000 0.291 31 I C 0.176 176.282 176.117 -0.018 0.000 1.004 31 I CA -0.251 61.117 61.300 0.112 0.000 1.311 31 I CB 0.860 38.984 38.000 0.207 0.000 1.401 31 I HN 0.524 nan 8.210 nan 0.000 0.491 32 E N 6.491 126.541 120.200 -0.250 0.000 2.272 32 E HA 0.398 4.747 4.350 -0.001 0.000 0.269 32 E C -0.049 176.223 176.600 -0.547 0.000 0.877 32 E CA -0.523 55.667 56.400 -0.349 0.000 0.755 32 E CB 2.840 32.298 29.700 -0.402 0.000 1.192 32 E HN 0.454 nan 8.360 nan 0.000 0.422 33 L N 0.376 120.933 121.223 -1.109 0.000 2.766 33 L HA 0.422 4.762 4.340 -0.001 0.000 0.242 33 L C 0.791 177.373 176.870 -0.479 0.000 1.136 33 L CA -0.100 54.150 54.840 -0.983 0.000 0.933 33 L CB 0.708 41.803 42.059 -1.605 0.000 1.241 33 L HN 0.499 nan 8.230 nan 0.000 0.522 34 G N -1.670 107.072 108.800 -0.097 0.000 2.623 34 G HA2 0.485 4.444 3.960 -0.001 0.000 0.290 34 G HA3 0.485 4.444 3.960 -0.001 0.000 0.290 34 G C 0.047 175.099 174.900 0.253 0.000 1.437 34 G CA -0.033 45.147 45.100 0.134 0.000 0.798 34 G HN 0.100 nan 8.290 nan 0.000 0.488 35 G N -0.539 108.362 108.800 0.169 0.000 2.661 35 G HA2 0.408 4.368 3.960 -0.001 0.000 0.327 35 G HA3 0.408 4.368 3.960 -0.001 0.000 0.327 35 G C 0.898 175.850 174.900 0.088 0.000 1.320 35 G CA 1.528 46.701 45.100 0.121 0.000 0.997 35 G HN 2.601 nan 8.290 nan 0.000 0.543 36 G N -3.028 105.861 108.800 0.148 0.000 2.322 36 G HA2 0.703 4.663 3.960 -0.001 0.000 0.295 36 G HA3 0.703 4.663 3.960 -0.001 0.000 0.295 36 G C -1.121 173.887 174.900 0.179 0.000 1.369 36 G CA 0.170 45.318 45.100 0.079 0.000 0.821 36 G HN 1.960 nan 8.290 nan 0.000 0.536 37 Y N -0.246 120.132 120.300 0.130 0.000 2.377 37 Y HA 0.710 5.260 4.550 -0.001 0.000 0.339 37 Y C -0.372 175.547 175.900 0.032 0.000 1.011 37 Y CA -1.979 56.170 58.100 0.082 0.000 1.093 37 Y CB 1.800 40.322 38.460 0.104 0.000 1.201 37 Y HN 0.420 nan 8.280 nan 0.000 0.455 38 D N 3.363 123.821 120.400 0.097 0.000 2.338 38 D HA 0.055 4.694 4.640 -0.001 0.000 0.255 38 D C 0.680 177.050 176.300 0.117 0.000 1.237 38 D CA 0.113 54.136 54.000 0.039 0.000 0.883 38 D CB 0.917 41.729 40.800 0.019 0.000 1.087 38 D HN 0.733 nan 8.370 nan 0.000 0.485 39 E N 2.968 123.236 120.200 0.114 0.000 2.153 39 E HA -0.198 4.151 4.350 -0.001 0.000 0.194 39 E C 1.749 178.416 176.600 0.113 0.000 0.988 39 E CA 1.047 57.554 56.400 0.179 0.000 0.811 39 E CB -0.076 29.716 29.700 0.154 0.000 0.746 39 E HN 0.673 nan 8.360 nan 0.000 0.466 40 A N 1.148 124.009 122.820 0.067 0.000 1.978 40 A HA -0.164 4.156 4.320 -0.001 0.000 0.220 40 A C 2.406 180.012 177.584 0.036 0.000 1.170 40 A CA 1.597 53.663 52.037 0.048 0.000 0.636 40 A CB -0.303 18.714 19.000 0.028 0.000 0.810 40 A HN 0.113 nan 8.150 nan 0.000 0.448 41 S N -0.305 115.410 115.700 0.025 0.000 2.387 41 S HA 0.020 4.489 4.470 -0.001 0.000 0.226 41 S C 1.745 176.320 174.600 -0.042 0.000 1.026 41 S CA 1.107 59.299 58.200 -0.012 0.000 0.972 41 S CB -0.339 62.837 63.200 -0.039 0.000 0.814 41 S HN 0.541 nan 8.310 nan 0.000 0.477 42 L N 1.157 122.358 121.223 -0.036 0.000 2.141 42 L HA -0.064 4.276 4.340 -0.001 0.000 0.209 42 L C 2.767 179.620 176.870 -0.029 0.000 1.094 42 L CA 1.015 55.761 54.840 -0.156 0.000 0.763 42 L CB -0.759 41.295 42.059 -0.008 0.000 0.908 42 L HN 0.304 nan 8.230 nan 0.000 0.437 43 A N 0.933 123.804 122.820 0.084 0.000 1.858 43 A HA -0.276 4.043 4.320 -0.001 0.000 0.216 43 A C 2.302 179.948 177.584 0.103 0.000 1.190 43 A CA 1.894 54.011 52.037 0.133 0.000 0.617 43 A CB -0.655 18.407 19.000 0.105 0.000 0.827 43 A HN 0.592 nan 8.150 nan 0.000 0.443 44 Q N -2.332 117.506 119.800 0.064 0.000 2.119 44 Q HA -0.210 4.130 4.340 -0.001 0.000 0.201 44 Q C 1.972 178.002 176.000 0.050 0.000 0.972 44 Q CA 1.849 57.683 55.803 0.052 0.000 0.847 44 Q CB -0.602 28.161 28.738 0.042 0.000 0.903 44 Q HN 0.650 nan 8.270 nan 0.000 0.433 45 Y N 0.801 121.026 120.300 -0.125 0.000 2.070 45 Y HA -0.197 4.352 4.550 -0.001 0.000 0.279 45 Y C 1.647 177.482 175.900 -0.110 0.000 1.134 45 Y CA 1.654 59.639 58.100 -0.192 0.000 1.113 45 Y CB -0.532 37.698 38.460 -0.383 0.000 0.981 45 Y HN 0.102 nan 8.280 nan 0.000 0.487 46 F N 0.302 120.247 119.950 -0.008 0.000 2.091 46 F HA -0.233 4.294 4.527 -0.001 0.000 0.299 46 F C 2.681 178.416 175.800 -0.109 0.000 1.103 46 F CA 1.348 59.288 58.000 -0.101 0.000 1.228 46 F CB -1.577 37.424 39.000 0.002 0.000 0.984 46 F HN 0.179 nan 8.300 nan 0.000 0.477 47 A N -0.057 122.835 122.820 0.120 0.000 1.933 47 A HA -0.210 4.109 4.320 -0.001 0.000 0.218 47 A C 2.387 179.967 177.584 -0.007 0.000 1.175 47 A CA 2.193 54.262 52.037 0.053 0.000 0.628 47 A CB -1.244 17.785 19.000 0.050 0.000 0.814 47 A HN 0.429 nan 8.150 nan 0.000 0.444 48 S N -0.350 115.321 115.700 -0.050 0.000 2.447 48 S HA 0.008 4.477 4.470 -0.001 0.000 0.233 48 S C 1.481 176.014 174.600 -0.112 0.000 1.006 48 S CA 1.285 59.440 58.200 -0.075 0.000 0.957 48 S CB -0.491 62.663 63.200 -0.076 0.000 0.773 48 S HN 0.444 nan 8.310 nan 0.000 0.507 49 L N 0.866 121.991 121.223 -0.164 0.000 2.592 49 L HA 0.344 4.683 4.340 -0.001 0.000 0.227 49 L C 1.775 178.608 176.870 -0.062 0.000 1.127 49 L CA 0.272 55.025 54.840 -0.146 0.000 0.884 49 L CB -0.574 41.349 42.059 -0.225 0.000 1.065 49 L HN 0.577 nan 8.230 nan 0.000 0.457 50 G N 0.621 109.401 108.800 -0.034 0.000 2.153 50 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.252 50 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.252 50 G C 0.185 175.084 174.900 -0.002 0.000 0.994 50 G CA 0.215 45.307 45.100 -0.012 0.000 0.698 50 G HN 0.153 nan 8.290 nan 0.000 0.521 51 V N 0.995 120.916 119.914 0.012 0.000 2.432 51 V HA 0.446 4.565 4.120 -0.001 0.000 0.275 51 V C -1.326 174.760 176.094 -0.013 0.000 1.043 51 V CA -1.782 60.519 62.300 0.001 0.000 0.925 51 V CB 1.347 33.174 31.823 0.006 0.000 0.985 51 V HN 0.120 nan 8.190 nan 0.000 0.466 52 P HA 0.153 nan 4.420 nan 0.000 0.266 52 P C -0.158 177.097 177.300 -0.075 0.000 1.195 52 P CA 0.073 63.157 63.100 -0.027 0.000 0.768 52 P CB 0.429 32.116 31.700 -0.022 0.000 0.838 53 A N 5.252 128.053 122.820 -0.031 0.000 2.524 53 A HA 0.320 4.639 4.320 -0.001 0.000 0.250 53 A C -1.787 175.736 177.584 -0.103 0.000 1.078 53 A CA -0.630 51.375 52.037 -0.053 0.000 0.761 53 A CB -1.183 17.852 19.000 0.058 0.000 1.012 53 A HN 0.398 nan 8.150 nan 0.000 0.500 54 P HA 0.280 nan 4.420 nan 0.000 0.276 54 P C -0.633 176.684 177.300 0.028 0.000 1.252 54 P CA -0.543 62.495 63.100 -0.102 0.000 0.802 54 P CB 0.505 32.090 31.700 -0.191 0.000 1.035 55 Q N 0.822 120.682 119.800 0.100 0.000 2.314 55 Q HA 0.398 4.737 4.340 -0.001 0.000 0.257 55 Q C -1.393 174.714 176.000 0.178 0.000 0.975 55 Q CA -0.434 55.434 55.803 0.109 0.000 0.933 55 Q CB 0.254 29.035 28.738 0.070 0.000 1.195 55 Q HN 0.160 nan 8.270 nan 0.000 0.426 56 V N 5.777 125.781 119.914 0.149 0.000 2.378 56 V HA 0.486 4.605 4.120 -0.001 0.000 0.288 56 V C -0.331 175.857 176.094 0.156 0.000 1.016 56 V CA -0.737 61.646 62.300 0.139 0.000 0.840 56 V CB 1.306 33.135 31.823 0.010 0.000 0.994 56 V HN 0.666 nan 8.190 nan 0.000 0.431 57 V N 1.924 121.922 119.914 0.139 0.000 2.769 57 V HA 0.800 4.919 4.120 -0.001 0.000 0.312 57 V C -0.177 176.002 176.094 0.142 0.000 1.061 57 V CA -0.338 62.044 62.300 0.138 0.000 0.931 57 V CB 2.239 34.104 31.823 0.070 0.000 1.010 57 V HN 0.656 nan 8.190 nan 0.000 0.433 58 S N 2.456 118.272 115.700 0.193 0.000 2.489 58 S HA 0.767 5.236 4.470 -0.001 0.000 0.291 58 S C -0.502 174.139 174.600 0.068 0.000 1.151 58 S CA -0.456 57.882 58.200 0.230 0.000 1.082 58 S CB 1.481 64.866 63.200 0.309 0.000 1.019 58 S HN 0.815 nan 8.310 nan 0.000 0.492 59 V N 3.189 123.096 119.914 -0.012 0.000 2.444 59 V HA 0.421 4.541 4.120 -0.001 0.000 0.294 59 V C 0.186 176.358 176.094 0.130 0.000 1.022 59 V CA -0.679 61.602 62.300 -0.032 0.000 0.850 59 V CB 1.788 33.469 31.823 -0.237 0.000 0.992 59 V HN 0.847 nan 8.190 nan 0.000 0.426 60 S N 4.663 120.440 115.700 0.129 0.000 2.545 60 S HA 0.637 5.107 4.470 -0.001 0.000 0.275 60 S C -0.610 174.080 174.600 0.151 0.000 1.299 60 S CA -0.313 57.972 58.200 0.142 0.000 1.048 60 S CB 0.985 64.231 63.200 0.076 0.000 0.938 60 S HN 0.515 nan 8.310 nan 0.000 0.496 61 V N 4.583 124.592 119.914 0.158 0.000 2.638 61 V HA 0.365 4.485 4.120 -0.001 0.000 0.306 61 V C -0.653 175.497 176.094 0.094 0.000 1.052 61 V CA -0.747 61.635 62.300 0.137 0.000 0.885 61 V CB 1.720 33.641 31.823 0.164 0.000 0.999 61 V HN 1.016 nan 8.190 nan 0.000 0.424 62 D N 3.831 124.274 120.400 0.072 0.000 2.701 62 D HA -0.199 4.441 4.640 -0.001 0.000 0.235 62 D C 1.370 177.695 176.300 0.042 0.000 1.155 62 D CA 1.921 55.952 54.000 0.051 0.000 0.649 62 D CB -1.093 39.736 40.800 0.048 0.000 1.050 62 D HN 1.482 nan 8.370 nan 0.000 0.425 63 G N -1.798 107.027 108.800 0.042 0.000 2.184 63 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.264 63 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.264 63 G C 0.560 175.473 174.900 0.022 0.000 0.975 63 G CA 0.797 45.913 45.100 0.027 0.000 0.642 63 G HN 1.195 nan 8.290 nan 0.000 0.536 64 A N -0.340 122.505 122.820 0.041 0.000 2.287 64 A HA 0.924 5.243 4.320 -0.001 0.000 0.273 64 A C 0.712 178.316 177.584 0.034 0.000 1.091 64 A CA 1.039 53.098 52.037 0.037 0.000 0.817 64 A CB 0.970 20.011 19.000 0.069 0.000 1.069 64 A HN 2.055 nan 8.150 nan 0.000 0.492 65 S N -0.098 115.566 115.700 -0.061 0.000 2.752 65 S HA 0.448 4.917 4.470 -0.001 0.000 0.284 65 S C -0.774 173.405 174.600 -0.702 0.000 1.189 65 S CA -0.852 57.230 58.200 -0.197 0.000 0.835 65 S CB 0.714 63.820 63.200 -0.157 0.000 1.192 65 S HN 0.757 nan 8.310 nan 0.000 0.506 66 N N 1.406 119.530 118.700 -0.961 0.000 2.402 66 N HA 0.231 4.970 4.740 -0.001 0.000 0.259 66 N C -1.162 173.929 175.510 -0.698 0.000 1.167 66 N CA 0.125 52.334 53.050 -1.401 0.000 0.949 66 N CB -0.334 37.568 38.487 -0.975 0.000 1.212 66 N HN 0.579 nan 8.380 nan 0.000 0.493 67 Q N 4.191 123.665 119.800 -0.543 0.000 2.932 67 Q HA 0.312 4.651 4.340 -0.001 0.000 0.248 67 Q C -2.434 173.454 176.000 -0.186 0.000 0.982 67 Q CA -1.718 53.911 55.803 -0.290 0.000 0.730 67 Q CB 1.818 30.437 28.738 -0.200 0.000 1.249 67 Q HN 0.529 nan 8.270 nan 0.000 0.476 68 P HA -0.059 nan 4.420 nan 0.000 0.268 68 P C 0.756 178.021 177.300 -0.058 0.000 1.204 68 P CA 0.234 63.284 63.100 -0.085 0.000 0.768 68 P CB 1.259 32.907 31.700 -0.087 0.000 0.842 69 T N -0.858 113.683 114.554 -0.023 0.000 3.067 69 T HA 0.196 4.545 4.350 -0.001 0.000 0.257 69 T C 1.389 176.081 174.700 -0.014 0.000 1.105 69 T CA 0.970 63.059 62.100 -0.017 0.000 1.104 69 T CB -0.763 68.105 68.868 0.001 0.000 0.925 69 T HN 0.620 nan 8.240 nan 0.000 0.498 70 G N 1.246 110.040 108.800 -0.010 0.000 2.217 70 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.246 70 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.246 70 G C -0.145 174.753 174.900 -0.002 0.000 0.990 70 G CA 0.093 45.188 45.100 -0.009 0.000 0.627 70 G HN 0.760 nan 8.290 nan 0.000 0.522 71 D N 1.283 121.685 120.400 0.004 0.000 2.411 71 D HA 0.537 5.176 4.640 -0.001 0.000 0.225 71 D C -0.504 175.801 176.300 0.009 0.000 1.156 71 D CA -2.262 51.742 54.000 0.006 0.000 0.874 71 D CB 1.194 42.000 40.800 0.011 0.000 1.034 71 D HN 0.100 nan 8.370 nan 0.000 0.502 72 P HA -0.159 nan 4.420 nan 0.000 0.220 72 P C 1.035 178.335 177.300 -0.001 0.000 1.144 72 P CA 1.042 64.140 63.100 -0.004 0.000 0.800 72 P CB 0.137 31.830 31.700 -0.011 0.000 0.772 73 S N -2.356 113.347 115.700 