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 1v51_1_A DATA FIRST_RESID 7 DATA SEQUENCE PFDYILSGGT VIDGTNAPGR LADVGVRGDR IAAVGDLSAS SARRRIDVAG DATA SEQUENCE KVVSPGFIDS HTHDDNYLLK HRDMTPKISQ GVTTVVTGNC GISLAPLAHA DATA SEQUENCE NPPAPLDLLD EGGSFRFARF SDYLEALRAA PPAVNAACMV GHSTLRAAVM DATA SEQUENCE PDLRREATAD EIQAMQALAD DALASGAIGI STGAFYPPAA HASTEEIIEV DATA SEQUENCE CRPLITHGGV YATHMRDEGE HIVQALEETF RIGRELDVPV VISHHKVMGK DATA SEQUENCE LNFGRSKETL ALIEAAMASQ DVSLDAYPYV AGSTMLKQDR VLLAGRTLIT DATA SEQUENCE WCKPYPELSG RDLEEIAAER GKSKYDVVPE LQPAGAIYFM MDEPDVQRIL DATA SEQUENCE AFGPTMIGSD GLPHDERPHP RLWGTFPRVL GHYSRDLGLF PLETAVWKMT DATA SEQUENCE GLTAAKFGLA ERGQVQPGYY ADLVVFDPAT VADSATFEHP TERAAGIHSV DATA SEQUENCE YVNGAAVWED QSFTGQHAGR VLNR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 P HA 0.000 nan 4.420 nan 0.000 0.216 7 P C 0.000 177.347 177.300 0.078 0.000 1.155 7 P CA 0.000 63.047 63.100 -0.088 0.000 0.800 7 P CB 0.000 31.666 31.700 -0.057 0.000 0.726 8 F N 0.826 120.752 119.950 -0.040 0.000 2.410 8 F HA 0.163 4.694 4.527 0.007 0.000 0.334 8 F C 1.978 177.748 175.800 -0.050 0.000 1.134 8 F CA -0.228 57.728 58.000 -0.075 0.000 1.227 8 F CB 0.163 39.097 39.000 -0.111 0.000 1.194 8 F HN 0.237 nan 8.300 nan 0.000 0.571 9 D N 0.159 120.631 120.400 0.120 0.000 2.149 9 D HA -0.104 4.540 4.640 0.007 0.000 0.201 9 D C -0.213 176.241 176.300 0.256 0.000 0.972 9 D CA 1.848 55.935 54.000 0.146 0.000 0.835 9 D CB 0.041 40.932 40.800 0.152 0.000 0.966 9 D HN 0.552 nan 8.370 nan 0.000 0.476 10 Y N -2.229 118.128 120.300 0.094 0.000 2.677 10 Y HA 0.568 5.121 4.550 0.006 0.000 0.334 10 Y C -1.554 174.385 175.900 0.066 0.000 1.196 10 Y CA -1.324 56.818 58.100 0.070 0.000 1.059 10 Y CB 0.808 39.287 38.460 0.032 0.000 1.315 10 Y HN -0.325 nan 8.280 nan 0.000 0.455 11 I N 2.890 123.602 120.570 0.237 0.000 2.498 11 I HA 0.373 4.547 4.170 0.007 0.000 0.290 11 I C -1.090 175.131 176.117 0.174 0.000 1.032 11 I CA -0.935 60.450 61.300 0.142 0.000 1.073 11 I CB 2.184 40.276 38.000 0.153 0.000 1.251 11 I HN 0.548 nan 8.210 nan 0.000 0.426 12 L N 5.975 127.270 121.223 0.119 0.000 2.259 12 L HA 0.368 4.712 4.340 0.007 0.000 0.288 12 L C 0.137 177.039 176.870 0.053 0.000 1.051 12 L CA -0.214 54.684 54.840 0.096 0.000 0.824 12 L CB 0.804 42.902 42.059 0.065 0.000 1.206 12 L HN 0.635 nan 8.230 nan 0.000 0.429 13 S N 0.787 116.518 115.700 0.051 0.000 2.537 13 S HA 0.756 5.229 4.470 0.007 0.000 0.301 13 S C 0.786 175.394 174.600 0.013 0.000 1.092 13 S CA 0.035 58.254 58.200 0.032 0.000 1.048 13 S CB 1.968 65.192 63.200 0.040 0.000 1.053 13 S HN 0.924 nan 8.310 nan 0.000 0.501 14 G N 1.090 109.893 108.800 0.006 0.000 2.159 14 G HA2 -0.071 3.893 3.960 0.007 0.000 0.256 14 G HA3 -0.071 3.893 3.960 0.007 0.000 0.256 14 G C 0.508 175.399 174.900 -0.016 0.000 0.977 14 G CA 0.041 45.138 45.100 -0.004 0.000 0.652 14 G HN 1.350 nan 8.290 nan 0.000 0.531 15 G N -1.335 107.452 108.800 -0.021 0.000 2.671 15 G HA2 0.634 4.598 3.960 0.007 0.000 0.275 15 G HA3 0.634 4.598 3.960 0.007 0.000 0.275 15 G C -0.332 174.545 174.900 -0.038 0.000 1.368 15 G CA 0.365 45.441 45.100 -0.039 0.000 1.044 15 G HN 0.570 nan 8.290 nan 0.000 0.543 16 T N 0.322 114.843 114.554 -0.056 0.000 2.758 16 T HA 0.438 4.792 4.350 0.007 0.000 0.285 16 T C -0.207 174.464 174.700 -0.049 0.000 0.981 16 T CA -0.169 61.903 62.100 -0.047 0.000 0.965 16 T CB 1.445 70.282 68.868 -0.052 0.000 0.927 16 T HN 0.253 nan 8.240 nan 0.000 0.448 17 V N 5.563 125.462 119.914 -0.025 0.000 2.432 17 V HA 0.392 4.516 4.120 0.007 0.000 0.275 17 V C 0.133 176.233 176.094 0.010 0.000 1.043 17 V CA -0.519 61.775 62.300 -0.011 0.000 0.925 17 V CB 0.844 32.661 31.823 -0.010 0.000 0.985 17 V HN 0.791 nan 8.190 nan 0.000 0.466 18 I N 5.093 125.687 120.570 0.040 0.000 2.371 18 I HA 0.255 4.429 4.170 0.007 0.000 0.282 18 I C 0.583 176.759 176.117 0.098 0.000 1.031 18 I CA -0.482 60.866 61.300 0.080 0.000 1.180 18 I CB 1.531 39.612 38.000 0.134 0.000 1.336 18 I HN 0.741 nan 8.210 nan 0.000 0.467 19 D N 4.231 124.670 120.400 0.064 0.000 2.363 19 D HA -0.001 4.643 4.640 0.007 0.000 0.226 19 D C 1.382 177.730 176.300 0.081 0.000 1.020 19 D CA 0.710 54.739 54.000 0.049 0.000 0.892 19 D CB 0.302 41.099 40.800 -0.005 0.000 0.900 19 D HN 0.750 nan 8.370 nan 0.000 0.531 20 G N -0.173 108.714 108.800 0.146 0.000 2.176 20 G HA2 -0.309 3.655 3.960 0.007 0.000 0.253 20 G HA3 -0.309 3.655 3.960 0.007 0.000 0.253 20 G C 0.969 176.042 174.900 0.289 0.000 0.979 20 G CA 0.760 45.988 45.100 0.214 0.000 0.641 20 G HN 0.704 nan 8.290 nan 0.000 0.530 21 T N -2.331 112.327 114.554 0.174 0.000 3.145 21 T HA 0.377 4.731 4.350 0.007 0.000 0.255 21 T C 0.757 175.421 174.700 -0.060 0.000 1.039 21 T CA 0.732 62.908 62.100 0.127 0.000 0.928 21 T CB 0.094 68.981 68.868 0.031 0.000 1.029 21 T HN 1.183 nan 8.240 nan 0.000 0.554 22 N N 0.985 119.654 118.700 -0.052 0.000 2.753 22 N HA -0.122 4.622 4.740 0.007 0.000 0.252 22 N C -0.576 174.837 175.510 -0.163 0.000 1.071 22 N CA 0.733 53.643 53.050 -0.233 0.000 0.690 22 N CB -1.480 36.522 38.487 -0.808 0.000 0.906 22 N HN 1.004 nan 8.380 nan 0.000 0.552 23 A N 0.775 123.558 122.820 -0.061 0.000 2.449 23 A HA 0.775 5.099 4.320 0.007 0.000 0.302 23 A C -2.609 174.969 177.584 -0.010 0.000 1.048 23 A CA -1.306 50.703 52.037 -0.046 0.000 0.708 23 A CB 1.439 20.416 19.000 -0.038 0.000 1.274 23 A HN 0.121 nan 8.150 nan 0.000 0.410 24 P HA 0.209 nan 4.420 nan 0.000 0.265 24 P C 0.683 177.991 177.300 0.013 0.000 1.187 24 P CA 0.603 63.709 63.100 0.009 0.000 0.766 24 P CB 0.590 32.292 31.700 0.003 0.000 0.820 25 G N 2.617 111.431 108.800 0.024 0.000 2.554 25 G HA2 0.364 4.328 3.960 0.007 0.000 0.238 25 G HA3 0.364 4.328 3.960 0.007 0.000 0.238 25 G C -0.346 174.556 174.900 0.004 0.000 1.259 25 G CA -0.292 44.817 45.100 0.016 0.000 0.843 25 G HN 0.575 nan 8.290 nan 0.000 0.582 26 R N 0.292 120.791 120.500 -0.003 0.000 2.771 26 R HA 0.557 4.901 4.340 0.007 0.000 0.274 26 R C -0.828 175.466 176.300 -0.010 0.000 0.987 26 R CA -1.124 54.973 56.100 -0.006 0.000 0.908 26 R CB 0.958 31.254 30.300 -0.007 0.000 1.213 26 R HN 0.315 nan 8.270 nan 0.000 0.468 27 L N 1.694 122.911 121.223 -0.009 0.000 2.462 27 L HA 0.614 4.958 4.340 0.007 0.000 0.272 27 L C -0.065 176.799 176.870 -0.009 0.000 1.166 27 L CA 0.188 55.021 54.840 -0.011 0.000 0.880 27 L CB 0.784 42.839 42.059 -0.008 0.000 1.142 27 L HN 0.971 nan 8.230 nan 0.000 0.473 28 A N 3.162 125.975 122.820 -0.010 0.000 2.599 28 A HA 0.526 4.850 4.320 0.007 0.000 0.294 28 A C -1.666 175.914 177.584 -0.006 0.000 1.055 28 A CA -0.912 51.120 52.037 -0.008 0.000 0.683 28 A CB 1.242 20.235 19.000 -0.012 0.000 1.278 28 A HN 0.557 nan 8.150 nan 0.000 0.412 29 D N 0.205 120.606 120.400 0.001 0.000 2.294 29 D HA 0.553 5.197 4.640 0.007 0.000 0.250 29 D C -0.587 175.706 176.300 -0.011 0.000 1.058 29 D CA -0.076 53.928 54.000 0.007 0.000 0.950 29 D CB 1.911 42.729 40.800 0.030 0.000 1.158 29 D HN 0.268 nan 8.370 nan 0.000 0.453 30 V N 0.582 120.481 119.914 -0.025 0.000 2.483 30 V HA 0.588 4.712 4.120 0.007 0.000 0.297 30 V C 0.484 176.494 176.094 -0.140 0.000 1.027 30 V CA -0.834 61.417 62.300 -0.082 0.000 0.855 30 V CB 1.742 33.518 31.823 -0.078 0.000 0.995 30 V HN 0.616 nan 8.190 nan 0.000 0.424 31 G N 3.329 111.974 108.800 -0.258 0.000 2.356 31 G HA2 0.645 4.608 3.960 0.007 0.000 0.322 31 G HA3 0.645 4.608 3.960 0.007 0.000 0.322 31 G C -1.107 173.354 174.900 -0.732 0.000 1.125 31 G CA -0.465 44.349 45.100 -0.477 0.000 0.885 31 G HN 0.538 nan 8.290 nan 0.000 0.467 32 V N 1.857 121.290 119.914 -0.802 0.000 2.604 32 V HA 0.686 4.810 4.120 0.007 0.000 0.305 32 V C -0.212 175.540 176.094 -0.570 0.000 1.043 32 V CA -0.976 60.866 62.300 -0.764 0.000 0.888 32 V CB 1.930 33.084 31.823 -1.115 0.000 0.995 32 V HN 0.828 nan 8.190 nan 0.000 0.429 33 R N 2.888 123.175 120.500 -0.355 0.000 2.483 33 R HA 0.691 5.035 4.340 0.007 0.000 0.303 33 R C 0.424 176.677 176.300 -0.078 0.000 0.987 33 R CA 0.730 56.745 56.100 -0.142 0.000 0.881 33 R CB 1.057 31.319 30.300 -0.064 0.000 1.177 33 R HN 1.208 nan 8.270 nan 0.000 0.451 34 G N 3.891 112.684 108.800 -0.012 0.000 2.591 34 G HA2 -0.412 3.552 3.960 0.007 0.000 0.298 34 G HA3 -0.412 3.552 3.960 0.007 0.000 0.298 34 G C 0.050 174.979 174.900 0.047 0.000 1.195 34 G CA 0.613 45.733 45.100 0.033 0.000 0.989 34 G HN 0.787 nan 8.290 nan 0.000 0.551 35 D N 1.032 121.475 120.400 0.072 0.000 2.325 35 D HA 0.204 4.848 4.640 0.007 0.000 0.225 35 D C 0.973 177.346 176.300 0.121 0.000 1.096 35 D CA 0.279 54.361 54.000 0.136 0.000 0.844 35 D CB 0.103 41.032 40.800 0.215 0.000 0.925 35 D HN 0.465 nan 8.370 nan 0.000 0.513 36 R N 0.356 120.851 120.500 -0.009 0.000 2.778 36 R HA 0.494 4.838 4.340 0.007 0.000 0.277 36 R C -0.074 176.133 176.300 -0.154 0.000 0.977 36 R CA -0.940 55.109 56.100 -0.084 0.000 0.950 36 R CB 1.772 31.992 30.300 -0.134 0.000 1.165 36 R HN 0.057 nan 8.270 nan 0.000 0.474 37 I N 2.012 122.500 120.570 -0.136 0.000 2.436 37 I HA 0.026 4.200 4.170 0.007 0.000 0.289 37 I C 1.299 177.263 176.117 -0.254 0.000 1.083 37 I CA 0.183 61.362 61.300 -0.202 0.000 1.372 37 I CB 1.395 39.326 38.000 -0.114 0.000 1.408 37 I HN 0.726 nan 8.210 nan 0.000 0.516 38 A N 5.616 128.174 122.820 -0.437 0.000 1.984 38 A HA 0.611 4.935 4.320 0.007 0.000 0.214 38 A C 0.922 178.293 177.584 -0.356 0.000 1.173 38 A CA 0.895 52.656 52.037 -0.460 0.000 0.673 38 A CB 0.170 18.673 19.000 -0.828 0.000 0.830 38 A HN 0.769 nan 8.150 nan 0.000 0.453 39 A N -1.899 120.689 122.820 -0.387 0.000 2.608 39 A HA 0.589 4.913 4.320 0.007 0.000 0.292 39 A C -1.581 175.922 177.584 -0.135 0.000 1.066 39 A CA -0.300 51.636 52.037 -0.168 0.000 0.676 39 A CB 0.837 19.832 19.000 -0.008 0.000 1.277 39 A HN 0.623 nan 8.150 nan 0.000 0.413 40 V N 0.624 120.499 119.914 -0.065 0.000 2.733 40 V HA 0.880 5.004 4.120 0.007 0.000 0.306 40 V C 0.595 176.678 176.094 -0.019 0.000 1.084 40 V CA 0.561 62.831 62.300 -0.050 0.000 0.905 40 V CB 1.131 32.916 31.823 -0.063 0.000 1.010 40 V HN 2.564 nan 8.190 nan 0.000 0.424 41 G N 3.796 112.592 108.800 -0.006 0.000 2.288 41 G HA2 0.119 4.083 3.960 0.007 0.000 0.227 41 G HA3 0.119 4.083 3.960 0.007 0.000 0.227 41 G C -1.496 173.412 174.900 0.013 0.000 1.339 41 G CA -0.178 44.923 45.100 0.002 0.000 1.057 41 G HN 0.755 nan 8.290 nan 0.000 0.470 42 D N 1.154 121.563 120.400 0.015 0.000 2.365 42 D HA 0.465 5.109 4.640 0.007 0.000 0.237 42 D C 1.159 177.478 176.300 0.031 0.000 1.190 42 D CA -0.282 53.729 54.000 0.018 0.000 0.867 42 D CB 0.327 41.133 40.800 0.010 0.000 1.050 42 D HN 0.378 nan 8.370 nan 0.000 0.491 43 L N 3.078 124.329 121.223 0.045 0.000 2.872 43 L HA 0.071 4.415 4.340 0.007 0.000 0.245 43 L C 2.045 178.936 176.870 0.035 0.000 1.211 43 L CA -0.173 54.710 54.840 0.071 0.000 1.013 43 L CB -0.125 42.022 42.059 0.147 0.000 1.326 43 L HN 0.345 nan 8.230 nan 0.000 0.525 44 S N 0.428 116.138 115.700 0.017 0.000 2.400 44 S HA -0.197 4.277 4.470 0.007 0.000 0.232 44 S C 1.891 176.479 174.600 -0.019 0.000 1.025 44 S CA 1.052 59.254 58.200 0.002 0.000 0.993 44 S CB -0.160 63.041 63.200 0.001 0.000 0.808 44 S HN 0.417 nan 8.310 nan 0.000 0.478 45 A N 0.751 123.555 122.820 -0.025 0.000 2.251 45 A HA 0.466 4.790 4.320 0.007 0.000 0.209 45 A C 0.930 178.458 177.584 -0.094 0.000 1.187 45 A CA -0.182 51.827 52.037 -0.047 0.000 0.823 45 A CB -0.173 18.806 19.000 -0.034 0.000 0.846 45 A HN 0.402 nan 8.150 nan 0.000 0.486 46 S N 0.365 115.988 115.700 -0.127 0.000 2.480 46 S HA 0.369 4.843 4.470 0.007 0.000 0.286 46 S C 0.306 174.711 174.600 -0.325 0.000 1.180 46 S CA -0.369 57.647 58.200 -0.307 0.000 1.075 46 S CB 1.296 64.220 63.200 -0.459 0.000 0.996 46 S HN 0.416 nan 8.310 nan 0.000 0.487 47 S N 2.464 117.955 115.700 -0.349 0.000 2.549 47 S HA 0.549 5.023 4.470 0.007 0.000 0.283 47 S C -0.138 174.300 174.600 -0.271 0.000 1.320 47 S CA -0.377 57.679 58.200 -0.240 0.000 1.058 47 S CB 0.047 63.135 63.200 -0.187 0.000 0.882 47 S HN 0.904 nan 8.310 nan 0.000 0.498 48 A N 4.539 127.298 122.820 -0.102 0.000 2.549 48 A HA 0.569 4.893 4.320 0.007 0.000 0.297 48 A C 0.522 178.130 177.584 0.040 0.000 1.061 48 A CA -0.826 51.215 52.037 0.006 0.000 0.690 48 A CB 1.147 20.200 19.000 0.087 0.000 1.287 48 A HN 0.895 nan 8.150 nan 0.000 0.402 49 R N -0.071 120.476 120.500 0.079 0.000 2.189 49 R HA 0.065 4.409 4.340 0.007 0.000 0.218 49 R C 0.083 176.434 176.300 0.085 0.000 1.074 49 R CA 0.955 57.099 56.100 0.074 0.000 0.991 49 R CB 0.099 30.450 30.300 0.085 0.000 0.883 49 R HN 0.640 nan 8.270 nan 0.000 0.457 50 R N -0.149 120.426 120.500 0.124 0.000 2.626 50 R HA 0.358 4.702 4.340 0.007 0.000 0.274 50 R C -0.984 175.399 176.300 0.139 0.000 1.031 50 R CA -0.771 55.402 56.100 0.120 0.000 0.898 50 R CB 2.387 32.767 30.300 0.133 0.000 1.222 50 R HN -0.116 nan 8.270 nan 0.000 0.455 51 R N 3.323 123.884 120.500 0.101 0.000 2.407 51 R HA 0.382 4.726 4.340 0.007 0.000 0.298 51 R C -0.884 175.466 176.300 0.083 0.000 1.166 51 R CA -0.377 55.781 56.100 0.096 0.000 1.006 51 R CB 0.692 31.031 30.300 0.065 0.000 1.145 51 R HN 0.544 nan 8.270 nan 0.000 0.538 52 I N 2.953 123.585 120.570 0.103 0.000 2.337 52 I HA 0.072 4.246 4.170 0.007 0.000 0.291 52 I C 0.176 176.332 176.117 0.064 0.000 1.046 52 I CA -0.445 60.907 61.300 0.086 0.000 1.324 52 I CB 1.067 39.130 38.000 0.105 0.000 1.409 52 I HN 0.473 nan 8.210 nan 0.000 0.494 53 D N 6.736 127.161 120.400 0.043 0.000 2.371 53 D HA 0.153 4.797 4.640 0.007 0.000 0.256 53 D C 0.478 176.770 176.300 -0.014 0.000 1.193 53 D CA -0.179 53.831 54.000 0.017 0.000 0.881 53 D CB 1.087 41.894 40.800 0.011 0.000 1.143 53 D HN 0.336 nan 8.370 nan 0.000 0.473 54 V N 1.739 121.637 119.914 -0.026 0.000 2.991 54 V HA 0.598 4.722 4.120 0.007 0.000 0.355 54 V C 0.633 176.684 176.094 -0.071 0.000 1.384 54 V CA -0.336 61.919 62.300 -0.076 0.000 1.171 54 V CB -0.387 31.406 31.823 -0.050 0.000 1.190 54 V HN 0.609 nan 8.190 nan 0.000 0.540 55 A N 0.803 123.594 122.820 -0.047 0.000 2.561 55 A HA 0.486 4.810 4.320 0.007 0.000 0.234 55 A C 1.744 179.299 177.584 -0.048 0.000 1.055 55 A CA 1.158 53.172 52.037 -0.038 0.000 0.756 55 A CB -0.543 18.444 19.000 -0.022 0.000 0.986 55 A HN 2.165 nan 8.150 nan 0.000 0.505 56 G N 1.258 110.033 108.800 -0.041 0.000 2.225 56 G HA2 -0.207 3.757 3.960 0.007 0.000 0.254 56 G HA3 -0.207 3.757 3.960 0.007 0.000 0.254 56 G C 0.347 175.213 174.900 -0.057 0.000 0.988 56 G CA 0.744 45.822 45.100 -0.037 0.000 0.625 56 G HN 0.805 nan 8.290 nan 0.000 0.527 57 K N -0.070 120.276 120.400 -0.089 0.000 2.211 57 K HA 0.777 5.101 4.320 0.007 0.000 0.237 57 K C -0.150 176.336 176.600 -0.191 0.000 1.002 57 K CA -0.793 55.413 56.287 -0.135 0.000 0.885 57 K CB 2.190 34.609 32.500 -0.136 0.000 1.136 57 K HN 0.137 nan 8.250 nan 0.000 0.448 58 V N 1.334 121.028 119.914 -0.367 0.000 2.483 58 V HA 0.281 4.405 4.120 0.007 0.000 0.295 58 V C -0.490 175.412 176.094 -0.320 0.000 1.035 58 V CA -0.910 61.127 62.300 -0.438 0.000 0.896 58 V CB 1.940 33.233 31.823 -0.883 0.000 0.986 58 V HN 0.376 nan 8.190 nan 0.000 0.447 59 V N 4.844 124.680 119.914 -0.130 0.000 2.357 59 V HA 0.633 4.756 4.120 0.007 0.000 0.284 59 V C 0.190 176.313 176.094 0.049 0.000 1.018 59 V CA -0.164 62.130 62.300 -0.010 0.000 0.841 59 V CB 1.471 33.297 31.823 0.005 0.000 0.991 59 V HN 1.025 nan 8.190 nan 0.000 0.437 60 S N 5.881 121.672 115.700 0.152 0.000 2.709 60 S HA 0.839 5.313 4.470 0.007 0.000 0.302 60 S C -3.122 171.583 174.600 0.175 0.000 1.127 60 S CA -1.969 56.369 58.200 0.230 0.000 0.905 60 S CB 2.583 66.081 63.200 0.497 0.000 1.151 60 S HN 0.405 nan 8.310 nan 0.000 0.510 61 P HA 0.337 nan 4.420 nan 0.000 0.274 61 P C 0.153 177.494 177.300 0.068 0.000 1.246 61 P CA -0.075 63.104 63.100 0.132 0.000 0.795 61 P CB 0.015 31.811 31.700 0.159 0.000 1.006 62 G N 0.725 109.523 108.800 -0.004 0.000 2.491 62 G HA2 0.263 4.227 3.960 0.007 0.000 0.242 62 G HA3 0.263 4.227 3.960 0.007 0.000 0.242 62 G C -0.681 174.176 174.900 -0.071 0.000 1.266 62 G CA -0.236 44.760 45.100 -0.173 0.000 0.844 62 G HN 0.205 nan 8.290 nan 0.000 0.571 63 F N 0.347 120.207 119.950 -0.149 0.000 2.443 63 F HA 0.372 4.904 4.527 0.009 0.000 0.353 63 F C 0.885 176.466 175.800 -0.365 0.000 1.101 63 F CA -1.275 56.545 58.000 -0.299 0.000 1.226 63 F CB 0.783 39.449 39.000 -0.557 0.000 1.140 63 F HN 0.132 nan 8.300 nan 0.000 0.557 64 I N 2.972 123.492 120.570 -0.084 0.000 2.330 64 I HA 0.130 4.304 4.170 0.007 0.000 0.289 64 I C -0.164 175.866 176.117 -0.146 0.000 1.001 64 I CA -0.643 