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 1m7j_1_A DATA FIRST_RESID 7 DATA SEQUENCE PFDYILSGGT VIDGTNAPGR LADVGVRGDR IAAVGDLSAS SARRRIDVAG DATA SEQUENCE KVVSPGFIDS HTHDDNYLLK HRDMTPKISQ GVTTVVTGNC GISLAPLAHA DATA SEQUENCE NPPAPLDLLD EGGSFRFARF SDYLEALRAA PPAVNAACMV GHSTLRAAVM DATA SEQUENCE PDLRREATAD EIQAMQALAD DALASGAIGI STGAFYPPAA HASTEEIIEV DATA SEQUENCE CRPLITHGGV YATHMRDEGE HIVQALEETF RIGRELDVPV VISHHKVMGK DATA SEQUENCE LNFGRSKETL ALIEAAMASQ DVSLDAYPYV AGSTMLKQDR VLLAGRTLIT DATA SEQUENCE WCKPYPELSG RDLEEIAAER GKSKYDVVPE LQPAGAIYFM MDEPDVQRIL DATA SEQUENCE AFGPTMIGSD GLPHDERPHP RLWGTFPRVL GHYSRDLGLF PLETAVWKMT DATA SEQUENCE GLTAAKFGLA ERGQVQPGYY ADLVVFDPAT VADSATFEHP TERAAGIHSV DATA SEQUENCE YVNGAAVWED QSFTGQHAGR VLNR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 P HA 0.000 nan 4.420 nan 0.000 0.216 7 P C 0.000 177.341 177.300 0.068 0.000 1.155 7 P CA 0.000 63.043 63.100 -0.094 0.000 0.800 7 P CB 0.000 31.668 31.700 -0.053 0.000 0.726 8 F N 0.958 120.885 119.950 -0.038 0.000 2.450 8 F HA 0.137 4.668 4.527 0.006 0.000 0.339 8 F C 1.991 177.763 175.800 -0.046 0.000 1.146 8 F CA -0.135 57.822 58.000 -0.073 0.000 1.267 8 F CB 0.133 39.069 39.000 -0.108 0.000 1.178 8 F HN 0.240 nan 8.300 nan 0.000 0.585 9 D N 0.352 120.832 120.400 0.133 0.000 2.144 9 D HA -0.119 4.525 4.640 0.006 0.000 0.200 9 D C -0.196 176.260 176.300 0.260 0.000 0.978 9 D CA 1.906 55.999 54.000 0.155 0.000 0.833 9 D CB -0.018 40.882 40.800 0.166 0.000 0.961 9 D HN 0.554 nan 8.370 nan 0.000 0.470 10 Y N -2.381 117.979 120.300 0.101 0.000 2.641 10 Y HA 0.548 5.102 4.550 0.005 0.000 0.333 10 Y C -1.570 174.371 175.900 0.069 0.000 1.174 10 Y CA -1.332 56.813 58.100 0.074 0.000 1.057 10 Y CB 0.732 39.214 38.460 0.035 0.000 1.322 10 Y HN -0.321 nan 8.280 nan 0.000 0.457 11 I N 3.033 123.734 120.570 0.219 0.000 2.498 11 I HA 0.367 4.540 4.170 0.006 0.000 0.290 11 I C -1.005 175.207 176.117 0.158 0.000 1.032 11 I CA -0.926 60.451 61.300 0.128 0.000 1.073 11 I CB 2.072 40.160 38.000 0.147 0.000 1.251 11 I HN 0.543 nan 8.210 nan 0.000 0.426 12 L N 6.146 127.430 121.223 0.102 0.000 2.268 12 L HA 0.309 4.652 4.340 0.006 0.000 0.289 12 L C 0.253 177.144 176.870 0.035 0.000 1.064 12 L CA -0.191 54.695 54.840 0.076 0.000 0.824 12 L CB 0.531 42.614 42.059 0.040 0.000 1.202 12 L HN 0.634 nan 8.230 nan 0.000 0.433 13 S N 0.925 116.647 115.700 0.037 0.000 2.475 13 S HA 0.731 5.204 4.470 0.006 0.000 0.298 13 S C 0.852 175.454 174.600 0.003 0.000 1.119 13 S CA 0.035 58.248 58.200 0.022 0.000 1.085 13 S CB 1.887 65.108 63.200 0.035 0.000 1.028 13 S HN 0.927 nan 8.310 nan 0.000 0.489 14 G N 1.561 110.359 108.800 -0.003 0.000 2.176 14 G HA2 -0.089 3.874 3.960 0.006 0.000 0.253 14 G HA3 -0.089 3.874 3.960 0.006 0.000 0.253 14 G C 0.514 175.400 174.900 -0.023 0.000 0.979 14 G CA -0.010 45.084 45.100 -0.011 0.000 0.641 14 G HN 1.335 nan 8.290 nan 0.000 0.530 15 G N -1.187 107.593 108.800 -0.033 0.000 2.583 15 G HA2 0.613 4.576 3.960 0.006 0.000 0.280 15 G HA3 0.613 4.576 3.960 0.006 0.000 0.280 15 G C -0.302 174.571 174.900 -0.045 0.000 1.376 15 G CA 0.424 45.493 45.100 -0.050 0.000 1.043 15 G HN 0.587 nan 8.290 nan 0.000 0.538 16 T N 0.268 114.784 114.554 -0.063 0.000 2.770 16 T HA 0.440 4.793 4.350 0.006 0.000 0.283 16 T C -0.220 174.447 174.700 -0.054 0.000 0.988 16 T CA -0.182 61.887 62.100 -0.051 0.000 0.957 16 T CB 1.484 70.320 68.868 -0.053 0.000 0.930 16 T HN 0.252 nan 8.240 nan 0.000 0.443 17 V N 5.463 125.359 119.914 -0.029 0.000 2.432 17 V HA 0.391 4.515 4.120 0.006 0.000 0.275 17 V C 0.134 176.232 176.094 0.007 0.000 1.043 17 V CA -0.527 61.764 62.300 -0.015 0.000 0.925 17 V CB 0.880 32.695 31.823 -0.014 0.000 0.985 17 V HN 0.789 nan 8.190 nan 0.000 0.466 18 I N 5.107 125.700 120.570 0.038 0.000 2.371 18 I HA 0.261 4.434 4.170 0.006 0.000 0.282 18 I C 0.515 176.693 176.117 0.102 0.000 1.031 18 I CA -0.461 60.889 61.300 0.082 0.000 1.180 18 I CB 1.515 39.597 38.000 0.137 0.000 1.336 18 I HN 0.742 nan 8.210 nan 0.000 0.467 19 D N 4.268 124.710 120.400 0.070 0.000 2.349 19 D HA 0.030 4.673 4.640 0.006 0.000 0.224 19 D C 1.359 177.712 176.300 0.089 0.000 1.029 19 D CA 0.578 54.611 54.000 0.055 0.000 0.879 19 D CB 0.377 41.178 40.800 0.001 0.000 0.906 19 D HN 0.745 nan 8.370 nan 0.000 0.528 20 G N -0.020 108.872 108.800 0.154 0.000 2.176 20 G HA2 -0.311 3.653 3.960 0.006 0.000 0.253 20 G HA3 -0.311 3.653 3.960 0.006 0.000 0.253 20 G C 0.960 176.041 174.900 0.302 0.000 0.979 20 G CA 0.762 45.996 45.100 0.223 0.000 0.641 20 G HN 0.708 nan 8.290 nan 0.000 0.530 21 T N -2.354 112.311 114.554 0.185 0.000 3.134 21 T HA 0.382 4.735 4.350 0.006 0.000 0.260 21 T C 0.757 175.427 174.700 -0.051 0.000 1.027 21 T CA 0.732 62.913 62.100 0.135 0.000 0.913 21 T CB 0.082 68.973 68.868 0.040 0.000 1.046 21 T HN 1.161 nan 8.240 nan 0.000 0.553 22 N N 0.966 119.636 118.700 -0.050 0.000 2.753 22 N HA -0.126 4.618 4.740 0.006 0.000 0.252 22 N C -0.536 174.878 175.510 -0.161 0.000 1.071 22 N CA 0.735 53.645 53.050 -0.234 0.000 0.690 22 N CB -1.480 36.521 38.487 -0.810 0.000 0.906 22 N HN 1.002 nan 8.380 nan 0.000 0.552 23 A N 0.619 123.403 122.820 -0.060 0.000 2.414 23 A HA 0.789 5.113 4.320 0.006 0.000 0.306 23 A C -2.564 175.015 177.584 -0.009 0.000 1.054 23 A CA -1.334 50.677 52.037 -0.044 0.000 0.724 23 A CB 1.400 20.378 19.000 -0.036 0.000 1.267 23 A HN 0.123 nan 8.150 nan 0.000 0.418 24 P HA 0.210 nan 4.420 nan 0.000 0.265 24 P C 0.670 177.978 177.300 0.014 0.000 1.187 24 P CA 0.565 63.671 63.100 0.010 0.000 0.766 24 P CB 0.568 32.270 31.700 0.004 0.000 0.820 25 G N 2.697 111.511 108.800 0.024 0.000 2.554 25 G HA2 0.312 4.275 3.960 0.006 0.000 0.238 25 G HA3 0.312 4.275 3.960 0.006 0.000 0.238 25 G C -0.358 174.545 174.900 0.004 0.000 1.259 25 G CA -0.471 44.639 45.100 0.017 0.000 0.843 25 G HN 0.645 nan 8.290 nan 0.000 0.582 26 R N 0.876 121.374 120.500 -0.003 0.000 2.744 26 R HA 0.491 4.834 4.340 0.006 0.000 0.279 26 R C -0.958 175.335 176.300 -0.012 0.000 0.977 26 R CA -1.125 54.971 56.100 -0.007 0.000 0.906 26 R CB 1.401 31.696 30.300 -0.009 0.000 1.197 26 R HN 0.332 nan 8.270 nan 0.000 0.463 27 L N 2.135 123.352 121.223 -0.011 0.000 2.477 27 L HA 0.459 4.802 4.340 0.006 0.000 0.272 27 L C -0.030 176.833 176.870 -0.012 0.000 1.157 27 L CA 0.280 55.112 54.840 -0.013 0.000 0.889 27 L CB 0.860 42.913 42.059 -0.010 0.000 1.158 27 L HN 0.926 nan 8.230 nan 0.000 0.473 28 A N 3.251 126.062 122.820 -0.015 0.000 2.599 28 A HA 0.557 4.881 4.320 0.006 0.000 0.294 28 A C -1.606 175.971 177.584 -0.013 0.000 1.055 28 A CA -0.917 51.113 52.037 -0.012 0.000 0.683 28 A CB 1.281 20.271 19.000 -0.016 0.000 1.278 28 A HN 0.540 nan 8.150 nan 0.000 0.412 29 D N 0.202 120.598 120.400 -0.005 0.000 2.294 29 D HA 0.556 5.199 4.640 0.006 0.000 0.250 29 D C -0.581 175.707 176.300 -0.020 0.000 1.058 29 D CA -0.073 53.926 54.000 -0.002 0.000 0.950 29 D CB 1.899 42.712 40.800 0.023 0.000 1.158 29 D HN 0.258 nan 8.370 nan 0.000 0.453 30 V N 0.474 120.366 119.914 -0.036 0.000 2.483 30 V HA 0.601 4.724 4.120 0.006 0.000 0.297 30 V C 0.476 176.477 176.094 -0.154 0.000 1.027 30 V CA -0.851 61.392 62.300 -0.094 0.000 0.855 30 V CB 1.780 33.548 31.823 -0.090 0.000 0.995 30 V HN 0.618 nan 8.190 nan 0.000 0.424 31 G N 3.212 111.847 108.800 -0.275 0.000 2.379 31 G HA2 0.645 4.608 3.960 0.006 0.000 0.327 31 G HA3 0.645 4.608 3.960 0.006 0.000 0.327 31 G C -1.132 173.323 174.900 -0.741 0.000 1.145 31 G CA -0.478 44.322 45.100 -0.500 0.000 0.905 31 G HN 0.538 nan 8.290 nan 0.000 0.466 32 V N 2.123 121.556 119.914 -0.803 0.000 2.604 32 V HA 0.633 4.757 4.120 0.006 0.000 0.305 32 V C -0.008 175.752 176.094 -0.556 0.000 1.043 32 V CA -0.930 60.920 62.300 -0.750 0.000 0.888 32 V CB 1.905 33.073 31.823 -1.092 0.000 0.995 32 V HN 0.803 nan 8.190 nan 0.000 0.429 33 R N 2.626 122.918 120.500 -0.347 0.000 2.483 33 R HA 0.595 4.939 4.340 0.006 0.000 0.303 33 R C 0.657 176.914 176.300 -0.071 0.000 0.987 33 R CA 0.608 56.627 56.100 -0.136 0.000 0.881 33 R CB 1.459 31.727 30.300 -0.054 0.000 1.177 33 R HN 1.098 nan 8.270 nan 0.000 0.451 34 G N 4.011 112.808 108.800 -0.005 0.000 2.591 34 G HA2 -0.428 3.536 3.960 0.006 0.000 0.298 34 G HA3 -0.428 3.536 3.960 0.006 0.000 0.298 34 G C 0.206 175.139 174.900 0.054 0.000 1.195 34 G CA 0.704 45.828 45.100 0.039 0.000 0.989 34 G HN 0.810 nan 8.290 nan 0.000 0.551 35 D N 1.044 121.489 120.400 0.076 0.000 2.328 35 D HA 0.192 4.835 4.640 0.006 0.000 0.221 35 D C 0.987 177.358 176.300 0.120 0.000 1.072 35 D CA 0.328 54.411 54.000 0.139 0.000 0.850 35 D CB 0.097 41.029 40.800 0.220 0.000 0.922 35 D HN 0.444 nan 8.370 nan 0.000 0.516 36 R N 0.389 120.884 120.500 -0.009 0.000 2.778 36 R HA 0.485 4.828 4.340 0.006 0.000 0.277 36 R C -0.055 176.155 176.300 -0.150 0.000 0.977 36 R CA -0.972 55.077 56.100 -0.085 0.000 0.950 36 R CB 1.627 31.847 30.300 -0.134 0.000 1.165 36 R HN 0.062 nan 8.270 nan 0.000 0.474 37 I N 2.093 122.584 120.570 -0.132 0.000 2.436 37 I HA 0.000 4.174 4.170 0.006 0.000 0.289 37 I C 1.363 177.329 176.117 -0.251 0.000 1.083 37 I CA 0.214 61.394 61.300 -0.200 0.000 1.372 37 I CB 1.287 39.218 38.000 -0.116 0.000 1.408 37 I HN 0.718 nan 8.210 nan 0.000 0.516 38 A N 5.641 128.203 122.820 -0.430 0.000 1.984 38 A HA 0.588 4.911 4.320 0.006 0.000 0.214 38 A C 0.958 178.327 177.584 -0.358 0.000 1.173 38 A CA 0.997 52.760 52.037 -0.457 0.000 0.673 38 A CB 0.136 18.616 19.000 -0.866 0.000 0.830 38 A HN 0.775 nan 8.150 nan 0.000 0.453 39 A N -1.945 120.639 122.820 -0.394 0.000 2.608 39 A HA 0.583 4.906 4.320 0.006 0.000 0.292 39 A C -1.564 175.932 177.584 -0.146 0.000 1.066 39 A CA -0.296 51.632 52.037 -0.183 0.000 0.676 39 A CB 0.859 19.841 19.000 -0.030 0.000 1.277 39 A HN 0.626 nan 8.150 nan 0.000 0.413 40 V N 0.716 120.586 119.914 -0.074 0.000 2.668 40 V HA 0.885 5.008 4.120 0.006 0.000 0.304 40 V C 0.584 176.663 176.094 -0.025 0.000 1.071 40 V CA 0.560 62.825 62.300 -0.058 0.000 0.894 40 V CB 1.127 32.909 31.823 -0.069 0.000 1.008 40 V HN 2.540 nan 8.190 nan 0.000 0.425 41 G N 3.630 112.423 108.800 -0.012 0.000 2.291 41 G HA2 0.115 4.079 3.960 0.006 0.000 0.249 41 G HA3 0.115 4.079 3.960 0.006 0.000 0.249 41 G C -1.508 173.397 174.900 0.010 0.000 1.340 41 G CA -0.278 44.821 45.100 -0.002 0.000 1.017 41 G HN 0.695 nan 8.290 nan 0.000 0.470 42 D N 1.195 121.602 120.400 0.012 0.000 2.352 42 D HA 0.415 5.059 4.640 0.006 0.000 0.245 42 D C 1.187 177.504 176.300 0.029 0.000 1.224 42 D CA -0.200 53.809 54.000 0.015 0.000 0.879 42 D CB 0.322 41.127 40.800 0.008 0.000 1.057 42 D HN 0.363 nan 8.370 nan 0.000 0.491 43 L N 3.046 124.295 121.223 0.043 0.000 2.872 43 L HA 0.053 4.396 4.340 0.006 0.000 0.245 43 L C 2.072 178.963 176.870 0.036 0.000 1.211 43 L CA -0.192 54.690 54.840 0.070 0.000 1.013 43 L CB -0.102 42.044 42.059 0.144 0.000 1.326 43 L HN 0.312 nan 8.230 nan 0.000 0.525 44 S N 0.460 116.170 115.700 0.016 0.000 2.400 44 S HA -0.204 4.269 4.470 0.006 0.000 0.232 44 S C 1.904 176.492 174.600 -0.020 0.000 1.025 44 S CA 1.072 59.273 58.200 0.001 0.000 0.993 44 S CB -0.187 63.013 63.200 -0.000 0.000 0.808 44 S HN 0.425 nan 8.310 nan 0.000 0.478 45 A N 0.751 123.556 122.820 -0.025 0.000 2.251 45 A HA 0.458 4.781 4.320 0.006 0.000 0.209 45 A C 0.932 178.461 177.584 -0.093 0.000 1.187 45 A CA -0.181 51.828 52.037 -0.047 0.000 0.823 45 A CB -0.166 18.814 19.000 -0.034 0.000 0.846 45 A HN 0.386 nan 8.150 nan 0.000 0.486 46 S N 0.394 116.020 115.700 -0.124 0.000 2.457 46 S HA 0.368 4.841 4.470 0.006 0.000 0.289 46 S C 0.312 174.715 174.600 -0.329 0.000 1.163 46 S CA -0.362 57.656 58.200 -0.303 0.000 1.078 46 S CB 1.234 64.186 63.200 -0.413 0.000 0.987 46 S HN 0.428 nan 8.310 nan 0.000 0.482 47 S N 2.602 118.091 115.700 -0.352 0.000 2.549 47 S HA 0.549 5.022 4.470 0.006 0.000 0.286 47 S C -0.121 174.305 174.600 -0.289 0.000 1.314 47 S CA -0.335 57.716 58.200 -0.249 0.000 1.062 47 S CB 0.097 63.180 63.200 -0.195 0.000 0.865 47 S HN 0.907 nan 8.310 nan 0.000 0.498 48 A N 4.473 127.226 122.820 -0.113 0.000 2.549 48 A HA 0.563 4.886 4.320 0.006 0.000 0.297 48 A C 0.544 178.150 177.584 0.037 0.000 1.061 48 A CA -0.826 51.210 52.037 -0.002 0.000 0.690 48 A CB 1.121 20.171 19.000 0.084 0.000 1.287 48 A HN 0.893 nan 8.150 nan 0.000 0.402 49 R N -0.111 120.435 120.500 0.077 0.000 2.148 49 R HA 0.032 4.375 4.340 0.006 0.000 0.223 49 R C -0.025 176.327 176.300 0.086 0.000 1.088 49 R CA 0.997 57.141 56.100 0.074 0.000 0.985 49 R CB 0.047 30.399 30.300 0.087 0.000 0.880 49 R HN 0.647 nan 8.270 nan 0.000 0.451 50 R N -0.195 120.380 120.500 0.126 0.000 2.651 50 R HA 0.358 4.702 4.340 0.006 0.000 0.278 50 R C -0.945 175.439 176.300 0.139 0.000 1.010 50 R CA -0.744 55.429 56.100 0.122 0.000 0.896 50 R CB 2.340 32.723 30.300 0.138 0.000 1.211 50 R HN -0.122 nan 8.270 nan 0.000 0.456 51 R N 3.263 123.823 120.500 0.101 0.000 2.407 51 R HA 0.387 4.731 4.340 0.006 0.000 0.298 51 R C -0.894 175.456 176.300 0.082 0.000 1.166 51 R CA -0.385 55.772 56.100 0.094 0.000 1.006 51 R CB 0.695 31.032 30.300 0.062 0.000 1.145 51 R HN 0.561 nan 8.270 nan 0.000 0.538 52 I N 2.935 123.566 120.570 0.101 0.000 2.337 52 I HA 0.059 4.232 4.170 0.006 0.000 0.291 52 I C 0.183 176.333 176.117 0.055 0.000 1.046 52 I CA -0.415 60.936 61.300 0.084 0.000 1.324 52 I CB 0.991 39.056 38.000 0.109 0.000 1.409 52 I HN 0.432 nan 8.210 nan 0.000 0.494 53 D N 6.994 127.416 120.400 0.037 0.000 2.358 53 D HA 0.110 4.754 4.640 0.006 0.000 0.258 53 D C 0.448 176.728 176.300 -0.034 0.000 1.223 53 D CA -0.108 53.897 54.000 0.009 0.000 0.886 53 D CB 1.074 41.883 40.800 0.014 0.000 1.120 53 D HN 0.329 nan 8.370 nan 0.000 0.482 54 V N 1.938 121.819 119.914 -0.055 0.000 2.915 54 V HA 0.604 4.728 4.120 0.006 0.000 0.364 54 V C 0.635 176.676 176.094 -0.089 0.000 1.354 54 V CA -0.455 61.771 62.300 -0.124 0.000 1.213 54 V CB -0.344 31.400 31.823 -0.131 0.000 1.268 54 V HN 0.574 nan 8.190 nan 0.000 0.557 55 A N 0.747 123.535 122.820 -0.053 0.000 2.540 55 A HA 0.498 4.821 4.320 0.006 0.000 0.239 55 A C 1.726 179.285 177.584 -0.041 0.000 1.061 55 A CA 1.044 53.059 52.037 -0.037 0.000 0.758 55 A CB -0.517 18.473 19.000 -0.018 0.000 0.991 55 A HN 2.175 nan 8.150 nan 0.000 0.502 56 G N 1.262 110.041 108.800 -0.035 0.000 2.179 56 G HA2 -0.208 3.755 3.960 0.006 0.000 0.260 56 G HA3 -0.208 3.755 3.960 0.006 0.000 0.260 56 G C 0.295 175.166 174.900 -0.048 0.000 0.977 56 G CA 0.767 45.850 45.100 -0.027 0.000 0.641 56 G HN 0.797 nan 8.290 nan 0.000 0.533 57 K N -0.135 120.213 120.400 -0.086 0.000 2.211 57 K HA 0.764 5.087 4.320 0.006 0.000 0.237 57 K C -0.125 176.354 176.600 -0.203 0.000 1.002 57 K CA -0.833 55.371 56.287 -0.139 0.000 0.885 57 K CB 2.287 34.695 32.500 -0.153 0.000 1.136 57 K HN 0.110 nan 8.250 nan 0.000 0.448 58 V N 1.431 121.111 119.914 -0.389 0.000 2.483 58 V HA 0.264 4.387 4.120 0.006 0.000 0.295 58 V C -0.409 175.481 176.094 -0.339 0.000 1.035 58 V CA -0.898 61.130 62.300 -0.453 0.000 0.896 58 V CB 1.890 33.192 31.823 -0.869 0.000 0.986 58 V HN 0.379 nan 8.190 nan 0.000 0.447 59 V N 4.948 124.775 119.914 -0.145 0.000 2.370 59 V HA 0.644 4.768 4.120 0.006 0.000 0.283 59 V C 0.180 176.296 176.094 0.036 0.000 1.023 59 V CA -0.147 62.137 62.300 -0.027 0.000 0.857 59 V CB 1.503 33.319 31.823 -0.012 0.000 0.985 59 V HN 1.032 nan 8.190 nan 0.000 0.443 60 S N 5.685 121.469 115.700 0.139 0.000 2.704 60 S HA 0.826 5.299 4.470 0.006 0.000 0.296 60 S C -3.159 171.547 174.600 0.176 0.000 1.138 60 S CA -1.980 56.355 58.200 0.225 0.000 0.875 60 S CB 2.513 66.010 63.200 0.495 0.000 1.151 60 S HN 0.403 nan 8.310 nan 0.000 0.500 61 P HA 0.302 nan 4.420 nan 0.000 0.272 61 P C 0.258 177.603 177.300 0.076 0.000 1.230 61 P CA 0.037 63.219 63.100 0.138 0.000 0.788 61 P CB -0.009 31.791 31.700 0.166 0.000 0.949 62 G N 1.086 109.886 108.800 -0.001 0.000 2.491 62 G HA2 0.230 4.193 3.960 0.006 0.000 0.238 62 G HA3 0.230 4.193 3.960 0.006 0.000 0.238 62 G C -0.662 174.196 174.900 -0.071 0.000 1.277 62 G CA -0.252 44.745 45.100 -0.172 0.000 0.851 62 G HN 0.212 nan 8.290 nan 0.000 0.573 63 F N 0.393 120.256 119.950 -0.146 0.000 2.443 63 F HA 0.380 4.911 4.527 0.008 0.000 0.353 63 F C 0.882 176.466 175.800 -0.359 0.000 1.101 63 F CA -1.313 56.511 58.000 -0.293 0.000 1.226 63 F CB 0.799 39.468 39.000 -0.553 0.000 1.140 63 F HN 0.142 nan 8.300 nan 0.000 0.557 64 I N 2.915 123.437 120.570 -0.079 0.000 2.330 64 I HA 0.133 4.307 4.170 0.006 0.000 0.289 64 I C -0.218 175.814 176.117 -0.142 0.000 1.001 64 I CA -0.647 60.581 61.300 -0.121 0.000 1.193 64 I CB 1.052 39.025 38.000 -0.045 0.000 1.345 64 I HN 0.395 nan 8.210 nan 0.000 0.461 65 D N 4.678 124.967 120.400 -0.184 0.000 2.352 65 D HA 0.045 4.689 4.640 0.006 0.000 0.245 65 D C 1.305 177.592 176.300 -0.023 0.000 1.224 65 D CA -0.008 54.005 54.000 0.021 0.000 0.879 65 D CB 1.158 41.965 40.800 0.011 0.000 1.057 65 D HN 0.591 nan 8.370 nan 0.000 0.491 66 S N 3.168 118.907 115.700 0.065 0.000 2.447 66 S HA -0.158 4.315 4.470 0.006 0.000 0.233 66 S C 0.902 175.484 174.600 -0.030 0.000 1.006 66 S CA 0.615 58.786 58.200 -0.048 0.000 0.957 66 S CB -0.079 63.245 63.200 0.207 0.000 0.773 66 S HN 0.621 nan 8.310 nan 0.000 0.507 67 H N 1.433 120.489 119.070 -0.023 0.000 3.036 67 H HA 0.407 4.967 4.556 0.006 0.000 0.295 67 H C -0.777 174.485 175.328 -0.110 0.000 1.124 67 H CA 0.114 56.130 56.048 -0.054 0.000 1.507 67 H CB 1.045 30.836 29.762 0.049 0.000 1.591 67 H HN 0.464 nan 8.280 nan 0.000 0.510 68 T N 0.962 115.290 114.554 -0.377 0.000 2.930 68 T HA 0.346 4.700 4.350 0.006 0.000 0.290 68 T C -0.142 174.187 174.700 -0.619 0.000 1.052 68 T CA -0.763 61.148 62.100 -0.315 0.000 1.017 68 T CB 2.061 70.821 68.868 -0.180 0.000 1.137 68 T HN 0.611 nan 8.240 nan 0.000 0.511 69 H N 0.903 119.950 119.070 -0.038 0.000 2.534 69 H HA 0.289 4.848 4.556 0.005 0.000 0.250 69 H C -0.427 174.901 175.328 -0.001 0.000 1.256 69 H CA -0.427 55.618 56.048 -0.005 0.000 1.000 69 H CB 0.273 30.067 29.762 0.054 0.000 1.801 69 H HN 0.624 nan 8.280 nan 0.000 0.569 70 D N 0.293 120.696 120.400 0.005 0.000 2.328 70 D HA -0.027 4.616 4.640 0.006 0.000 0.221 70 D C 0.992 177.358 176.300 0.110 0.000 1.072 70 D CA 0.079 54.105 54.000 0.042 0.000 0.850 70 D CB 0.331 41.118 40.800 -0.023 0.000 0.922 70 D HN 0.352 nan 8.370 nan 0.000 0.516 71 D N 0.685 121.134 120.400 0.081 0.000 2.154 71 D HA -0.217 4.427 4.640 0.006 0.000 0.190 71 D C 1.730 178.107 176.300 0.128 0.000 1.003 71 D CA 1.183 55.215 54.000 0.054 0.000 0.849 71 D CB -0.150 40.571 40.800 -0.132 0.000 0.942 71 D HN 0.131 nan 8.370 nan 0.000 0.446 72 N N -1.412 117.374 118.700 0.142 0.000 2.395 72 N HA -0.101 4.643 4.740 0.006 0.000 0.175 72 N C 1.430 177.101 175.510 0.269 0.000 1.029 72 N CA 0.312 53.461 53.050 0.165 0.000 0.897 72 N CB -0.207 38.309 38.487 0.048 0.000 0.991 72 N HN 0.140 nan 8.380 nan 0.000 0.441 73 Y N 0.941 121.364 120.300 0.206 0.000 2.274 73 Y HA -0.023 4.531 4.550 0.006 0.000 0.290 73 Y C 1.779 177.710 175.900 0.051 0.000 1.145 73 Y CA 1.278 59.451 58.100 0.122 0.000 1.203 73 Y CB -0.117 38.278 38.460 -0.108 0.000 0.984 73 Y HN 0.079 nan 8.280 nan 0.000 0.533 74 L N -0.905 120.383 121.223 0.108 0.000 2.131 74 L HA -0.255 4.089 4.340 0.006 0.000 0.210 74 L C 2.077 178.899 176.870 -0.081 0.000 1.092 74 L CA 1.110 55.947 54.840 -0.005 0.000 0.759 74 L CB -0.461 41.590 42.059 -0.012 0.000 0.903 74 L HN 0.271 nan 8.230 nan 0.000 0.435 75 L N -1.108 120.081 121.223 -0.057 0.000 2.202 75 L HA -0.047 4.296 4.340 0.006 0.000 0.205 75 L C 2.369 179.137 176.870 -0.170 0.000 1.083 75 L CA 0.638 55.423 54.840 -0.092 0.000 0.790 75 L CB -0.261 41.797 42.059 -0.002 0.000 0.942 75 L HN 0.107 nan 8.230 nan 0.000 0.452 76 K N -1.239 119.018 120.400 -0.238 0.000 2.323 76 K HA 0.150 4.473 4.320 0.006 0.000 0.197 76 K C 0.127 176.154 176.600 -0.956 0.000 1.043 76 K CA 0.650 56.640 56.287 -0.495 0.000 0.997 76 K CB 0.310 32.562 32.500 -0.415 0.000 0.807 76 K HN 0.292 nan 8.250 nan 0.000 0.497 77 H N 0.395 119.203 119.070 -0.437 0.000 2.490 77 H HA 0.287 4.846 4.556 0.006 0.000 0.230 77 H C 0.529 175.640 175.328 -0.363 0.000 1.417 77 H CA -0.182 55.565 56.048 -0.502 0.000 1.449 77 H CB 0.632 29.742 29.762 -1.087 0.000 1.649 77 H HN -0.033 nan 8.280 nan 0.000 0.519 78 R N 0.576 120.968 120.500 -0.181 0.000 2.159 78 R HA -0.121 4.222 4.340 0.006 0.000 0.237 78 R C 1.569 177.749 176.300 -0.199 0.000 1.131 78 R CA 1.601 57.636 56.100 -0.108 0.000 0.982 78 R CB 0.137 30.411 30.300 -0.044 0.000 0.868 78 R HN 0.567 nan 8.270 nan 0.000 0.453 79 D N 0.566 120.741 120.400 -0.376 0.000 2.178 79 D HA -0.211 4.433 4.640 0.006 0.000 0.201 79 D C 0.705 176.647 176.300 -0.597 0.000 0.980 79 D CA 0.636 54.030 54.000 -1.010 0.000 0.842 79 D CB -0.061 40.340 40.800 -0.664 0.000 0.948 79 D HN 0.039 nan 8.370 nan 0.000 0.472 80 M N 0.682 120.139 119.600 -0.238 0.000 2.393 80 M HA -0.175 4.309 4.480 0.006 0.000 0.201 80 M C 0.776 176.953 176.300 -0.205 0.000 0.403 80 M CA 0.626 55.861 55.300 -0.109 0.000 0.471 80 M CB -2.903 29.614 32.600 -0.139 0.000 1.669 80 M HN 0.086 nan 8.290 nan 0.000 0.864 81 T N 0.021 114.478 114.554 -0.160 0.000 2.737 81 T HA -0.119 4.234 4.350 0.006 0.000 0.269 81 T C -0.766 173.582 174.700 -0.585 0.000 1.040 81 T CA 1.971 63.953 62.100 -0.198 0.000 1.142 81 T CB -0.602 68.343 68.868 0.129 0.000 0.861 81 T HN 0.391 nan 8.240 nan 0.000 0.456 82 P HA -0.053 nan 4.420 nan 0.000 0.218 82 P C 1.452 178.226 177.300 -0.877 0.000 1.148 82 P CA 1.137 63.199 63.100 -1.731 0.000 0.822 82 P CB 0.064 30.747 31.700 -1.695 0.000 0.784 83 K N -0.459 119.603 120.400 -0.563 0.000 2.141 83 K HA 0.131 4.454 4.320 0.006 0.000 0.202 83 K C 2.143 178.529 176.600 -0.357 0.000 1.045 83 K CA 0.850 56.920 56.287 -0.362 0.000 0.971 83 K CB -1.109 31.227 32.500 -0.275 0.000 0.795 83 K HN 0.273 nan 8.250 nan 0.000 0.459 84 I N 0.367 120.708 120.570 -0.382 0.000 2.493 84 I HA -0.163 4.010 4.170 0.006 0.000 0.254 84 I C 2.002 177.679 176.117 -0.733 0.000 1.160 84 I CA 1.569 62.637 61.300 -0.387 0.000 1.445 84 I CB -0.664 37.221 38.000 -0.193 0.000 1.086 84 I HN -0.046 nan 8.210 nan 0.000 0.433 85 S N 0.755 115.831 115.700 -1.040 0.000 2.507 85 S HA -0.134 4.339 4.470 0.006 0.000 0.235 85 S C 1.724 175.972 174.600 -0.586 0.000 0.988 85 S CA 0.838 58.170 58.200 -1.446 0.000 0.944 85 S CB -0.526 62.082 63.200 -0.986 0.000 0.762 85 S HN 0.725 nan 8.310 nan 0.000 0.526 86 Q N 0.198 119.808 119.800 -0.316 0.000 2.282 86 Q HA 0.382 4.725 4.340 0.006 0.000 0.206 86 Q C 1.173 177.211 176.000 0.064 0.000 0.878 86 Q CA 0.228 56.023 55.803 -0.014 0.000 0.944 86 Q CB 0.628 29.456 28.738 0.149 0.000 1.100 86 Q HN 0.728 nan 8.270 nan 0.000 0.509 87 G N 0.625 109.323 108.800 -0.170 0.000 2.176 87 G HA2 -0.224 3.740 3.960 0.006 0.000 0.232 87 G HA3 -0.224 3.740 3.960 0.006 0.000 0.232 87 G C 0.150 174.778 174.900 -0.453 0.000 0.986 87 G CA -0.193 44.694 45.100 -0.355 0.000 0.643 87 G HN 0.192 nan 8.290 nan 0.000 0.522 88 V N 1.819 121.555 119.914 -0.297 0.000 2.555 88 V HA 0.486 4.610 4.120 0.006 0.000 0.286 88 V C 1.645 177.590 176.094 -0.249 0.000 1.044 88 V CA 1.273 63.376 62.300 -0.329 0.000 1.026 88 V CB 1.313 32.923 31.823 -0.354 0.000 0.981 88 V HN 0.720 nan 8.190 nan 0.000 0.480 89 T N -0.410 114.019 114.554 -0.209 0.000 2.959 89 T HA 0.191 4.544 4.350 0.006 0.000 0.254 89 T C 0.541 175.171 174.700 -0.116 0.000 1.003 89 T CA 0.027 62.047 62.100 -0.134 0.000 0.950 89 T CB 0.453 69.267 68.868 -0.091 0.000 1.090 89 T HN 0.569 nan 8.240 nan 0.000 0.503 90 T N 2.307 116.778 114.554 -0.139 0.000 2.952 90 T HA 0.645 4.999 4.350 0.006 0.000 0.305 90 T C -1.055 173.549 174.700 -0.160 0.000 1.064 90 T CA -0.680 61.341 62.100 -0.132 0.000 1.008 90 T CB 2.280 71.080 68.868 -0.113 0.000 1.078 90 T HN 0.424 nan 8.240 nan 0.000 0.459 91 V N 0.442 120.264 119.914 -0.153 0.000 2.604 91 V HA 0.876 4.999 4.120 0.006 0.000 0.305 91 V C -0.462 175.514 176.094 -0.198 0.000 1.043 91 V CA -0.900 61.299 62.300 -0.167 0.000 0.888 91 V CB 1.684 33.426 31.823 -0.135 0.000 0.995 91 V HN 0.623 nan 8.190 nan 0.000 0.429 92 V N 4.662 124.413 119.914 -0.271 0.000 2.364 92 V HA 0.579 4.703 4.120 0.006 0.000 0.272 92 V C 0.821 176.754 176.094 -0.268 0.000 1.036 92 V CA 0.500 62.594 62.300 -0.343 0.000 0.880 92 V CB 1.205 32.642 31.823 -0.644 0.000 0.991 92 V HN 1.237 nan 8.190 nan 0.000 0.460 93 T N 0.796 115.246 114.554 -0.173 0.000 2.937 93 T HA 0.704 5.058 4.350 0.006 0.000 0.283 93 T C 0.703 175.341 174.700 -0.103 0.000 1.012 93 T CA -0.065 61.952 62.100 -0.138 0.000 0.997 93 T CB 1.686 70.533 68.868 -0.035 0.000 1.136 93 T HN 1.800 nan 8.240 nan 0.000 0.551 94 G N 1.119 109.871 108.800 -0.079 0.000 2.291 94 G HA2 -0.200 3.764 3.960 0.006 0.000 0.271 94 G HA3 -0.200 3.764 3.960 0.006 0.000 0.271 94 G C -0.391 174.494 174.900 -0.024 0.000 1.099 94 G CA -0.159 44.937 45.100 -0.006 0.000 0.919 94 G HN 1.013 nan 8.290 nan 0.000 0.496 95 N N -1.443 117.200 118.700 -0.095 0.000 2.489 95 N HA 0.562 5.305 4.740 0.006 0.000 0.284 95 N C 1.208 176.865 175.510 0.245 0.000 1.158 95 N CA 0.145 53.145 53.050 -0.083 0.000 0.965 95 N CB 0.991 39.097 38.487 -0.635 0.000 1.195 95 N HN 0.678 nan 8.380 nan 0.000 0.506 96 C N 0.832 120.305 119.300 0.288 0.000 4.397 96 C HA -0.103 4.360 4.460 0.006 0.000 0.291 96 C C 1.470 176.652 174.990 0.320 0.000 1.408 96 C CA 0.494 59.774 59.018 0.437 0.000 1.971 96 C CB -2.641 25.535 27.740 0.727 0.000 1.258 96 C HN 1.214 nan 8.230 nan 0.000 0.795 97 G N -0.693 108.234 108.800 0.211 0.000 2.179 97 G HA2 -0.290 3.673 3.960 0.006 0.000 0.260 97 G HA3 -0.290 3.673 3.960 0.006 0.000 0.260 97 G C -0.141 174.844 174.900 0.141 0.000 0.977 97 G CA 0.367 45.579 45.100 0.185 0.000 0.641 97 G HN 0.911 nan 8.290 nan 0.000 0.533 98 I N 2.641 123.305 120.570 0.156 0.000 2.337 98 I HA 0.485 4.659 4.170 0.006 0.000 0.285 98 I C 0.518 176.724 176.117 0.149 0.000 1.041 98 I CA -0.159 61.224 61.300 0.139 0.000 1.199 98 I CB 1.331 39.408 38.000 0.129 0.000 1.370 98 I HN 0.283 nan 8.210 nan 0.000 0.470 99 S N 4.958 120.739 115.700 0.134 0.000 2.600 99 S HA 0.454 4.928 4.470 0.006 0.000 0.300 99 S C 0.327 174.948 174.600 0.034 0.000 1.087 99 S CA -0.861 57.382 58.200 0.071 0.000 0.965 99 S CB 2.402 65.671 63.200 0.114 0.000 1.089 99 S HN 0.509 nan 8.310 nan 0.000 0.496 100 L N 1.143 122.211 121.223 -0.258 0.000 2.156 100 L HA 0.393 4.737 4.340 0.006 0.000 0.208 100 L C 0.759 177.456 176.870 -0.288 0.000 1.095 100 L CA 1.755 56.281 54.840 -0.523 0.000 0.770 100 L CB -0.843 40.778 42.059 -0.729 0.000 0.914 100 L HN 0.972 nan 8.230 nan 0.000 0.439 101 A N -0.555 122.107 122.820 -0.263 0.000 2.423 101 A HA 0.789 5.113 4.320 0.006 0.000 0.304 101 A C -2.686 175.056 177.584 0.262 0.000 1.104 101 A CA -1.386 50.644 52.037 -0.012 0.000 0.757 101 A CB 1.048 19.891 19.000 -0.262 0.000 1.313 101 A HN 0.043 nan 8.150 nan 0.000 0.423 102 P HA 0.561 nan 4.420 nan 0.000 0.297 102 P C -1.389 176.037 177.300 0.211 0.000 1.331 102 P CA -0.234 63.007 63.100 0.235 0.000 0.803 102 P CB 1.217 33.052 31.700 0.225 0.000 0.929 103 L N 3.090 124.458 121.223 0.241 0.000 2.847 103 L HA 0.597 4.941 4.340 0.006 0.000 0.261 103 L C -1.708 175.319 176.870 0.261 0.000 0.926 103 L CA -0.515 54.471 54.840 0.243 0.000 1.010 103 L CB 1.473 43.703 42.059 0.285 0.000 1.538 103 L HN 0.427 nan 8.230 nan 0.000 0.465 104 A N 3.863 126.787 122.820 0.174 0.000 2.273 104 A HA 0.756 5.080 4.320 0.006 0.000 0.320 104 A C -1.122 176.544 177.584 0.136 0.000 1.358 104 A CA -0.213 51.901 52.037 0.128 0.000 0.910 104 A CB 0.120 19.149 19.000 0.048 0.000 1.159 104 A HN 0.759 nan 8.150 nan 0.000 0.526 105 H N 1.982 121.082 119.070 0.050 0.000 3.087 105 H HA 0.478 5.037 4.556 0.006 0.000 0.348 105 H C 0.296 175.609 175.328 -0.025 0.000 1.092 105 H CA 0.117 56.151 56.048 -0.024 0.000 1.285 105 H CB 2.052 31.751 29.762 -0.105 0.000 1.875 105 H HN 0.549 nan 8.280 nan 0.000 0.512 106 A N 3.474 126.385 122.820 0.151 0.000 2.119 106 A HA 0.032 4.355 4.320 0.006 0.000 0.216 106 A C 0.458 178.133 177.584 0.152 0.000 1.152 106 A CA 0.550 52.658 52.037 0.119 0.000 0.708 106 A CB 0.161 19.172 19.000 0.019 0.000 0.805 106 A HN 0.631 nan 8.150 nan 0.000 0.460 107 N N 0.557 119.457 118.700 0.332 0.000 2.697 107 N HA 0.190 4.934 4.740 0.006 0.000 0.253 107 N C -3.222 172.128 175.510 -0.268 0.000 1.604 107 N CA -0.717 52.374 53.050 0.069 0.000 0.772 107 N CB 1.348 39.895 38.487 0.101 0.000 1.267 107 N HN 0.248 nan 8.380 nan 0.000 0.510 108 P HA 0.137 nan 4.420 nan 0.000 0.269 108 P C -2.554 174.430 177.300 -0.526 0.000 1.209 108 P CA -0.596 61.950 63.100 -0.924 0.000 0.776 108 P CB 0.044 31.053 31.700 -1.151 0.000 0.876 109 P HA 0.083 nan 4.420 nan 0.000 0.271 109 P C -0.142 177.044 177.300 -0.191 0.000 1.216 109 P CA -0.020 62.935 63.100 -0.242 0.000 0.771 109 P CB 0.362 31.944 31.700 -0.196 0.000 0.864 110 A N 5.817 128.572 122.820 -0.109 0.000 2.531 110 A HA 0.191 4.515 4.320 0.006 0.000 0.236 110 A C -1.226 176.282 177.584 -0.127 0.000 1.062 110 A CA -0.756 51.237 52.037 -0.074 0.000 0.760 110 A CB -0.832 18.164 19.000 -0.007 0.000 0.995 110 A HN 0.485 nan 8.150 nan 0.000 0.501 111 P HA 0.094 nan 4.420 nan 0.000 0.256 111 P C 0.630 177.840 177.300 -0.149 0.000 1.384 111 P CA -0.033 62.929 63.100 -0.229 0.000 0.879 111 P CB 0.183 31.540 31.700 -0.572 0.000 1.403 112 L N 1.553 122.687 121.223 -0.149 0.000 2.265 112 L HA -0.151 4.193 4.340 0.006 0.000 0.215 112 L C 2.009 178.874 176.870 -0.009 0.000 1.117 112 L CA 1.826 56.612 54.840 -0.089 0.000 0.782 112 L CB -1.361 40.512 42.059 -0.310 0.000 0.914 112 L HN 0.089 nan 8.230 nan 0.000 0.441 113 D N -0.765 119.603 120.400 -0.054 0.000 2.309 113 D HA -0.225 4.419 4.640 0.006 0.000 0.212 113 D C 1.972 178.275 176.300 0.003 0.000 0.968 113 D CA 0.870 54.866 54.000 -0.006 0.000 0.882 113 D CB -0.566 40.258 40.800 0.039 0.000 0.918 113 D HN 0.341 nan 8.370 nan 0.000 0.503 114 L N -0.485 120.776 121.223 0.064 0.000 2.362 114 L HA -0.019 4.325 4.340 0.006 0.000 0.219 114 L C 2.141 179.061 176.870 0.084 0.000 1.134 114 L CA 0.586 55.469 54.840 0.073 0.000 0.807 114 L CB -0.231 41.868 42.059 0.067 0.000 0.927 114 L HN 0.070 nan 8.230 nan 0.000 0.447 115 L N -1.634 119.644 121.223 0.092 0.000 2.585 115 L HA 0.143 4.486 4.340 0.006 0.000 0.226 115 L C 0.316 177.021 176.870 -0.275 0.000 1.113 115 L CA -0.161 54.690 54.840 0.019 0.000 0.876 115 L CB -0.057 42.031 42.059 0.048 0.000 1.072 115 L HN 0.063 nan 8.230 nan 0.000 0.468 116 D N 0.724 121.039 120.400 -0.141 0.000 2.210 116 D HA 0.106 4.749 4.640 0.006 0.000 0.249 116 D C 0.526 176.648 176.300 -0.297 0.000 1.078 116 D CA 0.092 54.020 54.000 -0.120 0.000 0.875 116 D CB 1.489 42.344 40.800 0.091 0.000 1.175 116 D HN 0.079 nan 8.370 nan 0.000 0.440 117 E N 0.993 121.055 120.200 -0.230 0.000 2.498 117 E HA 0.310 4.663 4.350 0.006 0.000 0.203 117 E C 0.117 176.669 176.600 -0.079 0.000 1.013 117 E CA -0.296 56.014 56.400 -0.150 0.000 0.927 117 E CB 0.756 30.409 29.700 -0.079 0.000 1.012 117 E HN 0.623 nan 8.360 nan 0.000 0.482 118 G N 0.015 108.781 108.800 -0.056 0.000 3.152 118 G HA2 0.123 4.086 3.960 0.006 0.000 0.666 118 G HA3 0.123 4.086 3.960 0.006 0.000 0.666 118 G C 0.462 175.355 174.900 -0.011 0.000 1.205 118 G CA -0.376 44.708 45.100 -0.026 0.000 1.178 118 G HN 0.354 nan 8.290 nan 0.000 0.510 119 G N 0.544 109.357 108.800 0.022 0.000 2.198 119 G HA2 -0.119 3.844 3.960 0.006 0.000 0.260 119 G HA3 -0.119 3.844 3.960 0.006 0.000 0.260 119 G C 1.455 176.360 174.900 0.009 0.000 1.025 119 G CA 1.053 46.166 45.100 0.023 0.000 0.769 119 G HN 1.810 nan 8.290 nan 0.000 0.507 120 S N -0.838 114.882 115.700 0.034 0.000 2.461 120 S HA 0.180 4.653 4.470 0.006 0.000 0.228 120 S C 0.830 175.370 174.600 -0.099 0.000 1.005 120 S CA 0.248 58.414 58.200 -0.057 0.000 0.942 120 S CB -0.025 63.097 63.200 -0.129 0.000 0.776 120 S HN 0.385 nan 8.310 nan 0.000 0.514 121 F N 3.085 123.013 119.950 -0.037 0.000 2.619 121 F HA 0.245 4.775 4.527 0.005 0.000 0.350 121 F C 1.488 177.252 175.800 -0.060 0.000 1.259 121 F CA -0.514 57.486 58.000 -0.001 0.000 1.204 121 F CB -0.064 38.948 39.000 0.020 0.000 1.556 121 F HN 0.135 nan 8.300 nan 0.000 0.650 122 R N 0.017 120.435 120.500 -0.138 0.000 2.509 122 R HA 0.242 4.585 4.340 0.006 0.000 0.297 122 R C -0.894 175.156 176.300 -0.416 0.000 0.951 122 R CA -0.183 55.731 56.100 -0.310 0.000 1.103 122 R CB -0.071 29.937 30.300 -0.486 0.000 1.283 122 R HN 0.168 nan 8.270 nan 0.000 0.534 123 F N 1.357 121.319 119.950 0.021 0.000 2.350 123 F HA 0.476 5.007 4.527 0.006 0.000 0.365 123 F C 1.291 177.121 175.800 0.049 0.000 1.122 123 F CA -0.828 57.184 58.000 0.021 0.000 1.139 123 F CB 1.793 40.793 39.000 0.001 0.000 1.220 123 F HN 0.072 nan 8.300 nan 0.000 0.499 124 A N 4.291 127.217 122.820 0.175 0.000 2.014 124 A HA 0.080 4.403 4.320 0.006 0.000 0.218 124 A C 1.054 178.733 177.584 0.159 0.000 1.163 124 A CA 0.806 52.925 52.037 0.138 0.000 0.652 124 A CB -0.059 18.992 19.000 0.085 0.000 0.808 124 A HN 0.678 nan 8.150 nan 0.000 