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 1m3y_1_A DATA FIRST_RESID 25 DATA SEQUENCE TFFKTVYRRY TNFAIESIQQ TINGSVGFGN KVSTQISRNG DLITDIVVEF DATA SEQUENCE VLTKGGNGGT TYYPAEELLQ DVELEIGGQR IDKHYNDWFR TYDALFRMND DATA SEQUENCE DRYNYRRMTD WVNNELVGAQ KRFYVPLIFF FNQTPGLALP LIALQYHEVK DATA SEQUENCE LYFTLASQVQ GVNYNGSSAI AGAAQPTMSV WVDYIFLDTQ ERTRFAQLPH DATA SEQUENCE EYLIEQLQFT GSETATPSAT TQASQNIRLN FNHPTKYLAW NFNNPTNYGQ DATA SEQUENCE YTALANIPGA CSGAGTAAAT VTTPDYGNTG TYNEQLAVLD SAKIQLNGQD DATA SEQUENCE RFATRKGSYF NKVQPYQSIG GVTPAGVYLY SFALKPAGRQ PSGTCNFSRI DATA SEQUENCE DNATLSLTYK TCSIDATSPA AVLGNTETVT ANTATLLTAL NIYAKNYNVL DATA SEQUENCE RIMSGMGGLA YAN 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 25 T HA 0.000 nan 4.350 nan 0.000 0.228 25 T C 0.000 174.390 174.700 -0.517 0.000 1.109 25 T CA 0.000 61.876 62.100 -0.373 0.000 1.349 25 T CB 0.000 68.804 68.868 -0.107 0.000 0.612 26 F N 0.197 119.941 119.950 -0.344 0.000 2.695 26 F HA 0.361 4.888 4.527 -0.001 0.000 0.303 26 F C 1.026 176.373 175.800 -0.754 0.000 1.091 26 F CA -0.293 57.351 58.000 -0.593 0.000 1.300 26 F CB 0.129 38.639 39.000 -0.816 0.000 1.071 26 F HN 0.484 nan 8.300 nan 0.000 0.578 27 F N -0.341 119.672 119.950 0.105 0.000 2.639 27 F HA 0.296 4.822 4.527 -0.001 0.000 0.302 27 F C 0.528 176.334 175.800 0.011 0.000 1.097 27 F CA -0.167 57.871 58.000 0.064 0.000 1.294 27 F CB 0.423 39.460 39.000 0.062 0.000 1.027 27 F HN -0.347 nan 8.300 nan 0.000 0.550 28 K N 0.924 121.359 120.400 0.059 0.000 3.088 28 K HA 0.230 4.549 4.320 -0.001 0.000 0.193 28 K C -0.623 175.924 176.600 -0.089 0.000 1.176 28 K CA 0.017 56.306 56.287 0.004 0.000 0.907 28 K CB 0.209 32.720 32.500 0.020 0.000 1.139 28 K HN -0.142 nan 8.250 nan 0.000 0.597 29 T N 1.153 115.611 114.554 -0.160 0.000 2.870 29 T HA 0.161 4.510 4.350 -0.001 0.000 0.300 29 T C -0.178 174.275 174.700 -0.412 0.000 0.989 29 T CA -0.106 61.811 62.100 -0.304 0.000 1.139 29 T CB 0.705 69.308 68.868 -0.442 0.000 0.920 29 T HN 0.082 nan 8.240 nan 0.000 0.537 30 V N 5.835 125.571 119.914 -0.297 0.000 2.259 30 V HA 0.225 4.344 4.120 -0.001 0.000 0.267 30 V C -0.334 175.669 176.094 -0.151 0.000 1.051 30 V CA -0.943 61.236 62.300 -0.202 0.000 0.830 30 V CB -0.803 30.970 31.823 -0.084 0.000 1.080 30 V HN 0.733 nan 8.190 nan 0.000 0.467 31 Y N 3.711 124.039 120.300 0.047 0.000 2.641 31 Y HA 0.206 4.755 4.550 -0.001 0.000 0.351 31 Y C 1.241 177.183 175.900 0.069 0.000 1.269 31 Y CA 0.081 58.219 58.100 0.063 0.000 1.485 31 Y CB 0.350 38.855 38.460 0.075 0.000 1.364 31 Y HN 0.427 nan 8.280 nan 0.000 0.651 32 R N 1.515 122.185 120.500 0.283 0.000 2.598 32 R HA 0.446 4.786 4.340 -0.001 0.000 0.279 32 R C -0.340 176.088 176.300 0.214 0.000 0.984 32 R CA -0.912 55.306 56.100 0.197 0.000 0.999 32 R CB 0.941 31.346 30.300 0.174 0.000 1.114 32 R HN 0.651 nan 8.270 nan 0.000 0.493 33 R N 1.795 122.377 120.500 0.137 0.000 2.404 33 R HA 0.302 4.642 4.340 -0.001 0.000 0.291 33 R C -0.329 176.041 176.300 0.118 0.000 1.025 33 R CA -0.420 55.712 56.100 0.053 0.000 0.991 33 R CB 0.836 31.131 30.300 -0.009 0.000 1.053 33 R HN 0.598 nan 8.270 nan 0.000 0.479 34 Y N -1.773 118.590 120.300 0.105 0.000 2.730 34 Y HA 0.484 5.033 4.550 -0.001 0.000 0.325 34 Y C 0.174 176.161 175.900 0.145 0.000 1.132 34 Y CA -1.334 56.843 58.100 0.128 0.000 1.206 34 Y CB 0.466 39.023 38.460 0.163 0.000 1.390 34 Y HN 0.353 nan 8.280 nan 0.000 0.555 35 T N 1.828 116.634 114.554 0.421 0.000 2.794 35 T HA 0.180 4.529 4.350 -0.001 0.000 0.296 35 T C -0.312 174.676 174.700 0.480 0.000 0.949 35 T CA -0.546 61.748 62.100 0.324 0.000 1.101 35 T CB -0.506 68.529 68.868 0.279 0.000 0.905 35 T HN 0.739 nan 8.240 nan 0.000 0.516 36 N N 4.332 123.196 118.700 0.273 0.000 2.412 36 N HA 0.336 5.076 4.740 -0.001 0.000 0.258 36 N C -0.627 175.101 175.510 0.364 0.000 1.236 36 N CA 0.207 53.403 53.050 0.243 0.000 0.882 36 N CB -0.155 38.389 38.487 0.096 0.000 1.066 36 N HN 0.588 nan 8.380 nan 0.000 0.465 37 F N 0.755 120.819 119.950 0.190 0.000 2.789 37 F HA 0.871 5.398 4.527 -0.001 0.000 0.319 37 F C -1.548 174.348 175.800 0.160 0.000 1.168 37 F CA -1.250 56.850 58.000 0.166 0.000 0.934 37 F CB 0.780 39.868 39.000 0.147 0.000 1.375 37 F HN 0.491 nan 8.300 nan 0.000 0.480 38 A N 1.193 124.226 122.820 0.355 0.000 2.572 38 A HA 0.841 5.161 4.320 -0.001 0.000 0.295 38 A C -1.664 176.227 177.584 0.512 0.000 1.072 38 A CA -0.792 51.382 52.037 0.228 0.000 0.691 38 A CB 1.397 20.472 19.000 0.125 0.000 1.291 38 A HN 0.826 nan 8.150 nan 0.000 0.404 39 I N 0.336 121.134 120.570 0.381 0.000 2.797 39 I HA 0.704 4.873 4.170 -0.001 0.000 0.307 39 I C -0.197 176.138 176.117 0.362 0.000 1.033 39 I CA -0.504 61.035 61.300 0.399 0.000 1.071 39 I CB 2.209 40.391 38.000 0.303 0.000 1.255 39 I HN 0.746 nan 8.210 nan 0.000 0.445 40 E N 2.327 122.775 120.200 0.414 0.000 2.397 40 E HA 0.173 4.523 4.350 -0.001 0.000 0.293 40 E C -1.784 175.056 176.600 0.400 0.000 0.930 40 E CA -0.300 56.327 56.400 0.377 0.000 0.793 40 E CB 2.247 32.213 29.700 0.442 0.000 1.259 40 E HN 0.535 nan 8.360 nan 0.000 0.406 41 S N 4.588 120.488 115.700 0.334 0.000 2.465 41 S HA 0.542 5.012 4.470 -0.001 0.000 0.279 41 S C -0.332 174.599 174.600 0.551 0.000 1.201 41 S CA -0.311 58.136 58.200 0.412 0.000 1.053 41 S CB 0.065 63.452 63.200 0.311 0.000 0.953 41 S HN 0.364 nan 8.310 nan 0.000 0.488 42 I N 4.128 125.013 120.570 0.524 0.000 2.498 42 I HA 0.327 4.497 4.170 -0.001 0.000 0.290 42 I C 0.154 176.215 176.117 -0.093 0.000 1.032 42 I CA -0.711 60.750 61.300 0.268 0.000 1.073 42 I CB 1.983 40.084 38.000 0.168 0.000 1.251 42 I HN 0.570 nan 8.210 nan 0.000 0.426 43 Q N 3.995 123.302 119.800 -0.823 0.000 2.364 43 Q HA 0.122 4.462 4.340 -0.001 0.000 0.267 43 Q C -0.774 174.888 176.000 -0.563 0.000 0.999 43 Q CA -0.150 54.852 55.803 -1.336 0.000 0.886 43 Q CB 0.980 28.710 28.738 -1.679 0.000 1.243 43 Q HN 0.424 nan 8.270 nan 0.000 0.415 44 Q N 1.032 120.554 119.800 -0.462 0.000 2.214 44 Q HA 0.344 4.683 4.340 -0.001 0.000 0.251 44 Q C -1.140 174.732 176.000 -0.213 0.000 0.936 44 Q CA -0.120 55.548 55.803 -0.225 0.000 0.894 44 Q CB 2.086 30.748 28.738 -0.126 0.000 1.252 44 Q HN 0.600 nan 8.270 nan 0.000 0.448 45 T N 2.658 117.130 114.554 -0.137 0.000 2.729 45 T HA 0.406 4.756 4.350 -0.001 0.000 0.296 45 T C 0.164 174.805 174.700 -0.098 0.000 0.928 45 T CA -0.205 61.825 62.100 -0.116 0.000 1.045 45 T CB -0.107 68.710 68.868 -0.085 0.000 0.902 45 T HN 0.365 nan 8.240 nan 0.000 0.500 46 I N 4.625 125.130 120.570 -0.109 0.000 2.441 46 I HA 0.174 4.344 4.170 -0.001 0.000 0.287 46 I C 0.761 176.839 176.117 -0.065 0.000 1.049 46 I CA -0.459 60.783 61.300 -0.095 0.000 1.381 46 I CB 0.576 38.498 38.000 -0.130 0.000 1.409 46 I HN 0.527 nan 8.210 nan 0.000 0.523 47 N N 5.688 124.359 118.700 -0.048 0.000 2.425 47 N HA 0.544 5.284 4.740 -0.001 0.000 0.268 47 N C -0.326 175.174 175.510 -0.016 0.000 0.991 47 N CA 0.287 53.316 53.050 -0.036 0.000 0.931 47 N CB 1.708 40.168 38.487 -0.045 0.000 1.130 47 N HN 0.904 nan 8.380 nan 0.000 0.493 48 G N 1.315 110.109 108.800 -0.010 0.000 2.434 48 G HA2 -0.111 3.848 3.960 -0.001 0.000 0.671 48 G HA3 -0.111 3.848 3.960 -0.001 0.000 0.671 48 G C -1.417 173.483 174.900 -0.001 0.000 1.280 48 G CA -0.442 44.661 45.100 0.005 0.000 0.975 48 G HN 0.662 nan 8.290 nan 0.000 0.510 49 S N -0.710 114.996 115.700 0.009 0.000 2.422 49 S HA 0.559 5.029 4.470 -0.001 0.000 0.308 49 S C 0.433 175.033 174.600 -0.000 0.000 1.097 49 S CA -0.293 57.909 58.200 0.003 0.000 1.099 49 S CB 0.804 64.011 63.200 0.012 0.000 0.976 49 S HN 1.373 nan 8.310 nan 0.000 0.471 50 V N 5.413 125.316 119.914 -0.018 0.000 2.521 50 V HA 0.632 4.752 4.120 -0.001 0.000 0.286 50 V C 1.095 177.157 176.094 -0.053 0.000 1.034 50 V CA 0.785 63.065 62.300 -0.033 0.000 1.045 50 V CB 0.230 32.026 31.823 -0.044 0.000 0.974 50 V HN 1.068 nan 8.190 nan 0.000 0.480 51 G N 3.821 112.574 108.800 -0.079 0.000 2.411 51 G HA2 0.432 4.392 3.960 -0.001 0.000 0.295 51 G HA3 0.432 4.392 3.960 -0.001 0.000 0.295 51 G C -1.142 173.693 174.900 -0.107 0.000 1.542 51 G CA -1.013 44.012 45.100 -0.125 0.000 0.814 51 G HN 0.293 nan 8.290 nan 0.000 0.557 52 F N 1.307 121.271 119.950 0.023 0.000 2.612 52 F HA 0.346 4.873 4.527 -0.001 0.000 0.389 52 F C 1.744 177.566 175.800 0.037 0.000 1.055 52 F CA 2.038 60.050 58.000 0.020 0.000 1.232 52 F CB 0.887 39.907 39.000 0.033 0.000 1.044 52 F HN 1.450 nan 8.300 nan 0.000 0.560 53 G N 1.983 110.908 108.800 0.209 0.000 2.176 53 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.253 53 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.253 53 G C 0.089 175.057 174.900 0.112 0.000 0.979 53 G CA -0.293 44.895 45.100 0.147 0.000 0.641 53 G HN 0.589 nan 8.290 nan 0.000 0.530 54 N N 0.694 119.452 118.700 0.096 0.000 2.508 54 N HA 0.560 5.299 4.740 -0.001 0.000 0.285 54 N C -0.024 175.546 175.510 0.100 0.000 1.144 54 N CA -0.111 52.989 53.050 0.083 0.000 0.978 54 N CB 0.863 39.385 38.487 0.058 0.000 1.180 54 N HN 0.320 nan 8.380 nan 0.000 0.484 55 K N 0.497 120.960 120.400 0.105 0.000 2.185 55 K HA 0.565 4.885 4.320 -0.001 0.000 0.269 55 K C -0.952 175.725 176.600 0.127 0.000 0.987 55 K CA -0.709 55.659 56.287 0.136 0.000 0.865 55 K CB 2.007 34.589 32.500 0.137 0.000 1.090 55 K HN 0.248 nan 8.250 nan 0.000 0.450 56 V N 1.234 121.247 119.914 0.165 0.000 3.040 56 V HA 0.695 4.814 4.120 -0.001 0.000 0.312 56 V C -1.191 175.006 176.094 0.171 0.000 1.115 56 V CA -0.306 62.071 62.300 0.129 0.000 0.998 56 V CB 2.229 34.100 31.823 0.080 0.000 1.042 56 V HN 1.002 nan 8.190 nan 0.000 0.433 57 S N 2.768 118.499 115.700 0.051 0.000 2.685 57 S HA 0.889 5.358 4.470 -0.001 0.000 0.282 57 S C -0.878 173.683 174.600 -0.066 0.000 1.159 57 S CA -0.579 57.562 58.200 -0.098 0.000 0.833 57 S CB 2.221 65.131 63.200 -0.484 0.000 1.151 57 S HN 1.069 nan 8.310 nan 0.000 0.485 58 T N 1.235 115.713 114.554 -0.128 0.000 3.041 58 T HA 0.431 4.780 4.350 -0.001 0.000 0.321 58 T C -1.714 172.917 174.700 -0.114 0.000 1.184 58 T CA -0.606 61.455 62.100 -0.066 0.000 1.050 58 T CB 1.801 70.698 68.868 0.048 0.000 1.159 58 T HN 0.680 nan 8.240 nan 0.000 0.469 59 Q N 3.004 122.753 119.800 -0.085 0.000 2.347 59 Q HA 0.343 4.682 4.340 -0.001 0.000 0.262 59 Q C -0.348 175.630 176.000 -0.036 0.000 0.980 59 Q CA -0.838 54.923 55.803 -0.069 0.000 0.867 59 Q CB 0.624 29.329 28.738 -0.056 0.000 1.242 59 Q HN 0.523 nan 8.270 nan 0.000 0.453 60 I N 3.451 124.005 120.570 -0.028 0.000 2.741 60 I HA -0.087 4.083 4.170 -0.001 0.000 0.288 60 I C 0.833 176.972 176.117 0.037 0.000 1.192 60 I CA 0.706 62.011 61.300 0.010 0.000 1.426 60 I CB -0.119 37.866 38.000 -0.026 0.000 1.367 60 I HN 0.557 nan 8.210 nan 0.000 0.563 61 S N 7.306 123.053 115.700 0.077 0.000 2.565 61 S HA 0.368 4.838 4.470 -0.001 0.000 0.274 61 S C 0.374 175.005 174.600 0.051 0.000 1.309 61 S CA -0.896 57.325 58.200 0.034 0.000 1.043 61 S CB 0.936 64.127 63.200 -0.014 0.000 0.939 61 S HN 0.516 nan 8.310 nan 0.000 0.504 62 R N 2.503 122.997 120.500 -0.010 0.000 3.710 62 R HA 0.196 4.535 4.340 -0.001 0.000 0.201 62 R C 0.293 176.515 176.300 -0.131 0.000 1.641 62 R CA -0.268 55.812 56.100 -0.032 0.000 1.390 62 R CB -0.503 29.778 30.300 -0.032 0.000 1.341 62 R HN 0.635 nan 8.270 nan 0.000 0.728 63 N N 0.213 118.710 118.700 -0.339 0.000 2.368 63 N HA -0.016 4.723 4.740 -0.001 0.000 0.178 63 N C 1.003 176.260 175.510 -0.421 0.000 1.021 63 N CA 0.639 53.429 53.050 -0.434 0.000 0.875 63 N CB 0.383 38.441 38.487 -0.715 0.000 1.020 63 N HN 0.382 nan 8.380 nan 0.000 0.433 64 G N 0.079 108.494 108.800 -0.642 0.000 2.667 64 G HA2 0.268 4.228 3.960 -0.001 0.000 0.310 64 G HA3 0.268 4.228 3.960 -0.001 0.000 0.310 64 G C -0.018 174.718 174.900 -0.273 0.000 1.259 64 G CA -0.333 44.367 45.100 -0.667 0.000 1.019 64 G HN -0.123 nan 8.290 nan 