60.584 61.300 -0.122 0.000 1.193 64 I CB 1.072 39.047 38.000 -0.041 0.000 1.345 64 I HN 0.389 nan 8.210 nan 0.000 0.461 65 D N 4.761 125.051 120.400 -0.182 0.000 2.374 65 D HA 0.037 4.681 4.640 0.007 0.000 0.240 65 D C 1.340 177.628 176.300 -0.020 0.000 1.229 65 D CA 0.031 54.046 54.000 0.024 0.000 0.895 65 D CB 1.077 41.886 40.800 0.015 0.000 1.046 65 D HN 0.602 nan 8.370 nan 0.000 0.498 66 S N 3.049 118.788 115.700 0.065 0.000 2.442 66 S HA -0.184 4.290 4.470 0.007 0.000 0.236 66 S C 0.788 175.380 174.600 -0.015 0.000 1.007 66 S CA 0.655 58.830 58.200 -0.043 0.000 0.965 66 S CB -0.166 63.165 63.200 0.218 0.000 0.773 66 S HN 0.641 nan 8.310 nan 0.000 0.504 67 H N 0.901 119.955 119.070 -0.027 0.000 3.177 67 H HA 0.500 5.060 4.556 0.007 0.000 0.314 67 H C -0.430 174.830 175.328 -0.114 0.000 1.059 67 H CA 0.121 56.135 56.048 -0.057 0.000 1.515 67 H CB 1.105 30.890 29.762 0.040 0.000 1.672 67 H HN 0.324 nan 8.280 nan 0.000 0.514 68 T N 0.896 115.187 114.554 -0.439 0.000 2.907 68 T HA 0.312 4.666 4.350 0.007 0.000 0.290 68 T C -0.362 173.947 174.700 -0.653 0.000 1.066 68 T CA -0.862 61.015 62.100 -0.371 0.000 1.012 68 T CB 1.696 70.444 68.868 -0.200 0.000 1.184 68 T HN 0.668 nan 8.240 nan 0.000 0.522 69 H N 0.686 119.702 119.070 -0.090 0.000 2.591 69 H HA 0.292 4.852 4.556 0.006 0.000 0.241 69 H C -0.407 174.908 175.328 -0.022 0.000 1.292 69 H CA -0.425 55.598 56.048 -0.043 0.000 1.022 69 H CB 0.289 30.058 29.762 0.010 0.000 1.875 69 H HN 0.620 nan 8.280 nan 0.000 0.570 70 D N 0.302 120.699 120.400 -0.004 0.000 2.328 70 D HA -0.034 4.609 4.640 0.007 0.000 0.221 70 D C 0.996 177.360 176.300 0.107 0.000 1.072 70 D CA 0.100 54.119 54.000 0.032 0.000 0.850 70 D CB 0.320 41.102 40.800 -0.029 0.000 0.922 70 D HN 0.352 nan 8.370 nan 0.000 0.516 71 D N 0.767 121.218 120.400 0.084 0.000 2.154 71 D HA -0.225 4.419 4.640 0.007 0.000 0.190 71 D C 1.729 178.112 176.300 0.138 0.000 1.003 71 D CA 1.238 55.278 54.000 0.067 0.000 0.849 71 D CB -0.146 40.591 40.800 -0.105 0.000 0.942 71 D HN 0.132 nan 8.370 nan 0.000 0.446 72 N N -1.493 117.297 118.700 0.150 0.000 2.368 72 N HA -0.093 4.651 4.740 0.007 0.000 0.176 72 N C 1.442 177.109 175.510 0.261 0.000 1.021 72 N CA 0.294 53.443 53.050 0.165 0.000 0.888 72 N CB -0.237 38.276 38.487 0.043 0.000 0.995 72 N HN 0.138 nan 8.380 nan 0.000 0.437 73 Y N 1.066 121.479 120.300 0.189 0.000 2.256 73 Y HA -0.049 4.505 4.550 0.007 0.000 0.288 73 Y C 1.786 177.702 175.900 0.027 0.000 1.155 73 Y CA 1.320 59.470 58.100 0.084 0.000 1.203 73 Y CB -0.151 38.230 38.460 -0.132 0.000 0.980 73 Y HN 0.084 nan 8.280 nan 0.000 0.530 74 L N -0.925 120.357 121.223 0.099 0.000 2.191 74 L HA -0.251 4.093 4.340 0.007 0.000 0.212 74 L C 2.050 178.860 176.870 -0.100 0.000 1.103 74 L CA 1.054 55.884 54.840 -0.017 0.000 0.769 74 L CB -0.436 41.609 42.059 -0.023 0.000 0.908 74 L HN 0.277 nan 8.230 nan 0.000 0.438 75 L N -1.230 119.949 121.223 -0.073 0.000 2.168 75 L HA -0.030 4.313 4.340 0.007 0.000 0.203 75 L C 2.432 179.194 176.870 -0.180 0.000 1.078 75 L CA 0.543 55.319 54.840 -0.107 0.000 0.780 75 L CB -0.280 41.772 42.059 -0.012 0.000 0.939 75 L HN 0.088 nan 8.230 nan 0.000 0.451 76 K N -1.028 119.233 120.400 -0.232 0.000 2.262 76 K HA 0.109 4.433 4.320 0.007 0.000 0.200 76 K C 0.272 176.367 176.600 -0.841 0.000 1.049 76 K CA 0.828 56.841 56.287 -0.457 0.000 0.979 76 K CB 0.159 32.426 32.500 -0.388 0.000 0.773 76 K HN 0.301 nan 8.250 nan 0.000 0.474 77 H N 0.518 119.303 119.070 -0.474 0.000 2.380 77 H HA 0.288 4.848 4.556 0.007 0.000 0.231 77 H C 0.558 175.655 175.328 -0.384 0.000 1.415 77 H CA -0.178 55.554 56.048 -0.527 0.000 1.433 77 H CB 0.616 29.747 29.762 -1.053 0.000 1.544 77 H HN -0.005 nan 8.280 nan 0.000 0.503 78 R N 0.564 120.938 120.500 -0.209 0.000 2.200 78 R HA -0.131 4.213 4.340 0.007 0.000 0.234 78 R C 1.532 177.740 176.300 -0.154 0.000 1.127 78 R CA 1.636 57.632 56.100 -0.173 0.000 0.989 78 R CB 0.105 30.220 30.300 -0.308 0.000 0.869 78 R HN 0.576 nan 8.270 nan 0.000 0.459 79 D N 0.602 120.841 120.400 -0.269 0.000 2.178 79 D HA -0.203 4.441 4.640 0.007 0.000 0.201 79 D C 0.711 176.695 176.300 -0.527 0.000 0.980 79 D CA 0.596 54.102 54.000 -0.825 0.000 0.842 79 D CB -0.067 40.383 40.800 -0.582 0.000 0.948 79 D HN 0.039 nan 8.370 nan 0.000 0.472 80 M N 0.779 120.252 119.600 -0.212 0.000 2.393 80 M HA -0.179 4.305 4.480 0.007 0.000 0.201 80 M C 0.790 176.974 176.300 -0.193 0.000 0.403 80 M CA 0.629 55.871 55.300 -0.096 0.000 0.471 80 M CB -2.900 29.629 32.600 -0.119 0.000 1.669 80 M HN 0.085 nan 8.290 nan 0.000 0.864 81 T N 0.013 114.472 114.554 -0.159 0.000 2.699 81 T HA -0.136 4.218 4.350 0.007 0.000 0.268 81 T C -0.729 173.637 174.700 -0.556 0.000 1.036 81 T CA 2.021 64.007 62.100 -0.190 0.000 1.147 81 T CB -0.645 68.295 68.868 0.119 0.000 0.862 81 T HN 0.390 nan 8.240 nan 0.000 0.446 82 P HA -0.069 nan 4.420 nan 0.000 0.218 82 P C 1.486 178.273 177.300 -0.855 0.000 1.148 82 P CA 1.163 63.258 63.100 -1.675 0.000 0.822 82 P CB 0.062 30.818 31.700 -1.574 0.000 0.784 83 K N -0.531 119.541 120.400 -0.547 0.000 2.141 83 K HA 0.131 4.455 4.320 0.007 0.000 0.202 83 K C 2.139 178.533 176.600 -0.344 0.000 1.045 83 K CA 0.859 56.936 56.287 -0.351 0.000 0.971 83 K CB -1.100 31.240 32.500 -0.266 0.000 0.795 83 K HN 0.274 nan 8.250 nan 0.000 0.459 84 I N 0.458 120.808 120.570 -0.367 0.000 2.454 84 I HA -0.166 4.008 4.170 0.007 0.000 0.254 84 I C 1.988 177.674 176.117 -0.718 0.000 1.156 84 I CA 1.582 62.656 61.300 -0.376 0.000 1.433 84 I CB -0.647 37.240 38.000 -0.188 0.000 1.082 84 I HN -0.047 nan 8.210 nan 0.000 0.432 85 S N 0.555 115.663 115.700 -0.988 0.000 2.507 85 S HA -0.105 4.369 4.470 0.007 0.000 0.235 85 S C 1.747 176.005 174.600 -0.571 0.000 0.988 85 S CA 0.696 58.065 58.200 -1.385 0.000 0.944 85 S CB -0.454 62.185 63.200 -0.935 0.000 0.762 85 S HN 0.706 nan 8.310 nan 0.000 0.526 86 Q N 0.165 119.776 119.800 -0.315 0.000 2.282 86 Q HA 0.355 4.698 4.340 0.007 0.000 0.206 86 Q C 1.204 177.242 176.000 0.064 0.000 0.878 86 Q CA 0.270 56.062 55.803 -0.019 0.000 0.944 86 Q CB 0.587 29.404 28.738 0.131 0.000 1.100 86 Q HN 0.746 nan 8.270 nan 0.000 0.509 87 G N 0.638 109.338 108.800 -0.166 0.000 2.176 87 G HA2 -0.220 3.744 3.960 0.007 0.000 0.232 87 G HA3 -0.220 3.744 3.960 0.007 0.000 0.232 87 G C 0.134 174.769 174.900 -0.442 0.000 0.986 87 G CA -0.177 44.713 45.100 -0.349 0.000 0.643 87 G HN 0.183 nan 8.290 nan 0.000 0.522 88 V N 1.921 121.667 119.914 -0.281 0.000 2.555 88 V HA 0.471 4.595 4.120 0.007 0.000 0.286 88 V C 1.645 177.593 176.094 -0.242 0.000 1.044 88 V CA 1.305 63.415 62.300 -0.317 0.000 1.026 88 V CB 1.253 32.871 31.823 -0.342 0.000 0.981 88 V HN 0.716 nan 8.190 nan 0.000 0.480 89 T N -0.295 114.137 114.554 -0.203 0.000 2.959 89 T HA 0.193 4.547 4.350 0.007 0.000 0.254 89 T C 0.539 175.171 174.700 -0.112 0.000 1.003 89 T CA 0.021 62.044 62.100 -0.129 0.000 0.950 89 T CB 0.450 69.264 68.868 -0.089 0.000 1.090 89 T HN 0.570 nan 8.240 nan 0.000 0.503 90 T N 2.255 116.728 114.554 -0.135 0.000 2.952 90 T HA 0.643 4.997 4.350 0.007 0.000 0.305 90 T C -1.099 173.507 174.700 -0.157 0.000 1.064 90 T CA -0.687 61.335 62.100 -0.129 0.000 1.008 90 T CB 2.292 71.094 68.868 -0.109 0.000 1.078 90 T HN 0.433 nan 8.240 nan 0.000 0.459 91 V N 0.328 120.152 119.914 -0.151 0.000 2.680 91 V HA 0.891 5.015 4.120 0.007 0.000 0.309 91 V C -0.546 175.432 176.094 -0.194 0.000 1.052 91 V CA -0.904 61.297 62.300 -0.164 0.000 0.908 91 V CB 1.738 33.480 31.823 -0.134 0.000 1.001 91 V HN 0.627 nan 8.190 nan 0.000 0.431 92 V N 4.578 124.333 119.914 -0.265 0.000 2.350 92 V HA 0.596 4.720 4.120 0.007 0.000 0.276 92 V C 0.815 176.756 176.094 -0.256 0.000 1.028 92 V CA 0.507 62.607 62.300 -0.334 0.000 0.860 92 V CB 1.276 32.714 31.823 -0.643 0.000 0.990 92 V HN 1.245 nan 8.190 nan 0.000 0.453 93 T N 0.836 115.294 114.554 -0.160 0.000 2.922 93 T HA 0.694 5.047 4.350 0.007 0.000 0.281 93 T C 0.720 175.369 174.700 -0.085 0.000 1.005 93 T CA -0.069 61.956 62.100 -0.124 0.000 0.982 93 T CB 1.625 70.477 68.868 -0.027 0.000 1.158 93 T HN 1.819 nan 8.240 nan 0.000 0.566 94 G N 1.162 109.927 108.800 -0.059 0.000 2.324 94 G HA2 -0.203 3.761 3.960 0.007 0.000 0.292 94 G HA3 -0.203 3.761 3.960 0.007 0.000 0.292 94 G C -0.393 174.504 174.900 -0.004 0.000 1.079 94 G CA -0.093 45.013 45.100 0.010 0.000 1.026 94 G HN 1.014 nan 8.290 nan 0.000 0.506 95 N N -1.465 117.194 118.700 -0.069 0.000 2.489 95 N HA 0.567 5.311 4.740 0.007 0.000 0.284 95 N C 1.201 176.855 175.510 0.241 0.000 1.158 95 N CA 0.084 53.102 53.050 -0.052 0.000 0.965 95 N CB 1.001 39.152 38.487 -0.561 0.000 1.195 95 N HN 0.675 nan 8.380 nan 0.000 0.506 96 C N 0.896 120.373 119.300 0.294 0.000 4.356 96 C HA -0.106 4.357 4.460 0.007 0.000 0.296 96 C C 1.464 176.637 174.990 0.305 0.000 1.424 96 C CA 0.525 59.794 59.018 0.419 0.000 2.000 96 C CB -2.663 25.483 27.740 0.676 0.000 1.262 96 C HN 1.210 nan 8.230 nan 0.000 0.789 97 G N -0.704 108.223 108.800 0.210 0.000 2.184 97 G HA2 -0.292 3.671 3.960 0.007 0.000 0.264 97 G HA3 -0.292 3.671 3.960 0.007 0.000 0.264 97 G C -0.146 174.839 174.900 0.140 0.000 0.975 97 G CA 0.376 45.588 45.100 0.186 0.000 0.642 97 G HN 0.915 nan 8.290 nan 0.000 0.536 98 I N 2.559 123.220 120.570 0.152 0.000 2.307 98 I HA 0.488 4.662 4.170 0.007 0.000 0.287 98 I C 0.525 176.729 176.117 0.146 0.000 1.054 98 I CA -0.132 61.248 61.300 0.133 0.000 1.218 98 I CB 1.316 39.385 38.000 0.116 0.000 1.398 98 I HN 0.284 nan 8.210 nan 0.000 0.475 99 S N 4.990 120.772 115.700 0.136 0.000 2.566 99 S HA 0.452 4.926 4.470 0.007 0.000 0.298 99 S C 0.308 174.941 174.600 0.056 0.000 1.083 99 S CA -0.855 57.393 58.200 0.080 0.000 0.978 99 S CB 2.375 65.650 63.200 0.125 0.000 1.073 99 S HN 0.503 nan 8.310 nan 0.000 0.491 100 L N 1.278 122.366 121.223 -0.224 0.000 2.156 100 L HA 0.390 4.734 4.340 0.007 0.000 0.208 100 L C 0.783 177.529 176.870 -0.206 0.000 1.095 100 L CA 1.807 56.389 54.840 -0.430 0.000 0.770 100 L CB -0.846 40.820 42.059 -0.655 0.000 0.914 100 L HN 0.979 nan 8.230 nan 0.000 0.439 101 A N -0.616 122.065 122.820 -0.232 0.000 2.423 101 A HA 0.793 5.116 4.320 0.007 0.000 0.304 101 A C -2.689 175.045 177.584 0.250 0.000 1.104 101 A CA -1.371 50.667 52.037 0.001 0.000 0.757 101 A CB 1.078 19.940 19.000 -0.230 0.000 1.313 101 A HN 0.036 nan 8.150 nan 0.000 0.423 102 P HA 0.584 nan 4.420 nan 0.000 0.301 102 P C -1.418 176.005 177.300 0.205 0.000 1.348 102 P CA -0.279 62.958 63.100 0.229 0.000 0.826 102 P CB 1.353 33.186 31.700 0.221 0.000 0.945 103 L N 2.989 124.351 121.223 0.233 0.000 2.847 103 L HA 0.574 4.918 4.340 0.007 0.000 0.261 103 L C -1.688 175.326 176.870 0.239 0.000 0.926 103 L CA -0.503 54.472 54.840 0.224 0.000 1.010 103 L CB 1.412 43.621 42.059 0.250 0.000 1.538 103 L HN 0.443 nan 8.230 nan 0.000 0.465 104 A N 3.932 126.847 122.820 0.157 0.000 2.316 104 A HA 0.747 5.071 4.320 0.007 0.000 0.324 104 A C -1.150 176.505 177.584 0.119 0.000 1.375 104 A CA -0.226 51.880 52.037 0.114 0.000 0.882 104 A CB 0.017 19.045 19.000 0.046 0.000 1.152 104 A HN 0.746 nan 8.150 nan 0.000 0.512 105 H N 1.872 120.960 119.070 0.031 0.000 3.087 105 H HA 0.515 5.075 4.556 0.007 0.000 0.348 105 H C 0.044 175.355 175.328 -0.029 0.000 1.092 105 H CA 0.121 56.148 56.048 -0.035 0.000 1.285 105 H CB 2.103 31.798 29.762 -0.111 0.000 1.875 105 H HN 0.494 nan 8.280 nan 0.000 0.512 106 A N 3.395 126.339 122.820 0.207 0.000 2.251 106 A HA 0.096 4.420 4.320 0.007 0.000 0.209 106 A C 0.299 177.993 177.584 0.183 0.000 1.187 106 A CA 0.174 52.301 52.037 0.149 0.000 0.823 106 A CB 0.108 19.132 19.000 0.040 0.000 0.846 106 A HN 0.592 nan 8.150 nan 0.000 0.486 107 N N 0.751 119.694 118.700 0.405 0.000 2.651 107 N HA 0.178 4.922 4.740 0.007 0.000 0.277 107 N C -3.218 172.023 175.510 -0.448 0.000 1.787 107 N CA -0.688 52.399 53.050 0.061 0.000 0.818 107 N CB 1.092 39.674 38.487 0.157 0.000 1.316 107 N HN 0.248 nan 8.380 nan 0.000 0.503 108 P HA 0.107 nan 4.420 nan 0.000 0.267 108 P C -2.512 174.475 177.300 -0.522 0.000 1.200 108 P CA -0.476 62.093 63.100 -0.885 0.000 0.772 108 P CB 0.096 31.126 31.700 -1.117 0.000 0.855 109 P HA 0.116 nan 4.420 nan 0.000 0.275 109 P C -0.231 176.961 177.300 -0.180 0.000 1.227 109 P CA -0.138 62.821 63.100 -0.235 0.000 0.781 109 P CB 0.503 32.091 31.700 -0.185 0.000 0.906 110 A N 5.154 127.914 122.820 -0.099 0.000 2.483 110 A HA 0.227 4.551 4.320 0.007 0.000 0.238 110 A C -1.252 176.269 177.584 -0.105 0.000 1.070 110 A CA -0.877 51.123 52.037 -0.062 0.000 0.770 110 A CB -0.843 18.158 19.000 0.002 0.000 1.008 110 A HN 0.489 nan 8.150 nan 0.000 0.497 111 P HA 0.069 nan 4.420 nan 0.000 0.255 111 P C 0.702 177.915 177.300 -0.144 0.000 1.357 111 P CA 0.008 62.975 63.100 -0.221 0.000 0.839 111 P CB 0.177 31.527 31.700 -0.583 0.000 1.356 112 L N 1.684 122.826 121.223 -0.135 0.000 2.191 112 L HA -0.154 4.190 4.340 0.007 0.000 0.212 112 L C 1.946 178.827 176.870 0.017 0.000 1.103 112 L CA 1.866 56.660 54.840 -0.076 0.000 0.769 112 L CB -1.284 40.603 42.059 -0.287 0.000 0.908 112 L HN 0.082 nan 8.230 nan 0.000 0.438 113 D N -1.002 119.381 120.400 -0.029 0.000 2.384 113 D HA -0.215 4.429 4.640 0.007 0.000 0.222 113 D C 1.975 178.281 176.300 0.009 0.000 0.976 113 D CA 0.713 54.724 54.000 0.018 0.000 0.915 113 D CB -0.544 40.289 40.800 0.055 0.000 0.896 113 D HN 0.332 nan 8.370 nan 0.000 0.523 114 L N -0.520 120.735 121.223 0.053 0.000 2.362 114 L HA -0.001 4.342 4.340 0.007 0.000 0.219 114 L C 2.061 178.957 176.870 0.043 0.000 1.134 114 L CA 0.565 55.432 54.840 0.046 0.000 0.807 114 L CB -0.132 41.937 42.059 0.016 0.000 0.927 114 L HN 0.089 nan 8.230 nan 0.000 0.447 115 L N -1.943 119.304 121.223 0.040 0.000 2.590 115 L HA 0.159 4.503 4.340 0.007 0.000 0.227 115 L C 0.365 177.019 176.870 -0.361 0.000 1.099 115 L CA -0.221 54.585 54.840 -0.057 0.000 0.872 115 L CB 0.063 42.121 42.059 -0.001 0.000 1.088 115 L HN 0.027 nan 8.230 nan 0.000 0.479 116 D N 1.074 121.380 120.400 -0.156 0.000 2.308 116 D HA 0.069 4.713 4.640 0.007 0.000 0.251 116 D C 0.350 176.471 176.300 -0.299 0.000 1.127 116 D CA 0.353 54.273 54.000 -0.134 0.000 0.876 116 D CB 1.340 42.212 40.800 0.119 0.000 1.176 116 D HN 0.062 nan 8.370 nan 0.000 0.446 117 E N 0.984 121.040 120.200 -0.240 0.000 2.603 117 E HA 0.342 4.696 4.350 0.007 0.000 0.211 117 E C -0.181 176.366 176.600 -0.089 0.000 0.995 117 E CA -0.408 55.893 56.400 -0.165 0.000 0.990 117 E CB 0.491 30.127 29.700 -0.107 0.000 1.036 117 E HN 0.663 nan 8.360 nan 0.000 0.475 118 G N -0.161 108.600 108.800 -0.066 0.000 3.017 118 G HA2 0.048 4.011 3.960 0.007 0.000 0.680 118 G HA3 0.048 4.011 3.960 0.007 0.000 0.680 118 G C 0.522 175.412 174.900 -0.018 0.000 1.179 118 G CA -0.328 44.753 45.100 -0.031 0.000 1.142 118 G HN 0.444 nan 8.290 nan 0.000 0.489 119 G N 0.510 109.322 108.800 0.019 0.000 2.179 119 G HA2 -0.124 3.840 3.960 0.007 0.000 0.257 119 G HA3 -0.124 3.840 3.960 0.007 0.000 0.257 119 G C 1.536 176.432 174.900 -0.007 0.000 1.010 119 G CA 1.139 46.250 45.100 0.018 0.000 0.736 119 G HN 1.860 nan 8.290 nan 0.000 0.513 120 S N -0.747 114.952 115.700 -0.001 0.000 2.428 120 S HA 0.138 4.612 4.470 0.007 0.000 0.230 120 S C 0.880 175.375 174.600 -0.176 0.000 1.014 120 S CA 0.397 58.528 58.200 -0.115 0.000 0.957 120 S CB -0.067 63.011 63.200 -0.202 0.000 0.784 120 S HN 0.396 nan 8.310 nan 0.000 0.499 121 F N 3.072 122.989 119.950 -0.056 0.000 2.619 121 F HA 0.234 4.765 4.527 0.006 0.000 0.350 121 F C 1.537 177.285 175.800 -0.086 0.000 1.259 121 F CA -0.462 57.523 58.000 -0.025 0.000 1.204 121 F CB -0.072 38.929 39.000 0.003 0.000 1.556 121 F HN 0.141 nan 8.300 nan 0.000 0.650 122 R N -0.040 120.358 120.500 -0.171 0.000 2.509 122 R HA 0.223 4.567 4.340 0.007 0.000 0.297 122 R C -0.750 175.309 176.300 -0.403 0.000 0.951 122 R CA -0.189 55.721 56.100 -0.316 0.000 1.103 122 R CB -0.038 29.980 30.300 -0.470 0.000 1.283 122 R HN 0.167 nan 8.270 nan 0.000 0.534 123 F N 1.697 121.658 119.950 0.019 0.000 2.375 123 F HA 0.435 4.966 4.527 0.007 0.000 0.362 123 F C 1.374 177.203 175.800 0.047 0.000 1.129 123 F CA -0.722 57.290 58.000 0.020 0.000 1.154 123 F CB 1.653 40.652 39.000 -0.002 0.000 1.205 123 F HN 0.076 nan 8.300 nan 0.000 0.513 124 A N 4.279 127.202 122.820 0.172 0.000 2.014 124 A HA 0.080 4.404 4.320 0.007 0.000 0.218 124 A C 1.084 178.761 177.584 0.156 0.000 1.163 124 A CA 0.763 52.881 52.037 0.134 0.000 0.652 124 A CB -0.063 18.986 19.000 0.083 0.000 0.808 124 A HN 0.675 nan 8.150 nan 0.000 0.449 