0.449 125 R N -2.869 117.742 120.500 0.185 0.000 2.750 125 R HA 0.470 4.813 4.340 0.006 0.000 0.281 125 R C 0.013 176.441 176.300 0.214 0.000 0.972 125 R CA -0.741 55.469 56.100 0.183 0.000 0.912 125 R CB 0.971 31.356 30.300 0.142 0.000 1.187 125 R HN 0.183 nan 8.270 nan 0.000 0.464 126 F N 1.675 121.671 119.950 0.076 0.000 2.171 126 F HA -0.244 4.286 4.527 0.005 0.000 0.300 126 F C 2.291 178.128 175.800 0.062 0.000 1.090 126 F CA 2.361 60.398 58.000 0.063 0.000 1.293 126 F CB 0.124 39.144 39.000 0.033 0.000 1.013 126 F HN 0.625 nan 8.300 nan 0.000 0.486 127 S N -0.669 115.148 115.700 0.195 0.000 2.419 127 S HA -0.217 4.256 4.470 0.006 0.000 0.235 127 S C 1.716 176.311 174.600 -0.009 0.000 1.019 127 S CA 1.421 59.671 58.200 0.083 0.000 0.982 127 S CB -0.695 62.560 63.200 0.092 0.000 0.789 127 S HN 0.413 nan 8.310 nan 0.000 0.490 128 D N 0.571 120.995 120.400 0.040 0.000 2.117 128 D HA -0.086 4.558 4.640 0.006 0.000 0.197 128 D C 1.617 177.851 176.300 -0.110 0.000 0.987 128 D CA 1.317 55.366 54.000 0.082 0.000 0.829 128 D CB -0.486 40.482 40.800 0.281 0.000 0.961 128 D HN 0.612 nan 8.370 nan 0.000 0.460 129 Y N 1.616 121.580 120.300 -0.560 0.000 2.163 129 Y HA -0.106 4.448 4.550 0.005 0.000 0.288 129 Y C 2.189 177.669 175.900 -0.701 0.000 1.136 129 Y CA 1.195 58.594 58.100 -1.168 0.000 1.147 129 Y CB -0.475 37.222 38.460 -1.272 0.000 0.987 129 Y HN -0.123 nan 8.280 nan 0.000 0.509 130 L N 0.035 120.864 121.223 -0.658 0.000 2.083 130 L HA -0.196 4.147 4.340 0.006 0.000 0.209 130 L C 2.305 178.945 176.870 -0.382 0.000 1.083 130 L CA 1.756 56.276 54.840 -0.534 0.000 0.752 130 L CB -0.595 41.326 42.059 -0.231 0.000 0.899 130 L HN 0.265 nan 8.230 nan 0.000 0.433 131 E N 0.286 120.330 120.200 -0.260 0.000 2.110 131 E HA -0.204 4.149 4.350 0.006 0.000 0.193 131 E C 2.323 178.810 176.600 -0.190 0.000 0.988 131 E CA 1.127 57.428 56.400 -0.165 0.000 0.804 131 E CB -0.161 29.491 29.700 -0.081 0.000 0.745 131 E HN 0.499 nan 8.360 nan 0.000 0.458 132 A N 1.026 123.696 122.820 -0.249 0.000 1.902 132 A HA -0.146 4.177 4.320 0.006 0.000 0.217 132 A C 2.161 179.581 177.584 -0.274 0.000 1.181 132 A CA 0.971 52.889 52.037 -0.199 0.000 0.623 132 A CB -0.539 18.381 19.000 -0.134 0.000 0.818 132 A HN 0.133 nan 8.150 nan 0.000 0.443 133 L N -1.076 119.884 121.223 -0.439 0.000 2.056 133 L HA -0.180 4.163 4.340 0.006 0.000 0.207 133 L C 2.874 179.601 176.870 -0.240 0.000 1.078 133 L CA 1.413 56.026 54.840 -0.378 0.000 0.749 133 L CB -0.466 41.289 42.059 -0.507 0.000 0.901 133 L HN 0.366 nan 8.230 nan 0.000 0.433 134 R N -0.129 120.241 120.500 -0.217 0.000 2.092 134 R HA -0.095 4.249 4.340 0.006 0.000 0.231 134 R C 2.330 178.563 176.300 -0.111 0.000 1.119 134 R CA 1.229 57.245 56.100 -0.141 0.000 0.970 134 R CB -0.398 29.832 30.300 -0.118 0.000 0.864 134 R HN 0.329 nan 8.270 nan 0.000 0.440 135 A N 0.822 123.573 122.820 -0.115 0.000 2.014 135 A HA 0.147 4.470 4.320 0.006 0.000 0.218 135 A C 1.208 178.733 177.584 -0.097 0.000 1.163 135 A CA 1.228 53.212 52.037 -0.088 0.000 0.652 135 A CB 0.221 19.175 19.000 -0.075 0.000 0.808 135 A HN 0.284 nan 8.150 nan 0.000 0.449 136 A N 0.488 123.232 122.820 -0.126 0.000 3.216 136 A HA 0.577 4.900 4.320 0.006 0.000 0.321 136 A C -2.935 174.551 177.584 -0.163 0.000 1.042 136 A CA -1.360 50.583 52.037 -0.157 0.000 0.838 136 A CB 0.368 19.271 19.000 -0.162 0.000 1.136 136 A HN 0.183 nan 8.150 nan 0.000 0.483 137 P HA 0.235 nan 4.420 nan 0.000 0.269 137 P C -2.730 174.559 177.300 -0.020 0.000 1.209 137 P CA -0.632 62.426 63.100 -0.070 0.000 0.776 137 P CB 0.692 32.382 31.700 -0.018 0.000 0.876 138 P HA 0.147 nan 4.420 nan 0.000 0.282 138 P C 0.285 177.630 177.300 0.074 0.000 1.287 138 P CA -0.356 62.755 63.100 0.019 0.000 0.792 138 P CB 0.618 32.285 31.700 -0.055 0.000 1.163 139 A N -0.083 122.750 122.820 0.020 0.000 2.119 139 A HA 0.132 4.455 4.320 0.006 0.000 0.216 139 A C 1.128 178.712 177.584 0.001 0.000 1.152 139 A CA 1.134 53.189 52.037 0.030 0.000 0.708 139 A CB -1.020 17.927 19.000 -0.089 0.000 0.805 139 A HN 0.473 nan 8.150 nan 0.000 0.460 140 V N -2.954 116.933 119.914 -0.045 0.000 2.919 140 V HA 0.486 4.609 4.120 0.006 0.000 0.316 140 V C -0.611 175.440 176.094 -0.072 0.000 1.077 140 V CA -1.675 60.585 62.300 -0.066 0.000 0.977 140 V CB 1.208 32.970 31.823 -0.101 0.000 1.039 140 V HN 0.231 nan 8.190 nan 0.000 0.441 141 N N 1.296 119.945 118.700 -0.086 0.000 2.444 141 N HA 0.586 5.329 4.740 0.006 0.000 0.255 141 N C -0.244 175.204 175.510 -0.104 0.000 1.255 141 N CA 0.347 53.337 53.050 -0.101 0.000 0.933 141 N CB 1.552 39.968 38.487 -0.118 0.000 1.143 141 N HN 1.193 nan 8.380 nan 0.000 0.453 142 A N 0.118 122.876 122.820 -0.102 0.000 2.359 142 A HA 0.707 5.030 4.320 0.006 0.000 0.303 142 A C -0.896 176.642 177.584 -0.077 0.000 1.066 142 A CA -0.744 51.238 52.037 -0.092 0.000 0.730 142 A CB 1.063 20.010 19.000 -0.087 0.000 1.211 142 A HN 0.643 nan 8.150 nan 0.000 0.439 143 A N 1.589 124.359 122.820 -0.083 0.000 2.285 143 A HA 0.594 4.917 4.320 0.006 0.000 0.310 143 A C -0.456 177.110 177.584 -0.029 0.000 1.266 143 A CA -0.340 51.663 52.037 -0.058 0.000 0.832 143 A CB 0.051 18.989 19.000 -0.103 0.000 1.163 143 A HN 0.978 nan 8.150 nan 0.000 0.499 144 C N 3.398 122.736 119.300 0.062 0.000 2.351 144 C HA 0.700 5.163 4.460 0.006 0.000 0.326 144 C C 0.440 175.535 174.990 0.175 0.000 1.272 144 C CA -0.516 58.597 59.018 0.160 0.000 1.650 144 C CB 0.124 28.064 27.740 0.333 0.000 2.257 144 C HN 0.870 nan 8.230 nan 0.000 0.505 145 M N 2.049 121.718 119.600 0.115 0.000 2.598 145 M HA 0.533 5.016 4.480 0.006 0.000 0.317 145 M C -0.264 176.049 176.300 0.022 0.000 1.201 145 M CA -0.556 54.760 55.300 0.026 0.000 0.971 145 M CB 1.733 34.335 32.600 0.003 0.000 1.657 145 M HN 0.488 nan 8.290 nan 0.000 0.470 146 V N 0.929 120.733 119.914 -0.184 0.000 2.539 146 V HA 0.779 4.903 4.120 0.006 0.000 0.292 146 V C -0.114 175.969 176.094 -0.018 0.000 1.045 146 V CA -0.230 61.966 62.300 -0.174 0.000 0.945 146 V CB 1.655 33.184 31.823 -0.490 0.000 0.993 146 V HN 0.915 nan 8.190 nan 0.000 0.464 147 G N 3.268 112.103 108.800 0.059 0.000 2.343 147 G HA2 0.259 4.222 3.960 0.006 0.000 0.319 147 G HA3 0.259 4.222 3.960 0.006 0.000 0.319 147 G C 0.560 175.532 174.900 0.121 0.000 1.126 147 G CA -0.087 45.070 45.100 0.095 0.000 0.889 147 G HN 1.020 nan 8.290 nan 0.000 0.457 148 H N 1.852 120.954 119.070 0.053 0.000 2.421 148 H HA -0.104 4.456 4.556 0.006 0.000 0.298 148 H C 1.883 177.251 175.328 0.067 0.000 1.087 148 H CA 1.751 57.837 56.048 0.064 0.000 1.330 148 H CB 0.344 30.156 29.762 0.084 0.000 1.388 148 H HN 0.454 nan 8.280 nan 0.000 0.526 149 S N -0.273 115.387 115.700 -0.067 0.000 2.387 149 S HA -0.094 4.380 4.470 0.006 0.000 0.226 149 S C 2.123 176.669 174.600 -0.091 0.000 1.026 149 S CA 1.327 59.448 58.200 -0.132 0.000 0.972 149 S CB -0.172 63.017 63.200 -0.018 0.000 0.814 149 S HN 0.507 nan 8.310 nan 0.000 0.477 150 T N 3.074 117.623 114.554 -0.008 0.000 2.746 150 T HA 0.033 4.386 4.350 0.006 0.000 0.267 150 T C 1.720 176.430 174.700 0.016 0.000 1.039 150 T CA 0.934 63.053 62.100 0.032 0.000 1.142 150 T CB -0.405 68.535 68.868 0.120 0.000 0.866 150 T HN 0.268 nan 8.240 nan 0.000 0.444 151 L N 0.301 121.526 121.223 0.003 0.000 2.046 151 L HA -0.075 4.268 4.340 0.006 0.000 0.208 151 L C 2.895 179.743 176.870 -0.036 0.000 1.077 151 L CA 1.375 56.221 54.840 0.009 0.000 0.747 151 L CB -0.511 41.572 42.059 0.040 0.000 0.896 151 L HN 0.159 nan 8.230 nan 0.000 0.432 152 R N 0.031 120.451 120.500 -0.133 0.000 2.081 152 R HA -0.126 4.217 4.340 0.006 0.000 0.235 152 R C 2.437 178.700 176.300 -0.062 0.000 1.131 152 R CA 1.350 57.376 56.100 -0.123 0.000 0.960 152 R CB -0.467 29.708 30.300 -0.207 0.000 0.856 152 R HN 0.350 nan 8.270 nan 0.000 0.436 153 A N 0.973 123.755 122.820 -0.065 0.000 1.969 153 A HA -0.057 4.267 4.320 0.006 0.000 0.218 153 A C 2.263 179.857 177.584 0.017 0.000 1.169 153 A CA 1.562 53.572 52.037 -0.045 0.000 0.635 153 A CB -0.408 18.527 19.000 -0.108 0.000 0.810 153 A HN 0.396 nan 8.150 nan 0.000 0.445 154 A N -1.108 121.729 122.820 0.028 0.000 2.016 154 A HA 0.210 4.533 4.320 0.006 0.000 0.217 154 A C 1.985 179.594 177.584 0.042 0.000 1.162 154 A CA 1.656 53.727 52.037 0.057 0.000 0.662 154 A CB -0.240 18.803 19.000 0.072 0.000 0.812 154 A HN 0.363 nan 8.150 nan 0.000 0.450 155 V N -0.862 119.068 119.914 0.026 0.000 3.048 155 V HA 0.173 4.296 4.120 0.006 0.000 0.241 155 V C 0.885 176.988 176.094 0.015 0.000 1.129 155 V CA 0.493 62.807 62.300 0.023 0.000 1.128 155 V CB -0.190 31.648 31.823 0.025 0.000 0.849 155 V HN 0.453 nan 8.190 nan 0.000 0.475 156 M N 1.196 120.799 119.600 0.005 0.000 2.144 156 M HA 0.277 4.761 4.480 0.006 0.000 0.356 156 M C -1.706 174.593 176.300 -0.001 0.000 1.217 156 M CA -1.348 53.952 55.300 0.000 0.000 1.087 156 M CB 1.534 34.130 32.600 -0.008 0.000 1.609 156 M HN -0.034 nan 8.290 nan 0.000 0.467 157 P HA -0.025 nan 4.420 nan 0.000 0.222 157 P C -0.488 176.804 177.300 -0.013 0.000 1.153 157 P CA 1.097 64.194 63.100 -0.005 0.000 0.798 157 P CB 0.209 31.905 31.700 -0.007 0.000 0.796 158 D N -0.815 119.571 120.400 -0.022 0.000 2.505 158 D HA 0.165 4.808 4.640 0.006 0.000 0.250 158 D C 0.590 176.860 176.300 -0.049 0.000 1.164 158 D CA -0.381 53.595 54.000 -0.039 0.000 0.870 158 D CB 0.814 41.586 40.800 -0.046 0.000 1.160 158 D HN -0.176 nan 8.370 nan 0.000 0.549 159 L N 2.777 123.969 121.223 -0.053 0.000 2.492 159 L HA 0.179 4.522 4.340 0.006 0.000 0.223 159 L C 1.624 178.444 176.870 -0.084 0.000 1.132 159 L CA 0.321 55.133 54.840 -0.047 0.000 0.850 159 L CB -0.027 42.012 42.059 -0.033 0.000 0.966 159 L HN 0.192 nan 8.230 nan 0.000 0.454 160 R N 1.668 122.052 120.500 -0.193 0.000 3.907 160 R HA 0.134 4.477 4.340 0.006 0.000 0.241 160 R C -0.210 175.654 176.300 -0.726 0.000 1.784 160 R CA -0.025 55.749 56.100 -0.544 0.000 1.509 160 R CB -0.338 29.710 30.300 -0.420 0.000 1.275 160 R HN 0.422 nan 8.270 nan 0.000 0.642 161 R N -1.815 118.503 120.500 -0.304 0.000 2.741 161 R HA 0.224 4.568 4.340 0.006 0.000 0.274 161 R C -1.288 175.041 176.300 0.048 0.000 1.029 161 R CA -1.043 54.995 56.100 -0.103 0.000 0.880 161 R CB 0.788 31.037 30.300 -0.085 0.000 1.264 161 R HN -0.006 nan 8.270 nan 0.000 0.465 162 E N 0.772 121.018 120.200 0.076 0.000 2.390 162 E HA 0.364 4.718 4.350 0.006 0.000 0.261 162 E C -0.514 176.121 176.600 0.058 0.000 1.076 162 E CA -0.208 56.242 56.400 0.084 0.000 0.905 162 E CB 1.008 30.751 29.700 0.071 0.000 0.984 162 E HN 0.589 nan 8.360 nan 0.000 0.427 163 A N 2.821 125.683 122.820 0.070 0.000 2.407 163 A HA 0.241 4.564 4.320 0.006 0.000 0.248 163 A C 0.377 177.988 177.584 0.045 0.000 1.082 163 A CA -0.026 52.045 52.037 0.057 0.000 0.785 163 A CB 0.341 19.388 19.000 0.079 0.000 1.020 163 A HN 0.742 nan 8.150 nan 0.000 0.489 164 T N -0.845 113.729 114.554 0.033 0.000 2.788 164 T HA 0.486 4.840 4.350 0.006 0.000 0.280 164 T C 1.380 176.098 174.700 0.031 0.000 0.984 164 T CA -0.014 62.102 62.100 0.028 0.000 0.972 164 T CB 0.938 69.818 68.868 0.020 0.000 1.039 164 T HN 1.196 nan 8.240 nan 0.000 0.530 165 A N 0.538 123.374 122.820 0.026 0.000 1.933 165 A HA -0.076 4.248 4.320 0.006 0.000 0.218 165 A C 2.033 179.633 177.584 0.028 0.000 1.175 165 A CA 1.643 53.697 52.037 0.027 0.000 0.628 165 A CB -1.047 17.965 19.000 0.021 0.000 0.814 165 A HN 0.891 nan 8.150 nan 0.000 0.444 166 D N -0.247 120.167 120.400 0.024 0.000 2.117 166 D HA -0.127 4.516 4.640 0.006 0.000 0.197 166 D C 1.933 178.250 176.300 0.028 0.000 0.987 166 D CA 1.491 55.505 54.000 0.024 0.000 0.829 166 D CB -0.343 40.469 40.800 0.019 0.000 0.961 166 D HN 0.661 nan 8.370 nan 0.000 0.460 167 E N 0.126 120.344 120.200 0.030 0.000 2.072 167 E HA -0.079 4.274 4.350 0.006 0.000 0.191 167 E C 2.355 178.983 176.600 0.047 0.000 0.985 167 E CA 0.351 56.772 56.400 0.035 0.000 0.801 167 E CB 0.017 29.736 29.700 0.033 0.000 0.750 167 E HN 0.285 nan 8.360 nan 0.000 0.452 168 I N 1.202 121.803 120.570 0.052 0.000 2.208 168 I HA -0.332 3.841 4.170 0.006 0.000 0.245 168 I C 2.427 178.576 176.117 0.054 0.000 1.097 168 I CA 1.313 62.651 61.300 0.062 0.000 1.363 168 I CB -0.237 37.796 38.000 0.055 0.000 1.051 168 I HN 0.144 nan 8.210 nan 0.000 0.413 169 Q N 0.462 120.287 119.800 0.043 0.000 2.084 169 Q HA -0.203 4.140 4.340 0.006 0.000 0.202 169 Q C 2.458 178.482 176.000 0.041 0.000 0.978 169 Q CA 1.884 57.710 55.803 0.039 0.000 0.844 169 Q CB -0.298 28.459 28.738 0.032 0.000 0.898 169 Q HN 0.592 nan 8.270 nan 0.000 0.426 170 A N 0.543 123.387 122.820 0.040 0.000 1.898 170 A HA -0.169 4.155 4.320 0.006 0.000 0.216 170 A C 2.041 179.654 177.584 0.048 0.000 1.181 170 A CA 1.315 53.377 52.037 0.041 0.000 0.620 170 A CB -0.437 18.585 19.000 0.036 0.000 0.819 170 A HN 0.288 nan 8.150 nan 0.000 0.442 171 M N -1.120 118.513 119.600 0.056 0.000 2.132 171 M HA -0.166 4.317 4.480 0.006 0.000 0.263 171 M C 2.511 178.850 176.300 0.066 0.000 1.065 171 M CA 1.631 56.971 55.300 0.068 0.000 1.122 171 M CB -0.339 32.318 32.600 0.095 0.000 1.365 171 M HN 0.562 nan 8.290 nan 0.000 0.411 172 Q N 0.619 120.457 119.800 0.063 0.000 2.124 172 Q HA -0.160 4.184 4.340 0.006 0.000 0.202 172 Q C 1.930 177.957 176.000 0.045 0.000 0.977 172 Q CA 1.864 57.701 55.803 0.056 0.000 0.850 172 Q CB -0.050 28.720 28.738 0.052 0.000 0.901 172 Q HN 0.531 nan 8.270 nan 0.000 0.429 173 A N 0.829 123.676 122.820 0.045 0.000 1.930 173 A HA -0.115 4.208 4.320 0.006 0.000 0.217 173 A C 2.190 179.795 177.584 0.036 0.000 1.175 173 A CA 0.983 53.046 52.037 0.042 0.000 0.627 173 A CB -0.598 18.428 19.000 0.042 0.000 0.815 173 A HN 0.410 nan 8.150 nan 0.000 0.443 174 L N -0.873 120.373 121.223 0.038 0.000 2.093 174 L HA -0.171 4.173 4.340 0.006 0.000 0.208 174 L C 3.085 179.951 176.870 -0.007 0.000 1.085 174 L CA 0.996 55.857 54.840 0.035 0.000 0.755 174 L CB -0.517 41.574 42.059 0.052 0.000 0.904 174 L HN 0.440 nan 8.230 nan 0.000 0.435 175 A N -0.083 122.730 122.820 -0.013 0.000 1.898 175 A HA -0.280 4.043 4.320 0.006 0.000 0.216 175 A C 1.958 179.479 177.584 -0.105 0.000 1.181 175 A CA 2.087 54.085 52.037 -0.065 0.000 0.620 175 A CB -0.622 18.372 19.000 -0.011 0.000 0.819 175 A HN 0.433 nan 8.150 nan 0.000 0.442 176 D N -0.283 120.093 120.400 -0.040 0.000 2.117 176 D HA -0.146 4.497 4.640 0.006 0.000 0.197 176 D C 1.253 177.494 176.300 -0.098 0.000 0.987 176 D CA 1.471 55.450 54.000 -0.036 0.000 0.829 176 D CB -0.097 40.752 40.800 0.083 0.000 0.961 176 D HN 0.357 nan 8.370 nan 0.000 0.460 177 D N -0.116 120.261 120.400 -0.038 0.000 2.117 177 D HA -0.119 4.524 4.640 0.006 0.000 0.197 177 D C 2.010 178.277 176.300 -0.056 0.000 0.987 177 D CA 1.302 55.294 54.000 -0.014 0.000 0.829 177 D CB -0.511 40.310 40.800 0.036 0.000 0.961 177 D HN 0.318 nan 8.370 nan 0.000 0.460 178 A N 0.801 123.542 122.820 -0.131 0.000 1.877 178 A HA -0.136 4.187 4.320 0.006 0.000 0.216 178 A C 2.418 179.814 177.584 -0.312 0.000 1.186 178 A CA 1.012 52.878 52.037 -0.285 0.000 0.620 178 A CB -0.857 17.711 19.000 -0.720 0.000 0.822 178 A HN 0.202 nan 8.150 nan 0.000 0.443 179 L N -0.727 120.263 121.223 -0.387 0.000 2.046 179 L HA -0.199 4.145 4.340 0.006 0.000 0.208 179 L C 3.058 179.681 176.870 -0.413 0.000 1.077 179 L CA 1.089 55.651 54.840 -0.464 0.000 0.747 179 L CB -0.543 41.070 42.059 -0.744 0.000 0.896 179 L HN 0.430 nan 8.230 nan 0.000 0.432 180 A N -0.807 121.785 122.820 -0.380 0.000 1.972 180 A HA -0.166 4.157 4.320 0.006 0.000 0.219 180 A C 2.425 180.013 177.584 0.007 0.000 1.169 180 A CA 1.967 53.966 52.037 -0.064 0.000 0.635 180 A CB -0.472 18.564 19.000 0.060 0.000 0.810 180 A HN 0.393 nan 8.150 nan 0.000 0.446 181 S N -1.975 113.731 115.700 0.010 0.000 2.522 181 S HA 0.322 4.795 4.470 0.006 0.000 0.227 181 S C 1.384 176.035 174.600 0.086 0.000 0.986 181 S CA 0.965 59.209 58.200 0.074 0.000 0.929 181 S CB 0.224 63.514 63.200 0.149 0.000 0.769 181 S HN 1.449 nan 8.310 nan 0.000 0.529 182 G N 0.495 109.329 108.800 0.057 0.000 2.370 182 G HA2 0.022 3.986 3.960 0.006 0.000 0.174 182 G HA3 0.022 3.986 3.960 0.006 0.000 0.174 182 G C 0.135 175.081 174.900 0.078 0.000 1.002 182 G CA -0.320 44.821 45.100 0.067 0.000 0.730 182 G HN 0.690 nan 8.290 nan 0.000 0.497 183 A N 0.686 123.528 122.820 0.037 0.000 2.520 183 A HA 0.565 4.889 4.320 0.006 0.000 0.235 183 A C 1.542 179.106 177.584 -0.033 0.000 1.065 183 A CA 0.678 52.697 52.037 -0.030 0.000 0.764 183 A CB -0.049 18.694 19.000 -0.427 0.000 1.002 183 A HN 1.427 nan 8.150 nan 0.000 0.502 184 I N -0.630 119.948 120.570 0.014 0.000 3.883 184 I HA 0.544 4.717 4.170 0.006 0.000 0.326 184 I C 0.688 176.834 176.117 0.049 0.000 1.283 184 I CA 0.464 61.792 61.300 0.047 0.000 1.161 184 I CB -0.117 37.937 38.000 0.090 0.000 1.012 184 I HN 0.726 nan 8.210 nan 0.000 0.421 185 G N 1.064 109.866 108.800 0.003 0.000 2.321 185 G HA2 0.506 4.469 3.960 0.006 0.000 0.296 185 G HA3 0.506 4.469 3.960 0.006 0.000 0.296 185 G C -1.781 173.100 174.900 -0.032 0.000 1.287 185 G CA -0.796 44.313 45.100 0.015 0.000 0.846 185 G HN 0.093 nan 8.290 nan 0.000 0.508 186 I N 1.134 121.702 120.570 -0.003 0.000 2.545 186 I HA 0.566 4.740 4.170 0.006 0.000 0.292 186 I C 0.268 176.346 176.117 -0.065 0.000 1.040 186 I CA -0.842 60.450 61.300 -0.013 0.000 1.068 186 I CB 2.407 40.433 38.000 0.045 0.000 1.251 186 I HN 0.686 nan 8.210 nan 0.000 0.424 187 S N 2.892 118.561 115.700 -0.053 0.000 2.607 187 S HA 0.886 5.359 4.470 0.006 0.000 0.303 187 S C -0.387 174.201 174.600 -0.019 0.000 1.086 187 S CA -0.522 57.609 58.200 -0.116 0.000 0.995 187 S CB 2.080 65.261 63.200 -0.030 0.000 1.084 187 S HN 0.713 nan 8.310 nan 0.000 0.507 188 T N -2.660 111.860 114.554 -0.057 0.000 2.901 188 T HA 0.814 5.167 4.350 0.006 0.000 0.293 188 T C -0.084 174.738 174.700 0.202 0.000 1.084 188 T CA -0.627 61.550 62.100 0.128 0.000 1.008 188 T CB 1.476 70.411 68.868 0.112 0.000 1.170 188 T HN 1.441 nan 8.240 nan 0.000 0.509 189 G N -0.267 108.702 108.800 0.281 0.000 3.829 189 G HA2 0.567 4.530 3.960 0.006 0.000 0.289 189 G HA3 0.567 4.530 3.960 0.006 0.000 0.289 189 G C 0.587 175.640 174.900 0.254 0.000 1.274 189 G CA -0.053 45.230 45.100 0.305 0.000 0.698 189 G HN 1.079 nan 8.290 nan 0.000 0.488 190 A N 0.706 123.652 122.820 0.211 0.000 2.239 190 A HA 0.147 4.471 4.320 0.006 0.000 0.209 190 A C 1.649 179.283 177.584 0.085 0.000 1.171 190 A CA 0.821 52.952 52.037 0.157 0.000 0.768 190 A CB -0.344 18.740 19.000 0.140 0.000 0.790 190 A HN 0.874 nan 8.150 nan 0.000 0.478 191 F N -0.331 119.538 119.950 -0.135 0.000 2.216 191 F HA 0.003 4.534 4.527 0.007 0.000 0.300 191 F C 0.373 175.980 175.800 -0.322 0.000 1.085 191 F CA 0.346 58.169 58.000 -0.294 0.000 1.326 191 F CB -0.240 38.418 39.000 -0.570 0.000 1.027 191 F HN 0.249 nan 8.300 nan 0.000 0.497 192 Y N 0.658 120.848 120.300 -0.183 0.000 2.316 192 Y HA 0.272 4.825 4.550 0.006 0.000 0.324 192 Y C -1.032 174.767 175.900 -0.168 0.000 1.267 192 Y CA -2.657 55.301 58.100 -0.237 0.000 1.311 192 Y CB -0.447 37.965 38.460 -0.080 0.000 1.267 192 Y HN -0.215 nan 8.280 nan 0.000 0.516 193 P HA -0.151 nan 4.420 nan 0.000 0.216 193 P C -1.377 175.951 177.300 0.046 0.000 1.153 193 P CA 1.909 65.017 63.100 0.013 0.000 0.858 193 P CB -0.762 30.936 31.700 -0.003 0.000 0.789 194 P HA -0.064 nan 4.420 nan 0.000 0.222 194 P C 0.770 178.088 177.300 0.030 0.000 1.147 194 P CA 1.701 64.805 63.100 0.007 0.000 0.790 194 P CB -0.378 31.299 31.700 -0.039 0.000 0.780 195 A N -1.566 121.300 122.820 0.077 0.000 2.585 195 A HA 0.572 4.895 4.320 0.006 0.000 0.266 195 A C 1.825 179.481 177.584 0.120 0.000 1.178 195 A CA 0.467 52.577 52.037 0.121 0.000 0.966 195 A CB -0.482 18.632 19.000 0.190 0.000 1.170 195 A HN 0.074 nan 8.150 nan 0.000 0.558 196 A N -0.505 122.351 122.820 0.061 0.000 2.070 196 A HA -0.144 4.179 4.320 0.006 0.000 0.220 196 A C 1.615 179.120 177.584 -0.133 0.000 1.159 196 A CA 1.379 53.382 52.037 -0.056 0.000 0.656 196 A CB -0.753 18.161 19.000 -0.142 0.000 0.800 196 A HN 0.641 nan 8.150 nan 0.000 0.453 197 H N -0.831 118.254 119.070 0.025 0.000 2.551 197 H HA 0.385 4.945 4.556 0.006 0.000 0.271 197 H C 0.815 176.173 175.328 0.050 0.000 0.984 197 H CA 0.331 56.395 56.048 0.026 0.000 1.164 197 H CB -0.072 29.699 29.762 0.015 0.000 1.437 197 H HN 0.497 nan 8.280 nan 0.000 0.550 198 A N 2.061 124.982 122.820 0.168 0.000 2.450 198 A HA 0.261 4.585 4.320 0.006 0.000 0.255 198 A C 0.859 178.506 177.584 0.106 0.000 1.096 198 A CA -0.264 51.879 52.037 0.176 0.000 0.778 198 A CB 0.199 19.383 19.000 0.307 0.000 1.031 198 A HN 0.367 nan 8.150 nan 0.000 0.494 199 S N 2.057 117.806 115.700 0.083 0.000 2.632 199 S HA 0.270 4.744 4.470 0.006 0.000 0.267 199 S C 1.108 175.723 174.600 0.025 0.000 1.276 199 S CA 0.228 58.455 58.200 0.044 0.000 0.998 199 S CB 0.667 63.890 63.200 0.038 0.000 0.953 199 S HN 0.643 nan 8.310 nan 0.000 0.547 200 T N 1.291 115.849 114.554 0.007 0.000 2.788 200 T HA -0.081 4.272 4.350 0.006 0.000 0.268 200 T C 1.579 176.265 174.700 -0.024 0.000 1.044 200 T CA 1.450 63.542 62.100 -0.013 0.000 1.139 200 T CB -0.386 68.470 68.868 -0.019 0.000 0.867 200 T HN 0.623 nan 8.240 nan 0.000 0.454 201 E N 0.996 121.190 120.200 -0.009 0.000 2.106 201 E HA -0.119 4.235 4.350 0.006 0.000 0.192 201 E C 2.195 178.794 176.600 -0.003 0.000 0.984 201 E CA 0.752 57.146 56.400 -0.009 0.000 0.806 201 E CB -0.260 29.440 29.700 0.001 0.000 0.750 201 E HN 0.679 nan 8.360 nan 0.000 0.458 202 E N 0.742 120.951 120.200 0.015 0.000 2.077 202 E HA -0.169 4.184 4.350 0.006 0.000 0.193 202 E C 2.215 178.810 176.600 -0.008 0.000 0.989 202 E CA 0.819 57.240 56.400 0.036 0.000 0.800 202 E CB -0.099 29.654 29.700 0.088 0.000 0.746 202 E HN 0.197 nan 8.360 nan 0.000 0.452 203 I N 0.840 121.367 120.570 -0.072 0.000 2.179 203 I HA -0.292 3.882 4.170 0.006 0.000 0.242 203 I C 2.461 178.522 176.117 -0.093 0.000 1.088 203 I CA 1.002 62.200 61.300 -0.170 0.000 1.357 203 I CB -0.204 37.711 38.000 -0.143 0.000 1.051 203 I HN 0.217 nan 8.210 nan 0.000 0.409 204 I N 0.366 120.887 120.570 -0.081 0.000 2.163 204 I HA -0.276 3.898 4.170 0.006 0.000 0.243 204 I C 2.562 178.658 176.117 -0.035 0.000 1.085 204 I CA 1.319 62.571 61.300 -0.080 0.000 1.347 204 I CB -0.429 37.527 38.000 -0.074 0.000 1.044 204 I HN 0.237 nan 8.210 nan 0.000 0.408 205 E N 0.403 120.595 120.200 -0.014 0.000 2.110 205 E HA -0.151 4.203 4.350 0.006 0.000 0.193 205 E C 2.419 179.034 176.600 0.024 0.000 0.988 205 E CA 1.110 57.515 56.400 0.008 0.000 0.804 205 E CB -0.373 29.337 29.700 0.018 0.000 0.745 205 E HN 0.342 nan 8.360 nan 0.000 0.458 206 V N 0.623 120.557 119.914 0.032 0.000 2.515 206 V HA -0.213 3.911 4.120 0.006 0.000 0.250 206 V C 2.175 178.302 176.094 0.056 0.000 1.058 206 V CA 1.300 63.638 62.300 0.062 0.000 1.064 206 V CB -0.318 31.571 31.823 0.110 0.000 0.675 206 V HN 0.294 nan 8.190 nan 0.000 0.461 207 C N -0.312 119.012 119.300 0.041 0.000 2.697 207 C HA 0.123 4.586 4.460 0.006 0.000 0.267 207 C C 2.555 177.573 174.990 0.048 0.000 1.278 207 C CA -0.535 58.521 59.018 0.062 0.000 1.708 207 C CB -1.225 26.573 27.740 0.097 0.000 1.860 207 C HN 0.464 nan 8.230 nan 0.000 0.589 208 R N 2.106 122.625 120.500 0.031 0.000 2.133 208 R HA -0.150 4.193 4.340 0.006 0.000 0.247 208 R C -0.544 175.786 176.300 0.051 0.000 1.151 208 R CA 1.536 57.653 56.100 0.028 0.000 0.971 208 R CB -2.124 28.189 30.300 0.022 0.000 0.866 208 R HN 0.408 nan 8.270 nan 0.000 0.447 209 P HA -0.066 nan 4.420 nan 0.000 0.225 209 P C 1.276 178.687 177.300 0.185 0.000 1.148 209 P CA 0.791 63.979 63.100 0.147 0.000 0.779 209 P CB -0.167 31.646 31.700 0.188 0.000 0.780 210 L N -1.058 120.237 121.223 0.121 0.000 2.079 210 L HA -0.193 4.150 4.340 0.006 0.000 0.210 210 L C 2.328 179.255 176.870 0.095 0.000 1.081 210 L CA 1.384 56.293 54.840 0.116 0.000 0.752 210 L CB -0.654 41.464 42.059 0.097 0.000 0.896 210 L HN 0.016 nan 8.230 nan 0.000 0.433 211 I N -0.598 120.007 120.570 0.059 0.000 2.315 211 I HA -0.265 3.908 4.170 0.006 0.000 0.248 211 I C 2.281 178.402 176.117 0.007 0.000 1.117 211 I CA 1.350 62.668 61.300 0.029 0.000 1.404 211 I CB 0.041 38.048 38.000 0.011 0.000 1.071 211 I HN 0.271 nan 8.210 nan 0.000 0.419 212 T N -0.460 114.083 114.554 -0.019 0.000 2.821 212 T HA -0.145 4.208 4.350 0.006 0.000 0.267 212 T C 1.580 176.159 174.700 -0.201 0.000 1.046 212 T CA 1.120 63.142 62.100 -0.130 0.000 1.139 212 T CB -0.327 68.411 68.868 -0.216 0.000 0.871 212 T HN 0.443 nan 8.240 nan 0.000 0.454 213 H N 0.112 119.189 119.070 0.011 0.000 2.539 213 H HA 0.318 4.877 4.556 0.005 0.000 0.269 213 H C 1.792 177.129 175.328 0.015 0.000 0.980 213 H CA 0.454 56.510 56.048 0.012 0.000 1.152 213 H CB 0.116 29.883 29.762 0.008 0.000 1.407 213 H HN 0.506 nan 8.280 nan 0.000 0.564 214 G N 1.307 110.169 108.800 0.104 0.000 2.246 214 G HA2 -0.225 3.739 3.960 0.006 0.000 0.273 214 G HA3 -0.225 3.739 3.960 0.006 0.000 0.273 214 G C 0.658 175.607 174.900 0.081 0.000 1.055 214 G CA 0.318 45.461 45.100 0.073 0.000 0.851 214 G HN 0.678 nan 8.290 nan 0.000 0.500 215 G N -1.680 107.176 108.800 0.094 0.000 2.511 215 G HA2 0.885 4.849 3.960 0.006 0.000 0.316 215 G HA3 0.885 4.849 3.960 0.006 0.000 0.316 215 G C 0.277 175.221 174.900 0.075 0.000 1.210 215 G CA 0.073 45.220 45.100 0.079 0.000 0.969 215 G HN 1.584 nan 8.290 nan 0.000 0.492 216 V N -2.258 117.702 119.914 0.076 0.000 2.850 216 V HA 0.720 4.843 4.120 0.006 0.000 0.315 216 V C -0.994 175.173 176.094 0.121 0.000 1.064 216 V CA -1.361 60.984 62.300 0.075 0.000 0.979 216 V CB 1.587 33.417 31.823 0.012 0.000 1.039 216 V HN 0.681 nan 8.190 nan 0.000 0.452 217 Y N 2.736 123.043 120.300 0.013 0.000 2.331 217 Y HA 0.796 5.349 4.550 0.005 0.000 0.338 217 Y C 0.047 175.968 175.900 0.036 0.000 0.976 217 Y CA -0.265 57.849 58.100 0.024 0.000 1.137 217 Y CB 0.861 39.330 38.460 0.015 0.000 1.172 217 Y HN 1.146 nan 8.280 nan 0.000 0.478 218 A N 4.402 126.939 122.820 -0.473 0.000 2.355 218 A HA 0.757 5.080 4.320 0.006 0.000 0.324 218 A C -0.810 176.487 177.584 -0.478 0.000 1.117 218 A CA -0.565 51.289 52.037 -0.306 0.000 0.785 218 A CB 1.575 20.541 19.000 -0.055 0.000 1.254 218 A HN 0.693 nan 8.150 nan 0.000 0.453 219 T N 0.039 114.457 114.554 -0.227 0.000 2.993 219 T HA 0.409 4.763 4.350 0.006 0.000 0.312 219 T C -1.290 173.427 174.700 0.028 0.000 1.115 219 T CA -0.367 61.665 62.100 -0.114 0.000 1.027 219 T CB 0.694 69.528 68.868 -0.058 0.000 1.116 219 T HN 0.807 nan 8.240 nan 0.000 0.464 220 H N 5.758 124.849 119.070 0.034 0.000 2.846 220 H HA 0.511 5.071 4.556 0.007 0.000 0.278 220 H C 0.767 176.151 175.328 0.094 0.000 1.117 220 H CA -0.832 55.265 56.048 0.081 0.000 1.406 220 H CB 0.356 30.294 29.762 0.293 0.000 1.445 220 H HN 0.542 nan 8.280 nan 0.000 0.469 221 M N 3.970 123.699 119.600 0.214 0.000 2.245 221 M HA -0.061 4.422 4.480 0.006 0.000 0.312 221 M C 1.982 178.427 176.300 0.241 0.000 1.070 221 M CA 0.509 55.910 55.300 0.168 0.000 1.162 221 M CB 0.713 33.348 32.600 0.058 0.000 1.448 221 M HN 0.737 nan 8.290 nan 0.000 0.446 222 R N 0.754 121.355 120.500 0.168 0.000 2.127 222 R HA -0.134 4.209 4.340 0.006 0.000 0.238 222 R C -0.240 176.198 176.300 0.230 0.000 1.134 222 R CA 1.667 57.874 56.100 0.179 0.000 0.975 222 R CB 0.207 30.566 30.300 0.099 0.000 0.865 222 R HN 0.770 nan 8.270 nan 0.000 0.447 223 D N -1.882 118.616 120.400 0.163 0.000 2.753 223 D HA 0.106 4.749 4.640 0.006 0.000 0.224 223 D C -1.091 175.241 176.300 0.054 0.000 1.213 223 D CA -0.502 53.589 54.000 0.152 0.000 0.833 223 D CB 1.617 42.525 40.800 0.180 0.000 1.607 223 D HN 0.011 nan 8.370 nan 0.000 0.463 224 E N 1.569 121.756 120.200 -0.021 0.000 2.734 224 E HA 0.309 4.663 4.350 0.006 0.000 0.211 224 E C 0.297 176.865 176.600 -0.053 0.000 0.991 224 E CA -0.420 55.944 56.400 -0.059 0.000 1.065 224 E CB 1.568 31.176 29.700 -0.153 0.000 1.047 224 E HN 0.452 nan 8.360 nan 0.000 0.470 225 G N 1.030 109.818 108.800 -0.020 0.000 3.244 225 G HA2 -0.032 3.932 3.960 0.006 0.000 0.197 225 G HA3 -0.032 3.932 3.960 0.006 0.000 0.197 225 G C 0.751 175.612 174.900 -0.066 0.000 1.531 225 G CA -0.157 44.920 45.100 -0.037 0.000 0.747 225 G HN 0.115 nan 8.290 nan 0.000 0.763 226 E N -0.125 119.999 120.200 -0.127 0.000 2.130 226 E HA -0.183 4.170 4.350 0.006 0.000 0.196 226 E C 0.795 177.155 176.600 -0.400 0.000 0.998 226 E CA 1.056 57.279 56.400 -0.295 0.000 0.806 226 E CB -0.086 29.356 29.700 -0.430 0.000 0.738 226 E HN 0.471 nan 8.360 nan 0.000 0.459 227 H N -0.236 118.835 119.070 0.002 0.000 2.503 227 H HA 0.130 4.690 4.556 0.006 0.000 0.296 227 H C 1.357 176.685 175.328 0.000 0.000 1.097 227 H CA -0.122 55.927 56.048 0.002 0.000 1.055 227 H CB 0.190 29.956 29.762 0.007 0.000 1.580 227 H HN 0.290 nan 8.280 nan 0.000 0.546 228 I N 0.112 120.713 120.570 0.052 0.000 2.394 228 I HA -0.215 3.959 4.170 0.006 0.000 0.251 228 I C 1.714 177.843 176.117 0.019 0.000 1.136 228 I CA 0.584 61.906 61.300 0.037 0.000 1.425 228 I CB 0.216 38.231 38.000 0.024 0.000 1.079 228 I HN 0.019 nan 8.210 nan 0.000 0.425 229 V N 0.774 120.703 119.914 0.024 0.000 2.343 229 V HA -0.297 3.827 4.120 0.006 0.000 0.247 229 V C 2.378 178.474 176.094 0.003 0.000 1.051 229 V CA 1.768 64.078 62.300 0.017 0.000 1.036 229 V CB -0.674 31.169 31.823 0.032 0.000 0.654 229 V HN 0.448 nan 8.190 nan 0.000 0.451 230 Q N 0.226 120.048 119.800 0.036 0.000 2.124 230 Q HA -0.064 4.279 4.340 0.006 0.000 0.202 230 Q C 2.263 178.250 176.000 -0.022 0.000 0.977 230 Q CA 1.830 57.646 55.803 0.022 0.000 0.850 230 Q CB -0.720 28.050 28.738 0.054 0.000 0.901 230 Q HN 0.657 nan 8.270 nan 0.000 0.429 231 A N -0.097 122.715 122.820 -0.015 0.000 1.929 231 A HA -0.074 4.250 4.320 0.006 0.000 0.216 231 A C 2.011 179.502 177.584 -0.155 0.000 1.176 231 A CA 0.839 52.853 52.037 -0.039 0.000 0.628 231 A CB -0.547 18.462 19.000 0.014 0.000 0.816 231 A HN 0.330 nan 8.150 nan 0.000 0.444 232 L N -0.551 120.532 121.223 -0.234 0.000 2.017 232 L HA -0.161 4.183 4.340 0.006 0.000 0.208 232 L C 2.640 179.010 176.870 -0.834 0.000 1.073 232 L CA 1.240 55.728 54.840 -0.585 0.000 0.745 232 L CB -0.437 41.352 42.059 -0.449 0.000 0.894 232 L HN 0.303 nan 8.230 nan 0.000 0.432 233 E N -0.087 119.901 120.200 -0.353 0.000 2.110 233 E HA -0.274 4.079 4.350 0.006 0.000 0.193 233 E C 1.955 178.481 176.600 -0.122 0.000 0.988 233 E CA 1.142 57.459 56.400 -0.137 0.000 0.804 233 E CB -0.132 29.572 29.700 0.007 0.000 0.745 233 E HN 0.512 nan 8.360 nan 0.000 0.458 234 E N 0.269 120.394 120.200 -0.125 0.000 2.077 234 E HA -0.153 4.200 4.350 0.006 0.000 0.193 234 E C 1.773 178.316 176.600 -0.095 0.000 0.989 234 E CA 1.626 57.980 56.400 -0.076 0.000 0.800 234 E CB 0.094 29.767 29.700 -0.046 0.000 0.746 234 E HN 0.098 nan 8.360 nan 0.000 0.452 235 T N 0.499 114.950 114.554 -0.172 0.000 2.746 235 T HA -0.131 4.223 4.350 0.006 0.000 0.267 235 T C 1.376 176.053 174.700 -0.039 0.000 1.039 235 T CA 1.350 63.382 62.100 -0.115 0.000 1.142 235 T CB -0.316 68.451 68.868 -0.169 0.000 0.866 235 T HN 0.171 nan 8.240 nan 0.000 0.444 236 F N 1.524 121.471 119.950 -0.005 0.000 2.186 236 F HA 0.101 4.631 4.527 0.005 0.000 0.299 236 F C 2.473 178.246 175.800 -0.044 0.000 1.090 236 F CA 0.362 58.350 58.000 -0.020 0.000 1.307 236 F CB -0.928 38.065 39.000 -0.012 0.000 1.019 236 F HN -0.000 nan 8.300 nan 0.000 0.489 237 R N 1.209 121.779 120.500 0.117 0.000 2.073 237 R HA -0.110 4.233 4.340 0.006 0.000 0.234 237 R C 2.069 178.349 176.300 -0.034 0.000 1.134 237 R CA 1.555 57.677 56.100 0.036 0.000 0.952 237 R CB -1.093 29.215 30.300 0.013 0.000 0.850 237 R HN 0.329 nan 8.270 nan 0.000 0.433 238 I N 0.099 120.609 120.570 -0.100 0.000 2.163 238 I HA -0.211 3.963 4.170 0.006 0.000 0.243 238 I C 2.300 178.276 176.117 -0.236 0.000 1.085 238 I CA 1.709 62.870 61.300 -0.231 0.000 1.347 238 I CB -0.760 36.984 38.000 -0.426 0.000 1.044 238 I HN 0.479 nan 8.210 nan 0.000 0.408 239 G N 0.550 109.259 108.800 -0.151 0.000 2.440 239 G HA2 -0.234 3.729 3.960 0.006 0.000 0.218 239 G HA3 -0.234 3.729 3.960 0.006 0.000 0.218 239 G C 1.815 176.689 174.900 -0.043 0.000 1.154 239 G CA 0.511 45.565 45.100 -0.076 0.000 0.767 239 G HN 0.315 nan 8.290 nan 0.000 0.552 240 R N 0.003 120.492 120.500 -0.018 0.000 2.092 240 R HA -0.004 4.339 4.340 0.006 0.000 0.231 240 R C 2.461 178.743 176.300 -0.030 0.000 1.119 240 R CA 1.097 57.188 56.100 -0.015 0.000 0.970 240 R CB -0.114 30.186 30.300 -0.000 0.000 0.864 240 R HN 0.254 nan 8.270 nan 0.000 0.440 241 E N 0.828 120.999 120.200 -0.048 0.000 2.106 241 E HA -0.114 4.240 4.350 0.006 0.000 0.192 241 E C 2.056 178.625 176.600 -0.053 0.000 0.984 241 E CA 0.952 57.322 56.400 -0.049 0.000 0.806 241 E CB -0.036 29.628 29.700 -0.060 0.000 0.750 241 E HN 0.355 nan 8.360 nan 0.000 0.458 242 L N 0.317 121.494 121.223 -0.076 0.000 2.270 242 L HA -0.040 4.304 4.340 0.006 0.000 0.210 242 L C 0.482 177.334 176.870 -0.030 0.000 1.104 242 L CA 0.326 55.130 54.840 -0.061 0.000 0.804 242 L CB -0.175 41.825 42.059 -0.098 0.000 0.937 242 L HN 0.079 nan 8.230 nan 0.000 0.450 243 D N 0.370 120.754 120.400 -0.028 0.000 