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 2paj_1_A DATA FIRST_RESID 10 DATA SEQUENCE PSTLIRNAAA IMTGGRGTAD DPSRVPGPDI RIVGDTIDAI GALAPRPGET DATA SEQUENCE IVDATDCVIY PAWVNTHHHL FQSLLKGEPX XXXXXXXXXX XXXXXXFRAL DATA SEQUENCE FDERRFRLAA RIGLIELARS GCATVADHNY VYYPGMPFDS SAILFEEAEK DATA SEQUENCE LGLRFVLLRG GATQTRQLEA DLPTALRPET LDAYVADIER LAARYHDASP DATA SEQUENCE RAMRRVVMAP TTVLYSISPR EMRETAAVAR RLGLRMHSHL SXXXXXXXXX DATA SEQUENCE XXXXGKSPVA FCGEHDWLGS DVWYAHLVKV DADEIALLAQ TGTGVAHCPQ DATA SEQUENCE SNGRLXXXXX PVREMADAGV PVSIGVDGAA SNEAADMISE VHMTWLAQRA DATA SEQUENCE RLXXXXXXXX XXXXXXXXXX XASIAEVIHW GTAGGARVMG LDEVGKVAVG DATA SEQUENCE YAADIAVYRL DDPRYFGLHD PAIGPVASGG RPSVMALFSA GKRVVVDDLI DATA SEQUENCE EGVDIKELGG EARRVVRELL REVVV 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 10 P HA 0.000 nan 4.420 nan 0.000 0.216 10 P C 0.000 177.295 177.300 -0.008 0.000 1.155 10 P CA 0.000 63.102 63.100 0.003 0.000 0.800 10 P CB 0.000 31.703 31.700 0.005 0.000 0.726 11 S N 0.003 115.697 115.700 -0.011 0.000 2.549 11 S HA 0.883 5.353 4.470 0.000 0.000 0.280 11 S C -0.909 173.673 174.600 -0.031 0.000 1.109 11 S CA -0.161 58.023 58.200 -0.026 0.000 0.905 11 S CB 1.516 64.702 63.200 -0.023 0.000 1.081 11 S HN 0.095 nan 8.310 nan 0.000 0.477 12 T N 3.283 117.801 114.554 -0.061 0.000 2.916 12 T HA 0.576 4.926 4.350 0.000 0.000 0.305 12 T C -1.759 172.888 174.700 -0.089 0.000 1.119 12 T CA -0.449 61.610 62.100 -0.067 0.000 1.008 12 T CB 1.472 70.283 68.868 -0.094 0.000 1.129 12 T HN 0.492 nan 8.240 nan 0.000 0.480 13 L N 3.256 124.444 121.223 -0.059 0.000 2.372 13 L HA 0.632 4.972 4.340 0.000 0.000 0.273 13 L C -1.197 175.647 176.870 -0.044 0.000 0.989 13 L CA -0.505 54.300 54.840 -0.058 0.000 0.841 13 L CB 0.792 42.830 42.059 -0.036 0.000 1.225 13 L HN 0.646 nan 8.230 nan 0.000 0.414 14 I N 5.462 125.994 120.570 -0.063 0.000 2.352 14 I HA 0.371 4.541 4.170 0.000 0.000 0.290 14 I C 0.057 176.160 176.117 -0.024 0.000 1.036 14 I CA -0.293 60.989 61.300 -0.030 0.000 1.336 14 I CB 0.438 38.410 38.000 -0.046 0.000 1.407 14 I HN 0.554 nan 8.210 nan 0.000 0.497 15 R N 4.184 124.679 120.500 -0.009 0.000 2.778 15 R HA 0.392 4.732 4.340 0.000 0.000 0.277 15 R C 0.007 176.303 176.300 -0.006 0.000 0.977 15 R CA -1.128 54.965 56.100 -0.010 0.000 0.950 15 R CB 0.871 31.166 30.300 -0.009 0.000 1.165 15 R HN 0.574 nan 8.270 nan 0.000 0.474 16 N N 0.198 118.893 118.700 -0.008 0.000 2.727 16 N HA -0.204 4.536 4.740 0.000 0.000 0.251 16 N C -1.354 174.153 175.510 -0.004 0.000 1.040 16 N CA 0.699 53.746 53.050 -0.006 0.000 0.712 16 N CB -0.552 37.931 38.487 -0.005 0.000 0.912 16 N HN 0.796 nan 8.380 nan 0.000 0.545 17 A N 0.229 123.047 122.820 -0.004 0.000 2.388 17 A HA 0.677 4.997 4.320 0.000 0.000 0.257 17 A C 1.514 179.100 177.584 0.004 0.000 1.095 17 A CA 0.227 52.265 52.037 0.002 0.000 0.791 17 A CB 0.468 19.470 19.000 0.002 0.000 1.029 17 A HN 0.725 nan 8.150 nan 0.000 0.489 18 A N 1.619 124.445 122.820 0.009 0.000 2.014 18 A HA 0.482 4.802 4.320 0.000 0.000 0.218 18 A C 1.095 178.689 177.584 0.016 0.000 1.163 18 A CA 1.616 53.660 52.037 0.011 0.000 0.652 18 A CB -0.291 18.717 19.000 0.012 0.000 0.808 18 A HN 2.305 nan 8.150 nan 0.000 0.449 19 A N -1.181 121.655 122.820 0.026 0.000 2.594 19 A HA 0.643 4.963 4.320 0.000 0.000 0.296 19 A C -1.311 176.296 177.584 0.037 0.000 1.061 19 A CA -0.433 51.622 52.037 0.030 0.000 0.689 19 A CB 0.654 19.684 19.000 0.049 0.000 1.280 19 A HN 0.298 nan 8.150 nan 0.000 0.406 20 I N 2.799 123.374 120.570 0.008 0.000 2.517 20 I HA 0.278 4.448 4.170 0.000 0.000 0.280 20 I C -0.772 175.309 176.117 -0.061 0.000 1.061 20 I CA -0.467 60.826 61.300 -0.011 0.000 1.091 20 I CB 1.681 39.665 38.000 -0.028 0.000 1.205 20 I HN 0.500 nan 8.210 nan 0.000 0.459 21 M N 4.211 123.747 119.600 -0.107 0.000 2.144 21 M HA 0.276 4.756 4.480 0.000 0.000 0.356 21 M C 1.110 177.290 176.300 -0.200 0.000 1.217 21 M CA -0.161 55.004 55.300 -0.224 0.000 1.087 21 M CB 0.695 32.995 32.600 -0.500 0.000 1.609 21 M HN 0.452 nan 8.290 nan 0.000 0.467 22 T N 0.455 114.908 114.554 -0.170 0.000 3.043 22 T HA 0.140 4.490 4.350 0.000 0.000 0.263 22 T C 1.250 175.858 174.700 -0.154 0.000 1.094 22 T CA 0.874 62.880 62.100 -0.157 0.000 1.127 22 T CB -0.014 68.770 68.868 -0.140 0.000 0.905 22 T HN 1.008 nan 8.240 nan 0.000 0.490 23 G N 1.440 110.157 108.800 -0.138 0.000 2.160 23 G HA2 -0.090 3.870 3.960 0.000 0.000 0.244 23 G HA3 -0.090 3.870 3.960 0.000 0.000 0.244 23 G C 0.295 175.234 174.900 0.065 0.000 1.022 23 G CA -0.254 44.822 45.100 -0.040 0.000 0.741 23 G HN 0.872 nan 8.290 nan 0.000 0.508 24 G N -1.287 107.477 108.800 -0.060 0.000 2.477 24 G HA2 0.557 4.517 3.960 0.000 0.000 0.304 24 G HA3 0.557 4.517 3.960 0.000 0.000 0.304 24 G C 0.792 175.506 174.900 -0.309 0.000 1.175 24 G CA -0.692 44.335 45.100 -0.122 0.000 0.907 24 G HN 0.350 nan 8.290 nan 0.000 0.509 25 R N 0.358 120.590 120.500 -0.446 0.000 2.369 25 R HA 0.053 4.393 4.340 0.000 0.000 0.200 25 R C 1.733 177.873 176.300 -0.268 0.000 1.046 25 R CA 0.648 56.431 56.100 -0.530 0.000 1.057 25 R CB -0.106 29.972 30.300 -0.371 0.000 0.888 25 R HN 0.957 nan 8.270 nan 0.000 0.474 26 G N 1.560 110.242 108.800 -0.198 0.000 2.166 26 G HA2 -0.352 3.608 3.960 0.000 0.000 0.260 26 G HA3 -0.352 3.608 3.960 0.000 0.000 0.260 26 G C 0.433 175.276 174.900 -0.094 0.000 0.986 26 G CA 0.873 45.895 45.100 -0.131 0.000 0.683 26 G HN 0.524 nan 8.290 nan 0.000 0.527 27 T N -3.498 111.003 114.554 -0.089 0.000 2.849 27 T HA 0.755 5.105 4.350 0.000 0.000 0.276 27 T C 1.753 176.425 174.700 -0.047 0.000 0.971 27 T CA 0.432 62.497 62.100 -0.058 0.000 0.949 27 T CB 1.571 70.410 68.868 -0.048 0.000 1.093 27 T HN 1.271 nan 8.240 nan 0.000 0.545 28 A N 0.339 123.140 122.820 -0.033 0.000 2.015 28 A HA 0.007 4.327 4.320 0.000 0.000 0.219 28 A C 1.780 179.349 177.584 -0.024 0.000 1.163 28 A CA 1.473 53.494 52.037 -0.026 0.000 0.646 28 A CB -0.936 18.053 19.000 -0.018 0.000 0.806 28 A HN 0.870 nan 8.150 nan 0.000 0.448 29 D N -0.411 119.975 120.400 -0.023 0.000 2.137 29 D HA 0.025 4.665 4.640 0.000 0.000 0.202 29 D C 0.175 176.462 176.300 -0.022 0.000 0.970 29 D CA 1.137 55.127 54.000 -0.016 0.000 0.837 29 D CB -0.110 40.684 40.800 -0.009 0.000 0.981 29 D HN 0.395 nan 8.370 nan 0.000 0.475 30 D N 0.689 121.066 120.400 -0.039 0.000 2.441 30 D HA 0.180 4.820 4.640 0.000 0.000 0.287 30 D C -2.699 173.553 176.300 -0.081 0.000 1.198 30 D CA -2.424 51.542 54.000 -0.056 0.000 0.894 30 D CB 1.078 41.842 40.800 -0.060 0.000 1.070 30 D HN -0.117 nan 8.370 nan 0.000 0.499 31 P HA 0.004 nan 4.420 nan 0.000 0.266 31 P C 0.725 177.965 177.300 -0.099 0.000 1.195 31 P CA 0.027 63.081 63.100 -0.078 0.000 0.768 31 P CB 1.329 32.992 31.700 -0.062 0.000 0.838 32 S N 2.719 118.356 115.700 -0.106 0.000 2.478 32 S HA 0.037 4.507 4.470 0.000 0.000 0.222 32 S C 0.854 175.379 174.600 -0.124 0.000 1.008 32 S CA 0.019 58.145 58.200 -0.124 0.000 0.928 32 S CB 0.133 63.254 63.200 -0.131 0.000 0.781 32 S HN 0.518 nan 8.310 nan 0.000 0.518 33 R N 0.189 120.630 120.500 -0.099 0.000 2.574 33 R HA 0.579 4.919 4.340 0.000 0.000 0.288 33 R C -2.148 174.111 176.300 -0.069 0.000 1.004 33 R CA -0.542 55.505 56.100 -0.090 0.000 0.895 33 R CB 2.313 32.568 30.300 -0.076 0.000 1.191 33 R HN 0.144 nan 8.270 nan 0.000 0.444 34 V N 6.517 126.393 119.914 -0.064 0.000 2.284 34 V HA 0.438 4.558 4.120 0.000 0.000 0.274 34 V C -2.446 173.625 176.094 -0.039 0.000 1.023 34 V CA -2.356 59.913 62.300 -0.051 0.000 0.808 34 V CB 1.545 33.336 31.823 -0.055 0.000 1.035 34 V HN 0.718 nan 8.190 nan 0.000 0.445 35 P HA 0.409 nan 4.420 nan 0.000 0.264 35 P C 0.069 177.355 177.300 -0.023 0.000 1.236 35 P CA 0.600 63.686 63.100 -0.024 0.000 0.811 35 P CB 0.530 32.218 31.700 -0.020 0.000 0.840 36 G N 4.089 112.876 108.800 -0.022 0.000 2.646 36 G HA2 0.500 4.460 3.960 0.000 0.000 0.291 36 G HA3 0.500 4.460 3.960 0.000 0.000 0.291 36 G C -2.783 172.105 174.900 -0.020 0.000 1.445 36 G CA -0.817 44.270 45.100 -0.022 0.000 0.814 36 G HN 0.120 nan 8.290 nan 0.000 0.495 37 P HA 0.241 nan 4.420 nan 0.000 0.242 37 P C -0.530 176.759 177.300 -0.019 0.000 1.104 37 P CA 0.358 63.448 63.100 -0.016 0.000 0.987 37 P CB 1.677 33.368 31.700 -0.014 0.000 1.076 38 D N 0.596 120.982 120.400 -0.023 0.000 2.384 38 D HA 0.523 5.163 4.640 0.000 0.000 0.250 38 D C -0.005 176.271 176.300 -0.039 0.000 1.029 38 D CA -0.347 53.636 54.000 -0.029 0.000 0.990 38 D CB 2.206 42.990 40.800 -0.027 0.000 1.175 38 D HN 0.007 nan 8.370 nan 0.000 0.532 39 I N 0.635 121.173 120.570 -0.052 0.000 2.548 39 I HA 0.234 4.404 4.170 0.000 0.000 0.287 39 I C -0.393 175.669 176.117 -0.091 0.000 1.103 39 I CA -0.696 60.561 61.300 -0.071 0.000 1.049 39 I CB 2.584 40.531 38.000 -0.088 0.000 1.232 39 I HN 0.040 nan 8.210 nan 0.000 0.429 40 R N 6.794 127.246 120.500 -0.080 0.000 2.346 40 R HA 0.757 5.097 4.340 0.000 0.000 0.311 40 R C -1.459 174.779 176.300 -0.103 0.000 0.983 40 R CA -0.373 55.677 56.100 -0.084 0.000 0.880 40 R CB 1.192 31.458 30.300 -0.056 0.000 1.100 40 R HN 0.613 nan 8.270 nan 0.000 0.453 41 I N 4.685 125.177 120.570 -0.130 0.000 2.436 41 I HA 0.277 4.447 4.170 0.000 0.000 0.289 41 I C -0.943 175.118 176.117 -0.093 0.000 1.010 41 I CA -1.042 60.175 61.300 -0.139 0.000 1.098 41 I CB 2.152 40.002 38.000 -0.250 0.000 1.266 41 I HN 0.339 nan 8.210 nan 0.000 0.434 42 V N 7.279 127.155 119.914 -0.063 0.000 2.376 42 V HA 0.805 4.925 4.120 0.000 0.000 0.287 42 V C 0.532 176.607 176.094 -0.031 0.000 1.015 42 V CA 0.860 63.136 62.300 -0.041 0.000 0.834 42 V CB 0.413 32.218 31.823 -0.030 0.000 1.001 42 V HN 1.076 nan 8.190 nan 0.000 0.428 43 G N 6.075 114.861 108.800 -0.022 0.000 2.536 43 G HA2 -0.294 3.666 3.960 0.000 0.000 0.277 43 G HA3 -0.294 3.666 3.960 0.000 0.000 0.277 43 G C 0.474 175.370 174.900 -0.007 0.000 1.155 43 G CA 0.601 45.696 45.100 -0.009 0.000 0.960 43 G HN 1.313 nan 8.290 nan 0.000 0.544 44 D N 0.833 121.231 120.400 -0.002 0.000 2.402 44 D HA 0.294 4.934 4.640 0.000 0.000 0.216 44 D C 0.594 176.893 176.300 -0.001 0.000 1.128 44 D CA 1.094 55.098 54.000 0.007 0.000 0.833 44 D CB 0.189 40.999 40.800 0.018 0.000 0.971 44 D HN 0.480 nan 8.370 nan 0.000 0.503 45 T N 0.715 115.259 114.554 -0.016 0.000 2.908 45 T HA 0.462 4.812 4.350 0.000 0.000 0.290 45 T C 0.306 174.990 174.700 -0.027 0.000 1.034 45 T CA -0.626 61.468 62.100 -0.011 0.000 1.010 45 T CB 2.174 71.036 68.868 -0.010 0.000 1.068 45 T HN -0.013 nan 8.240 nan 0.000 0.481 46 I N 2.254 122.819 120.570 -0.007 0.000 2.379 46 I HA 0.122 4.292 4.170 0.000 0.000 0.290 46 I C 0.899 177.008 176.117 -0.014 0.000 1.063 46 I CA 0.049 61.335 61.300 -0.025 0.000 1.351 46 I CB 0.818 38.817 38.000 -0.001 0.000 1.410 46 I HN 0.736 nan 8.210 nan 0.000 0.505 47 D N 4.661 125.040 120.400 -0.034 0.000 2.216 47 D HA 0.230 4.870 4.640 0.000 0.000 0.208 47 D C 0.281 176.569 176.300 -0.021 0.000 0.960 47 D CA 0.643 54.628 54.000 -0.025 0.000 0.861 47 D CB 0.525 41.305 40.800 -0.034 0.000 0.985 47 D HN 0.651 nan 8.370 nan 0.000 0.493 48 A N -0.738 122.064 122.820 -0.029 0.000 2.601 48 A HA 0.646 4.966 4.320 0.000 0.000 0.291 48 A C -1.735 175.830 177.584 -0.033 0.000 1.075 48 A CA -0.652 51.370 52.037 -0.025 0.000 0.671 48 A CB 0.952 19.937 19.000 -0.025 0.000 1.277 48 A HN 0.056 nan 8.150 nan 0.000 0.417 49 I N 0.546 121.099 120.570 -0.028 0.000 2.571 49 I HA 0.618 4.788 4.170 0.000 0.000 0.289 49 I C 0.274 176.374 176.117 -0.027 0.000 1.115 49 I CA 0.050 61.331 61.300 -0.033 0.000 1.045 49 I CB 2.232 40.210 38.000 -0.036 0.000 1.238 49 I HN 1.698 nan 8.210 nan 0.000 0.424 50 G N 4.802 113.585 108.800 -0.028 0.000 3.391 50 G HA2 0.359 4.319 3.960 0.000 0.000 0.683 50 G HA3 0.359 4.319 3.960 0.000 0.000 0.683 50 G C 0.131 175.019 174.900 -0.020 0.000 1.071 50 G CA -0.297 44.789 45.100 -0.023 0.000 0.904 50 G HN 1.925 nan 8.290 nan 0.000 0.452 51 A N 0.518 123.327 122.820 -0.019 0.000 2.237 51 A HA 0.049 4.369 4.320 0.000 0.000 0.281 51 A C 0.438 178.012 177.584 -0.017 0.000 1.414 51 A CA 1.541 53.568 52.037 -0.016 0.000 0.733 51 A CB -1.746 17.246 19.000 -0.014 0.000 1.168 51 A HN 2.015 nan 8.150 nan 0.000 0.347 52 L N 0.103 121.315 121.223 -0.018 0.000 2.346 52 L HA 0.794 5.134 4.340 0.000 0.000 0.276 52 L C 0.658 177.517 176.870 -0.017 0.000 1.006 52 L CA -0.216 54.612 54.840 -0.019 0.000 0.817 52 L CB 2.096 44.141 42.059 -0.024 0.000 1.272 52 L HN 0.814 nan 8.230 nan 0.000 0.421 53 A N 4.162 126.973 122.820 -0.015 0.000 2.328 53 A HA 0.708 5.028 4.320 0.000 0.000 0.284 53 A C -2.143 175.433 177.584 -0.013 0.000 1.160 53 A CA -1.339 50.690 52.037 -0.013 0.000 0.818 53 A CB -0.164 18.829 19.000 -0.011 0.000 1.087 53 A HN 0.517 nan 8.150 nan 0.000 0.504 54 P HA 0.135 nan 4.420 nan 0.000 0.269 54 P C -0.605 176.688 177.300 -0.011 0.000 1.211 54 P CA 0.207 63.299 63.100 -0.012 0.000 0.781 54 P CB 0.575 32.269 31.700 -0.009 0.000 0.877 55 R N 1.366 121.860 120.500 -0.011 0.000 2.778 55 R HA 0.467 4.807 4.340 0.000 0.000 0.277 55 R C -2.073 174.222 176.300 -0.007 0.000 0.977 55 R CA -2.117 53.977 56.100 -0.010 0.000 0.950 55 R CB 1.124 31.417 30.300 -0.012 0.000 1.165 55 R HN 0.433 nan 8.270 nan 0.000 0.474 56 P HA -0.061 nan 4.420 nan 0.000 0.265 56 P C 0.447 177.745 177.300 -0.003 0.000 1.193 56 P CA 0.650 63.747 63.100 -0.004 0.000 0.765 56 P CB 0.652 32.350 31.700 -0.004 0.000 0.823 57 G N 1.623 110.422 108.800 -0.002 0.000 2.196 57 G HA2 -0.306 3.654 3.960 0.000 0.000 0.268 57 G HA3 -0.306 3.654 3.960 0.000 0.000 0.268 57 G C 0.208 175.108 174.900 0.000 0.000 0.975 57 G CA 0.535 45.635 45.100 0.000 0.000 0.648 57 G HN 0.740 nan 8.290 nan 0.000 0.538 58 E N 0.523 120.722 120.200 -0.002 0.000 2.373 58 E HA 0.449 4.799 4.350 0.000 0.000 0.263 58 E C 0.197 176.797 176.600 0.001 0.000 1.073 58 E CA -0.144 56.254 56.400 -0.004 0.000 0.894 58 E CB 0.419 30.114 29.700 -0.010 0.000 1.008 58 E HN 0.119 nan 8.360 nan 0.000 0.420 59 T N 3.990 118.546 114.554 0.004 0.000 2.884 59 T HA 0.338 4.688 4.350 0.000 0.000 0.298 59 T C 0.004 174.711 174.700 0.012 0.000 0.998 59 T CA -0.032 62.077 62.100 0.015 0.000 1.124 59 T CB 0.178 69.064 68.868 0.032 0.000 0.931 59 T HN 0.307 nan 8.240 nan 0.000 0.531 60 I N 2.812 123.393 120.570 0.019 0.000 2.498 60 I HA 0.512 4.682 4.170 0.000 0.000 0.290 60 I C -0.617 175.518 176.117 0.031 0.000 1.032 60 I CA -1.118 60.192 61.300 0.016 0.000 1.073 60 I CB 2.148 40.152 38.000 0.007 0.000 1.251 60 I HN 0.283 nan 8.210 nan 0.000 