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 2zoq_1_B DATA FIRST_RESID 24 DATA SEQUENCE VPGEVEMVKG QPFDVGPRYT QLQYIGEGAY GMVSSAYDHV RKTRVAIKKI DATA SEQUENCE SPFEHQTYCQ RTLREIQILL RFRHENVIGI RDILRASTLE AMRDVYIVQD DATA SEQUENCE LMETDLYKLL KSQQLSNDHI CYFLYQILRG LKYIHSANVL HRDLKPSNLL DATA SEQUENCE INTTCDLKIC DFGLARIADP EHDHTGFLTE XVATRWYRAP EIMLNSKGYT DATA SEQUENCE KSIDIWSVGC ILAEMLSNRP IFPGKHYLDQ LNHILGILGS PSQEDLNCII DATA SEQUENCE NMKARNYLQS LPSKTKVAWA KLFPKSDSKA LDLLDRMLTF NPNKRITVEE DATA SEQUENCE ALAHPYLEQY YDPTDEPVAE EPFTFAMELD DLPKERLKEL IFQETARFQP DATA SEQUENCE GV 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 24 V HA 0.000 nan 4.120 nan 0.000 0.244 24 V C 0.000 176.098 176.094 0.006 0.000 1.182 24 V CA 0.000 62.302 62.300 0.004 0.000 1.235 24 V CB 0.000 31.824 31.823 0.002 0.000 1.184 25 P HA 0.602 nan 4.420 nan 0.000 0.272 25 P C 0.136 177.442 177.300 0.009 0.000 1.230 25 P CA 1.090 64.195 63.100 0.009 0.000 0.788 25 P CB 1.537 33.240 31.700 0.005 0.000 0.949 26 G N -0.394 108.414 108.800 0.013 0.000 3.121 26 G HA2 0.252 4.210 3.960 -0.002 0.000 0.133 26 G HA3 0.252 4.210 3.960 -0.002 0.000 0.133 26 G C 0.267 175.176 174.900 0.016 0.000 1.398 26 G CA 0.810 45.917 45.100 0.013 0.000 1.037 26 G HN 0.700 nan 8.290 nan 0.000 0.644 27 E N -1.024 119.191 120.200 0.025 0.000 3.685 27 E HA 0.246 4.595 4.350 -0.002 0.000 0.118 27 E C -0.034 176.592 176.600 0.044 0.000 1.688 27 E CA 0.608 57.026 56.400 0.030 0.000 0.961 27 E CB -0.150 29.565 29.700 0.024 0.000 1.872 27 E HN 0.977 nan 8.360 nan 0.000 0.751 28 V N 1.295 121.237 119.914 0.047 0.000 2.644 28 V HA 0.283 4.402 4.120 -0.002 0.000 0.305 28 V C -0.183 175.958 176.094 0.078 0.000 1.053 28 V CA 0.291 62.631 62.300 0.068 0.000 1.186 28 V CB 0.129 31.992 31.823 0.068 0.000 0.895 28 V HN 0.380 nan 8.190 nan 0.000 0.490 29 E N 3.758 124.022 120.200 0.106 0.000 2.221 29 E HA 0.631 4.980 4.350 -0.002 0.000 0.268 29 E C -0.824 175.849 176.600 0.122 0.000 0.933 29 E CA -1.185 55.271 56.400 0.092 0.000 0.809 29 E CB 1.972 31.716 29.700 0.074 0.000 1.190 29 E HN 0.736 nan 8.360 nan 0.000 0.406 30 M N 1.422 121.066 119.600 0.073 0.000 2.423 30 M HA 0.354 4.832 4.480 -0.002 0.000 0.335 30 M C -1.128 175.172 176.300 -0.000 0.000 1.177 30 M CA -0.702 54.642 55.300 0.073 0.000 1.038 30 M CB 1.843 34.469 32.600 0.044 0.000 1.641 30 M HN 0.197 nan 8.290 nan 0.000 0.455 31 V N 4.286 124.200 119.914 -0.000 0.000 2.577 31 V HA 0.364 4.482 4.120 -0.002 0.000 0.294 31 V C -0.581 175.464 176.094 -0.082 0.000 1.052 31 V CA -1.075 61.153 62.300 -0.120 0.000 0.891 31 V CB 1.672 33.263 31.823 -0.387 0.000 1.017 31 V HN 0.794 nan 8.190 nan 0.000 0.436 32 K N 3.062 123.358 120.400 -0.174 0.000 3.117 32 K HA -0.220 4.098 4.320 -0.002 0.000 0.269 32 K C 1.138 177.689 176.600 -0.082 0.000 1.098 32 K CA 1.079 57.246 56.287 -0.201 0.000 0.785 32 K CB -1.886 30.446 32.500 -0.281 0.000 1.242 32 K HN 1.960 nan 8.250 nan 0.000 0.491 33 G N -0.399 108.375 108.800 -0.043 0.000 2.196 33 G HA2 -0.339 3.619 3.960 -0.002 0.000 0.268 33 G HA3 -0.339 3.619 3.960 -0.002 0.000 0.268 33 G C -0.060 174.858 174.900 0.030 0.000 0.975 33 G CA 0.845 45.939 45.100 -0.009 0.000 0.648 33 G HN 0.381 nan 8.290 nan 0.000 0.538 34 Q N 0.624 120.468 119.800 0.073 0.000 2.256 34 Q HA 0.434 4.773 4.340 -0.002 0.000 0.257 34 Q C -2.551 173.586 176.000 0.228 0.000 0.936 34 Q CA -2.068 53.814 55.803 0.132 0.000 0.903 34 Q CB 2.364 31.210 28.738 0.179 0.000 1.263 34 Q HN 0.334 nan 8.270 nan 0.000 0.440 35 P HA 0.218 nan 4.420 nan 0.000 0.287 35 P C -0.954 176.522 177.300 0.293 0.000 1.294 35 P CA -0.275 62.950 63.100 0.207 0.000 0.776 35 P CB 0.268 32.040 31.700 0.120 0.000 0.889 36 F N 2.837 122.856 119.950 0.115 0.000 2.291 36 F HA 0.167 4.692 4.527 -0.002 0.000 0.368 36 F C 0.815 176.629 175.800 0.023 0.000 1.085 36 F CA -0.413 57.682 58.000 0.160 0.000 1.165 36 F CB 0.488 39.570 39.000 0.136 0.000 1.429 36 F HN 0.210 nan 8.300 nan 0.000 0.503 37 D N 3.106 123.523 120.400 0.028 0.000 2.563 37 D HA 0.164 4.803 4.640 -0.002 0.000 0.222 37 D C 0.529 176.638 176.300 -0.319 0.000 1.145 37 D CA -0.032 53.926 54.000 -0.071 0.000 1.001 37 D CB 0.464 41.262 40.800 -0.003 0.000 1.049 37 D HN 0.289 nan 8.370 nan 0.000 0.515 38 V N 0.924 120.698 119.914 -0.232 0.000 3.380 38 V HA 0.567 4.686 4.120 -0.002 0.000 0.307 38 V C 0.988 177.110 176.094 0.047 0.000 1.434 38 V CA -0.032 62.141 62.300 -0.211 0.000 1.075 38 V CB 0.080 31.803 31.823 -0.167 0.000 0.954 38 V HN 0.281 nan 8.190 nan 0.000 0.444 39 G N 1.738 110.555 108.800 0.028 0.000 2.599 39 G HA2 0.503 4.462 3.960 -0.002 0.000 0.264 39 G HA3 0.503 4.462 3.960 -0.002 0.000 0.264 39 G C -0.924 173.978 174.900 0.004 0.000 1.200 39 G CA -0.362 44.765 45.100 0.044 0.000 0.896 39 G HN 0.384 nan 8.290 nan 0.000 0.536 40 P HA 0.086 nan 4.420 nan 0.000 0.261 40 P C 1.262 178.543 177.300 -0.031 0.000 1.268 40 P CA -0.096 62.992 63.100 -0.020 0.000 0.833 40 P CB 0.452 32.122 31.700 -0.050 0.000 1.231 41 R N -0.201 120.226 120.500 -0.121 0.000 2.115 41 R HA -0.057 4.282 4.340 -0.002 0.000 0.230 41 R C -0.074 175.971 176.300 -0.424 0.000 1.111 41 R CA 1.057 56.958 56.100 -0.332 0.000 0.976 41 R CB -0.102 29.816 30.300 -0.637 0.000 0.870 41 R HN 0.120 nan 8.270 nan 0.000 0.445 42 Y N 0.047 120.410 120.300 0.104 0.000 2.331 42 Y HA 0.313 4.861 4.550 -0.002 0.000 0.334 42 Y C 0.244 176.218 175.900 0.123 0.000 0.960 42 Y CA -0.776 57.370 58.100 0.076 0.000 1.130 42 Y CB 2.035 40.507 38.460 0.020 0.000 1.164 42 Y HN -0.005 nan 8.280 nan 0.000 0.458 43 T N -1.669 113.061 114.554 0.294 0.000 2.693 43 T HA 0.409 4.758 4.350 -0.002 0.000 0.278 43 T C -0.519 174.291 174.700 0.182 0.000 0.994 43 T CA -0.995 61.250 62.100 0.241 0.000 1.033 43 T CB 1.418 70.465 68.868 0.298 0.000 1.342 43 T HN 0.735 nan 8.240 nan 0.000 0.538 44 Q N 0.140 120.014 119.800 0.124 0.000 2.447 44 Q HA -0.157 4.182 4.340 -0.002 0.000 0.348 44 Q C -1.287 174.742 176.000 0.049 0.000 1.421 44 Q CA 0.183 56.027 55.803 0.069 0.000 0.978 44 Q CB -2.487 26.280 28.738 0.048 0.000 1.191 44 Q HN 0.475 nan 8.270 nan 0.000 0.371 45 L N 1.202 122.439 121.223 0.022 0.000 2.417 45 L HA 0.352 4.691 4.340 -0.002 0.000 0.268 45 L C 0.757 177.589 176.870 -0.063 0.000 1.158 45 L CA 0.583 55.398 54.840 -0.041 0.000 0.819 45 L CB 1.071 43.053 42.059 -0.129 0.000 1.112 45 L HN 0.426 nan 8.230 nan 0.000 0.458 46 Q N 1.143 120.899 119.800 -0.074 0.000 2.397 46 Q HA 0.300 4.639 4.340 -0.002 0.000 0.275 46 Q C -1.413 174.566 176.000 -0.034 0.000 1.090 46 Q CA -0.768 55.012 55.803 -0.038 0.000 0.809 46 Q CB 2.724 31.450 28.738 -0.020 0.000 1.362 46 Q HN 0.559 nan 8.270 nan 0.000 0.431 47 Y N 2.245 122.467 120.300 -0.129 0.000 2.309 47 Y HA 0.099 4.648 4.550 -0.002 0.000 0.327 47 Y C 0.423 176.276 175.900 -0.078 0.000 1.172 47 Y CA 0.016 58.041 58.100 -0.125 0.000 1.280 47 Y CB 0.590 38.990 38.460 -0.100 0.000 1.234 47 Y HN 0.578 nan 8.280 nan 0.000 0.512 48 I N 3.432 123.566 120.570 -0.727 0.000 3.812 48 I HA 0.403 4.572 4.170 -0.002 0.000 0.292 48 I C 0.866 176.488 176.117 -0.824 0.000 1.206 48 I CA 0.743 61.693 61.300 -0.585 0.000 1.370 48 I CB 0.076 37.901 38.000 -0.293 0.000 1.328 48 I HN 0.748 nan 8.210 nan 0.000 0.453 49 G N 0.810 108.953 108.800 -1.095 0.000 2.368 49 G HA2 0.368 4.327 3.960 -0.002 0.000 0.293 49 G HA3 0.368 4.327 3.960 -0.002 0.000 0.293 49 G C -1.574 173.205 174.900 -0.203 0.000 1.467 49 G CA -0.463 44.255 45.100 -0.637 0.000 0.804 49 G HN -0.134 nan 8.290 nan 0.000 0.535 50 E N -0.828 119.374 120.200 0.004 0.000 2.227 50 E HA 0.724 5.073 4.350 -0.002 0.000 0.268 50 E C -0.096 176.475 176.600 -0.049 0.000 0.907 50 E CA -0.381 56.054 56.400 0.058 0.000 0.786 50 E CB 2.091 31.848 29.700 0.095 0.000 1.191 50 E HN 0.952 nan 8.360 nan 0.000 0.411 51 G N -0.317 108.441 108.800 -0.070 0.000 2.672 51 G HA2 0.485 4.444 3.960 -0.002 0.000 0.292 51 G HA3 0.485 4.444 3.960 -0.002 0.000 0.292 51 G C 0.005 174.769 174.900 -0.226 0.000 1.375 51 G CA -0.101 44.923 45.100 -0.127 0.000 0.890 51 G HN 0.404 nan 8.290 nan 0.000 0.476 52 A N -0.399 122.170 122.820 -0.417 0.000 2.206 52 A HA 0.275 4.594 4.320 -0.002 0.000 0.211 52 A C 0.272 177.343 177.584 -0.855 0.000 1.158 52 A CA 0.760 52.397 52.037 -0.667 0.000 0.761 52 A CB -0.253 18.241 19.000 -0.844 0.000 0.801 52 A HN 0.549 nan 8.150 nan 0.000 0.473 53 Y N -0.156 120.088 120.300 -0.093 0.000 2.557 53 Y HA 0.497 5.045 4.550 -0.002 0.000 0.352 53 Y C 0.770 176.603 175.900 -0.112 0.000 0.918 53 Y CA -0.688 57.350 58.100 -0.103 0.000 1.232 53 Y CB 0.179 38.608 38.460 -0.052 0.000 1.235 53 Y HN 0.359 nan 8.280 nan 0.000 0.596 54 G N 0.876 109.641 108.800 -0.059 0.000 2.931 54 G HA2 -0.030 3.929 3.960 -0.002 0.000 0.675 54 G HA3 -0.030 3.929 3.960 -0.002 0.000 0.675 54 G C -1.288 173.605 174.900 -0.013 0.000 1.339 54 G CA -1.042 44.022 45.100 -0.060 0.000 0.866 54 G HN 0.171 nan 8.290 nan 0.000 0.616 55 M N 2.674 122.298 119.600 0.040 0.000 2.209 55 M HA 0.678 5.156 4.480 -0.002 0.000 0.355 55 M C 0.170 176.625 176.300 0.260 0.000 1.171 55 M CA -1.016 54.388 55.300 0.173 0.000 1.069 55 M CB 1.515 34.276 32.600 0.268 0.000 1.622 55 M HN 1.210 nan 8.290 nan 0.000 0.459 56 V N 4.788 124.798 119.914 0.160 0.000 2.513 56 V HA 0.894 5.013 4.120 -0.002 0.000 0.299 56 V C -0.664 175.440 176.094 0.017 0.000 1.035 56 V CA -0.091 62.280 62.300 0.119 0.000 0.889 56 V CB 1.910 33.740 31.823 0.013 0.000 0.988 56 V HN 0.995 nan 8.190 nan 0.000 0.440 57 S N 3.993 119.694 115.700 0.003 0.000 2.671 57 S HA 0.835 5.303 4.470 -0.002 0.000 0.299 57 S C -0.207 174.349 174.600 -0.073 0.000 1.116 57 S CA -0.128 57.995 58.200 -0.129 0.000 0.912 57 S CB 1.723 64.684 63.200 -0.397 0.000 1.130 57 S HN 1.853 nan 8.310 nan 0.000 0.501 58 S N 0.203 115.859 115.700 -0.075 0.000 2.690 58 S HA 0.938 5.406 4.470 -0.002 0.000 0.291 58 S C -0.254 174.337 174.600 -0.015 0.000 1.138 58 S CA -0.455 57.723 58.200 -0.037 0.000 1.013 58 S CB 1.045 64.228 63.200 -0.027 0.000 1.053 58 S HN 1.933 nan 8.310 nan 0.000 0.539 59 A N 0.598 123.432 122.820 0.024 0.000 2.605 59 A HA 0.567 4.886 4.320 -0.002 0.000 0.294 59 A C -1.856 175.814 177.584 0.144 0.000 1.062 59 A CA -0.748 51.341 52.037 0.086 0.000 0.682 59 A CB 0.627 19.683 19.000 0.093 0.000 1.278 59 A HN 0.966 nan 8.150 nan 0.000 0.410 60 Y N 1.670 121.980 120.300 0.018 0.000 2.336 60 Y HA 0.473 5.022 4.550 -0.002 0.000 0.335 60 Y C -0.014 175.833 175.900 -0.087 0.000 1.046 60 Y CA -0.163 57.893 58.100 -0.073 0.000 1.198 60 Y CB 0.836 39.191 38.460 -0.175 0.000 1.182 60 Y HN 0.715 nan 8.280 nan 0.000 0.502 61 D N 3.689 123.787 120.400 -0.504 0.000 2.249 61 D HA 0.120 4.759 4.640 -0.002 0.000 0.246 61 D C 0.097 175.908 176.300 -0.815 0.000 1.114 61 D CA 0.026 53.791 54.000 -0.392 0.000 0.854 61 D CB 0.723 41.493 40.800 -0.050 0.000 1.132 61 D HN 0.766 nan 8.370 nan 0.000 0.461 62 H N 1.502 120.318 119.070 -0.423 0.000 2.548 62 H HA 0.047 4.602 4.556 -0.002 0.000 0.268 62 H C 1.794 177.004 175.328 -0.198 0.000 0.975 62 H CA 1.006 56.888 56.048 -0.275 0.000 1.195 62 H CB 0.596 30.289 29.762 -0.116 0.000 1.397 62 H HN 0.329 nan 8.280 nan 0.000 0.572 63 V N -1.561 118.280 119.914 -0.122 0.000 2.992 63 V HA 0.091 4.210 4.120 -0.002 0.000 0.250 63 V C 1.725 177.774 176.094 -0.074 0.000 1.090 63 V CA 0.930 63.187 62.300 -0.071 0.000 1.101 63 V CB 0.230 32.012 31.823 -0.068 0.000 0.743 63 V HN 0.172 nan 8.190 nan 0.000 0.468 64 R N -0.264 120.163 120.500 -0.120 0.000 2.362 64 R HA 0.222 4.561 4.340 -0.002 0.000 0.227 64 R C 0.196 176.416 176.300 -0.134 0.000 0.905 64 R CA -0.270 55.773 56.100 -0.094 0.000 1.067 64 R CB 0.130 30.390 30.300 -0.067 0.000 1.078 64 R HN 0.322 nan 8.270 nan 0.000 0.516 65 K N 1.039 121.301 120.400 -0.231 0.000 3.278 65 K HA -0.181 4.138 4.320 -0.002 0.000 0.270 65 K C -0.749 175.735 176.600 -0.192 0.000 0.955 65 K CA 1.005 57.159 56.287 -0.221 0.000 0.723 65 K CB -1.296 31.210 32.500 0.011 0.000 1.382 65 K HN 0.266 nan 8.250 nan 0.000 0.461 66 T N -1.440 112.876 114.554 -0.396 0.000 2.821 66 T HA 0.540 4.889 4.350 -0.002 0.000 0.306 66 T C -1.235 173.385 174.700 -0.133 0.000 1.313 66 T CA -0.940 61.081 62.100 -0.132 0.000 1.012 66 T CB 1.105 69.939 68.868 -0.057 0.000 1.298 