0.004 0.000 2.558 73 S HA 0.212 4.681 4.470 -0.001 0.000 0.217 73 S C 1.214 175.825 174.600 0.017 0.000 0.975 73 S CA 0.185 58.389 58.200 0.006 0.000 0.912 73 S CB -0.715 62.489 63.200 0.006 0.000 0.776 73 S HN 0.134 nan 8.310 nan 0.000 0.526 74 G N 1.960 110.778 108.800 0.029 0.000 2.641 74 G HA2 0.486 4.445 3.960 -0.001 0.000 0.239 74 G HA3 0.486 4.445 3.960 -0.001 0.000 0.239 74 G C -1.706 173.239 174.900 0.076 0.000 1.402 74 G CA -1.001 44.129 45.100 0.051 0.000 1.046 74 G HN 0.210 nan 8.290 nan 0.000 0.565 75 P HA 0.001 nan 4.420 nan 0.000 0.226 75 P C 0.492 177.897 177.300 0.175 0.000 1.153 75 P CA 0.811 64.023 63.100 0.187 0.000 0.777 75 P CB 0.225 32.081 31.700 0.259 0.000 0.794 76 D N 0.654 121.127 120.400 0.121 0.000 2.158 76 D HA -0.128 4.512 4.640 -0.001 0.000 0.197 76 D C 2.327 178.682 176.300 0.092 0.000 0.995 76 D CA 1.762 55.828 54.000 0.109 0.000 0.846 76 D CB -1.084 39.753 40.800 0.062 0.000 0.941 76 D HN 0.208 nan 8.370 nan 0.000 0.456 77 G N -0.803 108.033 108.800 0.061 0.000 2.432 77 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.219 77 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.219 77 G C 1.445 176.366 174.900 0.036 0.000 1.135 77 G CA 1.020 46.131 45.100 0.019 0.000 0.767 77 G HN 0.436 nan 8.290 nan 0.000 0.550 78 H N -0.502 118.532 119.070 -0.061 0.000 2.333 78 H HA -0.026 4.530 4.556 -0.001 0.000 0.302 78 H C 2.658 177.956 175.328 -0.049 0.000 1.075 78 H CA 1.006 56.976 56.048 -0.130 0.000 1.348 78 H CB 0.242 29.847 29.762 -0.262 0.000 1.393 78 H HN 0.155 nan 8.280 nan 0.000 0.509 79 V N 1.166 121.183 119.914 0.173 0.000 2.261 79 V HA -0.241 3.879 4.120 -0.001 0.000 0.246 79 V C 2.081 178.232 176.094 0.094 0.000 1.047 79 V CA 2.253 64.647 62.300 0.157 0.000 1.015 79 V CB -0.510 31.496 31.823 0.305 0.000 0.642 79 V HN 0.495 nan 8.190 nan 0.000 0.446 80 E N -0.073 120.168 120.200 0.067 0.000 2.106 80 E HA -0.210 4.139 4.350 -0.001 0.000 0.192 80 E C 2.105 178.625 176.600 -0.133 0.000 0.984 80 E CA 1.266 57.644 56.400 -0.037 0.000 0.806 80 E CB -0.231 29.441 29.700 -0.047 0.000 0.750 80 E HN 0.499 nan 8.360 nan 0.000 0.458 81 L N 1.474 122.633 121.223 -0.108 0.000 2.046 81 L HA -0.170 4.169 4.340 -0.001 0.000 0.208 81 L C 1.522 178.312 176.870 -0.134 0.000 1.077 81 L CA 1.914 56.657 54.840 -0.162 0.000 0.747 81 L CB -0.374 41.593 42.059 -0.154 0.000 0.896 81 L HN -0.066 nan 8.230 nan 0.000 0.432 82 D N 0.130 120.499 120.400 -0.052 0.000 2.116 82 D HA -0.217 4.422 4.640 -0.001 0.000 0.193 82 D C 2.287 178.550 176.300 -0.062 0.000 0.998 82 D CA 2.292 56.276 54.000 -0.028 0.000 0.836 82 D CB -0.118 40.706 40.800 0.040 0.000 0.951 82 D HN 0.505 nan 8.370 nan 0.000 0.449 83 I N 0.715 121.225 120.570 -0.100 0.000 2.406 83 I HA -0.154 4.015 4.170 -0.001 0.000 0.249 83 I C 2.246 178.286 176.117 -0.128 0.000 1.122 83 I CA 0.785 61.977 61.300 -0.179 0.000 1.431 83 I CB -0.142 37.711 38.000 -0.245 0.000 1.087 83 I HN -0.062 nan 8.210 nan 0.000 0.424 84 E N 0.457 120.565 120.200 -0.152 0.000 2.072 84 E HA -0.149 4.200 4.350 -0.001 0.000 0.191 84 E C 2.349 179.012 176.600 0.105 0.000 0.985 84 E CA 1.078 57.410 56.400 -0.113 0.000 0.801 84 E CB 0.054 29.422 29.700 -0.553 0.000 0.750 84 E HN 0.235 nan 8.360 nan 0.000 0.452 85 V N 1.306 121.210 119.914 -0.017 0.000 2.261 85 V HA -0.286 3.833 4.120 -0.001 0.000 0.246 85 V C 2.290 178.440 176.094 0.093 0.000 1.047 85 V CA 2.020 64.331 62.300 0.017 0.000 1.015 85 V CB -0.663 31.062 31.823 -0.163 0.000 0.642 85 V HN 0.333 nan 8.190 nan 0.000 0.446 86 A N 0.248 123.106 122.820 0.065 0.000 1.898 86 A HA -0.024 4.295 4.320 -0.001 0.000 0.216 86 A C 2.376 180.044 177.584 0.139 0.000 1.181 86 A CA 1.754 53.887 52.037 0.161 0.000 0.620 86 A CB -1.125 18.009 19.000 0.224 0.000 0.819 86 A HN 0.538 nan 8.150 nan 0.000 0.442 87 G N -0.669 108.006 108.800 -0.208 0.000 2.443 87 G HA2 0.096 4.056 3.960 -0.001 0.000 0.219 87 G HA3 0.096 4.056 3.960 -0.001 0.000 0.219 87 G C 1.584 176.466 174.900 -0.029 0.000 1.131 87 G CA 1.103 45.969 45.100 -0.389 0.000 0.775 87 G HN 0.760 nan 8.290 nan 0.000 0.547 88 A N -0.232 122.772 122.820 0.307 0.000 2.067 88 A HA 0.234 4.554 4.320 -0.001 0.000 0.219 88 A C 2.020 179.698 177.584 0.156 0.000 1.158 88 A CA 0.971 53.173 52.037 0.276 0.000 0.661 88 A CB -0.084 19.103 19.000 0.311 0.000 0.801 88 A HN 0.314 nan 8.150 nan 0.000 0.452 89 L N -2.583 118.756 121.223 0.192 0.000 2.701 89 L HA 0.421 4.760 4.340 -0.001 0.000 0.238 89 L C 1.207 178.222 176.870 0.242 0.000 1.106 89 L CA 0.959 55.926 54.840 0.211 0.000 0.898 89 L CB 0.308 42.527 42.059 0.266 0.000 1.188 89 L HN 0.288 nan 8.230 nan 0.000 0.508 90 A N -0.086 122.894 122.820 0.265 0.000 3.308 90 A HA 0.504 4.823 4.320 -0.001 0.000 0.275 90 A C -1.894 175.844 177.584 0.257 0.000 0.950 90 A CA -0.479 51.699 52.037 0.235 0.000 0.987 90 A CB -0.016 19.117 19.000 0.222 0.000 1.146 90 A HN 0.019 nan 8.150 nan 0.000 0.488 91 P HA -0.013 nan 4.420 nan 0.000 0.242 91 P C 1.245 178.578 177.300 0.055 0.000 1.197 91 P CA 1.277 64.425 63.100 0.080 0.000 0.765 91 P CB 0.195 31.847 31.700 -0.081 0.000 0.936 92 G N -0.083 108.736 108.800 0.031 0.000 2.777 92 G HA2 0.225 4.185 3.960 -0.001 0.000 0.211 92 G HA3 0.225 4.185 3.960 -0.001 0.000 0.211 92 G C 0.728 175.592 174.900 -0.060 0.000 1.149 92 G CA 0.235 45.329 45.100 -0.009 0.000 0.785 92 G HN 0.432 nan 8.290 nan 0.000 0.536 93 A N 0.155 122.898 122.820 -0.129 0.000 2.371 93 A HA 0.566 4.885 4.320 -0.001 0.000 0.257 93 A C 0.314 177.623 177.584 -0.458 0.000 1.089 93 A CA -0.389 51.446 52.037 -0.336 0.000 0.794 93 A CB 0.499 19.179 19.000 -0.534 0.000 1.029 93 A HN 0.241 nan 8.150 nan 0.000 0.488 94 K N 1.119 121.301 120.400 -0.364 0.000 2.249 94 K HA 0.438 4.758 4.320 -0.001 0.000 0.280 94 K C -1.622 174.739 176.600 -0.398 0.000 1.033 94 K CA -0.005 56.140 56.287 -0.237 0.000 0.946 94 K CB 0.239 32.679 32.500 -0.101 0.000 1.005 94 K HN 0.460 nan 8.250 nan 0.000 0.469 95 F N 2.775 122.719 119.950 -0.009 0.000 2.388 95 F HA 0.401 4.928 4.527 -0.001 0.000 0.358 95 F C 0.234 176.020 175.800 -0.023 0.000 1.122 95 F CA -0.676 57.318 58.000 -0.010 0.000 1.056 95 F CB 1.830 40.811 39.000 -0.031 0.000 1.155 95 F HN 0.506 nan 8.300 nan 0.000 0.461 96 A N 4.039 126.924 122.820 0.108 0.000 2.256 96 A HA 0.712 5.032 4.320 -0.001 0.000 0.317 96 A C -0.938 176.580 177.584 -0.110 0.000 1.318 96 A CA -0.622 51.390 52.037 -0.042 0.000 0.894 96 A CB 0.367 19.325 19.000 -0.070 0.000 1.165 96 A HN 0.517 nan 8.150 nan 0.000 0.525 97 V N 3.376 123.197 119.914 -0.155 0.000 2.370 97 V HA 0.255 4.374 4.120 -0.001 0.000 0.279 97 V C -0.982 174.911 176.094 -0.335 0.000 1.029 97 V CA -0.370 61.827 62.300 -0.172 0.000 0.870 97 V CB 0.310 32.068 31.823 -0.110 0.000 0.984 97 V HN 0.721 nan 8.190 nan 0.000 0.451 98 Y N 4.769 124.979 120.300 -0.151 0.000 2.404 98 Y HA 0.574 5.123 4.550 -0.001 0.000 0.344 98 Y C -0.126 175.654 175.900 -0.200 0.000 0.970 98 Y CA -0.454 57.606 58.100 -0.066 0.000 1.180 98 Y CB 0.715 39.168 38.460 -0.013 0.000 1.138 98 Y HN 0.512 nan 8.280 nan 0.000 0.510 99 F N 2.277 122.298 119.950 0.118 0.000 2.421 99 F HA 0.759 5.285 4.527 -0.001 0.000 0.337 99 F C 0.325 176.142 175.800 0.027 0.000 1.105 99 F CA -0.766 57.259 58.000 0.042 0.000 1.049 99 F CB 1.341 40.352 39.000 0.019 0.000 1.139 99 F HN 0.476 nan 8.300 nan 0.000 0.479 100 A N 3.379 126.264 122.820 0.109 0.000 2.566 100 A HA 0.864 5.183 4.320 -0.001 0.000 0.292 100 A C -2.972 174.605 177.584 -0.012 0.000 1.112 100 A CA -2.072 49.998 52.037 0.055 0.000 0.707 100 A CB 1.479 20.503 19.000 0.041 0.000 1.302 100 A HN 0.439 nan 8.150 nan 0.000 0.409 101 P HA 0.088 nan 4.420 nan 0.000 0.269 101 P C -0.438 176.809 177.300 -0.088 0.000 1.215 101 P CA -0.180 62.899 63.100 -0.034 0.000 0.780 101 P CB 0.388 32.084 31.700 -0.006 0.000 0.898 102 N N 1.736 120.366 118.700 -0.116 0.000 3.103 102 N HA 0.047 4.787 4.740 -0.001 0.000 0.305 102 N C -0.679 174.784 175.510 -0.080 0.000 1.232 102 N CA 0.155 53.106 53.050 -0.165 0.000 1.190 102 N CB -0.877 37.523 38.487 -0.145 0.000 1.461 102 N HN 0.416 nan 8.380 nan 0.000 0.538 103 T N -2.793 111.738 114.554 -0.038 0.000 2.887 103 T HA 0.335 4.684 4.350 -0.001 0.000 0.292 103 T C 0.691 175.441 174.700 0.083 0.000 1.087 103 T CA -0.753 61.350 62.100 0.005 0.000 1.009 103 T CB 1.317 70.192 68.868 0.012 0.000 1.203 103 T HN -0.117 nan 8.240 nan 0.000 0.518 104 D N 0.564 121.013 120.400 0.083 0.000 2.117 104 D HA -0.041 4.598 4.640 -0.001 0.000 0.197 104 D C 2.322 178.749 176.300 0.212 0.000 0.987 104 D CA 1.675 55.793 54.000 0.197 0.000 0.829 104 D CB -0.563 40.330 40.800 0.156 0.000 0.961 104 D HN 0.734 nan 8.370 nan 0.000 0.460 105 A N 0.991 123.886 122.820 0.125 0.000 1.902 105 A HA -0.060 4.259 4.320 -0.001 0.000 0.217 105 A C 2.388 180.034 177.584 0.104 0.000 1.181 105 A CA 2.190 54.285 52.037 0.096 0.000 0.623 105 A CB -1.095 17.942 19.000 0.061 0.000 0.818 105 A HN 0.306 nan 8.150 nan 0.000 0.443 106 G N -1.162 107.702 108.800 0.105 0.000 2.433 106 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.216 106 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.216 106 G C 1.468 176.464 174.900 0.160 0.000 1.186 106 G CA 1.141 46.296 45.100 0.092 0.000 0.779 106 G HN 0.376 nan 8.290 nan 0.000 0.543 107 F N 1.361 121.319 119.950 0.014 0.000 2.069 107 F HA -0.031 4.495 4.527 -0.001 0.000 0.298 107 F C 2.407 178.239 175.800 0.054 0.000 1.113 107 F CA 1.142 59.168 58.000 0.044 0.000 1.214 107 F CB -0.945 38.150 39.000 0.158 0.000 0.978 107 F HN 0.126 nan 8.300 nan 0.000 0.474 108 L N 0.879 122.193 121.223 0.152 0.000 1.989 108 L HA -0.235 4.104 4.340 -0.001 0.000 0.211 108 L C 2.028 178.878 176.870 -0.033 0.000 1.071 108 L CA 2.376 57.197 54.840 -0.033 0.000 0.749 108 L CB -1.262 40.794 42.059 -0.005 0.000 0.890 108 L HN 0.012 nan 8.230 nan 0.000 0.431 109 D N -0.123 120.293 120.400 0.027 0.000 2.178 109 D HA -0.138 4.502 4.640 -0.001 0.000 0.201 109 D C 2.182 178.483 176.300 0.002 0.000 0.980 109 D CA 1.461 55.471 54.000 0.016 0.000 0.842 109 D CB -0.229 40.598 40.800 0.046 0.000 0.948 109 D HN 0.551 nan 8.370 nan 0.000 0.472 110 A N 0.456 123.299 122.820 0.038 0.000 1.898 110 A HA -0.087 4.232 4.320 -0.001 0.000 0.216 110 A C 2.337 179.838 177.584 -0.138 0.000 1.181 110 A CA 0.693 52.735 52.037 0.007 0.000 0.620 110 A CB -0.601 18.449 19.000 0.084 0.000 0.819 110 A HN 0.172 nan 8.150 nan 0.000 0.442 111 I N 0.426 120.951 120.570 -0.076 0.000 2.226 111 I HA -0.237 3.933 4.170 -0.001 0.000 0.245 111 I C 2.781 178.734 176.117 -0.272 0.000 1.100 111 I CA 1.871 63.075 61.300 -0.160 0.000 1.374 111 I CB -0.452 37.452 38.000 -0.160 0.000 1.057 111 I HN 0.525 nan 8.210 nan 0.000 0.413 112 T N -3.105 111.295 114.554 -0.257 0.000 2.951 112 T HA -0.087 4.262 4.350 -0.001 0.000 0.268 112 T C 1.775 176.311 174.700 -0.274 0.000 1.073 112 T CA 1.422 63.315 62.100 -0.344 0.000 1.134 112 T CB -0.636 68.121 68.868 -0.184 0.000 0.884 112 T HN 0.197 nan 8.240 nan 0.000 0.479 113 T N 2.114 116.557 114.554 -0.185 0.000 2.708 113 T HA 0.107 4.457 4.350 -0.001 0.000 0.266 113 T C 2.463 176.988 174.700 -0.292 0.000 1.037 113 T CA 1.284 63.307 62.100 -0.129 0.000 1.146 113 T CB -0.725 68.121 68.868 -0.036 0.000 0.865 113 T HN 0.597 nan 8.240 nan 0.000 0.435 114 A N 1.001 123.419 122.820 -0.669 0.000 1.898 114 A HA 0.046 4.365 4.320 -0.001 0.000 0.216 