0.426 61 V N 5.324 125.260 119.914 0.037 0.000 2.443 61 V HA 0.360 4.480 4.120 0.000 0.000 0.293 61 V C -0.917 175.195 176.094 0.031 0.000 1.021 61 V CA -0.347 61.984 62.300 0.051 0.000 0.848 61 V CB 1.784 33.674 31.823 0.111 0.000 0.998 61 V HN 0.749 nan 8.190 nan 0.000 0.424 62 D N 6.000 126.412 120.400 0.021 0.000 2.359 62 D HA 0.437 5.077 4.640 0.000 0.000 0.250 62 D C 0.704 177.011 176.300 0.011 0.000 1.264 62 D CA 0.559 54.566 54.000 0.012 0.000 0.911 62 D CB 1.421 42.225 40.800 0.007 0.000 1.056 62 D HN 0.773 nan 8.370 nan 0.000 0.499 63 A N 3.595 126.421 122.820 0.010 0.000 2.640 63 A HA 0.186 4.506 4.320 0.000 0.000 0.282 63 A C 0.722 178.308 177.584 0.003 0.000 1.357 63 A CA -0.498 51.544 52.037 0.007 0.000 0.946 63 A CB -0.329 18.677 19.000 0.009 0.000 1.065 63 A HN 0.465 nan 8.150 nan 0.000 0.541 64 T N 1.790 116.345 114.554 0.002 0.000 2.867 64 T HA 0.214 4.564 4.350 0.000 0.000 0.297 64 T C 0.297 174.997 174.700 -0.000 0.000 0.989 64 T CA 0.815 62.915 62.100 -0.000 0.000 1.159 64 T CB 0.221 69.088 68.868 -0.002 0.000 0.928 64 T HN 0.559 nan 8.240 nan 0.000 0.538 65 D N -0.375 120.025 120.400 -0.000 0.000 2.946 65 D HA -0.156 4.484 4.640 0.000 0.000 0.202 65 D C 0.099 176.399 176.300 -0.000 0.000 1.068 65 D CA 0.612 54.612 54.000 0.000 0.000 1.011 65 D CB -1.650 39.150 40.800 0.000 0.000 1.105 65 D HN 0.541 nan 8.370 nan 0.000 0.425 66 C N 0.622 119.922 119.300 0.000 0.000 2.364 66 C HA 0.642 5.103 4.460 0.000 0.000 0.356 66 C C 0.873 175.871 174.990 0.014 0.000 1.201 66 C CA -0.746 58.271 59.018 -0.001 0.000 2.227 66 C CB 1.855 29.593 27.740 -0.004 0.000 2.387 66 C HN 0.048 nan 8.230 nan 0.000 0.546 67 V N 3.323 123.255 119.914 0.029 0.000 2.483 67 V HA 0.485 4.605 4.120 0.000 0.000 0.295 67 V C -0.057 176.109 176.094 0.119 0.000 1.035 67 V CA -0.229 62.121 62.300 0.084 0.000 0.896 67 V CB 1.417 33.295 31.823 0.092 0.000 0.986 67 V HN 0.658 nan 8.190 nan 0.000 0.447 68 I N 4.188 124.846 120.570 0.146 0.000 2.441 68 I HA 0.532 4.702 4.170 0.000 0.000 0.295 68 I C -1.097 175.189 176.117 0.282 0.000 0.994 68 I CA -0.516 60.855 61.300 0.117 0.000 1.144 68 I CB 1.669 39.688 38.000 0.033 0.000 1.314 68 I HN 0.480 nan 8.210 nan 0.000 0.445 69 Y N 5.887 126.132 120.300 -0.091 0.000 2.609 69 Y HA 0.497 5.047 4.550 -0.000 0.000 0.342 69 Y C -2.450 173.314 175.900 -0.227 0.000 1.058 69 Y CA -2.603 55.413 58.100 -0.141 0.000 1.055 69 Y CB 2.178 40.573 38.460 -0.108 0.000 1.292 69 Y HN 0.295 nan 8.280 nan 0.000 0.476 70 P HA 0.332 nan 4.420 nan 0.000 0.282 70 P C -0.932 176.219 177.300 -0.247 0.000 1.249 70 P CA -0.305 62.706 63.100 -0.149 0.000 0.806 70 P CB 1.256 32.870 31.700 -0.144 0.000 0.984 71 A N 3.471 126.187 122.820 -0.174 0.000 2.520 71 A HA 0.066 4.386 4.320 0.000 0.000 0.235 71 A C -0.180 177.311 177.584 -0.156 0.000 1.065 71 A CA -0.149 51.774 52.037 -0.190 0.000 0.764 71 A CB -0.470 18.506 19.000 -0.041 0.000 1.002 71 A HN 0.499 nan 8.150 nan 0.000 0.502 72 W N 0.484 121.863 121.300 0.132 0.000 2.126 72 W HA 0.445 5.105 4.660 0.000 0.000 0.346 72 W C -0.234 176.333 176.519 0.081 0.000 1.279 72 W CA -0.459 56.957 57.345 0.118 0.000 1.259 72 W CB 0.651 30.188 29.460 0.128 0.000 1.133 72 W HN 0.372 nan 8.180 nan 0.000 0.592 73 V N 2.615 122.741 119.914 0.354 0.000 2.349 73 V HA 0.117 4.237 4.120 0.000 0.000 0.284 73 V C -0.507 175.680 176.094 0.156 0.000 1.014 73 V CA -1.063 61.348 62.300 0.185 0.000 0.826 73 V CB 0.909 32.791 31.823 0.098 0.000 1.009 73 V HN 0.495 nan 8.190 nan 0.000 0.431 74 N N 2.762 121.540 118.700 0.130 0.000 2.419 74 N HA 0.252 4.992 4.740 0.000 0.000 0.264 74 N C 0.977 176.523 175.510 0.061 0.000 1.031 74 N CA 0.133 53.239 53.050 0.093 0.000 0.951 74 N CB 1.550 40.099 38.487 0.103 0.000 1.101 74 N HN 0.716 nan 8.380 nan 0.000 0.488 75 T N -0.184 114.408 114.554 0.063 0.000 3.105 75 T HA 0.155 4.505 4.350 0.000 0.000 0.253 75 T C -0.126 174.730 174.700 0.261 0.000 1.047 75 T CA 0.066 62.209 62.100 0.071 0.000 0.944 75 T CB -0.484 68.328 68.868 -0.093 0.000 1.016 75 T HN 0.628 nan 8.240 nan 0.000 0.544 76 H N 0.179 119.300 119.070 0.084 0.000 3.123 76 H HA 0.592 5.149 4.556 0.000 0.000 0.346 76 H C -1.657 173.694 175.328 0.037 0.000 1.138 76 H CA -0.591 55.499 56.048 0.070 0.000 1.273 76 H CB 1.118 30.971 29.762 0.152 0.000 1.926 76 H HN 0.217 nan 8.280 nan 0.000 0.524 77 H N 2.284 120.907 119.070 -0.744 0.000 2.917 77 H HA 0.336 4.892 4.556 0.000 0.000 0.299 77 H C -1.259 173.599 175.328 -0.784 0.000 1.418 77 H CA -0.583 55.112 56.048 -0.588 0.000 1.138 77 H CB 1.407 31.042 29.762 -0.212 0.000 1.830 77 H HN 0.789 nan 8.280 nan 0.000 0.514 78 H N 3.393 122.621 119.070 0.263 0.000 2.600 78 H HA 0.104 4.660 4.556 -0.000 0.000 0.224 78 H C 1.064 176.220 175.328 -0.288 0.000 1.413 78 H CA -0.337 55.662 56.048 -0.082 0.000 1.401 78 H CB 0.514 30.184 29.762 -0.152 0.000 1.772 78 H HN 0.269 nan 8.280 nan 0.000 0.528 79 L N 0.807 121.802 121.223 -0.380 0.000 2.197 79 L HA -0.226 4.114 4.340 0.000 0.000 0.215 79 L C 2.212 178.867 176.870 -0.359 0.000 1.095 79 L CA 1.648 56.195 54.840 -0.489 0.000 0.764 79 L CB -1.314 40.451 42.059 -0.491 0.000 0.897 79 L HN 0.449 nan 8.230 nan 0.000 0.436 80 F N -0.233 119.465 119.950 -0.420 0.000 2.293 80 F HA -0.138 4.389 4.527 -0.000 0.000 0.300 80 F C 2.254 177.843 175.800 -0.353 0.000 1.086 80 F CA 0.666 58.349 58.000 -0.529 0.000 1.375 80 F CB -0.992 37.617 39.000 -0.653 0.000 1.045 80 F HN 0.049 nan 8.300 nan 0.000 0.516 81 Q N 0.634 119.819 119.800 -1.025 0.000 2.508 81 Q HA -0.092 4.248 4.340 0.000 0.000 0.214 81 Q C 1.944 177.793 176.000 -0.251 0.000 0.979 81 Q CA 0.995 56.378 55.803 -0.700 0.000 0.911 81 Q CB -0.258 28.083 28.738 -0.662 0.000 0.969 81 Q HN 0.460 nan 8.270 nan 0.000 0.504 82 S N 0.161 115.757 115.700 -0.173 0.000 2.537 82 S HA -0.020 4.450 4.470 0.000 0.000 0.240 82 S C 1.175 175.760 174.600 -0.025 0.000 0.981 82 S CA 0.695 58.851 58.200 -0.073 0.000 0.948 82 S CB 0.136 63.289 63.200 -0.078 0.000 0.759 82 S HN 0.362 nan 8.310 nan 0.000 0.531 83 L N 0.277 121.523 121.223 0.037 0.000 2.959 83 L HA 0.374 4.714 4.340 0.000 0.000 0.259 83 L C 0.164 177.060 176.870 0.044 0.000 1.185 83 L CA 0.252 55.140 54.840 0.080 0.000 0.998 83 L CB 0.381 42.552 42.059 0.186 0.000 1.337 83 L HN 0.216 nan 8.230 nan 0.000 0.555 84 L N -1.308 119.899 121.223 -0.027 0.000 3.289 84 L HA 0.201 4.541 4.340 0.000 0.000 0.291 84 L C 1.574 178.350 176.870 -0.157 0.000 1.279 84 L CA -0.183 54.568 54.840 -0.147 0.000 1.025 84 L CB 0.277 42.259 42.059 -0.128 0.000 1.413 84 L HN 0.043 nan 8.230 nan 0.000 0.593 85 K N 1.239 121.575 120.400 -0.108 0.000 2.032 85 K HA -0.208 4.112 4.320 0.000 0.000 0.218 85 K C 2.015 178.563 176.600 -0.087 0.000 1.054 85 K CA 1.941 58.177 56.287 -0.084 0.000 0.941 85 K CB -0.506 31.959 32.500 -0.058 0.000 0.720 85 K HN 0.489 nan 8.250 nan 0.000 0.449 86 G N 1.730 110.473 108.800 -0.095 0.000 2.875 86 G HA2 -0.260 3.700 3.960 0.000 0.000 0.220 86 G HA3 -0.260 3.700 3.960 0.000 0.000 0.220 86 G C 0.949 175.804 174.900 -0.074 0.000 1.293 86 G CA 1.189 46.240 45.100 -0.081 0.000 0.789 86 G HN 0.300 nan 8.290 nan 0.000 0.677 87 E N -0.594 119.546 120.200 -0.100 0.000 2.437 87 E HA 0.450 4.800 4.350 0.000 0.000 0.253 87 E C -2.294 174.265 176.600 -0.068 0.000 0.905 87 E CA -1.490 54.875 56.400 -0.059 0.000 0.871 87 E CB 0.642 30.332 29.700 -0.017 0.000 1.649 87 E HN -0.017 nan 8.360 nan 0.000 0.422 107 R N 1.765 122.583 120.500 0.530 0.000 2.103 107 R HA -0.158 4.182 4.340 0.000 0.000 0.242 107 R C 1.900 178.386 176.300 0.310 0.000 1.142 107 R CA 1.785 58.122 56.100 0.394 0.000 0.960 107 R CB -0.353 30.043 30.300 0.160 0.000 0.858 107 R HN 0.319 nan 8.270 nan 0.000 0.439 108 A N 0.564 123.481 122.820 0.161 0.000 2.216 108 A HA -0.005 4.315 4.320 0.000 0.000 0.214 108 A C 1.787 179.428 177.584 0.096 0.000 1.160 108 A CA 0.690 52.754 52.037 0.044 0.000 0.725 108 A CB -0.196 18.780 19.000 -0.040 0.000 0.784 108 A HN 0.355 nan 8.150 nan 0.000 0.472 109 L N -1.619 119.705 121.223 0.168 0.000 2.592 109 L HA 0.243 4.583 4.340 0.000 0.000 0.227 109 L C -0.255 176.610 176.870 -0.007 0.000 1.127 109 L CA -0.392 54.480 54.840 0.054 0.000 0.884 109 L CB -0.338 41.714 42.059 -0.011 0.000 1.065 109 L HN 0.199 nan 8.230 nan 0.000 0.457 110 F N 1.899 121.922 119.950 0.122 0.000 2.412 110 F HA 0.188 4.715 4.527 0.000 0.000 0.348 110 F C 0.852 176.719 175.800 0.111 0.000 1.102 110 F CA -0.554 57.526 58.000 0.132 0.000 1.196 110 F CB 0.735 39.852 39.000 0.196 0.000 1.144 110 F HN 0.087 nan 8.300 nan 0.000 0.541 111 D N 1.149 121.563 120.400 0.025 0.000 2.898 111 D HA 0.178 4.818 4.640 0.000 0.000 0.266 111 D C 0.856 176.731 176.300 -0.707 0.000 1.173 111 D CA -0.344 53.544 54.000 -0.186 0.000 1.078 111 D CB 0.287 41.062 40.800 -0.043 0.000 1.326 111 D HN 0.341 nan 8.370 nan 0.000 0.622 112 E N 0.558 120.441 120.200 -0.528 0.000 1.997 112 E HA -0.239 4.111 4.350 0.000 0.000 0.201 112 E C 2.122 178.593 176.600 -0.215 0.000 1.011 112 E CA 2.267 58.414 56.400 -0.422 0.000 0.847 112 E CB -0.326 29.302 29.700 -0.119 0.000 0.787 112 E HN 0.374 nan 8.360 nan 0.000 0.472 113 R N 0.387 120.820 120.500 -0.113 0.000 2.136 113 R HA -0.169 4.171 4.340 0.000 0.000 0.242 113 R C 2.518 178.789 176.300 -0.048 0.000 1.131 113 R CA 2.489 58.553 56.100 -0.061 0.000 0.937 113 R CB -0.480 29.790 30.300 -0.050 0.000 0.863 113 R HN 0.216 nan 8.270 nan 0.000 0.435 114 R N -1.175 119.288 120.500 -0.061 0.000 2.080 114 R HA -0.148 4.192 4.340 0.000 0.000 0.236 114 R C 2.350 178.728 176.300 0.131 0.000 1.137 114 R CA 1.762 57.847 56.100 -0.026 0.000 0.943 114 R CB -0.725 29.478 30.300 -0.162 0.000 0.846 114 R HN 0.261 nan 8.270 nan 0.000 0.431 115 F N 1.736 121.702 119.950 0.028 0.000 2.120 115 F HA -0.250 4.277 4.527 -0.000 0.000 0.300 115 F C 2.566 178.369 175.800 0.005 0.000 1.095 115 F CA 1.742 59.792 58.000 0.083 0.000 1.249 115 F CB -0.144 38.768 39.000 -0.146 0.000 0.995 115 F HN -0.156 nan 8.300 nan 0.000 0.480 116 R N -0.128 120.406 120.500 0.055 0.000 2.096 116 R HA -0.179 4.161 4.340 0.000 0.000 0.235 116 R C 2.182 178.430 176.300 -0.086 0.000 1.127 116 R CA 1.667 57.752 56.100 -0.024 0.000 0.968 116 R CB -0.590 29.716 30.300 0.011 0.000 0.861 116 R HN 0.437 nan 8.270 nan 0.000 0.440 117 L N 0.156 121.347 121.223 -0.054 0.000 2.027 117 L HA 0.015 4.355 4.340 0.000 0.000 0.206 117 L C 2.224 179.051 176.870 -0.071 0.000 1.074 117 L CA 2.092 56.901 54.840 -0.051 0.000 0.745 117 L CB -0.684 41.358 42.059 -0.028 0.000 0.898 117 L HN 0.236 nan 8.230 nan 0.000 0.433 118 A N -0.429 122.354 122.820 -0.062 0.000 1.908 118 A HA -0.176 4.144 4.320 0.000 0.000 0.218 118 A C 2.438 179.903 177.584 -0.198 0.000 1.181 118 A CA 2.031 54.020 52.037 -0.081 0.000 0.627 118 A CB -1.225 17.777 19.000 0.003 0.000 0.818 118 A HN 0.580 nan 8.150 nan 0.000 0.445 119 A N -0.499 122.131 122.820 -0.318 0.000 1.877 119 A HA -0.146 4.174 4.320 0.000 0.000 0.216 119 A C 2.244 179.698 177.584 -0.216 0.000 1.186 119 A CA 1.786 53.616 52.037 -0.346 0.000 0.620 119 A CB -0.502 18.234 19.000 -0.441 0.000 0.822 119 A HN 0.559 nan 8.150 nan 0.000 0.443 120 R N -0.272 120.131 120.500 -0.161 0.000 2.080 120 R HA -0.117 4.223 4.340 0.000 0.000 0.236 120 R C 1.998 178.251 176.300 -0.078 0.000 1.137 120 R CA 1.871 57.908 56.100 -0.105 0.000 0.943 120 R CB -0.489 29.766 30.300 -0.075 0.000 0.846 120 R HN 0.542 nan 8.270 nan 0.000 0.431 121 I N -0.040 120.488 120.570 -0.071 0.000 2.069 121 I HA -0.280 3.890 4.170 0.000 0.000 0.237 121 I C 2.471 178.568 176.117 -0.035 0.000 1.053 121 I CA 1.833 63.106 61.300 -0.045 0.000 1.311 121 I CB -0.770 37.205 38.000 -0.040 0.000 1.030 121 I HN 0.477 nan 8.210 nan 0.000 0.398 122 G N 0.333 109.101 108.800 -0.053 0.000 2.450 122 G HA2 -0.225 3.735 3.960 0.000 0.000 0.220 122 G HA3 -0.225 3.735 3.960 0.000 0.000 0.220 122 G C 1.586 176.498 174.900 0.019 0.000 1.130 122 G CA 0.481 45.578 45.100 -0.005 0.000 0.760 122 G HN 0.169 nan 8.290 nan 0.000 0.557 123 L N 0.669 121.869 121.223 -0.038 0.000 2.072 123 L HA 0.106 4.446 4.340 0.000 0.000 0.205 123 L C 2.706 179.585 176.870 0.016 0.000 1.079 123 L CA 0.891 55.724 54.840 -0.012 0.000 0.752 123 L CB -0.345 41.673 42.059 -0.068 0.000 0.906 123 L HN 0.091 nan 8.230 nan 0.000 0.436 124 I N 0.131 120.700 120.570 -0.002 0.000 2.179 124 I HA -0.266 3.904 4.170 0.000 0.000 0.242 124 I C 2.395 178.527 176.117 0.026 0.000 1.088 124 I CA 1.513 62.817 61.300 0.007 0.000 1.357 124 I CB -1.283 36.714 38.000 -0.006 0.000 1.051 124 I HN 0.497 nan 8.210 nan 0.000 0.409 125 E N 0.459 120.675 120.200 0.028 0.000 2.338 125 E HA -0.198 4.152 4.350 0.000 0.000 0.197 125 E C 2.116 178.751 176.600 0.059 0.000 1.007 125 E CA 0.699 57.121 56.400 0.037 0.000 0.849 125 E CB -0.307 29.409 29.700 0.027 0.000 0.774 125 E HN 0.255 nan 8.360 nan 0.000 0.506 126 L N 1.122 122.391 121.223 0.077 0.000 2.162 126 L HA 0.151 4.491 4.340 0.000 0.000 0.205 126 L C 2.344 179.288 176.870 0.124 0.000 1.086 126 L CA 1.515 56.419 54.840 0.106 0.000 0.778 126 L CB -0.551 41.590 42.059 0.136 0.000 0.928 126 L HN 0.206 nan 8.230 nan 0.000 0.446 127 A N 0.211 123.087 122.820 0.094 0.000 1.929 127 A HA -0.151 4.169 4.320 0.000 0.000 0.216 127 A C 2.017 179.653 177.584 0.086 0.000 1.176 127 A CA 1.178 53.267 52.037 0.086 0.000 0.628 127 A CB -0.467 18.562 19.000 0.048 0.000 0.816 127 A HN 0.561 nan 8.150 nan 0.000 0.444 128 R N 0.401 120.947 120.500 0.077 0.000 2.335 128 R HA 0.102 4.442 4.340 0.000 0.000 0.223 128 R C 0.915 177.294 176.300 0.131 0.000 0.940 128 R CA 0.973 57.120 56.100 0.080 0.000 1.086 128 R CB -0.417 29.913 30.300 0.050 0.000 1.073 128 R HN 0.465 nan 8.270 nan 0.000 0.504 129 S N -0.865 114.942 115.700 0.178 0.000 2.578 129 S HA 0.274 4.744 4.470 0.000 0.000 0.231 129 S C 1.195 176.082 174.600 0.480 0.000 0.994 129 S CA 0.019 58.364 58.200 0.242 0.000 0.956 129 S CB 0.781 64.062 63.200 0.135 0.000 0.870 129 S HN 0.519 nan 8.310 nan 0.000 0.494 130 G N 0.541 109.569 108.800 0.379 0.000 2.157 130 G HA2 -0.273 3.687 3.960 0.000 0.000 0.248 130 G HA3 -0.273 3.687 3.960 0.000 0.000 0.248 130 G C 0.273 175.370 174.900 0.329 0.000 0.979 130 G CA -0.119 45.179 45.100 0.330 0.000 0.650 130 G HN 0.963 nan 8.290 nan 0.000 0.529 131 C N 1.036 120.581 119.300 0.409 0.000 2.499 131 C HA 0.776 5.236 4.460 0.000 0.000 0.386 131 C C 1.707 176.813 174.990 0.192 0.000 1.293 131 C CA 0.642 59.873 59.018 0.354 0.000 1.884 131 C CB 0.519 28.452 27.740 0.322 