66 T HN 0.237 nan 8.240 nan 0.000 0.502 67 R N 1.516 122.039 120.500 0.039 0.000 2.349 67 R HA 0.661 5.000 4.340 -0.002 0.000 0.299 67 R C -0.087 176.223 176.300 0.016 0.000 1.027 67 R CA -0.482 55.657 56.100 0.065 0.000 0.958 67 R CB 1.185 31.546 30.300 0.100 0.000 1.047 67 R HN 0.549 nan 8.270 nan 0.000 0.468 68 V N -0.805 119.113 119.914 0.006 0.000 3.145 68 V HA 0.932 5.051 4.120 -0.002 0.000 0.311 68 V C -0.760 175.307 176.094 -0.045 0.000 1.238 68 V CA -1.130 61.154 62.300 -0.027 0.000 1.066 68 V CB 1.812 33.601 31.823 -0.056 0.000 1.144 68 V HN 0.779 nan 8.190 nan 0.000 0.465 69 A N 0.950 123.733 122.820 -0.063 0.000 2.350 69 A HA 0.934 5.253 4.320 -0.002 0.000 0.324 69 A C -1.004 176.537 177.584 -0.072 0.000 1.118 69 A CA -0.548 51.457 52.037 -0.054 0.000 0.783 69 A CB 1.250 20.225 19.000 -0.041 0.000 1.236 69 A HN 1.789 nan 8.150 nan 0.000 0.457 70 I N 0.835 121.395 120.570 -0.017 0.000 2.534 70 I HA 0.570 4.738 4.170 -0.002 0.000 0.288 70 I C -0.785 175.422 176.117 0.150 0.000 1.077 70 I CA -0.603 60.715 61.300 0.030 0.000 1.051 70 I CB 1.901 39.926 38.000 0.042 0.000 1.234 70 I HN 0.606 nan 8.210 nan 0.000 0.425 71 K N 6.874 127.317 120.400 0.072 0.000 2.274 71 K HA 0.477 4.795 4.320 -0.002 0.000 0.262 71 K C -0.968 175.580 176.600 -0.087 0.000 0.961 71 K CA -0.688 55.628 56.287 0.048 0.000 0.833 71 K CB 1.037 33.534 32.500 -0.004 0.000 1.102 71 K HN 0.664 nan 8.250 nan 0.000 0.436 72 K N 6.737 127.024 120.400 -0.188 0.000 2.253 72 K HA 0.253 4.572 4.320 -0.002 0.000 0.277 72 K C -0.684 175.654 176.600 -0.437 0.000 1.053 72 K CA -0.666 55.247 56.287 -0.622 0.000 0.892 72 K CB 0.592 32.465 32.500 -1.046 0.000 1.102 72 K HN 0.546 nan 8.250 nan 0.000 0.469 73 I N 2.306 122.605 120.570 -0.451 0.000 2.562 73 I HA 0.252 4.421 4.170 -0.002 0.000 0.301 73 I C -0.285 175.579 176.117 -0.422 0.000 1.003 73 I CA -0.800 60.293 61.300 -0.345 0.000 1.127 73 I CB 1.760 39.598 38.000 -0.270 0.000 1.304 73 I HN 0.551 nan 8.210 nan 0.000 0.446 74 S N 5.819 121.288 115.700 -0.384 0.000 2.386 74 S HA 0.288 4.757 4.470 -0.002 0.000 0.152 74 S C -1.632 172.746 174.600 -0.369 0.000 1.511 74 S CA -0.446 57.518 58.200 -0.394 0.000 1.246 74 S CB 1.040 64.083 63.200 -0.261 0.000 1.338 74 S HN 0.602 nan 8.310 nan 0.000 0.409 75 P HA 0.186 nan 4.420 nan 0.000 0.238 75 P C 1.025 178.318 177.300 -0.011 0.000 1.183 75 P CA 0.119 63.084 63.100 -0.225 0.000 0.813 75 P CB -0.107 31.477 31.700 -0.193 0.000 0.944 76 F N 1.189 121.177 119.950 0.064 0.000 2.500 76 F HA -0.134 4.392 4.527 -0.002 0.000 0.294 76 F C 1.804 177.652 175.800 0.079 0.000 1.101 76 F CA 0.344 58.382 58.000 0.063 0.000 1.484 76 F CB -0.422 38.598 39.000 0.035 0.000 1.110 76 F HN -0.029 nan 8.300 nan 0.000 0.603 77 E N -1.125 119.239 120.200 0.273 0.000 2.498 77 E HA 0.122 4.471 4.350 -0.002 0.000 0.203 77 E C -0.553 176.175 176.600 0.214 0.000 1.013 77 E CA 0.271 56.807 56.400 0.227 0.000 0.927 77 E CB 0.206 30.041 29.700 0.224 0.000 1.012 77 E HN 0.382 nan 8.360 nan 0.000 0.482 78 H N -0.133 119.060 119.070 0.205 0.000 2.877 78 H HA 0.147 4.702 4.556 -0.002 0.000 0.347 78 H C 0.740 176.148 175.328 0.133 0.000 1.042 78 H CA -0.461 55.712 56.048 0.209 0.000 1.276 78 H CB 1.666 31.710 29.762 0.469 0.000 1.681 78 H HN -0.243 nan 8.280 nan 0.000 0.521 79 Q N 1.772 121.635 119.800 0.106 0.000 2.096 79 Q HA -0.153 4.186 4.340 -0.002 0.000 0.204 79 Q C 1.615 177.623 176.000 0.013 0.000 0.982 79 Q CA 2.492 58.326 55.803 0.051 0.000 0.850 79 Q CB 0.028 28.766 28.738 0.000 0.000 0.901 79 Q HN 0.894 nan 8.270 nan 0.000 0.422 80 T N -1.888 112.632 114.554 -0.056 0.000 2.777 80 T HA -0.150 4.199 4.350 -0.002 0.000 0.266 80 T C 1.780 176.391 174.700 -0.149 0.000 1.040 80 T CA 1.370 63.372 62.100 -0.162 0.000 1.141 80 T CB -0.751 67.940 68.868 -0.294 0.000 0.868 80 T HN 0.227 nan 8.240 nan 0.000 0.444 81 Y N 1.196 121.525 120.300 0.048 0.000 2.181 81 Y HA -0.011 4.538 4.550 -0.002 0.000 0.288 81 Y C 3.253 179.125 175.900 -0.047 0.000 1.146 81 Y CA -0.008 58.100 58.100 0.013 0.000 1.164 81 Y CB -1.295 37.195 38.460 0.049 0.000 0.982 81 Y HN 0.328 nan 8.280 nan 0.000 0.515 82 C N -0.330 119.058 119.300 0.147 0.000 2.413 82 C HA -0.231 4.228 4.460 -0.002 0.000 0.276 82 C C 2.702 177.698 174.990 0.011 0.000 1.248 82 C CA 1.097 60.171 59.018 0.094 0.000 1.742 82 C CB -1.107 26.739 27.740 0.177 0.000 2.017 82 C HN 0.588 nan 8.230 nan 0.000 0.481 83 Q N 0.057 119.838 119.800 -0.033 0.000 2.050 83 Q HA -0.173 4.166 4.340 -0.002 0.000 0.202 83 Q C 2.479 178.373 176.000 -0.176 0.000 0.980 83 Q CA 1.516 57.249 55.803 -0.117 0.000 0.840 83 Q CB -0.176 28.480 28.738 -0.136 0.000 0.898 83 Q HN 0.645 nan 8.270 nan 0.000 0.424 84 R N -0.393 120.002 120.500 -0.175 0.000 2.096 84 R HA -0.087 4.252 4.340 -0.002 0.000 0.235 84 R C 2.363 178.540 176.300 -0.205 0.000 1.127 84 R CA 1.654 57.604 56.100 -0.249 0.000 0.968 84 R CB -0.330 29.744 30.300 -0.378 0.000 0.861 84 R HN 0.228 nan 8.270 nan 0.000 0.440 85 T N 1.704 116.178 114.554 -0.133 0.000 2.674 85 T HA -0.131 4.217 4.350 -0.002 0.000 0.265 85 T C 1.727 176.372 174.700 -0.092 0.000 1.039 85 T CA 1.112 63.146 62.100 -0.109 0.000 1.150 85 T CB -0.252 68.550 68.868 -0.110 0.000 0.864 85 T HN 0.071 nan 8.240 nan 0.000 0.427 86 L N 1.217 122.393 121.223 -0.078 0.000 1.989 86 L HA -0.009 4.330 4.340 -0.002 0.000 0.211 86 L C 2.546 179.354 176.870 -0.104 0.000 1.071 86 L CA 1.838 56.640 54.840 -0.064 0.000 0.749 86 L CB -0.606 41.417 42.059 -0.059 0.000 0.890 86 L HN 0.030 nan 8.230 nan 0.000 0.431 87 R N -0.345 120.027 120.500 -0.213 0.000 2.113 87 R HA -0.273 4.066 4.340 -0.002 0.000 0.244 87 R C 2.397 178.655 176.300 -0.070 0.000 1.142 87 R CA 2.214 58.153 56.100 -0.269 0.000 0.953 87 R CB -0.416 29.642 30.300 -0.402 0.000 0.860 87 R HN 0.655 nan 8.270 nan 0.000 0.438 88 E N -0.395 119.753 120.200 -0.088 0.000 2.204 88 E HA -0.161 4.188 4.350 -0.002 0.000 0.194 88 E C 1.607 178.158 176.600 -0.082 0.000 0.989 88 E CA 0.840 57.208 56.400 -0.054 0.000 0.824 88 E CB 0.133 29.812 29.700 -0.036 0.000 0.756 88 E HN 0.274 nan 8.360 nan 0.000 0.477 89 I N 1.263 121.793 120.570 -0.067 0.000 2.233 89 I HA -0.213 3.956 4.170 -0.002 0.000 0.243 89 I C 2.377 178.457 176.117 -0.061 0.000 1.093 89 I CA 1.278 62.545 61.300 -0.055 0.000 1.380 89 I CB -1.163 36.823 38.000 -0.023 0.000 1.067 89 I HN 0.255 nan 8.210 nan 0.000 0.413 90 Q N 0.054 119.826 119.800 -0.047 0.000 2.124 90 Q HA -0.170 4.169 4.340 -0.002 0.000 0.202 90 Q C 2.245 178.102 176.000 -0.238 0.000 0.977 90 Q CA 1.234 56.988 55.803 -0.082 0.000 0.850 90 Q CB 0.116 28.877 28.738 0.038 0.000 0.901 90 Q HN 0.384 nan 8.270 nan 0.000 0.429 91 I N 0.396 120.826 120.570 -0.234 0.000 2.133 91 I HA -0.227 3.941 4.170 -0.002 0.000 0.238 91 I C 2.187 177.944 176.117 -0.599 0.000 1.074 91 I CA 1.031 62.045 61.300 -0.477 0.000 1.342 91 I CB -0.958 36.818 38.000 -0.373 0.000 1.053 91 I HN 0.262 nan 8.210 nan 0.000 0.404 92 L N 0.405 121.369 121.223 -0.432 0.000 2.046 92 L HA -0.151 4.187 4.340 -0.002 0.000 0.208 92 L C 2.545 179.366 176.870 -0.081 0.000 1.077 92 L CA 1.614 56.269 54.840 -0.308 0.000 0.747 92 L CB -1.436 40.473 42.059 -0.249 0.000 0.896 92 L HN 0.236 nan 8.230 nan 0.000 0.432 93 L N -0.922 120.274 121.223 -0.045 0.000 2.362 93 L HA -0.153 4.186 4.340 -0.002 0.000 0.219 93 L C 1.873 178.795 176.870 0.087 0.000 1.134 93 L CA 0.773 55.650 54.840 0.061 0.000 0.807 93 L CB -0.262 41.850 42.059 0.089 0.000 0.927 93 L HN 0.226 nan 8.230 nan 0.000 0.447 94 R N -1.349 119.191 120.500 0.068 0.000 2.507 94 R HA 0.195 4.533 4.340 -0.002 0.000 0.298 94 R C -0.701 175.972 176.300 0.621 0.000 0.999 94 R CA -0.234 56.010 56.100 0.241 0.000 1.082 94 R CB 0.482 30.830 30.300 0.080 0.000 1.246 94 R HN -0.013 nan 8.270 nan 0.000 0.553 95 F N 0.409 120.480 119.950 0.201 0.000 2.561 95 F HA 0.523 5.048 4.527 -0.002 0.000 0.321 95 F C 0.038 175.934 175.800 0.160 0.000 1.065 95 F CA -1.784 56.383 58.000 0.278 0.000 0.934 95 F CB 1.701 40.837 39.000 0.227 0.000 1.215 95 F HN -0.237 nan 8.300 nan 0.000 0.471 96 R N 2.771 123.415 120.500 0.240 0.000 2.912 96 R HA 0.246 4.585 4.340 -0.002 0.000 0.278 96 R C -2.145 174.010 176.300 -0.242 0.000 1.533 96 R CA -0.303 55.814 56.100 0.027 0.000 1.061 96 R CB 0.599 30.927 30.300 0.048 0.000 1.313 96 R HN 0.838 nan 8.270 nan 0.000 0.443 97 H N 2.403 121.249 119.070 -0.372 0.000 3.038 97 H HA 0.155 4.710 4.556 -0.002 0.000 0.362 97 H C -0.151 175.027 175.328 -0.250 0.000 1.167 97 H CA -0.351 55.389 56.048 -0.514 0.000 1.197 97 H CB 1.996 31.180 29.762 -0.963 0.000 1.840 97 H HN 0.662 nan 8.280 nan 0.000 0.540 98 E N 2.113 122.044 120.200 -0.449 0.000 2.160 98 E HA -0.171 4.178 4.350 -0.002 0.000 0.195 98 E C 0.237 176.861 176.600 0.040 0.000 0.991 98 E CA 1.293 57.587 56.400 -0.176 0.000 0.810 98 E CB 0.154 29.712 29.700 -0.237 0.000 0.742 98 E HN 0.504 nan 8.360 nan 0.000 0.466 99 N N 0.007 118.912 118.700 0.341 0.000 2.295 99 N HA 0.072 4.811 4.740 -0.002 0.000 0.221 99 N C -1.206 174.365 175.510 0.100 0.000 1.129 99 N CA -0.157 52.987 53.050 0.157 0.000 0.836 99 N CB 1.099 39.627 38.487 0.069 0.000 1.040 99 N HN -0.157 nan 8.380 nan 0.000 0.494 100 V N 1.541 121.534 119.914 0.131 0.000 2.686 100 V HA 0.348 4.467 4.120 -0.002 0.000 0.306 100 V C -0.402 175.752 176.094 0.100 0.000 1.065 100 V CA -1.270 61.116 62.300 0.144 0.000 0.894 100 V CB 1.519 33.446 31.823 0.173 0.000 1.004 100 V HN 0.017 nan 8.190 nan 0.000 0.424 101 I N 2.813 123.447 120.570 0.107 0.000 2.648 101 I HA 0.584 4.753 4.170 -0.002 0.000 0.284 101 I C 1.007 177.142 176.117 0.029 0.000 1.153 101 I CA 0.532 61.867 61.300 0.058 0.000 1.426 101 I CB -0.310 37.728 38.000 0.064 0.000 1.381 101 I HN 0.639 nan 8.210 nan 0.000 0.571 102 G N 5.281 114.094 108.800 0.021 0.000 2.552 102 G HA2 0.764 4.723 3.960 -0.002 0.000 0.318 102 G HA3 0.764 4.723 3.960 -0.002 0.000 0.318 102 G C -0.668 174.230 174.900 -0.003 0.000 1.240 102 G CA -0.925 44.187 45.100 0.021 0.000 1.002 102 G HN 0.614 nan 8.290 nan 0.000 0.493 103 I N 0.654 121.226 120.570 0.003 0.000 2.355 103 I HA 0.301 4.470 4.170 -0.002 0.000 0.288 103 I C 1.355 177.463 176.117 -0.014 0.000 0.999 103 I CA -0.582 60.689 61.300 -0.048 0.000 1.163 103 I CB 2.215 40.165 38.000 -0.083 0.000 1.316 103 I HN 0.703 nan 8.210 nan 0.000 0.454 104 R N 3.698 124.168 120.500 -0.050 0.000 2.140 104 R HA 0.075 4.414 4.340 -0.002 0.000 0.213 104 R C -0.214 176.077 176.300 -0.016 0.000 1.059 104 R CA 1.033 57.142 56.100 0.014 0.000 1.000 104 R CB 0.436 30.742 30.300 0.010 0.000 0.910 104 R HN 0.701 nan 8.270 nan 0.000 0.455 105 D N -1.154 119.077 120.400 -0.281 0.000 2.671 105 D HA 0.413 5.051 4.640 -0.002 0.000 0.273 105 D C -1.598 174.266 176.300 -0.727 0.000 1.264 105 D CA -0.532 53.156 54.000 -0.520 0.000 0.788 105 D CB 1.712 42.475 40.800 -0.061 0.000 1.324 105 D HN 0.073 nan 8.370 nan 0.000 0.424 106 I N 1.541 121.666 120.570 -0.742 0.000 2.644 106 I HA 0.344 4.512 4.170 -0.002 0.000 0.291 106 I C -0.848 175.212 176.117 -0.096 0.000 1.180 106 I CA -0.704 60.353 61.300 -0.406 0.000 1.040 106 I CB 1.881 39.599 38.000 -0.471 0.000 1.255 106 I HN 0.233 nan 8.210 nan 0.000 0.422 107 L N 5.763 126.994 121.223 0.014 0.000 2.333 107 L HA 0.785 5.123 4.340 -0.002 0.000 0.269 107 L C -0.832 176.123 176.870 0.143 0.000 1.010 107 L CA -0.871 54.018 54.840 0.081 0.000 0.818 107 L CB 2.124 44.218 42.059 0.059 0.000 1.306 107 L HN 0.701 nan 8.230 nan 0.000 0.430 108 R N 0.847 121.413 120.500 0.109 0.000 3.321 108 R HA 0.490 4.829 4.340 -0.002 0.000 0.271 108 R C -1.206 175.143 176.300 0.082 0.000 0.994 108 R CA -0.348 55.827 56.100 0.125 0.000 0.920 108 R CB -0.018 30.327 30.300 0.076 0.000 1.271 108 R HN 0.649 nan 8.270 nan 0.000 0.531 109 A N 1.191 124.093 122.820 0.136 0.000 2.632 109 A HA 0.154 4.472 4.320 -0.002 0.000 0.229 109 A C 0.737 178.418 177.584 0.162 0.000 1.047 109 A CA 0.685 52.811 52.037 0.149 0.000 0.754 109 A CB -0.131 18.979 19.000 0.184 0.000 0.969 109 A HN 0.746 nan 8.150 nan 0.000 0.509 110 S N -0.350 115.444 115.700 0.156 0.000 2.481 110 S HA 0.036 4.504 4.470 -0.002 0.000 0.231 110 S C 0.968 175.786 174.600 0.362 0.000 0.996 110 S CA 1.237 59.546 58.200 0.182 0.000 0.942 110 S CB -0.356 62.913 