114 A C 2.276 179.693 177.584 -0.279 0.000 1.181 114 A CA 1.042 52.657 52.037 -0.703 0.000 0.620 114 A CB -0.707 17.756 19.000 -0.895 0.000 0.819 114 A HN 0.512 nan 8.150 nan 0.000 0.442 115 I N -1.055 119.335 120.570 -0.300 0.000 2.286 115 I HA -0.257 3.912 4.170 -0.001 0.000 0.248 115 I C 1.961 177.982 176.117 -0.161 0.000 1.115 115 I CA 1.458 62.609 61.300 -0.248 0.000 1.392 115 I CB -0.459 37.318 38.000 -0.372 0.000 1.065 115 I HN 0.456 nan 8.210 nan 0.000 0.418 116 H N -0.773 118.256 119.070 -0.069 0.000 2.539 116 H HA 0.033 4.588 4.556 -0.001 0.000 0.267 116 H C 0.446 175.767 175.328 -0.012 0.000 0.982 116 H CA -0.428 55.596 56.048 -0.039 0.000 1.146 116 H CB 0.016 29.754 29.762 -0.041 0.000 1.382 116 H HN 0.125 nan 8.280 nan 0.000 0.577 117 D N 2.681 123.139 120.400 0.096 0.000 2.402 117 D HA -0.053 4.586 4.640 -0.001 0.000 0.268 117 D C -1.369 174.984 176.300 0.089 0.000 1.294 117 D CA -1.115 52.950 54.000 0.108 0.000 0.945 117 D CB 1.062 41.949 40.800 0.145 0.000 1.112 117 D HN 0.280 nan 8.370 nan 0.000 0.517 118 P HA -0.016 nan 4.420 nan 0.000 0.236 118 P C 0.910 178.239 177.300 0.049 0.000 1.177 118 P CA 0.405 63.537 63.100 0.055 0.000 0.773 118 P CB 0.663 32.389 31.700 0.043 0.000 0.878 119 T N -0.385 114.205 114.554 0.061 0.000 3.044 119 T HA 0.198 4.547 4.350 -0.001 0.000 0.237 119 T C 1.742 176.473 174.700 0.053 0.000 1.001 119 T CA 0.427 62.558 62.100 0.052 0.000 1.160 119 T CB -0.369 68.531 68.868 0.054 0.000 0.889 119 T HN -0.008 nan 8.240 nan 0.000 0.442 120 L N 0.627 121.896 121.223 0.076 0.000 2.375 120 L HA 0.233 4.572 4.340 -0.001 0.000 0.215 120 L C 0.392 177.301 176.870 0.064 0.000 1.108 120 L CA 0.305 55.190 54.840 0.075 0.000 0.830 120 L CB -0.373 41.757 42.059 0.117 0.000 0.959 120 L HN 0.216 nan 8.230 nan 0.000 0.457 121 K N 0.646 121.086 120.400 0.065 0.000 3.777 121 K HA -0.163 4.157 4.320 -0.001 0.000 0.276 121 K C -2.180 174.440 176.600 0.033 0.000 0.877 121 K CA -0.239 56.074 56.287 0.044 0.000 0.724 121 K CB -1.470 31.046 32.500 0.027 0.000 1.589 121 K HN 0.280 nan 8.250 nan 0.000 0.444 122 P HA -0.035 nan 4.420 nan 0.000 0.268 122 P C 0.475 177.782 177.300 0.012 0.000 1.205 122 P CA 0.082 63.202 63.100 0.034 0.000 0.771 122 P CB 1.321 33.066 31.700 0.075 0.000 0.858 123 S N 0.993 116.692 115.700 -0.002 0.000 2.535 123 S HA 0.216 4.685 4.470 -0.001 0.000 0.214 123 S C 0.480 175.084 174.600 0.006 0.000 0.980 123 S CA -0.133 58.065 58.200 -0.002 0.000 0.907 123 S CB -0.079 63.113 63.200 -0.013 0.000 0.790 123 S HN 0.290 nan 8.310 nan 0.000 0.510 124 V N 1.280 121.202 119.914 0.014 0.000 2.733 124 V HA 0.532 4.651 4.120 -0.001 0.000 0.306 124 V C -1.104 175.023 176.094 0.055 0.000 1.084 124 V CA -0.771 61.549 62.300 0.033 0.000 0.905 124 V CB 2.058 33.901 31.823 0.034 0.000 1.010 124 V HN 0.132 nan 8.190 nan 0.000 0.424 125 V N 2.822 122.776 119.914 0.066 0.000 2.407 125 V HA 0.553 4.672 4.120 -0.001 0.000 0.291 125 V C -0.017 176.142 176.094 0.109 0.000 1.018 125 V CA -0.281 62.070 62.300 0.086 0.000 0.842 125 V CB 1.875 33.739 31.823 0.068 0.000 0.996 125 V HN 0.876 nan 8.190 nan 0.000 0.426 126 S N 6.080 121.863 115.700 0.139 0.000 2.433 126 S HA 0.792 5.261 4.470 -0.001 0.000 0.310 126 S C -0.788 173.923 174.600 0.185 0.000 1.097 126 S CA -0.394 57.895 58.200 0.148 0.000 1.103 126 S CB 0.461 63.751 63.200 0.151 0.000 0.992 126 S HN 0.557 nan 8.310 nan 0.000 0.469 127 I N 4.066 124.753 120.570 0.194 0.000 2.498 127 I HA 0.358 4.527 4.170 -0.001 0.000 0.290 127 I C 0.075 176.353 176.117 0.269 0.000 1.032 127 I CA -0.398 61.078 61.300 0.294 0.000 1.073 127 I CB 2.455 40.658 38.000 0.340 0.000 1.251 127 I HN 0.755 nan 8.210 nan 0.000 0.426 128 S N 2.600 118.497 115.700 0.329 0.000 2.901 128 S HA 0.347 4.817 4.470 -0.001 0.000 0.248 128 S C -1.208 173.440 174.600 0.080 0.000 1.021 128 S CA -0.668 57.637 58.200 0.174 0.000 1.090 128 S CB -0.234 63.030 63.200 0.107 0.000 1.039 128 S HN 0.525 nan 8.310 nan 0.000 0.514 129 W N 0.331 121.755 121.300 0.207 0.000 2.781 129 W HA 0.842 5.501 4.660 -0.001 0.000 0.345 129 W C 0.570 177.258 176.519 0.282 0.000 1.085 129 W CA -0.031 57.388 57.345 0.123 0.000 1.198 129 W CB 1.726 31.034 29.460 -0.254 0.000 1.423 129 W HN 0.491 nan 8.180 nan 0.000 0.532 130 G N -0.302 108.827 108.800 0.550 0.000 2.335 130 G HA2 0.583 4.542 3.960 -0.001 0.000 0.291 130 G HA3 0.583 4.542 3.960 -0.001 0.000 0.291 130 G C -1.066 174.168 174.900 0.557 0.000 1.261 130 G CA 0.017 45.539 45.100 0.704 0.000 0.871 130 G HN 1.089 nan 8.290 nan 0.000 0.491 131 G N -0.962 108.227 108.800 0.648 0.000 2.519 131 G HA2 0.688 4.648 3.960 -0.001 0.000 0.292 131 G HA3 0.688 4.648 3.960 -0.001 0.000 0.292 131 G C -3.415 171.816 174.900 0.552 0.000 1.507 131 G CA -0.575 44.788 45.100 0.439 0.000 0.806 131 G HN 0.552 nan 8.290 nan 0.000 0.523 132 P HA 0.058 nan 4.420 nan 0.000 0.264 132 P C 0.755 178.331 177.300 0.461 0.000 1.179 132 P CA 0.290 63.574 63.100 0.306 0.000 0.763 132 P CB 0.610 32.354 31.700 0.073 0.000 0.806 133 E N 1.943 122.402 120.200 0.431 0.000 2.204 133 E HA -0.192 4.157 4.350 -0.001 0.000 0.194 133 E C 0.966 177.756 176.600 0.318 0.000 0.989 133 E CA 0.972 57.619 56.400 0.412 0.000 0.824 133 E CB -0.523 29.344 29.700 0.278 0.000 0.756 133 E HN 0.491 nan 8.360 nan 0.000 0.477 134 D N 1.648 122.188 120.400 0.235 0.000 2.363 134 D HA -0.104 4.535 4.640 -0.001 0.000 0.226 134 D C 1.496 177.866 176.300 0.116 0.000 1.020 134 D CA 0.931 55.020 54.000 0.148 0.000 0.892 134 D CB -0.047 40.831 40.800 0.131 0.000 0.900 134 D HN 0.206 nan 8.370 nan 0.000 0.531 135 S N -1.794 114.001 115.700 0.159 0.000 2.556 135 S HA 0.163 4.632 4.470 -0.001 0.000 0.216 135 S C -0.216 174.377 174.600 -0.011 0.000 0.970 135 S CA -0.924 57.299 58.200 0.038 0.000 0.912 135 S CB -0.511 62.673 63.200 -0.025 0.000 0.790 135 S HN 0.193 nan 8.310 nan 0.000 0.504 136 W N 2.385 123.696 121.300 0.019 0.000 2.606 136 W HA 0.559 5.218 4.660 -0.001 0.000 0.332 136 W C 0.538 177.031 176.519 -0.044 0.000 1.052 136 W CA -0.655 56.686 57.345 -0.006 0.000 1.223 136 W CB 1.224 30.640 29.460 -0.072 0.000 1.383 136 W HN 0.086 nan 8.180 nan 0.000 0.524 137 T N -1.616 113.060 114.554 0.204 0.000 2.849 137 T HA 0.184 4.533 4.350 -0.001 0.000 0.284 137 T C 0.981 175.724 174.700 0.071 0.000 1.004 137 T CA -0.452 61.711 62.100 0.104 0.000 1.021 137 T CB 1.306 70.215 68.868 0.069 0.000 1.013 137 T HN 0.334 nan 8.240 nan 0.000 0.527 138 S N 0.774 116.485 115.700 0.017 0.000 2.423 138 S HA -0.002 4.467 4.470 -0.001 0.000 0.231 138 S C 2.386 176.978 174.600 -0.013 0.000 1.014 138 S CA 0.839 59.024 58.200 -0.026 0.000 0.965 138 S CB -0.820 62.361 63.200 -0.032 0.000 0.785 138 S HN 0.875 nan 8.310 nan 0.000 0.495 139 A N 1.619 124.449 122.820 0.016 0.000 1.897 139 A HA 0.213 4.532 4.320 -0.001 0.000 0.215 139 A C 2.362 179.971 177.584 0.042 0.000 1.181 139 A CA 1.486 53.536 52.037 0.022 0.000 0.620 139 A CB -1.083 17.934 19.000 0.028 0.000 0.821 139 A HN 0.492 nan 8.150 nan 0.000 0.443 140 A N 0.364 123.241 122.820 0.095 0.000 1.883 140 A HA -0.105 4.214 4.320 -0.001 0.000 0.217 140 A C 2.088 179.719 177.584 0.078 0.000 1.186 140 A CA 1.609 53.755 52.037 0.181 0.000 0.624 140 A CB -0.612 18.631 19.000 0.405 0.000 0.822 140 A HN 0.453 nan 8.150 nan 0.000 0.444 141 I N -0.123 120.411 120.570 -0.060 0.000 2.127 141 I HA -0.326 3.844 4.170 -0.001 0.000 0.241 141 I C 3.042 179.104 176.117 -0.093 0.000 1.075 141 I CA 1.612 62.711 61.300 -0.334 0.000 1.334 141 I CB -1.406 36.325 38.000 -0.448 0.000 1.040 141 I HN 0.396 nan 8.210 nan 0.000 0.405 142 A N 1.136 123.933 122.820 -0.039 0.000 1.892 142 A HA -0.245 4.074 4.320 -0.001 0.000 0.218 142 A C 2.603 180.188 177.584 0.001 0.000 1.188 142 A CA 2.612 54.653 52.037 0.008 0.000 0.631 142 A CB -0.962 18.037 19.000 -0.003 0.000 0.822 142 A HN 0.491 nan 8.150 nan 0.000 0.447 143 A N -0.920 121.892 122.820 -0.013 0.000 1.883 143 A HA -0.165 4.154 4.320 -0.001 0.000 0.217 143 A C 2.253 179.771 177.584 -0.110 0.000 1.186 143 A CA 2.085 54.098 52.037 -0.041 0.000 0.624 143 A CB -0.512 18.478 19.000 -0.016 0.000 0.822 143 A HN 0.491 nan 8.150 nan 0.000 0.444 144 M N -0.311 119.227 119.600 -0.103 0.000 2.132 144 M HA -0.106 4.373 4.480 -0.001 0.000 0.263 144 M C 1.760 177.874 176.300 -0.310 0.000 1.065 144 M CA 1.153 56.280 55.300 -0.290 0.000 1.122 144 M CB -1.319 31.260 32.600 -0.035 0.000 1.365 144 M HN 0.485 nan 8.290 nan 0.000 0.411 145 N N 0.335 119.091 118.700 0.094 0.000 2.309 145 N HA -0.093 4.647 4.740 -0.001 0.000 0.182 145 N C 1.698 177.215 175.510 0.012 0.000 1.018 145 N CA 0.816 53.990 53.050 0.207 0.000 0.876 145 N CB 0.016 38.723 38.487 0.368 0.000 0.972 145 N HN 0.432 nan 8.380 nan 0.000 0.434 146 R N 0.821 121.286 120.500 -0.059 0.000 2.115 146 R HA 0.002 4.342 4.340 -0.001 0.000 0.230 146 R C 2.253 178.446 176.300 -0.179 0.000 1.111 146 R CA 1.076 57.119 56.100 -0.095 0.000 0.976 146 R CB -0.209 30.051 30.300 -0.066 0.000 0.870 146 R HN 0.131 nan 8.270 nan 0.000 0.445 147 A N 1.065 123.704 122.820 -0.301 0.000 1.902 147 A HA -0.133 4.186 4.320 -0.001 0.000 0.217 147 A C 1.769 179.138 177.584 -0.358 0.000 1.181 147 A CA 1.191 52.991 52.037 -0.395 0.000 0.623 147 A CB -0.493 18.155 19.000 -0.586 0.000 0.818 147 A HN 0.185 nan 8.150 nan 0.000 0.443 148 F N -0.303 119.545 119.950 -0.170 0.000 2.259 148 F HA -0.001 4.526 4.527 -0.001 0.000 0.298 148 F C 2.028 177.600 175.800 -0.380 0.000 1.088 148 F CA 0.239 58.116 58.000 -0.205 0.000 1.358 148 F CB -0.767 38.156 39.000 -0.128 0.000 1.040 148 F HN 0.140 nan 8.300 nan 0.000 0.505 149 L N 0.239 121.251 121.223 -0.353 0.000 2.013 149 L HA -0.287 4.052 4.340 -0.001 0.000 0.212 149 L C 2.222 178.851 176.870 -0.401 0.000 1.073 149 L CA 2.307 56.739 54.840 -0.681 0.000 0.753 149 L CB -0.508 41.274 42.059 -0.463 0.000 0.890 149 L HN 0.151 nan 8.230 nan 0.000 0.432 150 D N -0.510 119.748 120.400 -0.237 0.000 2.144 150 D HA -0.172 4.467 4.640 -0.001 0.000 0.199 150 D C 2.091 178.312 176.300 -0.131 0.000 0.984 150 D CA 1.404 55.317 54.000 -0.144 0.000 0.834 150 D CB 0.165 40.914 40.800 -0.085 0.000 0.955 150 D HN 0.382 nan 8.370 nan 0.000 0.465 151 A N 0.567 123.302 122.820 -0.141 0.000 1.877 151 A HA -0.003 4.317 4.320 -0.001 0.000 0.216 151 A C 2.417 179.950 177.584 -0.085 0.000 1.186 151 A CA 2.381 54.365 52.037 -0.087 0.000 0.620 151 A CB -1.178 17.809 19.000 -0.021 0.000 0.822 151 A HN 0.323 nan 8.150 nan 0.000 0.443 152 A N -0.287 122.429 122.820 -0.175 0.000 1.933 152 A HA 0.156 4.475 4.320 -0.001 0.000 0.218 152 A C 2.404 179.942 177.584 -0.077 0.000 1.175 152 A CA 2.039 53.982 52.037 -0.156 0.000 0.628 152 A CB -0.884 17.831 19.000 -0.475 0.000 0.814 152 A HN 1.130 nan 8.150 nan 0.000 0.444 153 A N -1.056 121.696 122.820 -0.113 0.000 2.119 153 A HA 0.246 4.566 4.320 -0.001 0.000 0.217 153 A C 1.815 179.383 177.584 -0.027 0.000 1.153 153 A CA 0.932 52.932 52.037 -0.061 0.000 0.692 153 A CB -0.334 18.621 19.000 -0.074 0.000 0.799 153 A HN 0.452 nan 8.150 nan 0.000 0.458 154 L N -1.485 119.721 121.223 -0.027 0.000 2.640 154 L HA 0.240 4.579 4.340 -0.001 0.000 0.230 154 L C 1.437 178.308 176.870 0.001 0.000 1.123 154 L CA 0.476 55.312 54.840 -0.008 0.000 0.900 154 L CB 0.116 42.172 42.059 -0.006 0.000 1.146 154 L HN 0.519 nan 8.230 nan 0.000 0.484 155 G N 1.049 109.854 108.800 0.008 0.000 2.198 155 