0.000 2.509 131 C HN 1.182 nan 8.230 nan 0.000 0.566 132 A N 4.069 126.982 122.820 0.156 0.000 2.192 132 A HA 0.318 4.638 4.320 0.000 0.000 0.208 132 A C 0.814 178.473 177.584 0.124 0.000 1.220 132 A CA 0.293 52.398 52.037 0.113 0.000 0.900 132 A CB 0.044 19.092 19.000 0.081 0.000 0.937 132 A HN 0.773 nan 8.150 nan 0.000 0.487 133 T N 0.987 115.621 114.554 0.133 0.000 2.791 133 T HA 0.560 4.910 4.350 0.000 0.000 0.288 133 T C -0.781 173.992 174.700 0.122 0.000 0.999 133 T CA -0.291 61.879 62.100 0.117 0.000 0.952 133 T CB 1.493 70.411 68.868 0.083 0.000 0.938 133 T HN 0.002 nan 8.240 nan 0.000 0.444 134 V N 2.136 122.130 119.914 0.133 0.000 2.581 134 V HA 0.885 5.005 4.120 0.000 0.000 0.303 134 V C -0.063 176.011 176.094 -0.034 0.000 1.041 134 V CA -1.058 61.320 62.300 0.130 0.000 0.907 134 V CB 1.736 33.703 31.823 0.240 0.000 0.994 134 V HN 1.036 nan 8.190 nan 0.000 0.442 135 A N 2.580 125.374 122.820 -0.044 0.000 2.335 135 A HA 0.720 5.040 4.320 0.000 0.000 0.304 135 A C -1.032 176.500 177.584 -0.088 0.000 1.118 135 A CA -0.452 51.482 52.037 -0.172 0.000 0.757 135 A CB 1.111 20.093 19.000 -0.030 0.000 1.188 135 A HN 0.862 nan 8.150 nan 0.000 0.460 136 D N 0.537 120.820 120.400 -0.195 0.000 2.278 136 D HA 0.254 4.894 4.640 0.000 0.000 0.245 136 D C -0.295 176.072 176.300 0.111 0.000 1.052 136 D CA -0.052 53.950 54.000 0.004 0.000 0.834 136 D CB 0.668 41.550 40.800 0.137 0.000 1.194 136 D HN 0.616 nan 8.370 nan 0.000 0.481 137 H N 3.963 123.042 119.070 0.015 0.000 2.820 137 H HA 0.182 4.738 4.556 -0.000 0.000 0.248 137 H C -0.443 175.078 175.328 0.320 0.000 1.714 137 H CA -0.810 55.358 56.048 0.200 0.000 1.334 137 H CB 0.021 29.916 29.762 0.221 0.000 1.693 137 H HN 0.221 nan 8.280 nan 0.000 0.548 138 N N 2.967 121.894 118.700 0.378 0.000 2.470 138 N HA -0.082 4.658 4.740 0.000 0.000 0.268 138 N C -0.451 175.219 175.510 0.266 0.000 1.136 138 N CA -0.128 53.062 53.050 0.232 0.000 0.961 138 N CB 0.340 38.979 38.487 0.254 0.000 1.067 138 N HN 0.618 nan 8.380 nan 0.000 0.468 139 Y N 1.298 121.624 120.300 0.043 0.000 2.779 139 Y HA 0.267 4.817 4.550 0.000 0.000 0.251 139 Y C -0.207 175.556 175.900 -0.229 0.000 1.145 139 Y CA -1.071 57.026 58.100 -0.006 0.000 1.201 139 Y CB -0.781 37.664 38.460 -0.026 0.000 1.281 139 Y HN 0.148 nan 8.280 nan 0.000 0.563 140 V N 0.564 120.182 119.914 -0.493 0.000 2.338 140 V HA 0.596 4.716 4.120 0.000 0.000 0.255 140 V C -1.709 173.921 176.094 -0.773 0.000 1.082 140 V CA -0.131 61.868 62.300 -0.503 0.000 0.951 140 V CB -0.818 30.670 31.823 -0.558 0.000 1.102 140 V HN 0.257 nan 8.190 nan 0.000 0.489 141 Y N 5.320 125.596 120.300 -0.041 0.000 2.519 141 Y HA 0.796 5.346 4.550 -0.000 0.000 0.336 141 Y C -0.519 175.391 175.900 0.016 0.000 1.089 141 Y CA -1.141 56.863 58.100 -0.160 0.000 1.025 141 Y CB 2.164 40.511 38.460 -0.189 0.000 1.318 141 Y HN 0.865 nan 8.280 nan 0.000 0.452 142 Y N -0.548 119.739 120.300 -0.022 0.000 2.583 142 Y HA 0.643 5.193 4.550 -0.000 0.000 0.330 142 Y C -3.493 172.372 175.900 -0.057 0.000 1.185 142 Y CA -3.011 55.062 58.100 -0.045 0.000 1.107 142 Y CB 0.750 39.174 38.460 -0.059 0.000 1.344 142 Y HN 0.278 nan 8.280 nan 0.000 0.463 143 P HA 0.189 nan 4.420 nan 0.000 0.260 143 P C 0.862 178.167 177.300 0.008 0.000 1.172 143 P CA 2.689 65.802 63.100 0.021 0.000 0.760 143 P CB 0.469 32.204 31.700 0.059 0.000 0.773 144 G N 2.818 111.560 108.800 -0.095 0.000 2.148 144 G HA2 -0.343 3.617 3.960 0.000 0.000 0.254 144 G HA3 -0.343 3.617 3.960 0.000 0.000 0.254 144 G C 0.273 175.046 174.900 -0.211 0.000 0.981 144 G CA 0.058 45.105 45.100 -0.089 0.000 0.670 144 G HN 0.617 nan 8.290 nan 0.000 0.528 145 M N 2.048 121.281 119.600 -0.612 0.000 2.290 145 M HA 0.210 4.690 4.480 0.000 0.000 0.356 145 M C 0.064 176.077 176.300 -0.479 0.000 1.448 145 M CA -0.116 54.597 55.300 -0.979 0.000 0.993 145 M CB 0.683 32.378 32.600 -1.508 0.000 1.934 145 M HN 0.055 nan 8.290 nan 0.000 0.461 146 P HA -0.002 nan 4.420 nan 0.000 0.233 146 P C -0.587 176.736 177.300 0.038 0.000 1.167 146 P CA 0.929 64.014 63.100 -0.026 0.000 0.770 146 P CB -0.299 31.481 31.700 0.133 0.000 0.837 147 F N -1.738 118.158 119.950 -0.090 0.000 2.603 147 F HA 0.677 5.204 4.527 -0.000 0.000 0.317 147 F C -0.602 175.130 175.800 -0.114 0.000 1.066 147 F CA -1.906 56.049 58.000 -0.076 0.000 0.941 147 F CB 0.647 39.611 39.000 -0.059 0.000 1.291 147 F HN -0.417 nan 8.300 nan 0.000 0.472 148 D N 1.484 121.952 120.400 0.113 0.000 2.441 148 D HA 0.257 4.897 4.640 0.000 0.000 0.221 148 D C 0.707 177.083 176.300 0.127 0.000 1.156 148 D CA 0.146 54.184 54.000 0.062 0.000 0.896 148 D CB 1.347 42.221 40.800 0.124 0.000 1.028 148 D HN 0.634 nan 8.370 nan 0.000 0.509 149 S N 1.456 117.126 115.700 -0.050 0.000 2.359 149 S HA -0.188 4.282 4.470 0.000 0.000 0.222 149 S C 2.024 176.710 174.600 0.143 0.000 1.038 149 S CA 1.331 59.409 58.200 -0.204 0.000 1.051 149 S CB -0.083 62.733 63.200 -0.640 0.000 0.944 149 S HN 0.536 nan 8.310 nan 0.000 0.433 150 S N 1.964 117.807 115.700 0.238 0.000 2.365 150 S HA -0.185 4.285 4.470 0.000 0.000 0.225 150 S C 2.270 177.036 174.600 0.277 0.000 1.039 150 S CA 1.161 59.542 58.200 0.302 0.000 1.033 150 S CB -0.790 62.652 63.200 0.403 0.000 0.887 150 S HN 0.630 nan 8.310 nan 0.000 0.447 151 A N 1.651 124.649 122.820 0.297 0.000 1.873 151 A HA -0.131 4.189 4.320 0.000 0.000 0.218 151 A C 2.127 179.840 177.584 0.215 0.000 1.193 151 A CA 1.688 53.907 52.037 0.304 0.000 0.629 151 A CB -0.928 18.233 19.000 0.269 0.000 0.826 151 A HN 0.484 nan 8.150 nan 0.000 0.447 152 I N -0.320 120.369 120.570 0.200 0.000 2.151 152 I HA -0.303 3.867 4.170 0.000 0.000 0.243 152 I C 2.468 178.612 176.117 0.045 0.000 1.080 152 I CA 1.327 62.727 61.300 0.166 0.000 1.339 152 I CB -0.417 37.757 38.000 0.291 0.000 1.039 152 I HN 0.318 nan 8.210 nan 0.000 0.409 153 L N -0.520 120.704 121.223 0.002 0.000 2.012 153 L HA -0.234 4.106 4.340 0.000 0.000 0.210 153 L C 2.554 179.003 176.870 -0.702 0.000 1.073 153 L CA 1.570 56.173 54.840 -0.394 0.000 0.748 153 L CB -0.571 41.264 42.059 -0.374 0.000 0.891 153 L HN 0.144 nan 8.230 nan 0.000 0.431 154 F N 0.318 120.043 119.950 -0.374 0.000 2.234 154 F HA -0.162 4.365 4.527 0.000 0.000 0.299 154 F C 2.497 178.192 175.800 -0.175 0.000 1.087 154 F CA 1.126 58.942 58.000 -0.308 0.000 1.340 154 F CB -0.358 38.442 39.000 -0.333 0.000 1.031 154 F HN 0.095 nan 8.300 nan 0.000 0.500 155 E N -0.117 120.124 120.200 0.068 0.000 2.031 155 E HA -0.185 4.165 4.350 0.000 0.000 0.193 155 E C 2.170 178.761 176.600 -0.014 0.000 0.994 155 E CA 1.273 57.707 56.400 0.058 0.000 0.800 155 E CB -0.159 29.584 29.700 0.071 0.000 0.752 155 E HN 0.278 nan 8.360 nan 0.000 0.447 156 E N 0.658 120.805 120.200 -0.087 0.000 2.051 156 E HA -0.186 4.164 4.350 0.000 0.000 0.192 156 E C 2.094 178.617 176.600 -0.128 0.000 0.991 156 E CA 1.095 57.426 56.400 -0.115 0.000 0.799 156 E CB -0.412 29.189 29.700 -0.166 0.000 0.748 156 E HN 0.245 nan 8.360 nan 0.000 0.449 157 A N 1.525 124.208 122.820 -0.228 0.000 1.883 157 A HA -0.253 4.067 4.320 0.000 0.000 0.217 157 A C 2.150 179.726 177.584 -0.013 0.000 1.186 157 A CA 1.956 53.900 52.037 -0.154 0.000 0.624 157 A CB -0.552 18.292 19.000 -0.260 0.000 0.822 157 A HN 0.326 nan 8.150 nan 0.000 0.444 158 E N -0.155 120.058 120.200 0.021 0.000 2.208 158 E HA -0.169 4.181 4.350 0.000 0.000 0.193 158 E C 1.814 178.436 176.600 0.036 0.000 0.988 158 E CA 1.079 57.516 56.400 0.061 0.000 0.828 158 E CB -0.094 29.661 29.700 0.093 0.000 0.763 158 E HN 0.636 nan 8.360 nan 0.000 0.478 159 K N 0.094 120.503 120.400 0.015 0.000 2.209 159 K HA -0.066 4.254 4.320 0.000 0.000 0.204 159 K C 1.963 178.567 176.600 0.006 0.000 1.048 159 K CA 0.870 57.163 56.287 0.010 0.000 0.940 159 K CB 0.065 32.564 32.500 -0.002 0.000 0.729 159 K HN 0.219 nan 8.250 nan 0.000 0.451 160 L N -0.839 120.385 121.223 0.003 0.000 2.529 160 L HA 0.135 4.475 4.340 0.000 0.000 0.223 160 L C 1.080 177.961 176.870 0.018 0.000 1.113 160 L CA 0.312 55.155 54.840 0.004 0.000 0.861 160 L CB 0.127 42.186 42.059 -0.001 0.000 1.012 160 L HN 0.409 nan 8.230 nan 0.000 0.461 161 G N 0.835 109.655 108.800 0.033 0.000 2.136 161 G HA2 -0.253 3.707 3.960 0.000 0.000 0.242 161 G HA3 -0.253 3.707 3.960 0.000 0.000 0.242 161 G C 0.121 175.061 174.900 0.066 0.000 0.989 161 G CA -0.082 45.046 45.100 0.047 0.000 0.682 161 G HN 0.227 nan 8.290 nan 0.000 0.522 162 L N -0.329 120.941 121.223 0.077 0.000 2.379 162 L HA 0.615 4.955 4.340 0.000 0.000 0.269 162 L C 1.155 178.118 176.870 0.155 0.000 1.084 162 L CA -1.130 53.775 54.840 0.108 0.000 0.802 162 L CB 0.801 42.927 42.059 0.112 0.000 1.175 162 L HN 0.045 nan 8.230 nan 0.000 0.448 163 R N 1.188 121.784 120.500 0.160 0.000 2.438 163 R HA 0.382 4.722 4.340 0.000 0.000 0.287 163 R C -1.059 175.396 176.300 0.258 0.000 1.077 163 R CA -0.220 55.991 56.100 0.185 0.000 1.034 163 R CB 0.740 31.118 30.300 0.131 0.000 0.993 163 R HN 0.321 nan 8.270 nan 0.000 0.459 164 F N 2.428 122.445 119.950 0.112 0.000 2.532 164 F HA 0.405 4.932 4.527 0.000 0.000 0.321 164 F C -0.896 174.960 175.800 0.094 0.000 1.089 164 F CA -1.005 57.026 58.000 0.052 0.000 0.926 164 F CB 1.654 40.624 39.000 -0.049 0.000 1.168 164 F HN 0.094 nan 8.300 nan 0.000 0.459 165 V N 7.059 126.510 119.914 -0.771 0.000 2.376 165 V HA 0.302 4.422 4.120 0.000 0.000 0.287 165 V C -0.831 174.793 176.094 -0.784 0.000 1.015 165 V CA -0.790 61.235 62.300 -0.458 0.000 0.834 165 V CB 1.255 32.968 31.823 -0.185 0.000 1.001 165 V HN 0.629 nan 8.190 nan 0.000 0.428 166 L N 7.053 128.022 121.223 -0.423 0.000 2.313 166 L HA 0.461 4.801 4.340 0.000 0.000 0.282 166 L C -0.215 176.675 176.870 0.035 0.000 1.092 166 L CA 0.365 55.074 54.840 -0.218 0.000 0.831 166 L CB 0.647 42.739 42.059 0.054 0.000 1.159 166 L HN 0.557 nan 8.230 nan 0.000 0.442 167 L N 6.108 127.380 121.223 0.081 0.000 2.494 167 L HA 0.414 4.754 4.340 0.000 0.000 0.251 167 L C 0.367 177.442 176.870 0.342 0.000 1.119 167 L CA -0.604 54.342 54.840 0.178 0.000 1.026 167 L CB 0.079 42.220 42.059 0.137 0.000 1.370 167 L HN 0.546 nan 8.230 nan 0.000 0.426 168 R N 2.214 122.903 120.500 0.315 0.000 2.543 168 R HA 0.123 4.463 4.340 0.000 0.000 0.348 168 R C 0.222 176.771 176.300 0.416 0.000 0.981 168 R CA 0.147 56.456 56.100 0.348 0.000 1.019 168 R CB 0.275 30.715 30.300 0.233 0.000 0.944 168 R HN 0.615 nan 8.270 nan 0.000 0.425 169 G N 0.959 110.058 108.800 0.498 0.000 2.613 169 G HA2 0.709 4.669 3.960 0.000 0.000 0.303 169 G HA3 0.709 4.669 3.960 0.000 0.000 0.303 169 G C -0.349 174.676 174.900 0.208 0.000 1.312 169 G CA 0.073 45.447 45.100 0.456 0.000 1.036 169 G HN 0.777 nan 8.290 nan 0.000 0.513 170 G N -2.374 106.520 108.800 0.157 0.000 2.356 170 G HA2 0.628 4.588 3.960 0.000 0.000 0.288 170 G HA3 0.628 4.588 3.960 0.000 0.000 0.288 170 G C -1.131 173.814 174.900 0.075 0.000 1.302 170 G CA 0.224 45.321 45.100 -0.005 0.000 0.887 170 G HN 1.999 nan 8.290 nan 0.000 0.521 171 A N -1.657 121.191 122.820 0.046 0.000 2.606 171 A HA 0.910 5.230 4.320 0.000 0.000 0.293 171 A C 0.570 178.215 177.584 0.101 0.000 1.082 171 A CA 0.809 52.903 52.037 0.094 0.000 0.685 171 A CB 1.298 20.320 19.000 0.037 0.000 1.284 171 A HN 2.227 nan 8.150 nan 0.000 0.408 172 T N -1.974 112.646 114.554 0.109 0.000 3.023 172 T HA 0.286 4.636 4.350 0.000 0.000 0.253 172 T C 0.466 175.200 174.700 0.058 0.000 1.038 172 T CA 0.614 62.770 62.100 0.093 0.000 0.962 172 T CB -0.178 68.751 68.868 0.101 0.000 1.018 172 T HN 0.837 nan 8.240 nan 0.000 0.521 173 Q N -0.587 119.242 119.800 0.048 0.000 2.882 173 Q HA 0.682 5.022 4.340 0.000 0.000 0.315 173 Q C -0.105 175.909 176.000 0.024 0.000 1.004 173 Q CA -0.701 55.122 55.803 0.034 0.000 0.777 173 Q CB 1.600 30.358 28.738 0.034 0.000 1.506 173 Q HN 0.086 nan 8.270 nan 0.000 0.489 174 T N -1.607 112.956 114.554 0.016 0.000 3.694 174 T HA 0.003 4.353 4.350 0.000 0.000 0.309 174 T C -0.542 174.155 174.700 -0.005 0.000 0.869 174 T CA 0.432 62.532 62.100 0.001 0.000 1.060 174 T CB 0.039 68.903 68.868 -0.006 0.000 1.119 174 T HN 0.621 nan 8.240 nan 0.000 0.576 175 R N 2.006 122.506 120.500 -0.001 0.000 3.109 175 R HA -0.135 4.205 4.340 0.000 0.000 0.241 175 R C 0.527 176.819 176.300 -0.013 0.000 0.882 175 R CA 1.027 57.125 56.100 -0.004 0.000 0.604 175 R CB -1.759 28.541 30.300 0.001 0.000 1.040 175 R HN 0.689 nan 8.270 nan 0.000 0.480 176 Q N -0.426 119.365 119.800 -0.015 0.000 2.247 176 Q HA 0.228 4.568 4.340 0.000 0.000 0.211 176 Q C 0.673 176.664 176.000 -0.015 0.000 0.861 176 Q CA 0.227 56.018 55.803 -0.020 0.000 0.949 176 Q CB 0.440 29.164 28.738 -0.023 0.000 1.115 176 Q HN 0.308 nan 8.270 nan 0.000 0.507 177 L N -0.264 120.952 121.223 -0.011 0.000 5.140 177 L HA -0.400 3.940 4.340 0.000 0.000 0.053 177 L C 0.334 177.200 176.870 -0.006 0.000 3.657 177 L CA 2.830 57.666 54.840 -0.007 0.000 1.036 177 L CB -1.214 40.840 42.059 -0.008 0.000 3.292 177 L HN 0.473 nan 8.230 nan 0.000 1.093 178 E N -2.691 117.504 120.200 -0.008 0.000 1.966 178 E HA 0.152 4.502 4.350 0.000 0.000 0.264 178 E C 1.334 177.927 176.600 -0.011 0.000 1.066 178 E CA 0.436 56.831 56.400 -0.008 0.000 1.866 178 E CB -0.726 28.974 29.700 -0.002 0.000 3.448 178 E HN 0.815 nan 8.360 nan 0.000 1.014 179 A N 2.100 124.915 122.820 -0.009 0.000 2.070 179 A HA -0.140 4.180 4.320 0.000 0.000 0.220 179 A C 1.528 179.103 177.584 -0.015 0.000 1.159 179 A CA 1.889 53.920 52.037 -0.010 0.000 0.656 179 A CB -0.646 18.349 19.000 -0.008 0.000 0.800 179 A HN 0.478 nan 8.150 nan 0.000 0.453 180 D N -0.923 119.468 120.400 -0.016 0.000 2.587 180 D HA 0.310 4.950 4.640 0.000 0.000 0.233 180 D C -0.260 176.025 176.300 -0.024 0.000 1.213 180 D CA 0.001 53.990 54.000 -0.019 0.000 0.827 180 D CB -0.206 40.584 40.800 -0.017 0.000 1.006 180 D HN 0.340 nan 8.370 nan 0.000 0.490 181 L N 1.046 122.254 121.223 -0.026 0.000 2.476 181 L HA 0.369 4.709 4.340 0.000 0.000 0.269 181 L C -2.534 174.310 176.870 -0.044 0.000 0.965 181 L CA -1.828 52.991 54.840 -0.035 0.000 0.845 181 L CB 3.094 45.136 42.059 -0.030 0.000 1.259 181 L HN -0.208 nan 8.230 nan 0.000 0.403 182 P HA 0.167 nan 4.420 nan 0.000 0.274 182 P C 0.544 177.775 177.300 -0.114 0.000 1.256 182 P CA -0.312 62.743 63.100 -0.076 0.000 0.795 182 P CB 0.864 32.514 31.700 -0.083 0.000 1.038 183 T N 1.280 115.766 114.554 -0.114 0.000 2.567 183 T HA -0.319 4.031 4.350 0.000 0.000 0.261 183 T C 1.876 176.350 174.700 -0.378 0.000 1.123 183 T CA 2.896 64.914 62.100 -0.136 0.000 1.166 183 T CB -1.298 