63.200 0.115 0.000 0.768 110 S HN 1.134 nan 8.310 nan 0.000 0.520 111 T N -1.266 113.493 114.554 0.342 0.000 2.907 111 T HA 0.536 4.885 4.350 -0.002 0.000 0.292 111 T C 0.630 175.346 174.700 0.026 0.000 1.043 111 T CA -0.804 61.402 62.100 0.177 0.000 1.003 111 T CB 1.452 70.341 68.868 0.034 0.000 1.084 111 T HN -0.096 nan 8.240 nan 0.000 0.483 112 L N 0.776 121.642 121.223 -0.596 0.000 2.042 112 L HA -0.002 4.337 4.340 -0.002 0.000 0.210 112 L C 2.445 179.162 176.870 -0.255 0.000 1.076 112 L CA 1.934 56.373 54.840 -0.668 0.000 0.749 112 L CB -0.900 40.701 42.059 -0.763 0.000 0.893 112 L HN 0.783 nan 8.230 nan 0.000 0.432 113 E N -0.088 120.006 120.200 -0.176 0.000 2.077 113 E HA -0.125 4.224 4.350 -0.002 0.000 0.193 113 E C 2.156 178.731 176.600 -0.042 0.000 0.989 113 E CA 1.373 57.710 56.400 -0.104 0.000 0.800 113 E CB -0.369 29.285 29.700 -0.076 0.000 0.746 113 E HN 0.602 nan 8.360 nan 0.000 0.452 114 A N 0.657 123.480 122.820 0.005 0.000 2.119 114 A HA -0.011 4.308 4.320 -0.002 0.000 0.217 114 A C 1.587 179.227 177.584 0.092 0.000 1.153 114 A CA 0.166 52.234 52.037 0.051 0.000 0.692 114 A CB -0.430 18.611 19.000 0.068 0.000 0.799 114 A HN 0.277 nan 8.150 nan 0.000 0.458 115 M N 0.945 120.615 119.600 0.116 0.000 2.292 115 M HA 0.143 4.622 4.480 -0.002 0.000 0.342 115 M C 0.303 176.727 176.300 0.208 0.000 1.538 115 M CA 0.049 55.461 55.300 0.187 0.000 1.163 115 M CB 0.270 33.034 32.600 0.273 0.000 1.823 115 M HN 0.102 nan 8.290 nan 0.000 0.462 116 R N 2.722 123.388 120.500 0.278 0.000 2.419 116 R HA 0.304 4.643 4.340 -0.002 0.000 0.235 116 R C -0.896 175.550 176.300 0.244 0.000 0.899 116 R CA 0.281 56.584 56.100 0.338 0.000 1.048 116 R CB 0.282 30.682 30.300 0.167 0.000 1.182 116 R HN 0.710 nan 8.270 nan 0.000 0.544 117 D N -1.132 119.358 120.400 0.151 0.000 2.583 117 D HA 0.440 5.079 4.640 -0.002 0.000 0.248 117 D C -1.261 174.954 176.300 -0.142 0.000 1.209 117 D CA -0.654 53.260 54.000 -0.143 0.000 0.848 117 D CB 2.341 42.957 40.800 -0.307 0.000 1.431 117 D HN -0.346 nan 8.370 nan 0.000 0.436 118 V N 1.165 120.853 119.914 -0.378 0.000 2.569 118 V HA 0.356 4.475 4.120 -0.002 0.000 0.301 118 V C -1.511 174.316 176.094 -0.446 0.000 1.044 118 V CA -0.746 61.400 62.300 -0.257 0.000 0.874 118 V CB 1.031 32.755 31.823 -0.165 0.000 1.002 118 V HN 0.504 nan 8.190 nan 0.000 0.424 119 Y N 4.782 124.996 120.300 -0.143 0.000 2.342 119 Y HA 0.583 5.131 4.550 -0.002 0.000 0.338 119 Y C 0.165 175.959 175.900 -0.177 0.000 0.965 119 Y CA -1.028 56.972 58.100 -0.166 0.000 1.159 119 Y CB 1.295 39.662 38.460 -0.154 0.000 1.157 119 Y HN 0.367 nan 8.280 nan 0.000 0.486 120 I N 5.221 125.750 120.570 -0.069 0.000 2.307 120 I HA 0.237 4.406 4.170 -0.002 0.000 0.289 120 I C -0.285 175.755 176.117 -0.128 0.000 1.021 120 I CA -0.858 60.364 61.300 -0.130 0.000 1.224 120 I CB 0.718 38.648 38.000 -0.116 0.000 1.376 120 I HN 0.255 nan 8.210 nan 0.000 0.470 121 V N 7.518 127.316 119.914 -0.193 0.000 2.498 121 V HA 0.386 4.505 4.120 -0.002 0.000 0.279 121 V C 0.140 176.149 176.094 -0.143 0.000 1.048 121 V CA -0.444 61.730 62.300 -0.212 0.000 0.967 121 V CB 1.169 32.815 31.823 -0.295 0.000 0.988 121 V HN 0.758 nan 8.190 nan 0.000 0.473 122 Q N 1.531 121.268 119.800 -0.105 0.000 2.501 122 Q HA 0.407 4.745 4.340 -0.002 0.000 0.288 122 Q C -1.410 174.564 176.000 -0.044 0.000 1.051 122 Q CA -1.050 54.716 55.803 -0.061 0.000 0.788 122 Q CB 1.762 30.475 28.738 -0.042 0.000 1.469 122 Q HN 0.642 nan 8.270 nan 0.000 0.416 123 D N 1.341 121.727 120.400 -0.023 0.000 2.488 123 D HA 0.047 4.686 4.640 -0.002 0.000 0.238 123 D C -0.643 175.646 176.300 -0.018 0.000 1.138 123 D CA 0.073 54.064 54.000 -0.015 0.000 0.873 123 D CB 0.577 41.374 40.800 -0.005 0.000 1.183 123 D HN 0.231 nan 8.370 nan 0.000 0.458 124 L N 3.734 124.947 121.223 -0.017 0.000 2.313 124 L HA 0.180 4.519 4.340 -0.002 0.000 0.282 124 L C -0.551 176.310 176.870 -0.014 0.000 1.092 124 L CA 0.023 54.852 54.840 -0.018 0.000 0.831 124 L CB 0.382 42.433 42.059 -0.013 0.000 1.159 124 L HN 0.196 nan 8.230 nan 0.000 0.442 125 M N 3.328 122.915 119.600 -0.021 0.000 2.363 125 M HA 0.256 4.734 4.480 -0.002 0.000 0.343 125 M C 0.933 177.218 176.300 -0.025 0.000 1.165 125 M CA -0.452 54.835 55.300 -0.021 0.000 1.046 125 M CB 1.529 34.112 32.600 -0.029 0.000 1.648 125 M HN 0.571 nan 8.290 nan 0.000 0.452 126 E N 1.119 121.308 120.200 -0.019 0.000 2.077 126 E HA -0.046 4.302 4.350 -0.002 0.000 0.193 126 E C 0.701 177.285 176.600 -0.027 0.000 0.989 126 E CA 1.103 57.493 56.400 -0.017 0.000 0.800 126 E CB 0.325 30.022 29.700 -0.005 0.000 0.746 126 E HN 0.766 nan 8.360 nan 0.000 0.452 127 T N -1.659 112.873 114.554 -0.037 0.000 2.637 127 T HA 0.389 4.737 4.350 -0.002 0.000 0.303 127 T C -2.119 172.542 174.700 -0.065 0.000 1.288 127 T CA -0.347 61.728 62.100 -0.043 0.000 1.040 127 T CB 0.782 69.631 68.868 -0.032 0.000 1.644 127 T HN 0.100 nan 8.240 nan 0.000 0.480 128 D N 0.522 120.886 120.400 -0.060 0.000 2.596 128 D HA 0.375 5.014 4.640 -0.002 0.000 0.234 128 D C 0.990 177.240 176.300 -0.084 0.000 1.181 128 D CA -0.832 53.118 54.000 -0.084 0.000 0.856 128 D CB 0.347 41.117 40.800 -0.051 0.000 1.498 128 D HN 0.334 nan 8.370 nan 0.000 0.446 129 L N 0.856 121.990 121.223 -0.147 0.000 2.089 129 L HA -0.190 4.149 4.340 -0.002 0.000 0.213 129 L C 1.664 178.519 176.870 -0.024 0.000 1.079 129 L CA 1.943 56.697 54.840 -0.143 0.000 0.758 129 L CB -1.178 40.774 42.059 -0.178 0.000 0.891 129 L HN 0.748 nan 8.230 nan 0.000 0.433 130 Y N 0.835 121.088 120.300 -0.078 0.000 2.224 130 Y HA -0.251 4.298 4.550 -0.002 0.000 0.289 130 Y C 2.416 178.308 175.900 -0.013 0.000 1.146 130 Y CA 1.740 59.825 58.100 -0.026 0.000 1.182 130 Y CB 0.046 38.491 38.460 -0.025 0.000 0.983 130 Y HN 0.093 nan 8.280 nan 0.000 0.524 131 K N 0.214 120.673 120.400 0.098 0.000 2.103 131 K HA -0.106 4.213 4.320 -0.002 0.000 0.204 131 K C 2.226 178.793 176.600 -0.056 0.000 1.052 131 K CA 0.983 57.285 56.287 0.025 0.000 0.945 131 K CB -0.769 31.766 32.500 0.059 0.000 0.722 131 K HN 0.419 nan 8.250 nan 0.000 0.443 132 L N 0.901 122.095 121.223 -0.049 0.000 2.027 132 L HA -0.110 4.229 4.340 -0.002 0.000 0.206 132 L C 2.272 179.117 176.870 -0.042 0.000 1.074 132 L CA 1.034 55.853 54.840 -0.035 0.000 0.745 132 L CB -0.236 41.804 42.059 -0.032 0.000 0.898 132 L HN 0.125 nan 8.230 nan 0.000 0.433 133 L N -0.707 120.470 121.223 -0.078 0.000 2.275 133 L HA -0.189 4.149 4.340 -0.002 0.000 0.215 133 L C 2.465 179.265 176.870 -0.116 0.000 1.119 133 L CA 0.763 55.557 54.840 -0.077 0.000 0.790 133 L CB -0.415 41.596 42.059 -0.080 0.000 0.919 133 L HN 0.224 nan 8.230 nan 0.000 0.443 134 K N -0.680 119.610 120.400 -0.184 0.000 2.243 134 K HA 0.054 4.372 4.320 -0.002 0.000 0.201 134 K C 2.160 178.715 176.600 -0.074 0.000 1.051 134 K CA 0.658 56.846 56.287 -0.166 0.000 0.970 134 K CB 0.329 32.688 32.500 -0.236 0.000 0.755 134 K HN 0.163 nan 8.250 nan 0.000 0.465 135 S N 0.904 116.572 115.700 -0.053 0.000 2.421 135 S HA -0.039 4.429 4.470 -0.002 0.000 0.224 135 S C 0.883 175.479 174.600 -0.005 0.000 1.035 135 S CA 0.410 58.598 58.200 -0.021 0.000 0.953 135 S CB 0.264 63.457 63.200 -0.012 0.000 0.810 135 S HN 0.440 nan 8.310 nan 0.000 0.497 136 Q N -0.178 119.622 119.800 0.000 0.000 2.648 136 Q HA 0.481 4.819 4.340 -0.002 0.000 0.300 136 Q C -1.387 174.633 176.000 0.034 0.000 0.954 136 Q CA -0.980 54.834 55.803 0.019 0.000 0.757 136 Q CB 1.024 29.778 28.738 0.027 0.000 1.482 136 Q HN 0.052 nan 8.270 nan 0.000 0.437 137 Q N 1.053 120.882 119.800 0.048 0.000 2.243 137 Q HA 0.461 4.799 4.340 -0.002 0.000 0.252 137 Q C -1.204 174.855 176.000 0.099 0.000 0.909 137 Q CA -0.496 55.345 55.803 0.063 0.000 0.922 137 Q CB 1.015 29.787 28.738 0.056 0.000 1.215 137 Q HN 0.629 nan 8.270 nan 0.000 0.427 138 L N 2.335 123.632 121.223 0.123 0.000 2.357 138 L HA 0.360 4.699 4.340 -0.002 0.000 0.273 138 L C 0.414 177.393 176.870 0.181 0.000 1.080 138 L CA -0.621 54.333 54.840 0.190 0.000 0.803 138 L CB 1.571 43.755 42.059 0.209 0.000 1.174 138 L HN 0.755 nan 8.230 nan 0.000 0.443 139 S N 0.239 116.091 115.700 0.254 0.000 2.632 139 S HA 0.084 4.552 4.470 -0.002 0.000 0.267 139 S C 0.749 175.362 174.600 0.022 0.000 1.276 139 S CA -0.648 57.584 58.200 0.053 0.000 0.998 139 S CB 1.184 64.267 63.200 -0.195 0.000 0.953 139 S HN 0.766 nan 8.310 nan 0.000 0.547 140 N N 0.680 119.381 118.700 0.002 0.000 2.166 140 N HA -0.181 4.557 4.740 -0.002 0.000 0.186 140 N C 0.581 176.108 175.510 0.028 0.000 1.019 140 N CA 1.485 54.570 53.050 0.058 0.000 0.856 140 N CB -0.300 38.232 38.487 0.076 0.000 0.993 140 N HN 0.648 nan 8.380 nan 0.000 0.426 141 D N 0.128 120.469 120.400 -0.098 0.000 2.123 141 D HA -0.142 4.496 4.640 -0.002 0.000 0.196 141 D C 1.642 177.897 176.300 -0.075 0.000 0.992 141 D CA 1.226 55.154 54.000 -0.121 0.000 0.833 141 D CB -0.596 40.061 40.800 -0.239 0.000 0.954 141 D HN 0.563 nan 8.370 nan 0.000 0.455 142 H N 0.233 119.261 119.070 -0.071 0.000 2.321 142 H HA 0.007 4.562 4.556 -0.002 0.000 0.300 142 H C 2.401 177.589 175.328 -0.234 0.000 1.087 142 H CA 0.578 56.475 56.048 -0.251 0.000 1.319 142 H CB 0.035 29.656 29.762 -0.235 0.000 1.379 142 H HN 0.067 nan 8.280 nan 0.000 0.501 143 I N -0.010 120.624 120.570 0.107 0.000 2.163 143 I HA -0.371 3.798 4.170 -0.002 0.000 0.243 143 I C 2.776 178.994 176.117 0.169 0.000 1.085 143 I CA 1.015 62.419 61.300 0.172 0.000 1.347 143 I CB -0.299 37.811 38.000 0.184 0.000 1.044 143 I HN 0.456 nan 8.210 nan 0.000 0.408 144 C N 0.074 119.451 119.300 0.127 0.000 2.429 144 C HA -0.247 4.212 4.460 -0.002 0.000 0.277 144 C C 2.895 177.953 174.990 0.114 0.000 1.262 144 C CA 0.798 59.809 59.018 -0.011 0.000 1.733 144 C CB -0.966 26.655 27.740 -0.198 0.000 2.010 144 C HN 0.583 nan 8.230 nan 0.000 0.483 145 Y N 0.352 120.622 120.300 -0.049 0.000 2.242 145 Y HA -0.004 4.545 4.550 -0.002 0.000 0.291 145 Y C 1.941 177.809 175.900 -0.052 0.000 1.137 145 Y CA 1.624 59.593 58.100 -0.219 0.000 1.181 145 Y CB -0.825 37.471 38.460 -0.273 0.000 0.989 145 Y HN 0.338 nan 8.280 nan 0.000 0.527 146 F N -0.802 119.084 119.950 -0.106 0.000 2.146 146 F HA -0.131 4.395 4.527 -0.002 0.000 0.298 146 F C 2.242 177.943 175.800 -0.165 0.000 1.096 146 F CA 0.859 58.734 58.000 -0.208 0.000 1.275 146 F CB -1.370 37.582 39.000 -0.080 0.000 1.008 146 F HN 0.137 nan 8.300 nan 0.000 0.480 147 L N -0.742 120.561 121.223 0.134 0.000 2.046 147 L HA -0.250 4.088 4.340 -0.002 0.000 0.208 147 L C 2.351 179.232 176.870 0.019 0.000 1.077 147 L CA 1.714 56.597 54.840 0.072 0.000 0.747 147 L CB -1.258 40.878 42.059 0.127 0.000 0.896 147 L HN 0.208 nan 8.230 nan 0.000 0.432 148 Y N 0.468 120.722 120.300 -0.076 0.000 2.081 148 Y HA -0.338 4.211 4.550 -0.002 0.000 0.280 148 Y C 2.591 178.423 175.900 -0.113 0.000 1.163 148 Y CA 2.366 60.413 58.100 -0.088 0.000 1.135 148 Y CB -0.555 37.787 38.460 -0.196 0.000 0.970 148 Y HN 0.390 nan 8.280 nan 0.000 0.498 149 Q N -0.207 119.335 119.800 -0.429 0.000 2.124 149 Q HA -0.176 4.163 4.340 -0.002 0.000 0.202 149 Q C 2.376 178.194 176.000 -0.303 0.000 0.977 149 Q CA 1.987 57.537 55.803 -0.422 0.000 0.850 149 Q CB -0.225 28.315 28.738 -0.330 0.000 0.901 149 Q HN 0.572 nan 8.270 nan 0.000 0.429 150 I N 0.622 121.057 120.570 -0.224 0.000 2.127 150 I HA -0.318 3.851 4.170 -0.002 0.000 0.241 150 I C 2.204 178.198 176.117 -0.204 0.000 1.075 150 I CA 1.261 62.447 61.300 -0.189 0.000 1.334 150 I CB -0.350 37.563 38.000 -0.144 0.000 1.040 150 I HN 0.212 nan 8.210 nan 0.000 0.405 151 L N 0.220 121.328 121.223 -0.192 0.000 2.131 151 L HA -0.197 4.142 4.340 -0.002 0.000 0.210 151 L C 2.726 179.477 176.870 -0.199 0.000 1.092 151 L CA 1.160 55.904 54.840 -0.160 0.000 0.759 151 L CB -0.578 41.436 42.059 -0.076 0.000 0.903 151 L HN 0.257 nan 8.230 nan 0.000 0.435 152 R N 0.224 120.529 120.500 -0.325 0.000 2.189 152 R HA -0.099 4.240 4.340 -0.002 0.000 0.223 152 R C 2.140 178.283 176.300 -0.260 0.000 1.092 152 R CA 1.134 57.064 56.100 -0.284 0.000 0.989 152 R CB -0.166 29.866 30.300 -0.446 0.000 0.876 152 R HN 0.361 nan 8.270 nan 0.000 0.457 153 G N 0.692 109.314 108.800 -0.296 0.000 2.408 153 G HA2 -0.153 3.805 3.960 -0.002 0.000 0.213 153 G HA3 -0.153 3.805 3.960 -0.002 0.000 0.213 153 G C 1.388 