125 R N -2.866 117.744 120.500 0.183 0.000 2.750 125 R HA 0.477 4.821 4.340 0.007 0.000 0.281 125 R C 0.029 176.452 176.300 0.206 0.000 0.972 125 R CA -0.732 55.475 56.100 0.179 0.000 0.912 125 R CB 0.994 31.377 30.300 0.138 0.000 1.187 125 R HN 0.198 nan 8.270 nan 0.000 0.464 126 F N 1.501 121.496 119.950 0.076 0.000 2.171 126 F HA -0.230 4.301 4.527 0.006 0.000 0.300 126 F C 2.274 178.111 175.800 0.061 0.000 1.090 126 F CA 2.260 60.297 58.000 0.062 0.000 1.293 126 F CB 0.150 39.170 39.000 0.034 0.000 1.013 126 F HN 0.625 nan 8.300 nan 0.000 0.486 127 S N -0.659 115.155 115.700 0.189 0.000 2.399 127 S HA -0.215 4.259 4.470 0.007 0.000 0.231 127 S C 1.736 176.327 174.600 -0.015 0.000 1.022 127 S CA 1.454 59.704 58.200 0.083 0.000 0.983 127 S CB -0.699 62.553 63.200 0.087 0.000 0.803 127 S HN 0.394 nan 8.310 nan 0.000 0.480 128 D N 0.440 120.857 120.400 0.029 0.000 2.178 128 D HA -0.070 4.574 4.640 0.007 0.000 0.201 128 D C 1.578 177.799 176.300 -0.131 0.000 0.980 128 D CA 1.192 55.227 54.000 0.057 0.000 0.842 128 D CB -0.471 40.472 40.800 0.238 0.000 0.948 128 D HN 0.618 nan 8.370 nan 0.000 0.472 129 Y N 1.554 121.522 120.300 -0.554 0.000 2.163 129 Y HA -0.107 4.446 4.550 0.006 0.000 0.288 129 Y C 2.150 177.632 175.900 -0.698 0.000 1.136 129 Y CA 1.222 58.635 58.100 -1.145 0.000 1.147 129 Y CB -0.478 37.229 38.460 -1.256 0.000 0.987 129 Y HN -0.119 nan 8.280 nan 0.000 0.509 130 L N 0.031 120.870 121.223 -0.640 0.000 2.083 130 L HA -0.179 4.165 4.340 0.007 0.000 0.209 130 L C 2.434 179.078 176.870 -0.378 0.000 1.083 130 L CA 1.369 55.900 54.840 -0.517 0.000 0.752 130 L CB -0.580 41.351 42.059 -0.213 0.000 0.899 130 L HN 0.226 nan 8.230 nan 0.000 0.433 131 E N 0.350 120.392 120.200 -0.263 0.000 2.106 131 E HA -0.172 4.182 4.350 0.007 0.000 0.192 131 E C 2.294 178.779 176.600 -0.191 0.000 0.984 131 E CA 1.303 57.601 56.400 -0.169 0.000 0.806 131 E CB -0.114 29.535 29.700 -0.085 0.000 0.750 131 E HN 0.459 nan 8.360 nan 0.000 0.458 132 A N 1.132 123.800 122.820 -0.254 0.000 1.902 132 A HA -0.121 4.203 4.320 0.007 0.000 0.217 132 A C 2.370 179.791 177.584 -0.271 0.000 1.181 132 A CA 0.948 52.864 52.037 -0.202 0.000 0.623 132 A CB -0.636 18.270 19.000 -0.156 0.000 0.818 132 A HN 0.174 nan 8.150 nan 0.000 0.443 133 L N -1.116 119.850 121.223 -0.427 0.000 2.046 133 L HA -0.180 4.164 4.340 0.007 0.000 0.208 133 L C 2.862 179.589 176.870 -0.239 0.000 1.077 133 L CA 1.403 56.019 54.840 -0.374 0.000 0.747 133 L CB -0.465 41.294 42.059 -0.498 0.000 0.896 133 L HN 0.367 nan 8.230 nan 0.000 0.432 134 R N -0.136 120.236 120.500 -0.213 0.000 2.092 134 R HA -0.084 4.260 4.340 0.007 0.000 0.231 134 R C 2.380 178.616 176.300 -0.107 0.000 1.119 134 R CA 1.194 57.211 56.100 -0.139 0.000 0.970 134 R CB -0.388 29.842 30.300 -0.117 0.000 0.864 134 R HN 0.326 nan 8.270 nan 0.000 0.440 135 A N 0.901 123.655 122.820 -0.111 0.000 1.968 135 A HA 0.122 4.446 4.320 0.007 0.000 0.217 135 A C 1.255 178.787 177.584 -0.086 0.000 1.169 135 A CA 1.323 53.311 52.037 -0.082 0.000 0.638 135 A CB 0.168 19.124 19.000 -0.072 0.000 0.812 135 A HN 0.291 nan 8.150 nan 0.000 0.446 136 A N 0.435 123.184 122.820 -0.118 0.000 3.216 136 A HA 0.568 4.892 4.320 0.007 0.000 0.321 136 A C -2.847 174.635 177.584 -0.169 0.000 1.042 136 A CA -1.396 50.555 52.037 -0.143 0.000 0.838 136 A CB 0.311 19.218 19.000 -0.154 0.000 1.136 136 A HN 0.213 nan 8.150 nan 0.000 0.483 137 P HA 0.187 nan 4.420 nan 0.000 0.266 137 P C -2.731 174.518 177.300 -0.085 0.000 1.195 137 P CA -0.467 62.577 63.100 -0.094 0.000 0.768 137 P CB 0.667 32.348 31.700 -0.032 0.000 0.838 138 P HA 0.133 nan 4.420 nan 0.000 0.282 138 P C 0.320 177.664 177.300 0.073 0.000 1.287 138 P CA -0.345 62.735 63.100 -0.034 0.000 0.792 138 P CB 0.612 32.264 31.700 -0.080 0.000 1.163 139 A N 0.086 122.948 122.820 0.069 0.000 2.119 139 A HA 0.139 4.463 4.320 0.007 0.000 0.216 139 A C 1.130 178.727 177.584 0.022 0.000 1.152 139 A CA 1.088 53.174 52.037 0.082 0.000 0.708 139 A CB -0.965 18.008 19.000 -0.044 0.000 0.805 139 A HN 0.480 nan 8.150 nan 0.000 0.460 140 V N -3.114 116.781 119.914 -0.032 0.000 3.019 140 V HA 0.496 4.620 4.120 0.007 0.000 0.317 140 V C -0.642 175.411 176.094 -0.068 0.000 1.094 140 V CA -1.664 60.601 62.300 -0.059 0.000 1.000 140 V CB 1.232 32.998 31.823 -0.095 0.000 1.060 140 V HN 0.221 nan 8.190 nan 0.000 0.443 141 N N 1.250 119.900 118.700 -0.083 0.000 2.444 141 N HA 0.595 5.339 4.740 0.007 0.000 0.255 141 N C -0.255 175.193 175.510 -0.102 0.000 1.255 141 N CA 0.345 53.336 53.050 -0.099 0.000 0.933 141 N CB 1.566 39.983 38.487 -0.116 0.000 1.143 141 N HN 1.196 nan 8.380 nan 0.000 0.453 142 A N 0.153 122.912 122.820 -0.101 0.000 2.343 142 A HA 0.696 5.020 4.320 0.007 0.000 0.308 142 A C -0.832 176.708 177.584 -0.073 0.000 1.092 142 A CA -0.753 51.230 52.037 -0.090 0.000 0.751 142 A CB 0.986 19.933 19.000 -0.088 0.000 1.203 142 A HN 0.637 nan 8.150 nan 0.000 0.452 143 A N 1.721 124.494 122.820 -0.078 0.000 2.267 143 A HA 0.582 4.906 4.320 0.007 0.000 0.315 143 A C -0.350 177.222 177.584 -0.021 0.000 1.297 143 A CA -0.337 51.668 52.037 -0.053 0.000 0.865 143 A CB -0.132 18.806 19.000 -0.103 0.000 1.165 143 A HN 0.966 nan 8.150 nan 0.000 0.513 144 C N 3.380 122.724 119.300 0.074 0.000 2.329 144 C HA 0.708 5.172 4.460 0.007 0.000 0.329 144 C C 0.450 175.557 174.990 0.196 0.000 1.275 144 C CA -0.552 58.571 59.018 0.175 0.000 1.726 144 C CB 0.073 28.019 27.740 0.343 0.000 2.291 144 C HN 0.853 nan 8.230 nan 0.000 0.514 145 M N 2.099 121.784 119.600 0.142 0.000 2.598 145 M HA 0.540 5.024 4.480 0.007 0.000 0.317 145 M C -0.327 176.008 176.300 0.057 0.000 1.201 145 M CA -0.574 54.757 55.300 0.051 0.000 0.971 145 M CB 1.806 34.423 32.600 0.029 0.000 1.657 145 M HN 0.506 nan 8.290 nan 0.000 0.470 146 V N 1.018 120.845 119.914 -0.144 0.000 2.532 146 V HA 0.800 4.924 4.120 0.007 0.000 0.295 146 V C -0.132 175.969 176.094 0.010 0.000 1.041 146 V CA -0.215 62.011 62.300 -0.122 0.000 0.926 146 V CB 1.671 33.231 31.823 -0.439 0.000 0.992 146 V HN 0.922 nan 8.190 nan 0.000 0.457 147 G N 3.279 112.127 108.800 0.081 0.000 2.343 147 G HA2 0.262 4.226 3.960 0.007 0.000 0.319 147 G HA3 0.262 4.226 3.960 0.007 0.000 0.319 147 G C 0.561 175.538 174.900 0.128 0.000 1.126 147 G CA -0.060 45.104 45.100 0.108 0.000 0.889 147 G HN 1.028 nan 8.290 nan 0.000 0.457 148 H N 1.849 120.958 119.070 0.065 0.000 2.387 148 H HA -0.116 4.444 4.556 0.007 0.000 0.299 148 H C 1.943 177.315 175.328 0.073 0.000 1.099 148 H CA 1.829 57.921 56.048 0.073 0.000 1.315 148 H CB 0.316 30.135 29.762 0.095 0.000 1.380 148 H HN 0.457 nan 8.280 nan 0.000 0.513 149 S N -0.298 115.352 115.700 -0.084 0.000 2.383 149 S HA -0.097 4.377 4.470 0.007 0.000 0.227 149 S C 2.125 176.664 174.600 -0.101 0.000 1.026 149 S CA 1.360 59.473 58.200 -0.145 0.000 0.981 149 S CB -0.179 63.009 63.200 -0.020 0.000 0.818 149 S HN 0.510 nan 8.310 nan 0.000 0.472 150 T N 2.943 117.487 114.554 -0.017 0.000 2.746 150 T HA 0.055 4.409 4.350 0.007 0.000 0.267 150 T C 1.713 176.419 174.700 0.010 0.000 1.039 150 T CA 0.892 63.006 62.100 0.022 0.000 1.142 150 T CB -0.368 68.569 68.868 0.114 0.000 0.866 150 T HN 0.269 nan 8.240 nan 0.000 0.444 151 L N 0.272 121.495 121.223 0.001 0.000 2.093 151 L HA -0.052 4.292 4.340 0.007 0.000 0.208 151 L C 2.905 179.754 176.870 -0.036 0.000 1.085 151 L CA 1.297 56.142 54.840 0.010 0.000 0.755 151 L CB -0.495 41.591 42.059 0.045 0.000 0.904 151 L HN 0.144 nan 8.230 nan 0.000 0.435 152 R N 0.044 120.463 120.500 -0.134 0.000 2.081 152 R HA -0.133 4.211 4.340 0.007 0.000 0.235 152 R C 2.443 178.704 176.300 -0.065 0.000 1.131 152 R CA 1.386 57.411 56.100 -0.125 0.000 0.960 152 R CB -0.454 29.715 30.300 -0.217 0.000 0.856 152 R HN 0.352 nan 8.270 nan 0.000 0.436 153 A N 0.933 123.711 122.820 -0.071 0.000 1.972 153 A HA -0.088 4.236 4.320 0.007 0.000 0.219 153 A C 2.260 179.846 177.584 0.002 0.000 1.169 153 A CA 1.651 53.656 52.037 -0.054 0.000 0.635 153 A CB -0.425 18.507 19.000 -0.113 0.000 0.810 153 A HN 0.410 nan 8.150 nan 0.000 0.446 154 A N -1.146 121.684 122.820 0.016 0.000 2.016 154 A HA 0.211 4.534 4.320 0.007 0.000 0.217 154 A C 2.013 179.618 177.584 0.035 0.000 1.162 154 A CA 1.643 53.707 52.037 0.045 0.000 0.662 154 A CB -0.258 18.780 19.000 0.063 0.000 0.812 154 A HN 0.359 nan 8.150 nan 0.000 0.450 155 V N -0.732 119.195 119.914 0.022 0.000 2.908 155 V HA 0.151 4.275 4.120 0.007 0.000 0.240 155 V C 0.916 177.019 176.094 0.014 0.000 1.117 155 V CA 0.528 62.840 62.300 0.021 0.000 1.133 155 V CB -0.239 31.600 31.823 0.026 0.000 0.857 155 V HN 0.460 nan 8.190 nan 0.000 0.478 156 M N 1.223 120.826 119.600 0.005 0.000 2.120 156 M HA 0.256 4.740 4.480 0.007 0.000 0.354 156 M C -1.635 174.664 176.300 -0.001 0.000 1.287 156 M CA -1.347 53.954 55.300 0.001 0.000 1.103 156 M CB 1.331 33.927 32.600 -0.006 0.000 1.623 156 M HN -0.032 nan 8.290 nan 0.000 0.471 157 P HA -0.077 nan 4.420 nan 0.000 0.217 157 P C -0.359 176.934 177.300 -0.011 0.000 1.151 157 P CA 1.288 64.386 63.100 -0.003 0.000 0.828 157 P CB 0.191 31.888 31.700 -0.006 0.000 0.788 158 D N -1.180 119.208 120.400 -0.020 0.000 2.549 158 D HA 0.175 4.819 4.640 0.007 0.000 0.251 158 D C 0.523 176.795 176.300 -0.046 0.000 1.153 158 D CA -0.373 53.605 54.000 -0.037 0.000 0.861 158 D CB 0.841 41.614 40.800 -0.045 0.000 1.207 158 D HN -0.168 nan 8.370 nan 0.000 0.543 159 L N 2.745 123.938 121.223 -0.051 0.000 2.509 159 L HA 0.223 4.567 4.340 0.007 0.000 0.222 159 L C 1.454 178.275 176.870 -0.082 0.000 1.123 159 L CA 0.215 55.029 54.840 -0.044 0.000 0.856 159 L CB 0.011 42.053 42.059 -0.030 0.000 0.985 159 L HN 0.172 nan 8.230 nan 0.000 0.456 160 R N 1.775 122.163 120.500 -0.186 0.000 4.464 160 R HA 0.157 4.501 4.340 0.007 0.000 0.229 160 R C -0.299 175.555 176.300 -0.744 0.000 1.916 160 R CA -0.017 55.773 56.100 -0.516 0.000 1.601 160 R CB -0.313 29.770 30.300 -0.361 0.000 1.315 160 R HN 0.383 nan 8.270 nan 0.000 0.725 161 R N -1.847 118.426 120.500 -0.377 0.000 2.774 161 R HA 0.165 4.509 4.340 0.007 0.000 0.279 161 R C -1.416 174.902 176.300 0.031 0.000 1.022 161 R CA -1.115 54.895 56.100 -0.151 0.000 0.855 161 R CB 0.663 30.900 30.300 -0.106 0.000 1.279 161 R HN 0.080 nan 8.270 nan 0.000 0.485 162 E N 1.173 121.414 120.200 0.068 0.000 2.383 162 E HA 0.433 4.787 4.350 0.007 0.000 0.264 162 E C -0.521 176.111 176.600 0.054 0.000 1.050 162 E CA -0.310 56.138 56.400 0.080 0.000 0.896 162 E CB 1.101 30.843 29.700 0.071 0.000 0.982 162 E HN 0.631 nan 8.360 nan 0.000 0.424 163 A N 3.110 125.970 122.820 0.067 0.000 2.371 163 A HA 0.278 4.602 4.320 0.007 0.000 0.257 163 A C 0.381 177.991 177.584 0.043 0.000 1.089 163 A CA -0.009 52.061 52.037 0.055 0.000 0.794 163 A CB 0.312 19.358 19.000 0.077 0.000 1.029 163 A HN 0.778 nan 8.150 nan 0.000 0.488 164 T N -0.850 113.723 114.554 0.032 0.000 2.788 164 T HA 0.485 4.839 4.350 0.007 0.000 0.287 164 T C 1.390 176.108 174.700 0.030 0.000 1.007 164 T CA -0.014 62.102 62.100 0.026 0.000 1.005 164 T CB 0.947 69.826 68.868 0.019 0.000 1.012 164 T HN 1.212 nan 8.240 nan 0.000 0.530 165 A N 0.373 123.208 122.820 0.025 0.000 1.908 165 A HA -0.108 4.215 4.320 0.007 0.000 0.218 165 A C 2.148 179.748 177.584 0.027 0.000 1.181 165 A CA 1.715 53.767 52.037 0.025 0.000 0.627 165 A CB -1.094 17.917 19.000 0.020 0.000 0.818 165 A HN 0.960 nan 8.150 nan 0.000 0.445 166 D N -0.507 119.907 120.400 0.024 0.000 2.117 166 D HA -0.138 4.506 4.640 0.007 0.000 0.197 166 D C 1.953 178.271 176.300 0.029 0.000 0.987 166 D CA 1.510 55.525 54.000 0.024 0.000 0.829 166 D CB -0.149 40.663 40.800 0.019 0.000 0.961 166 D HN 0.660 nan 8.370 nan 0.000 0.460 167 E N 0.181 120.399 120.200 0.031 0.000 2.106 167 E HA -0.098 4.256 4.350 0.007 0.000 0.192 167 E C 2.402 179.032 176.600 0.049 0.000 0.984 167 E CA 0.351 56.773 56.400 0.036 0.000 0.806 167 E CB 0.087 29.808 29.700 0.034 0.000 0.750 167 E HN 0.318 nan 8.360 nan 0.000 0.458 168 I N 1.212 121.813 120.570 0.052 0.000 2.226 168 I HA -0.325 3.849 4.170 0.007 0.000 0.245 168 I C 2.450 178.600 176.117 0.054 0.000 1.100 168 I CA 1.337 62.674 61.300 0.062 0.000 1.374 168 I CB -0.211 37.821 38.000 0.053 0.000 1.057 168 I HN 0.134 nan 8.210 nan 0.000 0.413 169 Q N 0.381 120.207 119.800 0.043 0.000 2.084 169 Q HA -0.193 4.151 4.340 0.007 0.000 0.202 169 Q C 2.431 178.456 176.000 0.041 0.000 0.978 169 Q CA 1.823 57.649 55.803 0.039 0.000 0.844 169 Q CB -0.266 28.491 28.738 0.031 0.000 0.898 169 Q HN 0.586 nan 8.270 nan 0.000 0.426 170 A N 0.530 123.374 122.820 0.041 0.000 1.898 170 A HA -0.170 4.154 4.320 0.007 0.000 0.216 170 A C 2.033 179.646 177.584 0.049 0.000 1.181 170 A CA 1.298 53.360 52.037 0.041 0.000 0.620 170 A CB -0.429 18.593 19.000 0.037 0.000 0.819 170 A HN 0.288 nan 8.150 nan 0.000 0.442 171 M N -1.051 118.584 119.600 0.058 0.000 2.132 171 M HA -0.166 4.317 4.480 0.007 0.000 0.263 171 M C 2.495 178.837 176.300 0.070 0.000 1.065 171 M CA 1.631 56.974 55.300 0.071 0.000 1.122 171 M CB -0.363 32.298 32.600 0.101 0.000 1.365 171 M HN 0.549 nan 8.290 nan 0.000 0.411 172 Q N 0.873 120.712 119.800 0.065 0.000 2.124 172 Q HA -0.167 4.177 4.340 0.007 0.000 0.202 172 Q C 1.942 177.970 176.000 0.046 0.000 0.977 172 Q CA 2.043 57.880 55.803 0.057 0.000 0.850 172 Q CB -0.155 28.614 28.738 0.051 0.000 0.901 172 Q HN 0.524 nan 8.270 nan 0.000 0.429 173 A N 0.940 123.787 122.820 0.045 0.000 1.902 173 A HA -0.135 4.189 4.320 0.007 0.000 0.217 173 A C 2.283 179.887 177.584 0.034 0.000 1.181 173 A CA 1.242 53.303 52.037 0.041 0.000 0.623 173 A CB -0.677 18.347 19.000 0.040 0.000 0.818 173 A HN 0.421 nan 8.150 nan 0.000 0.443 174 L N -0.951 120.295 121.223 0.038 0.000 2.056 174 L HA -0.163 4.181 4.340 0.007 0.000 0.207 174 L C 3.096 179.964 176.870 -0.003 0.000 1.078 174 L CA 0.998 55.859 54.840 0.036 0.000 0.749 174 L CB -0.527 41.564 42.059 0.054 0.000 0.901 174 L HN 0.441 nan 8.230 nan 0.000 0.433 175 A N -0.074 122.744 122.820 -0.005 0.000 1.898 175 A HA -0.288 4.036 4.320 0.007 0.000 0.216 175 A C 1.947 179.482 177.584 -0.081 0.000 1.181 175 A CA 2.108 54.116 52.037 -0.049 0.000 0.620 175 A CB -0.645 18.359 19.000 0.006 0.000 0.819 175 A HN 0.461 nan 8.150 nan 0.000 0.442 176 D N -0.462 119.920 120.400 -0.029 0.000 2.117 176 D HA -0.153 4.491 4.640 0.007 0.000 0.197 176 D C 1.251 177.470 176.300 -0.135 0.000 0.987 176 D CA 1.453 55.430 54.000 -0.038 0.000 0.829 176 D CB -0.077 40.759 40.800 0.061 0.000 0.961 176 D HN 0.337 nan 8.370 nan 0.000 0.460 177 D N -0.224 120.136 120.400 -0.066 0.000 2.144 177 D HA -0.109 4.535 4.640 0.007 0.000 0.199 177 D C 2.001 178.247 176.300 -0.090 0.000 0.984 177 D CA 1.266 55.235 54.000 -0.052 0.000 0.834 177 D CB -0.498 40.311 40.800 0.015 0.000 0.955 177 D HN 0.321 nan 8.370 nan 0.000 0.465 178 A N 0.631 123.362 122.820 -0.149 0.000 1.877 178 A HA -0.126 4.198 4.320 0.007 0.000 0.216 178 A C 2.391 179.786 177.584 -0.316 0.000 1.186 178 A CA 0.959 52.811 52.037 -0.309 0.000 0.620 178 A CB -0.811 17.744 19.000 -0.742 0.000 0.822 178 A HN 0.211 nan 8.150 nan 0.000 0.443 179 L N -0.772 120.251 121.223 -0.334 0.000 2.046 179 L HA -0.203 4.141 4.340 0.007 0.000 0.208 179 L C 3.089 179.729 176.870 -0.384 0.000 1.077 179 L CA 1.092 55.734 54.840 -0.330 0.000 0.747 179 L CB -0.614 41.246 42.059 -0.331 0.000 0.896 179 L HN 0.443 nan 8.230 nan 0.000 0.432 180 A N -0.667 121.835 122.820 -0.531 0.000 1.972 180 A HA -0.177 4.147 4.320 0.007 0.000 0.219 180 A C 2.438 179.968 177.584 -0.090 0.000 1.169 180 A CA 2.029 53.867 52.037 -0.330 0.000 0.635 180 A CB -0.501 18.380 19.000 -0.199 0.000 0.810 180 A HN 0.392 nan 8.150 nan 0.000 0.446 181 S N -1.998 113.673 115.700 -0.048 0.000 2.489 181 S HA 0.303 4.777 4.470 0.007 0.000 0.228 181 S C 1.390 176.031 174.600 0.069 0.000 0.995 181 S CA 1.041 59.269 58.200 0.046 0.000 0.934 181 S CB 0.181 63.462 63.200 0.134 0.000 0.771 181 S HN 1.466 nan 8.310 nan 0.000 0.522 182 G N 0.346 109.170 108.800 0.041 0.000 2.370 182 G HA2 0.041 4.005 3.960 0.007 0.000 0.174 182 G HA3 0.041 4.005 3.960 0.007 0.000 0.174 182 G C 0.103 175.052 174.900 0.081 0.000 1.002 182 G CA -0.304 44.833 45.100 0.062 0.000 0.730 182 G HN 0.678 nan 8.290 nan 0.000 0.497 183 A N 0.664 123.506 122.820 0.036 0.000 2.483 183 A HA 0.593 4.917 4.320 0.007 0.000 0.238 183 A C 1.478 179.053 177.584 -0.014 0.000 1.070 183 A CA 0.593 52.616 52.037 -0.023 0.000 0.770 183 A CB -0.039 18.703 19.000 -0.430 0.000 1.008 183 A HN 1.395 nan 8.150 nan 0.000 0.497 184 I N -0.628 