2.723 243 D HA -0.145 4.498 4.640 0.006 0.000 0.236 243 D C -0.502 175.797 176.300 -0.002 0.000 1.138 243 D CA 0.858 54.850 54.000 -0.013 0.000 0.676 243 D CB -0.753 40.041 40.800 -0.010 0.000 1.069 243 D HN 0.178 nan 8.370 nan 0.000 0.430 244 V N -4.129 115.787 119.914 0.003 0.000 3.160 244 V HA 0.920 5.043 4.120 0.006 0.000 0.310 244 V C -2.569 173.544 176.094 0.032 0.000 1.181 244 V CA -2.041 60.273 62.300 0.023 0.000 1.047 244 V CB 2.034 33.885 31.823 0.046 0.000 1.068 244 V HN -0.092 nan 8.190 nan 0.000 0.441 245 P HA 0.390 nan 4.420 nan 0.000 0.271 245 P C -0.558 176.784 177.300 0.069 0.000 1.216 245 P CA -0.008 63.104 63.100 0.020 0.000 0.776 245 P CB 0.937 32.621 31.700 -0.027 0.000 0.881 246 V N 1.353 121.320 119.914 0.089 0.000 2.581 246 V HA 0.665 4.788 4.120 0.006 0.000 0.303 246 V C -0.583 175.557 176.094 0.076 0.000 1.041 246 V CA -0.825 61.582 62.300 0.179 0.000 0.907 246 V CB 2.109 34.087 31.823 0.259 0.000 0.994 246 V HN 0.169 nan 8.190 nan 0.000 0.442 247 V N 5.674 125.619 119.914 0.052 0.000 2.444 247 V HA 0.477 4.600 4.120 0.006 0.000 0.294 247 V C -0.073 176.033 176.094 0.021 0.000 1.022 247 V CA -0.365 61.932 62.300 -0.005 0.000 0.850 247 V CB 1.540 33.333 31.823 -0.049 0.000 0.992 247 V HN 0.848 nan 8.190 nan 0.000 0.426 248 I N 3.817 124.397 120.570 0.017 0.000 2.337 248 I HA 0.241 4.414 4.170 0.006 0.000 0.291 248 I C 0.702 176.791 176.117 -0.047 0.000 1.046 248 I CA 0.388 61.676 61.300 -0.021 0.000 1.324 248 I CB 1.200 39.166 38.000 -0.056 0.000 1.409 248 I HN 0.554 nan 8.210 nan 0.000 0.494 249 S N 4.559 120.178 115.700 -0.136 0.000 2.565 249 S HA 0.126 4.599 4.470 0.006 0.000 0.276 249 S C 0.019 174.307 174.600 -0.520 0.000 1.326 249 S CA -0.386 57.627 58.200 -0.311 0.000 1.045 249 S CB 0.280 63.192 63.200 -0.480 0.000 0.918 249 S HN 0.885 nan 8.310 nan 0.000 0.505 250 H N -0.512 118.457 119.070 -0.168 0.000 2.394 250 H HA -0.232 4.327 4.556 0.005 0.000 0.322 250 H C -0.370 174.834 175.328 -0.205 0.000 1.012 250 H CA 0.763 56.672 56.048 -0.231 0.000 1.084 250 H CB -2.528 27.111 29.762 -0.205 0.000 1.597 250 H HN 0.675 nan 8.280 nan 0.000 0.375 251 H N 2.098 121.103 119.070 -0.108 0.000 2.848 251 H HA 0.446 5.004 4.556 0.004 0.000 0.341 251 H C 0.729 175.961 175.328 -0.160 0.000 1.060 251 H CA 0.554 56.536 56.048 -0.109 0.000 1.444 251 H CB 0.577 30.287 29.762 -0.087 0.000 1.446 251 H HN 0.861 nan 8.280 nan 0.000 0.583 252 K N 1.800 121.816 120.400 -0.641 0.000 2.615 252 K HA 0.512 4.836 4.320 0.006 0.000 0.291 252 K C -1.889 174.444 176.600 -0.445 0.000 1.017 252 K CA -0.884 55.097 56.287 -0.510 0.000 0.882 252 K CB 1.031 33.347 32.500 -0.307 0.000 1.522 252 K HN 0.325 nan 8.250 nan 0.000 0.412 253 V N -1.097 118.657 119.914 -0.267 0.000 2.407 253 V HA 0.607 4.730 4.120 0.006 0.000 0.291 253 V C -0.273 175.817 176.094 -0.006 0.000 1.018 253 V CA -0.836 61.393 62.300 -0.120 0.000 0.842 253 V CB 0.807 32.587 31.823 -0.071 0.000 0.996 253 V HN 0.879 nan 8.190 nan 0.000 0.426 254 M N 3.167 122.763 119.600 -0.007 0.000 2.472 254 M HA 1.011 5.494 4.480 0.006 0.000 0.331 254 M C 0.271 176.597 176.300 0.044 0.000 1.170 254 M CA 0.064 55.395 55.300 0.052 0.000 1.009 254 M CB 1.668 34.252 32.600 -0.026 0.000 1.672 254 M HN 1.635 nan 8.290 nan 0.000 0.453 255 G N 1.904 110.748 108.800 0.073 0.000 2.785 255 G HA2 -0.147 3.816 3.960 0.006 0.000 0.686 255 G HA3 -0.147 3.816 3.960 0.006 0.000 0.686 255 G C -0.258 174.301 174.900 -0.568 0.000 1.155 255 G CA -0.378 44.634 45.100 -0.146 0.000 0.760 255 G HN 0.976 nan 8.290 nan 0.000 0.624 256 K N 0.542 120.422 120.400 -0.868 0.000 2.152 256 K HA -0.042 4.281 4.320 0.006 0.000 0.206 256 K C 2.485 178.675 176.600 -0.683 0.000 1.048 256 K CA 1.589 57.083 56.287 -1.322 0.000 0.933 256 K CB -0.124 31.951 32.500 -0.708 0.000 0.721 256 K HN 0.498 nan 8.250 nan 0.000 0.447 257 L N 1.043 122.044 121.223 -0.370 0.000 2.551 257 L HA -0.100 4.243 4.340 0.006 0.000 0.228 257 L C 1.090 177.878 176.870 -0.137 0.000 1.153 257 L CA 0.552 55.269 54.840 -0.205 0.000 0.851 257 L CB -0.135 41.833 42.059 -0.151 0.000 0.959 257 L HN 0.228 nan 8.230 nan 0.000 0.451 258 N N -1.220 117.403 118.700 -0.128 0.000 2.171 258 N HA 0.090 4.833 4.740 0.006 0.000 0.212 258 N C 0.017 175.619 175.510 0.153 0.000 1.184 258 N CA -0.102 52.947 53.050 -0.003 0.000 0.888 258 N CB 0.621 39.101 38.487 -0.010 0.000 1.038 258 N HN 0.023 nan 8.380 nan 0.000 0.517 259 F N 1.453 121.378 119.950 -0.042 0.000 2.572 259 F HA 0.226 4.757 4.527 0.007 0.000 0.370 259 F C 1.911 177.689 175.800 -0.036 0.000 1.103 259 F CA 0.598 58.575 58.000 -0.037 0.000 1.286 259 F CB -0.067 38.920 39.000 -0.022 0.000 1.105 259 F HN 0.290 nan 8.300 nan 0.000 0.583 260 G N 3.247 112.120 108.800 0.122 0.000 2.217 260 G HA2 -0.342 3.621 3.960 0.006 0.000 0.246 260 G HA3 -0.342 3.621 3.960 0.006 0.000 0.246 260 G C 1.383 176.295 174.900 0.020 0.000 0.990 260 G CA 0.135 45.263 45.100 0.046 0.000 0.627 260 G HN 0.601 nan 8.290 nan 0.000 0.522 261 R N 1.104 121.620 120.500 0.026 0.000 2.339 261 R HA 0.116 4.460 4.340 0.006 0.000 0.199 261 R C 2.676 178.967 176.300 -0.016 0.000 1.018 261 R CA 1.138 57.241 56.100 0.005 0.000 1.036 261 R CB -0.137 30.166 30.300 0.005 0.000 0.899 261 R HN 0.631 nan 8.270 nan 0.000 0.473 262 S N 0.786 116.461 115.700 -0.042 0.000 2.447 262 S HA -0.123 4.350 4.470 0.006 0.000 0.233 262 S C 1.624 176.195 174.600 -0.049 0.000 1.006 262 S CA 0.714 58.875 58.200 -0.065 0.000 0.957 262 S CB 0.022 63.156 63.200 -0.110 0.000 0.773 262 S HN 0.267 nan 8.310 nan 0.000 0.507 263 K N 1.325 121.705 120.400 -0.033 0.000 2.026 263 K HA -0.147 4.176 4.320 0.006 0.000 0.208 263 K C 2.430 179.016 176.600 -0.024 0.000 1.048 263 K CA 1.652 57.923 56.287 -0.026 0.000 0.929 263 K CB -0.216 32.279 32.500 -0.009 0.000 0.713 263 K HN 0.665 nan 8.250 nan 0.000 0.439 264 E N 0.623 120.817 120.200 -0.009 0.000 2.047 264 E HA -0.177 4.176 4.350 0.006 0.000 0.191 264 E C 1.911 178.516 176.600 0.008 0.000 0.987 264 E CA 1.855 58.257 56.400 0.003 0.000 0.799 264 E CB 0.003 29.709 29.700 0.009 0.000 0.752 264 E HN 0.381 nan 8.360 nan 0.000 0.449 265 T N -0.460 114.107 114.554 0.021 0.000 2.821 265 T HA -0.091 4.262 4.350 0.006 0.000 0.267 265 T C 2.117 176.800 174.700 -0.030 0.000 1.046 265 T CA 1.037 63.172 62.100 0.057 0.000 1.139 265 T CB -0.448 68.539 68.868 0.197 0.000 0.871 265 T HN 0.154 nan 8.240 nan 0.000 0.454 266 L N 0.921 122.068 121.223 -0.128 0.000 2.141 266 L HA 0.085 4.428 4.340 0.006 0.000 0.209 266 L C 3.322 180.038 176.870 -0.257 0.000 1.094 266 L CA 1.055 55.636 54.840 -0.431 0.000 0.763 266 L CB -0.737 40.949 42.059 -0.621 0.000 0.908 266 L HN 0.395 nan 8.230 nan 0.000 0.437 267 A N 0.176 122.940 122.820 -0.094 0.000 1.930 267 A HA -0.137 4.187 4.320 0.006 0.000 0.217 267 A C 2.244 179.832 177.584 0.006 0.000 1.175 267 A CA 1.263 53.291 52.037 -0.014 0.000 0.627 267 A CB -0.560 18.442 19.000 0.005 0.000 0.815 267 A HN 0.346 nan 8.150 nan 0.000 0.443 268 L N -0.695 120.542 121.223 0.024 0.000 2.056 268 L HA -0.147 4.196 4.340 0.006 0.000 0.207 268 L C 2.454 179.358 176.870 0.057 0.000 1.078 268 L CA 1.140 56.029 54.840 0.080 0.000 0.749 268 L CB -0.474 41.694 42.059 0.182 0.000 0.901 268 L HN 0.367 nan 8.230 nan 0.000 0.433 269 I N -0.332 120.279 120.570 0.069 0.000 2.252 269 I HA -0.284 3.890 4.170 0.006 0.000 0.245 269 I C 2.620 178.758 176.117 0.035 0.000 1.102 269 I CA 1.283 62.623 61.300 0.067 0.000 1.385 269 I CB -0.249 37.753 38.000 0.003 0.000 1.064 269 I HN 0.319 nan 8.210 nan 0.000 0.414 270 E N 1.215 121.486 120.200 0.119 0.000 2.077 270 E HA -0.255 4.098 4.350 0.006 0.000 0.193 270 E C 2.266 178.886 176.600 0.034 0.000 0.989 270 E CA 1.351 57.869 56.400 0.196 0.000 0.800 270 E CB -0.006 29.860 29.700 0.276 0.000 0.746 270 E HN 0.495 nan 8.360 nan 0.000 0.452 271 A N 1.094 123.901 122.820 -0.022 0.000 1.898 271 A HA -0.077 4.246 4.320 0.006 0.000 0.216 271 A C 2.376 179.862 177.584 -0.163 0.000 1.181 271 A CA 1.687 53.682 52.037 -0.070 0.000 0.620 271 A CB -0.694 18.272 19.000 -0.057 0.000 0.819 271 A HN 0.401 nan 8.150 nan 0.000 0.442 272 A N -0.533 122.091 122.820 -0.327 0.000 1.933 272 A HA -0.117 4.206 4.320 0.006 0.000 0.218 272 A C 2.194 179.604 177.584 -0.290 0.000 1.175 272 A CA 1.746 53.469 52.037 -0.523 0.000 0.628 272 A CB -0.564 17.624 19.000 -1.353 0.000 0.814 272 A HN 0.527 nan 8.150 nan 0.000 0.444 273 M N -0.491 119.006 119.600 -0.172 0.000 2.358 273 M HA -0.142 4.341 4.480 0.006 0.000 0.264 273 M C 2.262 178.525 176.300 -0.061 0.000 1.064 273 M CA 1.153 56.406 55.300 -0.078 0.000 1.093 273 M CB -0.281 32.316 32.600 -0.006 0.000 1.401 273 M HN 0.489 nan 8.290 nan 0.000 0.440 274 A N -0.344 122.437 122.820 -0.066 0.000 2.066 274 A HA -0.075 4.248 4.320 0.006 0.000 0.218 274 A C 2.173 179.725 177.584 -0.052 0.000 1.157 274 A CA 1.717 53.725 52.037 -0.047 0.000 0.670 274 A CB -0.372 18.605 19.000 -0.039 0.000 0.804 274 A HN 0.554 nan 8.150 nan 0.000 0.453 275 S N -1.826 113.828 115.700 -0.076 0.000 2.559 275 S HA 0.253 4.726 4.470 0.006 0.000 0.226 275 S C 0.442 175.005 174.600 -0.063 0.000 1.030 275 S CA 0.075 58.236 58.200 -0.065 0.000 0.956 275 S CB -0.090 63.068 63.200 -0.070 0.000 0.900 275 S HN 0.765 nan 8.310 nan 0.000 0.510 276 Q N -0.101 119.653 119.800 -0.078 0.000 2.626 276 Q HA 0.492 4.835 4.340 0.006 0.000 0.300 276 Q C -2.139 173.834 176.000 -0.045 0.000 0.988 276 Q CA -0.942 54.828 55.803 -0.055 0.000 0.761 276 Q CB 0.581 29.286 28.738 -0.055 0.000 1.494 276 Q HN -0.037 nan 8.270 nan 0.000 0.439 277 D N 1.192 121.580 120.400 -0.021 0.000 2.365 277 D HA 0.388 5.032 4.640 0.006 0.000 0.237 277 D C -1.291 175.014 176.300 0.007 0.000 1.190 277 D CA -0.054 53.939 54.000 -0.011 0.000 0.867 277 D CB 0.975 41.770 40.800 -0.008 0.000 1.050 277 D HN 0.386 nan 8.370 nan 0.000 0.491 278 V N 2.530 122.448 119.914 0.006 0.000 2.789 278 V HA 0.561 4.685 4.120 0.006 0.000 0.311 278 V C 0.014 176.124 176.094 0.027 0.000 1.073 278 V CA -0.706 61.620 62.300 0.044 0.000 0.921 278 V CB 2.202 34.063 31.823 0.064 0.000 1.009 278 V HN 0.510 nan 8.190 nan 0.000 0.426 279 S N 3.728 119.440 115.700 0.020 0.000 2.661 279 S HA 0.927 5.401 4.470 0.006 0.000 0.285 279 S C -1.012 173.602 174.600 0.023 0.000 1.138 279 S CA -0.732 57.464 58.200 -0.007 0.000 0.855 279 S CB 2.243 65.379 63.200 -0.107 0.000 1.136 279 S HN 0.894 nan 8.310 nan 0.000 0.484 280 L N -0.217 121.028 121.223 0.036 0.000 2.622 280 L HA 0.941 5.284 4.340 0.006 0.000 0.258 280 L C -2.205 174.706 176.870 0.068 0.000 0.996 280 L CA -1.028 53.841 54.840 0.049 0.000 0.858 280 L CB 2.132 44.220 42.059 0.049 0.000 1.449 280 L HN 0.708 nan 8.230 nan 0.000 0.411 281 D N 0.850 121.293 120.400 0.072 0.000 2.559 281 D HA 0.917 5.560 4.640 0.006 0.000 0.250 281 D C -0.930 175.391 176.300 0.036 0.000 1.135 281 D CA -0.332 53.713 54.000 0.076 0.000 0.955 281 D CB 2.226 43.106 40.800 0.134 0.000 1.442 281 D HN 1.077 nan 8.370 nan 0.000 0.471 282 A N -0.504 122.319 122.820 0.005 0.000 2.610 282 A HA 0.646 4.970 4.320 0.006 0.000 0.291 282 A C -1.834 175.708 177.584 -0.071 0.000 1.086 282 A CA -1.159 50.816 52.037 -0.103 0.000 0.677 282 A CB 0.889 19.808 19.000 -0.134 0.000 1.278 282 A HN 0.756 nan 8.150 nan 0.000 0.414 283 Y N -0.634 119.655 120.300 -0.019 0.000 2.457 283 Y HA 0.789 5.343 4.550 0.008 0.000 0.333 283 Y C -2.335 173.577 175.900 0.021 0.000 1.119 283 Y CA -3.234 54.864 58.100 -0.003 0.000 1.143 283 Y CB 0.992 39.472 38.460 0.034 0.000 1.230 283 Y HN 0.351 nan 8.280 nan 0.000 0.469 284 P HA 0.190 nan 4.420 nan 0.000 0.220 284 P C -1.659 175.537 177.300 -0.174 0.000 1.793 284 P CA 0.392 63.438 63.100 -0.092 0.000 0.917 284 P CB -0.666 30.963 31.700 -0.119 0.000 1.755 285 Y N -1.549 118.934 120.300 0.305 0.000 2.615 285 Y HA 0.217 4.771 4.550 0.008 0.000 0.341 285 Y C 1.312 177.392 175.900 0.299 0.000 1.089 285 Y CA -1.080 57.248 58.100 0.380 0.000 1.049 285 Y CB 1.679 40.462 38.460 0.538 0.000 1.296 285 Y HN -0.248 nan 8.280 nan 0.000 0.470 286 V N -1.596 118.583 119.914 0.442 0.000 3.596 286 V HA 0.717 4.841 4.120 0.006 0.000 0.289 286 V C 0.268 176.466 176.094 0.174 0.000 1.336 286 V CA 0.365 62.810 62.300 0.242 0.000 1.137 286 V CB -0.585 31.349 31.823 0.185 0.000 0.966 286 V HN 0.639 nan 8.190 nan 0.000 0.428 287 A N -0.120 122.822 122.820 0.204 0.000 2.386 287 A HA 0.919 5.242 4.320 0.006 0.000 0.311 287 A C 0.228 177.961 177.584 0.249 0.000 1.068 287 A CA 0.003 51.977 52.037 -0.106 0.000 0.743 287 A CB 1.381 19.748 19.000 -1.056 0.000 1.258 287 A HN 0.653 nan 8.150 nan 0.000 0.429 288 G N -0.427 108.469 108.800 0.161 0.000 2.557 288 G HA2 0.611 4.575 3.960 0.006 0.000 0.302 288 G HA3 0.611 4.575 3.960 0.006 0.000 0.302 288 G C -0.372 174.629 174.900 0.167 0.000 1.311 288 G CA -0.062 45.133 45.100 0.158 0.000 1.030 288 G HN 1.425 nan 8.290 nan 0.000 0.509 289 S N -1.937 113.833 115.700 0.115 0.000 2.548 289 S HA 0.667 5.140 4.470 0.006 0.000 0.278 289 S C -0.656 174.052 174.600 0.180 0.000 1.150 289 S CA 0.189 58.467 58.200 0.130 0.000 0.907 289 S CB 1.649 64.886 63.200 0.062 0.000 1.108 289 S HN 1.223 nan 8.310 nan 0.000 0.459 290 T N 2.753 117.464 114.554 0.260 0.000 2.676 290 T HA 0.407 4.761 4.350 0.006 0.000 0.299 290 T C -0.926 173.929 174.700 0.259 0.000 1.657 290 T CA -0.204 62.067 62.100 0.286 0.000 0.985 290 T CB 0.131 69.270 68.868 0.451 0.000 1.926 290 T HN 1.006 nan 8.240 nan 0.000 0.456 291 M N 1.792 121.538 119.600 0.244 0.000 2.252 291 M HA 0.457 4.940 4.480 0.006 0.000 0.321 291 M C -0.088 176.317 176.300 0.175 0.000 1.070 291 M CA -0.304 55.084 55.300 0.147 0.000 1.143 291 M CB -0.123 32.549 32.600 0.121 0.000 1.498 291 M HN 0.469 nan 8.290 nan 0.000 0.445 292 L N 2.931 124.148 121.223 -0.010 0.000 2.410 292 L HA 0.346 4.690 4.340 0.006 0.000 0.273 292 L C -0.395 176.524 176.870 0.083 0.000 1.144 292 L CA 0.958 55.824 54.840 0.044 0.000 0.863 292 L CB 0.109 42.088 42.059 -0.132 0.000 1.140 292 L HN 0.846 nan 8.230 nan 0.000 0.463 293 K N 3.702 124.194 120.400 0.155 0.000 2.469 293 K HA 0.335 4.659 4.320 0.006 0.000 0.254 293 K C -0.962 175.618 176.600 -0.034 0.000 0.939 293 K CA -0.662 55.651 56.287 0.043 0.000 0.812 293 K CB 1.490 34.035 32.500 0.074 0.000 1.301 293 K HN 0.613 nan 8.250 nan 0.000 0.433 294 Q N 2.742 122.449 119.800 -0.154 0.000 2.431 294 Q HA 0.036 4.380 4.340 0.006 0.000 0.234 294 Q C -1.242 174.678 176.000 -0.133 0.000 1.203 294 Q CA 0.367 55.949 55.803 -0.368 0.000 0.902 294 Q CB 0.397 28.766 28.738 -0.614 0.000 1.455 294 Q HN 0.351 nan 8.270 nan 0.000 0.515 295 D N 1.828 122.269 120.400 0.068 0.000 2.855 295 D HA 0.121 4.764 4.640 0.006 0.000 0.241 295 D C 0.560 177.006 176.300 0.244 0.000 1.277 295 D CA -0.427 53.674 54.000 0.167 0.000 0.918 295 D CB 1.020 41.852 40.800 0.053 0.000 1.462 295 D HN 0.332 nan 8.370 nan 0.000 0.559 296 R N 1.926 122.568 120.500 0.238 0.000 2.152 296 R HA -0.042 4.301 4.340 0.006 0.000 0.232 296 R C 1.622 177.949 176.300 0.045 0.000 1.117 296 R CA 0.902 57.056 56.100 0.090 0.000 0.981 296 R CB 0.021 30.276 30.300 -0.075 0.000 0.870 296 R HN 0.305 nan 8.270 nan 0.000 0.451 297 V N 1.284 121.219 119.914 0.035 0.000 2.379 297 V HA -0.118 4.005 4.120 0.006 0.000 0.243 297 V C 2.428 178.515 176.094 -0.012 0.000 1.035 297 V CA 1.077 63.377 62.300 0.001 0.000 1.035 297 V CB -0.410 31.410 31.823 -0.005 0.000 0.673 297 V HN 0.177 nan 8.190 nan 0.000 0.457 298 L N -0.310 120.873 121.223 -0.066 0.000 2.079 298 L HA -0.161 4.183 4.340 0.006 0.000 0.210 298 L C 2.045 178.896 176.870 -0.033 0.000 1.081 298 L CA 1.548 56.239 54.840 -0.248 0.000 0.752 298 L CB -0.349 41.292 42.059 -0.695 0.000 0.896 298 L HN 0.326 nan 8.230 nan 0.000 0.433 299 L N -1.111 120.155 121.223 0.070 0.000 2.611 299 L HA 0.125 4.468 4.340 0.006 0.000 0.229 299 L C 2.429 179.376 176.870 0.129 0.000 1.137 299 L CA -0.062 54.883 54.840 0.174 0.000 0.901 299 L CB -0.340 41.838 42.059 0.198 0.000 1.098 299 L HN 0.111 nan 8.230 nan 0.000 0.456 300 A N 0.412 123.283 122.820 0.084 0.000 1.930 300 A HA 0.124 4.447 4.320 0.006 0.000 0.217 300 A C 1.487 179.108 177.584 0.061 0.000 1.175 300 A CA 1.459 53.525 52.037 0.049 0.000 0.627 300 A CB -0.449 18.553 19.000 0.004 0.000 0.815 300 A HN 0.396 nan 8.150 nan 0.000 0.443 301 G N -1.465 107.398 108.800 0.104 0.000 2.990 301 G HA2 0.465 4.429 3.960 0.006 0.000 0.208 301 G HA3 0.465 4.429 3.960 0.006 0.000 0.208 301 G C -0.246 174.730 174.900 0.127 0.000 1.334 301 G CA -0.811 44.354 45.100 0.109 0.000 1.024 301 