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.257 155 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.257 155 G C -0.128 174.782 174.900 0.017 0.000 1.042 155 G CA 0.062 45.173 45.100 0.020 0.000 0.791 155 G HN 0.112 nan 8.290 nan 0.000 0.502 156 V N 1.189 121.114 119.914 0.017 0.000 2.384 156 V HA 0.506 4.625 4.120 -0.001 0.000 0.287 156 V C 0.819 176.936 176.094 0.038 0.000 1.020 156 V CA -0.196 62.114 62.300 0.016 0.000 0.850 156 V CB 1.619 33.441 31.823 -0.002 0.000 0.987 156 V HN 0.381 nan 8.190 nan 0.000 0.436 157 T N 4.896 119.475 114.554 0.042 0.000 2.851 157 T HA 0.402 4.752 4.350 -0.001 0.000 0.298 157 T C -0.077 174.654 174.700 0.051 0.000 0.977 157 T CA -0.197 61.937 62.100 0.057 0.000 1.126 157 T CB 1.023 69.915 68.868 0.039 0.000 0.916 157 T HN 0.376 nan 8.240 nan 0.000 0.529 158 V N 5.083 125.025 119.914 0.046 0.000 2.409 158 V HA 0.450 4.569 4.120 -0.001 0.000 0.291 158 V C -0.459 175.621 176.094 -0.023 0.000 1.020 158 V CA -0.900 61.406 62.300 0.010 0.000 0.848 158 V CB 1.047 32.856 31.823 -0.024 0.000 0.990 158 V HN 0.655 nan 8.190 nan 0.000 0.430 159 L N 4.419 125.651 121.223 0.014 0.000 2.341 159 L HA 0.917 5.257 4.340 -0.001 0.000 0.278 159 L C 0.150 177.040 176.870 0.032 0.000 1.005 159 L CA -0.300 54.562 54.840 0.038 0.000 0.818 159 L CB 1.855 43.975 42.059 0.102 0.000 1.259 159 L HN 0.747 nan 8.230 nan 0.000 0.418 160 A N 2.261 125.087 122.820 0.011 0.000 2.374 160 A HA 0.884 5.203 4.320 -0.001 0.000 0.305 160 A C -0.159 177.463 177.584 0.063 0.000 1.053 160 A CA -0.568 51.492 52.037 0.038 0.000 0.726 160 A CB 1.331 20.314 19.000 -0.029 0.000 1.229 160 A HN 0.821 nan 8.150 nan 0.000 0.431 161 A N 1.160 124.030 122.820 0.084 0.000 2.565 161 A HA 0.430 4.750 4.320 -0.001 0.000 0.237 161 A C 1.304 178.949 177.584 0.102 0.000 1.053 161 A CA 0.592 52.677 52.037 0.079 0.000 0.755 161 A CB -0.031 19.003 19.000 0.056 0.000 0.980 161 A HN 2.119 nan 8.150 nan 0.000 0.506 162 A N 2.095 124.981 122.820 0.110 0.000 2.178 162 A HA 0.525 4.845 4.320 -0.001 0.000 0.211 162 A C 1.264 178.934 177.584 0.143 0.000 1.157 162 A CA 1.173 53.283 52.037 0.121 0.000 0.780 162 A CB -0.548 18.519 19.000 0.112 0.000 0.828 162 A HN 2.755 nan 8.150 nan 0.000 0.476 163 G N -1.262 107.627 108.800 0.149 0.000 2.348 163 G HA2 0.128 4.088 3.960 -0.001 0.000 0.606 163 G HA3 0.128 4.088 3.960 -0.001 0.000 0.606 163 G C -0.762 174.239 174.900 0.170 0.000 1.466 163 G CA -0.323 44.866 45.100 0.148 0.000 0.950 163 G HN 0.053 nan 8.290 nan 0.000 0.657 164 N N -0.481 118.303 118.700 0.139 0.000 2.200 164 N HA 0.264 5.003 4.740 -0.001 0.000 0.224 164 N C 0.782 176.256 175.510 -0.061 0.000 1.179 164 N CA 0.403 53.540 53.050 0.145 0.000 0.877 164 N CB 1.244 39.889 38.487 0.263 0.000 1.072 164 N HN 0.350 nan 8.380 nan 0.000 0.519 165 S N 0.024 115.702 115.700 -0.037 0.000 2.751 165 S HA 0.497 4.966 4.470 -0.001 0.000 0.247 165 S C 0.793 175.369 174.600 -0.039 0.000 1.103 165 S CA -0.173 57.997 58.200 -0.050 0.000 1.090 165 S CB 0.603 63.815 63.200 0.019 0.000 0.928 165 S HN 0.547 nan 8.310 nan 0.000 0.502 166 G N 2.498 111.242 108.800 -0.094 0.000 2.645 166 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.246 166 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.246 166 G C 0.830 175.790 174.900 0.100 0.000 1.322 166 G CA 0.002 45.083 45.100 -0.032 0.000 0.898 166 G HN 0.913 nan 8.290 nan 0.000 0.573 167 S N -1.402 114.409 115.700 0.185 0.000 2.515 167 S HA 0.053 4.522 4.470 -0.001 0.000 0.231 167 S C 1.890 176.729 174.600 0.399 0.000 0.987 167 S CA 2.059 60.472 58.200 0.355 0.000 0.936 167 S CB -0.313 63.163 63.200 0.460 0.000 0.766 167 S HN 1.923 nan 8.310 nan 0.000 0.528 168 T N -2.383 112.321 114.554 0.250 0.000 3.054 168 T HA 0.233 4.582 4.350 -0.001 0.000 0.255 168 T C 0.228 175.084 174.700 0.259 0.000 1.035 168 T CA 0.208 62.445 62.100 0.229 0.000 0.941 168 T CB -0.380 68.539 68.868 0.085 0.000 1.026 168 T HN 0.225 nan 8.240 nan 0.000 0.533 169 D N 1.523 122.041 120.400 0.196 0.000 2.737 169 D HA -0.159 4.480 4.640 -0.001 0.000 0.233 169 D C 1.328 177.694 176.300 0.110 0.000 1.155 169 D CA 1.598 55.696 54.000 0.164 0.000 0.667 169 D CB -1.556 39.374 40.800 0.217 0.000 1.060 169 D HN 0.870 nan 8.370 nan 0.000 0.427 170 G N -0.951 107.897 108.800 0.080 0.000 2.199 170 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.254 170 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.254 170 G C 0.141 175.060 174.900 0.031 0.000 0.982 170 G CA 0.456 45.584 45.100 0.047 0.000 0.632 170 G HN 0.544 nan 8.290 nan 0.000 0.529 171 E N 0.762 120.986 120.200 0.040 0.000 2.277 171 E HA 0.455 4.805 4.350 -0.001 0.000 0.274 171 E C 0.080 176.710 176.600 0.051 0.000 1.022 171 E CA -0.449 55.951 56.400 0.001 0.000 0.853 171 E CB 0.632 30.231 29.700 -0.169 0.000 1.086 171 E HN 0.500 nan 8.360 nan 0.000 0.397 172 Q N 2.527 122.344 119.800 0.027 0.000 2.849 172 Q HA 0.142 4.481 4.340 -0.001 0.000 0.289 172 Q C -0.854 175.162 176.000 0.027 0.000 1.012 172 Q CA -0.261 55.554 55.803 0.020 0.000 0.899 172 Q CB 0.327 29.067 28.738 0.004 0.000 1.235 172 Q HN 0.521 nan 8.270 nan 0.000 0.457 173 D N -0.135 120.302 120.400 0.062 0.000 2.540 173 D HA 0.135 4.774 4.640 -0.001 0.000 0.229 173 D C 1.033 177.350 176.300 0.028 0.000 1.250 173 D CA 0.045 54.081 54.000 0.061 0.000 0.817 173 D CB 0.350 41.215 40.800 0.108 0.000 1.060 173 D HN 0.537 nan 8.370 nan 0.000 0.508 174 G N 0.653 109.444 108.800 -0.016 0.000 2.153 174 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.252 174 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.252 174 G C -0.116 174.677 174.900 -0.178 0.000 0.994 174 G CA 0.645 45.689 45.100 -0.094 0.000 0.698 174 G HN 0.422 nan 8.290 nan 0.000 0.521 175 L N -1.224 119.893 121.223 -0.176 0.000 2.303 175 L HA 0.692 5.031 4.340 -0.001 0.000 0.266 175 L C 0.415 176.944 176.870 -0.569 0.000 1.011 175 L CA -1.708 52.929 54.840 -0.339 0.000 0.818 175 L CB 1.215 43.108 42.059 -0.278 0.000 1.326 175 L HN 0.077 nan 8.230 nan 0.000 0.435 176 Y N -0.019 120.115 120.300 -0.277 0.000 2.301 176 Y HA 0.363 4.913 4.550 -0.001 0.000 0.328 176 Y C 0.209 175.872 175.900 -0.396 0.000 1.242 176 Y CA -0.119 57.876 58.100 -0.176 0.000 1.323 176 Y CB 0.613 39.091 38.460 0.029 0.000 1.266 176 Y HN 0.321 nan 8.280 nan 0.000 0.527 177 H N 0.291 119.536 119.070 0.292 0.000 2.961 177 H HA 0.571 5.126 4.556 -0.001 0.000 0.371 177 H C -1.084 174.383 175.328 0.232 0.000 1.190 177 H CA -0.991 55.194 56.048 0.228 0.000 1.138 177 H CB 1.784 31.652 29.762 0.177 0.000 1.816 177 H HN 0.504 nan 8.280 nan 0.000 0.551 178 V N -0.879 119.241 119.914 0.343 0.000 2.881 178 V HA 0.442 4.561 4.120 -0.001 0.000 0.316 178 V C -0.085 176.194 176.094 0.309 0.000 1.070 178 V CA -0.889 61.577 62.300 0.277 0.000 0.976 178 V CB 2.061 34.017 31.823 0.222 0.000 1.038 178 V HN 0.683 nan 8.190 nan 0.000 0.446 179 D N 0.902 121.470 120.400 0.279 0.000 2.253 179 D HA 0.537 5.176 4.640 -0.001 0.000 0.249 179 D C -1.247 175.261 176.300 0.347 0.000 1.049 179 D CA -0.192 54.006 54.000 0.330 0.000 0.929 179 D CB 1.461 42.428 40.800 0.279 0.000 1.176 179 D HN 0.627 nan 8.370 nan 0.000 0.437 180 F N 3.233 123.345 119.950 0.269 0.000 2.495 180 F HA 0.446 4.972 4.527 -0.001 0.000 0.327 180 F C -1.815 174.113 175.800 0.213 0.000 1.103 180 F CA -2.318 55.730 58.000 0.080 0.000 0.949 180 F CB 2.306 41.160 39.000 -0.243 0.000 1.142 180 F HN 0.243 nan 8.300 nan 0.000 0.457 181 P HA 0.043 nan 4.420 nan 0.000 0.245 181 P C 0.648 177.490 177.300 -0.764 0.000 1.212 181 P CA 0.804 63.024 63.100 -1.466 0.000 0.774 181 P CB 0.140 31.260 31.700 -0.967 0.000 0.999 182 A N 1.393 124.049 122.820 -0.272 0.000 1.933 182 A HA -0.041 4.278 4.320 -0.001 0.000 0.218 182 A C 2.400 179.910 177.584 -0.123 0.000 1.175 182 A CA 1.730 53.675 52.037 -0.153 0.000 0.628 182 A CB -1.425 17.579 19.000 0.007 0.000 0.814 182 A HN 0.241 nan 8.150 nan 0.000 0.444 183 A N -0.280 122.531 122.820 -0.015 0.000 2.131 183 A HA 0.072 4.391 4.320 -0.001 0.000 0.220 183 A C 1.623 179.073 177.584 -0.223 0.000 1.158 183 A CA 1.097 53.168 52.037 0.058 0.000 0.665 183 A CB -0.873 18.323 19.000 0.326 0.000 0.795 183 A HN 0.627 nan 8.150 nan 0.000 0.460 184 S N 0.246 115.695 115.700 -0.419 0.000 2.546 184 S HA 0.195 4.665 4.470 -0.001 0.000 0.290 184 S C -1.364 172.973 174.600 -0.438 0.000 1.290 184 S CA -0.848 56.956 58.200 -0.659 0.000 1.069 184 S CB 0.673 63.579 63.200 -0.491 0.000 0.846 184 S HN 0.211 nan 8.310 nan 0.000 0.495 185 P HA 0.018 nan 4.420 nan 0.000 0.230 185 P C -0.088 177.154 177.300 -0.097 0.000 1.158 185 P CA 0.918 63.930 63.100 -0.146 0.000 0.769 185 P CB -0.048 31.503 31.700 -0.249 0.000 0.807 186 Y N -1.688 118.567 120.300 -0.075 0.000 2.485 186 Y HA 0.189 4.738 4.550 -0.001 0.000 0.260 186 Y C 0.831 176.617 175.900 -0.191 0.000 1.173 186 Y CA -0.231 57.732 58.100 -0.228 0.000 1.252 186 Y CB 0.274 38.538 38.460 -0.326 0.000 1.123 186 Y HN -0.291 nan 8.280 nan 0.000 0.524 187 V N 1.631 121.470 119.914 -0.124 0.000 2.513 187 V HA 0.243 4.362 4.120 -0.001 0.000 0.299 187 V C -0.659 175.402 176.094 -0.055 0.000 1.035 187 V CA -1.167 60.991 62.300 -0.238 0.000 0.889 187 V CB 2.031 33.510 31.823 -0.573 0.000 0.988 187 V HN -0.077 nan 8.190 nan 0.000 0.440 188 L N 5.800 127.013 121.223 -0.017 0.000 2.312 188 L HA 0.649 4.988 4.340 -0.001 0.000 0.287 188 L C 0.495 177.396 176.870 0.051 0.000 1.091 188 L CA -0.452 54.414 54.840 0.044 0.000 0.846 188 L CB 0.060 42.147 42.059 0.047 0.000 1.219 188 L HN 0.725 nan 8.230 nan 0.000 0.439 189 A N 5.207 128.072 122.820 0.075 0.000 2.404 189 A HA 0.406 4.726 4.320 -0.001 0.000 0.273 189 A C -0.008 177.646 177.584 0.116 0.000 1.144 189 A CA -0.300 51.784 52.037 0.077 0.000 0.806 189 A CB -0.357 18.700 19.000 0.095 0.000 1.080 189 A HN 0.847 nan 8.150 nan 0.000 0.509 190 C N 3.715 123.084 119.300 0.115 0.000 2.239 190 C HA 0.632 5.091 4.460 -0.001 0.000 0.323 190 C C 1.302 176.362 174.990 0.117 0.000 1.205 190 C CA -0.421 58.682 59.018 0.143 0.000 1.584 190 C CB -0.134 27.681 27.740 0.124 0.000 2.201 190 C HN 1.040 nan 8.230 nan 0.000 0.475 191 G N 2.089 110.959 108.800 0.116 0.000 2.557 191 G HA2 0.668 4.628 3.960 -0.001 0.000 0.292 191 G HA3 0.668 4.628 3.960 -0.001 0.000 0.292 191 G C -0.136 174.855 174.900 0.151 0.000 1.237 191 G CA -0.278 44.892 45.100 0.116 0.000 0.978 191 G HN 0.982 nan 8.290 nan 0.000 0.498 192 G N -1.302 107.630 108.800 0.221 0.000 2.571 192 G HA2 0.649 4.608 3.960 -0.001 0.000 0.304 192 G HA3 0.649 4.608 3.960 -0.001 0.000 0.304 192 G C -0.330 174.750 174.900 0.300 0.000 1.314 192 G CA 0.178 45.440 45.100 0.269 0.000 0.975 192 G HN 0.962 nan 8.290 nan 0.000 0.485 193 T N -1.584 113.109 114.554 0.232 0.000 2.910 193 T HA 0.702 5.052 4.350 -0.001 0.000 0.287 193 T C -0.315 174.499 174.700 0.190 0.000 1.050 193 T CA -0.940 61.296 62.100 0.228 0.000 1.011 193 T CB 2.198 71.187 68.868 0.203 0.000 1.195 193 T HN 0.584 nan 8.240 nan 0.000 0.540 194 R N 0.786 121.396 120.500 0.183 0.000 2.265 194 R HA 0.611 4.951 4.340 -0.001 0.000 0.328 194 R C -1.577 174.796 176.300 0.122 0.000 0.969 194 R CA -0.839 55.340 56.100 0.131 0.000 0.832 194 R CB 0.694 31.082 30.300 0.147 0.000 1.139 194 R HN 0.599 nan 8.270 nan 0.000 0.457 195 L N 5.493 126.777 121.223 0.102 0.000 2.313 195 L HA 0.422 4.762 4.340 -0.001 0.000 0.283 195 L C -1.332 175.617 176.870 