176.136 174.900 -0.253 0.000 1.177 153 G CA -0.036 44.843 45.100 -0.369 0.000 0.802 153 G HN 0.185 nan 8.290 nan 0.000 0.533 154 L N 0.454 121.537 121.223 -0.232 0.000 2.079 154 L HA -0.095 4.243 4.340 -0.002 0.000 0.210 154 L C 2.859 179.546 176.870 -0.304 0.000 1.081 154 L CA 1.820 56.466 54.840 -0.324 0.000 0.752 154 L CB -0.300 41.535 42.059 -0.373 0.000 0.896 154 L HN 0.317 nan 8.230 nan 0.000 0.433 155 K N -0.610 119.695 120.400 -0.160 0.000 1.991 155 K HA -0.294 4.025 4.320 -0.002 0.000 0.212 155 K C 2.255 178.829 176.600 -0.043 0.000 1.049 155 K CA 1.998 58.260 56.287 -0.042 0.000 0.932 155 K CB -0.478 32.025 32.500 0.005 0.000 0.717 155 K HN 0.148 nan 8.250 nan 0.000 0.441 156 Y N 1.363 121.525 120.300 -0.230 0.000 2.081 156 Y HA -0.294 4.255 4.550 -0.002 0.000 0.280 156 Y C 2.110 177.833 175.900 -0.296 0.000 1.163 156 Y CA 1.915 59.845 58.100 -0.283 0.000 1.135 156 Y CB -0.562 37.610 38.460 -0.480 0.000 0.970 156 Y HN 0.217 nan 8.280 nan 0.000 0.498 157 I N 0.205 120.636 120.570 -0.232 0.000 2.163 157 I HA -0.348 3.820 4.170 -0.002 0.000 0.243 157 I C 2.341 178.477 176.117 0.032 0.000 1.085 157 I CA 2.103 63.361 61.300 -0.071 0.000 1.347 157 I CB -0.925 37.234 38.000 0.265 0.000 1.044 157 I HN 0.394 nan 8.210 nan 0.000 0.408 158 H N -0.604 118.439 119.070 -0.044 0.000 2.456 158 H HA -0.099 4.456 4.556 -0.002 0.000 0.296 158 H C 2.351 177.622 175.328 -0.095 0.000 1.079 158 H CA 0.991 57.023 56.048 -0.028 0.000 1.322 158 H CB 0.025 29.787 29.762 -0.000 0.000 1.388 158 H HN 0.511 nan 8.280 nan 0.000 0.538 159 S N 0.219 115.884 115.700 -0.057 0.000 2.474 159 S HA -0.009 4.459 4.470 -0.002 0.000 0.235 159 S C 1.921 176.380 174.600 -0.236 0.000 0.997 159 S CA 0.580 58.695 58.200 -0.142 0.000 0.949 159 S CB 0.183 63.273 63.200 -0.183 0.000 0.766 159 S HN 0.394 nan 8.310 nan 0.000 0.517 160 A N 1.000 123.635 122.820 -0.309 0.000 2.348 160 A HA 0.438 4.756 4.320 -0.002 0.000 0.224 160 A C 0.827 178.285 177.584 -0.211 0.000 1.227 160 A CA 0.128 51.918 52.037 -0.412 0.000 0.885 160 A CB -0.631 17.973 19.000 -0.661 0.000 0.933 160 A HN 0.547 nan 8.150 nan 0.000 0.506 161 N N -1.239 117.415 118.700 -0.077 0.000 2.780 161 N HA -0.138 4.601 4.740 -0.002 0.000 0.248 161 N C -0.916 174.643 175.510 0.082 0.000 1.102 161 N CA 0.921 53.967 53.050 -0.007 0.000 0.697 161 N CB -1.700 36.770 38.487 -0.029 0.000 1.028 161 N HN 0.197 nan 8.380 nan 0.000 0.554 162 V N 1.206 121.224 119.914 0.174 0.000 2.513 162 V HA 0.545 4.664 4.120 -0.002 0.000 0.299 162 V C 0.562 176.856 176.094 0.332 0.000 1.035 162 V CA -0.731 61.740 62.300 0.285 0.000 0.889 162 V CB 1.891 33.978 31.823 0.440 0.000 0.988 162 V HN 0.155 nan 8.190 nan 0.000 0.440 163 L N 3.791 125.179 121.223 0.274 0.000 2.313 163 L HA 0.489 4.828 4.340 -0.002 0.000 0.283 163 L C 1.306 178.306 176.870 0.217 0.000 1.013 163 L CA -0.640 54.364 54.840 0.273 0.000 0.816 163 L CB 1.365 43.544 42.059 0.200 0.000 1.236 163 L HN 0.761 nan 8.230 nan 0.000 0.419 164 H N 4.454 123.578 119.070 0.090 0.000 2.299 164 H HA -0.050 4.504 4.556 -0.002 0.000 0.302 164 H C 0.771 176.057 175.328 -0.070 0.000 1.078 164 H CA 1.969 57.944 56.048 -0.121 0.000 1.323 164 H CB 0.502 30.090 29.762 -0.291 0.000 1.381 164 H HN 0.663 nan 8.280 nan 0.000 0.498 165 R N -0.553 120.034 120.500 0.146 0.000 3.840 165 R HA -0.185 4.153 4.340 -0.002 0.000 0.464 165 R C -0.505 175.865 176.300 0.116 0.000 0.986 165 R CA 1.147 57.313 56.100 0.111 0.000 1.305 165 R CB -1.580 28.753 30.300 0.055 0.000 1.950 165 R HN 0.411 nan 8.270 nan 0.000 0.526 166 D N 0.016 120.562 120.400 0.244 0.000 3.118 166 D HA 0.222 4.860 4.640 -0.002 0.000 0.352 166 D C -0.565 175.849 176.300 0.190 0.000 1.498 166 D CA -0.235 53.867 54.000 0.169 0.000 0.759 166 D CB 0.417 41.241 40.800 0.041 0.000 1.251 166 D HN 0.104 nan 8.370 nan 0.000 0.504 167 L N 1.703 122.974 121.223 0.080 0.000 2.453 167 L HA 0.324 4.663 4.340 -0.002 0.000 0.272 167 L C 0.458 177.146 176.870 -0.304 0.000 1.182 167 L CA 0.572 55.276 54.840 -0.226 0.000 0.858 167 L CB 0.490 42.419 42.059 -0.217 0.000 1.120 167 L HN 0.191 nan 8.230 nan 0.000 0.474 168 K N 1.567 121.733 120.400 -0.389 0.000 2.772 168 K HA 0.314 4.633 4.320 -0.002 0.000 0.292 168 K C -2.828 173.580 176.600 -0.321 0.000 1.049 168 K CA -1.340 54.591 56.287 -0.592 0.000 0.846 168 K CB 0.768 32.790 32.500 -0.796 0.000 1.514 168 K HN -0.075 nan 8.250 nan 0.000 0.373 169 P HA -0.255 nan 4.420 nan 0.000 0.216 169 P C 1.260 178.533 177.300 -0.045 0.000 1.153 169 P CA 2.139 65.201 63.100 -0.064 0.000 0.858 169 P CB 0.033 31.790 31.700 0.095 0.000 0.789 170 S N -1.640 114.027 115.700 -0.056 0.000 2.474 170 S HA -0.097 4.372 4.470 -0.002 0.000 0.235 170 S C 1.324 175.861 174.600 -0.105 0.000 0.997 170 S CA 0.976 59.121 58.200 -0.093 0.000 0.949 170 S CB -1.360 61.713 63.200 -0.212 0.000 0.766 170 S HN 0.250 nan 8.310 nan 0.000 0.517 171 N N 0.756 119.378 118.700 -0.130 0.000 2.279 171 N HA 0.349 5.088 4.740 -0.002 0.000 0.226 171 N C -1.153 174.269 175.510 -0.146 0.000 1.126 171 N CA -0.083 52.898 53.050 -0.115 0.000 0.846 171 N CB 0.334 38.750 38.487 -0.118 0.000 1.050 171 N HN 0.355 nan 8.380 nan 0.000 0.502 172 L N 1.843 122.980 121.223 -0.144 0.000 2.442 172 L HA 0.397 4.736 4.340 -0.002 0.000 0.261 172 L C -1.069 175.703 176.870 -0.163 0.000 1.000 172 L CA -0.823 53.914 54.840 -0.171 0.000 0.882 172 L CB 1.137 43.066 42.059 -0.217 0.000 1.207 172 L HN -0.082 nan 8.230 nan 0.000 0.443 173 L N 4.173 125.323 121.223 -0.122 0.000 2.380 173 L HA 0.426 4.765 4.340 -0.002 0.000 0.273 173 L C -0.049 176.737 176.870 -0.140 0.000 1.138 173 L CA 0.396 55.173 54.840 -0.106 0.000 0.832 173 L CB 0.896 42.922 42.059 -0.055 0.000 1.124 173 L HN 0.363 nan 8.230 nan 0.000 0.454 174 I N 2.688 123.178 120.570 -0.133 0.000 2.582 174 I HA 0.386 4.555 4.170 -0.002 0.000 0.292 174 I C -0.388 175.705 176.117 -0.040 0.000 1.066 174 I CA -0.734 60.493 61.300 -0.122 0.000 1.053 174 I CB 2.033 39.898 38.000 -0.224 0.000 1.241 174 I HN 0.721 nan 8.210 nan 0.000 0.421 175 N N 1.345 120.049 118.700 0.007 0.000 2.604 175 N HA 0.283 5.021 4.740 -0.002 0.000 0.297 175 N C 0.836 176.372 175.510 0.045 0.000 1.266 175 N CA -0.243 52.820 53.050 0.021 0.000 0.961 175 N CB 0.047 38.550 38.487 0.026 0.000 1.166 175 N HN 0.629 nan 8.380 nan 0.000 0.601 176 T N -4.665 109.912 114.554 0.038 0.000 2.881 176 T HA -0.167 4.182 4.350 -0.002 0.000 0.270 176 T C 1.313 176.049 174.700 0.059 0.000 1.068 176 T CA 1.640 63.764 62.100 0.041 0.000 1.131 176 T CB -1.266 67.620 68.868 0.029 0.000 0.871 176 T HN 0.756 nan 8.240 nan 0.000 0.479 177 T N -2.304 112.293 114.554 0.071 0.000 3.235 177 T HA 0.316 4.665 4.350 -0.002 0.000 0.251 177 T C 1.196 175.989 174.700 0.155 0.000 1.060 177 T CA 0.121 62.275 62.100 0.091 0.000 0.949 177 T CB -1.428 67.487 68.868 0.078 0.000 1.020 177 T HN 0.561 nan 8.240 nan 0.000 0.564 178 C N 0.662 120.075 119.300 0.190 0.000 4.784 178 C HA -0.156 4.303 4.460 -0.002 0.000 0.261 178 C C 0.507 175.719 174.990 0.370 0.000 1.492 178 C CA 0.287 59.516 59.018 0.352 0.000 1.622 178 C CB -2.341 25.604 27.740 0.343 0.000 1.855 178 C HN 0.676 nan 8.230 nan 0.000 0.662 179 D N 0.184 120.706 120.400 0.204 0.000 2.449 179 D HA 0.415 5.054 4.640 -0.002 0.000 0.236 179 D C 0.003 176.328 176.300 0.042 0.000 1.149 179 D CA 0.563 54.633 54.000 0.117 0.000 0.878 179 D CB 0.529 41.371 40.800 0.071 0.000 1.198 179 D HN 0.644 nan 8.370 nan 0.000 0.446 180 L N 0.934 122.138 121.223 -0.032 0.000 2.386 180 L HA 0.447 4.786 4.340 -0.002 0.000 0.271 180 L C -1.092 175.729 176.870 -0.082 0.000 0.993 180 L CA -0.660 54.112 54.840 -0.114 0.000 0.819 180 L CB 1.313 43.262 42.059 -0.182 0.000 1.294 180 L HN 0.193 nan 8.230 nan 0.000 0.414 181 K N 5.943 126.298 120.400 -0.075 0.000 2.482 181 K HA 0.518 4.837 4.320 -0.002 0.000 0.251 181 K C -1.286 175.308 176.600 -0.010 0.000 0.936 181 K CA -0.621 55.655 56.287 -0.019 0.000 0.791 181 K CB 2.672 35.179 32.500 0.011 0.000 1.213 181 K HN 0.508 nan 8.250 nan 0.000 0.428 182 I N 3.161 123.756 120.570 0.042 0.000 2.416 182 I HA 0.162 4.331 4.170 -0.002 0.000 0.288 182 I C 0.686 176.973 176.117 0.282 0.000 1.051 182 I CA -0.493 60.839 61.300 0.052 0.000 1.375 182 I CB 0.287 38.298 38.000 0.017 0.000 1.407 182 I HN 0.745 nan 8.210 nan 0.000 0.516 183 C N 2.153 121.569 119.300 0.194 0.000 3.205 183 C HA 0.614 5.073 4.460 -0.002 0.000 0.372 183 C C -0.531 174.652 174.990 0.320 0.000 1.892 183 C CA -0.744 58.475 59.018 0.335 0.000 1.516 183 C CB 1.367 29.202 27.740 0.158 0.000 2.371 183 C HN 0.836 nan 8.230 nan 0.000 0.468 184 D N -0.140 120.433 120.400 0.289 0.000 3.133 184 D HA -0.133 4.506 4.640 -0.002 0.000 0.239 184 D C -0.766 175.530 176.300 -0.006 0.000 1.136 184 D CA 0.749 54.847 54.000 0.163 0.000 0.898 184 D CB -1.288 39.571 40.800 0.098 0.000 0.959 184 D HN 0.563 nan 8.370 nan 0.000 0.415 185 F N -0.292 119.612 119.950 -0.077 0.000 2.798 185 F HA 0.351 4.877 4.527 -0.002 0.000 0.291 185 F C 2.123 177.774 175.800 -0.248 0.000 1.174 185 F CA 0.062 57.926 58.000 -0.227 0.000 1.392 185 F CB 0.383 39.321 39.000 -0.104 0.000 0.966 185 F HN 0.308 nan 8.300 nan 0.000 0.509 186 G N -0.287 108.420 108.800 -0.154 0.000 2.471 186 G HA2 -0.119 3.840 3.960 -0.002 0.000 0.219 186 G HA3 -0.119 3.840 3.960 -0.002 0.000 0.219 186 G C 1.343 175.989 174.900 -0.422 0.000 1.125 186 G CA 0.558 45.468 45.100 -0.317 0.000 0.775 186 G HN 0.213 nan 8.290 nan 0.000 0.548 187 L N 0.435 121.462 121.223 -0.327 0.000 2.808 187 L HA 0.444 4.782 4.340 -0.002 0.000 0.246 187 L C 1.442 178.208 176.870 -0.172 0.000 1.153 187 L CA -0.643 54.053 54.840 -0.240 0.000 0.956 187 L CB -0.686 41.286 42.059 -0.145 0.000 1.270 187 L HN 0.182 nan 8.230 nan 0.000 0.528 188 A N 1.079 123.789 122.820 -0.184 0.000 2.445 188 A HA 0.518 4.836 4.320 -0.002 0.000 0.242 188 A C 0.470 178.063 177.584 0.016 0.000 1.075 188 A CA 0.201 52.208 52.037 -0.049 0.000 0.777 188 A CB 0.410 19.459 19.000 0.082 0.000 1.013 188 A HN 0.409 nan 8.150 nan 0.000 0.493 189 R N 0.666 121.215 120.500 0.080 0.000 2.795 189 R HA 0.480 4.818 4.340 -0.002 0.000 0.268 189 R C -1.121 175.277 176.300 0.164 0.000 1.041 189 R CA -1.089 55.061 56.100 0.083 0.000 0.927 189 R CB 0.813 31.060 30.300 -0.089 0.000 1.235 189 R HN 0.546 nan 8.270 nan 0.000 0.463 190 I N 1.708 122.393 120.570 0.192 0.000 2.581 190 I HA 0.116 4.285 4.170 -0.002 0.000 0.288 190 I C 1.615 177.757 176.117 0.042 0.000 1.047 190 I CA 0.350 61.737 61.300 0.146 0.000 1.374 190 I CB 0.968 39.056 38.000 0.148 0.000 1.423 190 I HN 0.922 nan 8.210 nan 0.000 0.549 191 A N 4.911 127.762 122.820 0.052 0.000 1.953 191 A HA -0.234 4.085 4.320 -0.002 0.000 0.212 191 A C 0.757 178.363 177.584 0.037 0.000 1.250 191 A CA 2.041 54.102 52.037 0.041 0.000 0.726 191 A CB -0.775 18.237 19.000 0.020 0.000 0.837 191 A HN 0.944 nan 8.150 nan 0.000 0.481 192 D N -2.977 117.447 120.400 0.039 0.000 3.026 192 D HA -0.076 4.562 4.640 -0.002 0.000 0.248 192 D C -1.744 174.617 176.300 0.101 0.000 1.100 192 D CA 0.756 54.792 54.000 0.060 0.000 0.855 192 D CB -1.058 39.782 40.800 0.067 0.000 1.011 192 D HN 0.181 nan 8.370 nan 0.000 0.423 193 P HA -0.124 nan 4.420 nan 0.000 0.218 193 P C 1.126 178.427 177.300 0.001 0.000 1.149 193 P CA 1.195 64.323 63.100 0.046 0.000 0.817 193 P CB 0.147 31.856 31.700 0.014 0.000 0.785 194 E N -1.328 118.806 120.200 -0.110 0.000 2.219 194 E HA -0.188 4.161 4.350 -0.002 0.000 0.198 194 E C 0.678 177.058 176.600 -0.367 0.000 0.998 194 E CA 1.230 57.447 56.400 -0.305 0.000 0.818 194 E CB -0.900 28.475 29.700 -0.543 0.000 0.741 194 E HN 0.523 nan 8.360 nan 0.000 0.477 195 H N -0.781 118.379 119.070 0.149 0.000 2.591 195 H HA 0.197 4.751 4.556 -0.002 0.000 0.241 195 H C 0.048 175.481 175.328 0.176 0.000 1.292 195 H CA -0.181 55.971 56.048 0.174 0.000 1.022 195 H CB 0.324 30.216 29.762 0.216 0.000 1.875 195 H HN 0.079 nan 8.280 nan 0.000 0.570 196 D N -0.256 120.256 120.400 0.186 0.000 2.271 196 D HA -0.115 4.524 4.640 -0.002 0.000 0.206 196 D C 0.923 177.214 176.300 -0.016 0.000 0.967 196 D CA 0.290 54.317 54.000 0.045 0.000 0.867 196 D CB 0.334 41.170 40.800 0.060 0.000 0.960 196 D HN 0.350 nan 8.370 nan 0.000 0.509 197 H N 0.300 119.364 119.070 -0.009 