0.000 0.496 65 D N -0.887 119.309 120.400 -0.340 0.000 2.137 65 D HA 0.030 4.670 4.640 -0.001 0.000 0.202 65 D C 0.938 177.088 176.300 -0.251 0.000 0.970 65 D CA 1.043 54.907 54.000 -0.227 0.000 0.837 65 D CB 0.245 40.919 40.800 -0.211 0.000 0.981 65 D HN 0.123 nan 8.370 nan 0.000 0.475 66 L N 0.383 121.443 121.223 -0.272 0.000 2.309 66 L HA 0.549 4.888 4.340 -0.001 0.000 0.261 66 L C -0.327 176.399 176.870 -0.241 0.000 1.021 66 L CA -1.190 53.480 54.840 -0.283 0.000 0.823 66 L CB 2.595 44.450 42.059 -0.340 0.000 1.366 66 L HN -0.134 nan 8.230 nan 0.000 0.423 67 I N -2.187 118.224 120.570 -0.264 0.000 2.647 67 I HA 0.694 4.863 4.170 -0.001 0.000 0.295 67 I C 0.009 176.094 176.117 -0.054 0.000 1.078 67 I CA -0.285 60.842 61.300 -0.287 0.000 1.048 67 I CB 2.166 39.916 38.000 -0.417 0.000 1.239 67 I HN 0.774 nan 8.210 nan 0.000 0.421 68 T N -0.021 114.521 114.554 -0.020 0.000 2.995 68 T HA 0.254 4.604 4.350 -0.001 0.000 0.170 68 T C 0.258 174.944 174.700 -0.024 0.000 0.844 68 T CA -0.143 61.984 62.100 0.045 0.000 1.137 68 T CB -0.400 68.452 68.868 -0.028 0.000 2.193 68 T HN 0.584 nan 8.240 nan 0.000 0.384 69 D N 1.370 121.735 120.400 -0.058 0.000 2.399 69 D HA 0.448 5.087 4.640 -0.001 0.000 0.241 69 D C -0.468 175.817 176.300 -0.024 0.000 1.133 69 D CA 0.286 54.243 54.000 -0.072 0.000 0.890 69 D CB 1.047 41.824 40.800 -0.038 0.000 1.201 69 D HN 0.428 nan 8.370 nan 0.000 0.432 70 I N 1.404 121.965 120.570 -0.016 0.000 2.512 70 I HA 0.168 4.338 4.170 -0.001 0.000 0.287 70 I C -0.675 175.501 176.117 0.098 0.000 1.069 70 I CA -0.797 60.545 61.300 0.070 0.000 1.056 70 I CB 2.183 40.248 38.000 0.109 0.000 1.229 70 I HN -0.068 nan 8.210 nan 0.000 0.429 71 V N 6.737 126.741 119.914 0.151 0.000 2.555 71 V HA 0.464 4.583 4.120 -0.001 0.000 0.302 71 V C -0.223 175.955 176.094 0.139 0.000 1.038 71 V CA -0.755 61.637 62.300 0.153 0.000 0.887 71 V CB 2.479 34.400 31.823 0.163 0.000 0.991 71 V HN 0.372 nan 8.190 nan 0.000 0.434 72 V N 4.024 123.968 119.914 0.050 0.000 2.347 72 V HA 0.393 4.512 4.120 -0.001 0.000 0.280 72 V C 0.020 175.925 176.094 -0.316 0.000 1.021 72 V CA -0.607 61.582 62.300 -0.185 0.000 0.847 72 V CB 1.380 33.028 31.823 -0.292 0.000 0.990 72 V HN 0.904 nan 8.190 nan 0.000 0.444 73 E N 4.243 124.229 120.200 -0.357 0.000 2.249 73 E HA 0.596 4.945 4.350 -0.001 0.000 0.280 73 E C -1.326 174.953 176.600 -0.535 0.000 1.016 73 E CA -0.194 55.953 56.400 -0.421 0.000 0.830 73 E CB 1.676 31.201 29.700 -0.292 0.000 1.081 73 E HN 0.536 nan 8.360 nan 0.000 0.395 74 F N 1.006 120.858 119.950 -0.163 0.000 2.588 74 F HA 0.461 4.988 4.527 -0.001 0.000 0.314 74 F C -0.492 175.293 175.800 -0.025 0.000 1.069 74 F CA -1.123 56.834 58.000 -0.071 0.000 0.931 74 F CB 1.836 40.819 39.000 -0.030 0.000 1.260 74 F HN 0.111 nan 8.300 nan 0.000 0.465 75 V N 4.317 124.375 119.914 0.240 0.000 2.443 75 V HA 0.519 4.639 4.120 -0.001 0.000 0.293 75 V C -0.570 175.666 176.094 0.237 0.000 1.021 75 V CA -0.559 61.831 62.300 0.149 0.000 0.848 75 V CB 1.546 33.398 31.823 0.049 0.000 0.998 75 V HN 0.527 nan 8.190 nan 0.000 0.424 76 L N 3.109 124.567 121.223 0.392 0.000 2.283 76 L HA 0.814 5.154 4.340 -0.001 0.000 0.259 76 L C -0.228 176.995 176.870 0.588 0.000 1.027 76 L CA -0.629 54.475 54.840 0.439 0.000 0.828 76 L CB 2.716 45.026 42.059 0.417 0.000 1.380 76 L HN 0.443 nan 8.230 nan 0.000 0.425 77 T N 0.147 114.971 114.554 0.450 0.000 2.841 77 T HA 0.329 4.679 4.350 -0.001 0.000 0.285 77 T C -0.538 174.181 174.700 0.031 0.000 0.991 77 T CA -0.818 61.443 62.100 0.268 0.000 0.966 77 T CB 1.610 70.556 68.868 0.129 0.000 0.962 77 T HN 0.360 nan 8.240 nan 0.000 0.438 78 K N 1.214 121.376 120.400 -0.397 0.000 2.436 78 K HA 0.355 4.674 4.320 -0.001 0.000 0.275 78 K C 1.148 177.571 176.600 -0.296 0.000 0.999 78 K CA -0.177 55.725 56.287 -0.641 0.000 0.980 78 K CB 0.493 32.412 32.500 -0.968 0.000 0.919 78 K HN 0.759 nan 8.250 nan 0.000 0.484 79 G N 1.336 109.997 108.800 -0.232 0.000 3.453 79 G HA2 0.318 4.278 3.960 -0.001 0.000 0.263 79 G HA3 0.318 4.278 3.960 -0.001 0.000 0.263 79 G C 0.187 174.997 174.900 -0.150 0.000 1.060 79 G CA 0.024 45.030 45.100 -0.156 0.000 0.793 79 G HN 0.708 nan 8.290 nan 0.000 0.532 80 G N -0.509 108.182 108.800 -0.182 0.000 2.687 80 G HA2 0.451 4.411 3.960 -0.001 0.000 0.291 80 G HA3 0.451 4.411 3.960 -0.001 0.000 0.291 80 G C -0.677 174.135 174.900 -0.146 0.000 1.420 80 G CA -0.664 44.354 45.100 -0.136 0.000 0.796 80 G HN 0.002 nan 8.290 nan 0.000 0.485 81 N N -0.620 118.025 118.700 -0.091 0.000 2.483 81 N HA 0.319 5.058 4.740 -0.001 0.000 0.278 81 N C 0.962 176.439 175.510 -0.056 0.000 1.355 81 N CA 0.328 53.331 53.050 -0.078 0.000 0.896 81 N CB -0.453 38.008 38.487 -0.043 0.000 1.100 81 N HN 0.677 nan 8.380 nan 0.000 0.460 82 G N -1.958 106.832 108.800 -0.016 0.000 2.442 82 G HA2 0.388 4.348 3.960 -0.001 0.000 0.249 82 G HA3 0.388 4.348 3.960 -0.001 0.000 0.249 82 G C 0.764 175.696 174.900 0.052 0.000 1.263 82 G CA 0.220 45.332 45.100 0.019 0.000 0.846 82 G HN 0.745 nan 8.290 nan 0.000 0.555 83 G N 1.113 109.965 108.800 0.086 0.000 2.198 83 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.260 83 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.260 83 G C 0.853 175.856 174.900 0.172 0.000 1.025 83 G CA 0.860 46.035 45.100 0.125 0.000 0.769 83 G HN 0.989 nan 8.290 nan 0.000 0.507 84 T N -0.453 114.176 114.554 0.125 0.000 3.040 84 T HA 0.320 4.670 4.350 -0.001 0.000 0.250 84 T C 1.020 175.747 174.700 0.045 0.000 1.058 84 T CA 1.152 63.304 62.100 0.087 0.000 0.988 84 T CB 0.687 69.543 68.868 -0.021 0.000 0.993 84 T HN 0.380 nan 8.240 nan 0.000 0.519 85 T N 0.936 115.580 114.554 0.151 0.000 2.942 85 T HA 0.600 4.949 4.350 -0.001 0.000 0.289 85 T C -2.054 172.841 174.700 0.324 0.000 1.044 85 T CA -0.471 61.751 62.100 0.203 0.000 1.023 85 T CB 1.487 70.544 68.868 0.315 0.000 1.123 85 T HN 0.143 nan 8.240 nan 0.000 0.512 86 Y N 2.399 122.782 120.300 0.139 0.000 2.347 86 Y HA 0.301 4.850 4.550 -0.001 0.000 0.339 86 Y C -1.144 174.924 175.900 0.279 0.000 1.152 86 Y CA -1.224 56.998 58.100 0.203 0.000 1.321 86 Y CB -0.180 38.469 38.460 0.315 0.000 1.137 86 Y HN 0.827 nan 8.280 nan 0.000 0.486 87 Y N 4.437 124.572 120.300 -0.275 0.000 3.078 87 Y HA -0.263 4.286 4.550 -0.001 0.000 0.202 87 Y C -1.902 173.827 175.900 -0.285 0.000 1.322 87 Y CA 0.469 58.398 58.100 -0.286 0.000 1.118 87 Y CB -1.010 37.292 38.460 -0.264 0.000 1.343 87 Y HN 0.477 nan 8.280 nan 0.000 0.499 88 P HA -0.264 nan 4.420 nan 0.000 0.215 88 P C 1.606 178.627 177.300 -0.465 0.000 1.157 88 P CA 2.507 65.404 63.100 -0.339 0.000 0.868 88 P CB 0.124 31.626 31.700 -0.329 0.000 0.788 89 A N -0.273 122.174 122.820 -0.621 0.000 1.933 89 A HA -0.238 4.082 4.320 -0.001 0.000 0.218 89 A C 2.325 179.798 177.584 -0.184 0.000 1.175 89 A CA 1.703 53.453 52.037 -0.479 0.000 0.628 89 A CB -1.231 17.544 19.000 -0.374 0.000 0.814 89 A HN 0.207 nan 8.150 nan 0.000 0.444 90 E N -0.324 119.823 120.200 -0.088 0.000 2.047 90 E HA -0.228 4.122 4.350 -0.001 0.000 0.191 90 E C 2.030 178.596 176.600 -0.057 0.000 0.987 90 E CA 1.236 57.687 56.400 0.086 0.000 0.799 90 E CB -0.182 29.676 29.700 0.263 0.000 0.752 90 E HN 0.747 nan 8.360 nan 0.000 0.449 91 E N 0.570 120.593 120.200 -0.295 0.000 2.106 91 E HA -0.180 4.170 4.350 -0.001 0.000 0.192 91 E C 2.342 178.761 176.600 -0.302 0.000 0.984 91 E CA 0.511 56.575 56.400 -0.560 0.000 0.806 91 E CB -0.085 28.996 29.700 -1.032 0.000 0.750 91 E HN 0.329 nan 8.360 nan 0.000 0.458 92 L N 0.790 121.827 121.223 -0.309 0.000 2.043 92 L HA -0.134 4.205 4.340 -0.001 0.000 0.212 92 L C 1.357 178.130 176.870 -0.161 0.000 1.075 92 L CA 0.875 55.526 54.840 -0.315 0.000 0.752 92 L CB -0.058 41.555 42.059 -0.744 0.000 0.891 92 L HN 0.250 nan 8.230 nan 0.000 0.432 93 L N 0.719 121.897 121.223 -0.075 0.000 2.376 93 L HA -0.063 4.277 4.340 -0.001 0.000 0.250 93 L C 1.499 178.352 176.870 -0.029 0.000 1.335 93 L CA 0.021 54.898 54.840 0.061 0.000 1.214 93 L CB 0.309 42.436 42.059 0.113 0.000 1.395 93 L HN 0.375 nan 8.230 nan 0.000 0.424 94 Q N 1.587 121.405 119.800 0.029 0.000 2.152 94 Q HA -0.178 4.162 4.340 -0.001 0.000 0.206 94 Q C -0.449 175.595 176.000 0.074 0.000 0.985 94 Q CA 1.994 57.839 55.803 0.071 0.000 0.863 94 Q CB 0.294 29.099 28.738 0.111 0.000 0.904 94 Q HN 0.864 nan 8.270 nan 0.000 0.422 95 D N -3.337 117.078 120.400 0.026 0.000 2.706 95 D HA 0.416 5.055 4.640 -0.001 0.000 0.227 95 D C -1.476 174.787 176.300 -0.062 0.000 1.233 95 D CA -0.824 53.122 54.000 -0.090 0.000 0.768 95 D CB 1.355 42.066 40.800 -0.148 0.000 1.490 95 D HN -0.078 nan 8.370 nan 0.000 0.458 96 V N 0.014 119.865 119.914 -0.105 0.000 2.709 96 V HA 0.667 4.787 4.120 -0.001 0.000 0.308 96 V C -0.704 175.382 176.094 -0.013 0.000 1.062 96 V CA -0.726 61.517 62.300 -0.096 0.000 0.901 96 V CB 1.664 33.510 31.823 0.039 0.000 1.003 96 V HN 0.762 nan 8.190 nan 0.000 0.425 97 E N 3.380 123.524 120.200 -0.094 0.000 2.199 97 E HA 0.530 4.880 4.350 -0.001 0.000 0.265 97 E C -1.630 174.867 176.600 -0.172 0.000 0.882 97 E CA -0.643 55.698 56.400 -0.099 0.000 0.759 97 E CB 2.110 31.755 29.700 -0.092 0.000 1.148 97 E HN 0.713 nan 8.360 nan 0.000 0.412 98 L N 4.434 125.420 121.223 -0.395 0.000 2.275 98 L HA 0.437 4.777 4.340 -0.001 0.000 0.288 98 L C -0.692 176.055 176.870 -0.206 0.000 1.046 98 L CA -0.191 54.378 54.840 -0.451 0.000 0.805 98 L CB 1.046 42.573 42.059 -0.887 0.000 1.193 98 L HN 0.700 nan 8.230 nan 0.000 0.426 99 E N 5.953 126.100 120.200 -0.088 0.000 2.256 99 E HA 0.467 4.817 4.350 -0.001 0.000 0.268 99 E C -1.613 174.962 176.600 -0.042 0.000 0.877 99 E CA -0.658 55.718 56.400 -0.041 0.000 0.757 99 E CB 2.045 31.766 29.700 0.035 0.000 1.183 99 E HN 0.586 nan 8.360 nan 0.000 0.418 100 I N 3.288 123.830 120.570 -0.047 0.000 2.436 100 I HA 0.345 4.514 4.170 -0.001 0.000 0.289 100 I C 0.753 176.805 176.117 -0.110 0.000 1.010 100 I CA -0.592 60.689 61.300 -0.031 0.000 1.098 100 I CB 1.925 39.944 38.000 0.031 0.000 1.266 100 I HN 0.933 nan 8.210 nan 0.000 0.434 101 G N 4.325 112.957 108.800 -0.279 0.000 2.356 101 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.296 101 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.296 101 G C 1.038 175.697 174.900 -0.400 0.000 1.022 101 G CA 0.779 45.406 45.100 -0.788 0.000 0.961 101 G HN 1.488 nan 8.290 nan 0.000 0.510 102 G N -1.716 106.972 108.800 -0.187 0.000 2.284 102 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.261 102 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.261 102 G C 0.452 175.295 174.900 -0.095 0.000 0.997 102 G CA 1.252 46.285 45.100 -0.111 0.000 0.621 102 G HN 1.331 nan 8.290 nan 0.000 0.534 103 Q N 0.597 120.341 119.800 -0.093 0.000 2.256 103 Q HA 0.440 4.779 4.340 -0.001 0.000 0.254 103 Q C 0.427 176.396 176.000 -0.052 0.000 0.916 103 Q CA -0.720 55.050 55.803 -0.054 0.000 0.932 103 Q CB 0.738 29.466 28.738 -0.017 0.000 1.207 103 Q HN 0.498 nan 8.270 nan 0.000 0.426 104 R N 4.711 125.178 120.500 -0.056 0.000 2.316 104 R HA 0.087 4.427 4.340 -0.001 0.000 0.314 104 R C 0.542 176.823 176.300 -0.031 0.000 1.069 104 R CA -0.202 55.861 56.100 -0.063 0.000 0.959 104 R CB 0.391 30.650 30.300 -0.069 0.000 0.987 104 R HN 0.634 nan 8.270 nan 0.000 0.446 105 I N 1.867 122.413 120.570 -0.041 0.000 2.628 105 I HA 0.173 4.342 4.170 -0.001 0.000 0.255 105 I C 0.376 176.505 176.117 0.019 0.000 1.119 105 I CA 0.773 62.074 61.300 0.001 0.000 1.448 105 I CB -0.820 37.213 38.000 0.055 0.000 1.133 105 I HN 0.667 nan 8.210 nan 0.000 0.438 106 D N -0.241 120.132 120.400 -0.046 0.000 2.653 106 D HA 0.351 4.991 4.640 -0.001 0.000 0.258 106 D C -1.209 175.072 176.300 -0.031 0.000 1.252 106 D CA -0.538 53.472 54.000 0.018 0.000 0.777 106 D CB 2.123 43.000 40.800 0.129 0.000 1.339 106 D HN -0.090 nan 8.370 nan 0.000 0.422 107 K N 