67.520 68.868 -0.084 0.000 0.860 183 T HN 0.600 nan 8.240 nan 0.000 0.436 184 A N 1.053 123.457 122.820 -0.694 0.000 1.986 184 A HA -0.027 4.293 4.320 0.000 0.000 0.220 184 A C 1.938 179.222 177.584 -0.500 0.000 1.171 184 A CA 1.250 52.594 52.037 -1.154 0.000 0.640 184 A CB -0.508 18.051 19.000 -0.735 0.000 0.811 184 A HN 0.432 nan 8.150 nan 0.000 0.451 185 L N -0.793 120.286 121.223 -0.240 0.000 2.611 185 L HA 0.227 4.567 4.340 0.000 0.000 0.229 185 L C 0.840 177.682 176.870 -0.046 0.000 1.137 185 L CA 0.387 55.166 54.840 -0.102 0.000 0.901 185 L CB -1.210 40.809 42.059 -0.068 0.000 1.098 185 L HN 0.318 nan 8.230 nan 0.000 0.456 186 R N 1.742 122.222 120.500 -0.034 0.000 2.390 186 R HA 0.236 4.576 4.340 0.000 0.000 0.291 186 R C -1.886 174.441 176.300 0.044 0.000 1.070 186 R CA -1.449 54.657 56.100 0.011 0.000 1.014 186 R CB 0.682 30.995 30.300 0.021 0.000 1.007 186 R HN -0.011 nan 8.270 nan 0.000 0.466 187 P HA -0.026 nan 4.420 nan 0.000 0.271 187 P C -0.955 176.373 177.300 0.047 0.000 1.244 187 P CA 0.069 63.193 63.100 0.040 0.000 0.793 187 P CB 0.686 32.407 31.700 0.035 0.000 0.984 188 E N -0.788 119.436 120.200 0.040 0.000 2.214 188 E HA 0.270 4.620 4.350 0.000 0.000 0.274 188 E C 0.077 176.714 176.600 0.062 0.000 0.977 188 E CA -0.728 55.693 56.400 0.034 0.000 0.827 188 E CB 1.107 30.797 29.700 -0.017 0.000 1.130 188 E HN 0.367 nan 8.360 nan 0.000 0.394 189 T N 2.141 116.729 114.554 0.057 0.000 2.926 189 T HA -0.028 4.322 4.350 0.000 0.000 0.307 189 T C 1.375 176.133 174.700 0.097 0.000 1.059 189 T CA -0.616 61.523 62.100 0.064 0.000 1.122 189 T CB 0.456 69.351 68.868 0.045 0.000 0.972 189 T HN 0.415 nan 8.240 nan 0.000 0.545 190 L N 3.544 124.824 121.223 0.095 0.000 2.034 190 L HA -0.187 4.153 4.340 0.000 0.000 0.217 190 L C 1.782 178.708 176.870 0.093 0.000 1.077 190 L CA 2.759 57.661 54.840 0.103 0.000 0.769 190 L CB -1.461 40.632 42.059 0.057 0.000 0.890 190 L HN 0.848 nan 8.230 nan 0.000 0.435 191 D N -0.057 120.380 120.400 0.063 0.000 2.178 191 D HA -0.091 4.549 4.640 0.000 0.000 0.202 191 D C 2.274 178.611 176.300 0.062 0.000 0.974 191 D CA 1.200 55.228 54.000 0.048 0.000 0.841 191 D CB -0.048 40.771 40.800 0.031 0.000 0.953 191 D HN 0.488 nan 8.370 nan 0.000 0.478 192 A N 0.301 123.163 122.820 0.069 0.000 1.877 192 A HA -0.223 4.097 4.320 0.000 0.000 0.216 192 A C 2.033 179.673 177.584 0.093 0.000 1.186 192 A CA 1.029 53.098 52.037 0.054 0.000 0.620 192 A CB -0.971 18.047 19.000 0.030 0.000 0.822 192 A HN 0.271 nan 8.150 nan 0.000 0.443 193 Y N 1.053 121.333 120.300 -0.033 0.000 2.049 193 Y HA -0.219 4.331 4.550 -0.000 0.000 0.277 193 Y C 2.577 178.454 175.900 -0.039 0.000 1.143 193 Y CA 1.636 59.706 58.100 -0.049 0.000 1.115 193 Y CB -0.951 37.497 38.460 -0.020 0.000 0.975 193 Y HN 0.076 nan 8.280 nan 0.000 0.487 194 V N 0.706 120.707 119.914 0.145 0.000 2.278 194 V HA -0.397 3.723 4.120 0.000 0.000 0.251 194 V C 2.746 178.869 176.094 0.047 0.000 1.062 194 V CA 2.157 64.471 62.300 0.023 0.000 1.038 194 V CB -1.859 29.956 31.823 -0.013 0.000 0.646 194 V HN 0.537 nan 8.190 nan 0.000 0.447 195 A N -0.093 122.758 122.820 0.052 0.000 1.883 195 A HA -0.320 4.000 4.320 0.000 0.000 0.217 195 A C 2.115 179.721 177.584 0.037 0.000 1.186 195 A CA 2.226 54.283 52.037 0.033 0.000 0.624 195 A CB -0.769 18.246 19.000 0.025 0.000 0.822 195 A HN 0.563 nan 8.150 nan 0.000 0.444 196 D N -0.131 120.297 120.400 0.047 0.000 2.123 196 D HA -0.122 4.518 4.640 0.000 0.000 0.196 196 D C 1.754 178.090 176.300 0.061 0.000 0.992 196 D CA 1.198 55.215 54.000 0.029 0.000 0.833 196 D CB -0.254 40.524 40.800 -0.037 0.000 0.954 196 D HN 0.485 nan 8.370 nan 0.000 0.455 197 I N 0.554 121.179 120.570 0.092 0.000 2.315 197 I HA -0.198 3.972 4.170 0.000 0.000 0.248 197 I C 2.166 178.319 176.117 0.060 0.000 1.117 197 I CA 0.942 62.298 61.300 0.093 0.000 1.404 197 I CB -0.189 37.865 38.000 0.089 0.000 1.071 197 I HN 0.108 nan 8.210 nan 0.000 0.419 198 E N 0.438 120.660 120.200 0.037 0.000 2.072 198 E HA -0.252 4.098 4.350 0.000 0.000 0.191 198 E C 2.241 178.856 176.600 0.026 0.000 0.985 198 E CA 0.786 57.198 56.400 0.020 0.000 0.801 198 E CB -0.210 29.495 29.700 0.009 0.000 0.750 198 E HN 0.401 nan 8.360 nan 0.000 0.452 199 R N 1.354 121.873 120.500 0.031 0.000 2.080 199 R HA -0.160 4.180 4.340 0.000 0.000 0.236 199 R C 2.381 178.705 176.300 0.040 0.000 1.137 199 R CA 1.259 57.373 56.100 0.023 0.000 0.943 199 R CB -0.367 29.950 30.300 0.027 0.000 0.846 199 R HN 0.161 nan 8.270 nan 0.000 0.431 200 L N 0.520 121.809 121.223 0.110 0.000 2.083 200 L HA -0.123 4.217 4.340 0.000 0.000 0.209 200 L C 2.827 179.813 176.870 0.193 0.000 1.083 200 L CA 1.280 56.254 54.840 0.224 0.000 0.752 200 L CB -0.582 41.659 42.059 0.303 0.000 0.899 200 L HN 0.348 nan 8.230 nan 0.000 0.433 201 A N 0.038 122.930 122.820 0.120 0.000 1.933 201 A HA -0.143 4.177 4.320 0.000 0.000 0.218 201 A C 2.469 180.108 177.584 0.091 0.000 1.175 201 A CA 1.790 53.883 52.037 0.094 0.000 0.628 201 A CB -0.577 18.430 19.000 0.013 0.000 0.814 201 A HN 0.406 nan 8.150 nan 0.000 0.444 202 A N -1.087 121.755 122.820 0.036 0.000 2.021 202 A HA 0.042 4.362 4.320 0.000 0.000 0.216 202 A C 2.202 179.752 177.584 -0.057 0.000 1.163 202 A CA 1.248 53.286 52.037 0.001 0.000 0.676 202 A CB -0.314 18.677 19.000 -0.015 0.000 0.818 202 A HN 0.515 nan 8.150 nan 0.000 0.453 203 R N -2.014 118.410 120.500 -0.126 0.000 2.057 203 R HA -0.001 4.339 4.340 0.000 0.000 0.224 203 R C 1.473 177.506 176.300 -0.445 0.000 1.136 203 R CA 1.538 57.422 56.100 -0.361 0.000 0.968 203 R CB -0.110 29.833 30.300 -0.595 0.000 0.863 203 R HN 0.605 nan 8.270 nan 0.000 0.433 204 Y N -1.721 118.519 120.300 -0.100 0.000 2.558 204 Y HA 0.155 4.705 4.550 0.000 0.000 0.273 204 Y C 0.800 176.654 175.900 -0.077 0.000 1.100 204 Y CA -0.322 57.638 58.100 -0.234 0.000 1.276 204 Y CB -0.022 38.040 38.460 -0.662 0.000 1.196 204 Y HN 0.079 nan 8.280 nan 0.000 0.527 205 H N 2.494 121.636 119.070 0.120 0.000 3.046 205 H HA -0.020 4.536 4.556 -0.000 0.000 0.303 205 H C -0.962 174.405 175.328 0.066 0.000 1.002 205 H CA 0.516 56.631 56.048 0.111 0.000 1.460 205 H CB 0.429 30.258 29.762 0.113 0.000 1.493 205 H HN 0.197 nan 8.280 nan 0.000 0.559 206 D N 3.374 123.561 120.400 -0.356 0.000 2.278 206 D HA 0.241 4.881 4.640 0.000 0.000 0.245 206 D C 0.211 176.236 176.300 -0.459 0.000 1.052 206 D CA -0.429 53.416 54.000 -0.259 0.000 0.834 206 D CB 1.567 42.296 40.800 -0.118 0.000 1.194 206 D HN 0.614 nan 8.370 nan 0.000 0.481 207 A N 2.905 125.577 122.820 -0.247 0.000 2.218 207 A HA 0.136 4.456 4.320 0.000 0.000 0.209 207 A C 1.041 178.581 177.584 -0.074 0.000 1.168 207 A CA 0.206 52.157 52.037 -0.143 0.000 0.804 207 A CB -0.426 18.585 19.000 0.019 0.000 0.834 207 A HN 0.575 nan 8.150 nan 0.000 0.482 208 S N 0.531 116.187 115.700 -0.073 0.000 2.576 208 S HA 0.210 4.680 4.470 0.000 0.000 0.272 208 S C -1.464 173.111 174.600 -0.041 0.000 1.352 208 S CA -0.407 57.765 58.200 -0.046 0.000 1.021 208 S CB 0.422 63.599 63.200 -0.039 0.000 0.887 208 S HN 0.259 nan 8.310 nan 0.000 0.542 209 P HA 0.069 nan 4.420 nan 0.000 0.253 209 P C 0.140 177.427 177.300 -0.022 0.000 1.281 209 P CA 0.258 63.341 63.100 -0.029 0.000 0.792 209 P CB -0.369 31.306 31.700 -0.042 0.000 1.193 210 R N -1.694 118.794 120.500 -0.019 0.000 2.569 210 R HA 0.559 4.899 4.340 0.000 0.000 0.429 210 R C -0.194 176.109 176.300 0.006 0.000 0.994 210 R CA -0.563 55.536 56.100 -0.001 0.000 1.089 210 R CB -0.182 30.114 30.300 -0.005 0.000 1.420 210 R HN -0.155 nan 8.270 nan 0.000 0.615 211 A N 1.401 124.219 122.820 -0.005 0.000 2.445 211 A HA 0.328 4.648 4.320 0.000 0.000 0.242 211 A C 0.993 178.604 177.584 0.045 0.000 1.075 211 A CA -0.230 51.806 52.037 -0.003 0.000 0.777 211 A CB 0.276 19.243 19.000 -0.054 0.000 1.013 211 A HN 0.364 nan 8.150 nan 0.000 0.493 212 M N 0.712 120.353 119.600 0.068 0.000 2.502 212 M HA 0.158 4.638 4.480 0.000 0.000 0.243 212 M C 0.496 176.912 176.300 0.193 0.000 1.130 212 M CA 0.980 56.350 55.300 0.118 0.000 1.055 212 M CB -0.729 31.936 32.600 0.108 0.000 1.457 212 M HN 0.696 nan 8.290 nan 0.000 0.488 213 R N -0.186 120.418 120.500 0.173 0.000 2.604 213 R HA 0.606 4.946 4.340 0.000 0.000 0.281 213 R C -0.564 175.867 176.300 0.219 0.000 1.020 213 R CA -0.586 55.691 56.100 0.294 0.000 0.899 213 R CB 2.762 33.168 30.300 0.176 0.000 1.205 213 R HN 0.033 nan 8.270 nan 0.000 0.450 214 R N 1.373 122.094 120.500 0.369 0.000 2.739 214 R HA 0.616 4.956 4.340 0.000 0.000 0.271 214 R C -1.444 175.152 176.300 0.493 0.000 1.010 214 R CA -0.993 55.322 56.100 0.359 0.000 0.897 214 R CB 2.632 33.067 30.300 0.225 0.000 1.236 214 R HN 0.253 nan 8.270 nan 0.000 0.466 215 V N 1.541 121.790 119.914 0.558 0.000 2.760 215 V HA 0.562 4.682 4.120 0.000 0.000 0.309 215 V C -0.752 175.450 176.094 0.179 0.000 1.077 215 V CA -0.820 61.687 62.300 0.346 0.000 0.910 215 V CB 2.213 34.225 31.823 0.316 0.000 1.008 215 V HN 0.596 nan 8.190 nan 0.000 0.424 216 V N 4.410 124.416 119.914 0.154 0.000 2.971 216 V HA 0.742 4.862 4.120 0.000 0.000 0.309 216 V C -0.585 175.569 176.094 0.099 0.000 1.130 216 V CA -0.991 61.368 62.300 0.099 0.000 0.964 216 V CB 2.120 34.027 31.823 0.141 0.000 1.029 216 V HN 0.946 nan 8.190 nan 0.000 0.427 217 M N 5.893 125.523 119.600 0.051 0.000 2.292 217 M HA 0.683 5.163 4.480 0.000 0.000 0.342 217 M C 0.148 176.544 176.300 0.159 0.000 1.538 217 M CA 0.833 56.185 55.300 0.086 0.000 1.163 217 M CB 0.154 32.752 32.600 -0.004 0.000 1.823 217 M HN 1.207 nan 8.290 nan 0.000 0.462 218 A N 7.454 130.427 122.820 0.255 0.000 3.355 218 A HA 0.575 4.895 4.320 0.000 0.000 0.290 218 A C -2.680 175.125 177.584 0.368 0.000 0.973 218 A CA -1.244 50.933 52.037 0.232 0.000 0.933 218 A CB -0.332 18.738 19.000 0.118 0.000 1.138 218 A HN 0.610 nan 8.150 nan 0.000 0.490 219 P HA 0.066 nan 4.420 nan 0.000 0.258 219 P C 1.283 178.708 177.300 0.208 0.000 1.187 219 P CA 0.741 64.014 63.100 0.288 0.000 0.767 219 P CB 0.684 32.450 31.700 0.110 0.000 0.770 220 T N 1.678 116.371 114.554 0.233 0.000 2.321 220 T HA -0.211 4.139 4.350 0.000 0.000 0.224 220 T C 0.675 175.487 174.700 0.187 0.000 1.498 220 T CA 1.853 64.034 62.100 0.136 0.000 1.144 220 T CB -1.188 67.596 68.868 -0.141 0.000 0.853 220 T HN 0.412 nan 8.240 nan 0.000 0.411 221 T N 1.600 116.219 114.554 0.109 0.000 3.253 221 T HA 0.451 4.801 4.350 0.000 0.000 0.391 221 T C 1.151 175.854 174.700 0.005 0.000 1.527 221 T CA -0.348 61.828 62.100 0.127 0.000 1.268 221 T CB 1.219 70.201 68.868 0.189 0.000 1.126 221 T HN 0.133 nan 8.240 nan 0.000 0.620 222 V N 3.337 123.177 119.914 -0.123 0.000 2.418 222 V HA -0.202 3.918 4.120 0.000 0.000 0.258 222 V C 1.776 177.686 176.094 -0.307 0.000 1.088 222 V CA 1.996 64.101 62.300 -0.324 0.000 1.091 222 V CB -0.287 31.137 31.823 -0.664 0.000 0.669 222 V HN 0.783 nan 8.190 nan 0.000 0.461 223 L N -2.181 118.851 121.223 -0.318 0.000 2.612 223 L HA 0.057 4.397 4.340 0.000 0.000 0.230 223 L C 1.409 177.795 176.870 -0.807 0.000 1.140 223 L CA 0.647 55.162 54.840 -0.541 0.000 0.896 223 L CB -0.281 41.376 42.059 -0.670 0.000 1.065 223 L HN 0.431 nan 8.230 nan 0.000 0.447 224 Y N -2.945 117.290 120.300 -0.108 0.000 2.728 224 Y HA 0.052 4.602 4.550 -0.001 0.000 0.267 224 Y C 2.504 178.365 175.900 -0.066 0.000 1.169 224 Y CA -0.009 58.039 58.100 -0.086 0.000 1.168 224 Y CB 0.170 38.581 38.460 -0.082 0.000 1.370 224 Y HN -0.113 nan 8.280 nan 0.000 0.482 225 S N 0.829 116.579 115.700 0.083 0.000 2.419 225 S HA -0.017 4.453 4.470 0.000 0.000 0.235 225 S C 0.509 175.133 174.600 0.041 0.000 1.019 225 S CA 1.160 59.390 58.200 0.050 0.000 0.982 225 S CB -0.107 63.120 63.200 0.045 0.000 0.789 225 S HN 0.187 nan 8.310 nan 0.000 0.490 226 I N 0.273 120.840 120.570 -0.005 0.000 2.894 226 I HA 0.201 4.371 4.170 0.000 0.000 0.302 226 I C -0.239 175.856 176.117 -0.035 0.000 1.188 226 I CA -0.780 60.516 61.300 -0.008 0.000 1.014 226 I CB 2.294 40.284 38.000 -0.017 0.000 1.242 226 I HN 0.059 nan 8.210 nan 0.000 0.430 227 S N 4.795 120.492 115.700 -0.005 0.000 2.585 227 S HA 0.282 4.752 4.470 0.000 0.000 0.273 227 S C -1.807 172.795 174.600 0.002 0.000 1.339 227 S CA -0.832 57.369 58.200 0.002 0.000 1.028 227 S CB 0.956 64.171 63.200 0.025 0.000 0.906 227 S HN 0.476 nan 8.310 nan 0.000 0.528 228 P HA -0.139 nan 4.420 nan 0.000 0.220 228 P C 1.405 178.798 177.300 0.155 0.000 1.148 228 P CA 0.916 64.028 63.100 0.020 0.000 0.803 228 P CB 0.021 31.730 31.700 0.015 0.000 0.782 229 R N 1.030 121.603 120.500 0.121 0.000 2.090 229 R HA -0.084 4.256 4.340 0.000 0.000 0.228 229 R C 2.003 178.353 176.300 0.082 0.000 1.110 229 R CA 1.248 57.409 56.100 0.103 0.000 0.973 229 R CB -0.303 30.037 30.300 0.068 0.000 0.869 229 R HN 0.122 nan 8.270 nan 0.000 0.440 230 E N 0.583 120.820 120.200 0.062 0.000 2.152 230 E HA -0.150 4.200 4.350 0.000 0.000 0.192 230 E C 2.059 178.702 176.600 0.072 0.000 0.983 230 E CA 1.492 57.920 56.400 0.047 0.000 0.818 230 E CB -0.004 29.713 29.700 0.028 0.000 0.758 230 E HN 0.511 nan 8.360 nan 0.000 0.467 231 M N -0.528 119.121 119.600 0.080 0.000 2.319 231 M HA 0.000 4.480 4.480 0.000 0.000 0.265 231 M C 1.923 178.442 176.300 0.366 0.000 1.068 231 M CA 1.194 56.594 55.300 0.166 0.000 1.118 231 M CB -0.221 32.298 32.600 -0.134 0.000 1.395 231 M HN -0.095 nan 8.290 nan 0.000 0.435 232 R N 1.744 122.381 120.500 0.229 0.000 2.061 232 R HA -0.106 4.234 4.340 0.000 0.000 0.230 232 R C 2.383 178.742 176.300 0.097 0.000 1.140 232 R CA 2.104 58.301 56.100 0.160 0.000 0.940 232 R CB -0.496 29.850 30.300 0.077 0.000 0.839 232 R HN 0.683 nan 8.270 nan 0.000 0.429 233 E N -0.074 120.167 120.200 0.069 0.000 2.110 233 E HA -0.165 4.185 4.350 0.000 0.000 0.193 233 E C 1.722 178.335 176.600 0.021 0.000 0.988 233 E CA 1.492 57.909 56.400 0.029 0.000 0.804 233 E CB -0.451 29.259 29.700 0.017 0.000 0.745 233 E HN 0.070 nan 8.360 nan 0.000 0.458 234 T N 0.205 114.795 114.554 0.060 0.000 2.788 234 T HA -0.068 4.282 4.350 0.000 0.000 0.268 234 T C 1.853 176.577 174.700 0.040 0.000 1.044 234 T CA 1.452 63.575 62.100 0.040 0.000 1.139 234 T CB -0.266 68.660 68.868 0.097 0.000 0.867 234 T HN 0.396 nan 8.240 nan 0.000 0.454 235 A N 0.855 123.716 122.820 0.067 0.000 1.898 235 A HA 0.273 4.593 4.320 0.000 0.000 0.216 235 A C 2.647 180.147 177.584 -0.140 0.000 1.181 235 A CA 1.758 53.697 52.037 -0.165 0.000 0.620 235 A CB -1.120 17.730 19.000 -0.249 0.000 0.819 235 A HN 0.557 nan 8.150 nan 0.000 0.442 236 A N -0.415 122.362 