119.961 120.570 0.032 0.000 3.883 184 I HA 0.557 4.731 4.170 0.007 0.000 0.326 184 I C 0.671 176.832 176.117 0.074 0.000 1.283 184 I CA 0.417 61.756 61.300 0.065 0.000 1.161 184 I CB -0.156 37.906 38.000 0.104 0.000 1.012 184 I HN 0.714 nan 8.210 nan 0.000 0.421 185 G N 1.016 109.834 108.800 0.031 0.000 2.320 185 G HA2 0.508 4.472 3.960 0.007 0.000 0.296 185 G HA3 0.508 4.472 3.960 0.007 0.000 0.296 185 G C -1.774 173.124 174.900 -0.003 0.000 1.306 185 G CA -0.796 44.329 45.100 0.043 0.000 0.836 185 G HN 0.088 nan 8.290 nan 0.000 0.517 186 I N 0.520 121.103 120.570 0.022 0.000 2.545 186 I HA 0.564 4.738 4.170 0.007 0.000 0.292 186 I C -0.096 176.002 176.117 -0.032 0.000 1.040 186 I CA -0.689 60.617 61.300 0.011 0.000 1.068 186 I CB 2.385 40.424 38.000 0.065 0.000 1.251 186 I HN 0.398 nan 8.210 nan 0.000 0.424 187 S N 2.389 118.076 115.700 -0.021 0.000 2.607 187 S HA 0.790 5.264 4.470 0.007 0.000 0.303 187 S C -0.303 174.303 174.600 0.009 0.000 1.086 187 S CA -0.653 57.498 58.200 -0.081 0.000 0.995 187 S CB 2.177 65.375 63.200 -0.003 0.000 1.084 187 S HN 0.759 nan 8.310 nan 0.000 0.507 188 T N -2.058 112.479 114.554 -0.028 0.000 2.901 188 T HA 0.819 5.173 4.350 0.007 0.000 0.293 188 T C -0.242 174.585 174.700 0.212 0.000 1.084 188 T CA -0.903 61.286 62.100 0.149 0.000 1.008 188 T CB 1.837 70.789 68.868 0.141 0.000 1.170 188 T HN 0.802 nan 8.240 nan 0.000 0.509 189 G N -0.379 108.592 108.800 0.285 0.000 4.101 189 G HA2 0.561 4.525 3.960 0.007 0.000 0.262 189 G HA3 0.561 4.525 3.960 0.007 0.000 0.262 189 G C 0.620 175.673 174.900 0.256 0.000 1.181 189 G CA -0.009 45.275 45.100 0.307 0.000 0.640 189 G HN 1.072 nan 8.290 nan 0.000 0.467 190 A N 0.546 123.495 122.820 0.214 0.000 2.216 190 A HA 0.115 4.439 4.320 0.007 0.000 0.214 190 A C 1.669 179.303 177.584 0.083 0.000 1.160 190 A CA 1.054 53.186 52.037 0.160 0.000 0.725 190 A CB -0.351 18.733 19.000 0.141 0.000 0.784 190 A HN 0.918 nan 8.150 nan 0.000 0.472 191 F N -0.419 119.446 119.950 -0.142 0.000 2.234 191 F HA 0.029 4.561 4.527 0.008 0.000 0.299 191 F C 0.396 175.974 175.800 -0.369 0.000 1.087 191 F CA 0.257 58.074 58.000 -0.305 0.000 1.340 191 F CB -0.222 38.455 39.000 -0.537 0.000 1.031 191 F HN 0.235 nan 8.300 nan 0.000 0.500 192 Y N 0.877 121.094 120.300 -0.137 0.000 2.301 192 Y HA 0.255 4.809 4.550 0.007 0.000 0.328 192 Y C -1.022 174.789 175.900 -0.148 0.000 1.242 192 Y CA -2.595 55.386 58.100 -0.198 0.000 1.323 192 Y CB -0.531 37.897 38.460 -0.054 0.000 1.266 192 Y HN -0.188 nan 8.280 nan 0.000 0.527 193 P HA -0.175 nan 4.420 nan 0.000 0.216 193 P C -1.316 176.014 177.300 0.050 0.000 1.157 193 P CA 2.087 65.198 63.100 0.018 0.000 0.880 193 P CB -0.789 30.914 31.700 0.006 0.000 0.791 194 P HA -0.082 nan 4.420 nan 0.000 0.221 194 P C 0.751 178.072 177.300 0.035 0.000 1.145 194 P CA 1.786 64.893 63.100 0.012 0.000 0.795 194 P CB -0.406 31.275 31.700 -0.032 0.000 0.775 195 A N -1.615 121.253 122.820 0.079 0.000 2.545 195 A HA 0.585 4.909 4.320 0.007 0.000 0.263 195 A C 1.821 179.477 177.584 0.119 0.000 1.202 195 A CA 0.448 52.559 52.037 0.124 0.000 0.959 195 A CB -0.469 18.648 19.000 0.196 0.000 1.124 195 A HN 0.080 nan 8.150 nan 0.000 0.543 196 A N -0.517 122.337 122.820 0.057 0.000 2.019 196 A HA -0.146 4.178 4.320 0.007 0.000 0.219 196 A C 1.686 179.191 177.584 -0.131 0.000 1.164 196 A CA 1.399 53.400 52.037 -0.060 0.000 0.644 196 A CB -0.748 18.162 19.000 -0.150 0.000 0.805 196 A HN 0.635 nan 8.150 nan 0.000 0.449 197 H N -0.692 118.393 119.070 0.026 0.000 2.539 197 H HA 0.356 4.916 4.556 0.007 0.000 0.269 197 H C 0.921 176.278 175.328 0.049 0.000 0.980 197 H CA 0.403 56.466 56.048 0.026 0.000 1.152 197 H CB -0.115 29.657 29.762 0.015 0.000 1.407 197 H HN 0.499 nan 8.280 nan 0.000 0.564 198 A N 2.017 124.934 122.820 0.161 0.000 2.450 198 A HA 0.258 4.581 4.320 0.007 0.000 0.255 198 A C 0.834 178.476 177.584 0.097 0.000 1.096 198 A CA -0.225 51.912 52.037 0.166 0.000 0.778 198 A CB 0.179 19.349 19.000 0.284 0.000 1.031 198 A HN 0.363 nan 8.150 nan 0.000 0.494 199 S N 2.006 117.751 115.700 0.075 0.000 2.632 199 S HA 0.290 4.764 4.470 0.007 0.000 0.267 199 S C 1.090 175.700 174.600 0.018 0.000 1.276 199 S CA 0.208 58.431 58.200 0.038 0.000 0.998 199 S CB 0.702 63.922 63.200 0.033 0.000 0.953 199 S HN 0.638 nan 8.310 nan 0.000 0.547 200 T N 0.880 115.435 114.554 0.000 0.000 2.788 200 T HA -0.112 4.242 4.350 0.007 0.000 0.268 200 T C 1.720 176.401 174.700 -0.031 0.000 1.044 200 T CA 1.850 63.938 62.100 -0.021 0.000 1.139 200 T CB -0.550 68.303 68.868 -0.025 0.000 0.867 200 T HN 0.861 nan 8.240 nan 0.000 0.454 201 E N 1.789 121.981 120.200 -0.015 0.000 2.077 201 E HA -0.182 4.172 4.350 0.007 0.000 0.193 201 E C 2.104 178.699 176.600 -0.009 0.000 0.989 201 E CA 1.698 58.091 56.400 -0.013 0.000 0.800 201 E CB -0.301 29.399 29.700 -0.000 0.000 0.746 201 E HN 0.644 nan 8.360 nan 0.000 0.452 202 E N 0.076 120.281 120.200 0.009 0.000 2.051 202 E HA -0.200 4.154 4.350 0.007 0.000 0.192 202 E C 2.208 178.795 176.600 -0.021 0.000 0.991 202 E CA 1.595 58.011 56.400 0.028 0.000 0.799 202 E CB -0.257 29.491 29.700 0.081 0.000 0.748 202 E HN 0.451 nan 8.360 nan 0.000 0.449 203 I N 0.862 121.380 120.570 -0.087 0.000 2.163 203 I HA -0.299 3.875 4.170 0.007 0.000 0.243 203 I C 2.486 178.540 176.117 -0.106 0.000 1.085 203 I CA 1.063 62.253 61.300 -0.184 0.000 1.347 203 I CB -0.229 37.678 38.000 -0.155 0.000 1.044 203 I HN 0.224 nan 8.210 nan 0.000 0.408 204 I N 0.344 120.857 120.570 -0.095 0.000 2.179 204 I HA -0.266 3.908 4.170 0.007 0.000 0.242 204 I C 2.515 178.605 176.117 -0.044 0.000 1.088 204 I CA 1.274 62.518 61.300 -0.093 0.000 1.357 204 I CB -0.399 37.550 38.000 -0.085 0.000 1.051 204 I HN 0.232 nan 8.210 nan 0.000 0.409 205 E N 0.371 120.558 120.200 -0.021 0.000 2.107 205 E HA -0.112 4.242 4.350 0.007 0.000 0.191 205 E C 2.422 179.034 176.600 0.020 0.000 0.982 205 E CA 0.944 57.345 56.400 0.002 0.000 0.809 205 E CB -0.366 29.341 29.700 0.012 0.000 0.756 205 E HN 0.323 nan 8.360 nan 0.000 0.459 206 V N 0.581 120.512 119.914 0.027 0.000 2.515 206 V HA -0.213 3.911 4.120 0.007 0.000 0.250 206 V C 2.079 178.206 176.094 0.056 0.000 1.058 206 V CA 1.304 63.640 62.300 0.060 0.000 1.064 206 V CB -0.357 31.529 31.823 0.105 0.000 0.675 206 V HN 0.280 nan 8.190 nan 0.000 0.461 207 C N -0.215 119.109 119.300 0.040 0.000 2.697 207 C HA 0.145 4.609 4.460 0.007 0.000 0.267 207 C C 2.509 177.526 174.990 0.044 0.000 1.278 207 C CA -0.583 58.471 59.018 0.061 0.000 1.708 207 C CB -1.277 26.519 27.740 0.093 0.000 1.860 207 C HN 0.443 nan 8.230 nan 0.000 0.589 208 R N 2.134 122.651 120.500 0.030 0.000 2.139 208 R HA -0.121 4.223 4.340 0.007 0.000 0.243 208 R C -0.519 175.810 176.300 0.047 0.000 1.145 208 R CA 1.401 57.517 56.100 0.026 0.000 0.976 208 R CB -2.037 28.275 30.300 0.020 0.000 0.866 208 R HN 0.392 nan 8.270 nan 0.000 0.449 209 P HA -0.073 nan 4.420 nan 0.000 0.223 209 P C 1.275 178.662 177.300 0.145 0.000 1.144 209 P CA 0.829 64.009 63.100 0.134 0.000 0.783 209 P CB -0.117 31.670 31.700 0.146 0.000 0.771 210 L N -1.216 120.065 121.223 0.097 0.000 2.046 210 L HA -0.162 4.182 4.340 0.007 0.000 0.208 210 L C 2.337 179.248 176.870 0.069 0.000 1.077 210 L CA 1.358 56.254 54.840 0.093 0.000 0.747 210 L CB -0.661 41.451 42.059 0.088 0.000 0.896 210 L HN -0.024 nan 8.230 nan 0.000 0.432 211 I N -0.652 119.941 120.570 0.039 0.000 2.493 211 I HA -0.252 3.922 4.170 0.007 0.000 0.254 211 I C 2.217 178.328 176.117 -0.010 0.000 1.160 211 I CA 1.160 62.469 61.300 0.014 0.000 1.445 211 I CB 0.082 38.083 38.000 0.002 0.000 1.086 211 I HN 0.283 nan 8.210 nan 0.000 0.433 212 T N -0.794 113.742 114.554 -0.029 0.000 2.809 212 T HA -0.100 4.254 4.350 0.007 0.000 0.260 212 T C 1.630 176.191 174.700 -0.232 0.000 1.039 212 T CA 1.043 63.058 62.100 -0.142 0.000 1.141 212 T CB -0.244 68.498 68.868 -0.210 0.000 0.869 212 T HN 0.401 nan 8.240 nan 0.000 0.437 213 H N 0.127 119.203 119.070 0.011 0.000 2.575 213 H HA 0.323 4.883 4.556 0.006 0.000 0.267 213 H C 1.637 176.974 175.328 0.015 0.000 0.966 213 H CA 0.525 56.580 56.048 0.011 0.000 1.165 213 H CB 0.183 29.950 29.762 0.007 0.000 1.433 213 H HN 0.516 nan 8.280 nan 0.000 0.544 214 G N 1.220 110.079 108.800 0.098 0.000 2.289 214 G HA2 -0.195 3.769 3.960 0.007 0.000 0.280 214 G HA3 -0.195 3.769 3.960 0.007 0.000 0.280 214 G C 0.566 175.510 174.900 0.074 0.000 1.089 214 G CA 0.294 45.435 45.100 0.069 0.000 0.939 214 G HN 0.696 nan 8.290 nan 0.000 0.499 215 G N -1.776 107.072 108.800 0.081 0.000 2.753 215 G HA2 0.952 4.916 3.960 0.007 0.000 0.285 215 G HA3 0.952 4.916 3.960 0.007 0.000 0.285 215 G C 0.274 175.217 174.900 0.072 0.000 1.344 215 G CA 0.125 45.271 45.100 0.076 0.000 1.050 215 G HN 1.594 nan 8.290 nan 0.000 0.532 216 V N -2.580 117.380 119.914 0.077 0.000 2.850 216 V HA 0.707 4.830 4.120 0.007 0.000 0.315 216 V C -0.914 175.250 176.094 0.118 0.000 1.064 216 V CA -1.281 61.060 62.300 0.068 0.000 0.979 216 V CB 1.559 33.377 31.823 -0.008 0.000 1.039 216 V HN 0.683 nan 8.190 nan 0.000 0.452 217 Y N 2.673 122.983 120.300 0.016 0.000 2.342 217 Y HA 0.782 5.335 4.550 0.006 0.000 0.338 217 Y C 0.080 176.004 175.900 0.040 0.000 0.965 217 Y CA -0.376 57.741 58.100 0.029 0.000 1.159 217 Y CB 0.632 39.102 38.460 0.018 0.000 1.157 217 Y HN 1.122 nan 8.280 nan 0.000 0.486 218 A N 4.559 127.113 122.820 -0.444 0.000 2.337 218 A HA 0.748 5.072 4.320 0.007 0.000 0.329 218 A C -0.679 176.626 177.584 -0.465 0.000 1.146 218 A CA -0.513 51.353 52.037 -0.285 0.000 0.800 218 A CB 1.429 20.410 19.000 -0.031 0.000 1.220 218 A HN 0.707 nan 8.150 nan 0.000 0.472 219 T N 0.038 114.448 114.554 -0.241 0.000 2.993 219 T HA 0.428 4.782 4.350 0.007 0.000 0.312 219 T C -1.312 173.396 174.700 0.014 0.000 1.115 219 T CA -0.385 61.638 62.100 -0.129 0.000 1.027 219 T CB 0.785 69.603 68.868 -0.084 0.000 1.116 219 T HN 0.808 nan 8.240 nan 0.000 0.464 220 H N 5.527 124.614 119.070 0.029 0.000 2.690 220 H HA 0.537 5.098 4.556 0.008 0.000 0.289 220 H C 0.699 176.083 175.328 0.092 0.000 1.089 220 H CA -0.880 55.216 56.048 0.079 0.000 1.299 220 H CB 0.369 30.315 29.762 0.307 0.000 1.405 220 H HN 0.543 nan 8.280 nan 0.000 0.463 221 M N 3.925 123.648 119.600 0.204 0.000 2.252 221 M HA -0.068 4.416 4.480 0.007 0.000 0.321 221 M C 1.969 178.413 176.300 0.241 0.000 1.070 221 M CA 0.525 55.924 55.300 0.166 0.000 1.143 221 M CB 0.701 33.331 32.600 0.051 0.000 1.498 221 M HN 0.741 nan 8.290 nan 0.000 0.445 222 R N 0.809 121.410 120.500 0.169 0.000 2.127 222 R HA -0.145 4.199 4.340 0.007 0.000 0.238 222 R C -0.225 176.214 176.300 0.232 0.000 1.134 222 R CA 1.695 57.903 56.100 0.180 0.000 0.975 222 R CB 0.186 30.547 30.300 0.102 0.000 0.865 222 R HN 0.769 nan 8.270 nan 0.000 0.447 223 D N -1.853 118.646 120.400 0.166 0.000 2.859 223 D HA 0.105 4.749 4.640 0.007 0.000 0.223 223 D C -1.102 175.231 176.300 0.055 0.000 1.218 223 D CA -0.499 53.593 54.000 0.153 0.000 0.850 223 D CB 1.592 42.501 40.800 0.182 0.000 1.656 223 D HN 0.007 nan 8.370 nan 0.000 0.484 224 E N 1.703 121.892 120.200 -0.018 0.000 2.734 224 E HA 0.315 4.669 4.350 0.007 0.000 0.211 224 E C 0.272 176.843 176.600 -0.047 0.000 0.991 224 E CA -0.435 55.934 56.400 -0.052 0.000 1.065 224 E CB 1.549 31.166 29.700 -0.139 0.000 1.047 224 E HN 0.458 nan 8.360 nan 0.000 0.470 225 G N 1.098 109.887 108.800 -0.019 0.000 3.244 225 G HA2 -0.036 3.928 3.960 0.007 0.000 0.197 225 G HA3 -0.036 3.928 3.960 0.007 0.000 0.197 225 G C 0.744 175.604 174.900 -0.067 0.000 1.531 225 G CA -0.125 44.953 45.100 -0.036 0.000 0.747 225 G HN 0.132 nan 8.290 nan 0.000 0.763 226 E N -0.135 119.981 120.200 -0.140 0.000 2.130 226 E HA -0.202 4.152 4.350 0.007 0.000 0.196 226 E C 0.906 177.293 176.600 -0.355 0.000 0.998 226 E CA 1.213 57.440 56.400 -0.288 0.000 0.806 226 E CB -0.104 29.326 29.700 -0.449 0.000 0.738 226 E HN 0.471 nan 8.360 nan 0.000 0.459 227 H N -0.168 118.907 119.070 0.008 0.000 2.488 227 H HA 0.128 4.688 4.556 0.007 0.000 0.294 227 H C 1.418 176.749 175.328 0.005 0.000 1.088 227 H CA -0.080 55.972 56.048 0.008 0.000 1.086 227 H CB 0.112 29.881 29.762 0.011 0.000 1.569 227 H HN 0.305 nan 8.280 nan 0.000 0.548 228 I N 0.195 120.802 120.570 0.062 0.000 2.361 228 I HA -0.237 3.937 4.170 0.007 0.000 0.251 228 I C 1.687 177.821 176.117 0.029 0.000 1.133 228 I CA 0.630 61.957 61.300 0.044 0.000 1.413 228 I CB 0.180 38.198 38.000 0.031 0.000 1.073 228 I HN 0.016 nan 8.210 nan 0.000 0.424 229 V N 0.743 120.680 119.914 0.039 0.000 2.343 229 V HA -0.304 3.820 4.120 0.007 0.000 0.247 229 V C 2.385 178.488 176.094 0.016 0.000 1.051 229 V CA 1.829 64.147 62.300 0.032 0.000 1.036 229 V CB -0.700 31.151 31.823 0.047 0.000 0.654 229 V HN 0.452 nan 8.190 nan 0.000 0.451 230 Q N 0.214 120.040 119.800 0.043 0.000 2.124 230 Q HA -0.050 4.294 4.340 0.007 0.000 0.202 230 Q C 2.268 178.257 176.000 -0.018 0.000 0.977 230 Q CA 1.797 57.613 55.803 0.022 0.000 0.850 230 Q CB -0.744 28.017 28.738 0.037 0.000 0.901 230 Q HN 0.654 nan 8.270 nan 0.000 0.429 231 A N -0.048 122.766 122.820 -0.010 0.000 1.930 231 A HA -0.090 4.234 4.320 0.007 0.000 0.217 231 A C 2.016 179.510 177.584 -0.151 0.000 1.175 231 A CA 0.927 52.943 52.037 -0.035 0.000 0.627 231 A CB -0.571 18.439 19.000 0.015 0.000 0.815 231 A HN 0.333 nan 8.150 nan 0.000 0.443 232 L N -0.582 120.505 121.223 -0.227 0.000 2.027 232 L HA -0.150 4.194 4.340 0.007 0.000 0.206 232 L C 2.607 179.006 176.870 -0.784 0.000 1.074 232 L CA 1.199 55.693 54.840 -0.576 0.000 0.745 232 L CB -0.434 41.358 42.059 -0.444 0.000 0.898 232 L HN 0.289 nan 8.230 nan 0.000 0.433 233 E N -0.068 119.950 120.200 -0.304 0.000 2.110 233 E HA -0.280 4.074 4.350 0.007 0.000 0.193 233 E C 1.955 178.500 176.600 -0.092 0.000 0.988 233 E CA 1.173 57.520 56.400 -0.088 0.000 0.804 233 E CB -0.118 29.600 29.700 0.031 0.000 0.745 233 E HN 0.531 nan 8.360 nan 0.000 0.458 234 E N 0.259 120.391 120.200 -0.114 0.000 2.072 234 E HA -0.137 4.217 4.350 0.007 0.000 0.191 234 E C 1.748 178.294 176.600 -0.089 0.000 0.985 234 E CA 1.513 57.871 56.400 -0.069 0.000 0.801 234 E CB 0.110 29.784 29.700 -0.043 0.000 0.750 234 E HN 0.090 nan 8.360 nan 0.000 0.452 235 T N 0.597 115.050 114.554 -0.169 0.000 2.708 235 T HA -0.139 4.215 4.350 0.007 0.000 0.266 235 T C 1.396 176.076 174.700 -0.034 0.000 1.037 235 T CA 1.466 63.496 62.100 -0.117 0.000 1.146 235 T CB -0.356 68.395 68.868 -0.196 0.000 0.865 235 T HN 0.173 nan 8.240 nan 0.000 0.435 236 F N 1.506 121.455 119.950 -0.001 0.000 2.171 236 F HA 0.075 4.606 4.527 0.006 0.000 0.300 236 F C 2.499 178.276 175.800 -0.039 0.000 1.090 236 F CA 0.428 58.419 58.000 -0.016 0.000 1.293 236 F CB -0.919 38.074 39.000 -0.010 0.000 1.013 236 F HN -0.008 nan 8.300 nan 0.000 0.486 237 R N 1.111 121.685 120.500 0.123 0.000 2.081 237 R HA -0.101 4.243 4.340 0.007 0.000 0.235 237 R C 2.072 178.354 176.300 -0.030 0.000 1.131 237 R CA 1.466 57.589 56.100 0.039 0.000 0.960 237 R CB -1.028 29.280 30.300 0.013 0.000 0.856 237 R HN 0.334 nan 8.270 nan 0.000 0.436 238 I N -0.093 120.420 120.570 -0.095 0.000 2.208 238 I HA -0.191 3.983 4.170 0.007 0.000 0.245 238 I C 2.259 178.247 176.117 -0.214 0.000 1.097 238 I CA 1.648 62.812 61.300 -0.226 0.000 1.363 238 I CB -0.687 37.046 38.000 -0.445 0.000 1.051 238 I HN 0.458 nan 8.210 nan 0.000 0.413 239 G N 0.521 109.246 108.800 -0.124 0.000 2.422 239 G HA2 -0.221 3.743 3.960 0.007 0.000 0.218 239 G HA3 -0.221 3.743 3.960 0.007 0.000 0.218 239 G C 1.826 176.708 174.900 -0.030 0.000 1.146 239 G CA 0.449 45.518 45.100 -0.052 0.000 0.769 239 G HN 0.312 nan 8.290 nan 0.000 0.547 240 R N -0.029 120.464 120.500 -0.013 0.000 2.090 240 R HA 0.028 4.372 4.340 0.007 0.000 0.228 240 R C 2.452 178.736 176.300 -0.027 0.000 1.110 240 R CA 0.949 57.042 56.100 -0.012 0.000 0.973 240 R CB -0.132 30.169 30.300 0.002 0.000 0.869 240 R HN 0.281 nan 8.270 nan 0.000 0.440 241 E N 0.904 121.078 120.200 -0.043 0.000 2.072 241 E HA -0.131 4.223 4.350 0.007 0.000 0.191 241 E C 2.110 178.680 176.600 -0.049 0.000 0.985 241 E CA 0.987 57.359 56.400 -0.046 0.000 0.801 241 E CB -0.015 29.650 29.700 -0.058 0.000 0.750 241 E HN 0.337 nan 8.360 nan 0.000 0.452 242 L N 0.358 121.538 121.223 -0.070 0.000 2.179 242 L HA -0.052 4.292 4.340 0.007 0.000 0.208 242 L C 0.518 177.369 176.870 -0.031 0.000 1.096 242 L CA 0.362 55.168 54.840 -0.057 0.000 0.779 242 L CB -0.055 41.951 42.059 -0.089 0.000 0.922 242 L HN 0.069 nan 8.230 nan 0.000 0.443 243 D N 0.637 121.020 120.400 -0.029 0.000 2.737 