1.410 121.863 120.400 0.088 0.000 2.565 107 K HA 0.425 4.744 4.320 -0.001 0.000 0.251 107 K C -1.508 175.152 176.600 0.100 0.000 0.956 107 K CA -0.608 55.698 56.287 0.032 0.000 0.809 107 K CB 0.877 33.355 32.500 -0.038 0.000 1.267 107 K HN 0.402 nan 8.250 nan 0.000 0.438 108 H N 1.509 120.588 119.070 0.014 0.000 2.595 108 H HA 0.493 5.049 4.556 -0.001 0.000 0.346 108 H C -0.892 174.228 175.328 -0.347 0.000 1.181 108 H CA -0.286 55.783 56.048 0.036 0.000 1.242 108 H CB 0.829 30.828 29.762 0.395 0.000 1.652 108 H HN 0.454 nan 8.280 nan 0.000 0.548 109 Y N -0.704 119.788 120.300 0.321 0.000 2.634 109 Y HA 0.174 4.723 4.550 -0.001 0.000 0.340 109 Y C 1.515 177.431 175.900 0.028 0.000 1.058 109 Y CA -0.967 57.212 58.100 0.131 0.000 1.081 109 Y CB 0.681 39.221 38.460 0.133 0.000 1.295 109 Y HN 0.420 nan 8.280 nan 0.000 0.487 110 N N 0.779 119.602 118.700 0.205 0.000 2.011 110 N HA -0.239 4.501 4.740 -0.001 0.000 0.199 110 N C 1.262 176.951 175.510 0.297 0.000 1.047 110 N CA 2.280 55.454 53.050 0.207 0.000 0.863 110 N CB -0.374 38.322 38.487 0.347 0.000 1.056 110 N HN 0.886 nan 8.380 nan 0.000 0.427 111 D N -0.044 120.531 120.400 0.293 0.000 2.221 111 D HA -0.152 4.487 4.640 -0.001 0.000 0.204 111 D C 1.824 178.218 176.300 0.156 0.000 0.982 111 D CA 0.690 54.825 54.000 0.226 0.000 0.857 111 D CB -0.121 40.840 40.800 0.268 0.000 0.934 111 D HN 0.460 nan 8.370 nan 0.000 0.475 112 W N -0.166 121.107 121.300 -0.045 0.000 2.378 112 W HA -0.233 4.426 4.660 -0.001 0.000 0.313 112 W C 1.295 177.818 176.519 0.007 0.000 1.197 112 W CA 0.406 57.571 57.345 -0.300 0.000 1.304 112 W CB -0.424 28.951 29.460 -0.142 0.000 1.148 112 W HN -0.093 nan 8.180 nan 0.000 0.494 113 F N 1.388 121.131 119.950 -0.344 0.000 2.120 113 F HA -0.222 4.305 4.527 -0.001 0.000 0.300 113 F C 2.678 178.275 175.800 -0.337 0.000 1.095 113 F CA 2.066 59.835 58.000 -0.386 0.000 1.249 113 F CB -1.505 37.454 39.000 -0.069 0.000 0.995 113 F HN -0.090 nan 8.300 nan 0.000 0.480 114 R N 0.008 120.499 120.500 -0.015 0.000 2.066 114 R HA -0.108 4.232 4.340 -0.001 0.000 0.232 114 R C 2.164 178.353 176.300 -0.185 0.000 1.131 114 R CA 2.104 58.127 56.100 -0.128 0.000 0.955 114 R CB -0.951 29.279 30.300 -0.117 0.000 0.851 114 R HN 0.161 nan 8.270 nan 0.000 0.432 115 T N -0.194 114.223 114.554 -0.228 0.000 2.777 115 T HA -0.166 4.184 4.350 -0.001 0.000 0.266 115 T C 1.332 175.733 174.700 -0.499 0.000 1.040 115 T CA 1.526 63.438 62.100 -0.312 0.000 1.141 115 T CB -0.509 68.191 68.868 -0.279 0.000 0.868 115 T HN 0.356 nan 8.240 nan 0.000 0.444 116 Y N 1.919 121.629 120.300 -0.983 0.000 2.224 116 Y HA -0.161 4.388 4.550 -0.001 0.000 0.289 116 Y C 2.177 177.763 175.900 -0.524 0.000 1.146 116 Y CA 1.642 59.190 58.100 -0.920 0.000 1.182 116 Y CB -0.355 37.265 38.460 -1.400 0.000 0.983 116 Y HN 0.191 nan 8.280 nan 0.000 0.524 117 D N -0.272 119.834 120.400 -0.489 0.000 2.123 117 D HA -0.133 4.506 4.640 -0.001 0.000 0.200 117 D C 2.187 178.253 176.300 -0.390 0.000 0.976 117 D CA 1.337 55.047 54.000 -0.484 0.000 0.831 117 D CB -0.288 40.239 40.800 -0.456 0.000 0.974 117 D HN 0.396 nan 8.370 nan 0.000 0.469 118 A N -0.308 122.314 122.820 -0.329 0.000 1.969 118 A HA -0.028 4.291 4.320 -0.001 0.000 0.218 118 A C 2.240 179.616 177.584 -0.345 0.000 1.169 118 A CA 0.897 52.784 52.037 -0.250 0.000 0.635 118 A CB -0.452 18.443 19.000 -0.174 0.000 0.810 118 A HN 0.358 nan 8.150 nan 0.000 0.445 119 L N -3.020 117.898 121.223 -0.508 0.000 2.262 119 L HA 0.158 4.498 4.340 -0.001 0.000 0.197 119 L C 1.608 177.884 176.870 -0.988 0.000 1.073 119 L CA 0.686 55.066 54.840 -0.767 0.000 0.800 119 L CB -0.045 41.446 42.059 -0.946 0.000 0.987 119 L HN 0.399 nan 8.230 nan 0.000 0.470 120 F N -0.772 118.749 119.950 -0.715 0.000 2.695 120 F HA 0.239 4.765 4.527 -0.001 0.000 0.303 120 F C 1.050 176.477 175.800 -0.621 0.000 1.091 120 F CA -0.320 57.244 58.000 -0.726 0.000 1.300 120 F CB 0.265 38.686 39.000 -0.965 0.000 1.071 120 F HN -0.127 nan 8.300 nan 0.000 0.578 121 R N 1.965 122.207 120.500 -0.431 0.000 2.664 121 R HA 0.739 5.079 4.340 -0.001 0.000 0.286 121 R C -0.671 175.523 176.300 -0.176 0.000 0.967 121 R CA -0.521 55.416 56.100 -0.272 0.000 0.933 121 R CB 1.293 31.412 30.300 -0.302 0.000 1.146 121 R HN 0.194 nan 8.270 nan 0.000 0.468 122 M N 0.883 120.425 119.600 -0.096 0.000 2.721 122 M HA 0.479 4.959 4.480 -0.001 0.000 0.271 122 M C -0.667 175.629 176.300 -0.006 0.000 1.259 122 M CA -0.781 54.486 55.300 -0.057 0.000 0.835 122 M CB 2.039 34.587 32.600 -0.087 0.000 1.689 122 M HN 0.834 nan 8.290 nan 0.000 0.470 123 N N -0.030 118.676 118.700 0.010 0.000 1.191 123 N HA -0.241 4.499 4.740 -0.001 0.000 0.120 123 N C -0.277 175.281 175.510 0.082 0.000 0.826 123 N CA 1.553 54.620 53.050 0.028 0.000 0.876 123 N CB -1.000 37.489 38.487 0.003 0.000 1.050 123 N HN 0.884 nan 8.380 nan 0.000 0.603 124 D N -0.072 120.375 120.400 0.079 0.000 2.219 124 D HA -0.076 4.564 4.640 -0.001 0.000 0.205 124 D C 1.349 177.736 176.300 0.146 0.000 0.970 124 D CA 1.269 55.352 54.000 0.138 0.000 0.851 124 D CB -0.581 40.277 40.800 0.096 0.000 0.943 124 D HN 0.400 nan 8.370 nan 0.000 0.488 125 D N 0.367 120.819 120.400 0.087 0.000 2.117 125 D HA -0.136 4.503 4.640 -0.001 0.000 0.197 125 D C 1.978 178.343 176.300 0.108 0.000 0.987 125 D CA 0.820 54.862 54.000 0.070 0.000 0.829 125 D CB 0.114 40.931 40.800 0.029 0.000 0.961 125 D HN 0.017 nan 8.370 nan 0.000 0.460 126 R N -1.301 119.268 120.500 0.114 0.000 2.115 126 R HA -0.163 4.176 4.340 -0.001 0.000 0.226 126 R C 1.991 178.451 176.300 0.268 0.000 1.100 126 R CA 0.842 57.036 56.100 0.156 0.000 0.980 126 R CB -0.367 29.993 30.300 0.099 0.000 0.875 126 R HN 0.315 nan 8.270 nan 0.000 0.445 127 Y N 1.234 121.606 120.300 0.121 0.000 2.286 127 Y HA -0.078 4.472 4.550 -0.001 0.000 0.293 127 Y C 1.878 177.836 175.900 0.097 0.000 1.124 127 Y CA 1.617 59.782 58.100 0.109 0.000 1.178 127 Y CB -0.551 37.950 38.460 0.069 0.000 1.010 127 Y HN 0.128 nan 8.280 nan 0.000 0.536 128 N N -1.064 117.601 118.700 -0.058 0.000 2.120 128 N HA -0.293 4.447 4.740 -0.001 0.000 0.188 128 N C 1.964 177.418 175.510 -0.093 0.000 1.024 128 N CA 1.279 54.238 53.050 -0.151 0.000 0.852 128 N CB -0.504 37.970 38.487 -0.022 0.000 1.003 128 N HN 0.487 nan 8.380 nan 0.000 0.424 129 Y N 1.884 122.149 120.300 -0.059 0.000 2.165 129 Y HA -0.167 4.382 4.550 -0.001 0.000 0.286 129 Y C 2.556 178.471 175.900 0.024 0.000 1.155 129 Y CA 1.617 59.721 58.100 0.008 0.000 1.164 129 Y CB -0.340 38.155 38.460 0.058 0.000 0.978 129 Y HN -0.028 nan 8.280 nan 0.000 0.513 130 R N 0.051 120.527 120.500 -0.040 0.000 2.148 130 R HA -0.073 4.266 4.340 -0.001 0.000 0.223 130 R C 2.293 178.391 176.300 -0.337 0.000 1.088 130 R CA 0.936 56.899 56.100 -0.229 0.000 0.985 130 R CB -0.065 30.149 30.300 -0.143 0.000 0.880 130 R HN 0.341 nan 8.270 nan 0.000 0.451 131 R N -0.378 119.901 120.500 -0.367 0.000 2.092 131 R HA -0.030 4.310 4.340 -0.001 0.000 0.231 131 R C 2.175 178.357 176.300 -0.197 0.000 1.119 131 R CA 1.668 57.578 56.100 -0.317 0.000 0.970 131 R CB -0.126 29.951 30.300 -0.371 0.000 0.864 131 R HN 0.237 nan 8.270 nan 0.000 0.440 132 M N -0.695 118.798 119.600 -0.178 0.000 2.394 132 M HA -0.064 4.415 4.480 -0.001 0.000 0.264 132 M C 1.403 177.699 176.300 -0.007 0.000 1.073 132 M CA 1.305 56.573 55.300 -0.052 0.000 1.111 132 M CB 0.293 32.862 32.600 -0.050 0.000 1.401 132 M HN 0.013 nan 8.290 nan 0.000 0.448 133 T N -0.055 114.375 114.554 -0.206 0.000 3.022 133 T HA 0.053 4.402 4.350 -0.001 0.000 0.250 133 T C -0.119 174.381 174.700 -0.333 0.000 1.060 133 T CA 0.320 62.274 62.100 -0.244 0.000 1.013 133 T CB 0.097 68.718 68.868 -0.412 0.000 0.982 133 T HN 0.504 nan 8.240 nan 0.000 0.508 134 D N -1.530 118.740 120.400 -0.217 0.000 2.792 134 D HA 0.023 4.662 4.640 -0.001 0.000 0.335 134 D C -1.345 174.909 176.300 -0.076 0.000 1.353 134 D CA -0.868 52.977 54.000 -0.259 0.000 0.839 134 D CB 0.048 40.648 40.800 -0.333 0.000 1.396 134 D HN -0.006 nan 8.370 nan 0.000 0.479 135 W N 0.822 122.215 121.300 0.155 0.000 2.304 135 W HA 0.377 5.036 4.660 -0.001 0.000 0.313 135 W C 1.110 177.649 176.519 0.033 0.000 1.323 135 W CA -0.533 56.874 57.345 0.103 0.000 1.223 135 W CB 1.213 30.734 29.460 0.102 0.000 1.237 135 W HN 0.350 nan 8.180 nan 0.000 0.535 136 V N 0.185 120.219 119.914 0.199 0.000 3.346 136 V HA 0.234 4.353 4.120 -0.001 0.000 0.309 136 V C 0.306 176.503 176.094 0.171 0.000 1.457 136 V CA 0.083 62.477 62.300 0.158 0.000 1.069 136 V CB -0.160 31.727 31.823 0.108 0.000 0.944 136 V HN 0.558 nan 8.190 nan 0.000 0.449 137 N N 2.634 121.438 118.700 0.173 0.000 2.338 137 N HA 0.204 4.944 4.740 -0.001 0.000 0.251 137 N C -0.318 175.256 175.510 0.106 0.000 1.199 137 N CA 0.177 53.306 53.050 0.132 0.000 0.879 137 N CB 0.296 38.852 38.487 0.117 0.000 1.159 137 N HN 0.551 nan 8.380 nan 0.000 0.514 138 N N 1.346 120.111 118.700 0.109 0.000 2.754 138 N HA -0.134 4.605 4.740 -0.001 0.000 0.248 138 N C -0.439 175.090 175.510 0.033 0.000 1.093 138 N CA 0.835 53.926 53.050 0.068 0.000 0.699 138 N CB -1.105 37.413 38.487 0.051 0.000 1.016 138 N HN 0.485 nan 8.380 nan 0.000 0.552 139 E N 0.609 120.828 120.200 0.032 0.000 2.422 139 E HA 0.229 4.579 4.350 -0.001 0.000 0.260 139 E C 1.096 177.620 176.600 -0.127 0.000 1.108 139 E CA 0.121 56.489 56.400 -0.053 0.000 0.943 139 E CB 1.146 30.776 29.700 -0.116 0.000 0.961 139 E HN 0.345 nan 8.360 nan 0.000 0.443 140 L N 0.165 121.307 121.223 -0.134 0.000 2.347 140 L HA 0.350 4.690 4.340 -0.001 0.000 0.268 140 L C 0.309 177.067 176.870 -0.186 0.000 1.019 140 L CA -1.508 53.253 54.840 -0.131 0.000 0.806 140 L CB 0.781 42.794 42.059 -0.077 0.000 1.339 140 L HN 0.207 nan 8.230 nan 0.000 0.463 141 V N 1.022 120.845 119.914 -0.151 0.000 2.953 141 V HA 0.039 4.159 4.120 -0.001 0.000 0.304 141 V C 1.311 177.322 176.094 -0.137 0.000 1.138 141 V CA 1.773 63.980 62.300 -0.154 0.000 1.266 141 V CB 0.253 32.013 31.823 -0.105 0.000 0.923 141 V HN 1.061 nan 8.190 nan 0.000 0.505 142 G N 2.765 111.483 108.800 -0.137 0.000 2.212 142 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.266 142 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.266 142 G C 0.443 175.300 174.900 -0.072 0.000 0.978 142 G CA 0.267 45.316 45.100 -0.085 0.000 0.632 142 G HN 1.766 nan 8.290 nan 0.000 0.537 143 A N 0.211 122.947 122.820 -0.140 0.000 2.454 143 A HA 0.596 4.916 4.320 -0.001 0.000 0.260 143 A C 0.465 178.095 177.584 0.077 0.000 1.106 143 A CA 0.904 52.897 52.037 -0.073 0.000 0.780 143 A CB 0.436 19.326 19.000 -0.183 0.000 1.044 143 A HN 0.703 nan 8.150 nan 0.000 0.498 144 Q N 2.087 121.996 119.800 0.181 0.000 2.307 144 Q HA 0.531 4.870 4.340 -0.001 0.000 0.262 144 Q C -0.745 175.403 176.000 0.248 0.000 0.961 144 Q CA -0.494 55.468 55.803 0.265 0.000 0.882 144 Q CB 0.977 29.796 28.738 0.135 0.000 1.264 144 Q HN 0.747 nan 8.270 nan 0.000 0.446 145 K N 2.543 123.072 120.400 0.215 0.000 2.435 145 K HA 0.440 4.760 4.320 -0.001 0.000 0.251 145 K C -1.079 175.100 176.600 -0.702 0.000 0.954 145 K CA -0.879 55.216 56.287 -0.321 0.000 0.820 145 K CB 1.582 33.643 32.500 -0.731 0.000 1.292 145 K HN 0.433 nan 8.250 nan 0.000 0.436 146 R N 2.955 123.022 120.500 -0.722 0.000 2.207 146 R HA 0.299 4.638 4.340 -0.001 0.000 0.334 146 R C -1.205 174.538 176.300 -0.929 0.000 1.013 146 R CA -0.200 55.515 56.100 -0.642 0.000 0.858 146 R CB -0.141 29.932 30.300 -0.378 0.000 1.094 146 R HN 0.428 nan 8.270 nan 0.000 0.457 147 F N 3.366 123.073 119.950 -0.405 0.000 2.458 147 F HA 0.396 4.922 4.527 -0.001 0.000 0.330 147 F C -0.210 175.301 175.800 -0.481 0.000 1.082 147 F CA -0.769 57.029 58.000 -0.337 0.000 0.995 147 F CB 1.254 40.127 39.000 -0.212 0.000 1.170 147 F HN 0.321 nan 8.300 nan 0.000 0.478 148 Y N 1.475 121.813 120.300 0.063 0.000 2.363 148 Y HA 0.528 