122.820 -0.072 0.000 1.940 236 A HA -0.020 4.300 4.320 0.000 0.000 0.219 236 A C 2.212 179.756 177.584 -0.066 0.000 1.176 236 A CA 1.888 53.886 52.037 -0.064 0.000 0.631 236 A CB -0.874 18.104 19.000 -0.038 0.000 0.814 236 A HN 0.395 nan 8.150 nan 0.000 0.446 237 V N -0.242 119.634 119.914 -0.063 0.000 2.307 237 V HA -0.206 3.914 4.120 0.000 0.000 0.245 237 V C 3.045 179.093 176.094 -0.077 0.000 1.045 237 V CA 1.807 64.069 62.300 -0.063 0.000 1.024 237 V CB -1.379 30.406 31.823 -0.064 0.000 0.651 237 V HN 0.614 nan 8.190 nan 0.000 0.449 238 A N 0.307 123.067 122.820 -0.101 0.000 1.865 238 A HA -0.251 4.069 4.320 0.000 0.000 0.217 238 A C 2.393 179.909 177.584 -0.114 0.000 1.191 238 A CA 2.038 54.004 52.037 -0.118 0.000 0.623 238 A CB -0.564 18.338 19.000 -0.163 0.000 0.826 238 A HN 0.488 nan 8.150 nan 0.000 0.444 239 R N -1.124 119.304 120.500 -0.120 0.000 2.096 239 R HA -0.114 4.226 4.340 0.000 0.000 0.235 239 R C 2.489 178.749 176.300 -0.067 0.000 1.127 239 R CA 1.380 57.422 56.100 -0.097 0.000 0.968 239 R CB -0.344 29.894 30.300 -0.104 0.000 0.861 239 R HN 0.603 nan 8.270 nan 0.000 0.440 240 R N 1.096 121.559 120.500 -0.062 0.000 2.096 240 R HA -0.059 4.281 4.340 0.000 0.000 0.235 240 R C 1.736 178.012 176.300 -0.040 0.000 1.127 240 R CA 1.105 57.178 56.100 -0.044 0.000 0.968 240 R CB -0.032 30.244 30.300 -0.040 0.000 0.861 240 R HN 0.187 nan 8.270 nan 0.000 0.440 241 L N -0.100 121.091 121.223 -0.054 0.000 2.592 241 L HA 0.230 4.570 4.340 0.000 0.000 0.227 241 L C 0.805 177.635 176.870 -0.066 0.000 1.127 241 L CA 0.381 55.187 54.840 -0.056 0.000 0.884 241 L CB 0.435 42.450 42.059 -0.072 0.000 1.065 241 L HN 0.532 nan 8.230 nan 0.000 0.457 242 G N 1.102 109.868 108.800 -0.057 0.000 2.246 242 G HA2 -0.263 3.697 3.960 0.000 0.000 0.273 242 G HA3 -0.263 3.697 3.960 0.000 0.000 0.273 242 G C -0.061 174.799 174.900 -0.068 0.000 1.055 242 G CA 0.088 45.169 45.100 -0.032 0.000 0.851 242 G HN 0.257 nan 8.290 nan 0.000 0.500 243 L N -1.149 119.999 121.223 -0.125 0.000 2.332 243 L HA 0.710 5.050 4.340 0.000 0.000 0.269 243 L C 1.118 177.948 176.870 -0.068 0.000 1.016 243 L CA -1.324 53.426 54.840 -0.151 0.000 0.809 243 L CB 1.185 43.125 42.059 -0.198 0.000 1.280 243 L HN 0.079 nan 8.230 nan 0.000 0.447 244 R N 0.897 121.399 120.500 0.002 0.000 2.596 244 R HA 0.660 5.000 4.340 0.000 0.000 0.267 244 R C -0.999 175.274 176.300 -0.045 0.000 1.026 244 R CA -0.739 55.380 56.100 0.033 0.000 1.087 244 R CB 1.448 31.875 30.300 0.212 0.000 1.132 244 R HN 0.496 nan 8.270 nan 0.000 0.531 245 M N 1.138 120.644 119.600 -0.157 0.000 2.456 245 M HA 0.334 4.814 4.480 0.000 0.000 0.324 245 M C -0.483 175.617 176.300 -0.333 0.000 1.124 245 M CA -0.414 54.688 55.300 -0.330 0.000 0.959 245 M CB 2.005 34.066 32.600 -0.899 0.000 1.692 245 M HN 0.493 nan 8.290 nan 0.000 0.444 246 H N 0.677 119.490 119.070 -0.430 0.000 2.974 246 H HA 0.707 5.263 4.556 0.000 0.000 0.366 246 H C -2.090 172.965 175.328 -0.456 0.000 1.155 246 H CA -0.297 55.251 56.048 -0.834 0.000 1.186 246 H CB 2.159 30.962 29.762 -1.599 0.000 1.799 246 H HN 0.714 nan 8.280 nan 0.000 0.541 247 S N 2.153 117.150 115.700 -1.170 0.000 2.587 247 S HA 0.219 4.689 4.470 0.000 0.000 0.269 247 S C -1.789 172.570 174.600 -0.401 0.000 1.154 247 S CA -0.640 57.153 58.200 -0.679 0.000 0.824 247 S CB 1.145 64.193 63.200 -0.252 0.000 1.118 247 S HN 0.802 nan 8.310 nan 0.000 0.462 248 H N 1.357 120.363 119.070 -0.106 0.000 2.742 248 H HA 0.407 4.963 4.556 0.000 0.000 0.302 248 H C -0.322 175.035 175.328 0.047 0.000 1.069 248 H CA -0.054 55.975 56.048 -0.033 0.000 1.446 248 H CB 0.835 30.618 29.762 0.034 0.000 1.462 248 H HN 0.334 nan 8.280 nan 0.000 0.499 249 L N 4.768 126.100 121.223 0.181 0.000 2.287 249 L HA 0.220 4.560 4.340 0.000 0.000 0.280 249 L C 0.151 177.031 176.870 0.016 0.000 1.055 249 L CA -0.367 54.463 54.840 -0.017 0.000 0.863 249 L CB -0.014 41.848 42.059 -0.328 0.000 1.245 249 L HN 0.637 nan 8.230 nan 0.000 0.432 265 K N -0.392 120.033 120.400 0.041 0.000 1.928 265 K HA 0.650 4.970 4.320 0.000 0.000 0.251 265 K C -0.140 176.470 176.600 0.016 0.000 0.713 265 K CA 0.344 56.653 56.287 0.037 0.000 0.547 265 K CB 0.496 33.041 32.500 0.074 0.000 1.755 265 K HN 0.518 nan 8.250 nan 0.000 0.536 266 S N 1.159 116.882 115.700 0.038 0.000 2.563 266 S HA 0.108 4.579 4.470 0.000 0.000 0.284 266 S C -1.840 172.780 174.600 0.034 0.000 1.331 266 S CA -0.579 57.635 58.200 0.022 0.000 1.047 266 S CB 0.405 63.622 63.200 0.029 0.000 0.859 266 S HN 0.268 nan 8.310 nan 0.000 0.514 267 P HA -0.092 nan 4.420 nan 0.000 0.214 267 P C 1.570 178.877 177.300 0.012 0.000 1.163 267 P CA 0.836 63.910 63.100 -0.043 0.000 0.883 267 P CB -0.048 31.595 31.700 -0.096 0.000 0.788 268 V N 0.229 120.134 119.914 -0.015 0.000 2.295 268 V HA -0.258 3.862 4.120 0.000 0.000 0.246 268 V C 2.471 178.610 176.094 0.075 0.000 1.049 268 V CA 2.287 64.584 62.300 -0.005 0.000 1.024 268 V CB -1.831 29.987 31.823 -0.009 0.000 0.648 268 V HN 0.095 nan 8.190 nan 0.000 0.447 269 A N -0.724 122.148 122.820 0.086 0.000 1.978 269 A HA -0.243 4.077 4.320 0.000 0.000 0.220 269 A C 2.101 179.779 177.584 0.157 0.000 1.170 269 A CA 2.014 54.114 52.037 0.104 0.000 0.636 269 A CB -0.679 18.375 19.000 0.090 0.000 0.810 269 A HN 0.526 nan 8.150 nan 0.000 0.448 270 F N 0.126 120.096 119.950 0.033 0.000 2.113 270 F HA -0.184 4.342 4.527 -0.000 0.000 0.297 270 F C 2.518 178.402 175.800 0.140 0.000 1.103 270 F CA 1.538 59.577 58.000 0.065 0.000 1.248 270 F CB -0.638 38.326 39.000 -0.060 0.000 0.999 270 F HN 0.293 nan 8.300 nan 0.000 0.475 271 C N 0.587 120.007 119.300 0.200 0.000 2.413 271 C HA -0.149 4.311 4.460 0.000 0.000 0.276 271 C C 3.090 178.212 174.990 0.220 0.000 1.248 271 C CA 1.318 60.462 59.018 0.210 0.000 1.742 271 C CB -1.932 25.952 27.740 0.239 0.000 2.017 271 C HN 0.728 nan 8.230 nan 0.000 0.481 272 G N -0.217 108.675 108.800 0.153 0.000 2.446 272 G HA2 -0.226 3.734 3.960 0.000 0.000 0.217 272 G HA3 -0.226 3.734 3.960 0.000 0.000 0.217 272 G C 1.451 176.382 174.900 0.051 0.000 1.168 272 G CA 0.684 45.850 45.100 0.109 0.000 0.771 272 G HN 0.678 nan 8.290 nan 0.000 0.551 273 E N -0.156 120.048 120.200 0.006 0.000 2.463 273 E HA -0.049 4.301 4.350 0.000 0.000 0.201 273 E C 0.640 177.041 176.600 -0.331 0.000 1.045 273 E CA 0.306 56.629 56.400 -0.129 0.000 0.872 273 E CB -0.033 29.579 29.700 -0.146 0.000 0.797 273 E HN 0.590 nan 8.360 nan 0.000 0.538 274 H N -0.036 118.941 119.070 -0.154 0.000 2.505 274 H HA 0.074 4.629 4.556 -0.000 0.000 0.260 274 H C -0.597 174.797 175.328 0.109 0.000 1.168 274 H CA -0.220 55.777 56.048 -0.085 0.000 0.945 274 H CB 0.433 30.071 29.762 -0.206 0.000 1.800 274 H HN 0.097 nan 8.280 nan 0.000 0.586 275 D N -0.097 120.368 120.400 0.108 0.000 2.772 275 D HA -0.219 4.421 4.640 0.000 0.000 0.233 275 D C -0.315 175.989 176.300 0.007 0.000 1.143 275 D CA 0.646 54.674 54.000 0.047 0.000 0.700 275 D CB -1.444 39.352 40.800 -0.007 0.000 1.076 275 D HN 0.602 nan 8.370 nan 0.000 0.430 276 W N 0.665 121.996 121.300 0.052 0.000 2.390 276 W HA 0.466 5.125 4.660 -0.000 0.000 0.397 276 W C 0.427 177.035 176.519 0.147 0.000 0.839 276 W CA -0.120 57.279 57.345 0.090 0.000 2.576 276 W CB 0.487 30.030 29.460 0.138 0.000 1.346 276 W HN -0.035 nan 8.180 nan 0.000 0.708 277 L N 0.157 121.466 121.223 0.143 0.000 2.322 277 L HA 0.964 5.304 4.340 0.000 0.000 0.252 277 L C 0.483 177.379 176.870 0.043 0.000 1.055 277 L CA -1.134 53.799 54.840 0.155 0.000 0.849 277 L CB 1.925 44.081 42.059 0.161 0.000 1.446 277 L HN -0.069 nan 8.230 nan 0.000 0.416 278 G N -0.336 108.501 108.800 0.061 0.000 2.428 278 G HA2 -0.089 3.871 3.960 0.000 0.000 0.681 278 G HA3 -0.089 3.871 3.960 0.000 0.000 0.681 278 G C 0.168 175.091 174.900 0.038 0.000 1.340 278 G CA -0.174 44.942 45.100 0.027 0.000 0.915 278 G HN 0.763 nan 8.290 nan 0.000 0.645 279 S N -0.660 115.061 115.700 0.034 0.000 2.584 279 S HA -0.043 4.427 4.470 0.000 0.000 0.240 279 S C 1.318 175.943 174.600 0.041 0.000 0.975 279 S CA 1.661 59.887 58.200 0.044 0.000 0.949 279 S CB 0.123 63.342 63.200 0.032 0.000 0.761 279 S HN 0.614 nan 8.310 nan 0.000 0.536 280 D N 1.264 121.672 120.400 0.012 0.000 2.149 280 D HA 0.045 4.685 4.640 0.000 0.000 0.201 280 D C 0.503 176.807 176.300 0.008 0.000 0.972 280 D CA 0.699 54.691 54.000 -0.014 0.000 0.835 280 D CB 0.259 41.007 40.800 -0.086 0.000 0.966 280 D HN 0.310 nan 8.370 nan 0.000 0.476 281 V N 0.023 119.933 119.914 -0.008 0.000 2.850 281 V HA 0.527 4.647 4.120 0.000 0.000 0.315 281 V C -0.564 175.626 176.094 0.159 0.000 1.064 281 V CA -0.869 61.407 62.300 -0.039 0.000 0.979 281 V CB 1.785 33.484 31.823 -0.205 0.000 1.039 281 V HN 0.247 nan 8.190 nan 0.000 0.452 282 W N 2.346 123.539 121.300 -0.178 0.000 3.425 282 W HA 0.751 5.411 4.660 -0.000 0.000 0.318 282 W C -2.500 173.958 176.519 -0.102 0.000 1.201 282 W CA -1.137 56.170 57.345 -0.062 0.000 1.212 282 W CB 0.677 30.141 29.460 0.007 0.000 1.355 282 W HN 0.464 nan 8.180 nan 0.000 0.515 283 Y N 2.831 123.258 120.300 0.213 0.000 2.487 283 Y HA 0.814 5.364 4.550 0.001 0.000 0.337 283 Y C 0.625 176.584 175.900 0.099 0.000 1.076 283 Y CA -0.889 57.228 58.100 0.027 0.000 1.115 283 Y CB 2.269 40.756 38.460 0.045 0.000 1.235 283 Y HN 0.754 nan 8.280 nan 0.000 0.468 284 A N 0.137 123.025 122.820 0.112 0.000 2.299 284 A HA 0.643 4.963 4.320 0.000 0.000 0.332 284 A C -0.877 176.858 177.584 0.252 0.000 1.131 284 A CA -0.772 51.298 52.037 0.054 0.000 0.844 284 A CB 0.123 18.731 19.000 -0.653 0.000 1.251 284 A HN 0.984 nan 8.150 nan 0.000 0.486 285 H N -1.491 117.669 119.070 0.149 0.000 2.655 285 H HA -0.159 4.397 4.556 -0.000 0.000 0.313 285 H C -0.106 175.275 175.328 0.090 0.000 1.141 285 H CA 1.182 57.307 56.048 0.129 0.000 1.138 285 H CB -1.937 27.892 29.762 0.110 0.000 1.446 285 H HN 0.691 nan 8.280 nan 0.000 0.415 286 L N -2.374 118.968 121.223 0.199 0.000 2.407 286 L HA 0.620 4.960 4.340 0.000 0.000 0.261 286 L C 0.088 177.001 176.870 0.071 0.000 1.108 286 L CA -0.763 54.138 54.840 0.102 0.000 0.995 286 L CB 0.812 42.914 42.059 0.071 0.000 1.349 286 L HN 0.078 nan 8.230 nan 0.000 0.423 287 V N 4.318 124.266 119.914 0.056 0.000 2.837 287 V HA 0.468 4.588 4.120 0.000 0.000 0.310 287 V C 0.034 176.137 176.094 0.015 0.000 1.059 287 V CA -0.496 61.824 62.300 0.033 0.000 1.004 287 V CB 1.269 33.104 31.823 0.021 0.000 1.045 287 V HN 0.912 nan 8.190 nan 0.000 0.465 288 K N 2.706 123.110 120.400 0.008 0.000 6.281 288 K HA -0.073 4.247 4.320 0.000 0.000 0.629 288 K C -1.185 175.413 176.600 -0.003 0.000 1.517 288 K CA 0.271 56.559 56.287 0.001 0.000 1.607 288 K CB -1.269 31.230 32.500 -0.002 0.000 1.837 288 K HN 0.529 nan 8.250 nan 0.000 0.354 289 V N 2.495 122.408 119.914 -0.002 0.000 2.612 289 V HA 0.171 4.291 4.120 0.000 0.000 0.301 289 V C 0.322 176.417 176.094 0.001 0.000 1.059 289 V CA -0.929 61.370 62.300 -0.003 0.000 0.886 289 V CB 1.856 33.679 31.823 -0.001 0.000 1.007 289 V HN 0.652 nan 8.190 nan 0.000 0.426 290 D N 2.683 123.084 120.400 0.001 0.000 2.364 290 D HA 0.133 4.773 4.640 0.000 0.000 0.236 290 D C 1.192 177.498 176.300 0.009 0.000 1.221 290 D CA 0.756 54.759 54.000 0.005 0.000 0.891 290 D CB 1.899 42.702 40.800 0.006 0.000 1.190 290 D HN 0.640 nan 8.370 nan 0.000 0.449 291 A N 2.434 125.261 122.820 0.011 0.000 1.929 291 A HA -0.151 4.169 4.320 0.000 0.000 0.216 291 A C 1.669 179.264 177.584 0.017 0.000 1.176 291 A CA 1.245 53.291 52.037 0.014 0.000 0.628 291 A CB -0.117 18.891 19.000 0.013 0.000 0.816 291 A HN 0.632 nan 8.150 nan 0.000 0.444 292 D N -0.110 120.300 120.400 0.017 0.000 2.178 292 D HA -0.127 4.513 4.640 0.000 0.000 0.202 292 D C 1.699 178.013 176.300 0.024 0.000 0.974 292 D CA 1.247 55.260 54.000 0.020 0.000 0.841 292 D CB -0.297 40.515 40.800 0.020 0.000 0.953 292 D HN 0.633 nan 8.370 nan 0.000 0.478 293 E N 0.380 120.593 120.200 0.020 0.000 2.150 293 E HA -0.060 4.290 4.350 0.000 0.000 0.193 293 E C 2.306 178.922 176.600 0.027 0.000 0.985 293 E CA 0.290 56.703 56.400 0.021 0.000 0.814 293 E CB 0.112 29.818 29.700 0.009 0.000 0.752 293 E HN 0.313 nan 8.360 nan 0.000 0.466 294 I N 0.923 121.508 120.570 0.024 0.000 2.353 294 I HA -0.202 3.968 4.170 0.000 0.000 0.248 294 I C 2.520 178.659 176.117 0.036 0.000 1.119 294 I CA 0.679 61.996 61.300 0.029 0.000 1.417 294 I CB -0.228 37.786 38.000 0.023 0.000 1.078 294 I HN 0.061 nan 8.210 nan 0.000 0.421 295 A N 0.844 123.684 122.820 0.033 0.000 1.902 295 A HA -0.174 4.146 4.320 0.000 0.000 0.217 295 A C 2.349 179.957 177.584 0.041 0.000 1.181 295 A CA 1.336 53.394 52.037 0.035 0.000 0.623 295 A CB -0.808 18.210 19.000 0.030 0.000 0.818 295 A HN 0.386 nan 8.150 nan 0.000 0.443 296 L N -0.685 120.564 121.223 0.043 0.000 2.131 296 L HA -0.138 4.202 4.340 0.000 0.000 0.210 296 L C 2.442 179.351 176.870 0.066 0.000 1.092 296 L CA 1.003 55.874 54.840 0.051 0.000 0.759 296 L CB -0.261 41.829 42.059 0.052 0.000 0.903 296 L HN 0.422 nan 8.230 nan 0.000 0.435 297 L N -1.088 120.176 121.223 0.069 0.000 2.156 297 L HA -0.140 4.200 4.340 0.000 0.000 0.208 297 L C 2.742 179.660 176.870 0.079 0.000 1.095 297 L CA 0.939 55.833 54.840 0.089 0.000 0.770 297 L CB -0.584 41.528 42.059 0.089 0.000 0.914 297 L HN 0.224 nan 8.230 nan 0.000 0.439 298 A N 0.505 123.362 122.820 0.062 0.000 1.897 298 A HA -0.232 4.088 4.320 0.000 0.000 0.215 298 A C 2.260 179.876 177.584 0.053 0.000 1.181 298 A CA 1.542 53.613 52.037 0.057 0.000 0.620 298 A CB -0.472 18.557 19.000 0.049 0.000 0.821 298 A HN 0.588 nan 8.150 nan 0.000 0.443 299 Q N -0.240 119.589 119.800 0.049 0.000 2.172 299 Q HA -0.107 4.233 4.340 0.000 0.000 0.200 299 Q C 1.664 177.691 176.000 0.045 0.000 0.964 299 Q CA 1.954 57.782 55.803 0.043 0.000 0.855 299 Q CB -0.895 27.865 28.738 0.037 0.000 0.918 299 Q HN 0.568 nan 8.270 nan 0.000 0.444 300 T N -3.848 110.739 114.554 0.055 0.000 3.067 300 T HA 0.291 4.641 4.350 0.000 0.000 0.261 300 T C 1.456 176.192 174.700 0.061 0.000 1.110 300 T CA 0.410 62.544 62.100 0.057 0.000 1.113 300 T CB 0.089 69.001 68.868 0.073 0.000 0.917 300 T HN 0.674 nan 8.240 nan 0.000 0.499 301 G N 1.439 110.279 108.800 0.067 0.000 2.147 301 G HA2 -0.238 3.722 3.960 0.000 0.000 0.244 301 G HA3 -0.238 3.722 3.960 0.000 0.000 0.244 301 G C 0.079 175.031 174.900 0.088 0.000 1.005 301 G CA 0.159 45.300 45.100 0.068 0.000 0.713 301 G HN 0.736 nan 8.290 nan 0.000 0.515 302 T N 0.988 115.612 114.554 0.117 0.000 2.851 302 T HA 0.541 4.891 4.350 0.000 0.000 0.298 302 T C 