243 D HA -0.128 4.516 4.640 0.007 0.000 0.243 243 D C -0.635 175.663 176.300 -0.004 0.000 1.109 243 D CA 0.808 54.800 54.000 -0.014 0.000 0.702 243 D CB -0.762 40.031 40.800 -0.012 0.000 1.068 243 D HN 0.160 nan 8.370 nan 0.000 0.432 244 V N -3.120 116.795 119.914 0.002 0.000 3.130 244 V HA 0.905 5.029 4.120 0.007 0.000 0.310 244 V C -2.623 173.491 176.094 0.034 0.000 1.158 244 V CA -1.923 60.390 62.300 0.022 0.000 1.029 244 V CB 2.067 33.916 31.823 0.042 0.000 1.057 244 V HN -0.097 nan 8.190 nan 0.000 0.436 245 P HA 0.439 nan 4.420 nan 0.000 0.275 245 P C -0.608 176.735 177.300 0.072 0.000 1.227 245 P CA -0.079 63.035 63.100 0.024 0.000 0.781 245 P CB 1.059 32.746 31.700 -0.021 0.000 0.906 246 V N 1.018 120.987 119.914 0.091 0.000 2.715 246 V HA 0.698 4.822 4.120 0.007 0.000 0.310 246 V C -0.687 175.448 176.094 0.069 0.000 1.054 246 V CA -0.885 61.520 62.300 0.175 0.000 0.928 246 V CB 2.195 34.179 31.823 0.269 0.000 1.007 246 V HN 0.177 nan 8.190 nan 0.000 0.437 247 V N 5.388 125.323 119.914 0.035 0.000 2.444 247 V HA 0.483 4.607 4.120 0.007 0.000 0.294 247 V C -0.102 175.991 176.094 -0.002 0.000 1.022 247 V CA -0.367 61.920 62.300 -0.021 0.000 0.850 247 V CB 1.558 33.340 31.823 -0.069 0.000 0.992 247 V HN 0.846 nan 8.190 nan 0.000 0.426 248 I N 3.850 124.417 120.570 -0.004 0.000 2.322 248 I HA 0.235 4.409 4.170 0.007 0.000 0.292 248 I C 0.716 176.784 176.117 -0.081 0.000 1.060 248 I CA 0.377 61.649 61.300 -0.047 0.000 1.309 248 I CB 1.117 39.069 38.000 -0.081 0.000 1.415 248 I HN 0.569 nan 8.210 nan 0.000 0.492 249 S N 4.529 120.122 115.700 -0.178 0.000 2.580 249 S HA 0.101 4.575 4.470 0.007 0.000 0.274 249 S C 0.087 174.322 174.600 -0.608 0.000 1.329 249 S CA -0.404 57.562 58.200 -0.390 0.000 1.036 249 S CB 0.240 63.117 63.200 -0.539 0.000 0.919 249 S HN 0.884 nan 8.310 nan 0.000 0.515 250 H N -0.589 118.338 119.070 -0.239 0.000 2.284 250 H HA -0.231 4.329 4.556 0.006 0.000 0.322 250 H C -0.322 174.874 175.328 -0.221 0.000 0.973 250 H CA 0.732 56.622 56.048 -0.262 0.000 1.076 250 H CB -2.457 27.182 29.762 -0.204 0.000 1.596 250 H HN 0.663 nan 8.280 nan 0.000 0.361 251 H N 2.204 121.197 119.070 -0.128 0.000 2.928 251 H HA 0.418 4.977 4.556 0.005 0.000 0.338 251 H C 0.741 175.968 175.328 -0.168 0.000 1.047 251 H CA 0.595 56.570 56.048 -0.121 0.000 1.435 251 H CB 0.535 30.239 29.762 -0.098 0.000 1.428 251 H HN 0.872 nan 8.280 nan 0.000 0.590 252 K N 1.636 121.645 120.400 -0.653 0.000 2.658 252 K HA 0.522 4.846 4.320 0.007 0.000 0.293 252 K C -1.909 174.430 176.600 -0.436 0.000 1.026 252 K CA -0.875 55.099 56.287 -0.521 0.000 0.871 252 K CB 0.967 33.277 32.500 -0.316 0.000 1.524 252 K HN 0.306 nan 8.250 nan 0.000 0.400 253 V N -1.191 118.565 119.914 -0.263 0.000 2.443 253 V HA 0.594 4.718 4.120 0.007 0.000 0.293 253 V C -0.279 175.809 176.094 -0.010 0.000 1.021 253 V CA -0.857 61.371 62.300 -0.119 0.000 0.848 253 V CB 0.853 32.633 31.823 -0.072 0.000 0.998 253 V HN 0.874 nan 8.190 nan 0.000 0.424 254 M N 2.909 122.509 119.600 0.001 0.000 2.423 254 M HA 1.006 5.490 4.480 0.007 0.000 0.335 254 M C 0.293 176.638 176.300 0.076 0.000 1.177 254 M CA 0.021 55.361 55.300 0.066 0.000 1.038 254 M CB 1.656 34.247 32.600 -0.015 0.000 1.641 254 M HN 1.592 nan 8.290 nan 0.000 0.455 255 G N 2.014 110.885 108.800 0.119 0.000 2.907 255 G HA2 -0.155 3.809 3.960 0.007 0.000 0.686 255 G HA3 -0.155 3.809 3.960 0.007 0.000 0.686 255 G C -0.261 174.359 174.900 -0.466 0.000 1.115 255 G CA -0.139 44.904 45.100 -0.095 0.000 0.760 255 G HN 1.094 nan 8.290 nan 0.000 0.620 256 K N 0.970 120.899 120.400 -0.784 0.000 2.127 256 K HA -0.022 4.302 4.320 0.007 0.000 0.208 256 K C 2.393 178.601 176.600 -0.655 0.000 1.047 256 K CA 2.392 57.944 56.287 -1.226 0.000 0.927 256 K CB -0.334 31.778 32.500 -0.645 0.000 0.716 256 K HN 0.619 nan 8.250 nan 0.000 0.450 257 L N 0.546 121.564 121.223 -0.342 0.000 2.551 257 L HA -0.033 4.311 4.340 0.007 0.000 0.228 257 L C 0.967 177.770 176.870 -0.111 0.000 1.153 257 L CA 0.530 55.260 54.840 -0.184 0.000 0.851 257 L CB -0.252 41.725 42.059 -0.137 0.000 0.959 257 L HN 0.236 nan 8.230 nan 0.000 0.451 258 N N -1.072 117.574 118.700 -0.090 0.000 2.184 258 N HA 0.083 4.827 4.740 0.007 0.000 0.206 258 N C 0.080 175.695 175.510 0.175 0.000 1.151 258 N CA -0.093 52.971 53.050 0.023 0.000 0.878 258 N CB 0.602 39.097 38.487 0.015 0.000 1.014 258 N HN 0.022 nan 8.380 nan 0.000 0.512 259 F N 1.509 121.437 119.950 -0.037 0.000 2.608 259 F HA 0.206 4.737 4.527 0.007 0.000 0.380 259 F C 1.901 177.682 175.800 -0.032 0.000 1.083 259 F CA 0.642 58.623 58.000 -0.032 0.000 1.266 259 F CB -0.100 38.890 39.000 -0.017 0.000 1.076 259 F HN 0.297 nan 8.300 nan 0.000 0.574 260 G N 3.412 112.282 108.800 0.115 0.000 2.217 260 G HA2 -0.339 3.625 3.960 0.007 0.000 0.246 260 G HA3 -0.339 3.625 3.960 0.007 0.000 0.246 260 G C 1.387 176.299 174.900 0.020 0.000 0.990 260 G CA 0.118 45.245 45.100 0.046 0.000 0.627 260 G HN 0.599 nan 8.290 nan 0.000 0.522 261 R N 1.111 121.627 120.500 0.027 0.000 2.339 261 R HA 0.113 4.457 4.340 0.007 0.000 0.199 261 R C 2.674 178.965 176.300 -0.015 0.000 1.018 261 R CA 1.124 57.229 56.100 0.007 0.000 1.036 261 R CB -0.140 30.166 30.300 0.011 0.000 0.899 261 R HN 0.632 nan 8.270 nan 0.000 0.473 262 S N 0.859 116.533 115.700 -0.043 0.000 2.442 262 S HA -0.179 4.295 4.470 0.007 0.000 0.236 262 S C 1.863 176.432 174.600 -0.051 0.000 1.007 262 S CA 0.903 59.062 58.200 -0.067 0.000 0.965 262 S CB -0.007 63.123 63.200 -0.115 0.000 0.773 262 S HN 0.295 nan 8.310 nan 0.000 0.504 263 K N 1.533 121.913 120.400 -0.033 0.000 2.057 263 K HA -0.157 4.166 4.320 0.007 0.000 0.207 263 K C 2.386 178.972 176.600 -0.024 0.000 1.049 263 K CA 1.588 57.859 56.287 -0.027 0.000 0.931 263 K CB -0.239 32.255 32.500 -0.009 0.000 0.714 263 K HN 0.642 nan 8.250 nan 0.000 0.440 264 E N -0.104 120.091 120.200 -0.009 0.000 2.047 264 E HA -0.165 4.189 4.350 0.007 0.000 0.191 264 E C 1.798 178.402 176.600 0.008 0.000 0.987 264 E CA 1.840 58.242 56.400 0.004 0.000 0.799 264 E CB -0.098 29.609 29.700 0.012 0.000 0.752 264 E HN 0.490 nan 8.360 nan 0.000 0.449 265 T N -0.363 114.204 114.554 0.022 0.000 2.777 265 T HA -0.117 4.237 4.350 0.007 0.000 0.266 265 T C 2.092 176.773 174.700 -0.031 0.000 1.040 265 T CA 1.153 63.287 62.100 0.057 0.000 1.141 265 T CB -0.477 68.513 68.868 0.203 0.000 0.868 265 T HN 0.158 nan 8.240 nan 0.000 0.444 266 L N 0.901 122.046 121.223 -0.130 0.000 2.141 266 L HA 0.091 4.435 4.340 0.007 0.000 0.209 266 L C 3.324 180.034 176.870 -0.266 0.000 1.094 266 L CA 1.027 55.610 54.840 -0.429 0.000 0.763 266 L CB -0.745 40.950 42.059 -0.606 0.000 0.908 266 L HN 0.398 nan 8.230 nan 0.000 0.437 267 A N 0.196 122.955 122.820 -0.101 0.000 1.930 267 A HA -0.130 4.194 4.320 0.007 0.000 0.217 267 A C 2.246 179.828 177.584 -0.003 0.000 1.175 267 A CA 1.238 53.261 52.037 -0.022 0.000 0.627 267 A CB -0.552 18.447 19.000 -0.001 0.000 0.815 267 A HN 0.342 nan 8.150 nan 0.000 0.443 268 L N -0.692 120.540 121.223 0.015 0.000 2.093 268 L HA -0.143 4.201 4.340 0.007 0.000 0.208 268 L C 2.437 179.332 176.870 0.041 0.000 1.085 268 L CA 1.104 55.984 54.840 0.067 0.000 0.755 268 L CB -0.443 41.715 42.059 0.165 0.000 0.904 268 L HN 0.368 nan 8.230 nan 0.000 0.435 269 I N -0.362 120.242 120.570 0.057 0.000 2.252 269 I HA -0.278 3.896 4.170 0.007 0.000 0.245 269 I C 2.604 178.740 176.117 0.031 0.000 1.102 269 I CA 1.241 62.579 61.300 0.063 0.000 1.385 269 I CB -0.215 37.789 38.000 0.008 0.000 1.064 269 I HN 0.310 nan 8.210 nan 0.000 0.414 270 E N 1.229 121.492 120.200 0.105 0.000 2.077 270 E HA -0.255 4.099 4.350 0.007 0.000 0.193 270 E C 2.262 178.880 176.600 0.031 0.000 0.989 270 E CA 1.370 57.880 56.400 0.184 0.000 0.800 270 E CB -0.016 29.834 29.700 0.250 0.000 0.746 270 E HN 0.491 nan 8.360 nan 0.000 0.452 271 A N 1.035 123.839 122.820 -0.028 0.000 1.898 271 A HA -0.069 4.255 4.320 0.007 0.000 0.216 271 A C 2.370 179.858 177.584 -0.160 0.000 1.181 271 A CA 1.666 53.660 52.037 -0.072 0.000 0.620 271 A CB -0.691 18.272 19.000 -0.062 0.000 0.819 271 A HN 0.406 nan 8.150 nan 0.000 0.442 272 A N -0.520 122.112 122.820 -0.314 0.000 1.933 272 A HA -0.106 4.218 4.320 0.007 0.000 0.218 272 A C 2.190 179.600 177.584 -0.291 0.000 1.175 272 A CA 1.720 53.447 52.037 -0.518 0.000 0.628 272 A CB -0.555 17.657 19.000 -1.315 0.000 0.814 272 A HN 0.520 nan 8.150 nan 0.000 0.444 273 M N -0.468 119.030 119.600 -0.170 0.000 2.358 273 M HA -0.136 4.348 4.480 0.007 0.000 0.264 273 M C 2.252 178.516 176.300 -0.061 0.000 1.064 273 M CA 1.114 56.368 55.300 -0.076 0.000 1.093 273 M CB -0.271 32.326 32.600 -0.004 0.000 1.401 273 M HN 0.494 nan 8.290 nan 0.000 0.440 274 A N -0.324 122.456 122.820 -0.067 0.000 2.066 274 A HA -0.071 4.253 4.320 0.007 0.000 0.218 274 A C 2.156 179.708 177.584 -0.053 0.000 1.157 274 A CA 1.693 53.702 52.037 -0.048 0.000 0.670 274 A CB -0.346 18.630 19.000 -0.040 0.000 0.804 274 A HN 0.546 nan 8.150 nan 0.000 0.453 275 S N -1.771 113.883 115.700 -0.077 0.000 2.578 275 S HA 0.273 4.747 4.470 0.007 0.000 0.228 275 S C 0.367 174.929 174.600 -0.062 0.000 1.022 275 S CA 0.044 58.205 58.200 -0.065 0.000 0.967 275 S CB -0.091 63.067 63.200 -0.070 0.000 0.914 275 S HN 0.775 nan 8.310 nan 0.000 0.515 276 Q N -0.098 119.656 119.800 -0.076 0.000 2.590 276 Q HA 0.452 4.796 4.340 0.007 0.000 0.295 276 Q C -2.185 173.790 176.000 -0.042 0.000 0.973 276 Q CA -0.911 54.861 55.803 -0.052 0.000 0.768 276 Q CB 0.608 29.315 28.738 -0.052 0.000 1.479 276 Q HN -0.043 nan 8.270 nan 0.000 0.419 277 D N 1.351 121.741 120.400 -0.017 0.000 2.352 277 D HA 0.354 4.998 4.640 0.007 0.000 0.245 277 D C -1.209 175.098 176.300 0.011 0.000 1.224 277 D CA 0.078 54.073 54.000 -0.008 0.000 0.879 277 D CB 0.915 41.712 40.800 -0.006 0.000 1.057 277 D HN 0.380 nan 8.370 nan 0.000 0.491 278 V N 2.582 122.502 119.914 0.010 0.000 2.709 278 V HA 0.525 4.649 4.120 0.007 0.000 0.308 278 V C 0.049 176.160 176.094 0.029 0.000 1.062 278 V CA -0.707 61.622 62.300 0.048 0.000 0.901 278 V CB 2.194 34.062 31.823 0.074 0.000 1.003 278 V HN 0.493 nan 8.190 nan 0.000 0.425 279 S N 3.866 119.577 115.700 0.018 0.000 2.661 279 S HA 0.933 5.407 4.470 0.007 0.000 0.285 279 S C -0.996 173.613 174.600 0.015 0.000 1.138 279 S CA -0.744 57.449 58.200 -0.013 0.000 0.855 279 S CB 2.256 65.386 63.200 -0.116 0.000 1.136 279 S HN 0.898 nan 8.310 nan 0.000 0.484 280 L N -0.195 121.043 121.223 0.026 0.000 2.622 280 L HA 0.922 5.266 4.340 0.007 0.000 0.258 280 L C -2.207 174.696 176.870 0.054 0.000 0.996 280 L CA -1.014 53.848 54.840 0.037 0.000 0.858 280 L CB 2.098 44.183 42.059 0.043 0.000 1.449 280 L HN 0.706 nan 8.230 nan 0.000 0.411 281 D N 1.050 121.481 120.400 0.052 0.000 2.531 281 D HA 0.926 5.570 4.640 0.007 0.000 0.244 281 D C -0.888 175.419 176.300 0.012 0.000 1.090 281 D CA -0.352 53.681 54.000 0.056 0.000 0.989 281 D CB 2.230 43.099 40.800 0.115 0.000 1.433 281 D HN 1.078 nan 8.370 nan 0.000 0.492 282 A N -0.568 122.243 122.820 -0.015 0.000 2.612 282 A HA 0.628 4.952 4.320 0.007 0.000 0.293 282 A C -1.865 175.668 177.584 -0.085 0.000 1.075 282 A CA -1.173 50.789 52.037 -0.126 0.000 0.680 282 A CB 0.868 19.776 19.000 -0.154 0.000 1.279 282 A HN 0.748 nan 8.150 nan 0.000 0.411 283 Y N -0.463 119.823 120.300 -0.024 0.000 2.420 283 Y HA 0.771 5.326 4.550 0.009 0.000 0.334 283 Y C -2.280 173.634 175.900 0.025 0.000 1.094 283 Y CA -3.257 54.841 58.100 -0.003 0.000 1.126 283 Y CB 0.920 39.398 38.460 0.030 0.000 1.217 283 Y HN 0.363 nan 8.280 nan 0.000 0.462 284 P HA 0.147 nan 4.420 nan 0.000 0.226 284 P C -1.612 175.589 177.300 -0.165 0.000 1.758 284 P CA 0.510 63.558 63.100 -0.086 0.000 0.896 284 P CB -0.704 30.926 31.700 -0.118 0.000 1.784 285 Y N -1.570 118.921 120.300 0.318 0.000 2.615 285 Y HA 0.221 4.776 4.550 0.009 0.000 0.341 285 Y C 1.342 177.425 175.900 0.306 0.000 1.089 285 Y CA -1.116 57.214 58.100 0.382 0.000 1.049 285 Y CB 1.619 40.394 38.460 0.525 0.000 1.296 285 Y HN -0.255 nan 8.280 nan 0.000 0.470 286 V N -1.547 118.631 119.914 0.440 0.000 3.514 286 V HA 0.714 4.838 4.120 0.007 0.000 0.301 286 V C 0.262 176.455 176.094 0.166 0.000 1.346 286 V CA 0.353 62.797 62.300 0.240 0.000 1.156 286 V CB -0.695 31.243 31.823 0.191 0.000 1.029 286 V HN 0.644 nan 8.190 nan 0.000 0.428 287 A N -0.205 122.733 122.820 0.197 0.000 2.386 287 A HA 0.917 5.241 4.320 0.007 0.000 0.311 287 A C 0.176 177.904 177.584 0.239 0.000 1.068 287 A CA 0.007 51.971 52.037 -0.122 0.000 0.743 287 A CB 1.421 19.742 19.000 -1.132 0.000 1.258 287 A HN 0.653 nan 8.150 nan 0.000 0.429 288 G N -0.400 108.499 108.800 0.164 0.000 2.613 288 G HA2 0.628 4.592 3.960 0.007 0.000 0.303 288 G HA3 0.628 4.592 3.960 0.007 0.000 0.303 288 G C -0.390 174.607 174.900 0.162 0.000 1.312 288 G CA -0.082 45.111 45.100 0.156 0.000 1.036 288 G HN 1.433 nan 8.290 nan 0.000 0.513 289 S N -1.938 113.825 115.700 0.105 0.000 2.548 289 S HA 0.683 5.157 4.470 0.007 0.000 0.278 289 S C -0.650 174.055 174.600 0.175 0.000 1.150 289 S CA 0.212 58.488 58.200 0.127 0.000 0.907 289 S CB 1.686 64.924 63.200 0.064 0.000 1.108 289 S HN 1.254 nan 8.310 nan 0.000 0.459 290 T N 2.690 117.393 114.554 0.248 0.000 2.684 290 T HA 0.385 4.739 4.350 0.007 0.000 0.294 290 T C -1.009 173.842 174.700 0.251 0.000 1.783 290 T CA -0.193 62.069 62.100 0.270 0.000 0.963 290 T CB 0.065 69.186 68.868 0.422 0.000 2.009 290 T HN 1.021 nan 8.240 nan 0.000 0.448 291 M N 1.911 121.653 119.600 0.236 0.000 2.252 291 M HA 0.480 4.964 4.480 0.007 0.000 0.321 291 M C -0.087 176.317 176.300 0.174 0.000 1.070 291 M CA -0.322 55.065 55.300 0.146 0.000 1.143 291 M CB -0.079 32.596 32.600 0.124 0.000 1.498 291 M HN 0.490 nan 8.290 nan 0.000 0.445 292 L N 3.094 124.311 121.223 -0.009 0.000 2.410 292 L HA 0.362 4.706 4.340 0.007 0.000 0.273 292 L C -0.429 176.494 176.870 0.089 0.000 1.144 292 L CA 0.944 55.810 54.840 0.043 0.000 0.863 292 L CB 0.191 42.170 42.059 -0.133 0.000 1.140 292 L HN 0.859 nan 8.230 nan 0.000 0.463 293 K N 3.640 124.140 120.400 0.166 0.000 2.502 293 K HA 0.329 4.653 4.320 0.007 0.000 0.257 293 K C -1.020 175.563 176.600 -0.028 0.000 0.938 293 K CA -0.662 55.657 56.287 0.054 0.000 0.819 293 K CB 1.541 34.095 32.500 0.090 0.000 1.333 293 K HN 0.624 nan 8.250 nan 0.000 0.434 294 Q N 2.645 122.356 119.800 -0.148 0.000 2.513 294 Q HA 0.040 4.384 4.340 0.007 0.000 0.227 294 Q C -1.187 174.731 176.000 -0.136 0.000 1.257 294 Q CA 0.323 55.914 55.803 -0.354 0.000 0.915 294 Q CB 0.339 28.724 28.738 -0.588 0.000 1.507 294 Q HN 0.324 nan 8.270 nan 0.000 0.543 295 D N 1.640 122.058 120.400 0.030 0.000 2.686 295 D HA 0.127 4.771 4.640 0.007 0.000 0.249 295 D C 0.614 177.035 176.300 0.202 0.000 1.260 295 D CA -0.469 53.605 54.000 0.123 0.000 0.910 295 D CB 0.989 41.816 40.800 0.045 0.000 1.323 295 D HN 0.246 nan 8.370 nan 0.000 0.561 296 R N 2.086 122.727 120.500 0.234 0.000 2.127 296 R HA -0.057 4.287 4.340 0.007 0.000 0.238 296 R C 1.632 177.968 176.300 0.060 0.000 1.134 296 R CA 0.933 57.107 56.100 0.124 0.000 0.975 296 R CB -0.242 30.055 30.300 -0.005 0.000 0.865 296 R HN 0.346 nan 8.270 nan 0.000 0.447 297 V N 1.041 120.980 119.914 0.042 0.000 2.446 297 V HA -0.101 4.023 4.120 0.007 0.000 0.244 297 V C 2.490 178.576 176.094 -0.014 0.000 1.039 297 V CA 0.971 63.275 62.300 0.006 0.000 1.045 297 V CB -0.397 31.427 31.823 0.002 0.000 0.681 297 V HN 0.157 nan 8.190 nan 0.000 0.459 298 L N -0.321 120.858 121.223 -0.073 0.000 2.079 298 L HA -0.165 4.179 4.340 0.007 0.000 0.210 298 L C 2.186 179.013 176.870 -0.070 0.000 1.081 298 L CA 1.595 56.267 54.840 -0.278 0.000 0.752 298 L CB -0.386 41.248 42.059 -0.709 0.000 0.896 298 L HN 0.320 nan 8.230 nan 0.000 0.433 299 L N -0.907 120.351 121.223 0.057 0.000 2.599 299 L HA 0.027 4.371 4.340 0.007 0.000 0.230 299 L C 2.585 179.538 176.870 0.138 0.000 1.141 299 L CA 0.133 55.080 54.840 0.179 0.000 0.877 299 L CB -0.510 41.665 42.059 0.193 0.000 1.009 299 L HN 0.159 nan 8.230 nan 0.000 0.447 300 A N 0.416 123.290 122.820 0.090 0.000 1.972 300 A HA 0.069 4.393 4.320 0.007 0.000 0.219 300 A C 1.504 179.130 177.584 0.070 0.000 1.169 300 A CA 1.414 53.484 52.037 0.056 0.000 0.635 300 A CB -0.577 18.429 19.000 0.010 0.000 0.810 300 A HN 0.393 nan 8.150 nan 0.000 0.446 301 G N -1.475 107.397 108.800 0.120 0.000 2.795 301 G HA2 0.461 4.425 3.960 0.007 0.000 0.267 301 G HA3 0.461 4.425 3.960 0.007 0.000 0.267 301 G C -0.175 174.813 174.900 0.145 0.000 1.362 301 G CA -0.848 44.332 45.100 0.134 0.000 1.048 301 