0.132 0.000 1.013 195 L CA -0.539 54.351 54.840 0.084 0.000 0.816 195 L CB 2.052 44.096 42.059 -0.025 0.000 1.236 195 L HN 0.380 nan 8.230 nan 0.000 0.419 196 V N 5.178 125.148 119.914 0.093 0.000 2.350 196 V HA 0.941 5.060 4.120 -0.001 0.000 0.285 196 V C 0.033 176.149 176.094 0.038 0.000 1.014 196 V CA -0.031 62.335 62.300 0.109 0.000 0.831 196 V CB 0.578 32.441 31.823 0.065 0.000 1.000 196 V HN 0.987 nan 8.190 nan 0.000 0.433 197 A N 4.065 126.911 122.820 0.043 0.000 2.609 197 A HA 1.038 5.358 4.320 -0.001 0.000 0.291 197 A C -0.531 177.041 177.584 -0.020 0.000 1.096 197 A CA -0.170 51.816 52.037 -0.085 0.000 0.684 197 A CB 2.270 21.099 19.000 -0.285 0.000 1.282 197 A HN 1.332 nan 8.150 nan 0.000 0.412 198 S N -1.283 114.380 115.700 -0.062 0.000 2.578 198 S HA 0.595 5.064 4.470 -0.001 0.000 0.272 198 S C 0.544 175.105 174.600 -0.064 0.000 1.145 198 S CA 0.250 58.425 58.200 -0.041 0.000 0.835 198 S CB 0.760 63.956 63.200 -0.005 0.000 1.104 198 S HN 2.745 nan 8.310 nan 0.000 0.458 199 G N 0.292 109.057 108.800 -0.057 0.000 2.269 199 G HA2 0.159 4.118 3.960 -0.001 0.000 0.277 199 G HA3 0.159 4.118 3.960 -0.001 0.000 0.277 199 G C 1.524 176.385 174.900 -0.065 0.000 1.008 199 G CA 1.252 46.321 45.100 -0.052 0.000 0.774 199 G HN 2.622 nan 8.290 nan 0.000 0.511 200 G N -1.509 107.234 108.800 -0.096 0.000 2.176 200 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.253 200 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.253 200 G C 0.309 175.151 174.900 -0.096 0.000 0.979 200 G CA 1.123 46.163 45.100 -0.099 0.000 0.641 200 G HN 1.316 nan 8.290 nan 0.000 0.530 201 R N 0.373 120.815 120.500 -0.097 0.000 2.343 201 R HA 0.653 4.992 4.340 -0.001 0.000 0.320 201 R C 0.161 176.389 176.300 -0.120 0.000 0.956 201 R CA -0.985 55.059 56.100 -0.094 0.000 0.836 201 R CB 0.433 30.695 30.300 -0.064 0.000 1.151 201 R HN 0.203 nan 8.270 nan 0.000 0.450 202 I N 4.601 125.079 120.570 -0.153 0.000 2.452 202 I HA 0.053 4.222 4.170 -0.001 0.000 0.287 202 I C 1.100 177.145 176.117 -0.120 0.000 1.079 202 I CA 0.097 61.295 61.300 -0.170 0.000 1.387 202 I CB 1.664 39.512 38.000 -0.253 0.000 1.404 202 I HN 0.832 nan 8.210 nan 0.000 0.522 203 A N 5.756 128.540 122.820 -0.060 0.000 1.911 203 A HA 0.082 4.402 4.320 -0.001 0.000 0.212 203 A C 0.839 178.435 177.584 0.020 0.000 1.189 203 A CA 0.767 52.793 52.037 -0.018 0.000 0.639 203 A CB 0.236 19.234 19.000 -0.003 0.000 0.839 203 A HN 0.745 nan 8.150 nan 0.000 0.449 204 Q N -0.871 118.954 119.800 0.041 0.000 2.340 204 Q HA 0.488 4.827 4.340 -0.001 0.000 0.276 204 Q C -2.060 174.023 176.000 0.139 0.000 1.048 204 Q CA -0.393 55.467 55.803 0.095 0.000 0.832 204 Q CB 1.883 30.665 28.738 0.074 0.000 1.373 204 Q HN 0.401 nan 8.270 nan 0.000 0.409 205 E N 2.180 122.505 120.200 0.209 0.000 2.317 205 E HA 0.359 4.708 4.350 -0.001 0.000 0.270 205 E C -1.445 175.250 176.600 0.159 0.000 0.899 205 E CA -0.157 56.377 56.400 0.224 0.000 0.814 205 E CB 1.449 31.375 29.700 0.377 0.000 1.296 205 E HN 0.747 nan 8.360 nan 0.000 0.404 206 T N -0.990 113.643 114.554 0.132 0.000 2.773 206 T HA 0.518 4.868 4.350 -0.001 0.000 0.278 206 T C -0.001 174.767 174.700 0.114 0.000 1.011 206 T CA -0.736 61.423 62.100 0.099 0.000 1.014 206 T CB 1.010 69.931 68.868 0.088 0.000 1.293 206 T HN 0.113 nan 8.240 nan 0.000 0.554 207 V N 1.348 121.316 119.914 0.090 0.000 2.655 207 V HA 0.141 4.261 4.120 -0.001 0.000 0.300 207 V C 0.010 176.220 176.094 0.194 0.000 1.044 207 V CA -0.525 61.841 62.300 0.110 0.000 1.095 207 V CB 0.022 31.876 31.823 0.052 0.000 0.952 207 V HN 0.825 nan 8.190 nan 0.000 0.485 208 W N 7.144 128.468 121.300 0.039 0.000 2.446 208 W HA 0.353 5.012 4.660 -0.001 0.000 0.316 208 W C 0.038 176.580 176.519 0.038 0.000 1.376 208 W CA -0.597 56.773 57.345 0.043 0.000 1.300 208 W CB -0.072 29.418 29.460 0.050 0.000 1.351 208 W HN 0.622 nan 8.180 nan 0.000 0.530 209 N N 5.242 123.894 118.700 -0.081 0.000 2.629 209 N HA 0.098 4.838 4.740 -0.001 0.000 0.277 209 N C -1.156 174.276 175.510 -0.130 0.000 1.188 209 N CA -0.194 52.682 53.050 -0.290 0.000 0.835 209 N CB 0.888 39.298 38.487 -0.127 0.000 1.420 209 N HN 0.367 nan 8.380 nan 0.000 0.542 210 D N 2.092 122.378 120.400 -0.190 0.000 2.501 210 D HA 0.326 4.966 4.640 -0.001 0.000 0.226 210 D C 1.088 177.374 176.300 -0.023 0.000 1.198 210 D CA 0.451 54.471 54.000 0.033 0.000 0.830 210 D CB 0.311 41.252 40.800 0.235 0.000 1.014 210 D HN 0.865 nan 8.370 nan 0.000 0.496 211 G N 1.668 110.410 108.800 -0.096 0.000 2.632 211 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.224 211 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.224 211 G C -2.038 172.813 174.900 -0.081 0.000 1.341 211 G CA -0.446 44.612 45.100 -0.071 0.000 0.880 211 G HN 0.032 nan 8.290 nan 0.000 0.566 212 P HA 0.112 nan 4.420 nan 0.000 0.217 212 P C 1.192 178.485 177.300 -0.011 0.000 1.154 212 P CA 1.544 64.624 63.100 -0.032 0.000 0.841 212 P CB 0.056 31.745 31.700 -0.019 0.000 0.788 213 D N -0.680 119.720 120.400 0.001 0.000 2.117 213 D HA -0.059 4.580 4.640 -0.001 0.000 0.198 213 D C 2.198 178.523 176.300 0.043 0.000 0.982 213 D CA 1.628 55.640 54.000 0.020 0.000 0.828 213 D CB -0.965 39.847 40.800 0.020 0.000 0.967 213 D HN 0.148 nan 8.370 nan 0.000 0.464 214 G N -0.769 108.061 108.800 0.049 0.000 2.492 214 G HA2 0.342 4.301 3.960 -0.001 0.000 0.214 214 G HA3 0.342 4.301 3.960 -0.001 0.000 0.214 214 G C 0.765 175.767 174.900 0.171 0.000 1.147 214 G CA 0.599 45.771 45.100 0.120 0.000 0.809 214 G HN 0.615 nan 8.290 nan 0.000 0.533 215 G N -1.551 107.243 108.800 -0.010 0.000 2.699 215 G HA2 0.478 4.438 3.960 -0.001 0.000 0.686 215 G HA3 0.478 4.438 3.960 -0.001 0.000 0.686 215 G C -0.471 173.915 174.900 -0.856 0.000 1.301 215 G CA -0.288 44.707 45.100 -0.175 0.000 0.816 215 G HN 1.640 nan 8.290 nan 0.000 0.595 216 A N -0.478 121.568 122.820 -1.289 0.000 2.608 216 A HA 0.957 5.276 4.320 -0.001 0.000 0.292 216 A C 0.082 177.045 177.584 -1.034 0.000 1.066 216 A CA 0.745 51.826 52.037 -1.593 0.000 0.676 216 A CB 1.330 19.903 19.000 -0.712 0.000 1.277 216 A HN 2.401 nan 8.150 nan 0.000 0.413 217 T N 0.855 115.090 114.554 -0.531 0.000 2.928 217 T HA 0.454 4.803 4.350 -0.001 0.000 0.305 217 T C 0.978 175.682 174.700 0.006 0.000 1.035 217 T CA 0.866 62.982 62.100 0.027 0.000 1.145 217 T CB -0.105 68.891 68.868 0.213 0.000 0.963 217 T HN 1.575 nan 8.240 nan 0.000 0.545 218 G N 2.051 110.899 108.800 0.079 0.000 2.667 218 G HA2 0.552 4.511 3.960 -0.001 0.000 0.250 218 G HA3 0.552 4.511 3.960 -0.001 0.000 0.250 218 G C 0.252 175.196 174.900 0.074 0.000 1.212 218 G CA -0.075 45.079 45.100 0.090 0.000 0.874 218 G HN 1.238 nan 8.290 nan 0.000 0.561 219 G N -2.053 106.793 108.800 0.077 0.000 2.358 219 G HA2 0.699 4.659 3.960 -0.001 0.000 0.303 219 G HA3 0.699 4.659 3.960 -0.001 0.000 0.303 219 G C -0.237 174.623 174.900 -0.067 0.000 1.537 219 G CA 0.475 45.575 45.100 0.001 0.000 0.928 219 G HN 2.248 nan 8.290 nan 0.000 0.656 220 G N -1.923 106.727 108.800 -0.250 0.000 2.366 220 G HA2 0.537 4.496 3.960 -0.001 0.000 0.190 220 G HA3 0.537 4.496 3.960 -0.001 0.000 0.190 220 G C -1.623 173.103 174.900 -0.291 0.000 1.299 220 G CA 0.539 45.264 45.100 -0.624 0.000 1.056 220 G HN 1.792 nan 8.290 nan 0.000 0.468 221 V N 0.864 120.697 119.914 -0.135 0.000 2.525 221 V HA 0.663 4.783 4.120 -0.001 0.000 0.299 221 V C 0.666 176.807 176.094 0.078 0.000 1.034 221 V CA -0.160 62.136 62.300 -0.007 0.000 0.863 221 V CB 1.244 33.064 31.823 -0.004 0.000 0.999 221 V HN 1.136 nan 8.190 nan 0.000 0.423 222 S N 4.195 119.955 115.700 0.100 0.000 2.560 222 S HA 0.168 4.637 4.470 -0.001 0.000 0.284 222 S C 1.279 175.944 174.600 0.109 0.000 1.327 222 S CA -0.255 58.042 58.200 0.162 0.000 1.055 222 S CB 0.364 63.721 63.200 0.261 0.000 0.868 222 S HN 0.706 nan 8.310 nan 0.000 0.506 223 R N 3.822 124.384 120.500 0.104 0.000 2.265 223 R HA 0.227 4.567 4.340 -0.001 0.000 0.194 223 R C 1.546 177.829 176.300 -0.029 0.000 0.931 223 R CA 0.402 56.530 56.100 0.047 0.000 1.032 223 R CB -0.223 30.117 30.300 0.066 0.000 0.980 223 R HN 0.638 nan 8.270 nan 0.000 0.497 224 I N 0.030 120.552 120.570 -0.081 0.000 2.628 224 I HA 0.021 4.190 4.170 -0.001 0.000 0.255 224 I C 0.102 175.906 176.117 -0.523 0.000 1.119 224 I CA 0.595 61.669 61.300 -0.376 0.000 1.448 224 I CB 0.183 37.797 38.000 -0.644 0.000 1.133 224 I HN -0.134 nan 8.210 nan 0.000 0.438 225 F N 2.270 122.220 119.950 0.000 0.000 2.420 225 F HA 0.380 4.907 4.527 -0.001 0.000 0.342 225 F C -2.173 173.583 175.800 -0.072 0.000 1.113 225 F CA -3.004 54.980 58.000 -0.027 0.000 1.059 225 F CB 0.088 39.082 39.000 -0.011 0.000 1.128 225 F HN -0.222 nan 8.300 nan 0.000 0.475 226 P HA 0.052 nan 4.420 nan 0.000 0.272 226 P C -0.471 176.758 177.300 -0.120 0.000 1.230 226 P CA -0.495 62.581 63.100 -0.039 0.000 0.788 226 P CB 0.691 32.358 31.700 -0.055 0.000 0.949 227 L N 3.833 124.944 121.223 -0.186 0.000 2.640 227 L HA 0.086 4.425 4.340 -0.001 0.000 0.280 227 L C -2.205 174.408 176.870 -0.428 0.000 1.229 227 L CA -0.683 53.965 54.840 -0.320 0.000 0.919 227 L CB -1.026 40.855 42.059 -0.297 0.000 1.168 227 L HN 0.304 nan 8.230 nan 0.000 0.496 228 P HA 0.194 nan 4.420 nan 0.000 0.274 228 P C -0.120 176.685 177.300 -0.825 0.000 1.237 228 P CA -0.091 62.463 63.100 -0.911 0.000 0.793 228 P CB 0.861 31.483 31.700 -1.798 0.000 0.977 229 A N 2.530 125.018 122.820 -0.553 0.000 1.933 229 A HA -0.133 4.186 4.320 -0.001 0.000 0.218 229 A C 1.531 178.960 177.584 -0.258 0.000 1.175 229 A CA 1.181 53.046 52.037 -0.286 0.000 0.628 229 A CB -1.418 17.526 19.000 -0.092 0.000 0.814 229 A HN 0.815 nan 8.150 nan 0.000 0.444 230 W N -0.897 120.295 121.300 -0.179 0.000 2.961 230 W HA 0.115 4.775 4.660 -0.001 0.000 0.240 230 W C 0.744 177.042 176.519 -0.369 0.000 1.305 230 W CA 0.530 57.752 57.345 -0.205 0.000 1.465 230 W CB -0.654 28.685 29.460 -0.202 0.000 1.135 230 W HN 0.423 nan 8.180 nan 0.000 0.688 231 Q N 0.475 119.880 119.800 -0.657 0.000 2.247 231 Q HA -0.009 4.330 4.340 -0.001 0.000 0.211 231 Q C 1.692 177.433 176.000 -0.432 0.000 0.861 231 Q CA -0.080 55.302 55.803 -0.703 0.000 0.949 231 Q CB 0.355 28.481 28.738 -1.021 0.000 1.115 231 Q HN 0.202 nan 8.270 nan 0.000 0.507 232 E N 0.241 120.253 120.200 -0.312 0.000 2.265 232 E HA -0.163 4.186 4.350 -0.001 0.000 0.196 232 E C 0.839 177.259 176.600 -0.299 0.000 0.996 232 E CA 1.027 57.254 56.400 -0.287 0.000 0.832 232 E CB 0.183 29.741 29.700 -0.235 0.000 0.756 232 E HN 0.436 nan 8.360 nan 0.000 0.491 233 H N -1.505 117.500 119.070 -0.108 0.000 2.592 233 H HA 0.323 4.878 4.556 -0.001 0.000 0.279 233 H C 0.940 176.250 175.328 -0.029 0.000 1.089 233 H CA 0.299 56.317 56.048 -0.049 0.000 1.150 233 H CB 0.803 30.564 29.762 -0.002 0.000 1.575 233 H HN 0.043 nan 8.280 nan 0.000 0.547 234 A N 0.864 123.681 122.820 -0.005 0.000 2.275 234 A HA -0.011 4.309 4.320 -0.001 0.000 0.212 234 A C 0.934 178.515 177.584 -0.005 0.000 1.201 234 A CA 0.250 52.299 52.037 0.020 0.000 0.843 234 A CB -0.107 18.849 19.000 -0.073 0.000 0.873 234 A HN 0.435 nan 8.150 nan 0.000 0.492 235 N N -0.961 117.705 118.700 -0.055 0.000 2.780 235 N HA -0.138 4.601 4.740 -0.001 0.000 0.247 235 N C -0.730 174.757 175.510 -0.039 0.000 1.076 235 N CA 0.818 53.860 53.050 -0.014 0.000 0.688 235 N CB -2.074 36.462 38.487 0.081 0.000 0.957 235 N HN 0.164 nan 8.380 nan 0.000 0.551 236 V N 1.675 121.434 