1.113 175.922 174.700 0.182 0.000 0.977 302 T CA 0.389 62.590 62.100 0.169 0.000 1.126 302 T CB 1.758 70.767 68.868 0.235 0.000 0.916 302 T HN 0.967 nan 8.240 nan 0.000 0.529 303 G N 1.084 110.012 108.800 0.214 0.000 2.535 303 G HA2 0.651 4.611 3.960 0.000 0.000 0.303 303 G HA3 0.651 4.611 3.960 0.000 0.000 0.303 303 G C -0.414 174.662 174.900 0.295 0.000 1.237 303 G CA -0.701 44.513 45.100 0.190 0.000 0.986 303 G HN 0.899 nan 8.290 nan 0.000 0.494 304 V N -3.548 116.494 119.914 0.214 0.000 2.962 304 V HA 0.872 4.992 4.120 0.000 0.000 0.313 304 V C -0.193 176.055 176.094 0.257 0.000 1.099 304 V CA -0.976 61.485 62.300 0.269 0.000 0.971 304 V CB 1.618 33.522 31.823 0.135 0.000 1.028 304 V HN 1.435 nan 8.190 nan 0.000 0.430 305 A N 2.276 125.311 122.820 0.358 0.000 2.394 305 A HA 0.501 4.821 4.320 0.000 0.000 0.333 305 A C -0.160 177.584 177.584 0.266 0.000 1.397 305 A CA -0.466 51.758 52.037 0.312 0.000 0.884 305 A CB -0.325 18.943 19.000 0.447 0.000 1.147 305 A HN 1.169 nan 8.150 nan 0.000 0.505 306 H N 1.802 120.909 119.070 0.063 0.000 2.819 306 H HA 0.267 4.823 4.556 0.000 0.000 0.303 306 H C -0.955 174.421 175.328 0.079 0.000 1.058 306 H CA 0.013 56.080 56.048 0.031 0.000 1.471 306 H CB 0.552 30.260 29.762 -0.091 0.000 1.480 306 H HN 0.591 nan 8.280 nan 0.000 0.517 307 C N 9.492 128.697 119.300 -0.158 0.000 3.002 307 C HA 0.172 4.632 4.460 0.000 0.000 0.248 307 C C -1.082 173.742 174.990 -0.277 0.000 1.153 307 C CA -1.161 57.753 59.018 -0.173 0.000 1.502 307 C CB 0.703 28.505 27.740 0.102 0.000 1.805 307 C HN 0.765 nan 8.230 nan 0.000 0.450 308 P HA -0.202 nan 4.420 nan 0.000 0.213 308 P C 1.345 178.572 177.300 -0.122 0.000 1.170 308 P CA 1.800 64.755 63.100 -0.242 0.000 0.898 308 P CB 0.339 31.911 31.700 -0.215 0.000 0.787 309 Q N -0.399 119.336 119.800 -0.108 0.000 2.152 309 Q HA -0.134 4.206 4.340 0.000 0.000 0.206 309 Q C 2.559 178.518 176.000 -0.068 0.000 0.985 309 Q CA 1.841 57.600 55.803 -0.073 0.000 0.863 309 Q CB -0.513 28.186 28.738 -0.064 0.000 0.904 309 Q HN 0.243 nan 8.270 nan 0.000 0.422 310 S N 0.368 116.021 115.700 -0.077 0.000 2.362 310 S HA -0.057 4.413 4.470 0.000 0.000 0.221 310 S C 1.519 176.042 174.600 -0.128 0.000 1.032 310 S CA 0.615 58.770 58.200 -0.075 0.000 0.973 310 S CB -0.032 63.149 63.200 -0.033 0.000 0.849 310 S HN 0.348 nan 8.310 nan 0.000 0.465 311 N N 1.448 120.050 118.700 -0.162 0.000 2.513 311 N HA -0.034 4.706 4.740 0.000 0.000 0.187 311 N C 1.550 177.010 175.510 -0.085 0.000 1.056 311 N CA 0.962 53.920 53.050 -0.153 0.000 0.907 311 N CB -0.807 37.620 38.487 -0.100 0.000 0.954 311 N HN 0.541 nan 8.380 nan 0.000 0.445 312 G N 0.335 109.094 108.800 -0.068 0.000 2.394 312 G HA2 -0.212 3.748 3.960 0.000 0.000 0.215 312 G HA3 -0.212 3.748 3.960 0.000 0.000 0.215 312 G C 1.219 176.092 174.900 -0.044 0.000 1.165 312 G CA -0.071 45.001 45.100 -0.046 0.000 0.784 312 G HN 0.255 nan 8.290 nan 0.000 0.535 313 R N 0.058 120.528 120.500 -0.049 0.000 4.160 313 R HA 0.442 4.782 4.340 0.000 0.000 0.216 313 R C -0.450 175.823 176.300 -0.045 0.000 2.009 313 R CA -0.039 56.037 56.100 -0.040 0.000 1.664 313 R CB -0.685 29.595 30.300 -0.034 0.000 1.216 313 R HN 0.370 nan 8.270 nan 0.000 0.648 321 V N -1.475 118.360 119.914 -0.132 0.000 4.518 321 V HA 0.210 4.330 4.120 0.000 0.000 0.148 321 V C 0.994 177.024 176.094 -0.106 0.000 1.333 321 V CA 0.593 62.741 62.300 -0.253 0.000 1.088 321 V CB -0.247 31.266 31.823 -0.518 0.000 1.192 321 V HN 0.593 nan 8.190 nan 0.000 0.625 322 R N 1.188 121.697 120.500 0.015 0.000 3.688 322 R HA 0.253 4.593 4.340 0.000 0.000 0.194 322 R C 0.532 176.869 176.300 0.062 0.000 1.677 322 R CA 0.779 56.946 56.100 0.111 0.000 1.351 322 R CB -0.227 30.172 30.300 0.166 0.000 1.338 322 R HN 0.660 nan 8.270 nan 0.000 0.731 323 E N 0.551 120.775 120.200 0.041 0.000 2.097 323 E HA -0.035 4.315 4.350 0.000 0.000 0.231 323 E C 1.112 177.729 176.600 0.029 0.000 1.073 323 E CA 0.022 56.441 56.400 0.032 0.000 1.554 323 E CB -0.191 29.518 29.700 0.015 0.000 3.728 323 E HN 0.311 nan 8.360 nan 0.000 1.007 324 M N 1.103 120.706 119.600 0.004 0.000 2.099 324 M HA 0.011 4.491 4.480 0.000 0.000 0.262 324 M C 2.469 178.785 176.300 0.027 0.000 1.067 324 M CA 1.761 57.061 55.300 0.000 0.000 1.124 324 M CB -0.201 32.372 32.600 -0.045 0.000 1.353 324 M HN 0.177 nan 8.290 nan 0.000 0.410 325 A N 0.526 123.371 122.820 0.041 0.000 1.933 325 A HA -0.184 4.136 4.320 0.000 0.000 0.218 325 A C 1.745 179.419 177.584 0.151 0.000 1.175 325 A CA 1.910 54.036 52.037 0.148 0.000 0.628 325 A CB -0.678 18.533 19.000 0.351 0.000 0.814 325 A HN 0.426 nan 8.150 nan 0.000 0.444 326 D N -0.092 120.377 120.400 0.116 0.000 2.183 326 D HA 0.030 4.670 4.640 0.000 0.000 0.203 326 D C 2.127 178.470 176.300 0.071 0.000 0.969 326 D CA 1.246 55.301 54.000 0.092 0.000 0.842 326 D CB -0.291 40.553 40.800 0.074 0.000 0.957 326 D HN 0.437 nan 8.370 nan 0.000 0.484 327 A N 0.134 122.990 122.820 0.061 0.000 2.067 327 A HA 0.203 4.523 4.320 0.000 0.000 0.219 327 A C 1.911 179.529 177.584 0.058 0.000 1.158 327 A CA 1.834 53.901 52.037 0.051 0.000 0.661 327 A CB -0.216 18.809 19.000 0.042 0.000 0.801 327 A HN 0.322 nan 8.150 nan 0.000 0.452 328 G N -1.968 106.875 108.800 0.072 0.000 2.184 328 G HA2 -0.070 3.890 3.960 0.000 0.000 0.206 328 G HA3 -0.070 3.890 3.960 0.000 0.000 0.206 328 G C 0.439 175.385 174.900 0.077 0.000 0.995 328 G CA 0.404 45.551 45.100 0.078 0.000 0.651 328 G HN 1.719 nan 8.290 nan 0.000 0.511 329 V N 1.261 121.214 119.914 0.065 0.000 2.614 329 V HA 0.662 4.782 4.120 0.000 0.000 0.291 329 V C -1.613 174.511 176.094 0.050 0.000 1.049 329 V CA -1.500 60.836 62.300 0.059 0.000 1.038 329 V CB 0.995 32.850 31.823 0.054 0.000 0.980 329 V HN 0.189 nan 8.190 nan 0.000 0.481 330 P HA 0.138 nan 4.420 nan 0.000 0.264 330 P C -0.722 176.552 177.300 -0.044 0.000 1.193 330 P CA 0.194 63.312 63.100 0.031 0.000 0.763 330 P CB 0.925 32.640 31.700 0.025 0.000 0.810 331 V N 3.547 123.384 119.914 -0.129 0.000 2.448 331 V HA 0.432 4.552 4.120 0.000 0.000 0.295 331 V C 0.582 176.511 176.094 -0.276 0.000 1.025 331 V CA -0.246 61.841 62.300 -0.354 0.000 0.859 331 V CB 1.581 32.835 31.823 -0.950 0.000 0.988 331 V HN 0.782 nan 8.190 nan 0.000 0.431 332 S N 5.249 120.848 115.700 -0.167 0.000 2.671 332 S HA 0.829 5.299 4.470 0.000 0.000 0.299 332 S C -0.884 173.732 174.600 0.027 0.000 1.116 332 S CA -0.857 57.304 58.200 -0.064 0.000 0.912 332 S CB 2.091 65.205 63.200 -0.143 0.000 1.130 332 S HN 0.448 nan 8.310 nan 0.000 0.501 333 I N 0.764 121.385 120.570 0.085 0.000 2.530 333 I HA 0.731 4.901 4.170 0.000 0.000 0.297 333 I C 0.498 176.662 176.117 0.078 0.000 1.011 333 I CA -0.642 60.719 61.300 0.101 0.000 1.107 333 I CB 2.077 40.151 38.000 0.123 0.000 1.285 333 I HN 0.973 nan 8.210 nan 0.000 0.436 334 G N 3.419 112.261 108.800 0.071 0.000 2.695 334 G HA2 0.629 4.589 3.960 0.000 0.000 0.290 334 G HA3 0.629 4.589 3.960 0.000 0.000 0.290 334 G C -1.656 173.248 174.900 0.007 0.000 1.410 334 G CA -0.560 44.587 45.100 0.078 0.000 0.844 334 G HN 0.546 nan 8.290 nan 0.000 0.478 335 V N -0.121 119.743 119.914 -0.082 0.000 2.524 335 V HA 0.708 4.828 4.120 0.000 0.000 0.297 335 V C -1.546 174.374 176.094 -0.291 0.000 1.035 335 V CA -0.845 61.358 62.300 -0.162 0.000 0.867 335 V CB 1.579 33.261 31.823 -0.235 0.000 1.004 335 V HN 0.873 nan 8.190 nan 0.000 0.426 336 D N 4.222 124.573 120.400 -0.082 0.000 2.217 336 D HA 0.541 5.181 4.640 0.000 0.000 0.243 336 D C 0.465 176.789 176.300 0.040 0.000 1.054 336 D CA 0.333 54.256 54.000 -0.129 0.000 0.838 336 D CB 1.662 42.461 40.800 -0.002 0.000 1.162 336 D HN 1.655 nan 8.370 nan 0.000 0.472 337 G N 1.520 110.394 108.800 0.124 0.000 2.712 337 G HA2 -0.023 3.938 3.960 0.000 0.000 0.243 337 G HA3 -0.023 3.938 3.960 0.000 0.000 0.243 337 G C 1.058 175.971 174.900 0.022 0.000 0.118 337 G CA -0.047 45.129 45.100 0.127 0.000 1.170 337 G HN 1.005 nan 8.290 nan 0.000 0.560 338 A N 2.452 125.266 122.820 -0.010 0.000 2.245 338 A HA 0.202 4.522 4.320 0.000 0.000 0.217 338 A C 2.665 180.215 177.584 -0.057 0.000 1.171 338 A CA 2.123 54.139 52.037 -0.036 0.000 0.688 338 A CB -0.278 18.700 19.000 -0.037 0.000 0.781 338 A HN 2.268 nan 8.150 nan 0.000 0.479 339 A N -1.384 121.390 122.820 -0.076 0.000 2.067 339 A HA 0.103 4.423 4.320 0.000 0.000 0.217 339 A C 2.177 179.744 177.584 -0.028 0.000 1.156 339 A CA 1.750 53.742 52.037 -0.076 0.000 0.683 339 A CB -0.268 18.666 19.000 -0.109 0.000 0.808 339 A HN 0.571 nan 8.150 nan 0.000 0.455 340 S N -1.597 114.105 115.700 0.004 0.000 2.549 340 S HA 0.163 4.633 4.470 0.000 0.000 0.225 340 S C 0.249 174.847 174.600 -0.002 0.000 1.039 340 S CA -0.170 58.041 58.200 0.017 0.000 0.942 340 S CB -0.192 63.052 63.200 0.073 0.000 0.881 340 S HN 0.630 nan 8.310 nan 0.000 0.503 341 N N 0.743 119.436 118.700 -0.010 0.000 2.640 341 N HA 0.201 4.941 4.740 0.000 0.000 0.262 341 N C -0.407 175.081 175.510 -0.037 0.000 1.174 341 N CA -0.100 52.932 53.050 -0.030 0.000 0.791 341 N CB 0.956 39.419 38.487 -0.040 0.000 1.279 341 N HN -0.069 nan 8.380 nan 0.000 0.535 342 E N 1.469 121.649 120.200 -0.033 0.000 2.265 342 E HA -0.044 4.306 4.350 0.000 0.000 0.196 342 E C 0.509 177.091 176.600 -0.030 0.000 0.996 342 E CA 0.733 57.114 56.400 -0.032 0.000 0.832 342 E CB 0.208 29.891 29.700 -0.028 0.000 0.756 342 E HN 0.523 nan 8.360 nan 0.000 0.491 343 A N 0.477 123.277 122.820 -0.034 0.000 3.173 343 A HA 0.617 4.937 4.320 0.000 0.000 0.304 343 A C 0.302 177.855 177.584 -0.052 0.000 1.318 343 A CA -0.127 51.890 52.037 -0.033 0.000 1.069 343 A CB -0.120 18.865 19.000 -0.026 0.000 1.147 343 A HN 0.100 nan 8.150 nan 0.000 0.547 344 A N 2.447 125.235 122.820 -0.054 0.000 3.063 344 A HA 0.469 4.789 4.320 0.000 0.000 0.263 344 A C 0.017 177.560 177.584 -0.069 0.000 1.736 344 A CA -0.068 51.914 52.037 -0.092 0.000 1.408 344 A CB -0.570 18.381 19.000 -0.083 0.000 1.108 344 A HN 0.720 nan 8.150 nan 0.000 0.621 345 D N 0.172 120.528 120.400 -0.074 0.000 2.756 345 D HA 0.222 4.862 4.640 0.000 0.000 0.226 345 D C 0.496 176.721 176.300 -0.125 0.000 1.186 345 D CA -0.754 53.212 54.000 -0.057 0.000 0.845 345 D CB 0.820 41.607 40.800 -0.021 0.000 1.610 345 D HN 0.014 nan 8.370 nan 0.000 0.465 346 M N 1.189 120.689 119.600 -0.167 0.000 2.358 346 M HA 0.013 4.493 4.480 0.000 0.000 0.264 346 M C 1.854 177.808 176.300 -0.578 0.000 1.064 346 M CA 0.789 55.846 55.300 -0.405 0.000 1.093 346 M CB -0.681 31.597 32.600 -0.536 0.000 1.401 346 M HN 0.548 nan 8.290 nan 0.000 0.440 347 I N -0.775 119.594 120.570 -0.335 0.000 2.277 347 I HA -0.212 3.958 4.170 0.000 0.000 0.243 347 I C 2.246 178.284 176.117 -0.132 0.000 1.094 347 I CA 0.756 61.908 61.300 -0.246 0.000 1.393 347 I CB -0.145 37.797 38.000 -0.096 0.000 1.078 347 I HN 0.168 nan 8.210 nan 0.000 0.417 348 S N 0.295 115.947 115.700 -0.080 0.000 2.370 348 S HA -0.185 4.285 4.470 0.000 0.000 0.226 348 S C 1.915 176.512 174.600 -0.004 0.000 1.033 348 S CA 1.186 59.384 58.200 -0.003 0.000 1.011 348 S CB -0.237 62.952 63.200 -0.017 0.000 0.852 348 S HN 0.382 nan 8.310 nan 0.000 0.457 349 E N 0.797 120.944 120.200 -0.089 0.000 2.047 349 E HA -0.055 4.295 4.350 0.000 0.000 0.191 349 E C 2.272 178.833 176.600 -0.065 0.000 0.987 349 E CA 0.748 57.088 56.400 -0.099 0.000 0.799 349 E CB -0.458 29.152 29.700 -0.150 0.000 0.752 349 E HN 0.299 nan 8.360 nan 0.000 0.449 350 V N 1.007 120.836 119.914 -0.142 0.000 2.515 350 V HA -0.237 3.883 4.120 0.000 0.000 0.250 350 V C 2.414 178.596 176.094 0.145 0.000 1.058 350 V CA 1.765 64.021 62.300 -0.074 0.000 1.064 350 V CB -0.590 31.008 31.823 -0.376 0.000 0.675 350 V HN 0.409 nan 8.190 nan 0.000 0.461 351 H N -1.100 117.983 119.070 0.022 0.000 2.357 351 H HA -0.206 4.350 4.556 0.000 0.000 0.301 351 H C 2.287 177.723 175.328 0.181 0.000 1.082 351 H CA 1.976 58.102 56.048 0.131 0.000 1.342 351 H CB 0.222 30.025 29.762 0.067 0.000 1.389 351 H HN 0.374 nan 8.280 nan 0.000 0.511 352 M N 0.488 120.124 119.600 0.060 0.000 2.175 352 M HA -0.105 4.375 4.480 0.000 0.000 0.264 352 M C 2.074 178.411 176.300 0.062 0.000 1.063 352 M CA 1.559 56.842 55.300 -0.029 0.000 1.119 352 M CB -0.225 32.355 32.600 -0.033 0.000 1.377 352 M HN 0.119 nan 8.290 nan 0.000 0.415 353 T N -0.877 113.768 114.554 0.152 0.000 2.708 353 T HA -0.199 4.151 4.350 0.000 0.000 0.266 353 T C 1.202 176.101 174.700 0.332 0.000 1.037 353 T CA 1.762 64.037 62.100 0.291 0.000 1.146 353 T CB -0.758 68.330 68.868 0.366 0.000 0.865 353 T HN 0.705 nan 8.240 nan 0.000 0.435 354 W N 1.886 123.262 121.300 0.125 0.000 2.355 354 W HA -0.003 4.658 4.660 0.001 0.000 0.309 354 W C 1.804 178.353 176.519 0.050 0.000 1.206 354 W CA 0.728 58.129 57.345 0.094 0.000 1.284 354 W CB -0.735 28.786 29.460 0.102 0.000 1.145 354 W HN 0.145 nan 8.180 nan 0.000 0.502 355 L N 0.491 121.660 121.223 -0.089 0.000 2.042 355 L HA -0.227 4.113 4.340 0.000 0.000 0.210 355 L C 2.670 179.400 176.870 -0.234 0.000 1.076 355 L CA 1.611 56.251 54.840 -0.334 0.000 0.749 355 L CB -1.438 40.468 42.059 -0.255 0.000 0.893 355 L HN 0.106 nan 8.230 nan 0.000 0.432 356 A N -0.944 121.826 122.820 -0.084 0.000 1.972 356 A HA -0.190 4.130 4.320 0.000 0.000 0.219 356 A C 2.159 179.729 177.584 -0.024 0.000 1.169 356 A CA 1.173 53.194 52.037 -0.028 0.000 0.635 356 A CB -0.260 18.775 19.000 0.059 0.000 0.810 356 A HN 0.390 nan 8.150 nan 0.000 0.446 357 Q N -0.394 119.399 119.800 -0.011 0.000 2.378 357 Q HA 0.024 4.364 4.340 0.000 0.000 0.205 357 Q C 1.931 177.862 176.000 -0.114 0.000 0.954 357 Q CA 0.774 56.581 55.803 0.006 0.000 0.901 357 Q CB -0.229 28.575 28.738 0.110 0.000 0.981 357 Q HN 0.697 nan 8.270 nan 0.000 0.483 358 R N -0.088 120.248 120.500 -0.274 0.000 2.161 358 R HA 0.160 4.500 4.340 0.000 0.000 0.213 358 R C 2.114 178.298 176.300 -0.193 0.000 1.055 358 R CA 0.705 56.613 56.100 -0.319 0.000 0.996 358 R CB -0.144 29.807 30.300 -0.582 0.000 0.901 358 R HN 0.151 nan 8.270 nan 0.000 0.456 359 A N 1.775 124.499 122.820 -0.160 0.000 1.917 359 A HA -0.167 4.153 4.320 0.000 0.000 0.219 359 A C 1.511 179.054 177.584 -0.069 0.000 1.182 359 A CA 1.212 53.187 52.037 -0.103 0.000 0.633 359 A CB -0.287 18.667 19.000 -0.077 0.000 0.819 359 A HN 0.195 nan 8.150 nan 0.000 0.448 360 R N -0.170 120.298 120.500 -0.053 0.000 4.031 360 R HA 0.446 4.786 4.340 0.000 0.000 0.269 360 R C -0.349 175.931 176.300 -0.033 0.000 1.668 360 R CA -0.344 55.739 56.100 -0.029 0.000 1.432 360 R CB -0.692 29.605 30.300 -0.006 0.000 1.374 360 R HN 0.490 