0.000 2.964 197 H HA 0.255 4.810 4.556 -0.003 0.000 0.328 197 H C -0.361 174.953 175.328 -0.024 0.000 1.030 197 H CA 0.912 56.953 56.048 -0.013 0.000 1.445 197 H CB 0.501 30.272 29.762 0.015 0.000 1.449 197 H HN 0.077 nan 8.280 nan 0.000 0.581 198 T N 2.455 116.731 114.554 -0.462 0.000 2.841 198 T HA 0.527 4.876 4.350 -0.002 0.000 0.296 198 T C 0.112 174.625 174.700 -0.312 0.000 1.166 198 T CA -0.133 61.829 62.100 -0.231 0.000 1.007 198 T CB 1.173 69.937 68.868 -0.174 0.000 1.253 198 T HN 0.704 nan 8.240 nan 0.000 0.511 199 G N 0.729 109.480 108.800 -0.081 0.000 2.651 199 G HA2 0.431 4.390 3.960 -0.002 0.000 0.260 199 G HA3 0.431 4.390 3.960 -0.002 0.000 0.260 199 G C -0.517 174.403 174.900 0.033 0.000 1.216 199 G CA -0.589 44.514 45.100 0.006 0.000 0.913 199 G HN 0.662 nan 8.290 nan 0.000 0.535 200 F N 0.519 120.433 119.950 -0.060 0.000 2.538 200 F HA 0.279 4.807 4.527 0.002 0.000 0.371 200 F C 1.164 176.932 175.800 -0.053 0.000 1.087 200 F CA -0.610 57.362 58.000 -0.048 0.000 1.250 200 F CB -0.007 38.979 39.000 -0.024 0.000 1.110 200 F HN 0.405 nan 8.300 nan 0.000 0.570 201 L N 3.851 124.720 121.223 -0.591 0.000 3.713 201 L HA -0.239 4.100 4.340 -0.002 0.000 0.499 201 L C 0.062 176.721 176.870 -0.351 0.000 1.281 201 L CA 0.760 55.270 54.840 -0.550 0.000 0.796 201 L CB -2.166 39.321 42.059 -0.953 0.000 1.535 201 L HN 0.908 nan 8.230 nan 0.000 0.851 202 T N -1.842 112.638 114.554 -0.122 0.000 2.779 202 T HA 0.553 4.902 4.350 -0.002 0.000 0.280 202 T C 0.527 175.232 174.700 0.007 0.000 0.987 202 T CA -0.545 61.492 62.100 -0.106 0.000 0.966 202 T CB 1.483 70.304 68.868 -0.078 0.000 0.933 202 T HN 0.407 nan 8.240 nan 0.000 0.442 206 A N 0.184 123.047 122.820 0.071 0.000 2.363 206 A HA 0.211 4.530 4.320 -0.002 0.000 0.291 206 A C 1.698 179.328 177.584 0.076 0.000 1.210 206 A CA 1.438 53.527 52.037 0.086 0.000 0.892 206 A CB -0.942 18.131 19.000 0.122 0.000 1.121 206 A HN 1.027 nan 8.150 nan 0.000 0.522 207 T N -0.515 114.088 114.554 0.080 0.000 2.594 207 T HA -0.237 4.112 4.350 -0.002 0.000 0.266 207 T C 1.746 176.444 174.700 -0.003 0.000 1.070 207 T CA 2.339 64.454 62.100 0.025 0.000 1.166 207 T CB -0.244 68.662 68.868 0.063 0.000 0.862 207 T HN 0.738 nan 8.240 nan 0.000 0.436 208 R N -2.608 117.949 120.500 0.095 0.000 1.602 208 R HA -0.105 4.233 4.340 -0.002 0.000 0.246 208 R C 0.779 177.202 176.300 0.205 0.000 0.480 208 R CA 0.846 56.992 56.100 0.077 0.000 1.872 208 R CB -1.418 28.890 30.300 0.014 0.000 1.442 208 R HN 0.395 nan 8.270 nan 0.000 0.372 209 W N 0.849 122.128 121.300 -0.036 0.000 2.595 209 W HA 0.129 4.788 4.660 -0.002 0.000 0.257 209 W C 0.972 177.232 176.519 -0.432 0.000 1.267 209 W CA 0.875 58.047 57.345 -0.289 0.000 1.300 209 W CB -0.460 28.699 29.460 -0.501 0.000 1.120 209 W HN 0.221 nan 8.180 nan 0.000 0.618 210 Y N -0.290 120.251 120.300 0.401 0.000 2.681 210 Y HA 0.316 4.865 4.550 -0.002 0.000 0.267 210 Y C 0.711 176.845 175.900 0.391 0.000 1.166 210 Y CA -0.727 57.616 58.100 0.405 0.000 1.209 210 Y CB -0.437 38.185 38.460 0.271 0.000 1.161 210 Y HN -0.372 nan 8.280 nan 0.000 0.534 211 R N 1.323 122.000 120.500 0.296 0.000 2.254 211 R HA 0.596 4.935 4.340 -0.002 0.000 0.318 211 R C 0.281 176.429 176.300 -0.254 0.000 1.031 211 R CA -0.506 55.632 56.100 0.063 0.000 0.905 211 R CB 1.022 31.289 30.300 -0.055 0.000 1.050 211 R HN 0.227 nan 8.270 nan 0.000 0.456 212 A N 5.602 128.106 122.820 -0.528 0.000 2.520 212 A HA 0.103 4.422 4.320 -0.002 0.000 0.235 212 A C -1.118 175.915 177.584 -0.918 0.000 1.065 212 A CA -1.072 50.178 52.037 -1.311 0.000 0.764 212 A CB -0.009 18.549 19.000 -0.737 0.000 1.002 212 A HN 0.576 nan 8.150 nan 0.000 0.502 213 P HA -0.277 nan 4.420 nan 0.000 0.216 213 P C 1.091 178.109 177.300 -0.471 0.000 1.153 213 P CA 1.858 64.575 63.100 -0.639 0.000 0.858 213 P CB -0.045 31.285 31.700 -0.618 0.000 0.789 214 E N 0.240 120.117 120.200 -0.537 0.000 2.209 214 E HA -0.166 4.183 4.350 -0.002 0.000 0.196 214 E C 2.029 178.481 176.600 -0.247 0.000 0.993 214 E CA 0.959 57.149 56.400 -0.350 0.000 0.819 214 E CB -1.011 28.494 29.700 -0.325 0.000 0.745 214 E HN 0.207 nan 8.360 nan 0.000 0.477 215 I N 0.743 121.145 120.570 -0.280 0.000 2.248 215 I HA -0.229 3.940 4.170 -0.002 0.000 0.248 215 I C 1.901 177.915 176.117 -0.171 0.000 1.107 215 I CA 1.341 62.514 61.300 -0.211 0.000 1.373 215 I CB -0.646 37.220 38.000 -0.222 0.000 1.055 215 I HN 0.170 nan 8.210 nan 0.000 0.418 216 M N -0.717 118.755 119.600 -0.214 0.000 2.494 216 M HA 0.118 4.597 4.480 -0.002 0.000 0.232 216 M C 1.614 177.903 176.300 -0.018 0.000 1.137 216 M CA 0.742 55.964 55.300 -0.131 0.000 1.012 216 M CB -0.091 32.342 32.600 -0.279 0.000 1.567 216 M HN 0.080 nan 8.290 nan 0.000 0.486 217 L N -0.734 120.489 121.223 -0.000 0.000 2.641 217 L HA 0.255 4.593 4.340 -0.002 0.000 0.207 217 L C 0.937 177.851 176.870 0.074 0.000 1.049 217 L CA 0.625 55.553 54.840 0.146 0.000 0.866 217 L CB 0.273 42.394 42.059 0.103 0.000 1.264 217 L HN 0.511 nan 8.230 nan 0.000 0.483 218 N N -2.350 116.301 118.700 -0.081 0.000 1.975 218 N HA 0.006 4.745 4.740 -0.002 0.000 0.220 218 N C -0.191 175.152 175.510 -0.277 0.000 1.413 218 N CA -0.172 52.740 53.050 -0.230 0.000 0.722 218 N CB 0.674 39.047 38.487 -0.190 0.000 1.151 218 N HN -0.018 nan 8.380 nan 0.000 0.557 219 S N 0.394 115.975 115.700 -0.198 0.000 2.532 219 S HA 0.405 4.874 4.470 -0.002 0.000 0.301 219 S C 0.324 174.793 174.600 -0.218 0.000 1.083 219 S CA -0.579 57.506 58.200 -0.192 0.000 1.025 219 S CB 1.906 65.013 63.200 -0.155 0.000 1.056 219 S HN 0.215 nan 8.310 nan 0.000 0.494 220 K N 1.876 122.089 120.400 -0.311 0.000 2.374 220 K HA 0.226 4.545 4.320 -0.002 0.000 0.196 220 K C 0.968 177.342 176.600 -0.376 0.000 1.023 220 K CA 0.516 56.524 56.287 -0.464 0.000 1.103 220 K CB 0.419 32.365 32.500 -0.923 0.000 0.848 220 K HN 1.029 nan 8.250 nan 0.000 0.528 221 G N 1.678 110.364 108.800 -0.191 0.000 2.149 221 G HA2 -0.233 3.725 3.960 -0.002 0.000 0.235 221 G HA3 -0.233 3.725 3.960 -0.002 0.000 0.235 221 G C -0.064 174.965 174.900 0.215 0.000 1.018 221 G CA -0.243 44.860 45.100 0.005 0.000 0.728 221 G HN 0.252 nan 8.290 nan 0.000 0.508 222 Y N 1.598 121.917 120.300 0.032 0.000 2.596 222 Y HA 0.396 4.945 4.550 -0.001 0.000 0.316 222 Y C 1.516 177.437 175.900 0.035 0.000 1.156 222 Y CA -0.075 58.053 58.100 0.047 0.000 1.300 222 Y CB -0.605 37.894 38.460 0.065 0.000 1.130 222 Y HN 0.542 nan 8.280 nan 0.000 0.518 223 T N -4.753 109.900 114.554 0.165 0.000 2.916 223 T HA 0.338 4.687 4.350 -0.002 0.000 0.305 223 T C 0.807 175.529 174.700 0.035 0.000 1.119 223 T CA -1.045 61.100 62.100 0.076 0.000 1.008 223 T CB 2.215 71.113 68.868 0.050 0.000 1.129 223 T HN 0.007 nan 8.240 nan 0.000 0.480 224 K N 0.866 121.218 120.400 -0.081 0.000 2.189 224 K HA -0.192 4.127 4.320 -0.002 0.000 0.207 224 K C 2.365 178.969 176.600 0.007 0.000 1.046 224 K CA 1.624 57.766 56.287 -0.243 0.000 0.928 224 K CB -0.397 31.730 32.500 -0.622 0.000 0.720 224 K HN 0.624 nan 8.250 nan 0.000 0.458 225 S N 1.030 116.750 115.700 0.033 0.000 2.374 225 S HA -0.170 4.299 4.470 -0.002 0.000 0.227 225 S C 1.882 176.572 174.600 0.149 0.000 1.037 225 S CA 1.045 59.300 58.200 0.091 0.000 1.024 225 S CB -0.163 63.071 63.200 0.057 0.000 0.861 225 S HN 0.162 nan 8.310 nan 0.000 0.456 226 I N 2.118 122.767 120.570 0.132 0.000 2.315 226 I HA -0.148 4.021 4.170 -0.002 0.000 0.251 226 I C 1.882 178.139 176.117 0.233 0.000 1.125 226 I CA 1.474 62.869 61.300 0.159 0.000 1.392 226 I CB -1.409 36.665 38.000 0.124 0.000 1.065 226 I HN 0.341 nan 8.210 nan 0.000 0.424 227 D N 0.397 120.945 120.400 0.246 0.000 2.194 227 D HA -0.071 4.568 4.640 -0.002 0.000 0.204 227 D C 2.160 178.577 176.300 0.195 0.000 0.964 227 D CA 0.751 54.889 54.000 0.229 0.000 0.846 227 D CB 0.006 40.959 40.800 0.256 0.000 0.962 227 D HN 0.225 nan 8.370 nan 0.000 0.490 228 I N 0.590 121.292 120.570 0.221 0.000 2.226 228 I HA -0.203 3.966 4.170 -0.002 0.000 0.245 228 I C 2.311 178.521 176.117 0.155 0.000 1.100 228 I CA 0.692 62.089 61.300 0.162 0.000 1.374 228 I CB -0.609 37.490 38.000 0.166 0.000 1.057 228 I HN 0.208 nan 8.210 nan 0.000 0.413 229 W N 1.503 122.856 121.300 0.090 0.000 2.358 229 W HA -0.196 4.462 4.660 -0.003 0.000 0.303 229 W C 2.325 178.934 176.519 0.150 0.000 1.208 229 W CA 1.804 59.214 57.345 0.108 0.000 1.274 229 W CB -0.377 29.137 29.460 0.089 0.000 1.138 229 W HN 0.132 nan 8.180 nan 0.000 0.515 230 S N 0.692 116.593 115.700 0.334 0.000 2.402 230 S HA -0.146 4.323 4.470 -0.002 0.000 0.229 230 S C 1.821 176.492 174.600 0.118 0.000 1.021 230 S CA 1.393 59.777 58.200 0.306 0.000 0.974 230 S CB -0.545 62.823 63.200 0.281 0.000 0.800 230 S HN 0.104 nan 8.310 nan 0.000 0.484 231 V N 1.768 121.705 119.914 0.039 0.000 2.626 231 V HA -0.071 4.048 4.120 -0.002 0.000 0.252 231 V C 2.535 178.579 176.094 -0.082 0.000 1.067 231 V CA 1.696 63.977 62.300 -0.031 0.000 1.081 231 V CB -1.354 30.447 31.823 -0.038 0.000 0.686 231 V HN 0.576 nan 8.190 nan 0.000 0.468 232 G N -0.850 107.860 108.800 -0.150 0.000 2.404 232 G HA2 -0.230 3.728 3.960 -0.002 0.000 0.215 232 G HA3 -0.230 3.728 3.960 -0.002 0.000 0.215 232 G C 1.720 176.453 174.900 -0.278 0.000 1.174 232 G CA 1.262 46.198 45.100 -0.274 0.000 0.780 232 G HN 0.543 nan 8.290 nan 0.000 0.537 233 C N 0.588 119.755 119.300 -0.222 0.000 2.429 233 C HA 0.030 4.489 4.460 -0.002 0.000 0.277 233 C C 2.811 177.813 174.990 0.019 0.000 1.262 233 C CA 0.362 59.317 59.018 -0.104 0.000 1.733 233 C CB -1.061 26.749 27.740 0.116 0.000 2.010 233 C HN 0.461 nan 8.230 nan 0.000 0.483 234 I N 0.504 121.122 120.570 0.079 0.000 2.286 234 I HA -0.229 3.940 4.170 -0.002 0.000 0.248 234 I C 2.594 178.699 176.117 -0.020 0.000 1.115 234 I CA 1.386 62.720 61.300 0.057 0.000 1.392 234 I CB -0.501 37.491 38.000 -0.013 0.000 1.065 234 I HN 0.378 nan 8.210 nan 0.000 0.418 235 L N 0.749 121.917 121.223 -0.092 0.000 1.994 235 L HA -0.229 4.110 4.340 -0.002 0.000 0.208 235 L C 2.833 179.582 176.870 -0.202 0.000 1.071 235 L CA 1.735 56.494 54.840 -0.134 0.000 0.745 235 L CB -0.367 41.569 42.059 -0.206 0.000 0.892 235 L HN 0.248 nan 8.230 nan 0.000 0.431 236 A N -0.373 122.275 122.820 -0.286 0.000 1.917 236 A HA -0.336 3.982 4.320 -0.002 0.000 0.219 236 A C 2.139 179.671 177.584 -0.086 0.000 1.182 236 A CA 2.230 54.065 52.037 -0.336 0.000 0.633 236 A CB -0.722 18.109 19.000 -0.281 0.000 0.819 236 A HN 0.623 nan 8.150 nan 0.000 0.448 237 E N -0.823 119.361 120.200 -0.026 0.000 2.077 237 E HA -0.152 4.197 4.350 -0.002 0.000 0.193 237 E C 2.073 178.698 176.600 0.041 0.000 0.989 237 E CA 1.280 57.705 56.400 0.042 0.000 0.800 237 E CB -0.187 29.578 29.700 0.108 0.000 0.746 237 E HN 0.658 nan 8.360 nan 0.000 0.452 238 M N 0.071 119.687 119.600 0.025 0.000 2.213 238 M HA -0.137 4.341 4.480 -0.002 0.000 0.263 238 M C 2.009 178.339 176.300 0.051 0.000 1.062 238 M CA 1.026 56.359 55.300 0.055 0.000 1.105 238 M CB -0.040 32.609 32.600 0.082 0.000 1.385 238 M HN 0.217 nan 8.290 nan 0.000 0.417 239 L N -0.604 120.621 121.223 0.003 0.000 2.478 239 L HA -0.073 4.266 4.340 -0.002 0.000 0.223 239 L C 1.550 178.490 176.870 0.117 0.000 1.140 239 L CA 0.784 55.633 54.840 0.014 0.000 0.842 239 L CB -0.164 41.802 42.059 -0.154 0.000 0.953 239 L HN 0.362 nan 8.230 nan 0.000 0.452 240 S N -3.922 111.852 115.700 0.123 0.000 2.904 240 S HA 0.126 4.595 4.470 -0.002 0.000 0.260 240 S C 0.366 175.002 174.600 0.060 0.000 1.000 240 S CA -0.437 57.834 58.200 0.118 0.000 1.274 240 S CB -0.025 63.280 63.200 0.176 0.000 1.196 240 S HN 0.313 nan 8.310 nan 0.000 0.678 241 N N 1.875 120.604 118.700 0.048 0.000 2.721 241 N HA -0.213 4.525 4.740 -0.002 0.000 0.249 241 N C -0.358 175.155 175.510 0.005 0.000 1.072 241 N CA 1.606 54.666 53.050 0.018 0.000 0.710 241 N CB -1.236 37.256 38.487 0.008 0.000 0.993 241 N HN 0.971 nan 8.380 nan 0.000 0.547 242 R N -2.624 117.885 120.500 0.015 0.000 2.664 242 R HA 0.591 4.930 4.340 -0.002 0.000 0.266 242 R C -3.422 172.861 176.300 -0.028 0.000 1.046 242 R CA -1.644 54.448 56.100 -0.012 0.000 0.885 242 R CB 1.595 31.871 30.300 -0.039 0.000 1.254 242 R HN -0.186 nan 8.270 nan 0.000 0.465 243 P HA 0.195 nan 4.420 nan 0.000 0.279 243 P C -0.650 176.477 177.300 -0.290 0.000 1.239 243 