119.914 -0.258 0.000 2.488 236 V HA 0.401 4.520 4.120 -0.001 0.000 0.277 236 V C -0.966 175.059 176.094 -0.114 0.000 1.046 236 V CA -0.778 61.324 62.300 -0.331 0.000 0.986 236 V CB 0.917 32.347 31.823 -0.655 0.000 0.989 236 V HN 0.316 nan 8.190 nan 0.000 0.475 237 P HA 0.459 nan 4.420 nan 0.000 0.279 237 P C -2.818 174.490 177.300 0.012 0.000 1.282 237 P CA -1.810 61.311 63.100 0.036 0.000 0.788 237 P CB 0.125 31.898 31.700 0.121 0.000 1.139 238 P HA 0.113 nan 4.420 nan 0.000 0.276 238 P C -0.010 177.338 177.300 0.080 0.000 1.252 238 P CA -0.350 62.764 63.100 0.023 0.000 0.802 238 P CB 0.212 31.920 31.700 0.013 0.000 1.035 239 S N 0.410 116.157 115.700 0.079 0.000 2.558 239 S HA 0.172 4.641 4.470 -0.001 0.000 0.288 239 S C 1.468 176.144 174.600 0.127 0.000 1.318 239 S CA 0.097 58.385 58.200 0.146 0.000 1.056 239 S CB -0.301 62.973 63.200 0.122 0.000 0.853 239 S HN 0.468 nan 8.310 nan 0.000 0.505 240 A N 4.734 127.625 122.820 0.118 0.000 2.172 240 A HA 0.037 4.356 4.320 -0.001 0.000 0.216 240 A C 0.972 178.597 177.584 0.069 0.000 1.154 240 A CA 0.464 52.450 52.037 -0.085 0.000 0.701 240 A CB -0.571 18.020 19.000 -0.681 0.000 0.789 240 A HN 0.820 nan 8.150 nan 0.000 0.465 241 N N 0.991 119.778 118.700 0.145 0.000 2.444 241 N HA 0.219 4.958 4.740 -0.001 0.000 0.255 241 N C -2.747 172.804 175.510 0.068 0.000 1.255 241 N CA -1.557 51.571 53.050 0.131 0.000 0.933 241 N CB -0.043 38.503 38.487 0.098 0.000 1.143 241 N HN 0.120 nan 8.380 nan 0.000 0.453 242 P HA -0.011 nan 4.420 nan 0.000 0.258 242 P C 0.701 178.016 177.300 0.025 0.000 1.172 242 P CA 0.716 63.834 63.100 0.029 0.000 0.762 242 P CB 0.128 31.840 31.700 0.020 0.000 0.764 243 G N 3.612 112.424 108.800 0.020 0.000 2.541 243 G HA2 -0.037 3.922 3.960 -0.001 0.000 0.201 243 G HA3 -0.037 3.922 3.960 -0.001 0.000 0.201 243 G C 0.471 175.379 174.900 0.014 0.000 1.026 243 G CA 0.210 45.319 45.100 0.015 0.000 0.687 243 G HN 0.894 nan 8.290 nan 0.000 0.492 244 A N -0.556 122.278 122.820 0.024 0.000 2.739 244 A HA 0.180 4.500 4.320 -0.001 0.000 0.296 244 A C 1.284 178.876 177.584 0.013 0.000 1.488 244 A CA 1.936 53.986 52.037 0.022 0.000 0.746 244 A CB -2.102 16.906 19.000 0.013 0.000 1.047 244 A HN 2.550 nan 8.150 nan 0.000 0.477 245 S N 0.042 115.751 115.700 0.016 0.000 2.560 245 S HA 0.502 4.971 4.470 -0.001 0.000 0.284 245 S C 0.432 175.029 174.600 -0.005 0.000 1.327 245 S CA 0.584 58.785 58.200 0.002 0.000 1.055 245 S CB 1.155 64.358 63.200 0.006 0.000 0.868 245 S HN 1.484 nan 8.310 nan 0.000 0.506 246 S N 1.873 117.556 115.700 -0.028 0.000 2.584 246 S HA 0.746 5.216 4.470 -0.001 0.000 0.273 246 S C 0.290 174.857 174.600 -0.055 0.000 1.311 246 S CA 0.122 58.291 58.200 -0.052 0.000 1.034 246 S CB 0.407 63.559 63.200 -0.079 0.000 0.939 246 S HN 1.220 nan 8.310 nan 0.000 0.513 247 G N 2.278 111.033 108.800 -0.074 0.000 2.600 247 G HA2 0.400 4.360 3.960 -0.001 0.000 0.293 247 G HA3 0.400 4.360 3.960 -0.001 0.000 0.293 247 G C -1.347 173.486 174.900 -0.111 0.000 1.408 247 G CA -0.868 44.198 45.100 -0.056 0.000 0.782 247 G HN 0.632 nan 8.290 nan 0.000 0.482 248 R N 0.300 120.754 120.500 -0.077 0.000 2.484 248 R HA 0.284 4.624 4.340 -0.001 0.000 0.293 248 R C 0.458 176.699 176.300 -0.098 0.000 1.023 248 R CA 0.343 56.346 56.100 -0.162 0.000 1.037 248 R CB 0.108 30.349 30.300 -0.099 0.000 0.951 248 R HN 0.687 nan 8.270 nan 0.000 0.418 249 G N 2.999 111.692 108.800 -0.178 0.000 2.353 249 G HA2 0.424 4.383 3.960 -0.001 0.000 0.284 249 G HA3 0.424 4.383 3.960 -0.001 0.000 0.284 249 G C -0.751 174.369 174.900 0.367 0.000 1.172 249 G CA -0.550 44.582 45.100 0.054 0.000 0.854 249 G HN 0.441 nan 8.290 nan 0.000 0.485 250 V N 4.998 125.114 119.914 0.337 0.000 2.581 250 V HA 0.525 4.645 4.120 -0.001 0.000 0.303 250 V C -1.710 174.458 176.094 0.123 0.000 1.041 250 V CA -1.425 61.021 62.300 0.244 0.000 0.907 250 V CB 2.237 34.142 31.823 0.137 0.000 0.994 250 V HN 0.704 nan 8.190 nan 0.000 0.442 251 P HA 0.386 nan 4.420 nan 0.000 0.321 251 P C -0.370 177.088 177.300 0.263 0.000 1.304 251 P CA -0.238 62.946 63.100 0.140 0.000 0.759 251 P CB 1.720 33.460 31.700 0.066 0.000 1.385 252 D N -1.292 119.257 120.400 0.247 0.000 2.323 252 D HA 0.201 4.841 4.640 -0.001 0.000 0.218 252 D C 0.700 177.008 176.300 0.013 0.000 0.973 252 D CA 1.022 55.191 54.000 0.281 0.000 0.890 252 D CB 0.438 41.407 40.800 0.280 0.000 1.011 252 D HN 0.218 nan 8.370 nan 0.000 0.499 253 L N -0.437 120.798 121.223 0.020 0.000 2.341 253 L HA 0.706 5.045 4.340 -0.001 0.000 0.254 253 L C -1.084 175.861 176.870 0.125 0.000 1.040 253 L CA -0.953 53.885 54.840 -0.003 0.000 0.837 253 L CB 2.462 44.501 42.059 -0.034 0.000 1.425 253 L HN -0.154 nan 8.230 nan 0.000 0.414 254 A N -0.114 122.813 122.820 0.179 0.000 2.606 254 A HA 0.938 5.257 4.320 -0.001 0.000 0.293 254 A C -0.908 176.837 177.584 0.267 0.000 1.082 254 A CA -0.034 52.130 52.037 0.211 0.000 0.685 254 A CB 2.015 21.072 19.000 0.095 0.000 1.284 254 A HN 0.799 nan 8.150 nan 0.000 0.408 255 G N -0.149 108.755 108.800 0.174 0.000 2.708 255 G HA2 0.482 4.442 3.960 -0.001 0.000 0.289 255 G HA3 0.482 4.442 3.960 -0.001 0.000 0.289 255 G C -0.939 174.096 174.900 0.225 0.000 1.416 255 G CA -0.776 44.435 45.100 0.185 0.000 0.829 255 G HN 0.962 nan 8.290 nan 0.000 0.480 256 N N -0.312 118.589 118.700 0.334 0.000 2.359 256 N HA 0.328 5.068 4.740 -0.001 0.000 0.261 256 N C 0.742 176.322 175.510 0.116 0.000 1.267 256 N CA 1.092 54.237 53.050 0.158 0.000 0.864 256 N CB 1.102 39.594 38.487 0.008 0.000 1.063 256 N HN 0.780 nan 8.380 nan 0.000 0.474 257 A N 2.736 125.504 122.820 -0.087 0.000 2.664 257 A HA 0.102 4.422 4.320 -0.001 0.000 0.222 257 A C 0.069 177.050 177.584 -1.005 0.000 1.320 257 A CA -0.348 51.457 52.037 -0.387 0.000 1.029 257 A CB -0.014 18.752 19.000 -0.390 0.000 1.318 257 A HN 0.647 nan 8.150 nan 0.000 0.589 258 D N 1.370 121.285 120.400 -0.809 0.000 2.382 258 D HA 0.217 4.856 4.640 -0.001 0.000 0.259 258 D C -1.669 174.386 176.300 -0.407 0.000 1.224 258 D CA -1.535 51.980 54.000 -0.808 0.000 0.894 258 D CB 1.377 42.050 40.800 -0.212 0.000 1.127 258 D HN 0.052 nan 8.370 nan 0.000 0.487 259 P HA -0.067 nan 4.420 nan 0.000 0.218 259 P C 0.894 178.137 177.300 -0.094 0.000 1.149 259 P CA 0.980 63.992 63.100 -0.147 0.000 0.817 259 P CB 0.158 31.813 31.700 -0.075 0.000 0.785 260 A N -0.471 122.315 122.820 -0.057 0.000 2.131 260 A HA -0.100 4.219 4.320 -0.001 0.000 0.220 260 A C 1.462 178.989 177.584 -0.094 0.000 1.158 260 A CA 1.996 54.007 52.037 -0.044 0.000 0.665 260 A CB -1.435 17.572 19.000 0.011 0.000 0.795 260 A HN 0.346 nan 8.150 nan 0.000 0.460 261 T N -3.528 110.952 114.554 -0.123 0.000 3.533 261 T HA 0.516 4.866 4.350 -0.001 0.000 0.275 261 T C 0.611 175.187 174.700 -0.206 0.000 1.000 261 T CA 0.156 62.149 62.100 -0.178 0.000 1.015 261 T CB 0.065 68.895 68.868 -0.064 0.000 1.153 261 T HN 0.423 nan 8.240 nan 0.000 0.504 262 G N 0.675 109.357 108.800 -0.197 0.000 2.583 262 G HA2 0.468 4.427 3.960 -0.001 0.000 0.275 262 G HA3 0.468 4.427 3.960 -0.001 0.000 0.275 262 G C -1.030 173.762 174.900 -0.180 0.000 1.342 262 G CA -0.653 44.359 45.100 -0.147 0.000 1.030 262 G HN 0.478 nan 8.290 nan 0.000 0.520 263 Y N -0.386 119.882 120.300 -0.054 0.000 2.330 263 Y HA 0.350 4.900 4.550 -0.001 0.000 0.336 263 Y C 0.610 176.497 175.900 -0.022 0.000 1.036 263 Y CA -0.433 57.660 58.100 -0.012 0.000 1.125 263 Y CB 1.533 39.975 38.460 -0.030 0.000 1.194 263 Y HN 0.434 nan 8.280 nan 0.000 0.469 264 E N 3.123 123.414 120.200 0.152 0.000 2.223 264 E HA 0.447 4.796 4.350 -0.001 0.000 0.282 264 E C -0.713 175.992 176.600 0.174 0.000 1.046 264 E CA -0.382 56.089 56.400 0.118 0.000 0.857 264 E CB 0.754 30.517 29.700 0.104 0.000 1.055 264 E HN 0.493 nan 8.360 nan 0.000 0.409 265 V N -0.199 119.724 119.914 0.015 0.000 3.165 265 V HA 0.638 4.757 4.120 -0.001 0.000 0.309 265 V C -0.878 175.078 176.094 -0.230 0.000 1.267 265 V CA -1.004 61.125 62.300 -0.286 0.000 1.067 265 V CB 2.073 33.650 31.823 -0.410 0.000 1.082 265 V HN 0.253 nan 8.190 nan 0.000 0.451 266 V N 2.789 122.455 119.914 -0.412 0.000 2.409 266 V HA 0.518 4.637 4.120 -0.001 0.000 0.290 266 V C -0.790 175.182 176.094 -0.204 0.000 1.017 266 V CA -0.263 61.919 62.300 -0.197 0.000 0.841 266 V CB 1.298 33.069 31.823 -0.086 0.000 1.003 266 V HN 0.684 nan 8.190 nan 0.000 0.426 267 I N 3.614 124.110 120.570 -0.124 0.000 2.330 267 I HA 0.410 4.579 4.170 -0.001 0.000 0.289 267 I C 0.391 176.480 176.117 -0.047 0.000 1.001 267 I CA -0.363 60.886 61.300 -0.085 0.000 1.193 267 I CB 1.008 38.968 38.000 -0.067 0.000 1.345 267 I HN 0.614 nan 8.210 nan 0.000 0.461 268 D N 5.876 126.257 120.400 -0.031 0.000 2.706 268 D HA -0.196 4.444 4.640 -0.001 0.000 0.230 268 D C 1.343 177.633 176.300 -0.015 0.000 1.184 268 D CA 1.614 55.605 54.000 -0.015 0.000 0.628 268 D CB -0.807 39.988 40.800 -0.008 0.000 1.019 268 D HN 1.136 nan 8.370 nan 0.000 0.415 269 G N -0.562 108.226 108.800 -0.019 0.000 2.217 269 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.246 269 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.246 269 G C 0.025 174.917 174.900 -0.013 0.000 0.990 269 G CA 0.260 45.354 45.100 -0.011 0.000 0.627 269 G HN 0.483 nan 8.290 nan 0.000 0.522 270 E N 1.030 121.217 120.200 -0.022 0.000 2.134 270 E HA 0.581 4.930 4.350 -0.001 0.000 0.278 270 E C 0.530 177.115 176.600 -0.025 0.000 0.959 270 E CA -0.085 56.304 56.400 -0.019 0.000 0.783 270 E CB 1.575 31.264 29.700 -0.019 0.000 1.095 270 E HN 0.648 nan 8.360 nan 0.000 0.399 271 A N 3.353 126.166 122.820 -0.011 0.000 2.546 271 A HA 0.217 4.536 4.320 -0.001 0.000 0.243 271 A C 0.414 177.987 177.584 -0.018 0.000 1.063 271 A CA 0.595 52.628 52.037 -0.006 0.000 0.757 271 A CB 0.333 19.337 19.000 0.008 0.000 0.991 271 A HN 0.593 nan 8.150 nan 0.000 0.503 272 T N 0.360 114.899 114.554 -0.025 0.000 2.731 272 T HA 0.555 4.904 4.350 -0.001 0.000 0.300 272 T C -1.455 173.230 174.700 -0.025 0.000 1.283 272 T CA -0.351 61.732 62.100 -0.029 0.000 1.005 272 T CB 1.045 69.890 68.868 -0.039 0.000 1.420 272 T HN 0.934 nan 8.240 nan 0.000 0.503 273 V N 3.338 123.235 119.914 -0.028 0.000 2.531 273 V HA 0.706 4.826 4.120 -0.001 0.000 0.301 273 V C -0.090 175.989 176.094 -0.025 0.000 1.034 273 V CA -0.736 61.551 62.300 -0.022 0.000 0.865 273 V CB 1.138 32.935 31.823 -0.042 0.000 0.995 273 V HN 0.897 nan 8.190 nan 0.000 0.424 274 I N 1.552 122.118 120.570 -0.005 0.000 3.074 274 I HA 1.065 5.235 4.170 -0.001 0.000 0.310 274 I C -0.005 176.111 176.117 -0.001 0.000 1.153 274 I CA -0.524 60.756 61.300 -0.033 0.000 0.993 274 I CB 2.468 40.423 38.000 -0.074 0.000 1.237 274 I HN 0.677 nan 8.210 nan 0.000 0.443 275 G N 0.614 109.355 108.800 -0.098 0.000 2.976 275 G HA2 0.776 4.735 3.960 -0.001 0.000 0.276 275 G HA3 0.776 4.735 3.960 -0.001 0.000 0.276 275 G C -0.384 174.342 174.900 -0.291 0.000 1.207 275 G CA -0.601 44.393 45.100 -0.177 0.000 0.803 275 G HN 1.742 nan 8.290 nan 0.000 0.572 276 G N -2.337 106.142 108.800 -0.536 0.000 2.587 276 G HA2 0.342 4.301 3.960 -0.001 0.000 0.686 276 G HA3 0.342 4.301 3.960 -0.001 0.000 0.686 276 G C 0.770 175.532 174.900 -0.230 0.000 1.236 276 G CA 0.546 45.430 45.100 -0.360 0.000 0.820 276 G HN 1.851 nan 8.290 nan 0.000 0.645 277 T N -1.551 113.009 114.554 0.011 0.000 3.007 277 T HA -0.007 4.342 4.350 -0.001 0.000 0.270 277 T C 2.509 177.173 174.700 -0.060 0.000 