nan 8.270 nan 0.000 0.681 382 S N -0.526 115.213 115.700 0.065 0.000 2.634 382 S HA 0.606 5.076 4.470 0.000 0.000 0.261 382 S C 1.135 175.796 174.600 0.102 0.000 1.271 382 S CA -0.113 58.158 58.200 0.118 0.000 0.985 382 S CB 0.509 63.718 63.200 0.015 0.000 0.968 382 S HN 0.361 nan 8.310 nan 0.000 0.568 383 I N 1.058 121.628 120.570 -0.001 0.000 2.353 383 I HA -0.009 4.161 4.170 0.000 0.000 0.248 383 I C 2.719 178.758 176.117 -0.130 0.000 1.119 383 I CA 1.606 62.797 61.300 -0.182 0.000 1.417 383 I CB -1.101 36.728 38.000 -0.284 0.000 1.078 383 I HN 0.857 nan 8.210 nan 0.000 0.421 384 A N -0.243 122.502 122.820 -0.124 0.000 1.930 384 A HA -0.202 4.118 4.320 0.000 0.000 0.217 384 A C 2.341 179.831 177.584 -0.157 0.000 1.175 384 A CA 1.446 53.398 52.037 -0.142 0.000 0.627 384 A CB -0.529 18.393 19.000 -0.131 0.000 0.815 384 A HN 0.364 nan 8.150 nan 0.000 0.443 385 E N 0.055 120.131 120.200 -0.207 0.000 2.070 385 E HA -0.161 4.189 4.350 0.000 0.000 0.197 385 E C 2.102 178.316 176.600 -0.644 0.000 1.004 385 E CA 1.800 57.960 56.400 -0.400 0.000 0.805 385 E CB -0.247 29.222 29.700 -0.385 0.000 0.744 385 E HN 0.364 nan 8.360 nan 0.000 0.451 386 V N 1.144 120.824 119.914 -0.390 0.000 2.453 386 V HA -0.187 3.933 4.120 0.000 0.000 0.247 386 V C 2.457 178.616 176.094 0.108 0.000 1.048 386 V CA 1.073 63.274 62.300 -0.165 0.000 1.049 386 V CB -0.352 31.528 31.823 0.094 0.000 0.672 386 V HN 0.230 nan 8.190 nan 0.000 0.457 387 I N -0.326 120.295 120.570 0.086 0.000 2.454 387 I HA -0.271 3.899 4.170 0.000 0.000 0.254 387 I C 2.482 178.718 176.117 0.197 0.000 1.156 387 I CA 1.660 63.076 61.300 0.193 0.000 1.433 387 I CB -0.545 37.405 38.000 -0.084 0.000 1.082 387 I HN 0.466 nan 8.210 nan 0.000 0.432 388 H N 0.403 119.471 119.070 -0.002 0.000 2.326 388 H HA -0.216 4.340 4.556 -0.000 0.000 0.301 388 H C 2.087 177.559 175.328 0.240 0.000 1.081 388 H CA 1.837 57.910 56.048 0.041 0.000 1.334 388 H CB 0.026 29.758 29.762 -0.049 0.000 1.385 388 H HN 0.277 nan 8.280 nan 0.000 0.504 389 W N 0.692 122.034 121.300 0.071 0.000 2.338 389 W HA -0.054 4.606 4.660 -0.000 0.000 0.304 389 W C 2.716 179.273 176.519 0.064 0.000 1.212 389 W CA 1.264 58.623 57.345 0.023 0.000 1.264 389 W CB -1.276 28.255 29.460 0.118 0.000 1.142 389 W HN 0.314 nan 8.180 nan 0.000 0.512 390 G N -1.229 107.835 108.800 0.441 0.000 2.813 390 G HA2 -0.006 3.954 3.960 0.000 0.000 0.209 390 G HA3 -0.006 3.954 3.960 0.000 0.000 0.209 390 G C 1.159 176.355 174.900 0.493 0.000 1.150 390 G CA 1.598 46.981 45.100 0.472 0.000 0.785 390 G HN 0.332 nan 8.290 nan 0.000 0.535 391 T N -2.994 111.726 114.554 0.276 0.000 2.964 391 T HA 0.494 4.844 4.350 0.000 0.000 0.161 391 T C 2.412 177.125 174.700 0.022 0.000 0.859 391 T CA 1.169 63.351 62.100 0.136 0.000 1.015 391 T CB -0.223 68.668 68.868 0.038 0.000 2.138 391 T HN 0.160 nan 8.240 nan 0.000 0.367 392 A N 1.344 124.145 122.820 -0.032 0.000 1.978 392 A HA 0.212 4.532 4.320 0.000 0.000 0.220 392 A C 2.459 179.943 177.584 -0.166 0.000 1.170 392 A CA 2.156 54.157 52.037 -0.058 0.000 0.636 392 A CB -1.754 17.264 19.000 0.029 0.000 0.810 392 A HN 0.844 nan 8.150 nan 0.000 0.448 393 G N -0.623 107.960 108.800 -0.362 0.000 2.402 393 G HA2 0.050 4.010 3.960 0.000 0.000 0.216 393 G HA3 0.050 4.010 3.960 0.000 0.000 0.216 393 G C 1.506 176.319 174.900 -0.145 0.000 1.162 393 G CA 1.157 46.083 45.100 -0.290 0.000 0.777 393 G HN 0.683 nan 8.290 nan 0.000 0.539 394 G N 0.936 109.675 108.800 -0.102 0.000 2.422 394 G HA2 0.112 4.072 3.960 0.000 0.000 0.218 394 G HA3 0.112 4.072 3.960 0.000 0.000 0.218 394 G C 2.017 176.804 174.900 -0.188 0.000 1.140 394 G CA 1.431 46.441 45.100 -0.150 0.000 0.775 394 G HN 0.614 nan 8.290 nan 0.000 0.545 395 A N 0.943 123.702 122.820 -0.103 0.000 1.877 395 A HA -0.021 4.299 4.320 0.000 0.000 0.216 395 A C 2.399 179.927 177.584 -0.094 0.000 1.186 395 A CA 1.504 53.495 52.037 -0.076 0.000 0.620 395 A CB -0.390 18.607 19.000 -0.004 0.000 0.822 395 A HN 0.318 nan 8.150 nan 0.000 0.443 396 R N -0.782 119.673 120.500 -0.075 0.000 2.189 396 R HA -0.011 4.329 4.340 0.000 0.000 0.223 396 R C 1.835 178.067 176.300 -0.113 0.000 1.092 396 R CA 1.060 57.127 56.100 -0.055 0.000 0.989 396 R CB -0.288 30.010 30.300 -0.004 0.000 0.876 396 R HN 0.419 nan 8.270 nan 0.000 0.457 397 V N 0.751 120.535 119.914 -0.216 0.000 2.591 397 V HA -0.132 3.988 4.120 0.000 0.000 0.249 397 V C 2.011 177.810 176.094 -0.491 0.000 1.053 397 V CA 1.414 63.508 62.300 -0.342 0.000 1.068 397 V CB -0.119 31.398 31.823 -0.510 0.000 0.689 397 V HN 0.315 nan 8.190 nan 0.000 0.462 398 M N -0.634 118.669 119.600 -0.495 0.000 2.495 398 M HA 0.268 4.748 4.480 0.000 0.000 0.237 398 M C 1.588 177.809 176.300 -0.131 0.000 1.131 398 M CA 0.946 55.990 55.300 -0.425 0.000 1.032 398 M CB 0.463 32.816 32.600 -0.413 0.000 1.513 398 M HN 0.504 nan 8.290 nan 0.000 0.488 399 G N 1.572 110.314 108.800 -0.097 0.000 2.179 399 G HA2 -0.242 3.718 3.960 0.000 0.000 0.260 399 G HA3 -0.242 3.718 3.960 0.000 0.000 0.260 399 G C 0.173 175.065 174.900 -0.014 0.000 0.977 399 G CA -0.264 44.821 45.100 -0.025 0.000 0.641 399 G HN 0.448 nan 8.290 nan 0.000 0.533 400 L N 1.641 122.848 121.223 -0.027 0.000 2.466 400 L HA 0.261 4.601 4.340 0.000 0.000 0.248 400 L C 0.777 177.654 176.870 0.012 0.000 1.240 400 L CA -0.617 54.219 54.840 -0.007 0.000 1.180 400 L CB 0.328 42.385 42.059 -0.004 0.000 1.413 400 L HN 0.022 nan 8.230 nan 0.000 0.406 401 D N 0.510 120.914 120.400 0.007 0.000 2.350 401 D HA -0.126 4.514 4.640 0.000 0.000 0.216 401 D C 0.966 177.275 176.300 0.016 0.000 0.968 401 D CA 1.070 55.086 54.000 0.026 0.000 0.894 401 D CB 0.353 41.155 40.800 0.003 0.000 0.909 401 D HN 0.547 nan 8.370 nan 0.000 0.520 402 E N 0.267 120.451 120.200 -0.027 0.000 2.496 402 E HA 0.176 4.527 4.350 0.000 0.000 0.202 402 E C -0.488 176.178 176.600 0.110 0.000 1.021 402 E CA -0.111 56.213 56.400 -0.126 0.000 1.015 402 E CB 1.121 30.713 29.700 -0.178 0.000 1.102 402 E HN -0.045 nan 8.360 nan 0.000 0.452 403 V N -0.779 119.249 119.914 0.191 0.000 2.962 403 V HA 0.584 4.704 4.120 0.000 0.000 0.313 403 V C 0.869 177.056 176.094 0.155 0.000 1.099 403 V CA -0.376 62.026 62.300 0.169 0.000 0.971 403 V CB 1.744 33.617 31.823 0.083 0.000 1.028 403 V HN 0.282 nan 8.190 nan 0.000 0.430 404 G N 2.101 110.950 108.800 0.082 0.000 2.157 404 G HA2 -0.185 3.775 3.960 0.000 0.000 0.239 404 G HA3 -0.185 3.775 3.960 0.000 0.000 0.239 404 G C -0.155 174.707 174.900 -0.064 0.000 0.982 404 G CA 0.309 45.419 45.100 0.018 0.000 0.650 404 G HN 0.634 nan 8.290 nan 0.000 0.527 405 K N -0.124 120.180 120.400 -0.160 0.000 2.513 405 K HA 0.517 4.837 4.320 0.000 0.000 0.251 405 K C -0.222 176.174 176.600 -0.340 0.000 0.939 405 K CA -0.792 55.275 56.287 -0.366 0.000 0.793 405 K CB 2.618 34.624 32.500 -0.822 0.000 1.241 405 K HN 0.022 nan 8.250 nan 0.000 0.431 406 V N 3.044 122.813 119.914 -0.240 0.000 2.223 406 V HA 0.389 4.509 4.120 0.000 0.000 0.249 406 V C -0.280 175.704 176.094 -0.183 0.000 1.233 406 V CA -0.276 61.925 62.300 -0.166 0.000 1.131 406 V CB 0.025 31.776 31.823 -0.120 0.000 1.298 406 V HN 0.766 nan 8.190 nan 0.000 0.498 407 A N 3.401 126.098 122.820 -0.205 0.000 2.515 407 A HA 0.739 5.059 4.320 0.000 0.000 0.298 407 A C -0.608 177.013 177.584 0.062 0.000 1.059 407 A CA -0.637 51.327 52.037 -0.122 0.000 0.698 407 A CB 1.978 20.823 19.000 -0.258 0.000 1.289 407 A HN 0.504 nan 8.150 nan 0.000 0.404 408 V N 2.222 122.176 119.914 0.067 0.000 2.599 408 V HA 0.445 4.565 4.120 0.000 0.000 0.300 408 V C 1.286 177.474 176.094 0.156 0.000 1.034 408 V CA 2.462 64.811 62.300 0.082 0.000 1.115 408 V CB 0.487 32.331 31.823 0.035 0.000 0.934 408 V HN 2.571 nan 8.190 nan 0.000 0.485 409 G N 4.413 113.280 108.800 0.112 0.000 2.259 409 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 409 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 409 G C -0.073 174.828 174.900 0.001 0.000 1.001 409 G CA 0.180 45.307 45.100 0.044 0.000 0.627 409 G HN 0.761 nan 8.290 nan 0.000 0.501 410 Y N 1.377 121.665 120.300 -0.021 0.000 2.334 410 Y HA 0.669 5.219 4.550 -0.000 0.000 0.325 410 Y C 1.158 177.046 175.900 -0.021 0.000 1.308 410 Y CA -0.086 58.004 58.100 -0.018 0.000 1.389 410 Y CB 0.748 39.198 38.460 -0.016 0.000 1.328 410 Y HN 0.465 nan 8.280 nan 0.000 0.532 411 A N 0.849 123.759 122.820 0.149 0.000 2.483 411 A HA 0.463 4.783 4.320 0.000 0.000 0.238 411 A C 0.143 177.771 177.584 0.073 0.000 1.070 411 A CA -0.046 52.039 52.037 0.080 0.000 0.770 411 A CB -0.509 18.533 19.000 0.070 0.000 1.008 411 A HN 0.860 nan 8.150 nan 0.000 0.497 412 A N 2.906 125.747 122.820 0.036 0.000 3.037 412 A HA 0.414 4.734 4.320 0.000 0.000 0.272 412 A C -0.493 177.124 177.584 0.054 0.000 1.723 412 A CA -0.344 51.695 52.037 0.004 0.000 1.413 412 A CB -0.515 18.449 19.000 -0.060 0.000 1.112 412 A HN 0.622 nan 8.150 nan 0.000 0.606 413 D N 2.135 122.570 120.400 0.058 0.000 2.472 413 D HA 0.464 5.104 4.640 0.000 0.000 0.234 413 D C -0.419 175.907 176.300 0.043 0.000 1.088 413 D CA 0.322 54.367 54.000 0.075 0.000 0.882 413 D CB 1.086 41.921 40.800 0.059 0.000 1.037 413 D HN 0.419 nan 8.370 nan 0.000 0.520 414 I N 0.657 121.287 120.570 0.100 0.000 2.689 414 I HA 0.597 4.767 4.170 0.000 0.000 0.299 414 I C -0.274 175.849 176.117 0.009 0.000 1.059 414 I CA -1.173 60.157 61.300 0.051 0.000 1.055 414 I CB 2.245 40.284 38.000 0.066 0.000 1.243 414 I HN 0.174 nan 8.210 nan 0.000 0.425 415 A N 5.239 127.964 122.820 -0.159 0.000 2.318 415 A HA 0.773 5.093 4.320 0.000 0.000 0.317 415 A C -0.921 176.357 177.584 -0.509 0.000 1.159 415 A CA -0.509 51.271 52.037 -0.429 0.000 0.799 415 A CB 1.279 19.883 19.000 -0.661 0.000 1.194 415 A HN 0.426 nan 8.150 nan 0.000 0.479 416 V N 3.822 123.450 119.914 -0.478 0.000 2.350 416 V HA 0.305 4.425 4.120 0.000 0.000 0.285 416 V C -1.184 174.678 176.094 -0.387 0.000 1.014 416 V CA -0.301 61.814 62.300 -0.309 0.000 0.831 416 V CB 0.242 32.007 31.823 -0.097 0.000 1.000 416 V HN 0.773 nan 8.190 nan 0.000 0.433 417 Y N 3.464 123.689 120.300 -0.125 0.000 2.342 417 Y HA 0.603 5.153 4.550 0.000 0.000 0.334 417 Y C 0.553 176.359 175.900 -0.157 0.000 1.067 417 Y CA -0.612 57.389 58.100 -0.164 0.000 1.128 417 Y CB 1.260 39.560 38.460 -0.267 0.000 1.200 417 Y HN 0.502 nan 8.280 nan 0.000 0.464 418 R N 3.785 124.302 120.500 0.028 0.000 2.255 418 R HA 0.436 4.776 4.340 0.000 0.000 0.326 418 R C -1.116 175.133 176.300 -0.086 0.000 0.986 418 R CA -0.410 55.680 56.100 -0.016 0.000 0.847 418 R CB 0.367 30.674 30.300 0.012 0.000 1.111 418 R HN 0.845 nan 8.270 nan 0.000 0.452 419 L N 5.394 126.520 121.223 -0.162 0.000 2.796 419 L HA 0.189 4.529 4.340 0.000 0.000 0.235 419 L C 0.160 177.138 176.870 0.180 0.000 1.344 419 L CA -0.182 54.456 54.840 -0.336 0.000 1.245 419 L CB 0.021 41.765 42.059 -0.526 0.000 1.556 419 L HN 0.767 nan 8.230 nan 0.000 0.423 420 D N -2.598 117.927 120.400 0.208 0.000 2.349 420 D HA -0.078 4.562 4.640 0.000 0.000 0.224 420 D C 0.551 177.033 176.300 0.302 0.000 1.029 420 D CA -0.107 54.083 54.000 0.317 0.000 0.879 420 D CB 0.259 41.168 40.800 0.182 0.000 0.906 420 D HN 0.250 nan 8.370 nan 0.000 0.528 421 D N 0.699 121.227 120.400 0.213 0.000 2.256 421 D HA 0.050 4.690 4.640 0.000 0.000 0.250 421 D C -1.312 174.542 176.300 -0.742 0.000 1.093 421 D CA -2.146 51.780 54.000 -0.124 0.000 0.882 421 D CB 1.989 42.757 40.800 -0.053 0.000 1.185 421 D HN -0.143 nan 8.370 nan 0.000 0.437 422 P HA -0.183 nan 4.420 nan 0.000 0.222 422 P C 1.093 177.882 177.300 -0.851 0.000 1.142 422 P CA 0.969 63.111 63.100 -1.596 0.000 0.788 422 P CB -0.043 31.242 31.700 -0.693 0.000 0.767 423 R N -0.935 119.156 120.500 -0.682 0.000 2.193 423 R HA -0.115 4.225 4.340 0.000 0.000 0.229 423 R C 1.651 177.653 176.300 -0.496 0.000 1.110 423 R CA 1.287 57.044 56.100 -0.571 0.000 0.988 423 R CB -1.440 28.447 30.300 -0.688 0.000 0.871 423 R HN 0.240 nan 8.270 nan 0.000 0.458 424 Y N 0.323 120.522 120.300 -0.168 0.000 2.510 424 Y HA 0.242 4.792 4.550 -0.000 0.000 0.273 424 Y C 0.464 176.501 175.900 0.228 0.000 1.119 424 Y CA -0.735 57.379 58.100 0.023 0.000 1.286 424 Y CB 0.218 38.712 38.460 0.056 0.000 1.061 424 Y HN -0.130 nan 8.280 nan 0.000 0.542 425 F N 1.439 121.460 119.950 0.117 0.000 2.538 425 F HA 0.243 4.770 4.527 0.000 0.000 0.382 425 F C 1.224 177.065 175.800 0.069 0.000 1.069 425 F CA 0.436 58.486 58.000 0.084 0.000 1.138 425 F CB 0.179 39.210 39.000 0.053 0.000 1.068 425 F HN 0.325 nan 8.300 nan 0.000 0.556 426 G N 3.700 112.657 108.800 0.262 0.000 2.168 426 G HA2 -0.232 3.728 3.960 0.000 0.000 0.197 426 G HA3 -0.232 3.728 3.960 0.000 0.000 0.197 426 G C -0.365 174.647 174.900 0.186 0.000 0.997 426 G CA -0.836 44.380 45.100 0.192 0.000 0.658 426 G HN 0.529 nan 8.290 nan 0.000 0.513 427 L N 1.109 122.452 121.223 0.201 0.000 2.281 427 L HA 0.449 4.789 4.340 0.000 0.000 0.285 427 L C 1.725 178.751 176.870 0.260 0.000 1.074 427 L CA -1.070 53.876 54.840 0.177 0.000 0.817 427 L CB 0.767 42.926 42.059 0.167 0.000 1.168 427 L HN 0.101 nan 8.230 nan 0.000 0.434 428 H N 0.371 119.478 119.070 0.061 0.000 2.428 428 H HA -0.025 4.532 4.556 0.000 0.000 0.296 428 H C 0.222 175.574 175.328 0.040 0.000 1.062 428 H CA 0.802 56.878 56.048 0.046 0.000 1.350 428 H CB 0.088 29.875 29.762 0.042 0.000 1.403 428 H HN 0.422 nan 8.280 nan 0.000 0.533 429 D N 0.184 120.686 120.400 0.171 0.000 2.434 429 D HA 0.096 4.736 4.640 0.000 0.000 0.275 429 D C -1.831 174.519 176.300 0.084 0.000 1.172 429 D CA -1.990 52.070 54.000 0.099 0.000 0.916 429 D CB 1.066 41.912 40.800 0.076 0.000 1.041 429 D HN 0.100 nan 8.370 nan 0.000 0.501 430 P HA -0.132 nan 4.420 nan 0.000 0.226 430 P C 1.089 178.417 177.300 0.047 0.000 1.146 430 P CA 0.478 63.620 63.100 0.071 0.000 0.773 430 P CB 0.361 32.097 31.700 0.060 0.000 0.772 431 A N -0.079 122.779 122.820 0.063 0.000 2.015 431 A HA -0.084 4.236 4.320 0.000 0.000 0.219 431 A C 2.232 179.898 177.584 0.137 0.000 1.163 431 A CA 0.806 52.908 52.037 0.109 0.000 0.646 431 A CB -1.368 17.680 19.000 0.079 0.000 0.806 431 A HN 0.168 nan 8.150 nan 0.000 0.448 432 I N -0.371 120.231 120.570 0.053 0.000 2.830 432 I HA -0.113 4.057 4.170 0.000 0.000 0.263 432 I C 2.465 178.562 176.117 -0.033 0.000 1.230 432 I CA 0.617 61.907 61.300 -0.016 0.000 1.480 432 I CB -0.197 37.763 38.000 -0.067 0.000 1.095 432 I HN 0.398 nan 8.210 nan 0.000 0.455 433 G N 1.954 110.765 108.800 0.018 0.000 2.529 433 G HA2 -0.231 3.729 3.960 0.000 0.000 0.219 433 G HA3 -0.231 