G HN 0.417 nan 8.290 nan 0.000 0.574 302 R N -0.318 120.244 120.500 0.104 0.000 2.538 302 R HA 0.298 4.641 4.340 0.006 0.000 0.282 302 R C -0.956 175.471 176.300 0.211 0.000 1.009 302 R CA 0.627 56.758 56.100 0.052 0.000 1.063 302 R CB -0.133 30.050 30.300 -0.195 0.000 0.945 302 R HN 0.335 nan 8.270 nan 0.000 0.414 303 T N 5.996 120.622 114.554 0.121 0.000 2.928 303 T HA 0.386 4.739 4.350 0.006 0.000 0.296 303 T C -0.656 174.044 174.700 -0.000 0.000 1.000 303 T CA -0.645 61.506 62.100 0.085 0.000 0.989 303 T CB 1.092 70.022 68.868 0.102 0.000 1.005 303 T HN 0.416 nan 8.240 nan 0.000 0.442 304 L N 3.232 124.430 121.223 -0.042 0.000 2.334 304 L HA 0.614 4.958 4.340 0.006 0.000 0.276 304 L C -0.329 176.473 176.870 -0.112 0.000 1.014 304 L CA -1.390 53.423 54.840 -0.045 0.000 0.815 304 L CB 1.440 43.509 42.059 0.017 0.000 1.268 304 L HN 0.387 nan 8.230 nan 0.000 0.428 305 I N 1.476 121.994 120.570 -0.086 0.000 2.395 305 I HA 0.083 4.257 4.170 0.006 0.000 0.289 305 I C 1.374 177.454 176.117 -0.061 0.000 1.023 305 I CA 0.160 61.390 61.300 -0.117 0.000 1.350 305 I CB 1.499 39.446 38.000 -0.088 0.000 1.409 305 I HN 0.771 nan 8.210 nan 0.000 0.507 306 T N 2.803 117.308 114.554 -0.082 0.000 3.040 306 T HA 0.103 4.456 4.350 0.006 0.000 0.252 306 T C 0.120 174.968 174.700 0.246 0.000 1.064 306 T CA -0.030 62.119 62.100 0.082 0.000 1.110 306 T CB 0.395 69.356 68.868 0.155 0.000 0.921 306 T HN 0.680 nan 8.240 nan 0.000 0.480 307 W N -0.901 120.413 121.300 0.024 0.000 3.173 307 W HA 0.602 5.265 4.660 0.005 0.000 0.313 307 W C -2.294 174.247 176.519 0.037 0.000 1.228 307 W CA -1.943 55.423 57.345 0.036 0.000 1.185 307 W CB 0.766 30.252 29.460 0.044 0.000 1.390 307 W HN 0.032 nan 8.180 nan 0.000 0.568 308 C N 3.398 122.859 119.300 0.268 0.000 2.832 308 C HA 0.316 4.779 4.460 0.006 0.000 0.383 308 C C 1.246 176.375 174.990 0.231 0.000 1.046 308 C CA -0.358 58.708 59.018 0.080 0.000 1.242 308 C CB 1.305 29.073 27.740 0.046 0.000 1.693 308 C HN 0.925 nan 8.230 nan 0.000 0.497 309 K N 4.472 125.019 120.400 0.245 0.000 2.001 309 K HA 0.031 4.354 4.320 0.006 0.000 0.208 309 K C -0.654 175.950 176.600 0.006 0.000 1.048 309 K CA 1.813 58.210 56.287 0.183 0.000 0.932 309 K CB -0.304 32.321 32.500 0.209 0.000 0.715 309 K HN 0.712 nan 8.250 nan 0.000 0.437 310 P HA -0.106 nan 4.420 nan 0.000 0.225 310 P C -0.517 176.365 177.300 -0.695 0.000 1.156 310 P CA 1.117 63.960 63.100 -0.428 0.000 0.787 310 P CB 0.174 31.552 31.700 -0.536 0.000 0.802 311 Y N -1.227 119.094 120.300 0.035 0.000 2.592 311 Y HA 0.342 4.896 4.550 0.006 0.000 0.354 311 Y C -1.872 174.053 175.900 0.042 0.000 1.063 311 Y CA -2.389 55.728 58.100 0.028 0.000 1.205 311 Y CB 0.939 39.405 38.460 0.010 0.000 1.106 311 Y HN -0.088 nan 8.280 nan 0.000 0.649 312 P HA -0.211 nan 4.420 nan 0.000 0.219 312 P C 1.448 178.822 177.300 0.124 0.000 1.146 312 P CA 1.544 64.725 63.100 0.134 0.000 0.808 312 P CB 0.402 32.164 31.700 0.103 0.000 0.779 313 E N 0.405 120.678 120.200 0.121 0.000 2.409 313 E HA -0.126 4.228 4.350 0.006 0.000 0.198 313 E C 1.492 178.137 176.600 0.075 0.000 1.024 313 E CA 0.822 57.276 56.400 0.090 0.000 0.861 313 E CB -1.090 28.659 29.700 0.081 0.000 0.788 313 E HN 0.325 nan 8.360 nan 0.000 0.521 314 L N 1.192 122.469 121.223 0.089 0.000 2.554 314 L HA 0.067 4.410 4.340 0.006 0.000 0.226 314 L C 0.835 177.730 176.870 0.042 0.000 1.137 314 L CA -0.116 54.754 54.840 0.050 0.000 0.863 314 L CB -0.173 41.914 42.059 0.045 0.000 0.985 314 L HN -0.117 nan 8.230 nan 0.000 0.451 315 S N 0.558 116.300 115.700 0.070 0.000 2.544 315 S HA 0.257 4.730 4.470 0.006 0.000 0.290 315 S C 1.256 175.887 174.600 0.052 0.000 1.276 315 S CA 0.707 58.952 58.200 0.075 0.000 1.075 315 S CB 0.757 64.029 63.200 0.120 0.000 0.849 315 S HN 0.615 nan 8.310 nan 0.000 0.494 316 G N 3.197 112.020 108.800 0.038 0.000 2.217 316 G HA2 -0.231 3.732 3.960 0.006 0.000 0.246 316 G HA3 -0.231 3.732 3.960 0.006 0.000 0.246 316 G C 0.172 175.076 174.900 0.007 0.000 0.990 316 G CA -0.224 44.892 45.100 0.027 0.000 0.627 316 G HN 0.630 nan 8.290 nan 0.000 0.522 317 R N 0.765 121.264 120.500 -0.001 0.000 2.615 317 R HA 0.418 4.762 4.340 0.006 0.000 0.270 317 R C -0.305 175.979 176.300 -0.026 0.000 1.081 317 R CA -0.100 55.992 56.100 -0.014 0.000 1.154 317 R CB 0.421 30.712 30.300 -0.016 0.000 1.063 317 R HN 0.331 nan 8.270 nan 0.000 0.519 318 D N 1.074 121.455 120.400 -0.031 0.000 2.312 318 D HA -0.007 4.636 4.640 0.006 0.000 0.252 318 D C 0.847 177.128 176.300 -0.032 0.000 1.150 318 D CA -0.291 53.687 54.000 -0.036 0.000 0.870 318 D CB 0.877 41.650 40.800 -0.045 0.000 1.153 318 D HN 0.260 nan 8.370 nan 0.000 0.457 319 L N 4.036 125.243 121.223 -0.027 0.000 2.141 319 L HA -0.011 4.332 4.340 0.006 0.000 0.209 319 L C 1.845 178.709 176.870 -0.011 0.000 1.094 319 L CA 1.625 56.453 54.840 -0.021 0.000 0.763 319 L CB -0.591 41.462 42.059 -0.010 0.000 0.908 319 L HN 0.610 nan 8.230 nan 0.000 0.437 320 E N 0.040 120.236 120.200 -0.007 0.000 2.077 320 E HA -0.273 4.080 4.350 0.006 0.000 0.193 320 E C 2.127 178.717 176.600 -0.016 0.000 0.989 320 E CA 1.753 58.150 56.400 -0.005 0.000 0.800 320 E CB -0.186 29.509 29.700 -0.008 0.000 0.746 320 E HN 0.621 nan 8.360 nan 0.000 0.452 321 E N -0.337 119.848 120.200 -0.025 0.000 2.051 321 E HA -0.156 4.197 4.350 0.006 0.000 0.192 321 E C 2.144 178.724 176.600 -0.033 0.000 0.991 321 E CA 1.314 57.697 56.400 -0.029 0.000 0.799 321 E CB -0.156 29.525 29.700 -0.031 0.000 0.748 321 E HN 0.359 nan 8.360 nan 0.000 0.449 322 I N 0.821 121.368 120.570 -0.038 0.000 2.163 322 I HA -0.301 3.872 4.170 0.006 0.000 0.243 322 I C 2.529 178.616 176.117 -0.050 0.000 1.085 322 I CA 1.173 62.441 61.300 -0.053 0.000 1.347 322 I CB -0.308 37.657 38.000 -0.059 0.000 1.044 322 I HN 0.158 nan 8.210 nan 0.000 0.408 323 A N 0.617 123.418 122.820 -0.032 0.000 1.873 323 A HA -0.139 4.185 4.320 0.006 0.000 0.215 323 A C 2.548 180.120 177.584 -0.019 0.000 1.186 323 A CA 1.806 53.831 52.037 -0.021 0.000 0.616 323 A CB -0.957 18.043 19.000 0.001 0.000 0.823 323 A HN 0.421 nan 8.150 nan 0.000 0.442 324 A N -0.154 122.656 122.820 -0.017 0.000 1.908 324 A HA -0.193 4.131 4.320 0.006 0.000 0.218 324 A C 1.874 179.445 177.584 -0.022 0.000 1.181 324 A CA 1.735 53.763 52.037 -0.016 0.000 0.627 324 A CB -0.566 18.424 19.000 -0.015 0.000 0.818 324 A HN 0.645 nan 8.150 nan 0.000 0.445 325 E N -0.853 119.329 120.200 -0.030 0.000 2.268 325 E HA -0.095 4.259 4.350 0.006 0.000 0.195 325 E C 1.856 178.432 176.600 -0.040 0.000 0.995 325 E CA 0.588 56.968 56.400 -0.035 0.000 0.836 325 E CB -0.060 29.616 29.700 -0.041 0.000 0.763 325 E HN 0.503 nan 8.360 nan 0.000 0.491 326 R N -0.527 119.946 120.500 -0.044 0.000 2.317 326 R HA 0.076 4.420 4.340 0.006 0.000 0.208 326 R C 0.792 177.076 176.300 -0.026 0.000 0.914 326 R CA 0.462 56.534 56.100 -0.046 0.000 1.060 326 R CB 0.595 30.858 30.300 -0.062 0.000 1.015 326 R HN 0.193 nan 8.270 nan 0.000 0.498 327 G N 1.587 110.376 108.800 -0.019 0.000 2.160 327 G HA2 -0.307 3.656 3.960 0.006 0.000 0.244 327 G HA3 -0.307 3.656 3.960 0.006 0.000 0.244 327 G C -0.233 174.666 174.900 -0.002 0.000 1.022 327 G CA 0.359 45.453 45.100 -0.010 0.000 0.741 327 G HN 0.278 nan 8.290 nan 0.000 0.508 328 K N -0.340 120.059 120.400 -0.000 0.000 2.444 328 K HA 0.676 5.000 4.320 0.006 0.000 0.252 328 K C 0.536 177.149 176.600 0.022 0.000 0.993 328 K CA -0.242 56.054 56.287 0.014 0.000 0.847 328 K CB 1.707 34.216 32.500 0.015 0.000 1.340 328 K HN 0.378 nan 8.250 nan 0.000 0.446 329 S N 0.084 115.810 115.700 0.043 0.000 2.624 329 S HA 0.159 4.633 4.470 0.006 0.000 0.263 329 S C 0.898 175.543 174.600 0.075 0.000 1.287 329 S CA -0.441 57.793 58.200 0.057 0.000 0.990 329 S CB 1.079 64.323 63.200 0.075 0.000 0.950 329 S HN 0.584 nan 8.310 nan 0.000 0.561 330 K N -0.174 120.276 120.400 0.083 0.000 2.032 330 K HA -0.173 4.150 4.320 0.006 0.000 0.209 330 K C 1.885 178.557 176.600 0.120 0.000 1.048 330 K CA 1.897 58.236 56.287 0.087 0.000 0.927 330 K CB -0.537 32.024 32.500 0.101 0.000 0.712 330 K HN 0.713 nan 8.250 nan 0.000 0.441 331 Y N 2.297 122.610 120.300 0.022 0.000 2.165 331 Y HA -0.262 4.291 4.550 0.005 0.000 0.286 331 Y C 1.633 177.541 175.900 0.012 0.000 1.155 331 Y CA 1.728 59.840 58.100 0.019 0.000 1.164 331 Y CB -0.002 38.464 38.460 0.011 0.000 0.978 331 Y HN 0.100 nan 8.280 nan 0.000 0.513 332 D N -1.077 119.447 120.400 0.207 0.000 2.277 332 D HA -0.118 4.525 4.640 0.006 0.000 0.208 332 D C 2.110 178.421 176.300 0.017 0.000 0.962 332 D CA 0.864 54.928 54.000 0.106 0.000 0.865 332 D CB -0.144 40.728 40.800 0.120 0.000 0.939 332 D HN 0.338 nan 8.370 nan 0.000 0.510 333 V N 0.276 120.198 119.914 0.013 0.000 3.306 333 V HA -0.093 4.030 4.120 0.006 0.000 0.264 333 V C 2.163 178.241 176.094 -0.027 0.000 1.149 333 V CA 0.529 62.823 62.300 -0.009 0.000 1.143 333 V CB 0.099 31.916 31.823 -0.011 0.000 0.767 333 V HN -0.042 nan 8.190 nan 0.000 0.476 334 V N 1.288 121.170 119.914 -0.054 0.000 2.287 334 V HA -0.157 3.967 4.120 0.006 0.000 0.248 334 V C 0.148 176.206 176.094 -0.060 0.000 1.053 334 V CA 2.781 65.040 62.300 -0.068 0.000 1.027 334 V CB -1.582 30.173 31.823 -0.113 0.000 0.646 334 V HN 0.525 nan 8.190 nan 0.000 0.447 335 P HA -0.206 nan 4.420 nan 0.000 0.216 335 P C 1.583 178.881 177.300 -0.003 0.000 1.153 335 P CA 1.703 64.776 63.100 -0.045 0.000 0.858 335 P CB -0.145 31.526 31.700 -0.049 0.000 0.789 336 E N -0.110 120.102 120.200 0.020 0.000 2.418 336 E HA -0.090 4.263 4.350 0.006 0.000 0.197 336 E C 1.372 178.067 176.600 0.159 0.000 1.026 336 E CA 0.746 57.194 56.400 0.080 0.000 0.862 336 E CB -0.774 28.974 29.700 0.080 0.000 0.799 336 E HN 0.282 nan 8.360 nan 0.000 0.518 337 L N 0.571 121.851 121.223 0.095 0.000 2.616 337 L HA 0.174 4.517 4.340 0.006 0.000 0.229 337 L C 0.968 177.853 176.870 0.025 0.000 1.110 337 L CA -0.156 54.758 54.840 0.123 0.000 0.884 337 L CB 0.060 42.146 42.059 0.045 0.000 1.115 337 L HN 0.048 nan 8.230 nan 0.000 0.481 338 Q N 1.883 121.678 119.800 -0.009 0.000 2.299 338 Q HA 0.254 4.597 4.340 0.006 0.000 0.246 338 Q C -2.101 173.889 176.000 -0.017 0.000 0.935 338 Q CA -1.806 53.970 55.803 -0.044 0.000 0.887 338 Q CB 0.818 29.531 28.738 -0.042 0.000 1.223 338 Q HN -0.033 nan 8.270 nan 0.000 0.439 339 P HA 0.374 nan 4.420 nan 0.000 0.282 339 P C -1.492 175.668 177.300 -0.233 0.000 1.249 339 P CA -0.145 62.943 63.100 -0.020 0.000 0.806 339 P CB 1.382 33.173 31.700 0.152 0.000 0.984 340 A N 1.407 123.845 122.820 -0.638 0.000 2.581 340 A HA 0.805 5.128 4.320 0.006 0.000 0.290 340 A C -0.771 175.941 177.584 -1.453 0.000 1.119 340 A CA -0.338 50.927 52.037 -1.287 0.000 0.670 340 A CB 1.257 19.917 19.000 -0.568 0.000 1.280 340 A HN 0.630 nan 8.150 nan 0.000 0.425 341 G N -1.399 106.400 108.800 -1.668 0.000 2.569 341 G HA2 0.906 4.869 3.960 0.006 0.000 0.300 341 G HA3 0.906 4.869 3.960 0.006 0.000 0.300 341 G C -0.558 174.061 174.900 -0.468 0.000 1.269 341 G CA 0.030 44.631 45.100 -0.832 0.000 0.959 341 G HN 2.067 nan 8.290 nan 0.000 0.478 342 A N -0.242 122.388 122.820 -0.317 0.000 2.609 342 A HA 0.793 5.116 4.320 0.006 0.000 0.291 342 A C -1.402 175.887 177.584 -0.491 0.000 1.096 342 A CA -0.604 51.154 52.037 -0.464 0.000 0.684 342 A CB 1.176 19.724 19.000 -0.752 0.000 1.282 342 A HN 0.679 nan 8.150 nan 0.000 0.412 343 I N 0.778 121.072 120.570 -0.459 0.000 2.404 343 I HA 0.436 4.609 4.170 0.006 0.000 0.293 343 I C -1.565 174.317 176.117 -0.392 0.000 0.992 343 I CA -0.398 60.720 61.300 -0.303 0.000 1.149 343 I CB 1.562 39.478 38.000 -0.140 0.000 1.315 343 I HN 0.599 nan 8.210 nan 0.000 0.446 344 Y N 5.620 125.877 120.300 -0.072 0.000 2.338 344 Y HA 0.380 4.933 4.550 0.005 0.000 0.328 344 Y C -0.473 175.360 175.900 -0.112 0.000 0.965 344 Y CA -0.729 57.365 58.100 -0.010 0.000 1.208 344 Y CB 0.924 39.407 38.460 0.038 0.000 1.132 344 Y HN 0.339 nan 8.280 nan 0.000 0.469 345 F N 5.264 125.283 119.950 0.115 0.000 2.567 345 F HA 0.148 4.677 4.527 0.005 0.000 0.352 345 F C 0.480 176.359 175.800 0.132 0.000 1.229 345 F CA -0.538 57.499 58.000 0.060 0.000 1.228 345 F CB 0.278 39.249 39.000 -0.050 0.000 1.568 345 F HN 0.499 nan 8.300 nan 0.000 0.634 346 M N -0.119 119.621 119.600 0.233 0.000 2.414 346 M HA 0.433 4.917 4.480 0.006 0.000 0.357 346 M C -0.635 175.855 176.300 0.317 0.000 1.059 346 M CA 0.164 55.615 55.300 0.253 0.000 0.959 346 M CB -0.061 32.631 32.600 0.154 0.000 1.522 346 M HN 0.147 nan 8.290 nan 0.000 0.551 347 M N -0.213 119.512 119.600 0.209 0.000 2.777 347 M HA 0.619 5.103 4.480 0.006 0.000 0.307 347 M C -1.252 174.881 176.300 -0.279 0.000 1.228 347 M CA -0.633 54.687 55.300 0.033 0.000 0.871 347 M CB 2.020 34.608 32.600 -0.019 0.000 1.721 347 M HN 0.033 nan 8.290 nan 0.000 0.487 348 D N -0.087 119.925 120.400 -0.646 0.000 2.505 348 D HA 0.199 4.843 4.640 0.006 0.000 0.249 348 D C 0.290 176.387 176.300 -0.338 0.000 1.082 348 D CA -0.204 53.349 54.000 -0.744 0.000 0.839 348 D CB 1.762 41.624 40.800 -1.563 0.000 1.317 348 D HN 0.609 nan 8.370 nan 0.000 0.497 349 E N 3.166 123.261 120.200 -0.176 0.000 2.114 349 E HA -0.132 4.222 4.350 0.006 0.000 0.199 349 E C -1.156 175.397 176.600 -0.080 0.000 1.008 349 E CA 1.869 58.232 56.400 -0.062 0.000 0.810 349 E CB -0.546 29.163 29.700 0.014 0.000 0.739 349 E HN 0.408 nan 8.360 nan 0.000 0.456 350 P HA -0.096 nan 4.420 nan 0.000 0.217 350 P C 0.596 177.834 177.300 -0.103 0.000 1.150 350 P CA 1.546 64.596 63.100 -0.085 0.000 0.832 350 P CB 0.002 31.657 31.700 -0.076 0.000 0.787 351 D N -0.891 119.420 120.400 -0.149 0.000 2.117 351 D HA -0.082 4.561 4.640 0.006 0.000 0.198 351 D C 2.042 178.250 176.300 -0.153 0.000 0.982 351 D CA 1.003 54.915 54.000 -0.148 0.000 0.828 351 D CB -0.541 40.151 40.800 -0.180 0.000 0.967 351 D HN -0.024 nan 8.370 nan 0.000 0.464 352 V N 1.405 121.224 119.914 -0.159 0.000 2.332 352 V HA -0.267 3.856 4.120 0.006 0.000 0.248 352 V C 2.535 178.517 176.094 -0.186 0.000 1.055 352 V CA 1.641 63.840 62.300 -0.169 0.000 1.038 352 V CB -0.527 31.224 31.823 -0.121 0.000 0.651 352 V HN 0.199 nan 8.190 nan 0.000 0.450 353 Q N -0.510 119.194 119.800 -0.159 0.000 2.084 353 Q HA -0.226 4.117 4.340 0.006 0.000 0.202 353 Q C 2.511 178.441 176.000 -0.117 0.000 0.978 353 Q CA 1.688 57.379 55.803 -0.185 0.000 0.844 353 Q CB -0.267 28.410 28.738 -0.103 0.000 0.898 353 Q HN 0.530 nan 8.270 nan 0.000 0.426 354 R N 0.719 121.175 120.500 -0.073 0.000 2.091 354 R HA -0.143 4.201 4.340 0.006 0.000 0.238 354 R C 2.110 178.425 176.300 0.024 0.000 1.136 354 R CA 1.248 57.336 56.100 -0.020 0.000 0.959 354 R CB -0.152 30.128 30.300 -0.033 0.000 0.856 354 R HN 0.240 nan 8.270 nan 0.000 0.437 355 I N 0.605 121.160 120.570 -0.025 0.000 2.252 355 I HA -0.274 3.900 4.170 0.006 0.000 0.245 355 I C 2.126 178.303 176.117 0.100 0.000 1.102 355 I CA 0.980 62.298 61.300 0.030 0.000 1.385 355 I CB -0.135 37.830 38.000 -0.058 0.000 1.064 355 I HN 0.220 nan 8.210 nan 0.000 0.414 356 L N 0.495 121.725 121.223 0.013 0.000 2.083 356 L HA -0.188 4.156 4.340 0.006 0.000 0.209 356 L C 2.731 179.773 176.870 0.288 0.000 1.083 356 L CA 1.374 56.263 54.840 0.082 0.000 0.752 356 L CB -0.636 41.380 42.059 -0.071 0.000 0.899 356 L HN 0.237 nan 8.230 nan 0.000 0.433 357 A N -0.472 122.476 122.820 0.214 0.000 2.016 357 A HA -0.120 4.203 4.320 0.006 0.000 0.217 357 A C 0.974 178.736 177.584 0.297 0.000 1.162 357 A CA -0.140 52.070 52.037 0.289 0.000 0.662 357 A CB -0.517 18.540 19.000 0.094 0.000 0.812 357 A HN 0.260 nan 8.150 nan 0.000 0.450 358 F N 1.721 121.737 119.950 0.109 0.000 2.612 358 F HA 0.297 4.823 4.527 -0.002 0.000 0.389 358 F C 1.480 177.357 175.800 0.130 0.000 1.055 358 F CA -0.106 57.952 58.000 0.096 0.000 1.232 358 F CB 0.192 39.238 39.000 0.077 0.000 1.044 358 F HN 0.110 nan 8.300 nan 0.000 0.560 359 G N 5.812 114.403 108.800 -0.349 0.000 2.631 359 G HA2 -0.279 3.685 3.960 0.006 0.000 0.219 359 G HA3 -0.279 3.685 3.960 0.006 0.000 0.219 359 G C -0.900 173.962 174.900 -0.064 0.000 1.214 359 G CA 0.929 45.919 45.100 -0.182 0.000 0.785 359 G HN 0.624 nan 8.290 nan 0.000 0.596 360 P HA 0.109 nan 4.420 nan 0.000 0.234 360 P C 0.452 177.730 177.300 -0.037 0.000 1.167 360 P CA 0.581 63.607 63.100 -0.123 0.000 0.763 360 P CB -0.024 31.571 31.700 -0.175 0.000 0.835 361 T N 1.602 116.192 114.554 0.060 0.000 2.817 361 T HA 0.171 4.524 4.350 0.006 0.000 0.295 361 T C 0.573 175.261 174.700 -0.021 0.000 0.958 361 T CA 0.364 62.525 62.100 0.102 0.000 1.157 361 T CB -0.134 68.850 68.868 0.194 0.000 0.898 361 T