5.078 4.550 -0.001 0.000 0.325 148 Y C -0.710 175.215 175.900 0.042 0.000 0.984 148 Y CA -1.189 56.915 58.100 0.006 0.000 1.248 148 Y CB 1.452 39.875 38.460 -0.063 0.000 1.116 148 Y HN 0.205 nan 8.280 nan 0.000 0.470 149 V N 6.228 126.260 119.914 0.196 0.000 2.333 149 V HA 0.371 4.490 4.120 -0.001 0.000 0.274 149 V C -2.206 174.027 176.094 0.231 0.000 1.028 149 V CA -2.009 60.436 62.300 0.243 0.000 0.851 149 V CB 1.162 33.180 31.823 0.325 0.000 1.000 149 V HN 0.499 nan 8.190 nan 0.000 0.456 150 P HA 0.354 nan 4.420 nan 0.000 0.286 150 P C -0.537 176.766 177.300 0.005 0.000 1.269 150 P CA -0.324 62.833 63.100 0.094 0.000 0.787 150 P CB 1.394 33.130 31.700 0.059 0.000 0.920 151 L N 4.403 125.610 121.223 -0.028 0.000 2.436 151 L HA 0.337 4.676 4.340 -0.001 0.000 0.265 151 L C 1.504 178.126 176.870 -0.413 0.000 1.168 151 L CA -0.491 54.252 54.840 -0.162 0.000 0.815 151 L CB 0.421 42.435 42.059 -0.075 0.000 1.109 151 L HN 0.403 nan 8.230 nan 0.000 0.462 152 I N -1.768 118.433 120.570 -0.615 0.000 3.283 152 I HA 0.311 4.480 4.170 -0.001 0.000 0.342 152 I C -0.364 175.529 176.117 -0.373 0.000 1.510 152 I CA -0.399 60.553 61.300 -0.580 0.000 1.006 152 I CB -0.171 37.292 38.000 -0.894 0.000 1.596 152 I HN 0.241 nan 8.210 nan 0.000 0.509 153 F N 1.048 120.837 119.950 -0.269 0.000 2.378 153 F HA 0.274 4.800 4.527 -0.001 0.000 0.319 153 F C 1.686 177.255 175.800 -0.385 0.000 1.155 153 F CA -0.869 56.945 58.000 -0.310 0.000 1.157 153 F CB 0.523 39.183 39.000 -0.567 0.000 1.252 153 F HN 0.236 nan 8.300 nan 0.000 0.550 154 F N 0.427 120.471 119.950 0.157 0.000 2.115 154 F HA -0.303 4.223 4.527 -0.001 0.000 0.300 154 F C 1.731 177.585 175.800 0.089 0.000 1.092 154 F CA 1.199 59.268 58.000 0.116 0.000 1.245 154 F CB -1.764 37.339 39.000 0.173 0.000 0.995 154 F HN 0.336 nan 8.300 nan 0.000 0.481 155 F N -0.148 119.401 119.950 -0.669 0.000 2.780 155 F HA 0.297 4.823 4.527 -0.001 0.000 0.299 155 F C 1.486 177.161 175.800 -0.208 0.000 1.146 155 F CA 0.139 57.923 58.000 -0.359 0.000 1.428 155 F CB -1.033 37.630 39.000 -0.561 0.000 1.115 155 F HN -0.088 nan 8.300 nan 0.000 0.583 156 N N 0.753 118.989 118.700 -0.774 0.000 2.415 156 N HA -0.041 4.698 4.740 -0.001 0.000 0.176 156 N C 1.318 176.670 175.510 -0.264 0.000 1.042 156 N CA 0.686 53.416 53.050 -0.533 0.000 0.902 156 N CB -0.170 37.968 38.487 -0.581 0.000 0.986 156 N HN 0.579 nan 8.380 nan 0.000 0.447 157 Q N -0.252 119.435 119.800 -0.189 0.000 2.392 157 Q HA 0.153 4.493 4.340 -0.001 0.000 0.203 157 Q C -0.315 175.670 176.000 -0.025 0.000 0.917 157 Q CA 0.596 56.342 55.803 -0.095 0.000 0.939 157 Q CB 0.781 29.479 28.738 -0.067 0.000 1.063 157 Q HN 0.052 nan 8.270 nan 0.000 0.516 158 T N 1.006 115.561 114.554 0.001 0.000 3.295 158 T HA 0.141 4.490 4.350 -0.001 0.000 0.331 158 T C -2.433 172.292 174.700 0.041 0.000 1.142 158 T CA -0.940 61.181 62.100 0.036 0.000 1.078 158 T CB 2.176 71.096 68.868 0.087 0.000 1.150 158 T HN -0.160 nan 8.240 nan 0.000 0.465 159 P HA -0.004 nan 4.420 nan 0.000 0.225 159 P C 1.492 178.812 177.300 0.032 0.000 1.148 159 P CA 0.625 63.715 63.100 -0.016 0.000 0.779 159 P CB -0.075 31.576 31.700 -0.081 0.000 0.780 160 G N -0.094 108.749 108.800 0.073 0.000 2.598 160 G HA2 -0.062 3.897 3.960 -0.001 0.000 0.215 160 G HA3 -0.062 3.897 3.960 -0.001 0.000 0.215 160 G C 1.232 176.273 174.900 0.235 0.000 1.131 160 G CA 0.123 45.298 45.100 0.124 0.000 0.785 160 G HN 0.276 nan 8.290 nan 0.000 0.539 161 L N 0.758 122.133 121.223 0.254 0.000 3.014 161 L HA 0.413 4.752 4.340 -0.001 0.000 0.263 161 L C 1.242 178.265 176.870 0.255 0.000 1.207 161 L CA -0.719 54.350 54.840 0.382 0.000 1.017 161 L CB 0.494 42.817 42.059 0.439 0.000 1.360 161 L HN 0.120 nan 8.230 nan 0.000 0.560 162 A N 1.344 124.259 122.820 0.158 0.000 2.580 162 A HA 0.009 4.329 4.320 -0.001 0.000 0.244 162 A C 0.274 177.790 177.584 -0.114 0.000 1.045 162 A CA 0.097 52.154 52.037 0.033 0.000 0.761 162 A CB 0.102 19.076 19.000 -0.042 0.000 0.962 162 A HN 0.261 nan 8.150 nan 0.000 0.512 163 L N 6.361 127.446 121.223 -0.230 0.000 2.456 163 L HA 0.236 4.576 4.340 -0.001 0.000 0.277 163 L C -1.917 174.753 176.870 -0.333 0.000 1.124 163 L CA -1.459 53.135 54.840 -0.410 0.000 0.880 163 L CB 1.057 42.661 42.059 -0.759 0.000 1.192 163 L HN 0.460 nan 8.230 nan 0.000 0.463 164 P HA 0.073 nan 4.420 nan 0.000 0.271 164 P C 0.777 177.995 177.300 -0.136 0.000 1.380 164 P CA -0.222 62.763 63.100 -0.192 0.000 0.992 164 P CB 0.596 32.314 31.700 0.029 0.000 1.230 165 L N 3.837 124.962 121.223 -0.164 0.000 2.201 165 L HA -0.121 4.219 4.340 -0.001 0.000 0.212 165 L C 2.362 179.184 176.870 -0.080 0.000 1.105 165 L CA 1.204 55.976 54.840 -0.114 0.000 0.775 165 L CB -0.606 41.400 42.059 -0.089 0.000 0.913 165 L HN 0.317 nan 8.230 nan 0.000 0.440 166 I N -3.069 117.456 120.570 -0.075 0.000 3.001 166 I HA -0.024 4.146 4.170 -0.001 0.000 0.268 166 I C 2.057 178.174 176.117 0.001 0.000 1.267 166 I CA 0.982 62.259 61.300 -0.038 0.000 1.472 166 I CB -0.412 37.578 38.000 -0.018 0.000 1.089 166 I HN 0.054 nan 8.210 nan 0.000 0.468 167 A N 1.044 123.890 122.820 0.043 0.000 2.348 167 A HA 0.478 4.798 4.320 -0.001 0.000 0.224 167 A C 1.453 179.040 177.584 0.005 0.000 1.227 167 A CA -0.059 52.038 52.037 0.101 0.000 0.885 167 A CB -0.100 19.085 19.000 0.308 0.000 0.933 167 A HN 0.473 nan 8.150 nan 0.000 0.506 168 L N -0.187 121.005 121.223 -0.052 0.000 3.209 168 L HA 0.183 4.522 4.340 -0.001 0.000 0.279 168 L C 1.635 178.433 176.870 -0.120 0.000 1.301 168 L CA -0.020 54.779 54.840 -0.068 0.000 1.004 168 L CB 0.310 42.354 42.059 -0.025 0.000 1.402 168 L HN 0.555 nan 8.230 nan 0.000 0.577 169 Q N 0.328 119.965 119.800 -0.273 0.000 2.389 169 Q HA -0.209 4.131 4.340 -0.001 0.000 0.213 169 Q C 0.769 176.503 176.000 -0.444 0.000 0.989 169 Q CA 2.068 57.614 55.803 -0.429 0.000 0.891 169 Q CB 0.081 28.412 28.738 -0.679 0.000 0.923 169 Q HN 0.677 nan 8.270 nan 0.000 0.455 170 Y N -2.498 117.840 120.300 0.063 0.000 2.453 170 Y HA 0.227 4.777 4.550 -0.001 0.000 0.247 170 Y C -0.092 175.947 175.900 0.232 0.000 1.124 170 Y CA -0.858 57.307 58.100 0.109 0.000 1.243 170 Y CB 0.786 39.301 38.460 0.091 0.000 1.213 170 Y HN 0.057 nan 8.280 nan 0.000 0.523 171 H N 1.633 120.748 119.070 0.076 0.000 2.504 171 H HA 0.251 4.806 4.556 -0.001 0.000 0.322 171 H C -0.585 174.744 175.328 0.002 0.000 1.055 171 H CA -1.605 54.468 56.048 0.041 0.000 1.231 171 H CB 0.804 30.580 29.762 0.023 0.000 1.417 171 H HN 0.217 nan 8.280 nan 0.000 0.472 172 E N 1.827 122.046 120.200 0.030 0.000 2.289 172 E HA 0.395 4.744 4.350 -0.001 0.000 0.278 172 E C -0.873 175.712 176.600 -0.026 0.000 1.032 172 E CA -0.773 55.627 56.400 -0.001 0.000 0.854 172 E CB 0.921 30.615 29.700 -0.010 0.000 1.046 172 E HN 0.129 nan 8.360 nan 0.000 0.409 173 V N 4.190 124.079 119.914 -0.042 0.000 2.383 173 V HA 0.312 4.431 4.120 -0.001 0.000 0.275 173 V C 0.149 176.200 176.094 -0.070 0.000 1.036 173 V CA -0.551 61.702 62.300 -0.078 0.000 0.889 173 V CB 0.434 32.172 31.823 -0.141 0.000 0.985 173 V HN 0.638 nan 8.190 nan 0.000 0.459 174 K N 4.613 124.981 120.400 -0.053 0.000 2.400 174 K HA 0.816 5.136 4.320 -0.001 0.000 0.246 174 K C -1.462 175.083 176.600 -0.092 0.000 0.995 174 K CA -0.924 55.314 56.287 -0.082 0.000 0.840 174 K CB 2.776 35.244 32.500 -0.052 0.000 1.293 174 K HN 0.403 nan 8.250 nan 0.000 0.445 175 L N 1.976 123.063 121.223 -0.226 0.000 2.436 175 L HA 0.443 4.783 4.340 -0.001 0.000 0.268 175 L C -1.656 174.931 176.870 -0.473 0.000 0.974 175 L CA -0.873 53.804 54.840 -0.271 0.000 0.826 175 L CB 1.423 43.337 42.059 -0.243 0.000 1.291 175 L HN 0.556 nan 8.230 nan 0.000 0.406 176 Y N 2.719 122.785 120.300 -0.390 0.000 2.338 176 Y HA 0.509 5.058 4.550 -0.001 0.000 0.328 176 Y C -0.471 175.235 175.900 -0.323 0.000 0.965 176 Y CA -0.694 57.270 58.100 -0.226 0.000 1.208 176 Y CB 1.118 39.510 38.460 -0.112 0.000 1.132 176 Y HN 0.232 nan 8.280 nan 0.000 0.469 177 F N 0.875 120.898 119.950 0.121 0.000 2.432 177 F HA 0.685 5.211 4.527 -0.001 0.000 0.329 177 F C 0.322 176.183 175.800 0.102 0.000 1.076 177 F CA -0.831 57.230 58.000 0.102 0.000 1.018 177 F CB 1.810 40.859 39.000 0.082 0.000 1.201 177 F HN 0.172 nan 8.300 nan 0.000 0.489 178 T N 3.778 118.496 114.554 0.273 0.000 2.906 178 T HA 0.447 4.797 4.350 -0.001 0.000 0.302 178 T C -0.466 174.335 174.700 0.168 0.000 1.002 178 T CA -0.596 61.618 62.100 0.191 0.000 0.988 178 T CB 0.465 69.424 68.868 0.152 0.000 0.972 178 T HN 0.305 nan 8.240 nan 0.000 0.447 179 L N 2.514 123.822 121.223 0.141 0.000 2.349 179 L HA 0.603 4.942 4.340 -0.001 0.000 0.275 179 L C 1.114 178.040 176.870 0.094 0.000 1.115 179 L CA -0.957 53.935 54.840 0.086 0.000 0.820 179 L CB 0.489 42.563 42.059 0.024 0.000 1.135 179 L HN 0.651 nan 8.230 nan 0.000 0.445 180 A N 2.021 124.882 122.820 0.070 0.000 2.483 180 A HA 0.212 4.532 4.320 -0.001 0.000 0.238 180 A C 1.126 178.821 177.584 0.185 0.000 1.070 180 A CA 0.213 52.302 52.037 0.086 0.000 0.770 180 A CB 0.329 19.336 19.000 0.012 0.000 1.008 180 A HN 0.905 nan 8.150 nan 0.000 0.497 181 S N 0.646 116.417 115.700 0.118 0.000 2.486 181 S HA 0.100 4.569 4.470 -0.001 0.000 0.220 181 S C 0.405 174.991 174.600 -0.022 0.000 1.011 181 S CA 0.364 58.641 58.200 0.128 0.000 0.921 181 S CB -0.005 63.241 63.200 0.076 0.000 0.785 181 S HN 0.731 nan 8.310 nan 0.000 0.517 182 Q N 1.189 120.916 119.800 -0.122 0.000 2.337 182 Q HA 0.539 4.879 4.340 -0.001 0.000 0.260 182 Q C -1.895 173.997 176.000 -0.179 0.000 0.982 182 Q CA -0.419 55.222 55.803 -0.270 0.000 0.734 182 Q CB 2.464 30.817 28.738 -0.641 0.000 1.272 182 Q HN 0.117 nan 8.270 nan 0.000 0.461 183 V N 2.454 122.274 119.914 -0.157 0.000 2.357 183 V HA 0.164 4.284 4.120 -0.001 0.000 0.284 183 V C 0.025 176.065 176.094 -0.089 0.000 1.018 183 V CA -0.754 61.479 62.300 -0.112 0.000 0.841 183 V CB 1.561 33.354 31.823 -0.050 0.000 0.991 183 V HN 0.680 nan 8.190 nan 0.000 0.437 184 Q N 3.742 123.486 119.800 -0.094 0.000 2.286 184 Q HA 0.379 4.719 4.340 -0.001 0.000 0.290 184 Q C 1.136 177.053 176.000 -0.138 0.000 1.049 184 Q CA 1.456 57.171 55.803 -0.145 0.000 0.923 184 Q CB 0.451 29.063 28.738 -0.209 0.000 1.183 184 Q HN 1.248 nan 8.270 nan 0.000 0.383 185 G N 1.961 110.658 108.800 -0.172 0.000 2.159 185 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.256 185 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.256 185 G C 0.239 175.084 174.900 -0.092 0.000 0.977 185 G CA 0.264 45.281 45.100 -0.140 0.000 0.652 185 G HN 0.622 nan 8.290 nan 0.000 0.531 186 V N -0.810 119.071 119.914 -0.055 0.000 3.658 186 V HA 0.233 4.352 4.120 -0.001 0.000 0.197 186 V C 1.944 177.991 176.094 -0.078 0.000 1.295 186 V CA 1.329 63.629 62.300 -0.000 0.000 1.298 186 V CB -0.132 31.764 31.823 0.121 0.000 1.347 186 V HN 0.215 nan 8.190 nan 0.000 0.548 187 N N -1.250 117.347 118.700 -0.170 0.000 2.197 187 N HA 0.050 4.789 4.740 -0.001 0.000 0.184 187 N C 0.020 175.374 175.510 -0.261 0.000 1.030 187 N CA 1.263 54.103 53.050 -0.350 0.000 0.851 187 N CB 0.104 38.226 38.487 -0.608 0.000 1.003 187 N HN 0.456 nan 8.380 nan 0.000 0.430 188 Y N -1.437 118.716 120.300 -0.245 0.000 2.693 188 Y HA 0.471 5.021 4.550 -0.001 0.000 0.331 188 Y C -0.533 175.264 175.900 -0.172 0.000 1.092 188 Y CA -1.328 56.664 58.100 -0.180 0.000 1.131 188 Y CB 1.012 39.378 38.460 -0.157 0.000 1.318 188 Y HN -0.123 nan 8.280 nan 0.000 0.510 189 N N 0.343 119.069 118.700 0.042 0.000 2.707 189 N HA 0.457 5.197 4.740 -0.001 0.000 0.249 189 N C -0.180 175.336 175.510 0.010 0.000 1.299 189 N CA 0.644 53.662 53.050 -0.053 0.000 0.769 189 N CB 0.475 38.926 38.487 -0.059 0.000 1.236 189 N HN 0.987 nan 8.380 nan 0.000 0.524 190 G N 1.459 110.259 108.800 0.000 0.000 2.520 190 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.248 190 