P CA -0.390 62.607 63.100 -0.172 0.000 0.789 243 P CB 1.254 32.771 31.700 -0.305 0.000 0.933 244 I N 4.370 124.732 120.570 -0.346 0.000 2.385 244 I HA 0.264 4.432 4.170 -0.002 0.000 0.294 244 I C -0.002 175.763 176.117 -0.587 0.000 0.988 244 I CA -0.715 60.262 61.300 -0.537 0.000 1.265 244 I CB -0.207 37.341 38.000 -0.753 0.000 1.388 244 I HN 0.488 nan 8.210 nan 0.000 0.480 245 F N 4.357 124.236 119.950 -0.118 0.000 2.986 245 F HA -0.108 4.419 4.527 -0.001 0.000 0.309 245 F C -2.103 173.319 175.800 -0.630 0.000 0.884 245 F CA -0.804 57.086 58.000 -0.183 0.000 1.263 245 F CB -1.393 37.607 39.000 0.000 0.000 1.315 245 F HN 0.453 nan 8.300 nan 0.000 0.595 246 P HA 0.111 nan 4.420 nan 0.000 0.226 246 P C 0.774 177.415 177.300 -1.097 0.000 1.783 246 P CA 0.596 62.895 63.100 -1.336 0.000 0.980 246 P CB 0.111 31.215 31.700 -0.993 0.000 1.967 247 G N 1.542 109.947 108.800 -0.659 0.000 2.313 247 G HA2 -0.069 3.890 3.960 -0.002 0.000 0.250 247 G HA3 -0.069 3.890 3.960 -0.002 0.000 0.250 247 G C 0.818 175.750 174.900 0.053 0.000 1.281 247 G CA -0.374 44.590 45.100 -0.226 0.000 0.917 247 G HN 0.249 nan 8.290 nan 0.000 0.501 248 K N 0.956 121.388 120.400 0.053 0.000 2.365 248 K HA 0.001 4.320 4.320 -0.002 0.000 0.199 248 K C 0.911 177.669 176.600 0.263 0.000 1.045 248 K CA 1.080 57.480 56.287 0.189 0.000 0.962 248 K CB -0.056 32.584 32.500 0.233 0.000 0.759 248 K HN 0.890 nan 8.250 nan 0.000 0.469 249 H N -4.674 114.498 119.070 0.171 0.000 2.902 249 H HA -0.026 4.528 4.556 -0.002 0.000 0.297 249 H C 0.102 175.528 175.328 0.162 0.000 1.406 249 H CA -0.824 55.316 56.048 0.155 0.000 1.134 249 H CB 0.080 29.921 29.762 0.131 0.000 1.833 249 H HN -0.165 nan 8.280 nan 0.000 0.527 250 Y N 1.115 121.533 120.300 0.197 0.000 1.979 250 Y HA -0.285 4.264 4.550 -0.003 0.000 0.262 250 Y C 2.679 178.598 175.900 0.032 0.000 1.142 250 Y CA 2.611 60.758 58.100 0.079 0.000 1.096 250 Y CB -0.632 37.854 38.460 0.044 0.000 0.958 250 Y HN 0.590 nan 8.280 nan 0.000 0.484 251 L N 0.114 121.649 121.223 0.520 0.000 1.990 251 L HA -0.290 4.049 4.340 -0.002 0.000 0.213 251 L C 2.484 179.362 176.870 0.014 0.000 1.072 251 L CA 2.063 57.052 54.840 0.247 0.000 0.755 251 L CB -0.847 41.363 42.059 0.251 0.000 0.889 251 L HN 0.481 nan 8.230 nan 0.000 0.432 252 D N -0.551 119.648 120.400 -0.335 0.000 2.200 252 D HA -0.340 4.298 4.640 -0.002 0.000 0.192 252 D C 1.973 178.244 176.300 -0.047 0.000 1.008 252 D CA 2.085 55.887 54.000 -0.329 0.000 0.872 252 D CB 0.008 40.344 40.800 -0.773 0.000 0.923 252 D HN 0.362 nan 8.370 nan 0.000 0.447 253 Q N 0.208 119.954 119.800 -0.091 0.000 2.045 253 Q HA -0.170 4.169 4.340 -0.002 0.000 0.206 253 Q C 2.290 178.271 176.000 -0.032 0.000 0.991 253 Q CA 1.444 57.224 55.803 -0.039 0.000 0.851 253 Q CB -0.952 27.724 28.738 -0.104 0.000 0.911 253 Q HN 0.398 nan 8.270 nan 0.000 0.418 254 L N 0.762 121.943 121.223 -0.071 0.000 2.042 254 L HA -0.161 4.178 4.340 -0.002 0.000 0.210 254 L C 1.522 178.422 176.870 0.050 0.000 1.076 254 L CA 2.031 56.855 54.840 -0.027 0.000 0.749 254 L CB -0.976 41.094 42.059 0.018 0.000 0.893 254 L HN 0.292 nan 8.230 nan 0.000 0.432 255 N N -1.355 117.392 118.700 0.079 0.000 2.309 255 N HA -0.170 4.569 4.740 -0.002 0.000 0.182 255 N C 1.831 177.362 175.510 0.035 0.000 1.018 255 N CA 1.068 54.160 53.050 0.069 0.000 0.876 255 N CB -0.401 38.126 38.487 0.065 0.000 0.972 255 N HN 0.575 nan 8.380 nan 0.000 0.434 256 H N 1.056 120.126 119.070 0.000 0.000 2.326 256 H HA 0.069 4.624 4.556 -0.002 0.000 0.301 256 H C 2.196 177.560 175.328 0.060 0.000 1.081 256 H CA 0.911 56.991 56.048 0.053 0.000 1.334 256 H CB 0.100 29.910 29.762 0.081 0.000 1.385 256 H HN 0.155 nan 8.280 nan 0.000 0.504 257 I N 0.752 121.320 120.570 -0.004 0.000 2.264 257 I HA -0.298 3.871 4.170 -0.002 0.000 0.248 257 I C 2.447 178.558 176.117 -0.011 0.000 1.111 257 I CA 1.008 62.120 61.300 -0.313 0.000 1.382 257 I CB -0.246 37.519 38.000 -0.392 0.000 1.060 257 I HN 0.153 nan 8.210 nan 0.000 0.418 258 L N 0.233 121.474 121.223 0.031 0.000 2.072 258 L HA -0.064 4.275 4.340 -0.002 0.000 0.205 258 L C 2.717 179.600 176.870 0.022 0.000 1.079 258 L CA 1.337 56.196 54.840 0.033 0.000 0.752 258 L CB -1.072 40.999 42.059 0.020 0.000 0.906 258 L HN 0.294 nan 8.230 nan 0.000 0.436 259 G N 0.281 109.094 108.800 0.021 0.000 2.475 259 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.220 259 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.220 259 G C 1.390 176.306 174.900 0.026 0.000 1.125 259 G CA 0.918 46.017 45.100 -0.001 0.000 0.755 259 G HN 0.235 nan 8.290 nan 0.000 0.565 260 I N -0.606 120.032 120.570 0.113 0.000 2.628 260 I HA 0.201 4.369 4.170 -0.002 0.000 0.255 260 I C 2.155 178.312 176.117 0.067 0.000 1.119 260 I CA 0.321 61.700 61.300 0.132 0.000 1.448 260 I CB -0.270 37.960 38.000 0.383 0.000 1.133 260 I HN -0.014 nan 8.210 nan 0.000 0.438 261 L N 0.189 121.498 121.223 0.143 0.000 2.492 261 L HA 0.329 4.668 4.340 -0.002 0.000 0.223 261 L C 1.125 178.003 176.870 0.014 0.000 1.132 261 L CA 0.685 55.597 54.840 0.121 0.000 0.850 261 L CB -1.008 41.205 42.059 0.256 0.000 0.966 261 L HN 0.410 nan 8.230 nan 0.000 0.454 262 G N -1.416 107.373 108.800 -0.018 0.000 2.828 262 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.463 262 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.463 262 G C -0.213 174.626 174.900 -0.102 0.000 1.394 262 G CA -0.429 44.634 45.100 -0.062 0.000 0.862 262 G HN 0.083 nan 8.290 nan 0.000 0.540 263 S N 2.623 118.251 115.700 -0.120 0.000 2.549 263 S HA 0.514 4.983 4.470 -0.002 0.000 0.279 263 S C -1.365 173.094 174.600 -0.234 0.000 1.321 263 S CA -0.092 58.007 58.200 -0.168 0.000 1.054 263 S CB 1.168 64.288 63.200 -0.133 0.000 0.899 263 S HN 0.764 nan 8.310 nan 0.000 0.497 264 P HA 0.136 nan 4.420 nan 0.000 0.271 264 P C -0.075 177.083 177.300 -0.236 0.000 1.216 264 P CA -0.414 62.398 63.100 -0.479 0.000 0.776 264 P CB 0.576 31.702 31.700 -0.957 0.000 0.881 265 S N 2.167 117.779 115.700 -0.146 0.000 2.606 265 S HA 0.003 4.472 4.470 -0.002 0.000 0.257 265 S C 1.337 175.905 174.600 -0.053 0.000 1.327 265 S CA -0.380 57.777 58.200 -0.073 0.000 0.984 265 S CB 0.381 63.563 63.200 -0.030 0.000 0.941 265 S HN 0.424 nan 8.310 nan 0.000 0.576 266 Q N 0.618 120.400 119.800 -0.030 0.000 2.167 266 Q HA -0.098 4.240 4.340 -0.002 0.000 0.202 266 Q C 2.055 178.060 176.000 0.008 0.000 0.970 266 Q CA 1.534 57.328 55.803 -0.015 0.000 0.855 266 Q CB -0.506 28.226 28.738 -0.012 0.000 0.911 266 Q HN 0.852 nan 8.270 nan 0.000 0.438 267 E N 0.349 120.558 120.200 0.016 0.000 2.085 267 E HA -0.183 4.166 4.350 -0.002 0.000 0.194 267 E C 1.248 177.885 176.600 0.061 0.000 0.994 267 E CA 1.200 57.623 56.400 0.037 0.000 0.801 267 E CB 0.059 29.785 29.700 0.043 0.000 0.743 267 E HN 0.350 nan 8.360 nan 0.000 0.453 268 D N 0.106 120.550 120.400 0.074 0.000 2.323 268 D HA -0.019 4.620 4.640 -0.002 0.000 0.209 268 D C 1.901 178.288 176.300 0.146 0.000 0.973 268 D CA 0.424 54.513 54.000 0.148 0.000 0.874 268 D CB 0.193 41.129 40.800 0.226 0.000 0.930 268 D HN 0.183 nan 8.370 nan 0.000 0.521 269 L N 0.296 121.558 121.223 0.066 0.000 2.209 269 L HA -0.004 4.335 4.340 -0.002 0.000 0.207 269 L C 1.629 178.533 176.870 0.056 0.000 1.094 269 L CA 0.654 55.527 54.840 0.055 0.000 0.790 269 L CB -0.306 41.756 42.059 0.005 0.000 0.932 269 L HN -0.044 nan 8.230 nan 0.000 0.447 270 N N -0.717 118.011 118.700 0.047 0.000 2.520 270 N HA -0.177 4.562 4.740 -0.002 0.000 0.185 270 N C 1.846 177.388 175.510 0.053 0.000 1.068 270 N CA 0.769 53.843 53.050 0.040 0.000 0.911 270 N CB -0.098 38.408 38.487 0.033 0.000 0.961 270 N HN 0.377 nan 8.380 nan 0.000 0.446 271 C N 0.582 119.927 119.300 0.074 0.000 2.514 271 C HA 0.238 4.697 4.460 -0.002 0.000 0.271 271 C C 0.592 175.630 174.990 0.081 0.000 1.399 271 C CA -0.287 58.780 59.018 0.080 0.000 1.765 271 C CB -0.777 27.026 27.740 0.105 0.000 1.893 271 C HN 0.161 nan 8.230 nan 0.000 0.531 272 I N 2.420 123.042 120.570 0.086 0.000 2.382 272 I HA 0.259 4.427 4.170 -0.002 0.000 0.285 272 I C 0.886 177.041 176.117 0.064 0.000 1.007 272 I CA -0.170 61.180 61.300 0.083 0.000 1.142 272 I CB 1.254 39.313 38.000 0.098 0.000 1.289 272 I HN 0.290 nan 8.210 nan 0.000 0.453 273 I N 1.065 121.678 120.570 0.072 0.000 3.603 273 I HA 0.204 4.373 4.170 -0.002 0.000 0.297 273 I C 0.500 176.649 176.117 0.054 0.000 1.269 273 I CA 0.113 61.443 61.300 0.051 0.000 1.361 273 I CB -0.127 37.897 38.000 0.041 0.000 1.063 273 I HN 0.412 nan 8.210 nan 0.000 0.448 274 N N 3.000 121.752 118.700 0.087 0.000 2.417 274 N HA -0.029 4.710 4.740 -0.002 0.000 0.272 274 N C 0.912 176.413 175.510 -0.015 0.000 1.304 274 N CA 0.284 53.381 53.050 0.078 0.000 0.906 274 N CB 0.843 39.384 38.487 0.090 0.000 1.135 274 N HN 0.458 nan 8.380 nan 0.000 0.483 275 M N 3.596 123.185 119.600 -0.018 0.000 2.110 275 M HA -0.343 4.136 4.480 -0.002 0.000 0.257 275 M C 1.300 177.516 176.300 -0.140 0.000 1.071 275 M CA 1.956 57.223 55.300 -0.055 0.000 1.096 275 M CB 0.066 32.650 32.600 -0.027 0.000 1.300 275 M HN 0.369 nan 8.290 nan 0.000 0.411 276 K N 0.341 120.618 120.400 -0.206 0.000 1.978 276 K HA -0.131 4.188 4.320 -0.002 0.000 0.214 276 K C 2.000 178.086 176.600 -0.858 0.000 1.049 276 K CA 1.972 58.001 56.287 -0.431 0.000 0.939 276 K CB -0.795 31.488 32.500 -0.361 0.000 0.721 276 K HN 0.521 nan 8.250 nan 0.000 0.441 277 A N 1.408 123.470 122.820 -1.265 0.000 1.882 277 A HA -0.354 3.965 4.320 -0.002 0.000 0.220 277 A C 2.178 179.583 177.584 -0.298 0.000 1.253 277 A CA 2.440 53.895 52.037 -0.969 0.000 0.664 277 A CB -0.919 17.971 19.000 -0.184 0.000 0.838 277 A HN 0.343 nan 8.150 nan 0.000 0.460 278 R N -0.380 120.022 120.500 -0.162 0.000 2.115 278 R HA -0.235 4.104 4.340 -0.002 0.000 0.239 278 R C 2.146 178.400 176.300 -0.077 0.000 1.133 278 R CA 2.259 58.320 56.100 -0.064 0.000 0.935 278 R CB -0.617 29.658 30.300 -0.042 0.000 0.853 278 R HN 0.784 nan 8.270 nan 0.000 0.433 279 N N -1.174 117.462 118.700 -0.105 0.000 2.137 279 N HA -0.265 4.474 4.740 -0.002 0.000 0.190 279 N C 1.681 177.159 175.510 -0.053 0.000 1.017 279 N CA 1.564 54.570 53.050 -0.074 0.000 0.859 279 N CB -0.250 38.195 38.487 -0.069 0.000 1.002 279 N HN 0.293 nan 8.380 nan 0.000 0.428 280 Y N 1.703 121.898 120.300 -0.175 0.000 2.133 280 Y HA -0.088 4.461 4.550 -0.001 0.000 0.287 280 Y C 2.013 177.906 175.900 -0.012 0.000 1.134 280 Y CA 1.211 59.273 58.100 -0.063 0.000 1.133 280 Y CB -0.489 37.965 38.460 -0.009 0.000 0.987 280 Y HN -0.023 nan 8.280 nan 0.000 0.502 281 L N 0.163 121.354 121.223 -0.054 0.000 2.043 281 L HA -0.318 4.021 4.340 -0.002 0.000 0.212 281 L C 2.420 179.180 176.870 -0.183 0.000 1.075 281 L CA 1.932 56.706 54.840 -0.110 0.000 0.752 281 L CB -0.611 41.464 42.059 0.026 0.000 0.891 281 L HN 0.333 nan 8.230 nan 0.000 0.432 282 Q N -0.850 118.869 119.800 -0.134 0.000 2.472 282 Q HA -0.089 4.250 4.340 -0.002 0.000 0.208 282 Q C 2.078 178.000 176.000 -0.130 0.000 0.958 282 Q CA 1.057 56.789 55.803 -0.117 0.000 0.932 282 Q CB 0.171 28.863 28.738 -0.078 0.000 1.007 282 Q HN 0.585 nan 8.270 nan 0.000 0.508 283 S N -0.983 114.609 115.700 -0.180 0.000 2.524 283 S HA 0.126 4.595 4.470 -0.002 0.000 0.216 283 S C 0.705 175.199 174.600 -0.176 0.000 0.987 283 S CA -0.311 57.798 58.200 -0.151 0.000 0.909 283 S CB 0.074 63.194 63.200 -0.133 0.000 0.781 283 S HN 0.152 nan 8.310 nan 0.000 0.521 284 L N 3.571 124.648 121.223 -0.244 0.000 2.416 284 L HA 0.340 4.679 4.340 -0.002 0.000 0.272 284 L C -1.913 174.879 176.870 -0.131 0.000 1.161 284 L CA -1.854 52.861 54.840 -0.209 0.000 0.845 284 L CB -0.022 41.883 42.059 -0.257 0.000 1.119 284 L HN 0.151 nan 8.230 nan 0.000 0.464 285 P HA -0.017 nan 4.420 nan 0.000 0.267 285 P C -0.273 176.980 177.300 -0.078 0.000 1.205 285 P CA -0.160 62.895 63.100 -0.075 0.000 0.765 285 P CB 1.049 32.715 31.700 -0.058 0.000 0.828 286 S N 2.901 118.558 115.700 -0.073 0.000 2.546 286 S HA 0.070 4.539 4.470 -0.002 0.000 0.290 286 S C -0.024 174.535 174.600 -0.067 0.000 1.290 286 S CA 0.023 58.179 58.200 -0.074 0.000 1.069 286 S CB -0.353 62.808 63.200 -0.065 0.000 0.846 286 S HN 0.313 nan 8.310 nan 0.000 0.495 287 K N 2.842 123.198 120.400 -0.073 0.000 2.375 287 K HA 0.451 4.769 4.320 -0.002 0.000 0.249 