HN -0.036 nan 8.240 nan 0.000 0.536 362 M N 3.323 122.906 119.600 -0.030 0.000 2.368 362 M HA 0.431 4.914 4.480 0.006 0.000 0.311 362 M C -0.052 176.249 176.300 0.003 0.000 1.168 362 M CA -0.893 54.374 55.300 -0.056 0.000 1.044 362 M CB 0.759 33.365 32.600 0.010 0.000 1.506 362 M HN 0.269 nan 8.290 nan 0.000 0.475 363 I N 1.279 121.860 120.570 0.018 0.000 2.353 363 I HA 0.523 4.696 4.170 0.006 0.000 0.293 363 I C 0.418 176.613 176.117 0.130 0.000 0.992 363 I CA -0.261 61.045 61.300 0.010 0.000 1.268 363 I CB 0.464 38.419 38.000 -0.074 0.000 1.387 363 I HN 0.742 nan 8.210 nan 0.000 0.478 364 G N 2.794 111.645 108.800 0.085 0.000 2.662 364 G HA2 0.417 4.380 3.960 0.006 0.000 0.302 364 G HA3 0.417 4.380 3.960 0.006 0.000 0.302 364 G C 0.402 175.378 174.900 0.126 0.000 1.389 364 G CA -0.160 45.061 45.100 0.203 0.000 0.998 364 G HN 0.607 nan 8.290 nan 0.000 0.502 365 S N 1.087 116.866 115.700 0.132 0.000 2.414 365 S HA -0.016 4.457 4.470 0.006 0.000 0.227 365 S C 1.124 175.717 174.600 -0.012 0.000 1.022 365 S CA 1.232 59.445 58.200 0.022 0.000 0.958 365 S CB -0.084 63.152 63.200 0.060 0.000 0.797 365 S HN 0.783 nan 8.310 nan 0.000 0.493 366 D N 1.444 121.929 120.400 0.141 0.000 2.837 366 D HA -0.103 4.541 4.640 0.006 0.000 0.230 366 D C 0.275 176.584 176.300 0.016 0.000 1.152 366 D CA 0.980 55.101 54.000 0.201 0.000 0.736 366 D CB -1.621 39.197 40.800 0.029 0.000 1.084 366 D HN 0.689 nan 8.370 nan 0.000 0.429 367 G N 0.144 108.927 108.800 -0.028 0.000 2.441 367 G HA2 0.418 4.382 3.960 0.006 0.000 0.243 367 G HA3 0.418 4.382 3.960 0.006 0.000 0.243 367 G C 0.344 175.223 174.900 -0.034 0.000 1.281 367 G CA -0.448 44.587 45.100 -0.109 0.000 0.854 367 G HN 0.322 nan 8.290 nan 0.000 0.560 368 L N 4.384 125.573 121.223 -0.057 0.000 2.356 368 L HA 0.261 4.605 4.340 0.006 0.000 0.264 368 L C -1.353 175.447 176.870 -0.117 0.000 1.029 368 L CA -1.686 53.151 54.840 -0.004 0.000 0.897 368 L CB 2.391 44.488 42.059 0.063 0.000 1.256 368 L HN 0.472 nan 8.230 nan 0.000 0.444 369 P HA -0.107 nan 4.420 nan 0.000 0.233 369 P C 0.755 177.742 177.300 -0.522 0.000 1.167 369 P CA 1.156 63.870 63.100 -0.644 0.000 0.770 369 P CB 0.200 31.112 31.700 -1.313 0.000 0.837 370 H N -1.463 117.574 119.070 -0.055 0.000 2.553 370 H HA 0.147 4.706 4.556 0.006 0.000 0.265 370 H C 0.175 175.462 175.328 -0.070 0.000 0.964 370 H CA -0.299 55.743 56.048 -0.010 0.000 1.156 370 H CB -0.218 29.522 29.762 -0.036 0.000 1.411 370 H HN 0.084 nan 8.280 nan 0.000 0.558 371 D N 0.714 121.141 120.400 0.046 0.000 2.424 371 D HA -0.055 4.588 4.640 0.006 0.000 0.244 371 D C 1.485 177.860 176.300 0.125 0.000 1.134 371 D CA 0.152 54.221 54.000 0.115 0.000 0.881 371 D CB 1.148 42.078 40.800 0.216 0.000 1.191 371 D HN 0.273 nan 8.370 nan 0.000 0.445 372 E N 1.771 122.073 120.200 0.170 0.000 2.051 372 E HA -0.127 4.226 4.350 0.006 0.000 0.192 372 E C -0.032 176.645 176.600 0.128 0.000 0.991 372 E CA 1.269 57.755 56.400 0.144 0.000 0.799 372 E CB 0.365 30.170 29.700 0.174 0.000 0.748 372 E HN 0.119 nan 8.360 nan 0.000 0.449 373 R N 1.107 121.695 120.500 0.146 0.000 2.443 373 R HA 0.337 4.681 4.340 0.006 0.000 0.287 373 R C -2.443 173.926 176.300 0.116 0.000 1.425 373 R CA -2.237 53.926 56.100 0.106 0.000 1.300 373 R CB 0.947 31.299 30.300 0.088 0.000 1.129 373 R HN 0.269 nan 8.270 nan 0.000 0.577 374 P HA 0.051 nan 4.420 nan 0.000 0.276 374 P C -0.316 177.042 177.300 0.097 0.000 1.252 374 P CA -0.391 62.779 63.100 0.116 0.000 0.802 374 P CB 0.829 32.599 31.700 0.117 0.000 1.035 375 H N 3.143 122.192 119.070 -0.035 0.000 2.886 375 H HA 0.051 4.610 4.556 0.005 0.000 0.329 375 H C -1.289 173.882 175.328 -0.262 0.000 1.044 375 H CA -1.423 54.541 56.048 -0.139 0.000 1.456 375 H CB 0.571 30.213 29.762 -0.200 0.000 1.464 375 H HN 0.241 nan 8.280 nan 0.000 0.573 376 P HA -0.171 nan 4.420 nan 0.000 0.223 376 P C 1.142 178.344 177.300 -0.163 0.000 1.144 376 P CA 0.987 63.957 63.100 -0.216 0.000 0.783 376 P CB 0.012 31.434 31.700 -0.462 0.000 0.771 377 R N 0.071 120.349 120.500 -0.370 0.000 2.159 377 R HA -0.121 4.223 4.340 0.006 0.000 0.237 377 R C 2.123 178.337 176.300 -0.144 0.000 1.131 377 R CA 0.997 56.832 56.100 -0.442 0.000 0.982 377 R CB -1.661 28.136 30.300 -0.840 0.000 0.868 377 R HN 0.153 nan 8.270 nan 0.000 0.453 378 L N -0.107 121.047 121.223 -0.115 0.000 2.127 378 L HA -0.078 4.266 4.340 0.006 0.000 0.211 378 L C 1.033 177.784 176.870 -0.198 0.000 1.089 378 L CA 1.659 56.409 54.840 -0.149 0.000 0.757 378 L CB -0.253 41.742 42.059 -0.107 0.000 0.899 378 L HN 0.246 nan 8.230 nan 0.000 0.434 379 W N -2.154 119.103 121.300 -0.071 0.000 2.975 379 W HA 0.416 5.079 4.660 0.005 0.000 0.316 379 W C 1.897 178.426 176.519 0.018 0.000 1.131 379 W CA 0.313 57.636 57.345 -0.037 0.000 1.624 379 W CB 0.252 29.683 29.460 -0.048 0.000 1.038 379 W HN 0.116 nan 8.180 nan 0.000 0.571 380 G N -1.276 107.673 108.800 0.248 0.000 3.342 380 G HA2 0.019 3.983 3.960 0.006 0.000 0.252 380 G HA3 0.019 3.983 3.960 0.006 0.000 0.252 380 G C 1.194 176.214 174.900 0.201 0.000 1.011 380 G CA 0.496 45.737 45.100 0.234 0.000 0.869 380 G HN -0.068 nan 8.290 nan 0.000 0.514 381 T N 1.420 116.063 114.554 0.149 0.000 2.597 381 T HA -0.179 4.174 4.350 0.006 0.000 0.267 381 T C 1.927 176.441 174.700 -0.311 0.000 1.053 381 T CA 1.576 63.633 62.100 -0.071 0.000 1.165 381 T CB -0.340 68.319 68.868 -0.348 0.000 0.863 381 T HN 0.235 nan 8.240 nan 0.000 0.427 382 F N 0.984 120.947 119.950 0.022 0.000 2.113 382 F HA 0.084 4.615 4.527 0.006 0.000 0.297 382 F C -0.544 175.177 175.800 -0.131 0.000 1.103 382 F CA 0.491 58.419 58.000 -0.120 0.000 1.248 382 F CB -1.697 37.210 39.000 -0.155 0.000 0.999 382 F HN 0.204 nan 8.300 nan 0.000 0.475 383 P HA -0.126 nan 4.420 nan 0.000 0.221 383 P C 1.409 178.736 177.300 0.045 0.000 1.150 383 P CA 1.308 64.438 63.100 0.048 0.000 0.800 383 P CB -0.093 31.670 31.700 0.104 0.000 0.787 384 R N -0.134 120.391 120.500 0.043 0.000 2.096 384 R HA -0.094 4.249 4.340 0.006 0.000 0.235 384 R C 1.748 178.146 176.300 0.164 0.000 1.127 384 R CA 1.309 57.439 56.100 0.049 0.000 0.968 384 R CB -0.726 29.543 30.300 -0.051 0.000 0.861 384 R HN 0.013 nan 8.270 nan 0.000 0.440 385 V N 0.949 120.939 119.914 0.126 0.000 2.379 385 V HA -0.198 3.925 4.120 0.006 0.000 0.245 385 V C 2.213 178.439 176.094 0.220 0.000 1.044 385 V CA 1.519 63.958 62.300 0.232 0.000 1.036 385 V CB -0.268 31.578 31.823 0.038 0.000 0.664 385 V HN 0.326 nan 8.190 nan 0.000 0.453 386 L N -0.158 121.095 121.223 0.050 0.000 2.156 386 L HA 0.055 4.398 4.340 0.006 0.000 0.208 386 L C 2.326 179.261 176.870 0.110 0.000 1.095 386 L CA 1.495 56.355 54.840 0.033 0.000 0.770 386 L CB -0.833 41.115 42.059 -0.185 0.000 0.914 386 L HN 0.454 nan 8.230 nan 0.000 0.439 387 G N -1.466 107.393 108.800 0.099 0.000 2.726 387 G HA2 -0.180 3.784 3.960 0.006 0.000 0.221 387 G HA3 -0.180 3.784 3.960 0.006 0.000 0.221 387 G C 1.259 176.209 174.900 0.084 0.000 1.327 387 G CA 0.420 45.584 45.100 0.106 0.000 0.884 387 G HN 0.253 nan 8.290 nan 0.000 0.581 388 H N -0.397 118.637 119.070 -0.061 0.000 2.289 388 H HA -0.095 4.466 4.556 0.008 0.000 0.296 388 H C 2.258 177.432 175.328 -0.257 0.000 1.091 388 H CA 2.047 57.971 56.048 -0.206 0.000 1.274 388 H CB -0.260 29.282 29.762 -0.366 0.000 1.364 388 H HN 0.379 nan 8.280 nan 0.000 0.490 389 Y N -0.877 119.371 120.300 -0.086 0.000 2.206 389 Y HA -0.054 4.498 4.550 0.003 0.000 0.292 389 Y C 3.209 179.009 175.900 -0.167 0.000 1.123 389 Y CA 1.328 59.301 58.100 -0.211 0.000 1.142 389 Y CB -0.702 37.699 38.460 -0.099 0.000 1.006 389 Y HN 0.254 nan 8.280 nan 0.000 0.518 390 S N -0.183 115.655 115.700 0.229 0.000 2.336 390 S HA -0.140 4.333 4.470 0.006 0.000 0.216 390 S C 2.284 176.951 174.600 0.111 0.000 1.032 390 S CA 1.174 59.524 58.200 0.251 0.000 0.973 390 S CB -0.211 63.226 63.200 0.395 0.000 0.888 390 S HN 0.382 nan 8.310 nan 0.000 0.455 391 R N 0.313 120.874 120.500 0.101 0.000 2.057 391 R HA -0.060 4.283 4.340 0.006 0.000 0.229 391 R C 1.564 177.869 176.300 0.008 0.000 1.136 391 R CA 1.975 58.117 56.100 0.070 0.000 0.952 391 R CB -0.440 29.917 30.300 0.095 0.000 0.848 391 R HN 0.390 nan 8.270 nan 0.000 0.430 392 D N 0.260 120.634 120.400 -0.043 0.000 2.162 392 D HA -0.066 4.577 4.640 0.006 0.000 0.203 392 D C 1.820 178.033 176.300 -0.146 0.000 0.967 392 D CA 0.953 54.901 54.000 -0.086 0.000 0.840 392 D CB 0.148 40.897 40.800 -0.086 0.000 0.972 392 D HN 0.292 nan 8.370 nan 0.000 0.482 393 L N -0.486 120.599 121.223 -0.230 0.000 2.554 393 L HA 0.225 4.568 4.340 0.006 0.000 0.225 393 L C 1.137 177.928 176.870 -0.133 0.000 1.104 393 L CA 0.237 54.951 54.840 -0.210 0.000 0.866 393 L CB 0.206 42.081 42.059 -0.306 0.000 1.047 393 L HN 0.062 nan 8.230 nan 0.000 0.468 394 G N 1.103 109.843 108.800 -0.101 0.000 2.221 394 G HA2 -0.314 3.650 3.960 0.006 0.000 0.265 394 G HA3 -0.314 3.650 3.960 0.006 0.000 0.265 394 G C 0.710 175.531 174.900 -0.132 0.000 1.041 394 G CA 0.541 45.601 45.100 -0.067 0.000 0.807 394 G HN 0.277 nan 8.290 nan 0.000 0.502 395 L N -0.826 120.222 121.223 -0.291 0.000 2.201 395 L HA 0.423 4.766 4.340 0.006 0.000 0.212 395 L C 0.844 177.389 176.870 -0.543 0.000 1.105 395 L CA 1.879 56.399 54.840 -0.533 0.000 0.775 395 L CB -0.206 41.318 42.059 -0.892 0.000 0.913 395 L HN 0.607 nan 8.230 nan 0.000 0.440 396 F N -3.585 116.391 119.950 0.044 0.000 2.719 396 F HA 0.621 5.152 4.527 0.006 0.000 0.309 396 F C -2.790 173.040 175.800 0.050 0.000 1.138 396 F CA -3.242 54.784 58.000 0.043 0.000 0.943 396 F CB -0.501 38.532 39.000 0.055 0.000 1.304 396 F HN -0.368 nan 8.300 nan 0.000 0.445 397 P HA 0.126 nan 4.420 nan 0.000 0.274 397 P C 0.835 178.261 177.300 0.210 0.000 1.246 397 P CA -0.313 62.903 63.100 0.193 0.000 0.795 397 P CB 1.312 33.081 31.700 0.115 0.000 1.006 398 L N 1.667 122.999 121.223 0.182 0.000 2.079 398 L HA -0.207 4.136 4.340 0.006 0.000 0.210 398 L C 2.272 179.241 176.870 0.165 0.000 1.081 398 L CA 1.986 56.943 54.840 0.195 0.000 0.752 398 L CB -1.251 40.936 42.059 0.214 0.000 0.896 398 L HN 0.465 nan 8.230 nan 0.000 0.433 399 E N -2.042 118.237 120.200 0.132 0.000 2.204 399 E HA -0.178 4.176 4.350 0.006 0.000 0.194 399 E C 1.744 178.415 176.600 0.119 0.000 0.989 399 E CA 1.681 58.154 56.400 0.121 0.000 0.824 399 E CB -0.914 28.830 29.700 0.073 0.000 0.756 399 E HN 0.479 nan 8.360 nan 0.000 0.477 400 T N 1.344 115.945 114.554 0.079 0.000 2.851 400 T HA 0.106 4.459 4.350 0.006 0.000 0.262 400 T C 2.037 176.718 174.700 -0.031 0.000 1.043 400 T CA 1.418 63.560 62.100 0.071 0.000 1.140 400 T CB -0.220 68.674 68.868 0.043 0.000 0.872 400 T HN 0.402 nan 8.240 nan 0.000 0.446 401 A N 1.128 123.826 122.820 -0.204 0.000 1.908 401 A HA -0.067 4.257 4.320 0.006 0.000 0.218 401 A C 2.554 180.044 177.584 -0.157 0.000 1.181 401 A CA 1.390 53.181 52.037 -0.410 0.000 0.627 401 A CB -1.073 17.807 19.000 -0.200 0.000 0.818 401 A HN 0.343 nan 8.150 nan 0.000 0.445 402 V N -2.061 117.864 119.914 0.017 0.000 2.358 402 V HA -0.249 3.875 4.120 0.006 0.000 0.246 402 V C 2.181 178.355 176.094 0.133 0.000 1.047 402 V CA 1.868 64.221 62.300 0.090 0.000 1.035 402 V CB -0.929 31.042 31.823 0.248 0.000 0.658 402 V HN 0.885 nan 8.190 nan 0.000 0.452 403 W N 1.517 122.803 121.300 -0.024 0.000 2.338 403 W HA -0.210 4.454 4.660 0.006 0.000 0.304 403 W C 2.270 178.772 176.519 -0.028 0.000 1.212 403 W CA 1.733 59.072 57.345 -0.011 0.000 1.264 403 W CB -0.156 29.287 29.460 -0.028 0.000 1.142 403 W HN 0.093 nan 8.180 nan 0.000 0.512 404 K N -0.097 120.217 120.400 -0.142 0.000 2.442 404 K HA -0.112 4.212 4.320 0.006 0.000 0.198 404 K C 1.561 178.023 176.600 -0.230 0.000 1.042 404 K CA 1.413 57.487 56.287 -0.355 0.000 0.958 404 K CB -0.358 31.986 32.500 -0.260 0.000 0.766 404 K HN 0.428 nan 8.250 nan 0.000 0.474 405 M N -2.543 116.979 119.600 -0.129 0.000 2.416 405 M HA 0.192 4.675 4.480 0.006 0.000 0.337 405 M C 0.622 176.940 176.300 0.030 0.000 1.074 405 M CA -0.163 55.131 55.300 -0.010 0.000 0.968 405 M CB 0.781 33.387 32.600 0.009 0.000 1.472 405 M HN -0.074 nan 8.290 nan 0.000 0.539 406 T N -3.563 110.983 114.554 -0.013 0.000 3.359 406 T HA 0.369 4.722 4.350 0.006 0.000 0.160 406 T C 1.676 176.377 174.700 0.001 0.000 0.924 406 T CA 0.681 62.820 62.100 0.064 0.000 0.951 406 T CB -0.711 68.263 68.868 0.177 0.000 1.404 406 T HN 0.174 nan 8.240 nan 0.000 0.309 407 G N 1.521 110.327 108.800 0.010 0.000 2.422 407 G HA2 -0.030 3.933 3.960 0.006 0.000 0.218 407 G HA3 -0.030 3.933 3.960 0.006 0.000 0.218 407 G C 1.525 176.339 174.900 -0.142 0.000 1.146 407 G CA 1.208 46.336 45.100 0.045 0.000 0.769 407 G HN 0.477 nan 8.290 nan 0.000 0.547 408 L N 1.067 121.896 121.223 -0.656 0.000 1.994 408 L HA -0.021 4.322 4.340 0.006 0.000 0.208 408 L C 2.870 179.570 176.870 -0.283 0.000 1.071 408 L CA 2.785 57.192 54.840 -0.721 0.000 0.745 408 L CB -1.097 40.071 42.059 -1.486 0.000 0.892 408 L HN 0.182 nan 8.230 nan 0.000 0.431 409 T N 0.072 114.512 114.554 -0.190 0.000 2.746 409 T HA -0.127 4.226 4.350 0.006 0.000 0.267 409 T C 1.922 176.713 174.700 0.152 0.000 1.039 409 T CA 1.333 63.463 62.100 0.050 0.000 1.142 409 T CB -0.652 68.261 68.868 0.074 0.000 0.866 409 T HN 0.526 nan 8.240 nan 0.000 0.444 410 A N 1.451 124.322 122.820 0.085 0.000 1.933 410 A HA 0.166 4.490 4.320 0.006 0.000 0.218 410 A C 2.635 180.283 177.584 0.107 0.000 1.175 410 A CA 1.783 53.890 52.037 0.117 0.000 0.628 410 A CB -1.044 18.025 19.000 0.115 0.000 0.814 410 A HN 0.513 nan 8.150 nan 0.000 0.444 411 A N -0.337 122.522 122.820 0.065 0.000 1.898 411 A HA -0.102 4.221 4.320 0.006 0.000 0.216 411 A C 2.041 179.628 177.584 0.005 0.000 1.181 411 A CA 1.685 53.753 52.037 0.051 0.000 0.620 411 A CB -0.291 18.743 19.000 0.056 0.000 0.819 411 A HN 0.324 nan 8.150 nan 0.000 0.442 412 K N -0.893 119.477 120.400 -0.051 0.000 2.155 412 K HA 0.012 4.336 4.320 0.006 0.000 0.203 412 K C 1.061 177.473 176.600 -0.313 0.000 1.052 412 K CA 0.941 57.109 56.287 -0.198 0.000 0.948 412 K CB -0.474 31.844 32.500 -0.303 0.000 0.728 412 K HN 0.566 nan 8.250 nan 0.000 0.448 413 F N 0.246 120.193 119.950 -0.005 0.000 2.765 413 F HA 0.204 4.734 4.527 0.005 0.000 0.302 413 F C 1.146 176.950 175.800 0.007 0.000 1.111 413 F CA 0.331 58.331 58.000 0.000 0.000 1.359 413 F CB 0.112 39.107 39.000 -0.008 0.000 1.097 413 F HN 0.170 nan 8.300 nan 0.000 0.577 414 G N 1.493 110.363 108.800 0.118 0.000 2.246 414 G HA2 -0.295 3.669 3.960 0.006 0.000 0.273 414 G HA3 -0.295 3.669 3.960 0.006 0.000 0.273 414 G C -0.048 174.904 174.900 0.087 0.000 1.055 414 G CA -0.269 44.882 45.100 0.084 0.000 0.851 414 G HN 0.307 nan 8.290 nan 0.000 0.500 415 L N 0.718 122.000 121.223 0.099 0.000 2.328 415 L HA 0.590 4.934 4.340 0.006 0.000 0.280 415 L C 1.197 178.094 176.870 0.045 0.000 1.111 415 L CA -0.259 54.621 54.840 0.066 0.000 0.909 415 L CB 0.686 42.782 42.059 0.063 0.000 1.277 415 L HN 0.400 nan 8.230 nan 0.000 0.433 416 A N 2.735 125.570 122.820 0.024 0.000 2.498 416 A HA 0.172 4.495 4.320 0.006 0.000 0.239 416 A C 0.982 178.512 177.584 -0.090 0.000 1.068 416 A CA 0.029 52.047 52.037 -0.032 0.000 0.766 416 A CB -0.071 18.915 19.000 -0.024 0.000 1.003 416 A HN 0.910 nan 8.150 nan 0.000 0.497 417 E N -0.478 119.479 120.200 -0.404 0.000 2.722 417 E HA -0.224 4.129 4.350 0.006 0.000 0.265 417 E C -0.064 176.366 176.600 -0.284 0.000 1.081 417 E CA 1.248 57.097 56.400 -0.918 0.000 0.781 417 E CB -1.214 28.111 29.700 -0.626 0.000 1.372 417 E HN 0.750 nan 8.360 nan 0.000 0.423 418 R N -1.342 119.165 120.500 0.012 0.000 2.888 418 R HA 0.554 4.898 4.340 0.006 0.000 0.264 418 R C 0.924 177.383 176.300 0.265 0.000 1.045 418 R CA -0.323 55.903 56.100 0.210 0.000 0.962 418 R CB 1.625 32.001 30.300 0.128 0.000 1.210 418 R HN 0.129 nan 8.270 nan 0.000 0.479 419 G N 0.410 109.346 108.800 0.227 0.000 2.176 419 G HA2 -0.276 3.687 3.960 0.006 0.000 0.253 419 G HA3 -0.276 3.687 3.960 0.006 0.000 0.253 419 G C -0.177 174.844 174.900 0.201 0.000 0.979 419 G CA 0.084 45.299 45.100 0.191 0.000 0.641 419 G HN 0.444 nan 8.290 nan 0.000 0.530 420 Q N -1.084 118.851 119.800 0.225 0.000 2.379 420 Q HA 0.554 4.897 4.340 0.006 0.000 0.278 420 Q C -0.727 175.267 176.000 -0.009 0.000 1.068 420 Q CA -0.957 54.886 55.803 0.067 0.000 0.816 420 Q CB 2.990 31.665 28.738 -0.104 0.000 1.387 420 Q HN 0.173 nan 8.270 nan 0.000 0.413 421 V N 3.185 123.077 119.914 -0.036 0.000 2.299 421 V HA 0.205 4.329 4.120 0.006 0.000 0.255 421 V C -0.429 175.573 176.094 -0.153 0.000 1.100 421 V CA -0.065 62.201 62.300 -0.057 