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.248 190 G C 0.695 175.638 174.900 0.070 0.000 1.161 190 G CA 0.296 45.436 45.100 0.068 0.000 0.946 190 G HN 0.993 nan 8.290 nan 0.000 0.565 191 S N -0.412 115.337 115.700 0.080 0.000 2.558 191 S HA 0.467 4.936 4.470 -0.001 0.000 0.217 191 S C 0.931 175.664 174.600 0.221 0.000 0.975 191 S CA 1.153 59.403 58.200 0.083 0.000 0.912 191 S CB 0.335 63.564 63.200 0.049 0.000 0.776 191 S HN 1.159 nan 8.310 nan 0.000 0.526 192 S N 2.525 118.339 115.700 0.189 0.000 2.465 192 S HA 0.673 5.142 4.470 -0.001 0.000 0.279 192 S C 0.262 174.883 174.600 0.035 0.000 1.201 192 S CA -0.676 57.597 58.200 0.121 0.000 1.053 192 S CB 1.037 64.258 63.200 0.035 0.000 0.953 192 S HN 0.629 nan 8.310 nan 0.000 0.488 193 A N 3.901 126.582 122.820 -0.231 0.000 2.440 193 A HA 0.425 4.745 4.320 -0.001 0.000 0.251 193 A C 0.111 177.438 177.584 -0.428 0.000 1.089 193 A CA -0.377 51.154 52.037 -0.843 0.000 0.779 193 A CB -0.167 18.300 19.000 -0.887 0.000 1.022 193 A HN 0.859 nan 8.150 nan 0.000 0.492 194 I N 2.549 122.865 120.570 -0.423 0.000 2.337 194 I HA 0.271 4.441 4.170 -0.001 0.000 0.291 194 I C 1.045 177.038 176.117 -0.207 0.000 1.046 194 I CA -0.048 61.108 61.300 -0.239 0.000 1.324 194 I CB 0.964 38.848 38.000 -0.193 0.000 1.409 194 I HN 0.752 nan 8.210 nan 0.000 0.494 195 A N 4.767 127.499 122.820 -0.147 0.000 2.483 195 A HA 0.452 4.771 4.320 -0.001 0.000 0.238 195 A C 1.371 178.905 177.584 -0.083 0.000 1.070 195 A CA 0.574 52.545 52.037 -0.110 0.000 0.770 195 A CB -0.025 18.927 19.000 -0.080 0.000 1.008 195 A HN 1.183 nan 8.150 nan 0.000 0.497 196 G N 0.525 109.287 108.800 -0.063 0.000 2.245 196 G HA2 0.084 4.043 3.960 -0.001 0.000 0.264 196 G HA3 0.084 4.043 3.960 -0.001 0.000 0.264 196 G C 0.777 175.661 174.900 -0.026 0.000 0.985 196 G CA 0.644 45.722 45.100 -0.037 0.000 0.625 196 G HN 2.384 nan 8.290 nan 0.000 0.536 197 A N 0.543 123.333 122.820 -0.051 0.000 2.572 197 A HA 0.529 4.849 4.320 -0.001 0.000 0.256 197 A C 1.180 178.797 177.584 0.055 0.000 1.041 197 A CA 1.450 53.473 52.037 -0.024 0.000 0.790 197 A CB -0.204 18.734 19.000 -0.103 0.000 0.947 197 A HN 2.183 nan 8.150 nan 0.000 0.518 198 A N 3.660 126.535 122.820 0.092 0.000 2.386 198 A HA 0.519 4.839 4.320 -0.001 0.000 0.248 198 A C 0.764 178.477 177.584 0.215 0.000 1.082 198 A CA -0.378 51.731 52.037 0.119 0.000 0.789 198 A CB 0.184 19.240 19.000 0.093 0.000 1.025 198 A HN 1.072 nan 8.150 nan 0.000 0.490 199 Q N 1.802 121.692 119.800 0.150 0.000 2.368 199 Q HA 0.455 4.794 4.340 -0.001 0.000 0.237 199 Q C -2.674 173.285 176.000 -0.067 0.000 0.987 199 Q CA -1.860 53.990 55.803 0.079 0.000 0.896 199 Q CB -0.270 28.483 28.738 0.025 0.000 1.241 199 Q HN 0.505 nan 8.270 nan 0.000 0.485 200 P HA 0.187 nan 4.420 nan 0.000 0.284 200 P C -0.774 176.485 177.300 -0.067 0.000 1.253 200 P CA -0.306 62.656 63.100 -0.231 0.000 0.800 200 P CB 0.958 32.347 31.700 -0.519 0.000 0.961 201 T N 3.233 117.811 114.554 0.040 0.000 2.837 201 T HA 0.543 4.893 4.350 -0.001 0.000 0.285 201 T C -0.028 174.721 174.700 0.081 0.000 0.984 201 T CA -0.248 61.875 62.100 0.038 0.000 1.049 201 T CB 0.329 69.215 68.868 0.030 0.000 0.947 201 T HN 0.424 nan 8.240 nan 0.000 0.472 202 M N 2.634 122.221 119.600 -0.022 0.000 2.518 202 M HA 0.671 5.151 4.480 -0.001 0.000 0.300 202 M C -1.187 174.985 176.300 -0.212 0.000 1.175 202 M CA -0.488 54.701 55.300 -0.185 0.000 0.890 202 M CB 2.025 34.510 32.600 -0.191 0.000 1.710 202 M HN 0.588 nan 8.290 nan 0.000 0.453 203 S N 2.492 118.019 115.700 -0.288 0.000 2.546 203 S HA 0.744 5.214 4.470 -0.001 0.000 0.272 203 S C -1.886 172.620 174.600 -0.155 0.000 1.140 203 S CA -0.585 57.528 58.200 -0.144 0.000 0.920 203 S CB 1.815 65.069 63.200 0.089 0.000 1.083 203 S HN 0.559 nan 8.310 nan 0.000 0.476 204 V N 4.458 124.248 119.914 -0.206 0.000 2.409 204 V HA 0.605 4.724 4.120 -0.001 0.000 0.291 204 V C -1.211 174.780 176.094 -0.171 0.000 1.020 204 V CA -0.482 61.737 62.300 -0.135 0.000 0.848 204 V CB 1.203 32.935 31.823 -0.151 0.000 0.990 204 V HN 0.882 nan 8.190 nan 0.000 0.430 205 W N 3.209 124.499 121.300 -0.016 0.000 2.702 205 W HA 0.766 5.426 4.660 -0.001 0.000 0.331 205 W C -0.717 175.822 176.519 0.033 0.000 1.049 205 W CA -0.679 56.684 57.345 0.030 0.000 1.230 205 W CB 2.064 31.547 29.460 0.038 0.000 1.408 205 W HN 0.295 nan 8.180 nan 0.000 0.492 206 V N 3.118 123.164 119.914 0.220 0.000 2.540 206 V HA 0.283 4.403 4.120 -0.001 0.000 0.302 206 V C -0.769 175.330 176.094 0.008 0.000 1.035 206 V CA -0.970 61.348 62.300 0.030 0.000 0.873 206 V CB 1.754 33.472 31.823 -0.176 0.000 0.992 206 V HN 0.322 nan 8.190 nan 0.000 0.428 207 D N 3.411 123.779 120.400 -0.053 0.000 2.295 207 D HA 0.444 5.084 4.640 -0.001 0.000 0.248 207 D C -0.855 175.354 176.300 -0.151 0.000 1.154 207 D CA 0.327 54.339 54.000 0.019 0.000 0.857 207 D CB 0.764 41.587 40.800 0.039 0.000 1.117 207 D HN 0.406 nan 8.370 nan 0.000 0.468 208 Y N 1.339 121.646 120.300 0.013 0.000 2.409 208 Y HA 0.467 5.016 4.550 -0.001 0.000 0.339 208 Y C 0.069 175.857 175.900 -0.186 0.000 1.033 208 Y CA -1.101 56.898 58.100 -0.168 0.000 1.094 208 Y CB 1.079 39.331 38.460 -0.348 0.000 1.210 208 Y HN 0.160 nan 8.280 nan 0.000 0.456 209 I N 3.685 124.184 120.570 -0.119 0.000 2.354 209 I HA 0.269 4.439 4.170 -0.001 0.000 0.292 209 I C -1.030 174.970 176.117 -0.195 0.000 0.989 209 I CA -0.620 60.660 61.300 -0.034 0.000 1.188 209 I CB 0.283 38.229 38.000 -0.089 0.000 1.342 209 I HN 0.310 nan 8.210 nan 0.000 0.457 210 F N 6.496 126.533 119.950 0.145 0.000 2.385 210 F HA 0.510 5.037 4.527 -0.001 0.000 0.360 210 F C 0.171 176.046 175.800 0.125 0.000 1.122 210 F CA -0.469 57.590 58.000 0.099 0.000 1.090 210 F CB 0.591 39.641 39.000 0.082 0.000 1.150 210 F HN 0.169 nan 8.300 nan 0.000 0.472 211 L N 1.721 123.056 121.223 0.186 0.000 2.400 211 L HA 0.423 4.762 4.340 -0.001 0.000 0.264 211 L C -0.097 176.881 176.870 0.179 0.000 1.061 211 L CA -0.922 54.024 54.840 0.177 0.000 0.799 211 L CB 1.072 43.180 42.059 0.081 0.000 1.240 211 L HN 0.468 nan 8.230 nan 0.000 0.461 212 D N -0.932 119.573 120.400 0.174 0.000 2.312 212 D HA 0.112 4.751 4.640 -0.001 0.000 0.248 212 D C 0.953 177.326 176.300 0.122 0.000 1.086 212 D CA -0.181 53.902 54.000 0.138 0.000 0.948 212 D CB 1.499 42.377 40.800 0.130 0.000 1.162 212 D HN 0.519 nan 8.370 nan 0.000 0.446 213 T N 1.128 115.740 114.554 0.097 0.000 2.594 213 T HA -0.314 4.036 4.350 -0.001 0.000 0.266 213 T C 1.570 176.327 174.700 0.095 0.000 1.070 213 T CA 2.032 64.183 62.100 0.086 0.000 1.166 213 T CB -0.444 68.463 68.868 0.065 0.000 0.862 213 T HN 0.472 nan 8.240 nan 0.000 0.436 214 Q N 0.905 120.760 119.800 0.091 0.000 1.998 214 Q HA -0.181 4.158 4.340 -0.001 0.000 0.209 214 Q C 2.162 178.234 176.000 0.120 0.000 1.002 214 Q CA 2.339 58.196 55.803 0.091 0.000 0.858 214 Q CB -0.373 28.415 28.738 0.083 0.000 0.932 214 Q HN 0.689 nan 8.270 nan 0.000 0.416 215 E N -1.019 119.276 120.200 0.159 0.000 2.274 215 E HA -0.139 4.210 4.350 -0.001 0.000 0.194 215 E C 1.837 178.627 176.600 0.317 0.000 0.996 215 E CA 0.367 56.909 56.400 0.237 0.000 0.840 215 E CB 0.100 29.970 29.700 0.283 0.000 0.772 215 E HN 0.262 nan 8.360 nan 0.000 0.491 216 R N -0.509 120.123 120.500 0.219 0.000 2.075 216 R HA -0.044 4.295 4.340 -0.001 0.000 0.232 216 R C 2.304 178.721 176.300 0.194 0.000 1.126 216 R CA 1.714 57.932 56.100 0.196 0.000 0.963 216 R CB -0.289 30.085 30.300 0.123 0.000 0.858 216 R HN 0.097 nan 8.270 nan 0.000 0.435 217 T N 0.781 115.422 114.554 0.145 0.000 2.867 217 T HA -0.076 4.274 4.350 -0.001 0.000 0.268 217 T C 1.716 176.484 174.700 0.113 0.000 1.057 217 T CA 1.144 63.310 62.100 0.109 0.000 1.136 217 T CB -0.048 68.866 68.868 0.077 0.000 0.874 217 T HN 0.289 nan 8.240 nan 0.000 0.466 218 R N -0.163 120.416 120.500 0.131 0.000 2.075 218 R HA 0.126 4.466 4.340 -0.001 0.000 0.226 218 R C 2.000 178.375 176.300 0.125 0.000 1.114 218 R CA 0.909 57.056 56.100 0.078 0.000 0.972 218 R CB -0.418 29.903 30.300 0.034 0.000 0.869 218 R HN 0.335 nan 8.270 nan 0.000 0.437 219 F N 0.720 120.773 119.950 0.173 0.000 2.451 219 F HA -0.060 4.466 4.527 -0.001 0.000 0.299 219 F C 2.230 178.191 175.800 0.268 0.000 1.101 219 F CA 1.019 59.189 58.000 0.283 0.000 1.436 219 F CB 0.155 39.218 39.000 0.106 0.000 1.074 219 F HN 0.078 nan 8.300 nan 0.000 0.553 220 A N -1.636 121.358 122.820 0.289 0.000 2.197 220 A HA 0.049 4.368 4.320 -0.001 0.000 0.210 220 A C 2.034 179.666 177.584 0.079 0.000 1.180 220 A CA 0.217 52.350 52.037 0.160 0.000 0.846 220 A CB 0.012 19.078 19.000 0.109 0.000 0.884 220 A HN 0.181 nan 8.150 nan 0.000 0.487 221 Q N -0.209 119.624 119.800 0.055 0.000 2.178 221 Q HA 0.234 4.574 4.340 -0.001 0.000 0.195 221 Q C 0.506 176.461 176.000 -0.075 0.000 0.960 221 Q CA 0.544 56.345 55.803 -0.003 0.000 0.843 221 Q CB -0.144 28.595 28.738 0.002 0.000 0.927 221 Q HN 0.598 nan 8.270 nan 0.000 0.487 222 L N 2.034 123.168 121.223 -0.148 0.000 2.439 222 L HA 0.308 4.648 4.340 -0.001 0.000 0.261 222 L C -2.112 174.438 176.870 -0.532 0.000 1.153 222 L CA -1.950 52.721 54.840 -0.282 0.000 0.808 222 L CB -0.213 41.683 42.059 -0.273 0.000 1.126 222 L HN -0.071 nan 8.230 nan 0.000 0.460 223 P HA 0.241 nan 4.420 nan 0.000 0.278 223 P C -1.159 175.842 177.300 -0.498 0.000 1.238 223 P CA -0.099 62.786 63.100 -0.358 0.000 0.794 223 P CB 0.650 32.244 31.700 -0.177 0.000 0.955 224 H N 0.967 120.018 119.070 -0.032 0.000 2.637 224 H HA 0.436 4.992 4.556 -0.001 0.000 0.363 224 H C -0.448 174.846 175.328 -0.056 0.000 1.131 224 H CA -0.408 55.595 56.048 -0.076 0.000 1.183 224 H CB 2.027 31.836 29.762 0.079 0.000 1.637 224 H HN 0.439 nan 8.280 nan 0.000 0.531 225 E N 2.249 122.409 120.200 -0.067 0.000 2.244 225 E HA 0.260 4.609 4.350 -0.001 0.000 0.260 225 E C -1.191 175.291 176.600 -0.197 0.000 0.884 225 E CA -0.524 55.849 56.400 -0.046 0.000 0.777 225 E CB 1.929 31.600 29.700 -0.049 0.000 1.197 225 E HN 0.391 nan 8.360 nan 0.000 0.416 226 Y N 1.567 121.873 120.300 0.009 0.000 2.377 226 Y HA 0.268 4.817 4.550 -0.001 0.000 0.339 226 Y C -0.077 175.803 175.900 -0.034 0.000 1.011 226 Y CA -0.949 57.148 58.100 -0.005 0.000 1.093 226 Y CB 1.376 39.824 38.460 -0.019 0.000 1.201 226 Y HN 0.344 nan 8.280 nan 0.000 0.455 227 L N 7.002 128.298 121.223 0.121 0.000 2.270 227 L HA 0.392 4.732 4.340 -0.001 0.000 0.286 227 L C -0.722 176.235 176.870 0.144 0.000 1.059 227 L CA -0.348 54.551 54.840 0.099 0.000 0.839 227 L CB -0.469 41.620 42.059 0.049 0.000 1.221 227 L HN 0.660 nan 8.230 nan 0.000 0.431 228 I N 2.012 122.605 120.570 0.039 0.000 3.217 228 I HA 0.603 4.772 4.170 -0.001 0.000 0.308 228 I C -0.488 175.653 176.117 0.040 0.000 1.091 228 I CA -0.710 60.559 61.300 -0.051 0.000 1.013 228 I CB 1.819 39.395 38.000 -0.707 0.000 1.250 228 I HN 0.510 nan 8.210 nan 0.000 0.496 229 E N 0.652 120.870 120.200 0.030 0.000 2.281 229 E HA 0.627 4.976 4.350 -0.001 0.000 0.262 229 E C -1.145 175.472 176.600 0.028 0.000 0.933 229 E CA -0.719 55.637 56.400 -0.074 0.000 0.809 229 E CB 2.225 31.830 29.700 -0.159 0.000 1.242 229 E HN 0.539 nan 8.360 nan 0.000 0.418 230 Q N 0.609 120.387 119.800 -0.037 0.000 2.511 230 Q HA 0.467 4.806 4.340 -0.001 0.000 0.289 230 Q C -1.511 174.465 176.000 -0.040 0.000 1.021 230 Q CA -0.881 54.946 55.803 0.040 0.000 0.785 230 Q CB 2.369 31.121 28.738 0.024 0.000 1.472 230 Q HN 0.266 nan 8.270 nan 0.000 0.411 231 L N 1.299 122.536 121.223 0.022 0.000 2.334 231 L HA 0.533 4.873 4.340 -0.001 0.000 0.276 231 L C -1.352 175.531 176.870 0.022 0.000 1.014 231 L CA -0.303 54.463 54.840 -0.124 0.000 0.815 231 L CB 1.816 43.742 42.059 -0.223 0.000 1.268 231 L HN 0.782 nan 8.230 nan 0.000 0.428 232 Q N 4.028 123.817 119.800 -0.018 0.000 2.356 232 Q HA 0.545 4.884 4.340 -0.001 0.000 0.270 232 Q C -1.732 174.451 176.000 0.304 0.000 1.058 232 Q