1.107 277 T CA 2.061 64.177 62.100 0.027 0.000 1.118 277 T CB -0.320 68.634 68.868 0.142 0.000 0.889 277 T HN 1.419 nan 8.240 nan 0.000 0.506 278 S N 2.277 117.907 115.700 -0.116 0.000 2.420 278 S HA -0.003 4.467 4.470 -0.001 0.000 0.237 278 S C 2.349 176.831 174.600 -0.196 0.000 1.023 278 S CA 0.850 58.945 58.200 -0.174 0.000 0.991 278 S CB -0.624 62.366 63.200 -0.349 0.000 0.792 278 S HN 0.789 nan 8.310 nan 0.000 0.488 279 A N 0.936 123.592 122.820 -0.273 0.000 2.081 279 A HA 0.271 4.591 4.320 -0.001 0.000 0.214 279 A C 2.185 179.562 177.584 -0.345 0.000 1.158 279 A CA 0.519 52.304 52.037 -0.420 0.000 0.724 279 A CB -0.438 18.061 19.000 -0.835 0.000 0.826 279 A HN 0.370 nan 8.150 nan 0.000 0.463 280 V N -0.071 119.693 119.914 -0.251 0.000 2.379 280 V HA -0.176 3.943 4.120 -0.001 0.000 0.245 280 V C 2.997 178.914 176.094 -0.295 0.000 1.044 280 V CA 1.709 63.804 62.300 -0.342 0.000 1.036 280 V CB -1.271 30.395 31.823 -0.261 0.000 0.664 280 V HN 0.543 nan 8.190 nan 0.000 0.453 281 A N 1.323 124.081 122.820 -0.103 0.000 1.865 281 A HA -0.107 4.213 4.320 -0.001 0.000 0.217 281 A C 0.764 178.372 177.584 0.040 0.000 1.191 281 A CA 2.112 54.157 52.037 0.014 0.000 0.623 281 A CB -1.955 17.080 19.000 0.058 0.000 0.826 281 A HN 0.571 nan 8.150 nan 0.000 0.444 282 P HA -0.139 nan 4.420 nan 0.000 0.218 282 P C 1.698 179.049 177.300 0.086 0.000 1.149 282 P CA 1.055 64.192 63.100 0.061 0.000 0.817 282 P CB -0.179 31.527 31.700 0.011 0.000 0.785 283 L N -0.886 120.331 121.223 -0.010 0.000 1.989 283 L HA -0.109 4.231 4.340 -0.001 0.000 0.211 283 L C 2.224 179.286 176.870 0.320 0.000 1.071 283 L CA 2.127 57.019 54.840 0.087 0.000 0.749 283 L CB -1.404 40.585 42.059 -0.116 0.000 0.890 283 L HN -0.220 nan 8.230 nan 0.000 0.431 284 F N -0.106 119.959 119.950 0.192 0.000 2.558 284 F HA 0.168 4.695 4.527 -0.001 0.000 0.298 284 F C 2.424 178.253 175.800 0.048 0.000 1.119 284 F CA 0.253 58.314 58.000 0.101 0.000 1.451 284 F CB -1.635 37.393 39.000 0.047 0.000 1.091 284 F HN 0.213 nan 8.300 nan 0.000 0.563 285 A N 0.277 123.249 122.820 0.253 0.000 1.902 285 A HA -0.033 4.287 4.320 -0.001 0.000 0.217 285 A C 2.522 180.204 177.584 0.164 0.000 1.181 285 A CA 1.736 53.878 52.037 0.175 0.000 0.623 285 A CB -1.118 17.984 19.000 0.169 0.000 0.818 285 A HN 0.255 nan 8.150 nan 0.000 0.443 286 A N -0.397 122.565 122.820 0.236 0.000 1.902 286 A HA -0.034 4.285 4.320 -0.001 0.000 0.217 286 A C 2.115 179.775 177.584 0.127 0.000 1.181 286 A CA 1.760 53.946 52.037 0.248 0.000 0.623 286 A CB -0.680 18.546 19.000 0.376 0.000 0.818 286 A HN 0.707 nan 8.150 nan 0.000 0.443 287 L N 0.233 121.458 121.223 0.003 0.000 1.971 287 L HA -0.164 4.176 4.340 -0.001 0.000 0.215 287 L C 2.396 179.137 176.870 -0.216 0.000 1.072 287 L CA 2.341 56.912 54.840 -0.448 0.000 0.758 287 L CB -0.910 40.756 42.059 -0.654 0.000 0.889 287 L HN 0.163 nan 8.230 nan 0.000 0.433 288 V N 0.201 120.054 119.914 -0.100 0.000 2.392 288 V HA -0.307 3.812 4.120 -0.001 0.000 0.249 288 V C 2.815 178.879 176.094 -0.051 0.000 1.059 288 V CA 1.653 63.909 62.300 -0.074 0.000 1.051 288 V CB -1.420 30.386 31.823 -0.027 0.000 0.658 288 V HN 0.661 nan 8.190 nan 0.000 0.455 289 A N -0.335 122.472 122.820 -0.021 0.000 1.930 289 A HA -0.199 4.121 4.320 -0.001 0.000 0.217 289 A C 2.388 179.955 177.584 -0.030 0.000 1.175 289 A CA 1.579 53.601 52.037 -0.025 0.000 0.627 289 A CB -0.458 18.527 19.000 -0.024 0.000 0.815 289 A HN 0.490 nan 8.150 nan 0.000 0.443 290 R N -0.598 119.886 120.500 -0.025 0.000 2.083 290 R HA -0.097 4.243 4.340 -0.001 0.000 0.237 290 R C 2.024 178.295 176.300 -0.048 0.000 1.137 290 R CA 1.747 57.832 56.100 -0.024 0.000 0.951 290 R CB -0.531 29.756 30.300 -0.021 0.000 0.851 290 R HN 0.574 nan 8.270 nan 0.000 0.434 291 I N 1.259 121.781 120.570 -0.080 0.000 2.179 291 I HA -0.295 3.874 4.170 -0.001 0.000 0.242 291 I C 1.796 177.878 176.117 -0.058 0.000 1.088 291 I CA 1.114 62.366 61.300 -0.080 0.000 1.357 291 I CB -0.389 37.547 38.000 -0.108 0.000 1.051 291 I HN 0.166 nan 8.210 nan 0.000 0.409 292 N N 0.596 119.266 118.700 -0.051 0.000 2.137 292 N HA -0.272 4.467 4.740 -0.001 0.000 0.190 292 N C 1.759 177.248 175.510 -0.034 0.000 1.017 292 N CA 1.254 54.281 53.050 -0.040 0.000 0.859 292 N CB -0.429 38.036 38.487 -0.036 0.000 1.002 292 N HN 0.488 nan 8.380 nan 0.000 0.428 293 Q N 0.578 120.358 119.800 -0.033 0.000 2.084 293 Q HA -0.165 4.174 4.340 -0.001 0.000 0.202 293 Q C 1.764 177.749 176.000 -0.024 0.000 0.978 293 Q CA 1.485 57.272 55.803 -0.027 0.000 0.844 293 Q CB 0.053 28.778 28.738 -0.023 0.000 0.898 293 Q HN 0.041 nan 8.270 nan 0.000 0.426 294 K N 0.637 121.021 120.400 -0.027 0.000 2.057 294 K HA -0.048 4.271 4.320 -0.001 0.000 0.206 294 K C 1.971 178.554 176.600 -0.028 0.000 1.050 294 K CA 1.144 57.415 56.287 -0.026 0.000 0.935 294 K CB -0.396 32.087 32.500 -0.030 0.000 0.715 294 K HN 0.281 nan 8.250 nan 0.000 0.439 295 L N -0.674 120.529 121.223 -0.033 0.000 2.265 295 L HA -0.026 4.313 4.340 -0.001 0.000 0.215 295 L C 1.410 178.265 176.870 -0.025 0.000 1.117 295 L CA 1.083 55.904 54.840 -0.031 0.000 0.782 295 L CB -0.640 41.398 42.059 -0.035 0.000 0.914 295 L HN 0.654 nan 8.230 nan 0.000 0.441 296 G N 0.796 109.582 108.800 -0.023 0.000 2.162 296 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.260 296 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.260 296 G C 0.214 175.103 174.900 -0.018 0.000 0.976 296 G CA 0.754 45.842 45.100 -0.019 0.000 0.655 296 G HN 0.503 nan 8.290 nan 0.000 0.533 297 K N -1.468 118.920 120.400 -0.020 0.000 2.587 297 K HA 0.719 5.038 4.320 -0.001 0.000 0.276 297 K C -0.290 176.298 176.600 -0.020 0.000 0.956 297 K CA -0.366 55.911 56.287 -0.017 0.000 0.857 297 K CB 0.941 33.432 32.500 -0.014 0.000 1.431 297 K HN 1.298 nan 8.250 nan 0.000 0.420 298 A N 2.223 125.034 122.820 -0.016 0.000 2.537 298 A HA 0.199 4.518 4.320 -0.001 0.000 0.260 298 A C 1.339 178.914 177.584 -0.014 0.000 1.082 298 A CA 0.139 52.167 52.037 -0.014 0.000 0.765 298 A CB -0.196 18.799 19.000 -0.007 0.000 1.019 298 A HN 0.996 nan 8.150 nan 0.000 0.507 299 V N 3.040 122.941 119.914 -0.022 0.000 2.515 299 V HA 0.279 4.399 4.120 -0.001 0.000 0.250 299 V C 1.558 177.646 176.094 -0.010 0.000 1.058 299 V CA 1.847 64.131 62.300 -0.027 0.000 1.064 299 V CB -1.846 29.949 31.823 -0.047 0.000 0.675 299 V HN 2.514 nan 8.190 nan 0.000 0.461 300 G N -0.193 108.612 108.800 0.008 0.000 2.574 300 G HA2 -0.396 3.564 3.960 -0.001 0.000 0.286 300 G HA3 -0.396 3.564 3.960 -0.001 0.000 0.286 300 G C -0.217 174.735 174.900 0.086 0.000 1.212 300 G CA 0.541 45.669 45.100 0.046 0.000 0.979 300 G HN 1.288 nan 8.290 nan 0.000 0.557 301 Y N 1.756 122.036 120.300 -0.034 0.000 2.713 301 Y HA 0.469 5.018 4.550 -0.001 0.000 0.341 301 Y C 1.486 177.331 175.900 -0.093 0.000 1.167 301 Y CA 0.271 58.345 58.100 -0.043 0.000 1.503 301 Y CB 0.108 38.569 38.460 0.003 0.000 1.199 301 Y HN 0.453 nan 8.280 nan 0.000 0.525 302 L N 4.534 125.564 121.223 -0.322 0.000 2.609 302 L HA 0.009 4.348 4.340 -0.001 0.000 0.230 302 L C 1.508 178.056 176.870 -0.536 0.000 1.087 302 L CA 0.035 54.657 54.840 -0.362 0.000 0.874 302 L CB 0.016 41.968 42.059 -0.178 0.000 1.114 302 L HN 0.510 nan 8.230 nan 0.000 0.488 303 N N 0.882 119.083 118.700 -0.831 0.000 2.061 303 N HA -0.161 4.579 4.740 -0.001 0.000 0.193 303 N C -0.966 174.025 175.510 -0.865 0.000 1.030 303 N CA 1.593 54.154 53.050 -0.814 0.000 0.856 303 N CB -1.463 36.318 38.487 -1.177 0.000 1.023 303 N HN 0.187 nan 8.380 nan 0.000 0.424 304 P HA -0.030 nan 4.420 nan 0.000 0.216 304 P C 1.290 178.453 177.300 -0.228 0.000 1.153 304 P CA 1.442 64.142 63.100 -0.666 0.000 0.848 304 P CB -0.078 31.248 31.700 -0.623 0.000 0.787 305 T N 0.085 114.476 114.554 -0.271 0.000 2.635 305 T HA -0.162 4.187 4.350 -0.001 0.000 0.267 305 T C 1.730 176.408 174.700 -0.037 0.000 1.040 305 T CA 1.260 63.282 62.100 -0.129 0.000 1.156 305 T CB -1.120 67.657 68.868 -0.151 0.000 0.863 305 T HN 0.057 nan 8.240 nan 0.000 0.430 306 L N -0.573 120.624 121.223 -0.043 0.000 2.081 306 L HA -0.151 4.189 4.340 -0.001 0.000 0.212 306 L C 2.187 179.063 176.870 0.010 0.000 1.080 306 L CA 1.553 56.406 54.840 0.022 0.000 0.754 306 L CB -0.582 41.431 42.059 -0.076 0.000 0.893 306 L HN 0.332 nan 8.230 nan 0.000 0.433 307 Y N -1.036 119.280 120.300 0.028 0.000 2.578 307 Y HA -0.054 4.495 4.550 -0.001 0.000 0.297 307 Y C 2.158 178.100 175.900 0.070 0.000 1.176 307 Y CA 0.415 58.557 58.100 0.071 0.000 1.315 307 Y CB 0.155 38.700 38.460 0.141 0.000 1.031 307 Y HN 0.186 nan 8.280 nan 0.000 0.524 308 Q N -0.324 119.570 119.800 0.156 0.000 2.189 308 Q HA 0.240 4.580 4.340 -0.001 0.000 0.223 308 Q C 0.003 176.044 176.000 0.068 0.000 0.828 308 Q CA 0.092 55.951 55.803 0.094 0.000 0.967 308 Q CB 0.753 29.527 28.738 0.059 0.000 1.139 308 Q HN 0.401 nan 8.270 nan 0.000 0.497 309 L N 2.428 123.710 121.223 0.097 0.000 2.452 309 L HA 0.204 4.543 4.340 -0.001 0.000 0.267 309 L C -1.813 175.113 176.870 0.093 0.000 1.188 309 L CA -1.584 53.296 54.840 0.066 0.000 0.821 309 L CB -0.157 41.922 42.059 0.034 0.000 1.102 309 L HN -0.110 nan 8.230 nan 0.000 0.470 310 P HA 0.004 nan 4.420 nan 0.000 0.267 310 P C 0.146 177.503 177.300 0.095 0.000 1.200 310 P CA -0.113 63.011 63.100 0.040 0.000 0.772 310 P CB 0.690 32.387 31.700 -0.004 0.000 0.855 311 A N 2.775 125.666 122.820 0.118 0.000 1.978 311 A HA -0.208 4.111 4.320 -0.001 0.000 0.220 311 A C 1.371 179.045 177.584 0.151 0.000 1.170 311 A CA 2.047 54.193 52.037 0.181 0.000 0.636 311 A CB -1.207 17.860 19.000 0.111 0.000 0.810 311 A HN 0.679 nan 8.150 nan 0.000 0.448 312 D N -0.797 119.633 120.400 0.050 0.000 2.325 312 D HA 0.119 4.758 4.640 -0.001 0.000 0.234 312 D C 0.862 177.115 176.300 -0.078 0.000 1.122 312 D CA 0.334 54.345 54.000 0.018 0.000 0.850 312 D CB -0.379 40.428 40.800 0.011 0.000 0.921 312 D HN 0.161 nan 8.370 nan 0.000 0.513 313 V N -0.599 119.184 119.914 -0.219 0.000 3.129 313 V HA 0.110 4.229 4.120 -0.001 0.000 0.259 313 V C 0.122 175.795 176.094 -0.702 0.000 1.116 313 V CA 0.713 62.695 62.300 -0.531 0.000 1.127 313 V CB -0.745 30.589 31.823 -0.816 0.000 0.742 313 V HN 0.084 nan 8.190 nan 0.000 0.474 314 F N -1.402 118.527 119.950 -0.036 0.000 2.561 314 F HA 0.468 4.994 4.527 -0.001 0.000 0.321 314 F C 0.281 176.110 175.800 0.049 0.000 1.065 314 F CA -1.211 56.770 58.000 -0.032 0.000 0.934 314 F CB 0.836 39.788 39.000 -0.079 0.000 1.215 314 F HN -0.114 nan 8.300 nan 0.000 0.471 315 H N 2.106 121.274 119.070 0.162 0.000 2.705 315 H HA 0.106 4.661 4.556 -0.001 0.000 0.291 315 H C -1.028 174.361 175.328 0.103 0.000 1.085 315 H CA -0.682 55.438 56.048 0.120 0.000 1.357 315 H CB 0.667 30.509 29.762 0.133 0.000 1.419 315 H HN 0.574 nan 8.280 nan 0.000 0.462 316 D N 5.020 125.267 120.400 -0.255 0.000 2.351 316 D HA 0.086 4.725 4.640 -0.001 0.000 0.251 316 D C -0.294 175.766 176.300 -0.400 0.000 1.137 316 D CA -0.270 53.583 54.000 -0.245 0.000 0.879 316 D CB 0.565 41.296 40.800 -0.116 0.000 1.181 316 D HN 0.448 nan 8.370 nan 0.000 0.448 317 I N 2.724 123.142 120.570 -0.253 0.000 2.342 317 I HA 0.147 4.316 4.170 -0.001 0.000 0.291 317 I C 1.589 177.634 176.117 -0.121 0.000 1.010 317 I CA 0.092 61.284 61.300 -0.179 0.000 1.308 317 I CB 1.700 39.647 38.000 -0.089 0.000 1.400 317 I HN 0.499 nan 8.210 nan 0.000 0.488 318 T N 0.667 115.173 114.554 -0.080 0.000 2.958 