G HN 0.434 nan 8.290 nan 0.000 0.547 302 R N -0.471 120.100 120.500 0.118 0.000 2.538 302 R HA 0.237 4.581 4.340 0.007 0.000 0.282 302 R C -0.896 175.524 176.300 0.200 0.000 1.009 302 R CA 0.596 56.729 56.100 0.056 0.000 1.063 302 R CB -0.122 30.063 30.300 -0.190 0.000 0.945 302 R HN 0.327 nan 8.270 nan 0.000 0.414 303 T N 6.272 120.890 114.554 0.108 0.000 2.881 303 T HA 0.383 4.737 4.350 0.007 0.000 0.291 303 T C -0.553 174.134 174.700 -0.021 0.000 0.990 303 T CA -0.622 61.516 62.100 0.064 0.000 0.976 303 T CB 0.957 69.880 68.868 0.092 0.000 0.970 303 T HN 0.417 nan 8.240 nan 0.000 0.438 304 L N 3.376 124.563 121.223 -0.060 0.000 2.334 304 L HA 0.613 4.957 4.340 0.007 0.000 0.276 304 L C -0.271 176.527 176.870 -0.120 0.000 1.014 304 L CA -1.409 53.395 54.840 -0.060 0.000 0.815 304 L CB 1.391 43.449 42.059 -0.003 0.000 1.268 304 L HN 0.376 nan 8.230 nan 0.000 0.428 305 I N 1.475 121.990 120.570 -0.093 0.000 2.441 305 I HA 0.078 4.252 4.170 0.007 0.000 0.287 305 I C 1.379 177.459 176.117 -0.062 0.000 1.049 305 I CA 0.158 61.387 61.300 -0.117 0.000 1.381 305 I CB 1.393 39.340 38.000 -0.089 0.000 1.409 305 I HN 0.780 nan 8.210 nan 0.000 0.523 306 T N 2.981 117.490 114.554 -0.075 0.000 3.039 306 T HA 0.097 4.451 4.350 0.007 0.000 0.250 306 T C 0.156 174.997 174.700 0.236 0.000 1.052 306 T CA -0.002 62.147 62.100 0.081 0.000 1.125 306 T CB 0.408 69.366 68.868 0.150 0.000 0.908 306 T HN 0.676 nan 8.240 nan 0.000 0.473 307 W N -0.777 120.535 121.300 0.020 0.000 3.161 307 W HA 0.630 5.294 4.660 0.006 0.000 0.314 307 W C -2.266 174.274 176.519 0.035 0.000 1.245 307 W CA -1.990 55.374 57.345 0.033 0.000 1.191 307 W CB 0.821 30.307 29.460 0.042 0.000 1.392 307 W HN 0.036 nan 8.180 nan 0.000 0.568 308 C N 3.505 122.954 119.300 0.248 0.000 2.716 308 C HA 0.337 4.801 4.460 0.007 0.000 0.366 308 C C 1.238 176.369 174.990 0.235 0.000 1.073 308 C CA -0.353 58.704 59.018 0.064 0.000 1.260 308 C CB 1.392 29.156 27.740 0.041 0.000 1.755 308 C HN 0.938 nan 8.230 nan 0.000 0.475 309 K N 4.520 125.065 120.400 0.241 0.000 2.007 309 K HA 0.053 4.377 4.320 0.007 0.000 0.206 309 K C -0.629 175.981 176.600 0.016 0.000 1.047 309 K CA 1.738 58.142 56.287 0.194 0.000 0.937 309 K CB -0.318 32.315 32.500 0.222 0.000 0.718 309 K HN 0.716 nan 8.250 nan 0.000 0.438 310 P HA -0.126 nan 4.420 nan 0.000 0.223 310 P C -0.507 176.400 177.300 -0.656 0.000 1.151 310 P CA 1.196 64.057 63.100 -0.398 0.000 0.787 310 P CB 0.162 31.566 31.700 -0.494 0.000 0.788 311 Y N -1.421 118.898 120.300 0.032 0.000 2.592 311 Y HA 0.350 4.904 4.550 0.006 0.000 0.354 311 Y C -1.828 174.096 175.900 0.040 0.000 1.063 311 Y CA -2.355 55.760 58.100 0.026 0.000 1.205 311 Y CB 0.819 39.283 38.460 0.007 0.000 1.106 311 Y HN -0.083 nan 8.280 nan 0.000 0.649 312 P HA -0.246 nan 4.420 nan 0.000 0.217 312 P C 1.477 178.852 177.300 0.125 0.000 1.148 312 P CA 1.758 64.940 63.100 0.137 0.000 0.828 312 P CB 0.389 32.152 31.700 0.105 0.000 0.783 313 E N 0.251 120.522 120.200 0.119 0.000 2.401 313 E HA -0.140 4.214 4.350 0.007 0.000 0.199 313 E C 1.588 178.230 176.600 0.070 0.000 1.023 313 E CA 0.899 57.351 56.400 0.087 0.000 0.859 313 E CB -1.182 28.565 29.700 0.078 0.000 0.780 313 E HN 0.333 nan 8.360 nan 0.000 0.523 314 L N 1.378 122.651 121.223 0.083 0.000 2.552 314 L HA 0.043 4.387 4.340 0.007 0.000 0.227 314 L C 0.766 177.656 176.870 0.034 0.000 1.146 314 L CA -0.061 54.805 54.840 0.042 0.000 0.858 314 L CB -0.238 41.843 42.059 0.036 0.000 0.969 314 L HN -0.114 nan 8.230 nan 0.000 0.451 315 S N 0.585 116.323 115.700 0.063 0.000 2.544 315 S HA 0.262 4.736 4.470 0.007 0.000 0.290 315 S C 1.261 175.886 174.600 0.042 0.000 1.276 315 S CA 0.643 58.884 58.200 0.068 0.000 1.075 315 S CB 0.777 64.044 63.200 0.112 0.000 0.849 315 S HN 0.606 nan 8.310 nan 0.000 0.494 316 G N 3.107 111.923 108.800 0.027 0.000 2.217 316 G HA2 -0.223 3.741 3.960 0.007 0.000 0.246 316 G HA3 -0.223 3.741 3.960 0.007 0.000 0.246 316 G C 0.140 175.037 174.900 -0.005 0.000 0.990 316 G CA -0.297 44.811 45.100 0.014 0.000 0.627 316 G HN 0.630 nan 8.290 nan 0.000 0.522 317 R N 0.607 121.100 120.500 -0.011 0.000 2.577 317 R HA 0.424 4.768 4.340 0.007 0.000 0.269 317 R C -0.662 175.617 176.300 -0.035 0.000 1.084 317 R CA -0.517 55.569 56.100 -0.024 0.000 1.163 317 R CB 0.557 30.842 30.300 -0.024 0.000 1.100 317 R HN 0.206 nan 8.270 nan 0.000 0.547 318 D N 1.681 122.058 120.400 -0.039 0.000 2.277 318 D HA -0.005 4.639 4.640 0.007 0.000 0.249 318 D C 0.803 177.080 176.300 -0.038 0.000 1.134 318 D CA -0.272 53.703 54.000 -0.042 0.000 0.863 318 D CB 1.364 42.136 40.800 -0.048 0.000 1.143 318 D HN 0.243 nan 8.370 nan 0.000 0.458 319 L N 4.636 125.838 121.223 -0.034 0.000 2.131 319 L HA -0.132 4.212 4.340 0.007 0.000 0.210 319 L C 1.965 178.825 176.870 -0.016 0.000 1.092 319 L CA 1.780 56.604 54.840 -0.027 0.000 0.759 319 L CB -0.414 41.637 42.059 -0.013 0.000 0.903 319 L HN 0.496 nan 8.230 nan 0.000 0.435 320 E N 0.045 120.238 120.200 -0.012 0.000 2.077 320 E HA -0.295 4.059 4.350 0.007 0.000 0.193 320 E C 2.133 178.721 176.600 -0.020 0.000 0.989 320 E CA 1.874 58.268 56.400 -0.010 0.000 0.800 320 E CB -0.261 29.431 29.700 -0.013 0.000 0.746 320 E HN 0.661 nan 8.360 nan 0.000 0.452 321 E N -0.259 119.924 120.200 -0.028 0.000 2.072 321 E HA -0.137 4.217 4.350 0.007 0.000 0.191 321 E C 2.157 178.734 176.600 -0.038 0.000 0.985 321 E CA 1.183 57.564 56.400 -0.032 0.000 0.801 321 E CB -0.166 29.513 29.700 -0.035 0.000 0.750 321 E HN 0.401 nan 8.360 nan 0.000 0.452 322 I N 1.093 121.636 120.570 -0.044 0.000 2.179 322 I HA -0.267 3.907 4.170 0.007 0.000 0.242 322 I C 2.614 178.697 176.117 -0.057 0.000 1.088 322 I CA 1.102 62.365 61.300 -0.062 0.000 1.357 322 I CB -0.358 37.600 38.000 -0.070 0.000 1.051 322 I HN 0.185 nan 8.210 nan 0.000 0.409 323 A N 0.762 123.560 122.820 -0.037 0.000 1.877 323 A HA -0.166 4.158 4.320 0.007 0.000 0.216 323 A C 2.560 180.131 177.584 -0.023 0.000 1.186 323 A CA 1.901 53.923 52.037 -0.024 0.000 0.620 323 A CB -0.948 18.050 19.000 -0.002 0.000 0.822 323 A HN 0.425 nan 8.150 nan 0.000 0.443 324 A N -0.276 122.532 122.820 -0.021 0.000 1.908 324 A HA -0.203 4.121 4.320 0.007 0.000 0.218 324 A C 1.897 179.466 177.584 -0.024 0.000 1.181 324 A CA 1.827 53.853 52.037 -0.019 0.000 0.627 324 A CB -0.566 18.423 19.000 -0.018 0.000 0.818 324 A HN 0.627 nan 8.150 nan 0.000 0.445 325 E N -0.961 119.219 120.200 -0.033 0.000 2.347 325 E HA -0.046 4.308 4.350 0.007 0.000 0.196 325 E C 1.866 178.440 176.600 -0.043 0.000 1.008 325 E CA 0.380 56.757 56.400 -0.037 0.000 0.852 325 E CB -0.009 29.666 29.700 -0.042 0.000 0.783 325 E HN 0.486 nan 8.360 nan 0.000 0.505 326 R N -0.573 119.898 120.500 -0.048 0.000 2.317 326 R HA 0.089 4.433 4.340 0.007 0.000 0.208 326 R C 0.773 177.055 176.300 -0.030 0.000 0.914 326 R CA 0.486 56.556 56.100 -0.050 0.000 1.060 326 R CB 0.632 30.890 30.300 -0.069 0.000 1.015 326 R HN 0.172 nan 8.270 nan 0.000 0.498 327 G N 1.979 110.766 108.800 -0.022 0.000 2.176 327 G HA2 -0.313 3.650 3.960 0.007 0.000 0.252 327 G HA3 -0.313 3.650 3.960 0.007 0.000 0.252 327 G C -0.221 174.676 174.900 -0.005 0.000 1.024 327 G CA 0.549 45.641 45.100 -0.012 0.000 0.755 327 G HN 0.282 nan 8.290 nan 0.000 0.507 328 K N -0.488 119.910 120.400 -0.003 0.000 2.433 328 K HA 0.693 5.017 4.320 0.007 0.000 0.252 328 K C 0.548 177.160 176.600 0.020 0.000 1.015 328 K CA -0.250 56.044 56.287 0.011 0.000 0.860 328 K CB 1.605 34.112 32.500 0.012 0.000 1.359 328 K HN 0.387 nan 8.250 nan 0.000 0.452 329 S N -0.001 115.723 115.700 0.040 0.000 2.614 329 S HA 0.157 4.631 4.470 0.007 0.000 0.265 329 S C 0.817 175.459 174.600 0.071 0.000 1.303 329 S CA -0.390 57.843 58.200 0.055 0.000 1.000 329 S CB 1.110 64.354 63.200 0.073 0.000 0.935 329 S HN 0.585 nan 8.310 nan 0.000 0.551 330 K N -0.128 120.320 120.400 0.079 0.000 2.063 330 K HA -0.132 4.192 4.320 0.007 0.000 0.208 330 K C 1.853 178.523 176.600 0.117 0.000 1.048 330 K CA 1.770 58.106 56.287 0.082 0.000 0.928 330 K CB -0.483 32.070 32.500 0.088 0.000 0.713 330 K HN 0.714 nan 8.250 nan 0.000 0.442 331 Y N 2.149 122.460 120.300 0.018 0.000 2.181 331 Y HA -0.242 4.312 4.550 0.006 0.000 0.288 331 Y C 1.589 177.497 175.900 0.012 0.000 1.146 331 Y CA 1.658 59.769 58.100 0.018 0.000 1.164 331 Y CB 0.027 38.493 38.460 0.011 0.000 0.982 331 Y HN 0.073 nan 8.280 nan 0.000 0.515 332 D N -0.924 119.595 120.400 0.200 0.000 2.224 332 D HA -0.133 4.511 4.640 0.007 0.000 0.205 332 D C 2.147 178.456 176.300 0.014 0.000 0.965 332 D CA 0.908 54.968 54.000 0.100 0.000 0.852 332 D CB -0.186 40.683 40.800 0.114 0.000 0.947 332 D HN 0.336 nan 8.370 nan 0.000 0.494 333 V N 0.224 120.144 119.914 0.010 0.000 3.041 333 V HA -0.113 4.011 4.120 0.007 0.000 0.260 333 V C 2.188 178.264 176.094 -0.029 0.000 1.105 333 V CA 0.567 62.860 62.300 -0.011 0.000 1.125 333 V CB 0.063 31.877 31.823 -0.015 0.000 0.730 333 V HN -0.032 nan 8.190 nan 0.000 0.479 334 V N 1.207 121.087 119.914 -0.056 0.000 2.252 334 V HA -0.182 3.942 4.120 0.007 0.000 0.249 334 V C 0.208 176.265 176.094 -0.061 0.000 1.056 334 V CA 2.879 65.136 62.300 -0.071 0.000 1.022 334 V CB -1.757 29.993 31.823 -0.122 0.000 0.641 334 V HN 0.522 nan 8.190 nan 0.000 0.445 335 P HA -0.214 nan 4.420 nan 0.000 0.216 335 P C 1.600 178.898 177.300 -0.003 0.000 1.153 335 P CA 1.803 64.876 63.100 -0.045 0.000 0.858 335 P CB -0.157 31.515 31.700 -0.047 0.000 0.789 336 E N -0.111 120.103 120.200 0.022 0.000 2.418 336 E HA -0.096 4.258 4.350 0.007 0.000 0.197 336 E C 1.400 178.094 176.600 0.158 0.000 1.026 336 E CA 0.775 57.225 56.400 0.084 0.000 0.862 336 E CB -0.807 28.950 29.700 0.094 0.000 0.799 336 E HN 0.283 nan 8.360 nan 0.000 0.518 337 L N 0.580 121.859 121.223 0.093 0.000 2.607 337 L HA 0.170 4.514 4.340 0.007 0.000 0.228 337 L C 0.963 177.843 176.870 0.016 0.000 1.123 337 L CA -0.134 54.778 54.840 0.119 0.000 0.890 337 L CB 0.022 42.105 42.059 0.041 0.000 1.103 337 L HN 0.049 nan 8.230 nan 0.000 0.468 338 Q N 1.793 121.583 119.800 -0.015 0.000 2.299 338 Q HA 0.265 4.609 4.340 0.007 0.000 0.246 338 Q C -2.094 173.893 176.000 -0.023 0.000 0.935 338 Q CA -1.829 53.943 55.803 -0.052 0.000 0.887 338 Q CB 0.880 29.590 28.738 -0.047 0.000 1.223 338 Q HN -0.036 nan 8.270 nan 0.000 0.439 339 P HA 0.362 nan 4.420 nan 0.000 0.282 339 P C -1.500 175.629 177.300 -0.284 0.000 1.249 339 P CA -0.134 62.945 63.100 -0.035 0.000 0.806 339 P CB 1.354 33.144 31.700 0.150 0.000 0.984 340 A N 1.424 123.834 122.820 -0.683 0.000 2.581 340 A HA 0.803 5.127 4.320 0.007 0.000 0.290 340 A C -0.753 175.979 177.584 -1.419 0.000 1.119 340 A CA -0.345 50.898 52.037 -1.322 0.000 0.670 340 A CB 1.281 19.924 19.000 -0.596 0.000 1.280 340 A HN 0.633 nan 8.150 nan 0.000 0.425 341 G N -1.350 106.486 108.800 -1.606 0.000 2.537 341 G HA2 0.908 4.872 3.960 0.007 0.000 0.308 341 G HA3 0.908 4.872 3.960 0.007 0.000 0.308 341 G C -0.543 174.094 174.900 -0.439 0.000 1.237 341 G CA 0.042 44.672 45.100 -0.783 0.000 0.968 341 G HN 2.071 nan 8.290 nan 0.000 0.481 342 A N -0.153 122.488 122.820 -0.298 0.000 2.602 342 A HA 0.796 5.120 4.320 0.007 0.000 0.290 342 A C -1.438 175.863 177.584 -0.471 0.000 1.114 342 A CA -0.607 51.166 52.037 -0.440 0.000 0.683 342 A CB 1.111 19.686 19.000 -0.709 0.000 1.281 342 A HN 0.688 nan 8.150 nan 0.000 0.416 343 I N 0.646 120.944 120.570 -0.454 0.000 2.433 343 I HA 0.448 4.622 4.170 0.007 0.000 0.292 343 I C -1.586 174.302 176.117 -0.382 0.000 1.001 343 I CA -0.424 60.700 61.300 -0.293 0.000 1.119 343 I CB 1.659 39.572 38.000 -0.145 0.000 1.289 343 I HN 0.610 nan 8.210 nan 0.000 0.438 344 Y N 5.480 125.744 120.300 -0.059 0.000 2.326 344 Y HA 0.381 4.934 4.550 0.006 0.000 0.331 344 Y C -0.483 175.367 175.900 -0.083 0.000 0.962 344 Y CA -0.701 57.400 58.100 0.003 0.000 1.167 344 Y CB 1.006 39.494 38.460 0.045 0.000 1.148 344 Y HN 0.333 nan 8.280 nan 0.000 0.463 345 F N 5.252 125.275 119.950 0.122 0.000 2.567 345 F HA 0.160 4.690 4.527 0.006 0.000 0.352 345 F C 0.423 176.309 175.800 0.143 0.000 1.229 345 F CA -0.622 57.420 58.000 0.071 0.000 1.228 345 F CB 0.294 39.272 39.000 -0.036 0.000 1.568 345 F HN 0.487 nan 8.300 nan 0.000 0.634 346 M N 0.015 119.764 119.600 0.249 0.000 2.603 346 M HA 0.442 4.926 4.480 0.007 0.000 0.380 346 M C -0.711 175.790 176.300 0.335 0.000 1.158 346 M CA 0.076 55.541 55.300 0.276 0.000 0.921 346 M CB -0.047 32.657 32.600 0.172 0.000 1.417 346 M HN 0.151 nan 8.290 nan 0.000 0.523 347 M N -0.179 119.541 119.600 0.202 0.000 2.761 347 M HA 0.606 5.090 4.480 0.007 0.000 0.305 347 M C -1.236 174.831 176.300 -0.389 0.000 1.235 347 M CA -0.626 54.654 55.300 -0.033 0.000 0.850 347 M CB 2.078 34.651 32.600 -0.045 0.000 1.744 347 M HN 0.042 nan 8.290 nan 0.000 0.480 348 D N 0.094 120.030 120.400 -0.773 0.000 2.375 348 D HA 0.193 4.836 4.640 0.007 0.000 0.247 348 D C 0.317 176.409 176.300 -0.346 0.000 1.061 348 D CA -0.172 53.344 54.000 -0.806 0.000 0.834 348 D CB 1.774 41.708 40.800 -1.444 0.000 1.247 348 D HN 0.606 nan 8.370 nan 0.000 0.489 349 E N 3.301 123.398 120.200 -0.171 0.000 2.097 349 E HA -0.132 4.222 4.350 0.007 0.000 0.196 349 E C -1.170 175.386 176.600 -0.073 0.000 1.000 349 E CA 1.869 58.236 56.400 -0.054 0.000 0.804 349 E CB -0.586 29.128 29.700 0.024 0.000 0.740 349 E HN 0.404 nan 8.360 nan 0.000 0.454 350 P HA -0.108 nan 4.420 nan 0.000 0.216 350 P C 0.626 177.866 177.300 -0.101 0.000 1.150 350 P CA 1.638 64.691 63.100 -0.079 0.000 0.837 350 P CB -0.008 31.651 31.700 -0.067 0.000 0.786 351 D N -0.930 119.379 120.400 -0.151 0.000 2.117 351 D HA -0.086 4.558 4.640 0.007 0.000 0.198 351 D C 2.038 178.242 176.300 -0.159 0.000 0.982 351 D CA 1.040 54.948 54.000 -0.155 0.000 0.828 351 D CB -0.561 40.121 40.800 -0.197 0.000 0.967 351 D HN -0.027 nan 8.370 nan 0.000 0.464 352 V N 1.333 121.147 119.914 -0.166 0.000 2.332 352 V HA -0.264 3.860 4.120 0.007 0.000 0.248 352 V C 2.526 178.506 176.094 -0.189 0.000 1.055 352 V CA 1.626 63.821 62.300 -0.175 0.000 1.038 352 V CB -0.529 31.219 31.823 -0.126 0.000 0.651 352 V HN 0.197 nan 8.190 nan 0.000 0.450 353 Q N -0.542 119.163 119.800 -0.158 0.000 2.079 353 Q HA -0.221 4.122 4.340 0.007 0.000 0.200 353 Q C 2.509 178.438 176.000 -0.118 0.000 0.974 353 Q CA 1.662 57.355 55.803 -0.184 0.000 0.840 353 Q CB -0.238 28.440 28.738 -0.100 0.000 0.898 353 Q HN 0.538 nan 8.270 nan 0.000 0.430 354 R N 0.689 121.143 120.500 -0.076 0.000 2.081 354 R HA -0.132 4.212 4.340 0.007 0.000 0.235 354 R C 2.114 178.428 176.300 0.023 0.000 1.131 354 R CA 1.192 57.279 56.100 -0.023 0.000 0.960 354 R CB -0.143 30.136 30.300 -0.036 0.000 0.856 354 R HN 0.230 nan 8.270 nan 0.000 0.436 355 I N 0.675 121.229 120.570 -0.027 0.000 2.252 355 I HA -0.292 3.882 4.170 0.007 0.000 0.245 355 I C 2.159 178.335 176.117 0.098 0.000 1.102 355 I CA 1.098 62.413 61.300 0.024 0.000 1.385 355 I CB -0.170 37.787 38.000 -0.072 0.000 1.064 355 I HN 0.229 nan 8.210 nan 0.000 0.414 356 L N 0.463 121.691 121.223 0.008 0.000 2.083 356 L HA -0.199 4.145 4.340 0.007 0.000 0.209 356 L C 2.739 179.777 176.870 0.279 0.000 1.083 356 L CA 1.387 56.270 54.840 0.073 0.000 0.752 356 L CB -0.647 41.357 42.059 -0.093 0.000 0.899 356 L HN 0.245 nan 8.230 nan 0.000 0.433 357 A N -0.468 122.478 122.820 0.210 0.000 2.016 357 A HA -0.133 4.191 4.320 0.007 0.000 0.217 357 A C 0.984 178.744 177.584 0.293 0.000 1.162 357 A CA -0.094 52.112 52.037 0.283 0.000 0.662 357 A CB -0.528 18.530 19.000 0.097 0.000 0.812 357 A HN 0.259 nan 8.150 nan 0.000 0.450 358 F N 1.816 121.829 119.950 0.106 0.000 2.612 358 F HA 0.296 4.823 4.527 -0.001 0.000 0.389 358 F C 1.490 177.367 175.800 0.127 0.000 1.055 358 F CA -0.148 57.908 58.000 0.095 0.000 1.232 358 F CB 0.103 39.148 39.000 0.075 0.000 1.044 358 F HN 0.124 nan 8.300 nan 0.000 0.560 359 G N 6.046 114.646 108.800 -0.334 0.000 2.681 359 G HA2 -0.294 3.670 3.960 0.007 0.000 0.220 359 G HA3 -0.294 3.670 3.960 0.007 0.000 0.220 359 G C -0.828 174.026 174.900 -0.077 0.000 1.210 359 G CA 0.992 45.977 45.100 -0.191 0.000 0.783 359 G HN 0.627 nan 8.290 nan 0.000 0.609 360 P HA 0.093 nan 4.420 nan 0.000 0.230 360 P C 0.490 177.757 177.300 -0.056 0.000 1.158 360 P CA 0.654 63.670 63.100 -0.140 0.000 0.769 360 P CB -0.052 31.535 31.700 -0.189 0.000 0.807 361 T N 1.726 116.302 114.554 0.037 0.000 2.817 361 T HA 0.169 4.523 4.350 0.007 0.000 0.295 361 T C 0.557 175.236 174.700 -0.035 0.000 0.958 361 T CA 0.358 62.508 62.100 0.084 0.000 1.157 361 T CB -0.177 68.800 68.868 0.183 0.000 0.898 361 