CA -0.483 55.405 55.803 0.142 0.000 0.802 232 Q CB 3.267 32.040 28.738 0.058 0.000 1.303 232 Q HN 0.520 nan 8.270 nan 0.000 0.444 233 F N 0.002 120.044 119.950 0.154 0.000 2.686 233 F HA 0.708 5.235 4.527 -0.001 0.000 0.311 233 F C -1.625 174.144 175.800 -0.053 0.000 1.128 233 F CA -0.325 57.678 58.000 0.005 0.000 0.946 233 F CB 2.351 41.291 39.000 -0.100 0.000 1.336 233 F HN 0.441 nan 8.300 nan 0.000 0.457 234 T N 1.822 115.385 114.554 -1.653 0.000 3.486 234 T HA 0.507 4.857 4.350 -0.001 0.000 0.375 234 T C -0.903 173.013 174.700 -1.306 0.000 1.459 234 T CA -0.383 60.941 62.100 -1.293 0.000 1.151 234 T CB 1.360 69.878 68.868 -0.584 0.000 1.336 234 T HN 0.973 nan 8.240 nan 0.000 0.477 235 G N 1.874 110.138 108.800 -0.893 0.000 2.338 235 G HA2 0.541 4.501 3.960 -0.001 0.000 0.295 235 G HA3 0.541 4.501 3.960 -0.001 0.000 0.295 235 G C -0.266 174.537 174.900 -0.162 0.000 1.132 235 G CA -0.228 44.683 45.100 -0.315 0.000 0.922 235 G HN 0.636 nan 8.290 nan 0.000 0.427 236 S N 0.975 116.622 115.700 -0.087 0.000 2.681 236 S HA 0.491 4.961 4.470 -0.001 0.000 0.299 236 S C -0.469 174.149 174.600 0.030 0.000 1.113 236 S CA -0.739 57.434 58.200 -0.044 0.000 1.013 236 S CB 1.832 64.998 63.200 -0.057 0.000 1.076 236 S HN 0.561 nan 8.310 nan 0.000 0.534 237 E N 2.094 122.317 120.200 0.038 0.000 2.113 237 E HA 0.313 4.662 4.350 -0.001 0.000 0.273 237 E C -0.394 176.264 176.600 0.096 0.000 0.924 237 E CA -0.235 56.204 56.400 0.065 0.000 0.764 237 E CB 1.388 31.110 29.700 0.037 0.000 1.104 237 E HN 0.451 nan 8.360 nan 0.000 0.406 238 T N 1.488 116.124 114.554 0.136 0.000 2.813 238 T HA 0.413 4.762 4.350 -0.001 0.000 0.297 238 T C 0.116 174.782 174.700 -0.057 0.000 1.036 238 T CA -0.238 61.936 62.100 0.123 0.000 1.044 238 T CB 0.733 69.713 68.868 0.188 0.000 0.993 238 T HN 0.452 nan 8.240 nan 0.000 0.535 239 A N 2.129 124.803 122.820 -0.244 0.000 3.300 239 A HA 0.500 4.819 4.320 -0.001 0.000 0.300 239 A C 0.440 177.754 177.584 -0.449 0.000 1.099 239 A CA -0.868 51.035 52.037 -0.224 0.000 0.846 239 A CB 0.020 18.991 19.000 -0.049 0.000 1.255 239 A HN 0.829 nan 8.150 nan 0.000 0.519 240 T N 0.734 114.941 114.554 -0.579 0.000 2.884 240 T HA 0.511 4.860 4.350 -0.001 0.000 0.298 240 T C -2.182 172.403 174.700 -0.193 0.000 0.998 240 T CA -1.562 60.220 62.100 -0.530 0.000 1.124 240 T CB 0.652 69.254 68.868 -0.443 0.000 0.931 240 T HN 0.360 nan 8.240 nan 0.000 0.531 241 P HA 0.158 nan 4.420 nan 0.000 0.269 241 P C 0.720 178.006 177.300 -0.023 0.000 1.263 241 P CA -0.242 62.846 63.100 -0.021 0.000 0.813 241 P CB 0.699 32.414 31.700 0.026 0.000 0.868 242 S N 2.348 118.033 115.700 -0.025 0.000 2.420 242 S HA 0.041 4.510 4.470 -0.001 0.000 0.237 242 S C 1.058 175.653 174.600 -0.008 0.000 1.023 242 S CA 1.430 59.619 58.200 -0.019 0.000 0.991 242 S CB -0.331 62.860 63.200 -0.016 0.000 0.792 242 S HN 0.889 nan 8.310 nan 0.000 0.488 243 A N -1.384 121.435 122.820 -0.002 0.000 2.323 243 A HA 0.468 4.788 4.320 -0.001 0.000 0.293 243 A C 0.759 178.347 177.584 0.007 0.000 0.991 243 A CA -0.168 51.872 52.037 0.004 0.000 0.559 243 A CB -0.852 18.149 19.000 0.002 0.000 1.486 243 A HN 0.263 nan 8.150 nan 0.000 0.577 244 T N -1.084 113.475 114.554 0.008 0.000 8.545 244 T HA -0.210 4.139 4.350 -0.001 0.000 0.372 244 T C 0.570 175.277 174.700 0.011 0.000 1.696 244 T CA 2.810 64.915 62.100 0.008 0.000 2.567 244 T CB -1.429 67.442 68.868 0.006 0.000 2.873 244 T HN 2.145 nan 8.240 nan 0.000 1.271 245 T N 0.139 114.702 114.554 0.014 0.000 2.868 245 T HA 0.488 4.838 4.350 -0.001 0.000 0.306 245 T C -1.994 172.724 174.700 0.030 0.000 1.224 245 T CA -0.746 61.366 62.100 0.019 0.000 1.012 245 T CB 1.852 70.730 68.868 0.017 0.000 1.221 245 T HN 0.160 nan 8.240 nan 0.000 0.499 246 Q N 2.030 121.853 119.800 0.038 0.000 2.368 246 Q HA 0.643 4.982 4.340 -0.001 0.000 0.263 246 Q C -0.211 175.836 176.000 0.078 0.000 1.009 246 Q CA -0.775 55.064 55.803 0.060 0.000 0.818 246 Q CB 1.828 30.592 28.738 0.043 0.000 1.239 246 Q HN 0.797 nan 8.270 nan 0.000 0.464 247 A N 2.354 125.255 122.820 0.135 0.000 2.310 247 A HA 0.644 4.963 4.320 -0.001 0.000 0.260 247 A C 0.140 177.846 177.584 0.204 0.000 1.112 247 A CA -0.040 52.101 52.037 0.173 0.000 0.804 247 A CB 0.613 19.725 19.000 0.186 0.000 1.081 247 A HN 0.762 nan 8.150 nan 0.000 0.499 248 S N -0.944 114.848 115.700 0.154 0.000 2.588 248 S HA 0.714 5.183 4.470 -0.001 0.000 0.269 248 S C -1.050 173.585 174.600 0.059 0.000 1.157 248 S CA -0.774 57.441 58.200 0.024 0.000 0.824 248 S CB 1.361 64.543 63.200 -0.030 0.000 1.126 248 S HN 0.859 nan 8.310 nan 0.000 0.464 249 Q N 0.340 120.128 119.800 -0.021 0.000 2.707 249 Q HA 0.555 4.895 4.340 -0.001 0.000 0.307 249 Q C -1.687 174.279 176.000 -0.058 0.000 0.934 249 Q CA -1.177 54.631 55.803 0.008 0.000 0.753 249 Q CB 1.579 30.372 28.738 0.092 0.000 1.478 249 Q HN 0.711 nan 8.270 nan 0.000 0.458 250 N N 1.069 119.738 118.700 -0.052 0.000 2.710 250 N HA 0.279 5.019 4.740 -0.001 0.000 0.244 250 N C -1.536 173.922 175.510 -0.086 0.000 1.321 250 N CA -0.140 52.859 53.050 -0.085 0.000 0.758 250 N CB 1.030 39.471 38.487 -0.077 0.000 1.284 250 N HN 0.429 nan 8.380 nan 0.000 0.530 251 I N 1.555 122.062 120.570 -0.106 0.000 2.436 251 I HA 0.068 4.237 4.170 -0.001 0.000 0.289 251 I C 1.142 177.177 176.117 -0.137 0.000 1.083 251 I CA -0.186 61.044 61.300 -0.117 0.000 1.372 251 I CB 0.139 38.058 38.000 -0.135 0.000 1.408 251 I HN 0.081 nan 8.210 nan 0.000 0.516 252 R N 7.347 127.769 120.500 -0.130 0.000 2.309 252 R HA 0.284 4.623 4.340 -0.001 0.000 0.331 252 R C -0.869 175.317 176.300 -0.190 0.000 1.116 252 R CA -0.008 56.013 56.100 -0.132 0.000 0.970 252 R CB -0.361 29.872 30.300 -0.112 0.000 1.024 252 R HN 0.573 nan 8.270 nan 0.000 0.472 253 L N 3.623 124.730 121.223 -0.194 0.000 2.456 253 L HA 0.155 4.494 4.340 -0.001 0.000 0.272 253 L C 0.866 177.497 176.870 -0.399 0.000 1.189 253 L CA 0.092 54.710 54.840 -0.371 0.000 0.846 253 L CB 0.420 42.386 42.059 -0.156 0.000 1.111 253 L HN 0.660 nan 8.230 nan 0.000 0.475 254 N N 3.525 121.805 118.700 -0.701 0.000 2.844 254 N HA 0.336 5.076 4.740 -0.001 0.000 0.268 254 N C -1.203 174.050 175.510 -0.428 0.000 1.574 254 N CA -0.158 52.642 53.050 -0.417 0.000 0.838 254 N CB 0.372 38.677 38.487 -0.302 0.000 1.177 254 N HN 0.378 nan 8.380 nan 0.000 0.495 255 F N 0.201 120.141 119.950 -0.018 0.000 2.572 255 F HA 0.540 5.067 4.527 -0.001 0.000 0.342 255 F C 0.671 176.449 175.800 -0.037 0.000 1.064 255 F CA -0.972 56.948 58.000 -0.133 0.000 1.008 255 F CB 1.551 40.252 39.000 -0.498 0.000 1.303 255 F HN 0.074 nan 8.300 nan 0.000 0.492 256 N N -1.403 117.357 118.700 0.100 0.000 2.972 256 N HA 0.361 5.101 4.740 -0.001 0.000 0.262 256 N C -1.427 174.047 175.510 -0.061 0.000 1.478 256 N CA -0.697 52.308 53.050 -0.075 0.000 0.841 256 N CB 1.288 39.515 38.487 -0.434 0.000 1.512 256 N HN 0.626 nan 8.380 nan 0.000 0.548 257 H N -2.265 116.870 119.070 0.109 0.000 4.396 257 H HA -0.110 4.446 4.556 -0.001 0.000 0.255 257 H C -2.710 172.670 175.328 0.087 0.000 0.574 257 H CA 0.098 56.176 56.048 0.051 0.000 0.744 257 H CB -1.962 27.819 29.762 0.031 0.000 0.934 257 H HN 0.393 nan 8.280 nan 0.000 0.417 258 P HA 0.094 nan 4.420 nan 0.000 0.265 258 P C -0.336 177.083 177.300 0.198 0.000 1.222 258 P CA 0.566 63.772 63.100 0.176 0.000 0.767 258 P CB 0.412 32.200 31.700 0.146 0.000 0.801 259 T N 4.012 118.674 114.554 0.181 0.000 2.767 259 T HA 0.195 4.545 4.350 -0.001 0.000 0.284 259 T C 1.225 176.089 174.700 0.274 0.000 0.973 259 T CA -0.631 61.530 62.100 0.103 0.000 0.996 259 T CB 1.403 70.238 68.868 -0.055 0.000 0.927 259 T HN 0.262 nan 8.240 nan 0.000 0.456 260 K N 1.830 122.327 120.400 0.163 0.000 2.116 260 K HA 0.088 4.407 4.320 -0.001 0.000 0.203 260 K C 0.082 176.980 176.600 0.496 0.000 1.052 260 K CA 0.982 57.454 56.287 0.309 0.000 0.952 260 K CB 0.068 32.660 32.500 0.153 0.000 0.729 260 K HN 0.774 nan 8.250 nan 0.000 0.446 261 Y N -2.196 118.317 120.300 0.355 0.000 2.741 261 Y HA 0.489 5.039 4.550 -0.001 0.000 0.339 261 Y C -1.819 174.224 175.900 0.239 0.000 1.226 261 Y CA -1.746 56.483 58.100 0.215 0.000 1.072 261 Y CB 0.863 39.405 38.460 0.137 0.000 1.331 261 Y HN -0.300 nan 8.280 nan 0.000 0.453 262 L N 2.133 123.674 121.223 0.530 0.000 2.362 262 L HA 0.984 5.323 4.340 -0.001 0.000 0.271 262 L C -0.594 176.714 176.870 0.729 0.000 1.002 262 L CA -1.262 53.899 54.840 0.535 0.000 0.818 262 L CB 2.053 44.465 42.059 0.587 0.000 1.298 262 L HN 0.978 nan 8.230 nan 0.000 0.420 263 A N 2.544 125.795 122.820 0.718 0.000 2.422 263 A HA 0.844 5.163 4.320 -0.001 0.000 0.302 263 A C -1.810 176.201 177.584 0.711 0.000 1.041 263 A CA -0.397 51.996 52.037 0.593 0.000 0.708 263 A CB 1.343 20.730 19.000 0.645 0.000 1.257 263 A HN 0.797 nan 8.150 nan 0.000 0.414 264 W N 1.967 123.438 121.300 0.284 0.000 3.074 264 W HA 0.744 5.404 4.660 -0.001 0.000 0.332 264 W C -1.149 175.409 176.519 0.064 0.000 1.253 264 W CA -0.466 56.975 57.345 0.160 0.000 1.180 264 W CB 1.028 30.495 29.460 0.012 0.000 1.445 264 W HN 0.913 nan 8.180 nan 0.000 0.573 265 N N 0.250 118.989 118.700 0.066 0.000 2.598 265 N HA 0.500 5.240 4.740 -0.001 0.000 0.263 265 N C -2.183 173.239 175.510 -0.147 0.000 1.254 265 N CA -0.808 52.161 53.050 -0.134 0.000 0.863 265 N CB 2.106 40.218 38.487 -0.624 0.000 1.586 265 N HN 0.388 nan 8.380 nan 0.000 0.491 266 F N 1.000 121.114 119.950 0.274 0.000 2.388 266 F HA 0.400 4.927 4.527 -0.001 0.000 0.358 266 F C 0.608 176.587 175.800 0.299 0.000 1.122 266 F CA -0.752 57.420 58.000 0.286 0.000 1.056 266 F CB 1.152 40.334 39.000 0.303 0.000 1.155 266 F HN 0.487 nan 8.300 nan 0.000 0.461 267 N N 2.722 121.674 118.700 0.419 0.000 2.292 267 N HA 0.191 4.930 4.740 -0.001 0.000 0.303 267 N C -1.484 174.176 175.510 0.250 0.000 1.140 267 N CA -0.619 52.669 53.050 0.397 0.000 0.788 267 N CB 1.927 40.691 38.487 0.461 0.000 1.361 267 N HN 0.778 nan 8.380 nan 0.000 0.489 268 N N 2.928 121.735 118.700 0.179 0.000 2.521 268 N HA 0.194 4.934 4.740 -0.001 0.000 0.236 268 N C -1.819 173.760 175.510 0.116 0.000 1.067 268 N CA -1.819 51.304 53.050 0.122 0.000 0.939 268 N CB 1.014 39.549 38.487 0.080 0.000 1.201 268 N HN 0.376 nan 8.380 nan 0.000 0.511 269 P HA -0.229 nan 4.420 nan 0.000 0.219 269 P C 1.008 178.374 177.300 0.109 0.000 1.153 269 P CA 1.573 64.746 63.100 0.122 0.000 0.865 269 P CB 0.199 31.962 31.700 0.105 0.000 0.788 270 T N -1.167 113.440 114.554 0.089 0.000 2.665 270 T HA -0.106 4.244 4.350 -0.001 0.000 0.268 270 T C 0.839 175.607 174.700 0.113 0.000 1.035 270 T CA 1.251 63.400 62.100 0.082 0.000 1.151 270 T CB -0.658 68.251 68.868 0.068 0.000 0.862 270 T HN 0.157 nan 8.240 nan 0.000 0.438 271 N N 0.557 119.329 118.700 0.120 0.000 2.419 271 N HA 0.223 4.962 4.740 -0.001 0.000 0.277 271 N C 0.172 175.785 175.510 0.171 0.000 1.006 271 N CA -0.450 52.695 53.050 0.158 0.000 0.923 271 N CB 1.445 39.989 38.487 0.095 0.000 1.140 271 N HN 0.062 nan 8.380 nan 0.000 0.488 272 Y N 3.157 123.520 120.300 0.104 0.000 1.885 272 Y HA -0.234 4.316 4.550 -0.001 0.000 0.233 272 Y C 1.803 177.718 175.900 0.025 0.000 1.104 272 Y CA 2.312 60.474 58.100 0.103 0.000 1.045 272 Y CB -0.676 37.886 38.460 0.171 0.000 0.906 272 Y HN 0.608 nan 8.280 nan 0.000 0.508 273 G N 0.595 109.195 108.800 -0.334 0.000 3.591 273 G HA2 0.075 4.034 3.960 -0.001 0.000 0.282 273 G HA3 0.075 4.034 3.960 -0.001 0.000 0.282 273 G C -0.153 174.270 174.900 -0.796 0.000 1.238 273 G CA -0.332 44.319 45.100 -0.749 0.000 0.993 273 G HN 0.424 nan 8.290 nan 0.000 0.542 274 Q N 0.562 120.096 119.800 -0.443 0.000 2.369 274 Q HA 0.206 4.545 4.340 -0.001 0.000 0.247 274 Q C -0.414 175.517 176.000 -0.114 0.000 1.083 274 Q CA -0.306 55.342 55.803 -0.259 0.000 0.905 274 Q CB 0.324 29.004 28.738 -0.096 0.000 1.305 274 Q HN 0.671 nan 8.270 nan 0.000 0.465 