3.729 3.960 0.000 0.000 0.219 433 G C -0.606 174.305 174.900 0.018 0.000 1.177 433 G CA 0.797 45.946 45.100 0.081 0.000 0.773 433 G HN 0.295 nan 8.290 nan 0.000 0.573 434 P HA -0.032 nan 4.420 nan 0.000 0.218 434 P C 1.731 178.947 177.300 -0.140 0.000 1.146 434 P CA 0.900 63.788 63.100 -0.354 0.000 0.813 434 P CB 0.055 31.194 31.700 -0.934 0.000 0.778 435 V N -1.610 118.275 119.914 -0.048 0.000 3.085 435 V HA 0.154 4.274 4.120 0.000 0.000 0.245 435 V C 2.064 178.092 176.094 -0.110 0.000 1.114 435 V CA 1.530 63.807 62.300 -0.039 0.000 1.108 435 V CB -0.792 31.002 31.823 -0.048 0.000 0.798 435 V HN 0.041 nan 8.190 nan 0.000 0.471 436 A N -0.732 121.943 122.820 -0.242 0.000 2.085 436 A HA 0.072 4.392 4.320 0.000 0.000 0.208 436 A C 2.165 179.732 177.584 -0.029 0.000 1.191 436 A CA 1.033 52.974 52.037 -0.160 0.000 0.799 436 A CB -0.064 18.651 19.000 -0.475 0.000 0.877 436 A HN 0.411 nan 8.150 nan 0.000 0.473 437 S N -0.319 115.300 115.700 -0.136 0.000 2.522 437 S HA 0.373 4.843 4.470 0.000 0.000 0.227 437 S C 1.308 175.704 174.600 -0.340 0.000 0.986 437 S CA 0.683 58.772 58.200 -0.186 0.000 0.929 437 S CB -0.428 62.654 63.200 -0.197 0.000 0.769 437 S HN 1.531 nan 8.310 nan 0.000 0.529 438 G N 0.871 109.288 108.800 -0.639 0.000 2.645 438 G HA2 0.183 4.143 3.960 0.000 0.000 0.239 438 G HA3 0.183 4.143 3.960 0.000 0.000 0.239 438 G C 0.521 175.239 174.900 -0.303 0.000 1.331 438 G CA -0.628 44.100 45.100 -0.620 0.000 0.890 438 G HN 1.366 nan 8.290 nan 0.000 0.572 439 G N -0.286 108.404 108.800 -0.182 0.000 2.591 439 G HA2 0.068 4.028 3.960 0.000 0.000 0.298 439 G HA3 0.068 4.028 3.960 0.000 0.000 0.298 439 G C 0.373 175.224 174.900 -0.082 0.000 1.195 439 G CA 1.902 46.925 45.100 -0.128 0.000 0.989 439 G HN 2.194 nan 8.290 nan 0.000 0.551 440 R N 0.524 121.001 120.500 -0.038 0.000 2.792 440 R HA 0.364 4.704 4.340 0.000 0.000 0.285 440 R C -2.792 173.549 176.300 0.068 0.000 1.207 440 R CA -0.802 55.299 56.100 0.002 0.000 1.091 440 R CB 1.595 31.901 30.300 0.009 0.000 1.263 440 R HN 0.630 nan 8.270 nan 0.000 0.403 441 P HA 0.006 nan 4.420 nan 0.000 0.270 441 P C -0.523 176.845 177.300 0.113 0.000 1.223 441 P CA -0.215 62.919 63.100 0.056 0.000 0.785 441 P CB 1.159 32.699 31.700 -0.268 0.000 0.923 442 S N 0.725 116.489 115.700 0.106 0.000 2.448 442 S HA 0.217 4.687 4.470 0.000 0.000 0.279 442 S C 0.287 174.956 174.600 0.115 0.000 1.195 442 S CA -0.847 57.411 58.200 0.097 0.000 1.051 442 S CB -0.759 62.482 63.200 0.067 0.000 0.948 442 S HN 0.286 nan 8.310 nan 0.000 0.493 443 V N 6.195 126.164 119.914 0.092 0.000 2.326 443 V HA 0.217 4.337 4.120 0.000 0.000 0.249 443 V C 1.061 177.118 176.094 -0.061 0.000 1.114 443 V CA -0.325 61.970 62.300 -0.008 0.000 1.028 443 V CB -0.508 31.298 31.823 -0.028 0.000 1.170 443 V HN 1.053 nan 8.190 nan 0.000 0.494 444 M N 3.510 123.066 119.600 -0.072 0.000 2.319 444 M HA 0.488 4.968 4.480 0.000 0.000 0.265 444 M C 0.653 176.881 176.300 -0.120 0.000 1.068 444 M CA 1.753 57.012 55.300 -0.068 0.000 1.118 444 M CB -0.034 32.541 32.600 -0.041 0.000 1.395 444 M HN 0.768 nan 8.290 nan 0.000 0.435 445 A N 0.720 123.431 122.820 -0.181 0.000 2.513 445 A HA 0.670 4.990 4.320 0.000 0.000 0.296 445 A C -1.771 175.598 177.584 -0.359 0.000 1.052 445 A CA -0.740 51.123 52.037 -0.289 0.000 0.714 445 A CB 1.210 20.087 19.000 -0.206 0.000 1.279 445 A HN 0.366 nan 8.150 nan 0.000 0.397 446 L N 2.558 123.504 121.223 -0.462 0.000 2.385 446 L HA 0.776 5.116 4.340 0.000 0.000 0.273 446 L C -1.901 174.668 176.870 -0.501 0.000 0.990 446 L CA -0.598 54.037 54.840 -0.343 0.000 0.821 446 L CB 1.531 43.469 42.059 -0.201 0.000 1.279 446 L HN 0.766 nan 8.230 nan 0.000 0.412 447 F N 2.436 122.344 119.950 -0.070 0.000 2.482 447 F HA 0.374 4.901 4.527 -0.000 0.000 0.331 447 F C 0.289 176.076 175.800 -0.023 0.000 1.115 447 F CA -0.472 57.503 58.000 -0.041 0.000 0.955 447 F CB 2.236 41.210 39.000 -0.044 0.000 1.136 447 F HN 0.321 nan 8.300 nan 0.000 0.452 448 S N 2.648 118.449 115.700 0.169 0.000 2.659 448 S HA 0.590 5.060 4.470 0.000 0.000 0.312 448 S C 0.028 174.699 174.600 0.119 0.000 1.114 448 S CA 0.072 58.342 58.200 0.117 0.000 1.063 448 S CB 0.888 64.136 63.200 0.079 0.000 0.996 448 S HN 1.295 nan 8.310 nan 0.000 0.478 449 A N 3.160 126.041 122.820 0.102 0.000 2.822 449 A HA 0.009 4.329 4.320 0.000 0.000 0.287 449 A C 1.549 179.183 177.584 0.083 0.000 1.479 449 A CA 1.138 53.222 52.037 0.078 0.000 0.779 449 A CB -2.232 16.810 19.000 0.070 0.000 1.022 449 A HN 2.595 nan 8.150 nan 0.000 0.532 450 G N -2.087 106.776 108.800 0.105 0.000 2.162 450 G HA2 -0.287 3.673 3.960 0.000 0.000 0.260 450 G HA3 -0.287 3.673 3.960 0.000 0.000 0.260 450 G C 0.046 175.073 174.900 0.213 0.000 0.976 450 G CA 1.219 46.372 45.100 0.088 0.000 0.655 450 G HN 1.207 nan 8.290 nan 0.000 0.533 451 K N -0.438 120.114 120.400 0.255 0.000 2.207 451 K HA 0.520 4.840 4.320 0.000 0.000 0.255 451 K C 0.194 176.897 176.600 0.172 0.000 0.941 451 K CA -1.013 55.402 56.287 0.213 0.000 0.825 451 K CB 1.680 34.242 32.500 0.104 0.000 1.119 451 K HN 0.126 nan 8.250 nan 0.000 0.430 452 R N 2.571 123.090 120.500 0.031 0.000 2.272 452 R HA 0.071 4.411 4.340 0.000 0.000 0.334 452 R C 0.420 176.599 176.300 -0.202 0.000 1.117 452 R CA -0.058 55.843 56.100 -0.332 0.000 0.966 452 R CB 0.112 30.213 30.300 -0.332 0.000 1.049 452 R HN 0.463 nan 8.270 nan 0.000 0.477 453 V N 4.179 123.970 119.914 -0.204 0.000 2.788 453 V HA 0.011 4.131 4.120 0.000 0.000 0.251 453 V C 0.379 176.398 176.094 -0.124 0.000 1.068 453 V CA 0.757 62.990 62.300 -0.112 0.000 1.090 453 V CB 0.451 32.234 31.823 -0.067 0.000 0.710 453 V HN 0.427 nan 8.190 nan 0.000 0.467 454 V N -0.005 119.792 119.914 -0.195 0.000 2.709 454 V HA 0.574 4.694 4.120 0.000 0.000 0.308 454 V C -0.959 175.020 176.094 -0.192 0.000 1.062 454 V CA -0.582 61.623 62.300 -0.158 0.000 0.901 454 V CB 2.352 34.096 31.823 -0.131 0.000 1.003 454 V HN -0.062 nan 8.190 nan 0.000 0.425 455 V N 3.762 123.601 119.914 -0.124 0.000 2.398 455 V HA 0.483 4.603 4.120 0.000 0.000 0.282 455 V C -0.539 175.515 176.094 -0.065 0.000 1.014 455 V CA -0.335 61.901 62.300 -0.106 0.000 0.838 455 V CB 0.975 32.748 31.823 -0.084 0.000 1.018 455 V HN 1.024 nan 8.190 nan 0.000 0.432 456 D N 5.523 125.887 120.400 -0.060 0.000 2.904 456 D HA -0.172 4.468 4.640 0.000 0.000 0.231 456 D C 0.495 176.782 176.300 -0.021 0.000 1.185 456 D CA 1.325 55.306 54.000 -0.031 0.000 0.783 456 D CB -0.426 40.363 40.800 -0.018 0.000 0.961 456 D HN 0.976 nan 8.370 nan 0.000 0.409 457 D N -1.445 118.943 120.400 -0.021 0.000 3.059 457 D HA -0.240 4.400 4.640 0.000 0.000 0.222 457 D C 0.460 176.752 176.300 -0.014 0.000 1.185 457 D CA 0.891 54.887 54.000 -0.007 0.000 0.904 457 D CB -0.828 39.978 40.800 0.010 0.000 1.122 457 D HN 0.505 nan 8.370 nan 0.000 0.410 458 L N 0.711 121.918 121.223 -0.026 0.000 2.307 458 L HA 0.526 4.866 4.340 0.000 0.000 0.284 458 L C 0.582 177.432 176.870 -0.033 0.000 1.023 458 L CA -0.642 54.183 54.840 -0.025 0.000 0.810 458 L CB 1.669 43.714 42.059 -0.022 0.000 1.231 458 L HN -0.161 nan 8.230 nan 0.000 0.423 459 I N 2.104 122.659 120.570 -0.025 0.000 2.433 459 I HA 0.258 4.428 4.170 0.000 0.000 0.292 459 I C 0.093 176.197 176.117 -0.020 0.000 1.001 459 I CA -0.673 60.611 61.300 -0.026 0.000 1.119 459 I CB 2.137 40.125 38.000 -0.020 0.000 1.289 459 I HN 0.608 nan 8.210 nan 0.000 0.438 460 E N 3.734 123.922 120.200 -0.021 0.000 2.351 460 E HA 0.279 4.629 4.350 0.000 0.000 0.266 460 E C 0.888 177.482 176.600 -0.010 0.000 1.031 460 E CA 1.048 57.439 56.400 -0.014 0.000 0.911 460 E CB 0.461 30.153 29.700 -0.013 0.000 0.986 460 E HN 0.900 nan 8.360 nan 0.000 0.446 461 G N 2.308 111.103 108.800 -0.008 0.000 2.195 461 G HA2 -0.253 3.707 3.960 0.000 0.000 0.224 461 G HA3 -0.253 3.707 3.960 0.000 0.000 0.224 461 G C 0.010 174.905 174.900 -0.009 0.000 0.990 461 G CA 0.011 45.106 45.100 -0.007 0.000 0.639 461 G HN 0.799 nan 8.290 nan 0.000 0.514 462 V N -1.442 118.466 119.914 -0.010 0.000 2.435 462 V HA 0.796 4.916 4.120 0.000 0.000 0.290 462 V C -0.801 175.288 176.094 -0.009 0.000 1.030 462 V CA -0.792 61.502 62.300 -0.010 0.000 0.881 462 V CB 2.163 33.980 31.823 -0.011 0.000 0.983 462 V HN 0.173 nan 8.190 nan 0.000 0.445 463 D N 4.039 124.434 120.400 -0.008 0.000 2.461 463 D HA 0.412 5.052 4.640 0.000 0.000 0.240 463 D C 0.950 177.246 176.300 -0.007 0.000 1.094 463 D CA -0.401 53.595 54.000 -0.007 0.000 0.868 463 D CB 1.550 42.346 40.800 -0.007 0.000 1.062 463 D HN 0.587 nan 8.370 nan 0.000 0.530 464 I N 2.829 123.395 120.570 -0.006 0.000 2.151 464 I HA -0.311 3.859 4.170 0.000 0.000 0.243 464 I C 2.301 178.414 176.117 -0.007 0.000 1.080 464 I CA 1.116 62.413 61.300 -0.006 0.000 1.339 464 I CB 0.029 38.026 38.000 -0.004 0.000 1.039 464 I HN 0.288 nan 8.210 nan 0.000 0.409 465 K N 0.316 120.713 120.400 -0.006 0.000 2.097 465 K HA -0.238 4.082 4.320 0.000 0.000 0.206 465 K C 2.090 178.686 176.600 -0.007 0.000 1.049 465 K CA 1.550 57.834 56.287 -0.006 0.000 0.933 465 K CB -0.178 32.319 32.500 -0.005 0.000 0.717 465 K HN 0.326 nan 8.250 nan 0.000 0.442 466 E N 1.121 121.317 120.200 -0.007 0.000 2.031 466 E HA -0.146 4.204 4.350 0.000 0.000 0.193 466 E C 2.000 178.594 176.600 -0.010 0.000 0.994 466 E CA 0.745 57.140 56.400 -0.008 0.000 0.800 466 E CB 0.015 29.710 29.700 -0.008 0.000 0.752 466 E HN 0.190 nan 8.360 nan 0.000 0.447 467 L N 0.077 121.293 121.223 -0.011 0.000 2.131 467 L HA -0.124 4.216 4.340 0.000 0.000 0.210 467 L C 2.263 179.124 176.870 -0.013 0.000 1.092 467 L CA 1.277 56.109 54.840 -0.014 0.000 0.759 467 L CB -0.486 41.565 42.059 -0.014 0.000 0.903 467 L HN 0.318 nan 8.230 nan 0.000 0.435 468 G N -0.962 107.831 108.800 -0.011 0.000 2.414 468 G HA2 -0.209 3.751 3.960 0.000 0.000 0.215 468 G HA3 -0.209 3.751 3.960 0.000 0.000 0.215 468 G C 1.480 176.373 174.900 -0.011 0.000 1.188 468 G CA 0.595 45.688 45.100 -0.011 0.000 0.783 468 G HN 0.500 nan 8.290 nan 0.000 0.537 469 G N 0.528 109.322 108.800 -0.010 0.000 2.422 469 G HA2 -0.131 3.829 3.960 0.000 0.000 0.218 469 G HA3 -0.131 3.829 3.960 0.000 0.000 0.218 469 G C 1.619 176.511 174.900 -0.012 0.000 1.146 469 G CA 1.117 46.211 45.100 -0.010 0.000 0.769 469 G HN 0.518 nan 8.290 nan 0.000 0.547 470 E N 0.607 120.799 120.200 -0.014 0.000 2.031 470 E HA -0.098 4.252 4.350 0.000 0.000 0.193 470 E C 2.998 179.587 176.600 -0.020 0.000 0.994 470 E CA 0.889 57.279 56.400 -0.017 0.000 0.800 470 E CB -0.244 29.445 29.700 -0.018 0.000 0.752 470 E HN 0.400 nan 8.360 nan 0.000 0.447 471 A N 1.563 124.372 122.820 -0.019 0.000 1.902 471 A HA -0.210 4.110 4.320 0.000 0.000 0.217 471 A C 2.123 179.695 177.584 -0.019 0.000 1.181 471 A CA 1.467 53.492 52.037 -0.020 0.000 0.623 471 A CB -0.499 18.491 19.000 -0.018 0.000 0.818 471 A HN 0.065 nan 8.150 nan 0.000 0.443 472 R N -0.757 119.733 120.500 -0.015 0.000 2.105 472 R HA -0.119 4.221 4.340 0.000 0.000 0.239 472 R C 2.498 178.790 176.300 -0.012 0.000 1.135 472 R CA 1.599 57.691 56.100 -0.013 0.000 0.967 472 R CB -0.176 30.118 30.300 -0.011 0.000 0.861 472 R HN 0.540 nan 8.270 nan 0.000 0.442 473 R N -0.619 119.872 120.500 -0.014 0.000 2.057 473 R HA -0.057 4.283 4.340 0.000 0.000 0.229 473 R C 2.259 178.547 176.300 -0.019 0.000 1.136 473 R CA 1.429 57.520 56.100 -0.015 0.000 0.952 473 R CB -0.314 29.976 30.300 -0.016 0.000 0.848 473 R HN 0.073 nan 8.270 nan 0.000 0.430 474 V N 0.840 120.738 119.914 -0.027 0.000 2.392 474 V HA -0.212 3.908 4.120 0.000 0.000 0.249 474 V C 2.370 178.444 176.094 -0.035 0.000 1.059 474 V CA 1.540 63.816 62.300 -0.040 0.000 1.051 474 V CB -0.382 31.409 31.823 -0.053 0.000 0.658 474 V HN 0.131 nan 8.190 nan 0.000 0.455 475 V N -0.083 119.817 119.914 -0.023 0.000 2.343 475 V HA -0.267 3.853 4.120 0.000 0.000 0.247 475 V C 2.600 178.700 176.094 0.009 0.000 1.051 475 V CA 2.090 64.384 62.300 -0.010 0.000 1.036 475 V CB -0.778 31.038 31.823 -0.013 0.000 0.654 475 V HN 0.488 nan 8.190 nan 0.000 0.451 476 R N 0.023 120.525 120.500 0.002 0.000 2.070 476 R HA -0.191 4.149 4.340 0.000 0.000 0.233 476 R C 2.347 178.652 176.300 0.010 0.000 1.137 476 R CA 1.954 58.059 56.100 0.008 0.000 0.945 476 R CB -0.417 29.883 30.300 0.000 0.000 0.845 476 R HN 0.592 nan 8.270 nan 0.000 0.430 477 E N 0.758 120.956 120.200 -0.004 0.000 2.049 477 E HA -0.237 4.113 4.350 0.000 0.000 0.198 477 E C 2.101 178.701 176.600 -0.000 0.000 1.007 477 E CA 1.387 57.781 56.400 -0.010 0.000 0.809 477 E CB -0.241 29.443 29.700 -0.027 0.000 0.749 477 E HN 0.234 nan 8.360 nan 0.000 0.450 478 L N 0.604 121.832 121.223 0.007 0.000 1.971 478 L HA -0.280 4.060 4.340 0.000 0.000 0.215 478 L C 2.544 179.488 176.870 0.123 0.000 1.072 478 L CA 1.267 56.143 54.840 0.060 0.000 0.758 478 L CB -0.431 41.677 42.059 0.081 0.000 0.889 478 L HN 0.220 nan 8.230 nan 0.000 0.433 479 L N -1.045 120.253 121.223 0.126 0.000 2.042 479 L HA -0.257 4.083 4.340 0.000 0.000 0.210 479 L C 2.842 179.745 176.870 0.056 0.000 1.076 479 L CA 1.300 56.218 54.840 0.130 0.000 0.749 479 L CB -0.521 41.593 42.059 0.092 0.000 0.893 479 L HN 0.246 nan 8.230 nan 0.000 0.432 480 R N 0.015 120.532 120.500 0.027 0.000 2.070 480 R HA -0.170 4.170 4.340 0.000 0.000 0.233 480 R C 2.213 178.504 176.300 -0.015 0.000 1.137 480 R CA 1.606 57.708 56.100 0.004 0.000 0.945 480 R CB -0.333 29.966 30.300 -0.002 0.000 0.845 480 R HN 0.425 nan 8.270 nan 0.000 0.430 481 E N 0.239 120.427 120.200 -0.021 0.000 2.130 481 E HA -0.183 4.167 4.350 0.000 0.000 0.196 481 E C 1.970 178.519 176.600 -0.085 0.000 0.998 481 E CA 1.756 58.129 56.400 -0.045 0.000 0.806 481 E CB -0.097 29.577 29.700 -0.043 0.000 0.738 481 E HN 0.212 nan 8.360 nan 0.000 0.459 482 V N 0.949 120.788 119.914 -0.125 0.000 2.469 482 V HA -0.243 3.877 4.120 0.000 0.000 0.251 482 V C 2.636 178.640 176.094 -0.150 0.000 1.064 482 V CA 1.574 63.731 62.300 -0.238 0.000 1.066 482 V CB -1.484 30.078 31.823 -0.434 0.000 0.667 482 V HN 0.285 nan 8.190 nan 0.000 0.461 483 V N -0.651 119.211 119.914 -0.085 0.000 2.380 483 V HA -0.132 3.988 4.120 0.000 0.000 0.251 483 V C 1.590 177.649 176.094 -0.058 0.000 1.063 483 V CA 1.342 63.607 62.300 -0.057 0.000 1.055 483 V CB -0.972 30.831 31.823 -0.032 0.000 0.657 483 V HN 0.321 nan 8.190 nan 0.000 0.455 484 V N 0.000 119.878 119.914 -0.060 0.000 2.409 484 V HA 0.000 4.120 4.120 0.000 0.000 0.244 484 V CA 0.000 62.269 62.300 -0.051 0.000 1.235 484 V CB 0.000 31.796 31.823 -0.045 0.000 1.184 484 V HN 0.000 nan 8.190 nan 0.000 0.556