T HN -0.033 nan 8.240 nan 0.000 0.536 362 M N 3.398 122.974 119.600 -0.040 0.000 2.368 362 M HA 0.466 4.950 4.480 0.007 0.000 0.311 362 M C -0.136 176.163 176.300 -0.002 0.000 1.168 362 M CA -1.011 54.251 55.300 -0.064 0.000 1.044 362 M CB 0.809 33.407 32.600 -0.003 0.000 1.506 362 M HN 0.242 nan 8.290 nan 0.000 0.475 363 I N 1.349 121.929 120.570 0.017 0.000 2.331 363 I HA 0.535 4.709 4.170 0.007 0.000 0.292 363 I C 0.412 176.608 176.117 0.132 0.000 0.998 363 I CA -0.241 61.067 61.300 0.014 0.000 1.267 363 I CB 0.524 38.487 38.000 -0.061 0.000 1.386 363 I HN 0.780 nan 8.210 nan 0.000 0.476 364 G N 2.810 111.656 108.800 0.077 0.000 2.662 364 G HA2 0.416 4.380 3.960 0.007 0.000 0.302 364 G HA3 0.416 4.380 3.960 0.007 0.000 0.302 364 G C 0.431 175.397 174.900 0.110 0.000 1.389 364 G CA -0.148 45.067 45.100 0.192 0.000 0.998 364 G HN 0.612 nan 8.290 nan 0.000 0.502 365 S N 1.148 116.915 115.700 0.113 0.000 2.414 365 S HA -0.025 4.449 4.470 0.007 0.000 0.227 365 S C 1.140 175.736 174.600 -0.007 0.000 1.022 365 S CA 1.280 59.486 58.200 0.011 0.000 0.958 365 S CB -0.089 63.139 63.200 0.045 0.000 0.797 365 S HN 0.751 nan 8.310 nan 0.000 0.493 366 D N 1.344 121.830 120.400 0.142 0.000 2.837 366 D HA -0.103 4.541 4.640 0.007 0.000 0.230 366 D C 0.277 176.585 176.300 0.013 0.000 1.152 366 D CA 1.001 55.132 54.000 0.218 0.000 0.736 366 D CB -1.640 39.213 40.800 0.088 0.000 1.084 366 D HN 0.693 nan 8.370 nan 0.000 0.429 367 G N 0.218 108.990 108.800 -0.047 0.000 2.432 367 G HA2 0.402 4.365 3.960 0.007 0.000 0.239 367 G HA3 0.402 4.365 3.960 0.007 0.000 0.239 367 G C 0.426 175.299 174.900 -0.045 0.000 1.291 367 G CA -0.408 44.621 45.100 -0.118 0.000 0.863 367 G HN 0.321 nan 8.290 nan 0.000 0.560 368 L N 4.666 125.854 121.223 -0.058 0.000 2.387 368 L HA 0.249 4.593 4.340 0.007 0.000 0.259 368 L C -1.234 175.566 176.870 -0.117 0.000 1.050 368 L CA -1.672 53.163 54.840 -0.010 0.000 0.922 368 L CB 2.196 44.288 42.059 0.056 0.000 1.280 368 L HN 0.480 nan 8.230 nan 0.000 0.449 369 P HA -0.157 nan 4.420 nan 0.000 0.225 369 P C 0.797 177.806 177.300 -0.484 0.000 1.148 369 P CA 1.388 64.103 63.100 -0.642 0.000 0.779 369 P CB 0.221 31.142 31.700 -1.298 0.000 0.780 370 H N -1.490 117.542 119.070 -0.063 0.000 2.563 370 H HA 0.124 4.684 4.556 0.007 0.000 0.264 370 H C 0.262 175.543 175.328 -0.079 0.000 0.957 370 H CA -0.241 55.795 56.048 -0.019 0.000 1.173 370 H CB -0.390 29.341 29.762 -0.053 0.000 1.420 370 H HN 0.093 nan 8.280 nan 0.000 0.551 371 D N 0.995 121.419 120.400 0.039 0.000 2.493 371 D HA -0.073 4.571 4.640 0.007 0.000 0.240 371 D C 1.491 177.863 176.300 0.121 0.000 1.142 371 D CA 0.265 54.330 54.000 0.108 0.000 0.872 371 D CB 0.965 41.886 40.800 0.203 0.000 1.173 371 D HN 0.313 nan 8.370 nan 0.000 0.467 372 E N 2.206 122.505 120.200 0.165 0.000 2.058 372 E HA -0.157 4.197 4.350 0.007 0.000 0.194 372 E C 0.003 176.677 176.600 0.122 0.000 0.997 372 E CA 1.350 57.835 56.400 0.142 0.000 0.801 372 E CB 0.362 30.168 29.700 0.176 0.000 0.746 372 E HN 0.148 nan 8.360 nan 0.000 0.450 373 R N 1.061 121.644 120.500 0.139 0.000 2.443 373 R HA 0.325 4.669 4.340 0.007 0.000 0.287 373 R C -2.434 173.932 176.300 0.110 0.000 1.425 373 R CA -2.160 53.999 56.100 0.097 0.000 1.300 373 R CB 1.013 31.359 30.300 0.077 0.000 1.129 373 R HN 0.274 nan 8.270 nan 0.000 0.577 374 P HA 0.025 nan 4.420 nan 0.000 0.274 374 P C -0.313 177.051 177.300 0.107 0.000 1.246 374 P CA -0.321 62.849 63.100 0.117 0.000 0.795 374 P CB 0.797 32.568 31.700 0.118 0.000 1.006 375 H N 3.296 122.351 119.070 -0.025 0.000 2.886 375 H HA 0.063 4.622 4.556 0.006 0.000 0.329 375 H C -1.304 173.886 175.328 -0.230 0.000 1.044 375 H CA -1.522 54.462 56.048 -0.108 0.000 1.456 375 H CB 0.617 30.274 29.762 -0.176 0.000 1.464 375 H HN 0.245 nan 8.280 nan 0.000 0.573 376 P HA -0.174 nan 4.420 nan 0.000 0.226 376 P C 1.101 178.312 177.300 -0.148 0.000 1.146 376 P CA 0.975 63.964 63.100 -0.185 0.000 0.773 376 P CB -0.002 31.446 31.700 -0.420 0.000 0.772 377 R N -0.025 120.268 120.500 -0.345 0.000 2.200 377 R HA -0.108 4.236 4.340 0.007 0.000 0.234 377 R C 2.133 178.345 176.300 -0.147 0.000 1.127 377 R CA 0.915 56.745 56.100 -0.451 0.000 0.989 377 R CB -1.616 28.180 30.300 -0.839 0.000 0.869 377 R HN 0.153 nan 8.270 nan 0.000 0.459 378 L N -0.073 121.083 121.223 -0.112 0.000 2.127 378 L HA -0.069 4.275 4.340 0.007 0.000 0.211 378 L C 1.009 177.755 176.870 -0.207 0.000 1.089 378 L CA 1.633 56.383 54.840 -0.150 0.000 0.757 378 L CB -0.250 41.739 42.059 -0.116 0.000 0.899 378 L HN 0.236 nan 8.230 nan 0.000 0.434 379 W N -2.056 119.202 121.300 -0.071 0.000 2.975 379 W HA 0.425 5.088 4.660 0.006 0.000 0.316 379 W C 1.875 178.403 176.519 0.015 0.000 1.131 379 W CA 0.317 57.640 57.345 -0.038 0.000 1.624 379 W CB 0.223 29.656 29.460 -0.045 0.000 1.038 379 W HN 0.125 nan 8.180 nan 0.000 0.571 380 G N -1.282 107.661 108.800 0.238 0.000 3.342 380 G HA2 0.022 3.986 3.960 0.007 0.000 0.252 380 G HA3 0.022 3.986 3.960 0.007 0.000 0.252 380 G C 1.179 176.196 174.900 0.195 0.000 1.011 380 G CA 0.461 45.696 45.100 0.225 0.000 0.869 380 G HN -0.072 nan 8.290 nan 0.000 0.514 381 T N 1.422 116.063 114.554 0.145 0.000 2.597 381 T HA -0.188 4.166 4.350 0.007 0.000 0.267 381 T C 1.927 176.441 174.700 -0.310 0.000 1.053 381 T CA 1.635 63.695 62.100 -0.067 0.000 1.165 381 T CB -0.343 68.323 68.868 -0.337 0.000 0.863 381 T HN 0.237 nan 8.240 nan 0.000 0.427 382 F N 0.976 120.937 119.950 0.017 0.000 2.113 382 F HA 0.083 4.614 4.527 0.007 0.000 0.297 382 F C -0.539 175.182 175.800 -0.132 0.000 1.103 382 F CA 0.499 58.426 58.000 -0.121 0.000 1.248 382 F CB -1.705 37.191 39.000 -0.174 0.000 0.999 382 F HN 0.207 nan 8.300 nan 0.000 0.475 383 P HA -0.121 nan 4.420 nan 0.000 0.221 383 P C 1.407 178.736 177.300 0.048 0.000 1.150 383 P CA 1.273 64.401 63.100 0.047 0.000 0.800 383 P CB -0.092 31.667 31.700 0.099 0.000 0.787 384 R N -0.176 120.352 120.500 0.046 0.000 2.092 384 R HA -0.075 4.269 4.340 0.007 0.000 0.231 384 R C 1.709 178.113 176.300 0.174 0.000 1.119 384 R CA 1.200 57.333 56.100 0.055 0.000 0.970 384 R CB -0.634 29.643 30.300 -0.038 0.000 0.864 384 R HN 0.019 nan 8.270 nan 0.000 0.440 385 V N 1.008 121.005 119.914 0.138 0.000 2.379 385 V HA -0.189 3.935 4.120 0.007 0.000 0.245 385 V C 2.198 178.431 176.094 0.232 0.000 1.044 385 V CA 1.443 63.889 62.300 0.244 0.000 1.036 385 V CB -0.238 31.617 31.823 0.052 0.000 0.664 385 V HN 0.322 nan 8.190 nan 0.000 0.453 386 L N -0.176 121.087 121.223 0.066 0.000 2.156 386 L HA 0.067 4.411 4.340 0.007 0.000 0.208 386 L C 2.326 179.267 176.870 0.117 0.000 1.095 386 L CA 1.467 56.335 54.840 0.047 0.000 0.770 386 L CB -0.839 41.125 42.059 -0.159 0.000 0.914 386 L HN 0.451 nan 8.230 nan 0.000 0.439 387 G N -1.398 107.464 108.800 0.105 0.000 2.726 387 G HA2 -0.183 3.781 3.960 0.007 0.000 0.221 387 G HA3 -0.183 3.781 3.960 0.007 0.000 0.221 387 G C 1.251 176.205 174.900 0.090 0.000 1.327 387 G CA 0.448 45.614 45.100 0.109 0.000 0.884 387 G HN 0.250 nan 8.290 nan 0.000 0.581 388 H N -0.305 118.731 119.070 -0.057 0.000 2.289 388 H HA -0.118 4.443 4.556 0.010 0.000 0.296 388 H C 2.279 177.462 175.328 -0.242 0.000 1.091 388 H CA 2.124 58.052 56.048 -0.200 0.000 1.274 388 H CB -0.326 29.215 29.762 -0.367 0.000 1.364 388 H HN 0.377 nan 8.280 nan 0.000 0.490 389 Y N -0.804 119.437 120.300 -0.097 0.000 2.206 389 Y HA -0.071 4.482 4.550 0.004 0.000 0.292 389 Y C 3.230 179.015 175.900 -0.193 0.000 1.123 389 Y CA 1.356 59.317 58.100 -0.233 0.000 1.142 389 Y CB -0.724 37.664 38.460 -0.121 0.000 1.006 389 Y HN 0.266 nan 8.280 nan 0.000 0.518 390 S N -0.206 115.623 115.700 0.215 0.000 2.336 390 S HA -0.138 4.336 4.470 0.007 0.000 0.216 390 S C 2.285 176.953 174.600 0.113 0.000 1.032 390 S CA 1.149 59.498 58.200 0.249 0.000 0.973 390 S CB -0.207 63.237 63.200 0.406 0.000 0.888 390 S HN 0.382 nan 8.310 nan 0.000 0.455 391 R N 0.355 120.917 120.500 0.103 0.000 2.055 391 R HA -0.062 4.282 4.340 0.007 0.000 0.228 391 R C 1.613 177.920 176.300 0.012 0.000 1.143 391 R CA 2.001 58.144 56.100 0.072 0.000 0.945 391 R CB -0.472 29.886 30.300 0.097 0.000 0.841 391 R HN 0.397 nan 8.270 nan 0.000 0.429 392 D N 0.271 120.651 120.400 -0.033 0.000 2.162 392 D HA -0.074 4.570 4.640 0.007 0.000 0.203 392 D C 1.839 178.059 176.300 -0.133 0.000 0.967 392 D CA 0.958 54.914 54.000 -0.074 0.000 0.840 392 D CB 0.141 40.901 40.800 -0.066 0.000 0.972 392 D HN 0.296 nan 8.370 nan 0.000 0.482 393 L N -0.463 120.631 121.223 -0.215 0.000 2.554 393 L HA 0.212 4.556 4.340 0.007 0.000 0.225 393 L C 1.168 177.959 176.870 -0.132 0.000 1.104 393 L CA 0.256 54.974 54.840 -0.204 0.000 0.866 393 L CB 0.185 42.059 42.059 -0.308 0.000 1.047 393 L HN 0.067 nan 8.230 nan 0.000 0.468 394 G N 1.094 109.833 108.800 -0.100 0.000 2.249 394 G HA2 -0.322 3.642 3.960 0.007 0.000 0.273 394 G HA3 -0.322 3.642 3.960 0.007 0.000 0.273 394 G C 0.772 175.593 174.900 -0.131 0.000 1.036 394 G CA 0.577 45.638 45.100 -0.065 0.000 0.824 394 G HN 0.285 nan 8.290 nan 0.000 0.504 395 L N -0.848 120.198 121.223 -0.295 0.000 2.131 395 L HA 0.367 4.711 4.340 0.007 0.000 0.210 395 L C 0.906 177.463 176.870 -0.523 0.000 1.092 395 L CA 2.091 56.609 54.840 -0.537 0.000 0.759 395 L CB -0.235 41.279 42.059 -0.909 0.000 0.903 395 L HN 0.640 nan 8.230 nan 0.000 0.435 396 F N -3.739 116.236 119.950 0.042 0.000 2.719 396 F HA 0.610 5.141 4.527 0.007 0.000 0.309 396 F C -2.788 173.041 175.800 0.049 0.000 1.138 396 F CA -3.186 54.839 58.000 0.042 0.000 0.943 396 F CB -0.477 38.554 39.000 0.053 0.000 1.304 396 F HN -0.365 nan 8.300 nan 0.000 0.445 397 P HA 0.112 nan 4.420 nan 0.000 0.272 397 P C 0.807 178.233 177.300 0.210 0.000 1.230 397 P CA -0.297 62.920 63.100 0.195 0.000 0.788 397 P CB 1.386 33.155 31.700 0.115 0.000 0.949 398 L N 1.779 123.111 121.223 0.182 0.000 2.079 398 L HA -0.208 4.136 4.340 0.007 0.000 0.210 398 L C 2.314 179.280 176.870 0.160 0.000 1.081 398 L CA 1.984 56.940 54.840 0.193 0.000 0.752 398 L CB -1.250 40.938 42.059 0.214 0.000 0.896 398 L HN 0.463 nan 8.230 nan 0.000 0.433 399 E N -2.007 118.270 120.200 0.128 0.000 2.204 399 E HA -0.184 4.170 4.350 0.007 0.000 0.194 399 E C 1.741 178.408 176.600 0.111 0.000 0.989 399 E CA 1.714 58.184 56.400 0.116 0.000 0.824 399 E CB -0.930 28.812 29.700 0.070 0.000 0.756 399 E HN 0.485 nan 8.360 nan 0.000 0.477 400 T N 1.284 115.878 114.554 0.068 0.000 2.896 400 T HA 0.117 4.471 4.350 0.007 0.000 0.263 400 T C 2.026 176.696 174.700 -0.051 0.000 1.050 400 T CA 1.349 63.482 62.100 0.056 0.000 1.140 400 T CB -0.188 68.694 68.868 0.023 0.000 0.877 400 T HN 0.402 nan 8.240 nan 0.000 0.457 401 A N 1.130 123.820 122.820 -0.217 0.000 1.902 401 A HA -0.052 4.272 4.320 0.007 0.000 0.217 401 A C 2.546 180.033 177.584 -0.161 0.000 1.181 401 A CA 1.319 53.106 52.037 -0.417 0.000 0.623 401 A CB -1.031 17.859 19.000 -0.185 0.000 0.818 401 A HN 0.344 nan 8.150 nan 0.000 0.443 402 V N -2.044 117.879 119.914 0.014 0.000 2.358 402 V HA -0.248 3.876 4.120 0.007 0.000 0.246 402 V C 2.191 178.362 176.094 0.130 0.000 1.047 402 V CA 1.845 64.198 62.300 0.088 0.000 1.035 402 V CB -0.956 31.013 31.823 0.243 0.000 0.658 402 V HN 0.888 nan 8.190 nan 0.000 0.452 403 W N 1.514 122.797 121.300 -0.028 0.000 2.342 403 W HA -0.201 4.463 4.660 0.007 0.000 0.297 403 W C 2.259 178.758 176.519 -0.033 0.000 1.213 403 W CA 1.682 59.017 57.345 -0.016 0.000 1.251 403 W CB -0.152 29.288 29.460 -0.034 0.000 1.136 403 W HN 0.097 nan 8.180 nan 0.000 0.526 404 K N -0.088 120.221 120.400 -0.151 0.000 2.442 404 K HA -0.115 4.209 4.320 0.007 0.000 0.198 404 K C 1.598 178.056 176.600 -0.236 0.000 1.042 404 K CA 1.462 57.534 56.287 -0.358 0.000 0.958 404 K CB -0.339 32.000 32.500 -0.268 0.000 0.766 404 K HN 0.423 nan 8.250 nan 0.000 0.474 405 M N -2.515 117.005 119.600 -0.133 0.000 2.416 405 M HA 0.194 4.678 4.480 0.007 0.000 0.337 405 M C 0.621 176.938 176.300 0.028 0.000 1.074 405 M CA -0.164 55.127 55.300 -0.014 0.000 0.968 405 M CB 0.802 33.406 32.600 0.006 0.000 1.472 405 M HN -0.077 nan 8.290 nan 0.000 0.539 406 T N -3.549 110.998 114.554 -0.011 0.000 3.359 406 T HA 0.372 4.726 4.350 0.007 0.000 0.160 406 T C 1.686 176.392 174.700 0.009 0.000 0.924 406 T CA 0.685 62.825 62.100 0.066 0.000 0.951 406 T CB -0.734 68.239 68.868 0.174 0.000 1.404 406 T HN 0.178 nan 8.240 nan 0.000 0.309 407 G N 1.547 110.359 108.800 0.019 0.000 2.422 407 G HA2 -0.043 3.921 3.960 0.007 0.000 0.218 407 G HA3 -0.043 3.921 3.960 0.007 0.000 0.218 407 G C 1.527 176.357 174.900 -0.117 0.000 1.146 407 G CA 1.238 46.371 45.100 0.056 0.000 0.769 407 G HN 0.476 nan 8.290 nan 0.000 0.547 408 L N 1.047 121.906 121.223 -0.607 0.000 2.017 408 L HA -0.002 4.342 4.340 0.007 0.000 0.208 408 L C 2.860 179.565 176.870 -0.275 0.000 1.073 408 L CA 2.768 57.193 54.840 -0.692 0.000 0.745 408 L CB -1.099 40.070 42.059 -1.484 0.000 0.894 408 L HN 0.182 nan 8.230 nan 0.000 0.432 409 T N 0.095 114.539 114.554 -0.183 0.000 2.746 409 T HA -0.118 4.236 4.350 0.007 0.000 0.267 409 T C 1.932 176.734 174.700 0.170 0.000 1.039 409 T CA 1.321 63.458 62.100 0.061 0.000 1.142 409 T CB -0.661 68.258 68.868 0.085 0.000 0.866 409 T HN 0.518 nan 8.240 nan 0.000 0.444 410 A N 1.494 124.372 122.820 0.097 0.000 1.933 410 A HA 0.153 4.477 4.320 0.007 0.000 0.218 410 A C 2.640 180.295 177.584 0.119 0.000 1.175 410 A CA 1.810 53.924 52.037 0.129 0.000 0.628 410 A CB -1.068 18.007 19.000 0.126 0.000 0.814 410 A HN 0.515 nan 8.150 nan 0.000 0.444 411 A N -0.301 122.564 122.820 0.075 0.000 1.873 411 A HA -0.109 4.215 4.320 0.007 0.000 0.215 411 A C 2.035 179.623 177.584 0.007 0.000 1.186 411 A CA 1.718 53.789 52.037 0.056 0.000 0.616 411 A CB -0.307 18.728 19.000 0.059 0.000 0.823 411 A HN 0.326 nan 8.150 nan 0.000 0.442 412 K N -0.888 119.481 120.400 -0.052 0.000 2.211 412 K HA 0.003 4.327 4.320 0.007 0.000 0.203 412 K C 1.040 177.440 176.600 -0.333 0.000 1.050 412 K CA 0.957 57.119 56.287 -0.208 0.000 0.945 412 K CB -0.485 31.821 32.500 -0.323 0.000 0.732 412 K HN 0.566 nan 8.250 nan 0.000 0.451 413 F N 0.150 120.100 119.950 0.001 0.000 2.727 413 F HA 0.217 4.748 4.527 0.006 0.000 0.302 413 F C 1.133 176.940 175.800 0.012 0.000 1.097 413 F CA 0.282 58.286 58.000 0.006 0.000 1.330 413 F CB 0.150 39.150 39.000 -0.001 0.000 1.084 413 F HN 0.167 nan 8.300 nan 0.000 0.578 414 G N 1.518 110.393 108.800 0.126 0.000 2.246 414 G HA2 -0.294 3.670 3.960 0.007 0.000 0.273 414 G HA3 -0.294 3.670 3.960 0.007 0.000 0.273 414 G C -0.012 174.944 174.900 0.094 0.000 1.055 414 G CA -0.270 44.884 45.100 0.091 0.000 0.851 414 G HN 0.302 nan 8.290 nan 0.000 0.500 415 L N 0.713 122.001 121.223 0.108 0.000 2.328 415 L HA 0.566 4.910 4.340 0.007 0.000 0.280 415 L C 1.228 178.131 176.870 0.055 0.000 1.111 415 L CA -0.206 54.680 54.840 0.076 0.000 0.909 415 L CB 0.568 42.673 42.059 0.076 0.000 1.277 415 L HN 0.410 nan 8.230 nan 0.000 0.433 416 A N 2.906 125.744 122.820 0.031 0.000 2.498 416 A HA 0.168 4.492 4.320 0.007 0.000 0.239 416 A C 1.004 178.537 177.584 -0.084 0.000 1.068 416 A CA 0.011 52.031 52.037 -0.027 0.000 0.766 416 A CB -0.067 18.920 19.000 -0.022 0.000 1.003 416 A HN 0.910 nan 8.150 nan 0.000 0.497 417 E N -0.391 119.571 120.200 -0.396 0.000 2.791 417 E HA -0.224 4.130 4.350 0.007 0.000 0.271 417 E C -0.053 176.394 176.600 -0.255 0.000 1.044 417 E CA 1.218 57.087 56.400 -0.885 0.000 0.814 417 E CB -1.305 28.031 29.700 -0.607 0.000 1.400 417 E HN 0.751 nan 8.360 nan 0.000 0.423 418 R N -1.304 119.226 120.500 0.050 0.000 2.888 418 R HA 0.542 4.886 4.340 0.007 0.000 0.264 418 R C 0.927 177.406 176.300 0.298 0.000 1.045 418 R CA -0.287 55.959 56.100 0.243 0.000 0.962 418 R CB 1.636 32.024 30.300 0.147 0.000 1.210 418 R HN 0.133 nan 8.270 nan 0.000 0.479 419 G N 0.450 109.394 108.800 0.240 0.000 2.176 419 G HA2 -0.278 3.686 3.960 0.007 0.000 0.253 419 G HA3 -0.278 3.686 3.960 0.007 0.000 0.253 419 G C -0.190 174.826 174.900 0.193 0.000 0.979 419 G CA 0.108 45.325 45.100 0.195 0.000 0.641 419 G HN 0.443 nan 8.290 nan 0.000 0.530 420 Q N -1.098 118.821 119.800 0.199 0.000 2.377 420 Q HA 0.545 4.889 4.340 0.007 0.000 0.279 420 Q C -0.703 175.265 176.000 -0.053 0.000 1.049 420 Q CA -0.954 54.863 55.803 0.024 0.000 0.825 420 Q CB 2.971 31.605 28.738 -0.172 0.000 1.401 420 Q HN 0.180 nan 8.270 nan 0.000 0.404 421 V N 3.165 123.043 119.914 -0.061 0.000 2.267 421 V HA 0.200 4.324 4.120 0.007 0.000 0.254 421 V C -0.385 175.612 176.094 -0.162 0.000 1.144 421 V CA -0.046 62.213 62.300 -0.068 0.000 0.992 421 V CB 0.017 31.828 31.823 -0.021 0.000 1.199 421 V HN 0.554 nan 8.190 nan 0.000 0.493 422 Q N 4.328 123.972 119.800 -0.260 0.000 2.359 422 Q HA 0.449 4.793 4.340 0.007 0.000 0.274 422 Q C -2.853 173.045 176.000 -0.170 0.000 1.074 422 Q CA -2.220 53.395 55.803 -0.313 0.000 0.810 422 Q CB 2.858 31.181 28.738 -0.692 0.000 1.342 422 Q HN 0.259 nan 8.270 nan 0.000 0.427 423 P HA 0.065 nan 4.420 nan 0.000 0.265 423 P C 0.688 177.995 177.300 0.011 0.000 1.193 423 P CA 1.219 64.279 63.100 -0.068 0.000 0.765 423 P CB 0.419 32.083 31.700 -0.060 0.000 0.823 424 G N 0.975 109.772 108.800 -0.005 0.000 2.234 424 G HA2 -0.253 3.711 3.960 0.007 0.000 0.235 424 G HA3 -0.253 3.711 3.960 0.007 0.000 0.235 424 G C -0.097 174.811 174.900 0.014 0.000 0.997 424 G CA -0.397 44.706 45.100 0.004 0.000 0.623 424 G HN 0.388 nan 8.290 nan 0.000 0.514 425 Y N 0.159 120.362 120.300 -0.161 0.000 2.326 425 Y HA 0.640 5.194 4.550 0.007 0.000 0.324 425 Y C 1.026 176.819 175.900 -0.177 0.000 1.291 425 Y CA -1.499 56.506 58.100 -0.158 0.000 1.348 425 Y CB 0.177 38.612 38.460 -0.041 0.000 1.294 425 Y HN 0.165 nan 8.280 nan 0.000 0.525 426 Y N -0.010 120.344 120.300 0.089 0.000 2.497 426 Y HA 0.273 4.826 4.550 0.006 0.000 0.334 426 Y C 0.640 176.576 175.900 0.060 0.000 1.199 426 Y CA -0.307 57.820 58.100 0.044 0.000 1.425 426 Y CB 0.411 38.882 38.460 0.018 0.000 1.291 426 Y HN 0.609 nan 8.280 nan 0.000 0.562 427 A N 3.276 126.220 122.820 0.207 0.000 3.077 427 A HA 0.152 4.476 4.320 0.007 0.000 0.255 427 A C -0.693 176.985 177.584 0.157 0.000 1.728 427 A CA -0.498 51.610 52.037 0.119 0.000 1.383 427 A CB -1.098 17.927 19.000 0.041 0.000 1.097 427 A HN 0.582 nan 8.150 nan 0.000 0.634 428 D N 1.161 121.654 120.400 0.155 0.000 2.317 428 D HA 0.599 5.243 4.640 0.007 0.000 0.234 428 D C -0.301 176.065 176.300 0.110 0.000 1.112 428 D CA 0.427 54.501 54.000 0.123 0.000 0.840 428 D CB 1.282 42.131 40.800 0.081 0.000 1.078 428 D HN 0.368 nan 8.370 nan 0.000 0.486 429 L N 1.026 122.335 121.223 0.143 0.000 2.415 429 L HA 0.613 4.957 4.340 0.007 0.000 0.256 429 L C -0.745 176.210 176.870 0.143 0.000 1.010 429 L CA -1.136 53.784 54.840 0.134 0.000 0.826 429 L CB 2.431 44.572 42.059 0.138 0.000 1.405 429 L HN -0.049 nan 8.230 nan 0.000 0.410 430 V N 1.553 121.514 119.914 0.079 0.000 2.735 430 V HA 0.510 4.634 4.120 0.007 0.000 0.310 430 V C -0.612 175.625 176.094 0.239 0.000 1.061 430 V CA -0.709 61.636 62.300 0.075 0.000 0.913 430 V CB 2.488 34.166 31.823 -0.241 0.000 1.005 430 V HN 0.403 nan 8.190 nan 0.000 0.428 431 V N 5.716 125.808 119.914 0.297 0.000 2.334 431 V HA 0.592 4.716 4.120 0.007 0.000 0.281 431 V C -0.550 175.753 176.094 0.348 0.000 1.016 431 V CA -0.382 62.073 62.300 0.258 0.000 0.832 431 V CB 0.776 32.777 31.823 0.297 0.000 0.999 431 V HN 0.773 nan 8.190 nan 0.000 0.439 432 F N 1.472 121.527 119.950 0.174 0.000 2.603 432 F HA 0.741 5.271 4.527 0.005 0.000 0.317 432 F C -0.555 175.336 175.800 0.151 0.000 1.066 432 F CA -1.296 56.820 58.000 0.194 0.000 0.941 432 F CB 1.511 40.653 39.000 0.237 0.000 1.291 432 F HN 0.339 nan 8.300 nan 0.000 0.472 433 D N 3.672 124.282 120.400 0.350 0.000 2.347 433 D HA 0.273 4.917 4.640 0.007 0.000 0.235 433 D C -1.673 174.823 176.300 0.327 0.000 1.149 433 D CA -2.483 51.635 54.000 0.197 0.000 0.850 433 D CB 1.853 42.758 40.800 0.176 0.000 1.061 433 D HN 0.339 nan 8.370 nan 0.000 0.487 434 P HA -0.114 nan 4.420 nan 0.000 0.220 434 P C 0.921 178.358 177.300 0.228 0.000 1.148 434 P CA 0.669 63.956 63.100 0.312 0.000 0.803 434 P CB 0.347 32.142 31.700 0.160 0.000 0.782 435 A N 0.101 123.014 122.820 0.156 0.000 2.016 435 A HA -0.038 4.286 4.320 0.007 0.000 0.217 435 A C 2.072 179.733 177.584 0.127 0.000 1.162 435 A CA 2.018 54.127 52.037 0.121 0.000 0.662 435 A CB -1.320 17.731 19.000 0.086 0.000 0.812 435 A HN 0.389 nan 8.150 nan 0.000 0.450 436 T N -4.226 110.421 114.554 0.154 0.000 2.985 436 T HA 0.272 4.626 4.350 0.007 0.000 0.254 436 T C 0.477 175.277 174.700 0.166 0.000 1.021 436 T CA 0.354 62.540 62.100 0.143 0.000 0.957 436 T CB -0.596 68.352 68.868 0.133 0.000 1.047 436 T HN 0.210 nan 8.240 nan 0.000 0.511 437 V N 2.525 122.570 119.914 0.219 0.000 2.584 437 V HA 0.522 4.645 4.120 0.007 0.000 0.303 437 V C 0.045 176.220 176.094 0.135 0.000 1.035 437 V CA 0.625 63.045 62.300 0.201 0.000 1.172 437 V CB -0.393 31.562 31.823 0.220 0.000 0.896 437 V HN 0.882 nan 8.190 nan 0.000 0.486 438 A N 5.459 128.350 122.820 0.118 0.000 2.599 438 A HA 0.590 4.914 4.320 0.007 0.000 0.294 438 A C -0.957 176.680 177.584 0.088 0.000 1.055 438 A CA -0.489 51.603 52.037 0.092 0.000 0.683 438 A CB 1.201 20.250 19.000 0.082 0.000 1.278 438 A HN 0.930 nan 8.150 nan 0.000 0.412 439 D N 1.149 121.590 120.400 0.068 0.000 2.350 439 D HA 0.388 5.032 4.640 0.007 0.000 0.249 439 D C 0.360 176.696 176.300 0.058 0.000 1.119 439 D CA 0.120 54.167 54.000 0.078 0.000 0.886 439 D CB 1.613 42.456 40.800 0.073 0.000 1.195 439 D HN 0.164 nan 8.370 nan 0.000 0.437 440 S N 0.364 116.107 115.700 0.071 0.000 2.524 440 S HA 0.257 4.731 4.470 0.007 0.000 0.222 440 S C 0.875 175.492 174.600 0.028 0.000 1.040 440 S CA -0.132 58.093 58.200 0.042 0.000 0.915 440 S CB 0.364 63.589 63.200 0.042 0.000 0.831 440 S HN 0.793 nan 8.310 nan 0.000 0.492 441 A N 2.757 125.603 122.820 0.044 0.000 2.477 441 A HA 0.513 4.837 4.320 0.007 0.000 0.246 441 A C 0.651 178.222 177.584 -0.021 0.000 1.078 441 A CA 0.040 52.083 52.037 0.010 0.000 0.770 441 A CB -0.047 18.982 19.000 0.048 0.000 1.011 441 A HN 0.382 nan 8.150 nan 0.000 0.494 442 T N -1.326 113.202 114.554 -0.043 0.000 2.888 442 T HA 0.589 4.943 4.350 0.007 0.000 0.288 442 T C 0.451 175.043 174.700 -0.181 0.000 1.063 442 T CA -0.449 61.596 62.100 -0.090 0.000 1.010 442 T CB 0.496 69.396 68.868 0.053 0.000 1.214 442 T HN 0.246 nan 8.240 nan 0.000 0.533 443 F N 0.726 120.677 119.950 0.001 0.000 2.216 443 F HA 0.060 4.590 4.527 0.005 0.000 0.300 443 F C 2.402 178.147 175.800 -0.091 0.000 1.085 443 F CA 1.278 59.251 58.000 -0.046 0.000 1.326 443 F CB -0.635 38.387 39.000 0.037 0.000 1.027 443 F HN 0.599 nan 8.300 nan 0.000 0.497 444 E N -1.417 118.784 120.200 0.002 0.000 2.107 444 E HA -0.089 4.265 4.350 0.007 0.000 0.191 444 E C 0.117 176.409 176.600 -0.514 0.000 0.982 444 E CA 1.129 57.365 56.400 -0.274 0.000 0.809 444 E CB -0.199 29.265 29.700 -0.393 0.000 0.756 444 E HN 0.447 nan 8.360 nan 0.000 0.459 445 H N -0.657 118.401 119.070 -0.020 0.000 2.423 445 H HA 0.167 4.726 4.556 0.006 0.000 0.237 445 H C -1.990 173.270 175.328 -0.113 0.000 1.391 445 H CA -1.601 54.407 56.048 -0.067 0.000 1.453 445 H CB 1.040 30.762 29.762 -0.066 0.000 1.484 445 H HN 0.047 nan 8.280 nan 0.000 0.505 446 P HA -0.094 nan 4.420 nan 0.000 0.242 446 P C 0.959 178.134 177.300 -0.209 0.000 1.197 446 P CA 0.873 63.914 63.100 -0.098 0.000 0.765 446 P CB 0.340 32.007 31.700 -0.055 0.000 0.936 447 T N -4.646 109.655 114.554 -0.421 0.000 3.129 447 T HA 0.166 4.520 4.350 0.007 0.000 0.267 447 T C 0.480 174.569 174.700 -1.019 0.000 1.018 447 T CA -0.352 61.056 62.100 -1.154 0.000 0.903 447 T CB -0.262 68.038 68.868 -0.947 0.000 1.067 447 T HN -0.159 nan 8.240 nan 0.000 0.549 448 E N 2.368 122.307 120.200 -0.435 0.000 2.384 448 E HA 0.281 4.635 4.350 0.007 0.000 0.266 448 E C 0.011 176.529 176.600 -0.137 0.000 1.012 448 E CA -0.116 56.137 56.400 -0.245 0.000 0.901 448 E CB 0.608 30.247 29.700 -0.101 0.000 0.967 448 E HN 0.273 nan 8.360 nan 0.000 0.435 449 R N 0.845 121.320 120.500 -0.042 0.000 2.543 449 R HA 0.286 4.630 4.340 0.007 0.000 0.277 449 R C 0.093 176.488 176.300 0.158 0.000 1.074 449 R CA -0.143 56.053 56.100 0.159 0.000 1.076 449 R CB 0.457 30.902 30.300 0.242 0.000 0.993 449 R HN 0.567 nan 8.270 nan 0.000 0.459 450 A N 1.889 124.820 122.820 0.186 0.000 2.466 450 A HA 0.490 4.814 4.320 0.007 0.000 0.238 450 A C 0.011 177.696 177.584 0.168 0.000 1.074 450 A CA 0.191 52.322 52.037 0.157 0.000 0.774 450 A CB 0.106 19.195 19.000 0.149 0.000 1.015 450 A HN 0.762 nan 8.150 nan 0.000 0.498 451 A N 0.122 123.032 122.820 0.149 0.000 2.282 451 A HA 0.649 4.973 4.320 0.007 0.000 0.319 451 A C 1.349 179.046 177.584 0.189 0.000 1.121 451 A CA 0.217 52.349 52.037 0.159 0.000 0.836 451 A CB 0.187 19.262 19.000 0.124 0.000 1.146 451 A HN 2.739 nan 8.150 nan 0.000 0.494 452 G N -0.468 108.460 108.800 0.213 0.000 2.162 452 G HA2 -0.176 3.788 3.960 0.007 0.000 0.260 452 G HA3 -0.176 3.788 3.960 0.007 0.000 0.260 452 G C 0.026 175.127 174.900 0.335 0.000 0.976 452 G CA 0.361 45.618 45.100 0.262 0.000 0.655 452 G HN 0.674 nan 8.290 nan 0.000 0.533 453 I N 1.828 122.590 120.570 0.320 0.000 2.282 453 I HA 0.238 4.412 4.170 0.007 0.000 0.290 453 I C 1.436 177.794 176.117 0.401 0.000 1.090 453 I CA -0.492 61.019 61.300 0.351 0.000 1.231 453 I CB 0.348 38.497 38.000 0.249 0.000 1.434 453 I HN 0.244 nan 8.210 nan 0.000 0.487 454 H N 5.549 124.785 119.070 0.277 0.000 2.307 454 H HA 0.016 4.576 4.556 0.006 0.000 0.303 454 H C 0.264 175.701 175.328 0.181 0.000 1.073 454 H CA 1.162 57.331 56.048 0.201 0.000 1.338 454 H CB 0.975 30.830 29.762 0.155 0.000 1.389 454 H HN 0.606 nan 8.280 nan 0.000 0.503 455 S N -0.358 115.502 115.700 0.266 0.000 2.570 455 S HA 0.569 5.042 4.470 0.007 0.000 0.270 455 S C -1.277 173.374 174.600 0.086 0.000 1.149 455 S CA -0.915 57.334 58.200 0.081 0.000 0.837 455 S CB 2.728 65.906 63.200 -0.036 0.000 1.124 455 S HN 0.023 nan 8.310 nan 0.000 0.465 456 V N 1.801 121.663 119.914 -0.088 0.000 2.686 456 V HA 0.557 4.681 4.120 0.007 0.000 0.306 456 V C -1.857 174.092 176.094 -0.242 0.000 1.065 456 V CA -0.601 61.664 62.300 -0.057 0.000 0.894 456 V CB 1.434 33.255 31.823 -0.003 0.000 1.004 456 V HN 0.939 nan 8.190 nan 0.000 0.424 457 Y N 2.514 122.844 120.300 0.051 0.000 2.409 457 Y HA 0.751 5.305 4.550 0.006 0.000 0.343 457 Y C -0.148 175.782 175.900 0.050 0.000 0.973 457 Y CA -1.048 57.092 58.100 0.066 0.000 1.064 457 Y CB 2.286 40.813 38.460 0.112 0.000 1.207 457 Y HN 0.350 nan 8.280 nan 0.000 0.452 458 V N 3.047 123.077 119.914 0.193 0.000 2.483 458 V HA 0.247 4.371 4.120 0.007 0.000 0.297 458 V C -0.369 175.800 176.094 0.125 0.000 1.027 458 V CA -1.464 60.904 62.300 0.113 0.000 0.855 458 V CB 1.194 33.052 31.823 0.059 0.000 0.995 458 V HN 0.976 nan 8.190 nan 0.000 0.424 459 N N 4.055 122.821 118.700 0.110 0.000 2.721 459 N HA -0.242 4.502 4.740 0.007 0.000 0.249 459 N C 1.142 176.752 175.510 0.167 0.000 1.072 459 N CA 0.917 54.040 53.050 0.121 0.000 0.710 459 N CB -0.784 37.729 38.487 0.043 0.000 0.993 459 N HN 1.389 nan 8.380 nan 0.000 0.547 460 G N -1.968 106.960 108.800 0.213 0.000 2.253 460 G HA2 -0.232 3.732 3.960 0.007 0.000 0.251 460 G HA3 -0.232 3.732 3.960 0.007 0.000 0.251 460 G C 0.218 175.352 174.900 0.389 0.000 0.998 460 G CA 0.357 45.618 45.100 0.268 0.000 0.621 460 G HN 1.017 nan 8.290 nan 0.000 0.524 461 A N 0.438 123.429 122.820 0.285 0.000 2.301 461 A HA 0.883 5.207 4.320 0.007 0.000 0.298 461 A C 0.678 178.374 177.584 0.186 0.000 1.185 461 A CA 0.874 53.045 52.037 0.222 0.000 0.830 461 A CB 0.909 19.978 19.000 0.116 0.000 1.112 461 A HN 2.055 nan 8.150 nan 0.000 0.508 462 A N 1.903 124.753 122.820 0.050 0.000 2.454 462 A HA 0.430 4.754 4.320 0.007 0.000 0.260 462 A C 1.072 178.557 177.584 -0.164 0.000 1.106 462 A CA 0.295 52.143 52.037 -0.315 0.000 0.780 462 A CB -0.167 18.564 19.000 -0.448 0.000 1.044 462 A HN 1.940 nan 8.150 nan 0.000 0.498 463 V N 0.027 119.888 119.914 -0.088 0.000 3.523 463 V HA 0.305 4.429 4.120 0.007 0.000 0.255 463 V C 0.493 176.738 176.094 0.252 0.000 1.226 463 V CA -0.060 62.309 62.300 0.115 0.000 1.092 463 V CB -0.323 31.631 31.823 0.218 0.000 0.817 463 V HN 0.848 nan 8.190 nan 0.000 0.458 464 W N 1.568 122.795 121.300 -0.121 0.000 2.715 464 W HA 0.684 5.349 4.660 0.007 0.000 0.331 464 W C -1.444 174.959 176.519 -0.194 0.000 1.031 464 W CA -0.398 56.895 57.345 -0.088 0.000 1.237 464 W CB 1.891 31.320 29.460 -0.051 0.000 1.378 464 W HN 0.238 nan 8.180 nan 0.000 0.454 465 E N 4.179 124.055 120.200 -0.541 0.000 2.352 465 E HA 0.072 4.426 4.350 0.007 0.000 0.280 465 E C -0.824 175.409 176.600 -0.613 0.000 0.930 465 E CA -0.706 55.387 56.400 -0.512 0.000 0.765 465 E CB 1.985 31.463 29.700 -0.370 0.000 1.219 465 E HN 0.367 nan 8.360 nan 0.000 0.434 466 D N 2.782 122.880 120.400 -0.503 0.000 2.701 466 D HA -0.179 4.465 4.640 0.007 0.000 0.235 466 D C -0.366 175.647 176.300 -0.478 0.000 1.155 466 D CA 0.956 54.721 54.000 -0.391 0.000 0.649 466 D CB -0.570 40.057 40.800 -0.287 0.000 1.050 466 D HN 0.535 nan 8.370 nan 0.000 0.425 467 Q N -2.126 117.279 119.800 -0.659 0.000 2.453 467 Q HA -0.244 4.100 4.340 0.007 0.000 0.294 467 Q C -0.252 175.118 176.000 -1.050 0.000 1.295 467 Q CA 1.665 57.063 55.803 -0.676 0.000 0.853 467 Q CB -1.688 26.988 28.738 -0.104 0.000 1.193 467 Q HN 0.593 nan 8.270 nan 0.000 0.461 468 S N -0.923 113.809 115.700 -1.614 0.000 2.547 468 S HA 0.633 5.107 4.470 0.007 0.000 0.270 468 S C -1.311 172.913 174.600 -0.626 0.000 1.150 468 S CA -0.882 56.756 58.200 -0.936 0.000 0.850 468 S CB 1.075 64.031 63.200 -0.407 0.000 1.118 468 S HN 0.232 nan 8.310 nan 0.000 0.461 469 F N 3.601 123.457 119.950 -0.156 0.000 2.495 469 F HA 0.357 4.887 4.527 0.006 0.000 0.365 469 F C 1.739 177.481 175.800 -0.097 0.000 1.090 469 F CA 0.309 58.342 58.000 0.055 0.000 1.235 469 F CB 1.065 40.154 39.000 0.147 0.000 1.119 469 F HN 0.731 nan 8.300 nan 0.000 0.562 470 T N 1.519 115.697 114.554 -0.625 0.000 3.055 470 T HA 0.243 4.596 4.350 0.007 0.000 0.265 470 T C 1.479 175.640 174.700 -0.898 0.000 1.111 470 T CA 0.608 62.326 62.100 -0.636 0.000 1.118 470 T CB -0.470 68.145 68.868 -0.421 0.000 0.909 470 T HN 1.517 nan 8.240 nan 0.000 0.501 471 G N 0.641 108.308 108.800 -1.889 0.000 2.176 471 G HA2 -0.196 3.768 3.960 0.007 0.000 0.232 471 G HA3 -0.196 3.768 3.960 0.007 0.000 0.232 471 G C -0.022 174.356 174.900 -0.871 0.000 0.986 471 G CA -0.278 44.038 45.100 -1.306 0.000 0.643 471 G HN 0.564 nan 8.290 nan 0.000 0.522 472 Q N 0.943 120.326 119.800 -0.695 0.000 2.344 472 Q HA 0.300 4.644 4.340 0.007 0.000 0.253 472 Q C -0.403 175.578 176.000 -0.031 0.000 1.050 472 Q CA 0.054 55.714 55.803 -0.237 0.000 0.912 472 Q CB 0.170 28.839 28.738 -0.116 0.000 1.258 472 Q HN 0.680 nan 8.270 nan 0.000 0.443 473 H N 0.844 120.022 119.070 0.180 0.000 2.820 473 H HA 0.256 4.815 4.556 0.006 0.000 0.248 473 H C 0.725 176.102 175.328 0.081 0.000 1.714 473 H CA -0.186 55.965 56.048 0.172 0.000 1.334 473 H CB 0.570 30.407 29.762 0.125 0.000 1.693 473 H HN 0.699 nan 8.280 nan 0.000 0.548 474 A N 2.590 125.500 122.820 0.151 0.000 2.275 474 A HA 0.206 4.530 4.320 0.007 0.000 0.212 474 A C 1.658 179.268 177.584 0.043 0.000 1.201 474 A CA 0.231 52.320 52.037 0.087 0.000 0.843 474 A CB 0.056 19.106 19.000 0.084 0.000 0.873 474 A HN 0.632 nan 8.150 nan 0.000 0.492 475 G N -0.007 108.815 108.800 0.037 0.000 2.544 475 G HA2 0.463 4.427 3.960 0.007 0.000 0.242 475 G HA3 0.463 4.427 3.960 0.007 0.000 0.242 475 G C -0.065 174.804 174.900 -0.052 0.000 1.247 475 G CA -0.430 44.657 45.100 -0.021 0.000 0.840 475 G HN 0.486 nan 8.290 nan 0.000 0.578 476 R N -0.063 120.383 120.500 -0.091 0.000 2.807 476 R HA 0.434 4.778 4.340 0.007 0.000 0.276 476 R C -1.019 175.212 176.300 -0.115 0.000 0.979 476 R CA -0.954 55.082 56.100 -0.106 0.000 0.928 476 R CB 2.501 32.720 30.300 -0.135 0.000 1.191 476 R HN 0.335 nan 8.270 nan 0.000 0.471 477 V N 4.187 124.035 119.914 -0.111 0.000 2.470 477 V HA 0.175 4.299 4.120 0.007 0.000 0.276 477 V C 0.272 176.317 176.094 -0.081 0.000 1.040 477 V CA -0.053 62.185 62.300 -0.103 0.000 1.008 477 V CB 0.501 32.256 31.823 -0.113 0.000 0.990 477 V HN 0.446 nan 8.190 nan 0.000 0.477 478 L N 5.261 126.443 121.223 -0.069 0.000 2.375 478 L HA 0.549 4.893 4.340 0.007 0.000 0.268 478 L C 0.096 176.958 176.870 -0.013 0.000 1.058 478 L CA -0.434 54.372 54.840 -0.056 0.000 0.803 478 L CB 1.103 43.123 42.059 -0.065 0.000 1.212 478 L HN 0.613 nan 8.230 nan 0.000 0.451 479 N N -0.364 118.335 118.700 -0.001 0.000 2.272 479 N HA 0.610 5.354 4.740 0.007 0.000 0.305 479 N C -0.242 175.290 175.510 0.036 0.000 1.103 479 N CA -0.728 52.337 53.050 0.025 0.000 0.791 479 N CB 1.620 40.122 38.487 0.025 0.000 1.356 479 N HN 0.633 nan 8.380 nan 0.000 0.486 480 R N 0.000 120.531 120.500 0.052 0.000 2.786 480 R HA 0.000 4.344 4.340 0.007 0.000 0.208 480 R CA 0.000 56.137 56.100 0.062 0.000 0.921 480 R CB 0.000 30.345 30.300 0.075 0.000 0.687 480 R HN 0.000 nan 8.270 nan 0.000 0.535