0.000 0.938 421 V CB 0.135 31.948 31.823 -0.017 0.000 1.139 421 V HN 0.551 nan 8.190 nan 0.000 0.490 422 Q N 4.515 124.164 119.800 -0.251 0.000 2.359 422 Q HA 0.463 4.806 4.340 0.006 0.000 0.274 422 Q C -2.845 173.040 176.000 -0.192 0.000 1.074 422 Q CA -2.279 53.327 55.803 -0.327 0.000 0.810 422 Q CB 2.775 31.058 28.738 -0.760 0.000 1.342 422 Q HN 0.255 nan 8.270 nan 0.000 0.427 423 P HA 0.102 nan 4.420 nan 0.000 0.265 423 P C 0.697 177.993 177.300 -0.007 0.000 1.193 423 P CA 1.188 64.238 63.100 -0.083 0.000 0.765 423 P CB 0.477 32.134 31.700 -0.072 0.000 0.823 424 G N 0.986 109.779 108.800 -0.011 0.000 2.234 424 G HA2 -0.253 3.710 3.960 0.006 0.000 0.235 424 G HA3 -0.253 3.710 3.960 0.006 0.000 0.235 424 G C -0.068 174.849 174.900 0.027 0.000 0.997 424 G CA -0.393 44.712 45.100 0.008 0.000 0.623 424 G HN 0.385 nan 8.290 nan 0.000 0.514 425 Y N 0.276 120.479 120.300 -0.162 0.000 2.298 425 Y HA 0.627 5.180 4.550 0.006 0.000 0.329 425 Y C 1.082 176.869 175.900 -0.189 0.000 1.293 425 Y CA -1.464 56.539 58.100 -0.163 0.000 1.388 425 Y CB 0.099 38.532 38.460 -0.044 0.000 1.309 425 Y HN 0.176 nan 8.280 nan 0.000 0.544 426 Y N -0.128 120.219 120.300 0.078 0.000 2.480 426 Y HA 0.282 4.835 4.550 0.005 0.000 0.338 426 Y C 0.639 176.575 175.900 0.059 0.000 1.220 426 Y CA -0.298 57.825 58.100 0.040 0.000 1.430 426 Y CB 0.412 38.879 38.460 0.012 0.000 1.311 426 Y HN 0.601 nan 8.280 nan 0.000 0.575 427 A N 3.049 125.992 122.820 0.205 0.000 3.077 427 A HA 0.164 4.488 4.320 0.006 0.000 0.255 427 A C -0.723 176.959 177.584 0.163 0.000 1.728 427 A CA -0.527 51.582 52.037 0.120 0.000 1.383 427 A CB -1.106 17.919 19.000 0.043 0.000 1.097 427 A HN 0.583 nan 8.150 nan 0.000 0.634 428 D N 1.109 121.604 120.400 0.160 0.000 2.359 428 D HA 0.587 5.230 4.640 0.006 0.000 0.230 428 D C -0.324 176.043 176.300 0.112 0.000 1.118 428 D CA 0.474 54.550 54.000 0.127 0.000 0.844 428 D CB 1.203 42.054 40.800 0.084 0.000 1.059 428 D HN 0.364 nan 8.370 nan 0.000 0.493 429 L N 1.170 122.480 121.223 0.145 0.000 2.424 429 L HA 0.593 4.936 4.340 0.006 0.000 0.258 429 L C -0.767 176.189 176.870 0.143 0.000 0.995 429 L CA -1.121 53.800 54.840 0.135 0.000 0.821 429 L CB 2.457 44.599 42.059 0.139 0.000 1.383 429 L HN -0.045 nan 8.230 nan 0.000 0.410 430 V N 1.795 121.753 119.914 0.074 0.000 2.656 430 V HA 0.514 4.637 4.120 0.006 0.000 0.307 430 V C -0.535 175.694 176.094 0.225 0.000 1.051 430 V CA -0.729 61.615 62.300 0.073 0.000 0.893 430 V CB 2.451 34.139 31.823 -0.225 0.000 0.999 430 V HN 0.402 nan 8.190 nan 0.000 0.426 431 V N 5.678 125.765 119.914 0.288 0.000 2.357 431 V HA 0.614 4.737 4.120 0.006 0.000 0.284 431 V C -0.534 175.760 176.094 0.333 0.000 1.018 431 V CA -0.378 62.060 62.300 0.231 0.000 0.841 431 V CB 0.845 32.815 31.823 0.244 0.000 0.991 431 V HN 0.786 nan 8.190 nan 0.000 0.437 432 F N 1.533 121.584 119.950 0.168 0.000 2.613 432 F HA 0.727 5.256 4.527 0.004 0.000 0.314 432 F C -0.649 175.243 175.800 0.154 0.000 1.075 432 F CA -1.243 56.874 58.000 0.195 0.000 0.945 432 F CB 1.608 40.753 39.000 0.242 0.000 1.310 432 F HN 0.357 nan 8.300 nan 0.000 0.467 433 D N 3.908 124.518 120.400 0.349 0.000 2.347 433 D HA 0.278 4.921 4.640 0.006 0.000 0.235 433 D C -1.669 174.827 176.300 0.326 0.000 1.149 433 D CA -2.497 51.623 54.000 0.200 0.000 0.850 433 D CB 1.823 42.736 40.800 0.188 0.000 1.061 433 D HN 0.338 nan 8.370 nan 0.000 0.487 434 P HA -0.132 nan 4.420 nan 0.000 0.219 434 P C 0.952 178.395 177.300 0.238 0.000 1.146 434 P CA 0.734 64.030 63.100 0.328 0.000 0.808 434 P CB 0.312 32.118 31.700 0.178 0.000 0.779 435 A N 0.006 122.923 122.820 0.163 0.000 2.016 435 A HA -0.043 4.280 4.320 0.006 0.000 0.217 435 A C 2.026 179.689 177.584 0.132 0.000 1.162 435 A CA 2.036 54.149 52.037 0.126 0.000 0.662 435 A CB -1.303 17.751 19.000 0.091 0.000 0.812 435 A HN 0.396 nan 8.150 nan 0.000 0.450 436 T N -4.274 110.376 114.554 0.160 0.000 3.003 436 T HA 0.296 4.649 4.350 0.006 0.000 0.261 436 T C 0.412 175.214 174.700 0.169 0.000 1.003 436 T CA 0.338 62.526 62.100 0.147 0.000 0.917 436 T CB -0.577 68.373 68.868 0.137 0.000 1.084 436 T HN 0.209 nan 8.240 nan 0.000 0.522 437 V N 2.465 122.511 119.914 0.220 0.000 2.617 437 V HA 0.549 4.672 4.120 0.006 0.000 0.304 437 V C 0.021 176.198 176.094 0.138 0.000 1.040 437 V CA 0.620 63.041 62.300 0.202 0.000 1.149 437 V CB -0.239 31.717 31.823 0.222 0.000 0.914 437 V HN 0.878 nan 8.190 nan 0.000 0.487 438 A N 5.357 128.251 122.820 0.123 0.000 2.594 438 A HA 0.565 4.888 4.320 0.006 0.000 0.296 438 A C -0.954 176.686 177.584 0.094 0.000 1.056 438 A CA -0.452 51.643 52.037 0.097 0.000 0.693 438 A CB 1.199 20.252 19.000 0.088 0.000 1.278 438 A HN 0.946 nan 8.150 nan 0.000 0.408 439 D N 1.526 121.971 120.400 0.074 0.000 2.348 439 D HA 0.305 4.948 4.640 0.006 0.000 0.253 439 D C 0.386 176.726 176.300 0.066 0.000 1.161 439 D CA 0.161 54.212 54.000 0.085 0.000 0.876 439 D CB 1.505 42.352 40.800 0.078 0.000 1.160 439 D HN 0.167 nan 8.370 nan 0.000 0.459 440 S N 1.044 116.791 115.700 0.079 0.000 2.483 440 S HA 0.206 4.679 4.470 0.006 0.000 0.221 440 S C 1.023 175.645 174.600 0.036 0.000 1.030 440 S CA -0.109 58.123 58.200 0.053 0.000 0.925 440 S CB 0.243 63.474 63.200 0.051 0.000 0.795 440 S HN 0.792 nan 8.310 nan 0.000 0.511 441 A N 2.781 125.628 122.820 0.045 0.000 2.488 441 A HA 0.484 4.807 4.320 0.006 0.000 0.249 441 A C 0.707 178.274 177.584 -0.029 0.000 1.083 441 A CA -0.018 52.021 52.037 0.003 0.000 0.768 441 A CB -0.066 18.958 19.000 0.041 0.000 1.017 441 A HN 0.389 nan 8.150 nan 0.000 0.496 442 T N -1.140 113.378 114.554 -0.060 0.000 2.888 442 T HA 0.599 4.952 4.350 0.006 0.000 0.288 442 T C 0.498 175.075 174.700 -0.206 0.000 1.063 442 T CA -0.441 61.595 62.100 -0.107 0.000 1.010 442 T CB 0.504 69.374 68.868 0.003 0.000 1.214 442 T HN 0.249 nan 8.240 nan 0.000 0.533 443 F N 0.385 120.326 119.950 -0.015 0.000 2.171 443 F HA 0.064 4.594 4.527 0.004 0.000 0.300 443 F C 2.661 178.408 175.800 -0.089 0.000 1.090 443 F CA 1.612 59.583 58.000 -0.049 0.000 1.293 443 F CB -0.305 38.715 39.000 0.033 0.000 1.013 443 F HN 0.825 nan 8.300 nan 0.000 0.486 444 E N -0.452 119.745 120.200 -0.006 0.000 2.072 444 E HA -0.166 4.188 4.350 0.006 0.000 0.191 444 E C -0.078 176.277 176.600 -0.408 0.000 0.985 444 E CA 1.056 57.311 56.400 -0.242 0.000 0.801 444 E CB -0.058 29.415 29.700 -0.379 0.000 0.750 444 E HN 0.486 nan 8.360 nan 0.000 0.452 445 H N -0.149 118.906 119.070 -0.026 0.000 2.569 445 H HA 0.184 4.743 4.556 0.005 0.000 0.247 445 H C -2.053 173.200 175.328 -0.124 0.000 1.346 445 H CA -1.740 54.264 56.048 -0.074 0.000 1.502 445 H CB 1.569 31.288 29.762 -0.071 0.000 1.512 445 H HN 0.162 nan 8.280 nan 0.000 0.502 446 P HA -0.059 nan 4.420 nan 0.000 0.249 446 P C 0.909 178.073 177.300 -0.226 0.000 1.229 446 P CA 0.646 63.680 63.100 -0.109 0.000 0.788 446 P CB 0.335 31.993 31.700 -0.069 0.000 1.072 447 T N -4.442 109.845 114.554 -0.445 0.000 3.182 447 T HA 0.187 4.541 4.350 0.006 0.000 0.277 447 T C 0.386 174.418 174.700 -1.114 0.000 1.013 447 T CA -0.368 60.996 62.100 -1.226 0.000 0.900 447 T CB -0.240 68.055 68.868 -0.955 0.000 1.098 447 T HN -0.170 nan 8.240 nan 0.000 0.543 448 E N 2.271 122.177 120.200 -0.491 0.000 2.360 448 E HA 0.319 4.672 4.350 0.006 0.000 0.269 448 E C -0.014 176.489 176.600 -0.161 0.000 1.022 448 E CA -0.283 55.944 56.400 -0.289 0.000 0.887 448 E CB 0.658 30.288 29.700 -0.116 0.000 0.990 448 E HN 0.250 nan 8.360 nan 0.000 0.426 449 R N 0.864 121.329 120.500 -0.059 0.000 2.491 449 R HA 0.261 4.605 4.340 0.006 0.000 0.283 449 R C 0.113 176.512 176.300 0.165 0.000 1.072 449 R CA -0.105 56.093 56.100 0.164 0.000 1.048 449 R CB 0.332 30.783 30.300 0.252 0.000 0.983 449 R HN 0.573 nan 8.270 nan 0.000 0.450 450 A N 2.076 125.013 122.820 0.195 0.000 2.466 450 A HA 0.469 4.793 4.320 0.006 0.000 0.238 450 A C 0.075 177.765 177.584 0.176 0.000 1.074 450 A CA 0.177 52.313 52.037 0.165 0.000 0.774 450 A CB 0.088 19.183 19.000 0.158 0.000 1.015 450 A HN 0.775 nan 8.150 nan 0.000 0.498 451 A N 0.283 123.195 122.820 0.154 0.000 2.279 451 A HA 0.620 4.943 4.320 0.006 0.000 0.303 451 A C 1.387 179.087 177.584 0.193 0.000 1.108 451 A CA 0.285 52.419 52.037 0.162 0.000 0.830 451 A CB 0.017 19.094 19.000 0.128 0.000 1.106 451 A HN 2.751 nan 8.150 nan 0.000 0.493 452 G N -0.273 108.656 108.800 0.215 0.000 2.162 452 G HA2 -0.171 3.792 3.960 0.006 0.000 0.260 452 G HA3 -0.171 3.792 3.960 0.006 0.000 0.260 452 G C -0.006 175.096 174.900 0.337 0.000 0.976 452 G CA 0.322 45.579 45.100 0.262 0.000 0.655 452 G HN 0.663 nan 8.290 nan 0.000 0.533 453 I N 1.731 122.496 120.570 0.326 0.000 2.306 453 I HA 0.248 4.421 4.170 0.006 0.000 0.288 453 I C 1.427 177.786 176.117 0.404 0.000 1.036 453 I CA -0.542 60.977 61.300 0.365 0.000 1.221 453 I CB 0.612 38.777 38.000 0.274 0.000 1.385 453 I HN 0.259 nan 8.210 nan 0.000 0.472 454 H N 5.984 125.222 119.070 0.281 0.000 2.317 454 H HA 0.043 4.602 4.556 0.006 0.000 0.304 454 H C 0.097 175.537 175.328 0.187 0.000 1.067 454 H CA 1.102 57.273 56.048 0.204 0.000 1.352 454 H CB 0.991 30.849 29.762 0.159 0.000 1.398 454 H HN 0.612 nan 8.280 nan 0.000 0.510 455 S N -0.411 115.494 115.700 0.342 0.000 2.565 455 S HA 0.551 5.025 4.470 0.006 0.000 0.269 455 S C -1.376 173.316 174.600 0.154 0.000 1.153 455 S CA -0.891 57.404 58.200 0.158 0.000 0.835 455 S CB 2.531 65.778 63.200 0.079 0.000 1.122 455 S HN 0.027 nan 8.310 nan 0.000 0.462 456 V N 1.819 121.715 119.914 -0.031 0.000 2.760 456 V HA 0.588 4.711 4.120 0.006 0.000 0.309 456 V C -1.832 174.134 176.094 -0.213 0.000 1.077 456 V CA -0.589 61.699 62.300 -0.019 0.000 0.910 456 V CB 1.498 33.328 31.823 0.010 0.000 1.008 456 V HN 0.941 nan 8.190 nan 0.000 0.424 457 Y N 2.392 122.727 120.300 0.060 0.000 2.409 457 Y HA 0.741 5.295 4.550 0.005 0.000 0.343 457 Y C -0.180 175.753 175.900 0.055 0.000 0.973 457 Y CA -1.000 57.145 58.100 0.074 0.000 1.064 457 Y CB 2.331 40.865 38.460 0.124 0.000 1.207 457 Y HN 0.352 nan 8.280 nan 0.000 0.452 458 V N 3.094 123.122 119.914 0.189 0.000 2.444 458 V HA 0.245 4.368 4.120 0.006 0.000 0.294 458 V C -0.375 175.795 176.094 0.126 0.000 1.022 458 V CA -1.480 60.888 62.300 0.113 0.000 0.850 458 V CB 1.207 33.063 31.823 0.055 0.000 0.992 458 V HN 0.970 nan 8.190 nan 0.000 0.426 459 N N 4.063 122.831 118.700 0.114 0.000 2.716 459 N HA -0.242 4.502 4.740 0.006 0.000 0.250 459 N C 1.166 176.780 175.510 0.174 0.000 1.033 459 N CA 0.876 54.004 53.050 0.130 0.000 0.727 459 N CB -0.767 37.751 38.487 0.051 0.000 0.950 459 N HN 1.397 nan 8.380 nan 0.000 0.541 460 G N -1.973 106.960 108.800 0.221 0.000 2.234 460 G HA2 -0.254 3.710 3.960 0.006 0.000 0.260 460 G HA3 -0.254 3.710 3.960 0.006 0.000 0.260 460 G C 0.229 175.372 174.900 0.406 0.000 0.987 460 G CA 0.432 45.700 45.100 0.281 0.000 0.625 460 G HN 1.027 nan 8.290 nan 0.000 0.532 461 A N 0.342 123.339 122.820 0.295 0.000 2.301 461 A HA 0.883 5.206 4.320 0.006 0.000 0.298 461 A C 0.681 178.366 177.584 0.168 0.000 1.185 461 A CA 0.844 53.014 52.037 0.221 0.000 0.830 461 A CB 0.903 19.971 19.000 0.112 0.000 1.112 461 A HN 2.043 nan 8.150 nan 0.000 0.508 462 A N 1.930 124.759 122.820 0.014 0.000 2.492 462 A HA 0.427 4.751 4.320 0.006 0.000 0.254 462 A C 1.085 178.552 177.584 -0.194 0.000 1.091 462 A CA 0.303 52.105 52.037 -0.392 0.000 0.768 462 A CB -0.145 18.548 19.000 -0.512 0.000 1.028 462 A HN 1.941 nan 8.150 nan 0.000 0.498 463 V N -0.008 119.837 119.914 -0.115 0.000 3.523 463 V HA 0.305 4.428 4.120 0.006 0.000 0.255 463 V C 0.478 176.713 176.094 0.235 0.000 1.226 463 V CA -0.044 62.311 62.300 0.092 0.000 1.092 463 V CB -0.320 31.621 31.823 0.197 0.000 0.817 463 V HN 0.852 nan 8.190 nan 0.000 0.458 464 W N 1.486 122.709 121.300 -0.128 0.000 2.715 464 W HA 0.689 5.352 4.660 0.006 0.000 0.331 464 W C -1.482 174.928 176.519 -0.181 0.000 1.031 464 W CA -0.388 56.905 57.345 -0.086 0.000 1.237 464 W CB 1.895 31.329 29.460 -0.044 0.000 1.378 464 W HN 0.230 nan 8.180 nan 0.000 0.454 465 E N 4.170 124.038 120.200 -0.553 0.000 2.352 465 E HA 0.070 4.423 4.350 0.006 0.000 0.280 465 E C -0.766 175.471 176.600 -0.604 0.000 0.930 465 E CA -0.682 55.414 56.400 -0.506 0.000 0.765 465 E CB 1.979 31.460 29.700 -0.364 0.000 1.219 465 E HN 0.380 nan 8.360 nan 0.000 0.434 466 D N 2.628 122.732 120.400 -0.493 0.000 2.751 466 D HA -0.181 4.462 4.640 0.006 0.000 0.233 466 D C -0.384 175.634 176.300 -0.469 0.000 1.149 466 D CA 1.018 54.787 54.000 -0.385 0.000 0.682 466 D CB -0.538 40.091 40.800 -0.285 0.000 1.068 466 D HN 0.541 nan 8.370 nan 0.000 0.429 467 Q N -2.149 117.243 119.800 -0.679 0.000 2.453 467 Q HA -0.237 4.107 4.340 0.006 0.000 0.294 467 Q C -0.280 175.076 176.000 -1.073 0.000 1.295 467 Q CA 1.631 56.998 55.803 -0.727 0.000 0.853 467 Q CB -1.805 26.856 28.738 -0.127 0.000 1.193 467 Q HN 0.578 nan 8.270 nan 0.000 0.461 468 S N -0.784 113.976 115.700 -1.567 0.000 2.550 468 S HA 0.638 5.112 4.470 0.006 0.000 0.270 468 S C -1.193 173.051 174.600 -0.593 0.000 1.145 468 S CA -0.875 56.793 58.200 -0.886 0.000 0.852 468 S CB 1.107 64.064 63.200 -0.405 0.000 1.119 468 S HN 0.240 nan 8.310 nan 0.000 0.465 469 F N 3.775 123.655 119.950 -0.117 0.000 2.538 469 F HA 0.340 4.870 4.527 0.006 0.000 0.371 469 F C 1.725 177.475 175.800 -0.085 0.000 1.087 469 F CA 0.356 58.404 58.000 0.080 0.000 1.250 469 F CB 1.009 40.102 39.000 0.155 0.000 1.110 469 F HN 0.725 nan 8.300 nan 0.000 0.570 470 T N 1.589 115.783 114.554 -0.599 0.000 3.088 470 T HA 0.257 4.610 4.350 0.006 0.000 0.259 470 T C 1.478 175.649 174.700 -0.880 0.000 1.122 470 T CA 0.546 62.277 62.100 -0.616 0.000 1.095 470 T CB -0.478 68.144 68.868 -0.410 0.000 0.930 470 T HN 1.519 nan 8.240 nan 0.000 0.508 471 G N 0.714 108.388 108.800 -1.877 0.000 2.194 471 G HA2 -0.205 3.758 3.960 0.006 0.000 0.236 471 G HA3 -0.205 3.758 3.960 0.006 0.000 0.236 471 G C -0.019 174.353 174.900 -0.879 0.000 0.987 471 G CA -0.265 44.048 45.100 -1.311 0.000 0.635 471 G HN 0.576 nan 8.290 nan 0.000 0.520 472 Q N 0.907 120.296 119.800 -0.685 0.000 2.323 472 Q HA 0.325 4.669 4.340 0.006 0.000 0.257 472 Q C -0.393 175.557 176.000 -0.083 0.000 1.022 472 Q CA 0.066 55.719 55.803 -0.251 0.000 0.919 472 Q CB 0.272 28.939 28.738 -0.119 0.000 1.220 472 Q HN 0.671 nan 8.270 nan 0.000 0.427 473 H N 0.855 120.020 119.070 0.158 0.000 2.820 473 H HA 0.265 4.824 4.556 0.006 0.000 0.248 473 H C 0.721 176.094 175.328 0.075 0.000 1.714 473 H CA -0.119 56.021 56.048 0.153 0.000 1.334 473 H CB 0.515 30.341 29.762 0.107 0.000 1.693 473 H HN 0.711 nan 8.280 nan 0.000 0.548 474 A N 2.361 125.262 122.820 0.134 0.000 2.238 474 A HA 0.217 4.540 4.320 0.006 0.000 0.210 474 A C 1.657 179.264 177.584 0.038 0.000 1.179 474 A CA 0.291 52.375 52.037 0.079 0.000 0.827 474 A CB 0.076 19.122 19.000 0.077 0.000 0.856 474 A HN 0.622 nan 8.150 nan 0.000 0.488 475 G N -0.178 108.640 108.800 0.030 0.000 2.539 475 G HA2 0.495 4.458 3.960 0.006 0.000 0.258 475 G HA3 0.495 4.458 3.960 0.006 0.000 0.258 475 G C -0.117 174.751 174.900 -0.053 0.000 1.202 475 G CA -0.517 44.568 45.100 -0.025 0.000 0.851 475 G HN 0.449 nan 8.290 nan 0.000 0.556 476 R N -0.380 120.064 120.500 -0.092 0.000 2.807 476 R HA 0.447 4.791 4.340 0.006 0.000 0.276 476 R C -0.989 175.241 176.300 -0.116 0.000 0.979 476 R CA -0.911 55.125 56.100 -0.108 0.000 0.928 476 R CB 2.549 32.764 30.300 -0.142 0.000 1.191 476 R HN 0.332 nan 8.270 nan 0.000 0.471 477 V N 4.278 124.125 119.914 -0.111 0.000 2.455 477 V HA 0.182 4.305 4.120 0.006 0.000 0.273 477 V C 0.247 176.291 176.094 -0.084 0.000 1.045 477 V CA -0.087 62.151 62.300 -0.104 0.000 0.976 477 V CB 0.573 32.326 31.823 -0.116 0.000 0.993 477 V HN 0.452 nan 8.190 nan 0.000 0.475 478 L N 5.286 126.465 121.223 -0.073 0.000 2.360 478 L HA 0.533 4.876 4.340 0.006 0.000 0.271 478 L C 0.047 176.907 176.870 -0.017 0.000 1.057 478 L CA -0.443 54.361 54.840 -0.060 0.000 0.803 478 L CB 1.159 43.176 42.059 -0.069 0.000 1.207 478 L HN 0.624 nan 8.230 nan 0.000 0.445 479 N N -0.478 118.219 118.700 -0.004 0.000 2.335 479 N HA 0.746 5.490 4.740 0.006 0.000 0.304 479 N C -0.416 175.115 175.510 0.034 0.000 1.135 479 N CA -0.675 52.388 53.050 0.022 0.000 0.817 479 N CB 1.522 40.024 38.487 0.026 0.000 1.294 479 N HN 0.617 nan 8.380 nan 0.000 0.497 480 R N 0.000 120.530 120.500 0.050 0.000 2.786 480 R HA 0.000 4.343 4.340 0.006 0.000 0.208 480 R CA 0.000 56.137 56.100 0.061 0.000 0.921 480 R CB 0.000 30.349 30.300 0.081 0.000 0.687 480 R HN 0.000 nan 8.270 nan 0.000 0.535