275 Y N 1.430 121.740 120.300 0.017 0.000 2.531 275 Y HA 0.221 4.771 4.550 -0.001 0.000 0.249 275 Y C 0.547 176.499 175.900 0.087 0.000 1.168 275 Y CA -0.526 57.619 58.100 0.075 0.000 1.226 275 Y CB 1.636 40.119 38.460 0.038 0.000 1.177 275 Y HN 0.357 nan 8.280 nan 0.000 0.527 276 T N 0.428 115.074 114.554 0.152 0.000 2.916 276 T HA 0.686 5.035 4.350 -0.001 0.000 0.292 276 T C -0.542 174.190 174.700 0.052 0.000 1.064 276 T CA -0.655 61.503 62.100 0.096 0.000 1.011 276 T CB 1.467 70.356 68.868 0.036 0.000 1.152 276 T HN 0.147 nan 8.240 nan 0.000 0.510 277 A N 2.152 124.998 122.820 0.043 0.000 2.388 277 A HA 0.640 4.960 4.320 -0.001 0.000 0.257 277 A C -0.115 177.463 177.584 -0.009 0.000 1.095 277 A CA -0.349 51.700 52.037 0.019 0.000 0.791 277 A CB -0.150 18.863 19.000 0.021 0.000 1.029 277 A HN 0.778 nan 8.150 nan 0.000 0.489 278 L N 1.490 122.700 121.223 -0.023 0.000 2.349 278 L HA 0.541 4.880 4.340 -0.001 0.000 0.275 278 L C 0.600 177.451 176.870 -0.032 0.000 1.115 278 L CA -0.047 54.767 54.840 -0.045 0.000 0.820 278 L CB 0.953 42.975 42.059 -0.061 0.000 1.135 278 L HN 0.836 nan 8.230 nan 0.000 0.445 279 A N 2.524 125.322 122.820 -0.036 0.000 2.566 279 A HA 0.394 4.714 4.320 -0.001 0.000 0.292 279 A C -0.493 177.075 177.584 -0.027 0.000 1.112 279 A CA -0.685 51.337 52.037 -0.024 0.000 0.707 279 A CB 1.347 20.339 19.000 -0.014 0.000 1.302 279 A HN 0.627 nan 8.150 nan 0.000 0.409 280 N N 1.067 119.755 118.700 -0.019 0.000 3.254 280 N HA 0.253 4.993 4.740 -0.001 0.000 0.308 280 N C -1.007 174.494 175.510 -0.014 0.000 1.281 280 N CA 0.434 53.474 53.050 -0.018 0.000 1.212 280 N CB -0.710 37.769 38.487 -0.013 0.000 1.478 280 N HN 0.514 nan 8.380 nan 0.000 0.548 281 I N 1.167 121.726 120.570 -0.018 0.000 2.582 281 I HA 0.311 4.481 4.170 -0.001 0.000 0.292 281 I C -2.281 173.825 176.117 -0.017 0.000 1.066 281 I CA -2.451 58.841 61.300 -0.013 0.000 1.053 281 I CB 2.703 40.698 38.000 -0.009 0.000 1.241 281 I HN -0.041 nan 8.210 nan 0.000 0.421 282 P HA -0.036 nan 4.420 nan 0.000 0.257 282 P C 0.765 178.055 177.300 -0.017 0.000 1.162 282 P CA 1.200 64.294 63.100 -0.011 0.000 0.762 282 P CB 0.246 31.944 31.700 -0.003 0.000 0.753 283 G N 3.375 112.159 108.800 -0.027 0.000 2.225 283 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.254 283 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.254 283 G C 0.944 175.805 174.900 -0.066 0.000 0.988 283 G CA 0.254 45.331 45.100 -0.039 0.000 0.625 283 G HN 0.700 nan 8.290 nan 0.000 0.527 284 A N -0.814 121.970 122.820 -0.060 0.000 2.275 284 A HA 0.622 4.941 4.320 -0.001 0.000 0.212 284 A C 1.315 178.844 177.584 -0.090 0.000 1.201 284 A CA 1.857 53.851 52.037 -0.071 0.000 0.843 284 A CB -0.464 18.509 19.000 -0.045 0.000 0.873 284 A HN 2.287 nan 8.150 nan 0.000 0.492 285 C N -3.489 115.754 119.300 -0.095 0.000 3.253 285 C HA 0.632 5.091 4.460 -0.001 0.000 0.342 285 C C 0.028 174.954 174.990 -0.107 0.000 1.306 285 C CA -0.351 58.598 59.018 -0.114 0.000 1.207 285 C CB 0.538 28.230 27.740 -0.080 0.000 1.479 285 C HN 0.368 nan 8.230 nan 0.000 0.469 286 S N 0.625 116.249 115.700 -0.127 0.000 2.515 286 S HA 0.432 4.902 4.470 -0.001 0.000 0.285 286 S C 1.490 176.065 174.600 -0.043 0.000 1.265 286 S CA 1.837 59.986 58.200 -0.086 0.000 1.079 286 S CB -0.591 62.562 63.200 -0.079 0.000 0.877 286 S HN 2.967 nan 8.310 nan 0.000 0.493 287 G N 3.201 111.985 108.800 -0.026 0.000 2.148 287 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.254 287 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.254 287 G C 0.361 175.251 174.900 -0.017 0.000 0.981 287 G CA 0.136 45.227 45.100 -0.014 0.000 0.670 287 G HN 1.562 nan 8.290 nan 0.000 0.528 288 A N -0.532 122.272 122.820 -0.026 0.000 2.587 288 A HA 0.553 4.872 4.320 -0.001 0.000 0.235 288 A C 2.192 179.767 177.584 -0.014 0.000 1.044 288 A CA 2.254 54.277 52.037 -0.023 0.000 0.754 288 A CB -0.200 18.782 19.000 -0.030 0.000 0.968 288 A HN 2.459 nan 8.150 nan 0.000 0.509 289 G N 0.779 109.573 108.800 -0.011 0.000 2.225 289 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.254 289 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.254 289 G C 0.605 175.503 174.900 -0.005 0.000 0.988 289 G CA 1.141 46.237 45.100 -0.006 0.000 0.625 289 G HN 1.561 nan 8.290 nan 0.000 0.527 290 T N -1.534 113.017 114.554 -0.005 0.000 2.762 290 T HA 0.720 5.069 4.350 -0.001 0.000 0.272 290 T C 1.628 176.326 174.700 -0.004 0.000 0.982 290 T CA 0.827 62.925 62.100 -0.004 0.000 1.013 290 T CB 1.214 70.081 68.868 -0.002 0.000 1.309 290 T HN 1.088 nan 8.240 nan 0.000 0.572 291 A N 0.025 122.844 122.820 -0.002 0.000 2.119 291 A HA 0.396 4.715 4.320 -0.001 0.000 0.217 291 A C 1.942 179.525 177.584 -0.002 0.000 1.153 291 A CA 1.464 53.500 52.037 -0.002 0.000 0.692 291 A CB -0.741 18.258 19.000 -0.001 0.000 0.799 291 A HN 0.847 nan 8.150 nan 0.000 0.458 292 A N -0.652 122.167 122.820 -0.002 0.000 2.308 292 A HA 0.627 4.946 4.320 -0.001 0.000 0.217 292 A C 1.209 178.790 177.584 -0.005 0.000 1.216 292 A CA 0.494 52.531 52.037 -0.001 0.000 0.864 292 A CB -0.720 18.281 19.000 0.001 0.000 0.902 292 A HN 0.922 nan 8.150 nan 0.000 0.499 293 A N 0.442 123.257 122.820 -0.008 0.000 2.567 293 A HA 0.440 4.760 4.320 -0.001 0.000 0.240 293 A C 0.239 177.814 177.584 -0.014 0.000 1.053 293 A CA 0.873 52.902 52.037 -0.013 0.000 0.755 293 A CB -0.316 18.676 19.000 -0.013 0.000 0.978 293 A HN 0.330 nan 8.150 nan 0.000 0.507 294 T N 2.960 117.501 114.554 -0.022 0.000 2.965 294 T HA 0.294 4.643 4.350 -0.001 0.000 0.306 294 T C 0.658 175.338 174.700 -0.033 0.000 0.991 294 T CA -0.476 61.611 62.100 -0.021 0.000 1.001 294 T CB 1.375 70.234 68.868 -0.015 0.000 0.984 294 T HN 0.380 nan 8.240 nan 0.000 0.446 295 V N 2.742 122.640 119.914 -0.028 0.000 3.444 295 V HA -0.057 4.063 4.120 -0.001 0.000 0.271 295 V C 2.119 178.193 176.094 -0.033 0.000 1.188 295 V CA 1.420 63.701 62.300 -0.033 0.000 1.168 295 V CB -0.831 30.979 31.823 -0.022 0.000 0.810 295 V HN 0.914 nan 8.190 nan 0.000 0.500 296 T N -0.731 113.806 114.554 -0.028 0.000 3.009 296 T HA 0.015 4.364 4.350 -0.001 0.000 0.258 296 T C 0.922 175.603 174.700 -0.032 0.000 1.063 296 T CA 0.887 62.976 62.100 -0.019 0.000 1.139 296 T CB 0.118 68.984 68.868 -0.003 0.000 0.890 296 T HN 0.492 nan 8.240 nan 0.000 0.471 297 T N 3.765 118.283 114.554 -0.060 0.000 2.829 297 T HA 0.456 4.806 4.350 -0.001 0.000 0.280 297 T C -2.692 171.859 174.700 -0.249 0.000 0.999 297 T CA -1.487 60.540 62.100 -0.121 0.000 0.983 297 T CB 2.381 71.211 68.868 -0.063 0.000 0.968 297 T HN -0.003 nan 8.240 nan 0.000 0.446 298 P HA 0.231 nan 4.420 nan 0.000 0.279 298 P C -0.796 176.117 177.300 -0.645 0.000 1.252 298 P CA -0.453 62.360 63.100 -0.479 0.000 0.811 298 P CB 0.871 32.298 31.700 -0.456 0.000 1.035 299 D N 1.081 121.255 120.400 -0.375 0.000 2.508 299 D HA 0.028 4.668 4.640 -0.001 0.000 0.224 299 D C 0.967 177.136 176.300 -0.218 0.000 1.171 299 D CA -0.402 53.454 54.000 -0.240 0.000 1.006 299 D CB -0.754 39.971 40.800 -0.126 0.000 1.073 299 D HN 0.194 nan 8.370 nan 0.000 0.513 300 Y N 1.556 121.830 120.300 -0.043 0.000 2.108 300 Y HA -0.323 4.226 4.550 -0.001 0.000 0.274 300 Y C 2.594 178.492 175.900 -0.003 0.000 1.229 300 Y CA 1.591 59.672 58.100 -0.032 0.000 1.129 300 Y CB -0.541 37.947 38.460 0.047 0.000 0.946 300 Y HN 0.459 nan 8.280 nan 0.000 0.509 301 G N -0.683 108.240 108.800 0.205 0.000 2.470 301 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.220 301 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.220 301 G C 0.778 175.766 174.900 0.146 0.000 1.121 301 G CA 0.897 46.124 45.100 0.212 0.000 0.766 301 G HN 0.328 nan 8.290 nan 0.000 0.553 302 N N 0.094 118.792 118.700 -0.002 0.000 2.644 302 N HA 0.128 4.868 4.740 -0.001 0.000 0.313 302 N C 0.730 176.114 175.510 -0.211 0.000 1.863 302 N CA -0.111 52.903 53.050 -0.060 0.000 0.918 302 N CB 0.950 39.421 38.487 -0.026 0.000 1.320 302 N HN -0.073 nan 8.380 nan 0.000 0.490 303 T N -0.972 113.297 114.554 -0.475 0.000 2.962 303 T HA -0.018 4.331 4.350 -0.001 0.000 0.270 303 T C 1.241 175.721 174.700 -0.366 0.000 1.088 303 T CA 0.727 62.492 62.100 -0.557 0.000 1.127 303 T CB 0.133 68.397 68.868 -1.005 0.000 0.883 303 T HN 0.373 nan 8.240 nan 0.000 0.493 304 G N 0.322 108.969 108.800 -0.255 0.000 2.528 304 G HA2 0.554 4.513 3.960 -0.001 0.000 0.289 304 G HA3 0.554 4.513 3.960 -0.001 0.000 0.289 304 G C -0.657 174.122 174.900 -0.202 0.000 1.192 304 G CA -0.313 44.688 45.100 -0.166 0.000 0.921 304 G HN 0.253 nan 8.290 nan 0.000 0.512 305 T N -1.708 112.686 114.554 -0.267 0.000 2.769 305 T HA 0.322 4.672 4.350 -0.001 0.000 0.306 305 T C -0.685 173.779 174.700 -0.393 0.000 1.400 305 T CA -0.377 61.570 62.100 -0.256 0.000 1.007 305 T CB 1.392 70.200 68.868 -0.101 0.000 1.392 305 T HN 0.457 nan 8.240 nan 0.000 0.500 306 Y N -0.352 119.947 120.300 -0.002 0.000 2.527 306 Y HA 0.332 4.881 4.550 -0.001 0.000 0.247 306 Y C 1.211 177.106 175.900 -0.008 0.000 1.138 306 Y CA -0.697 57.395 58.100 -0.013 0.000 1.228 306 Y CB 0.814 39.266 38.460 -0.015 0.000 1.252 306 Y HN 0.402 nan 8.280 nan 0.000 0.531 307 N N 2.202 120.964 118.700 0.104 0.000 2.402 307 N HA -0.062 4.678 4.740 -0.001 0.000 0.259 307 N C 1.016 176.565 175.510 0.064 0.000 1.167 307 N CA 0.396 53.489 53.050 0.073 0.000 0.949 307 N CB 0.940 39.455 38.487 0.046 0.000 1.212 307 N HN 0.282 nan 8.380 nan 0.000 0.493 308 E N 2.807 123.051 120.200 0.073 0.000 2.333 308 E HA -0.207 4.143 4.350 -0.001 0.000 0.198 308 E C 1.265 177.914 176.600 0.082 0.000 1.007 308 E CA 1.174 57.625 56.400 0.084 0.000 0.845 308 E CB 0.107 29.861 29.700 0.090 0.000 0.766 308 E HN 0.585 nan 8.360 nan 0.000 0.507 309 Q N -0.120 119.717 119.800 0.062 0.000 2.364 309 Q HA 0.005 4.345 4.340 -0.001 0.000 0.209 309 Q C 1.207 177.238 176.000 0.053 0.000 0.977 309 Q CA 1.090 56.925 55.803 0.054 0.000 0.885 309 Q CB -0.009 28.753 28.738 0.039 0.000 0.941 309 Q HN 0.470 nan 8.270 nan 0.000 0.464 310 L N -0.547 120.708 121.223 0.054 0.000 2.640 310 L HA 0.451 4.790 4.340 -0.001 0.000 0.230 310 L C 0.336 177.252 176.870 0.076 0.000 1.123 310 L CA -0.230 54.640 54.840 0.050 0.000 0.900 310 L CB 0.072 42.148 42.059 0.029 0.000 1.146 310 L HN 0.053 nan 8.230 nan 0.000 0.484 311 A N 0.281 123.166 122.820 0.108 0.000 2.304 311 A HA 0.443 4.762 4.320 -0.001 0.000 0.301 311 A C 1.042 178.718 177.584 0.153 0.000 1.132 311 A CA -0.248 51.890 52.037 0.169 0.000 0.819 311 A CB 1.230 20.366 19.000 0.226 0.000 1.094 311 A HN 0.044 nan 8.150 nan 0.000 0.492 312 V N 0.621 120.618 119.914 0.138 0.000 2.825 312 V HA 0.159 4.278 4.120 -0.001 0.000 0.246 312 V C 0.958 177.082 176.094 0.050 0.000 1.068 312 V CA 0.364 62.694 62.300 0.049 0.000 1.088 312 V CB -1.200 30.581 31.823 -0.069 0.000 0.733 312 V HN 0.639 nan 8.190 nan 0.000 0.468 313 L N 2.590 123.820 121.223 0.012 0.000 2.513 313 L HA 0.202 4.541 4.340 -0.001 0.000 0.272 313 L C 1.038 177.946 176.870 0.063 0.000 1.187 313 L CA 1.042 55.849 54.840 -0.055 0.000 0.895 313 L CB 0.599 42.583 42.059 -0.124 0.000 1.147 313 L HN 0.407 nan 8.230 nan 0.000 0.483 314 D N 1.220 121.629 120.400 0.016 0.000 2.414 314 D HA 0.084 4.724 4.640 -0.001 0.000 0.237 314 D C 0.182 176.539 176.300 0.094 0.000 0.975 314 D CA 1.131 55.168 54.000 0.062 0.000 0.917 314 D CB 0.523 41.343 40.800 0.033 0.000 1.061 314 D HN 0.610 nan 8.370 nan 0.000 0.480 315 S N -1.389 114.345 115.700 0.056 0.000 2.638 315 S HA 0.859 5.328 4.470 -0.001 0.000 0.274 315 S C -1.103 173.558 174.600 0.100 0.000 1.157 315 S CA -0.231 58.047 58.200 0.131 0.000 0.826 315 S CB 1.982 65.231 63.200 0.081 0.000 1.139 315 S HN 0.417 nan 8.310 nan 0.000 0.474 316 A N 0.700 123.659 122.820 0.231 0.000 2.601 316 A HA 0.906 5.226 4.320 -0.001 0.000 0.291 316 A C -1.474 176.222 177.584 0.187 0.000 1.075 316 A CA -0.750 51.338 