318 T HA 0.338 4.687 4.350 -0.001 0.000 0.256 318 T C 0.386 175.074 174.700 -0.021 0.000 0.983 318 T CA -0.240 61.831 62.100 -0.048 0.000 0.924 318 T CB -0.017 68.831 68.868 -0.033 0.000 1.136 318 T HN 0.471 nan 8.240 nan 0.000 0.506 319 E N 1.043 121.239 120.200 -0.007 0.000 2.195 319 E HA 0.611 4.960 4.350 -0.001 0.000 0.271 319 E C 0.126 176.737 176.600 0.017 0.000 0.923 319 E CA -0.887 55.519 56.400 0.010 0.000 0.790 319 E CB 1.844 31.557 29.700 0.023 0.000 1.155 319 E HN 0.527 nan 8.360 nan 0.000 0.402 320 G N 2.204 111.014 108.800 0.016 0.000 2.525 320 G HA2 -0.062 3.898 3.960 -0.001 0.000 0.685 320 G HA3 -0.062 3.898 3.960 -0.001 0.000 0.685 320 G C -1.239 173.666 174.900 0.009 0.000 1.290 320 G CA -0.514 44.598 45.100 0.019 0.000 0.915 320 G HN 0.814 nan 8.290 nan 0.000 0.548 321 N N -1.586 117.118 118.700 0.008 0.000 2.610 321 N HA 0.617 5.357 4.740 -0.001 0.000 0.264 321 N C -0.009 175.499 175.510 -0.003 0.000 1.348 321 N CA -0.285 52.769 53.050 0.006 0.000 0.819 321 N CB 1.282 39.771 38.487 0.002 0.000 1.521 321 N HN 0.796 nan 8.380 nan 0.000 0.497 322 N N -0.916 117.791 118.700 0.012 0.000 2.380 322 N HA 0.103 4.842 4.740 -0.001 0.000 0.255 322 N C -1.142 174.372 175.510 0.007 0.000 1.158 322 N CA -0.247 52.794 53.050 -0.016 0.000 0.878 322 N CB -0.020 38.470 38.487 0.005 0.000 1.138 322 N HN 0.608 nan 8.380 nan 0.000 0.509 323 D N 1.198 121.605 120.400 0.013 0.000 2.295 323 D HA 0.158 4.797 4.640 -0.001 0.000 0.248 323 D C 1.107 177.409 176.300 0.003 0.000 1.154 323 D CA -0.379 53.647 54.000 0.043 0.000 0.857 323 D CB 1.058 41.884 40.800 0.044 0.000 1.117 323 D HN 0.438 nan 8.370 nan 0.000 0.468 324 I N 0.687 121.258 120.570 0.002 0.000 4.240 324 I HA 0.360 4.530 4.170 -0.001 0.000 0.331 324 I C 1.282 177.390 176.117 -0.015 0.000 1.381 324 I CA -0.408 60.876 61.300 -0.028 0.000 1.136 324 I CB 0.750 38.712 38.000 -0.063 0.000 1.137 324 I HN 0.216 nan 8.210 nan 0.000 0.411 325 A N 2.094 124.911 122.820 -0.004 0.000 1.997 325 A HA 0.259 4.579 4.320 -0.001 0.000 0.212 325 A C 0.873 178.441 177.584 -0.026 0.000 1.178 325 A CA 0.764 52.785 52.037 -0.026 0.000 0.698 325 A CB -0.235 18.727 19.000 -0.063 0.000 0.842 325 A HN 0.684 nan 8.150 nan 0.000 0.458 326 N N -2.139 116.558 118.700 -0.006 0.000 2.972 326 N HA 0.328 5.068 4.740 -0.001 0.000 0.262 326 N C -0.838 174.677 175.510 0.008 0.000 1.478 326 N CA -0.801 52.247 53.050 -0.003 0.000 0.841 326 N CB 0.766 39.250 38.487 -0.006 0.000 1.512 326 N HN -0.002 nan 8.380 nan 0.000 0.548 327 R N -0.550 119.953 120.500 0.004 0.000 2.388 327 R HA 0.264 4.603 4.340 -0.001 0.000 0.247 327 R C 1.116 177.419 176.300 0.004 0.000 0.931 327 R CA 0.246 56.348 56.100 0.003 0.000 1.082 327 R CB 0.087 30.386 30.300 -0.000 0.000 1.135 327 R HN 0.637 nan 8.270 nan 0.000 0.525 328 A N 1.253 124.080 122.820 0.012 0.000 2.235 328 A HA -0.084 4.235 4.320 -0.001 0.000 0.208 328 A C 0.357 177.930 177.584 -0.018 0.000 1.172 328 A CA 0.097 52.135 52.037 0.001 0.000 0.786 328 A CB -0.209 18.799 19.000 0.013 0.000 0.804 328 A HN 0.445 nan 8.150 nan 0.000 0.479 329 Q N -0.703 119.089 119.800 -0.013 0.000 2.453 329 Q HA -0.165 4.175 4.340 -0.001 0.000 0.294 329 Q C -0.648 175.304 176.000 -0.080 0.000 1.295 329 Q CA 0.567 56.353 55.803 -0.028 0.000 0.853 329 Q CB -1.716 27.010 28.738 -0.021 0.000 1.193 329 Q HN 0.570 nan 8.270 nan 0.000 0.461 330 I N 1.195 121.678 120.570 -0.146 0.000 2.312 330 I HA 0.302 4.472 4.170 -0.001 0.000 0.290 330 I C 0.395 176.280 176.117 -0.386 0.000 1.008 330 I CA -0.326 60.703 61.300 -0.453 0.000 1.226 330 I CB 0.044 37.541 38.000 -0.839 0.000 1.371 330 I HN 0.053 nan 8.210 nan 0.000 0.468 331 Y N 4.097 124.307 120.300 -0.150 0.000 2.488 331 Y HA 0.456 5.006 4.550 -0.001 0.000 0.325 331 Y C 0.650 176.498 175.900 -0.085 0.000 1.204 331 Y CA -0.612 57.407 58.100 -0.135 0.000 1.229 331 Y CB 1.223 39.608 38.460 -0.126 0.000 1.274 331 Y HN 0.480 nan 8.280 nan 0.000 0.493 332 Q N 0.985 120.840 119.800 0.091 0.000 2.306 332 Q HA 0.729 5.068 4.340 -0.001 0.000 0.265 332 Q C -0.886 175.118 176.000 0.005 0.000 1.022 332 Q CA -0.923 54.897 55.803 0.030 0.000 0.853 332 Q CB 1.844 30.590 28.738 0.012 0.000 1.327 332 Q HN 0.864 nan 8.270 nan 0.000 0.449 333 A N 1.165 123.974 122.820 -0.018 0.000 2.280 333 A HA 0.850 5.169 4.320 -0.001 0.000 0.268 333 A C 0.086 177.651 177.584 -0.031 0.000 1.111 333 A CA 0.505 52.512 52.037 -0.051 0.000 0.814 333 A CB 0.655 19.622 19.000 -0.055 0.000 1.093 333 A HN 0.825 nan 8.150 nan 0.000 0.498 334 G N -1.711 107.063 108.800 -0.042 0.000 2.441 334 G HA2 0.532 4.491 3.960 -0.001 0.000 0.294 334 G HA3 0.532 4.491 3.960 -0.001 0.000 0.294 334 G C -3.497 171.389 174.900 -0.023 0.000 1.393 334 G CA -0.839 44.251 45.100 -0.017 0.000 0.796 334 G HN 0.490 nan 8.290 nan 0.000 0.494 335 P HA 0.411 nan 4.420 nan 0.000 0.264 335 P C 0.848 178.159 177.300 0.017 0.000 1.193 335 P CA 2.041 65.142 63.100 0.001 0.000 0.763 335 P CB 0.834 32.543 31.700 0.016 0.000 0.810 336 G N 2.286 111.089 108.800 0.005 0.000 2.681 336 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.220 336 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.220 336 G C -0.910 174.004 174.900 0.024 0.000 1.353 336 G CA -0.605 44.515 45.100 0.034 0.000 0.872 336 G HN 0.597 nan 8.290 nan 0.000 0.557 337 W N 2.166 123.417 121.300 -0.082 0.000 2.391 337 W HA 0.400 5.059 4.660 -0.001 0.000 0.339 337 W C 0.727 177.220 176.519 -0.044 0.000 1.252 337 W CA 1.517 58.817 57.345 -0.075 0.000 1.304 337 W CB 0.189 29.650 29.460 0.002 0.000 1.179 337 W HN 0.933 nan 8.180 nan 0.000 0.567 338 D N 3.647 123.518 120.400 -0.883 0.000 2.583 338 D HA 0.359 4.998 4.640 -0.001 0.000 0.248 338 D C -2.623 172.826 176.300 -1.418 0.000 1.209 338 D CA -1.847 51.718 54.000 -0.725 0.000 0.848 338 D CB 1.636 42.248 40.800 -0.314 0.000 1.431 338 D HN 0.012 nan 8.370 nan 0.000 0.436 339 P HA 0.212 nan 4.420 nan 0.000 0.258 339 P C -0.081 177.001 177.300 -0.363 0.000 1.403 339 P CA 0.097 62.841 63.100 -0.594 0.000 0.826 339 P CB -0.075 31.299 31.700 -0.542 0.000 1.414 340 C N -2.282 116.818 119.300 -0.333 0.000 2.378 340 C HA 0.107 4.567 4.460 -0.001 0.000 0.389 340 C C 1.942 176.831 174.990 -0.167 0.000 1.394 340 C CA 1.185 60.105 59.018 -0.164 0.000 2.275 340 C CB -0.680 27.007 27.740 -0.088 0.000 2.567 340 C HN 0.283 nan 8.230 nan 0.000 0.556 341 T N -2.460 111.927 114.554 -0.279 0.000 3.058 341 T HA 0.491 4.841 4.350 -0.001 0.000 0.278 341 T C 1.052 175.538 174.700 -0.357 0.000 0.974 341 T CA 1.071 63.039 62.100 -0.220 0.000 0.893 341 T CB 0.227 69.011 68.868 -0.140 0.000 1.138 341 T HN 0.926 nan 8.240 nan 0.000 0.529 342 G N 2.716 111.093 108.800 -0.705 0.000 2.574 342 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.286 342 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.286 342 G C 0.594 175.076 174.900 -0.697 0.000 1.212 342 G CA 0.187 44.717 45.100 -0.950 0.000 0.979 342 G HN 0.515 nan 8.290 nan 0.000 0.557 343 L N 2.579 123.515 121.223 -0.479 0.000 2.551 343 L HA 0.387 4.726 4.340 -0.001 0.000 0.228 343 L C 1.844 178.400 176.870 -0.523 0.000 1.153 343 L CA 1.115 55.577 54.840 -0.629 0.000 0.851 343 L CB -1.220 40.120 42.059 -1.200 0.000 0.959 343 L HN 1.948 nan 8.230 nan 0.000 0.451 344 G N -0.463 108.143 108.800 -0.323 0.000 2.466 344 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.316 344 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.316 344 G C -0.394 174.482 174.900 -0.039 0.000 1.270 344 G CA -0.340 44.669 45.100 -0.151 0.000 0.982 344 G HN 0.234 nan 8.290 nan 0.000 0.506 345 S N 1.431 117.155 115.700 0.041 0.000 2.537 345 S HA 0.735 5.205 4.470 -0.001 0.000 0.275 345 S C -2.014 172.586 174.600 0.000 0.000 1.272 345 S CA -0.548 57.624 58.200 -0.047 0.000 1.050 345 S CB 2.095 65.183 63.200 -0.187 0.000 0.961 345 S HN 0.770 nan 8.310 nan 0.000 0.496 346 P HA 0.347 nan 4.420 nan 0.000 0.277 346 P C -0.865 176.365 177.300 -0.116 0.000 1.240 346 P CA -0.584 62.413 63.100 -0.172 0.000 0.798 346 P CB 0.541 31.991 31.700 -0.416 0.000 0.979 347 I N 1.950 122.440 120.570 -0.133 0.000 2.307 347 I HA 0.190 4.360 4.170 -0.001 0.000 0.287 347 I C 1.882 177.948 176.117 -0.084 0.000 1.054 347 I CA -0.210 61.070 61.300 -0.033 0.000 1.218 347 I CB 0.735 38.711 38.000 -0.040 0.000 1.398 347 I HN 0.454 nan 8.210 nan 0.000 0.475 348 G N 4.923 113.722 108.800 -0.003 0.000 2.469 348 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.219 348 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.219 348 G C 1.529 176.374 174.900 -0.092 0.000 1.150 348 G CA 1.402 46.446 45.100 -0.094 0.000 0.763 348 G HN 0.563 nan 8.290 nan 0.000 0.561 349 V N -0.951 118.946 119.914 -0.028 0.000 2.490 349 V HA -0.081 4.038 4.120 -0.001 0.000 0.250 349 V C 2.568 178.616 176.094 -0.077 0.000 1.061 349 V CA 2.032 64.308 62.300 -0.039 0.000 1.064 349 V CB -0.644 31.173 31.823 -0.010 0.000 0.670 349 V HN 0.330 nan 8.190 nan 0.000 0.461 350 R N -0.169 120.270 120.500 -0.103 0.000 2.161 350 R HA 0.208 4.547 4.340 -0.001 0.000 0.213 350 R C 2.184 178.372 176.300 -0.187 0.000 1.055 350 R CA 1.083 57.102 56.100 -0.135 0.000 0.996 350 R CB -0.342 29.869 30.300 -0.147 0.000 0.901 350 R HN 0.507 nan 8.270 nan 0.000 0.456 351 L N 1.062 122.150 121.223 -0.226 0.000 2.093 351 L HA -0.082 4.257 4.340 -0.001 0.000 0.208 351 L C 1.949 178.714 176.870 -0.174 0.000 1.085 351 L CA 1.353 56.045 54.840 -0.247 0.000 0.755 351 L CB -0.388 41.498 42.059 -0.288 0.000 0.904 351 L HN 0.095 nan 8.230 nan 0.000 0.435 352 L N -0.439 120.696 121.223 -0.147 0.000 2.017 352 L HA -0.203 4.136 4.340 -0.001 0.000 0.208 352 L C 2.431 179.246 176.870 -0.092 0.000 1.073 352 L CA 1.827 56.600 54.840 -0.111 0.000 0.745 352 L CB -0.993 41.011 42.059 -0.091 0.000 0.894 352 L HN 0.367 nan 8.230 nan 0.000 0.432 353 Q N -0.227 119.520 119.800 -0.088 0.000 2.170 353 Q HA -0.076 4.263 4.340 -0.001 0.000 0.203 353 Q C 2.251 178.206 176.000 -0.075 0.000 0.976 353 Q CA 1.594 57.354 55.803 -0.072 0.000 0.858 353 Q CB -0.533 28.166 28.738 -0.065 0.000 0.907 353 Q HN 0.699 nan 8.270 nan 0.000 0.433 354 A N 0.356 123.119 122.820 -0.096 0.000 2.066 354 A HA -0.044 4.275 4.320 -0.001 0.000 0.218 354 A C 2.037 179.573 177.584 -0.080 0.000 1.157 354 A CA 0.664 52.647 52.037 -0.090 0.000 0.670 354 A CB -0.348 18.584 19.000 -0.114 0.000 0.804 354 A HN 0.289 nan 8.150 nan 0.000 0.453 355 L N -0.445 120.726 121.223 -0.086 0.000 2.446 355 L HA 0.165 4.504 4.340 -0.001 0.000 0.219 355 L C 0.329 177.164 176.870 -0.060 0.000 1.116 355 L CA -0.202 54.593 54.840 -0.076 0.000 0.844 355 L CB -0.228 41.780 42.059 -0.086 0.000 0.970 355 L HN 0.262 nan 8.230 nan 0.000 0.457 356 L N 2.138 123.327 121.223 -0.056 0.000 2.416 356 L HA 0.151 4.491 4.340 -0.001 0.000 0.272 356 L C -1.454 175.393 176.870 -0.038 0.000 1.161 356 L CA -1.577 53.236 54.840 -0.044 0.000 0.845 356 L CB 0.199 42.232 42.059 -0.042 0.000 1.119 356 L HN -0.037 nan 8.230 nan 0.000 0.464 357 P HA 0.314 nan 4.420 nan 0.000 0.270 357 P C -0.494 176.791 177.300 -0.025 0.000 1.227 357 P CA -0.072 63.012 63.100 -0.027 0.000 0.788 357 P CB 0.935 32.622 31.700 -0.023 0.000 0.926 358 S N 0.000 115.687 115.700 -0.022 0.000 2.498 358 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 358 S CA 0.000 nan 58.200 nan 0.000 1.107 358 S CB 0.000 nan 63.200 nan 0.000 0.593 358 S HN 0.000 nan 8.310 nan 0.000 0.517