287 K C -0.571 175.987 176.600 -0.069 0.000 0.942 287 K CA -0.876 55.371 56.287 -0.067 0.000 0.806 287 K CB 1.819 34.280 32.500 -0.064 0.000 1.227 287 K HN 0.418 nan 8.250 nan 0.000 0.430 288 T N 1.356 115.871 114.554 -0.066 0.000 2.922 288 T HA 0.163 4.512 4.350 -0.002 0.000 0.285 288 T C -0.246 174.403 174.700 -0.085 0.000 1.005 288 T CA -0.582 61.476 62.100 -0.070 0.000 1.061 288 T CB 0.916 69.745 68.868 -0.065 0.000 1.007 288 T HN 0.386 nan 8.240 nan 0.000 0.502 289 K N 1.969 122.311 120.400 -0.097 0.000 2.298 289 K HA 0.366 4.685 4.320 -0.002 0.000 0.280 289 K C -0.102 176.383 176.600 -0.192 0.000 1.032 289 K CA -0.678 55.525 56.287 -0.140 0.000 0.958 289 K CB 0.416 32.832 32.500 -0.141 0.000 0.978 289 K HN 0.466 nan 8.250 nan 0.000 0.472 290 V N 1.492 121.254 119.914 -0.255 0.000 2.546 290 V HA 0.484 4.603 4.120 -0.002 0.000 0.284 290 V C 0.168 176.010 176.094 -0.420 0.000 1.050 290 V CA -0.919 61.221 62.300 -0.267 0.000 0.981 290 V CB 0.884 32.579 31.823 -0.214 0.000 0.990 290 V HN 0.846 nan 8.190 nan 0.000 0.474 291 A N 4.298 126.953 122.820 -0.275 0.000 2.492 291 A HA 0.300 4.619 4.320 -0.002 0.000 0.254 291 A C 0.589 178.079 177.584 -0.156 0.000 1.091 291 A CA -0.156 51.737 52.037 -0.239 0.000 0.768 291 A CB -0.378 18.567 19.000 -0.091 0.000 1.028 291 A HN 1.053 nan 8.150 nan 0.000 0.498 292 W N 2.661 124.017 121.300 0.093 0.000 2.318 292 W HA -0.233 4.425 4.660 -0.002 0.000 0.313 292 W C 2.427 179.049 176.519 0.172 0.000 1.221 292 W CA 1.473 58.929 57.345 0.187 0.000 1.266 292 W CB -0.263 29.297 29.460 0.165 0.000 1.150 292 W HN 0.797 nan 8.180 nan 0.000 0.496 293 A N 0.691 123.703 122.820 0.319 0.000 1.948 293 A HA -0.245 4.073 4.320 -0.002 0.000 0.220 293 A C 1.982 179.635 177.584 0.115 0.000 1.177 293 A CA 1.985 54.140 52.037 0.196 0.000 0.636 293 A CB -0.565 18.509 19.000 0.124 0.000 0.815 293 A HN 0.150 nan 8.150 nan 0.000 0.449 294 K N -0.864 119.570 120.400 0.057 0.000 2.103 294 K HA 0.021 4.340 4.320 -0.002 0.000 0.204 294 K C 1.640 178.201 176.600 -0.067 0.000 1.052 294 K CA 0.792 57.072 56.287 -0.010 0.000 0.945 294 K CB -0.543 31.933 32.500 -0.039 0.000 0.722 294 K HN 0.415 nan 8.250 nan 0.000 0.443 295 L N -0.529 120.637 121.223 -0.096 0.000 2.179 295 L HA 0.037 4.375 4.340 -0.002 0.000 0.208 295 L C 0.497 176.983 176.870 -0.639 0.000 1.096 295 L CA 1.172 55.792 54.840 -0.366 0.000 0.779 295 L CB -0.145 41.670 42.059 -0.407 0.000 0.922 295 L HN -0.048 nan 8.230 nan 0.000 0.443 296 F N -0.224 119.780 119.950 0.089 0.000 2.550 296 F HA 0.393 4.918 4.527 -0.003 0.000 0.348 296 F C -2.237 173.583 175.800 0.034 0.000 1.219 296 F CA -2.594 55.436 58.000 0.050 0.000 1.203 296 F CB 0.168 39.193 39.000 0.041 0.000 1.436 296 F HN -0.194 nan 8.300 nan 0.000 0.541 297 P HA 0.084 nan 4.420 nan 0.000 0.271 297 P C 0.680 178.027 177.300 0.078 0.000 1.220 297 P CA 0.098 63.243 63.100 0.074 0.000 0.768 297 P CB 0.922 32.640 31.700 0.030 0.000 0.848 298 K N 0.400 120.838 120.400 0.063 0.000 3.587 298 K HA -0.137 4.182 4.320 -0.002 0.000 0.294 298 K C -0.320 176.309 176.600 0.049 0.000 1.279 298 K CA 0.994 57.310 56.287 0.050 0.000 1.004 298 K CB -1.777 30.749 32.500 0.043 0.000 1.276 298 K HN 0.488 nan 8.250 nan 0.000 0.459 299 S N 1.580 117.319 115.700 0.065 0.000 2.576 299 S HA 0.075 4.544 4.470 -0.002 0.000 0.276 299 S C 0.011 174.602 174.600 -0.014 0.000 1.339 299 S CA 0.092 58.306 58.200 0.024 0.000 1.039 299 S CB 1.090 64.302 63.200 0.020 0.000 0.902 299 S HN 0.330 nan 8.310 nan 0.000 0.516 300 D N 1.340 121.709 120.400 -0.052 0.000 2.487 300 D HA 0.031 4.670 4.640 -0.002 0.000 0.243 300 D C 1.371 177.602 176.300 -0.116 0.000 1.154 300 D CA 0.515 54.481 54.000 -0.057 0.000 0.876 300 D CB 0.669 41.450 40.800 -0.032 0.000 1.161 300 D HN 0.414 nan 8.370 nan 0.000 0.478 301 S N 3.930 119.603 115.700 -0.044 0.000 2.383 301 S HA -0.206 4.263 4.470 -0.002 0.000 0.229 301 S C 1.695 176.253 174.600 -0.070 0.000 1.030 301 S CA 0.611 58.792 58.200 -0.032 0.000 1.002 301 S CB -0.157 63.053 63.200 0.016 0.000 0.829 301 S HN 0.400 nan 8.310 nan 0.000 0.467 302 K N 1.931 122.300 120.400 -0.052 0.000 2.148 302 K HA 0.246 4.565 4.320 -0.002 0.000 0.204 302 K C 2.405 178.841 176.600 -0.273 0.000 1.050 302 K CA 1.223 57.520 56.287 0.017 0.000 0.942 302 K CB -1.191 31.423 32.500 0.191 0.000 0.724 302 K HN 0.539 nan 8.250 nan 0.000 0.446 303 A N 0.676 123.047 122.820 -0.748 0.000 1.969 303 A HA -0.101 4.218 4.320 -0.002 0.000 0.218 303 A C 2.041 179.195 177.584 -0.716 0.000 1.169 303 A CA 0.999 52.250 52.037 -1.309 0.000 0.635 303 A CB -0.286 17.841 19.000 -1.456 0.000 0.810 303 A HN 0.115 nan 8.150 nan 0.000 0.445 304 L N -0.024 120.905 121.223 -0.491 0.000 2.217 304 L HA -0.067 4.272 4.340 -0.002 0.000 0.211 304 L C 1.941 178.556 176.870 -0.425 0.000 1.107 304 L CA 2.129 56.692 54.840 -0.462 0.000 0.783 304 L CB -0.780 41.155 42.059 -0.207 0.000 0.919 304 L HN 0.571 nan 8.230 nan 0.000 0.442 305 D N -0.936 119.326 120.400 -0.229 0.000 2.123 305 D HA -0.198 4.441 4.640 -0.002 0.000 0.200 305 D C 2.363 178.555 176.300 -0.180 0.000 0.976 305 D CA 0.900 54.854 54.000 -0.076 0.000 0.831 305 D CB 0.033 40.910 40.800 0.128 0.000 0.974 305 D HN 0.252 nan 8.370 nan 0.000 0.469 306 L N 0.212 121.171 121.223 -0.440 0.000 2.046 306 L HA -0.123 4.216 4.340 -0.002 0.000 0.208 306 L C 2.340 178.962 176.870 -0.414 0.000 1.077 306 L CA 0.761 55.231 54.840 -0.616 0.000 0.747 306 L CB -0.337 41.233 42.059 -0.815 0.000 0.896 306 L HN 0.291 nan 8.230 nan 0.000 0.432 307 L N 0.338 121.244 121.223 -0.528 0.000 2.012 307 L HA -0.309 4.029 4.340 -0.002 0.000 0.210 307 L C 2.114 178.620 176.870 -0.607 0.000 1.073 307 L CA 2.657 57.113 54.840 -0.640 0.000 0.748 307 L CB -1.076 40.428 42.059 -0.927 0.000 0.891 307 L HN 0.436 nan 8.230 nan 0.000 0.431 308 D N -0.365 119.686 120.400 -0.582 0.000 2.116 308 D HA -0.247 4.392 4.640 -0.002 0.000 0.193 308 D C 2.140 178.455 176.300 0.026 0.000 0.998 308 D CA 1.667 55.567 54.000 -0.167 0.000 0.836 308 D CB 0.036 40.898 40.800 0.104 0.000 0.951 308 D HN 0.336 nan 8.370 nan 0.000 0.449 309 R N -0.739 119.753 120.500 -0.013 0.000 2.236 309 R HA 0.083 4.422 4.340 -0.002 0.000 0.208 309 R C 2.221 178.541 176.300 0.033 0.000 1.036 309 R CA 0.480 56.611 56.100 0.050 0.000 1.001 309 R CB -0.192 30.145 30.300 0.061 0.000 0.896 309 R HN 0.360 nan 8.270 nan 0.000 0.464 310 M N 0.444 120.007 119.600 -0.061 0.000 2.248 310 M HA 0.035 4.514 4.480 -0.002 0.000 0.265 310 M C 0.828 177.092 176.300 -0.060 0.000 1.079 310 M CA 1.252 56.511 55.300 -0.069 0.000 1.150 310 M CB 0.503 32.998 32.600 -0.175 0.000 1.366 310 M HN 0.011 nan 8.290 nan 0.000 0.433 311 L N 1.271 122.413 121.223 -0.135 0.000 2.934 311 L HA 0.176 4.514 4.340 -0.002 0.000 0.233 311 L C -0.477 176.573 176.870 0.301 0.000 1.358 311 L CA -0.419 54.317 54.840 -0.173 0.000 1.233 311 L CB -0.920 41.006 42.059 -0.221 0.000 1.594 311 L HN 0.070 nan 8.230 nan 0.000 0.439 312 T N -0.617 114.167 114.554 0.383 0.000 2.806 312 T HA 0.069 4.417 4.350 -0.002 0.000 0.290 312 T C 0.782 175.783 174.700 0.501 0.000 0.966 312 T CA -0.371 61.974 62.100 0.409 0.000 1.060 312 T CB 1.499 70.529 68.868 0.271 0.000 0.927 312 T HN 0.204 nan 8.240 nan 0.000 0.485 313 F N 3.519 123.653 119.950 0.306 0.000 2.126 313 F HA -0.047 4.479 4.527 -0.001 0.000 0.299 313 F C 1.205 177.059 175.800 0.089 0.000 1.096 313 F CA 0.957 59.056 58.000 0.164 0.000 1.255 313 F CB -0.020 39.045 39.000 0.108 0.000 0.997 313 F HN 0.571 nan 8.300 nan 0.000 0.479 314 N N 1.758 120.601 118.700 0.238 0.000 2.402 314 N HA 0.094 4.833 4.740 -0.002 0.000 0.252 314 N C -1.812 173.735 175.510 0.061 0.000 1.118 314 N CA -1.439 51.678 53.050 0.113 0.000 0.945 314 N CB 0.893 39.500 38.487 0.199 0.000 1.147 314 N HN -0.013 nan 8.380 nan 0.000 0.495 315 P HA -0.131 nan 4.420 nan 0.000 0.221 315 P C 0.119 177.444 177.300 0.042 0.000 1.145 315 P CA 1.142 64.246 63.100 0.008 0.000 0.795 315 P CB 0.335 32.001 31.700 -0.057 0.000 0.775 316 N N -0.123 118.603 118.700 0.043 0.000 2.424 316 N HA 0.003 4.742 4.740 -0.002 0.000 0.178 316 N C 1.417 176.966 175.510 0.065 0.000 1.060 316 N CA 0.700 53.780 53.050 0.049 0.000 0.901 316 N CB -0.010 38.504 38.487 0.045 0.000 0.979 316 N HN 0.308 nan 8.380 nan 0.000 0.451 317 K N 0.198 120.649 120.400 0.084 0.000 2.353 317 K HA 0.136 4.455 4.320 -0.002 0.000 0.195 317 K C 0.645 177.309 176.600 0.107 0.000 1.031 317 K CA -0.278 56.066 56.287 0.095 0.000 1.079 317 K CB 0.885 33.452 32.500 0.111 0.000 0.857 317 K HN 0.009 nan 8.250 nan 0.000 0.535 318 R N 1.952 122.521 120.500 0.115 0.000 2.623 318 R HA 0.094 4.433 4.340 -0.002 0.000 0.271 318 R C -0.066 176.298 176.300 0.106 0.000 1.043 318 R CA -0.032 56.147 56.100 0.131 0.000 1.083 318 R CB 0.321 30.713 30.300 0.154 0.000 0.974 318 R HN 0.079 nan 8.270 nan 0.000 0.436 319 I N 3.100 123.730 120.570 0.100 0.000 2.754 319 I HA -0.009 4.160 4.170 -0.002 0.000 0.285 319 I C 0.435 176.607 176.117 0.092 0.000 1.166 319 I CA 0.266 61.618 61.300 0.086 0.000 1.417 319 I CB 0.934 38.978 38.000 0.074 0.000 1.382 319 I HN 0.824 nan 8.210 nan 0.000 0.588 320 T N 3.424 118.031 114.554 0.088 0.000 2.881 320 T HA 0.138 4.487 4.350 -0.002 0.000 0.278 320 T C 1.001 175.771 174.700 0.116 0.000 0.982 320 T CA -0.429 61.732 62.100 0.102 0.000 0.989 320 T CB 1.734 70.653 68.868 0.084 0.000 1.058 320 T HN 0.521 nan 8.240 nan 0.000 0.529 321 V N 0.765 120.774 119.914 0.158 0.000 2.343 321 V HA -0.126 3.993 4.120 -0.002 0.000 0.247 321 V C 2.531 178.698 176.094 0.122 0.000 1.051 321 V CA 2.019 64.400 62.300 0.134 0.000 1.036 321 V CB -0.884 31.029 31.823 0.150 0.000 0.654 321 V HN 0.889 nan 8.190 nan 0.000 0.451 322 E N 0.165 120.444 120.200 0.131 0.000 2.077 322 E HA -0.227 4.122 4.350 -0.002 0.000 0.193 322 E C 2.165 178.827 176.600 0.104 0.000 0.989 322 E CA 1.862 58.349 56.400 0.146 0.000 0.800 322 E CB -0.300 29.480 29.700 0.134 0.000 0.746 322 E HN 0.793 nan 8.360 nan 0.000 0.452 323 E N 0.661 120.906 120.200 0.075 0.000 2.106 323 E HA -0.107 4.242 4.350 -0.002 0.000 0.192 323 E C 2.042 178.666 176.600 0.041 0.000 0.984 323 E CA 0.927 57.351 56.400 0.041 0.000 0.806 323 E CB -0.110 29.625 29.700 0.058 0.000 0.750 323 E HN 0.194 nan 8.360 nan 0.000 0.458 324 A N 1.315 124.177 122.820 0.070 0.000 1.902 324 A HA -0.161 4.158 4.320 -0.002 0.000 0.217 324 A C 2.194 179.830 177.584 0.086 0.000 1.181 324 A CA 1.079 53.163 52.037 0.078 0.000 0.623 324 A CB -0.646 18.387 19.000 0.054 0.000 0.818 324 A HN 0.142 nan 8.150 nan 0.000 0.443 325 L N -0.957 120.318 121.223 0.087 0.000 2.131 325 L HA -0.150 4.189 4.340 -0.002 0.000 0.210 325 L C 2.743 179.429 176.870 -0.307 0.000 1.092 325 L CA 0.921 55.856 54.840 0.158 0.000 0.759 325 L CB -0.288 42.027 42.059 0.427 0.000 0.903 325 L HN 0.434 nan 8.230 nan 0.000 0.435 326 A N -2.208 120.279 122.820 -0.555 0.000 2.238 326 A HA -0.067 4.252 4.320 -0.002 0.000 0.208 326 A C 0.971 178.363 177.584 -0.320 0.000 1.177 326 A CA -0.064 51.459 52.037 -0.857 0.000 0.804 326 A CB -0.643 18.031 19.000 -0.544 0.000 0.823 326 A HN 0.320 nan 8.150 nan 0.000 0.482 327 H N 0.538 119.496 119.070 -0.186 0.000 2.790 327 H HA 0.100 4.655 4.556 -0.003 0.000 0.358 327 H C -1.812 173.500 175.328 -0.026 0.000 1.103 327 H CA -1.249 54.762 56.048 -0.062 0.000 1.426 327 H CB 1.131 30.898 29.762 0.008 0.000 1.424 327 H HN -0.007 nan 8.280 nan 0.000 0.599 328 P HA -0.212 nan 4.420 nan 0.000 0.217 328 P C 1.120 178.540 177.300 0.199 0.000 1.151 328 P CA 1.293 64.353 63.100 -0.065 0.000 0.849 328 P CB -0.204 31.384 31.700 -0.186 0.000 0.787 329 Y N -0.047 120.480 120.300 0.379 0.000 2.403 329 Y HA -0.068 4.480 4.550 -0.002 0.000 0.291 329 Y C 1.514 177.501 175.900 0.145 0.000 1.143 329 Y CA 1.201 59.427 58.100 0.210 0.000 1.257 329 Y CB -0.673 37.862 38.460 0.126 0.000 0.984 329 Y HN -0.112 nan 8.280 nan 0.000 0.550 330 L N -0.207 121.080 121.223 0.107 0.000 2.769 330 L HA 0.112 4.451 4.340 -0.002 0.000 0.240 330 L C 1.629 178.529 176.870 0.050 0.000 1.163 330 L CA -0.101 54.771 54.840 0.054 0.000 0.962 330 L CB -0.040 42.141 42.059 0.204 0.000 1.258 330 L HN -0.036 nan 8.230 nan 0.000 0.513 331 E N 1.344 121.546 120.200 0.003 0.000 2.130 331 E HA -0.284 4.065 4.350 -0.002 0.000 0.196 331 E C 1.873 178.423 176.600 -0.083 0.000 0.998 331 E CA 1.500 57.894 56.400 -0.010 0.000 0.806 331 E CB -0.075 29.608 29.700 -0.028 0.000 0.738 331 E HN 0.702 nan 8.360 nan 0.000 0.459 332 Q N -0.904 118.753 119.800 -0.239 0.000 2.515 332 Q HA -0.107 4.232 4.340 -0.002 0.000 0.212 332 Q C 0.760 176.388 176.000 -0.619 0.000 0.970 332 Q CA 1.018 56.560 55.803 -0.435 0.000 0.941 332 Q CB -0.009 28.368 28.738 -0.601 0.000 0.998 332 Q HN 0.288 nan 8.270 nan 0.000 0.518 333 Y N -1.498 118.652 120.300 -0.250 0.000 2.701 333 Y HA 0.146 4.694 4.550 -0.002 0.000 0.275 333 Y C 0.151 175.816 175.900 -0.391 0.000 1.133 333 Y CA -1.285 56.501 58.100 -0.523 0.000 1.241 333 Y CB -0.263 37.504 38.460 -1.155 0.000 1.389 333 Y HN 0.073 nan 8.280 nan 0.000 0.486 334 Y N 3.506 123.741 120.300 -0.109 0.000 2.996 334 Y HA 0.079 4.628 4.550 -0.002 0.000 0.347 334 Y C -0.181 175.759 175.900 0.066 0.000 1.276 334 Y CA 0.583 58.738 58.100 0.092 0.000 1.601 334 Y CB 0.116 38.637 38.460 0.100 0.000 1.193 334 Y HN 0.230 nan 8.280 nan 0.000 0.582 335 D N 7.574 127.748 120.400 -0.376 0.000 2.491 335 D HA 0.203 4.841 4.640 -0.002 0.000 0.232 335 D C -2.571 173.538 176.300 -0.318 0.000 1.334 335 D CA -1.481 52.344 54.000 -0.291 0.000 0.909 335 D CB 1.023 41.774 40.800 -0.082 0.000 1.513 335 D HN 0.208 nan 8.370 nan 0.000 0.514 336 P HA -0.053 nan 4.420 nan 0.000 0.231 336 P C 0.938 178.172 177.300 -0.111 0.000 1.154 336 P CA 1.036 63.977 63.100 -0.266 0.000 0.762 336 P CB 0.392 31.965 31.700 -0.212 0.000 0.790 337 T N -2.148 112.348 114.554 -0.097 0.000 3.051 337 T HA -0.026 4.323 4.350 -0.002 0.000 0.255 337 T C 0.925 175.608 174.700 -0.027 0.000 1.085 337 T CA 0.874 62.945 62.100 -0.047 0.000 1.109 337 T CB -0.241 68.604 68.868 -0.040 0.000 0.921 337 T HN 0.091 nan 8.240 nan 0.000 0.488 338 D N 1.463 121.851 120.400 -0.021 0.000 2.772 338 D HA 0.125 4.764 4.640 -0.002 0.000 0.272 338 D C -0.468 175.851 176.300 0.032 0.000 1.314 338 D CA -0.141 53.864 54.000 0.007 0.000 0.835 338 D CB 0.220 41.036 40.800 0.027 0.000 1.080 338 D HN 0.221 nan 8.370 nan 0.000 0.482 339 E N 1.704 121.919 120.200 0.024 0.000 2.675 339 E HA 0.229 4.578 4.350 -0.002 0.000 0.236 339 E C -2.337 174.308 176.600 0.075 0.000 1.059 339 E CA -1.679 54.758 56.400 0.063 0.000 0.775 339 E CB 1.377 31.112 29.700 0.058 0.000 1.356 339 E HN 0.254 nan 8.360 nan 0.000 0.403 340 P HA 0.013 nan 4.420 nan 0.000 0.267 340 P C -0.271 177.173 177.300 0.239 0.000 1.200 340 P CA -0.066 63.099 63.100 0.109 0.000 0.772 340 P CB 1.184 32.898 31.700 0.023 0.000 0.855 341 V N 1.722 121.743 119.914 0.178 0.000 2.919 341 V HA 0.395 4.514 4.120 -0.002 0.000 0.316 341 V C 1.499 177.605 176.094 0.019 0.000 1.077 341 V CA 0.029 62.389 62.300 0.101 0.000 0.977 341 V CB 1.288 33.114 31.823 0.005 0.000 1.039 341 V HN 0.769 nan 8.190 nan 0.000 0.441 342 A N 2.062 124.677 122.820 -0.342 0.000 1.849 342 A HA -0.189 4.130 4.320 -0.002 0.000 0.216 342 A C 1.395 178.866 177.584 -0.189 0.000 1.225 342 A CA 3.113 54.852 52.037 -0.497 0.000 0.653 342 A CB -0.508 18.095 19.000 -0.661 0.000 0.844 342 A HN 1.547 nan 8.150 nan 0.000 0.453 343 E N -4.175 115.922 120.200 -0.172 0.000 3.609 343 E HA -0.133 4.216 4.350 -0.002 0.000 0.133 343 E C 0.082 176.619 176.600 -0.105 0.000 0.731 343 E CA 0.732 57.078 56.400 -0.091 0.000 2.973 343 E CB -1.232 28.444 29.700 -0.039 0.000 1.282 343 E HN 0.463 nan 8.360 nan 0.000 0.735 344 E N 2.340 122.453 120.200 -0.144 0.000 2.165 344 E HA 0.442 4.791 4.350 -0.002 0.000 0.266 344 E C -2.606 173.833 176.600 -0.268 0.000 0.889 344 E CA -2.345 53.980 56.400 -0.124 0.000 0.756 344 E CB 2.159 31.844 29.700 -0.025 0.000 1.131 344 E HN 0.061 nan 8.360 nan 0.000 0.411 345 P HA 0.104 nan 4.420 nan 0.000 0.272 345 P C -0.859 176.366 177.300 -0.124 0.000 1.230 345 P CA 0.227 63.188 63.100 -0.231 0.000 0.788 345 P CB 0.499 32.136 31.700 -0.105 0.000 0.949 346 F N -0.274 119.620 119.950 -0.093 0.000 2.432 346 F HA 0.467 4.993 4.527 -0.002 0.000 0.329 346 F C 0.615 176.277 175.800 -0.231 0.000 1.076 346 F CA -0.499 57.384 58.000 -0.194 0.000 1.018 346 F CB 1.763 40.590 39.000 -0.289 0.000 1.201 346 F HN 0.080 nan 8.300 nan 0.000 0.489 347 T N 2.133 116.634 114.554 -0.088 0.000 2.886 347 T HA 0.444 4.793 4.350 -0.002 0.000 0.292 347 T C -1.345 173.211 174.700 -0.241 0.000 1.012 347 T CA -0.550 61.484 62.100 -0.110 0.000 0.982 347 T CB 1.313 70.166 68.868 -0.024 0.000 1.018 347 T HN 0.140 nan 8.240 nan 0.000 0.451 348 F N 2.209 122.164 119.950 0.008 0.000 2.427 348 F HA 0.608 5.133 4.527 -0.002 0.000 0.348 348 F C 0.736 176.524 175.800 -0.019 0.000 1.125 348 F CA -1.672 56.313 58.000 -0.026 0.000 0.989 348 F CB 1.084 40.058 39.000 -0.045 0.000 1.165 348 F HN 0.787 nan 8.300 nan 0.000 0.442 349 A N 6.113 129.052 122.820 0.198 0.000 2.567 349 A HA -0.002 4.317 4.320 -0.002 0.000 0.263 349 A C 0.710 178.343 177.584 0.082 0.000 1.030 349 A CA 0.018 52.117 52.037 0.103 0.000 0.833 349 A CB -0.500 18.544 19.000 0.074 0.000 0.924 349 A HN 0.639 nan 8.150 nan 0.000 0.518 350 M N 2.535 122.175 119.600 0.067 0.000 2.250 350 M HA 0.034 4.513 4.480 -0.002 0.000 0.337 350 M C 1.269 177.581 176.300 0.020 0.000 1.161 350 M CA 1.585 56.912 55.300 0.045 0.000 1.088 350 M CB -0.432 32.198 32.600 0.049 0.000 1.639 350 M HN 1.121 nan 8.290 nan 0.000 0.447 351 E N 0.343 120.542 120.200 -0.002 0.000 4.027 351 E HA -0.222 4.126 4.350 -0.002 0.000 0.338 351 E C 0.081 176.669 176.600 -0.021 0.000 0.738 351 E CA 0.917 57.309 56.400 -0.013 0.000 1.334 351 E CB -2.458 27.240 29.700 -0.005 0.000 1.687 351 E HN 0.757 nan 8.360 nan 0.000 0.407 352 L N -2.049 119.156 121.223 -0.030 0.000 2.395 352 L HA 0.272 4.610 4.340 -0.002 0.000 0.218 352 L C 1.597 178.425 176.870 -0.069 0.000 1.130 352 L CA 1.496 56.306 54.840 -0.051 0.000 0.826 352 L CB -0.046 41.962 42.059 -0.086 0.000 0.941 352 L HN -0.087 nan 8.230 nan 0.000 0.451 353 D N 0.404 120.765 120.400 -0.066 0.000 2.363 353 D HA -0.087 4.551 4.640 -0.002 0.000 0.220 353 D C 1.029 177.302 176.300 -0.045 0.000 0.994 353 D CA 0.753 54.715 54.000 -0.063 0.000 0.890 353 D CB 0.141 40.909 40.800 -0.054 0.000 0.906 353 D HN 0.478 nan 8.370 nan 0.000 0.530 354 D N -0.853 119.525 120.400 -0.036 0.000 2.423 354 D HA 0.102 4.740 4.640 -0.002 0.000 0.208 354 D C 0.498 176.784 176.300 -0.024 0.000 1.068 354 D CA -0.131 53.853 54.000 -0.028 0.000 0.860 354 D CB 0.273 41.059 40.800 -0.023 0.000 0.992 354 D HN 0.170 nan 8.370 nan 0.000 0.504 355 L N 3.317 124.525 121.223 -0.024 0.000 2.559 355 L HA 0.073 4.412 4.340 -0.002 0.000 0.282 355 L C -1.889 174.972 176.870 -0.016 0.000 1.232 355 L CA -0.929 53.900 54.840 -0.019 0.000 0.885 355 L CB -0.118 41.930 42.059 -0.018 0.000 1.131 355 L HN -0.111 nan 8.230 nan 0.000 0.498 356 P HA 0.053 nan 4.420 nan 0.000 0.275 356 P C -0.208 177.091 177.300 -0.002 0.000 1.227 356 P CA -0.584 62.510 63.100 -0.011 0.000 0.781 356 P CB 0.681 32.371 31.700 -0.016 0.000 0.906 357 K N 3.512 123.919 120.400 0.011 0.000 2.228 357 K HA -0.224 4.094 4.320 -0.002 0.000 0.205 357 K C 1.566 178.181 176.600 0.025 0.000 1.045 357 K CA 1.893 58.206 56.287 0.043 0.000 0.931 357 K CB -1.113 31.428 32.500 0.069 0.000 0.727 357 K HN 0.673 nan 8.250 nan 0.000 0.458 358 E N 1.885 122.080 120.200 -0.008 0.000 2.058 358 E HA -0.213 4.136 4.350 -0.002 0.000 0.194 358 E C 1.988 178.565 176.600 -0.038 0.000 0.997 358 E CA 1.050 57.426 56.400 -0.040 0.000 0.801 358 E CB -0.247 29.427 29.700 -0.044 0.000 0.746 358 E HN 0.339 nan 8.360 nan 0.000 0.450 359 R N 0.047 120.535 120.500 -0.020 0.000 2.148 359 R HA 0.001 4.340 4.340 -0.002 0.000 0.223 359 R C 2.402 178.706 176.300 0.007 0.000 1.088 359 R CA 0.719 56.812 56.100 -0.012 0.000 0.985 359 R CB -0.111 30.183 30.300 -0.009 0.000 0.880 359 R HN 0.255 nan 8.270 nan 0.000 0.451 360 L N 1.261 122.497 121.223 0.022 0.000 2.056 360 L HA -0.130 4.209 4.340 -0.002 0.000 0.207 360 L C 2.355 179.281 176.870 0.094 0.000 1.078 360 L CA 1.698 56.569 54.840 0.052 0.000 0.749 360 L CB -1.084 41.015 42.059 0.067 0.000 0.901 360 L HN 0.155 nan 8.230 nan 0.000 0.433 361 K N 0.552 120.995 120.400 0.070 0.000 2.032 361 K HA -0.203 4.116 4.320 -0.002 0.000 0.209 361 K C 1.933 178.551 176.600 0.031 0.000 1.048 361 K CA 1.616 57.908 56.287 0.008 0.000 0.927 361 K CB 0.081 32.409 32.500 -0.287 0.000 0.712 361 K HN 0.356 nan 8.250 nan 0.000 0.441 362 E N 0.431 120.626 120.200 -0.008 0.000 2.118 362 E HA -0.215 4.134 4.350 -0.002 0.000 0.195 362 E C 1.985 178.645 176.600 0.099 0.000 0.992 362 E CA 0.898 57.308 56.400 0.016 0.000 0.804 362 E CB -0.045 29.640 29.700 -0.026 0.000 0.741 362 E HN 0.183 nan 8.360 nan 0.000 0.458 363 L N 0.712 121.982 121.223 0.080 0.000 2.056 363 L HA -0.129 4.209 4.340 -0.002 0.000 0.207 363 L C 2.267 179.206 176.870 0.115 0.000 1.078 363 L CA 1.452 56.342 54.840 0.084 0.000 0.749 363 L CB -0.760 41.333 42.059 0.056 0.000 0.901 363 L HN 0.199 nan 8.230 nan 0.000 0.433 364 I N -1.678 118.981 120.570 0.148 0.000 2.252 364 I HA -0.347 3.822 4.170 -0.002 0.000 0.245 364 I C 2.411 178.638 176.117 0.183 0.000 1.102 364 I CA 1.097 62.500 61.300 0.172 0.000 1.385 364 I CB -0.323 37.842 38.000 0.274 0.000 1.064 364 I HN 0.100 nan 8.210 nan 0.000 0.414 365 F N 1.433 121.422 119.950 0.065 0.000 2.269 365 F HA -0.229 4.297 4.527 -0.002 0.000 0.301 365 F C 2.503 178.332 175.800 0.048 0.000 1.082 365 F CA 1.604 59.633 58.000 0.049 0.000 1.360 365 F CB -0.103 38.894 39.000 -0.005 0.000 1.041 365 F HN 0.081 nan 8.300 nan 0.000 0.512 366 Q N -0.360 119.571 119.800 0.219 0.000 2.089 366 Q HA -0.131 4.208 4.340 -0.002 0.000 0.195 366 Q C 2.147 178.183 176.000 0.060 0.000 0.963 366 Q CA 1.146 57.029 55.803 0.134 0.000 0.834 366 Q CB -0.225 28.584 28.738 0.119 0.000 0.906 366 Q HN 0.336 nan 8.270 nan 0.000 0.452 367 E N 0.437 120.676 120.200 0.066 0.000 2.097 367 E HA -0.176 4.173 4.350 -0.002 0.000 0.196 367 E C 2.032 178.682 176.600 0.083 0.000 1.000 367 E CA 1.956 58.390 56.400 0.057 0.000 0.804 367 E CB -0.373 29.362 29.700 0.059 0.000 0.740 367 E HN 0.469 nan 8.360 nan 0.000 0.454 368 T N -1.823 112.778 114.554 0.080 0.000 3.148 368 T HA 0.344 4.693 4.350 -0.002 0.000 0.253 368 T C 1.835 176.584 174.700 0.081 0.000 1.134 368 T CA 0.617 62.808 62.100 0.151 0.000 1.051 368 T CB 0.196 69.096 68.868 0.053 0.000 0.959 368 T HN 0.125 nan 8.240 nan 0.000 0.525 369 A N 3.404 126.208 122.820 -0.027 0.000 1.908 369 A HA -0.154 4.165 4.320 -0.002 0.000 0.218 369 A C 2.466 180.014 177.584 -0.061 0.000 1.181 369 A CA 1.638 53.633 52.037 -0.070 0.000 0.627 369 A CB -0.753 18.228 19.000 -0.031 0.000 0.818 369 A HN 0.750 nan 8.150 nan 0.000 0.445 370 R N -1.944 118.480 120.500 -0.127 0.000 2.377 370 R HA -0.004 4.335 4.340 -0.002 0.000 0.207 370 R C 0.763 176.859 176.300 -0.340 0.000 1.075 370 R CA 1.394 57.343 56.100 -0.252 0.000 1.035 370 R CB -0.478 29.601 30.300 -0.368 0.000 0.857 370 R HN 0.414 nan 8.270 nan 0.000 0.475 371 F N 0.751 120.682 119.950 -0.031 0.000 2.731 371 F HA 0.232 4.758 4.527 -0.002 0.000 0.298 371 F C 0.783 176.570 175.800 -0.020 0.000 1.106 371 F CA -0.211 57.779 58.000 -0.018 0.000 1.329 371 F CB 0.191 39.183 39.000 -0.014 0.000 1.100 371 F HN -0.090 nan 8.300 nan 0.000 0.592 372 Q N 3.588 123.448 119.800 0.100 0.000 2.263 372 Q HA 0.100 4.439 4.340 -0.002 0.000 0.270 372 Q C -1.908 174.116 176.000 0.039 0.000 1.104 372 Q CA -1.116 54.715 55.803 0.046 0.000 0.909 372 Q CB 0.178 28.910 28.738 -0.011 0.000 1.214 372 Q HN 0.156 nan 8.270 nan 0.000 0.400 373 P HA 0.215 nan 4.420 nan 0.000 0.272 373 P C -0.444 176.869 177.300 0.021 0.000 1.230 373 P CA -0.341 62.778 63.100 0.033 0.000 0.788 373 P CB 0.862 32.582 31.700 0.033 0.000 0.949 374 G N -0.086 108.722 108.800 0.014 0.000 2.760 374 G HA2 0.573 4.531 3.960 -0.002 0.000 0.285 374 G HA3 0.573 4.531 3.960 -0.002 0.000 0.285 374 G C -1.193 173.712 174.900 0.009 0.000 1.496 374 G CA -0.357 44.750 45.100 0.012 0.000 1.026 374 G HN 0.434 nan 8.290 nan 0.000 0.536 375 V N 0.000 119.920 119.914 0.009 0.000 2.409 375 V HA 0.000 4.119 4.120 -0.002 0.000 0.244 375 V CA 0.000 62.304 62.300 0.006 0.000 1.235 375 V CB 0.000 31.825 31.823 0.003 0.000 1.184 375 V HN 0.000 nan 8.190 nan 0.000 0.556