52.037 0.085 0.000 0.671 316 A CB 1.435 20.379 19.000 -0.093 0.000 1.277 316 A HN 1.508 nan 8.150 nan 0.000 0.417 317 K N 0.365 120.720 120.400 -0.075 0.000 2.597 317 K HA 0.754 5.074 4.320 -0.001 0.000 0.282 317 K C -1.856 174.449 176.600 -0.492 0.000 0.975 317 K CA -0.763 55.337 56.287 -0.311 0.000 0.867 317 K CB 1.198 33.502 32.500 -0.327 0.000 1.465 317 K HN 0.571 nan 8.250 nan 0.000 0.417 318 I N 1.042 121.100 120.570 -0.853 0.000 2.648 318 I HA 0.327 4.496 4.170 -0.001 0.000 0.304 318 I C -0.780 175.089 176.117 -0.413 0.000 1.009 318 I CA -1.014 60.011 61.300 -0.458 0.000 1.114 318 I CB 2.260 40.142 38.000 -0.197 0.000 1.293 318 I HN 0.563 nan 8.210 nan 0.000 0.449 319 Q N 4.993 124.661 119.800 -0.221 0.000 2.285 319 Q HA 0.552 4.892 4.340 -0.001 0.000 0.269 319 Q C -1.573 174.359 176.000 -0.115 0.000 1.030 319 Q CA -0.628 55.071 55.803 -0.172 0.000 0.788 319 Q CB 3.110 31.754 28.738 -0.157 0.000 1.266 319 Q HN 0.467 nan 8.270 nan 0.000 0.438 320 L N 3.239 124.401 121.223 -0.102 0.000 2.265 320 L HA 0.406 4.746 4.340 -0.001 0.000 0.289 320 L C -0.190 176.629 176.870 -0.084 0.000 1.033 320 L CA -0.782 53.997 54.840 -0.101 0.000 0.814 320 L CB 0.772 42.771 42.059 -0.101 0.000 1.203 320 L HN 0.721 nan 8.230 nan 0.000 0.423 321 N N 3.389 122.040 118.700 -0.082 0.000 2.705 321 N HA -0.224 4.516 4.740 -0.001 0.000 0.255 321 N C 1.089 176.562 175.510 -0.061 0.000 1.008 321 N CA 1.071 54.081 53.050 -0.066 0.000 0.742 321 N CB -0.892 37.559 38.487 -0.060 0.000 0.906 321 N HN 1.146 nan 8.380 nan 0.000 0.541 322 G N -1.032 107.727 108.800 -0.068 0.000 2.220 322 G HA2 -0.371 3.589 3.960 -0.001 0.000 0.269 322 G HA3 -0.371 3.589 3.960 -0.001 0.000 0.269 322 G C -0.001 174.858 174.900 -0.067 0.000 0.977 322 G CA 0.938 45.999 45.100 -0.065 0.000 0.634 322 G HN 0.614 nan 8.290 nan 0.000 0.539 323 Q N 0.679 120.439 119.800 -0.067 0.000 2.235 323 Q HA 0.499 4.839 4.340 -0.001 0.000 0.250 323 Q C -1.067 174.883 176.000 -0.084 0.000 0.909 323 Q CA -0.741 55.026 55.803 -0.061 0.000 0.910 323 Q CB 1.026 29.737 28.738 -0.045 0.000 1.223 323 Q HN 0.254 nan 8.270 nan 0.000 0.432 324 D N 1.464 121.811 120.400 -0.087 0.000 2.358 324 D HA 0.016 4.655 4.640 -0.001 0.000 0.258 324 D C 0.779 177.014 176.300 -0.110 0.000 1.223 324 D CA 0.012 53.929 54.000 -0.138 0.000 0.886 324 D CB 0.900 41.629 40.800 -0.119 0.000 1.120 324 D HN 0.364 nan 8.370 nan 0.000 0.482 325 R N 2.942 123.334 120.500 -0.180 0.000 2.148 325 R HA 0.040 4.379 4.340 -0.001 0.000 0.227 325 R C -0.369 176.045 176.300 0.189 0.000 1.103 325 R CA 1.127 57.231 56.100 0.008 0.000 0.983 325 R CB -0.171 30.170 30.300 0.069 0.000 0.874 325 R HN 0.531 nan 8.270 nan 0.000 0.451 326 F N -4.821 115.148 119.950 0.032 0.000 2.744 326 F HA 0.654 5.181 4.527 -0.001 0.000 0.311 326 F C -0.866 174.941 175.800 0.012 0.000 1.144 326 F CA -1.611 56.414 58.000 0.042 0.000 0.938 326 F CB 0.307 39.356 39.000 0.082 0.000 1.292 326 F HN -0.090 nan 8.300 nan 0.000 0.444 327 A N 0.859 123.803 122.820 0.207 0.000 2.448 327 A HA 0.509 4.828 4.320 -0.001 0.000 0.239 327 A C 0.217 177.891 177.584 0.151 0.000 1.080 327 A CA 0.112 52.206 52.037 0.094 0.000 0.779 327 A CB -0.269 18.768 19.000 0.062 0.000 1.026 327 A HN 0.814 nan 8.150 nan 0.000 0.499 328 T N 3.250 117.843 114.554 0.065 0.000 2.888 328 T HA 0.363 4.712 4.350 -0.001 0.000 0.301 328 T C 0.220 174.974 174.700 0.089 0.000 1.001 328 T CA 0.189 62.350 62.100 0.103 0.000 1.147 328 T CB -0.047 68.847 68.868 0.043 0.000 0.931 328 T HN 0.570 nan 8.240 nan 0.000 0.541 329 R N 2.272 122.873 120.500 0.168 0.000 2.854 329 R HA 0.470 4.810 4.340 -0.001 0.000 0.271 329 R C -0.184 176.240 176.300 0.207 0.000 0.994 329 R CA -1.135 54.950 56.100 -0.025 0.000 0.945 329 R CB 0.997 30.939 30.300 -0.597 0.000 1.194 329 R HN 0.423 nan 8.270 nan 0.000 0.476 330 K N 0.298 120.783 120.400 0.141 0.000 2.230 330 K HA 0.138 4.458 4.320 -0.001 0.000 0.253 330 K C 1.542 178.382 176.600 0.401 0.000 1.008 330 K CA 0.150 56.571 56.287 0.223 0.000 0.910 330 K CB 0.389 32.979 32.500 0.150 0.000 0.994 330 K HN 0.839 nan 8.250 nan 0.000 0.495 331 G N 0.462 109.499 108.800 0.395 0.000 2.432 331 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.219 331 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.219 331 G C 1.359 176.618 174.900 0.598 0.000 1.135 331 G CA 1.111 46.539 45.100 0.546 0.000 0.767 331 G HN 0.593 nan 8.290 nan 0.000 0.550 332 S N -0.537 115.381 115.700 0.363 0.000 2.474 332 S HA -0.112 4.357 4.470 -0.001 0.000 0.235 332 S C 1.991 176.695 174.600 0.172 0.000 0.997 332 S CA 1.076 59.417 58.200 0.235 0.000 0.949 332 S CB -0.447 62.843 63.200 0.149 0.000 0.766 332 S HN 0.561 nan 8.310 nan 0.000 0.517 333 Y N 1.935 122.258 120.300 0.039 0.000 2.184 333 Y HA 0.126 4.675 4.550 -0.001 0.000 0.290 333 Y C 1.488 177.292 175.900 -0.160 0.000 1.129 333 Y CA 0.903 58.909 58.100 -0.157 0.000 1.144 333 Y CB -0.526 37.710 38.460 -0.374 0.000 0.995 333 Y HN 0.233 nan 8.280 nan 0.000 0.513 334 F N 0.404 120.390 119.950 0.061 0.000 2.502 334 F HA -0.053 4.473 4.527 -0.001 0.000 0.298 334 F C 2.394 178.118 175.800 -0.126 0.000 1.111 334 F CA 1.201 59.168 58.000 -0.055 0.000 1.445 334 F CB -0.421 38.724 39.000 0.242 0.000 1.081 334 F HN 0.254 nan 8.300 nan 0.000 0.558 335 N N 0.376 119.131 118.700 0.093 0.000 2.368 335 N HA -0.061 4.679 4.740 -0.001 0.000 0.178 335 N C 1.607 177.043 175.510 -0.124 0.000 1.021 335 N CA 0.745 53.731 53.050 -0.106 0.000 0.875 335 N CB 0.272 38.692 38.487 -0.112 0.000 1.020 335 N HN 0.261 nan 8.380 nan 0.000 0.433 336 K N 0.122 120.464 120.400 -0.096 0.000 2.172 336 K HA 0.120 4.440 4.320 -0.001 0.000 0.203 336 K C 2.087 178.611 176.600 -0.127 0.000 1.040 336 K CA 0.386 56.612 56.287 -0.102 0.000 0.974 336 K CB 0.173 32.629 32.500 -0.074 0.000 0.857 336 K HN -0.074 nan 8.250 nan 0.000 0.464 337 V N 2.040 121.831 119.914 -0.205 0.000 2.323 337 V HA -0.195 3.924 4.120 -0.001 0.000 0.244 337 V C 2.368 178.290 176.094 -0.286 0.000 1.041 337 V CA 1.527 63.694 62.300 -0.223 0.000 1.025 337 V CB -0.426 31.261 31.823 -0.228 0.000 0.656 337 V HN 0.291 nan 8.190 nan 0.000 0.451 338 Q N -0.470 119.011 119.800 -0.531 0.000 2.061 338 Q HA -0.172 4.167 4.340 -0.001 0.000 0.204 338 Q C 0.428 176.267 176.000 -0.269 0.000 0.984 338 Q CA 2.303 57.856 55.803 -0.417 0.000 0.846 338 Q CB -1.647 26.855 28.738 -0.394 0.000 0.902 338 Q HN 0.502 nan 8.270 nan 0.000 0.421 339 P HA -0.163 nan 4.420 nan 0.000 0.215 339 P C 1.254 178.444 177.300 -0.183 0.000 1.157 339 P CA 1.042 63.987 63.100 -0.259 0.000 0.863 339 P CB -0.390 31.151 31.700 -0.265 0.000 0.787 340 Y N 0.903 121.074 120.300 -0.216 0.000 2.207 340 Y HA -0.259 4.290 4.550 -0.001 0.000 0.287 340 Y C 2.086 177.901 175.900 -0.142 0.000 1.156 340 Y CA 1.757 59.758 58.100 -0.166 0.000 1.182 340 Y CB -0.680 37.694 38.460 -0.143 0.000 0.979 340 Y HN 0.016 nan 8.280 nan 0.000 0.521 341 Q N -1.089 118.668 119.800 -0.071 0.000 2.331 341 Q HA -0.045 4.294 4.340 -0.001 0.000 0.203 341 Q C 1.876 177.778 176.000 -0.164 0.000 0.944 341 Q CA 1.336 57.072 55.803 -0.112 0.000 0.892 341 Q CB 0.109 28.834 28.738 -0.021 0.000 0.983 341 Q HN 0.577 nan 8.270 nan 0.000 0.482 342 S N -1.816 113.777 115.700 -0.179 0.000 2.632 342 S HA 0.248 4.718 4.470 -0.001 0.000 0.237 342 S C 1.374 175.880 174.600 -0.157 0.000 1.037 342 S CA -0.329 57.782 58.200 -0.149 0.000 1.009 342 S CB 0.341 63.461 63.200 -0.133 0.000 0.974 342 S HN 0.179 nan 8.310 nan 0.000 0.544 343 I N 0.697 121.135 120.570 -0.219 0.000 3.873 343 I HA 0.399 4.569 4.170 -0.001 0.000 0.284 343 I C 1.631 177.618 176.117 -0.217 0.000 1.186 343 I CA 0.456 61.620 61.300 -0.226 0.000 1.362 343 I CB 0.190 37.974 38.000 -0.361 0.000 1.432 343 I HN 0.430 nan 8.210 nan 0.000 0.454 344 G N 1.581 110.227 108.800 -0.257 0.000 2.149 344 G HA2 -0.141 3.819 3.960 -0.001 0.000 0.235 344 G HA3 -0.141 3.819 3.960 -0.001 0.000 0.235 344 G C 0.267 175.057 174.900 -0.184 0.000 1.018 344 G CA 0.106 45.053 45.100 -0.255 0.000 0.728 344 G HN 0.628 nan 8.290 nan 0.000 0.508 345 G N -1.972 106.719 108.800 -0.181 0.000 3.286 345 G HA2 0.808 4.767 3.960 -0.001 0.000 0.166 345 G HA3 0.808 4.767 3.960 -0.001 0.000 0.166 345 G C -0.537 174.281 174.900 -0.137 0.000 1.155 345 G CA 0.191 45.200 45.100 -0.152 0.000 0.871 345 G HN 1.444 nan 8.290 nan 0.000 0.637 346 V N 0.197 120.029 119.914 -0.137 0.000 2.697 346 V HA 0.612 4.732 4.120 -0.001 0.000 0.300 346 V C -1.091 174.977 176.094 -0.043 0.000 1.115 346 V CA -0.424 61.796 62.300 -0.134 0.000 0.912 346 V CB 1.800 33.477 31.823 -0.244 0.000 1.024 346 V HN 0.749 nan 8.190 nan 0.000 0.431 347 T N 9.108 123.641 114.554 -0.035 0.000 2.794 347 T HA 0.545 4.894 4.350 -0.001 0.000 0.280 347 T C -2.749 172.040 174.700 0.149 0.000 0.987 347 T CA -1.165 60.924 62.100 -0.018 0.000 0.993 347 T CB 1.739 70.490 68.868 -0.194 0.000 0.939 347 T HN 0.527 nan 8.240 nan 0.000 0.449 348 P HA 0.252 nan 4.420 nan 0.000 0.269 348 P C -0.545 176.715 177.300 -0.066 0.000 1.215 348 P CA -0.377 62.673 63.100 -0.082 0.000 0.780 348 P CB 0.347 31.889 31.700 -0.264 0.000 0.898 349 A N 2.050 124.842 122.820 -0.046 0.000 2.483 349 A HA 0.429 4.748 4.320 -0.001 0.000 0.238 349 A C 1.470 178.997 177.584 -0.096 0.000 1.070 349 A CA 0.873 52.873 52.037 -0.061 0.000 0.770 349 A CB -1.284 17.723 19.000 0.013 0.000 1.008 349 A HN 0.856 nan 8.150 nan 0.000 0.497 350 G N 0.036 108.699 108.800 -0.227 0.000 2.213 350 G HA2 -0.099 3.860 3.960 -0.001 0.000 0.226 350 G HA3 -0.099 3.860 3.960 -0.001 0.000 0.226 350 G C 0.031 174.653 174.900 -0.464 0.000 0.992 350 G CA 0.061 45.083 45.100 -0.131 0.000 0.632 350 G HN 1.546 nan 8.290 nan 0.000 0.511 351 V N 1.234 120.723 119.914 -0.709 0.000 2.448 351 V HA 0.757 4.877 4.120 -0.001 0.000 0.295 351 V C -0.464 175.048 176.094 -0.969 0.000 1.025 351 V CA -0.949 60.932 62.300 -0.698 0.000 0.859 351 V CB 1.202 32.764 31.823 -0.434 0.000 0.988 351 V HN 0.272 nan 8.190 nan 0.000 0.431 352 Y N 4.350 124.280 120.300 -0.617 0.000 2.485 352 Y HA 0.762 5.312 4.550 -0.001 0.000 0.345 352 Y C -0.229 175.131 175.900 -0.900 0.000 0.998 352 Y CA -1.037 56.547 58.100 -0.860 0.000 1.059 352 Y CB 1.972 39.529 38.460 -1.504 0.000 1.234 352 Y HN 0.437 nan 8.280 nan 0.000 0.461 353 L N 2.991 123.975 121.223 -0.398 0.000 2.409 353 L HA 0.575 4.914 4.340 -0.001 0.000 0.262 353 L C -2.318 174.649 176.870 0.161 0.000 0.992 353 L CA -0.868 53.874 54.840 -0.163 0.000 0.817 353 L CB 2.527 44.434 42.059 -0.252 0.000 1.350 353 L HN 0.848 nan 8.230 nan 0.000 0.411 354 Y N 2.818 123.229 120.300 0.186 0.000 2.301 354 Y HA 0.402 4.952 4.550 -0.001 0.000 0.325 354 Y C -0.790 175.069 175.900 -0.068 0.000 1.103 354 Y CA -0.316 57.894 58.100 0.184 0.000 1.182 354 Y CB 1.635 40.338 38.460 0.403 0.000 1.139 354 Y HN 0.666 nan 8.280 nan 0.000 0.443 355 S N 4.675 119.961 115.700 -0.691 0.000 2.554 355 S HA 0.439 4.908 4.470 -0.001 0.000 0.278 355 S C 0.081 174.301 174.600 -0.633 0.000 1.242 355 S CA -0.371 57.553 58.200 -0.459 0.000 1.051 355 S CB 0.383 63.466 63.200 -0.195 0.000 0.986 355 S HN 0.645 nan 8.310 nan 0.000 0.502 356 F N 2.245 122.238 119.950 0.073 0.000 2.695 356 F HA 0.446 4.972 4.527 -0.001 0.000 0.303 356 F C 1.022 176.893 175.800 0.119 0.000 1.091 356 F CA -0.208 57.866 58.000 0.124 0.000 1.300 356 F CB 0.368 39.517 39.000 0.249 0.000 1.071 356 F HN 0.566 nan 8.300 nan 0.000 0.578 357 A N 0.115 123.068 122.820 0.221 0.000 2.354 357 A HA 0.614 4.934 4.320 -0.001 0.000 0.321 357 A C 0.662 178.305 177.584 0.098 0.000 1.125 357 A CA -0.532 51.620 52.037 0.191 0.000 0.799 357 A CB 1.044 20.197 19.000 0.254 0.000 1.293 357 A HN 0.240 nan 8.150 nan 0.000 0.452 358 L N -0.216 121.060 121.223 0.088 0.000 2.156 358 L HA 0.107 4.446 4.340 -0.001 0.000 0.208 358 L C 1.337 178.228 176.870 0.035 0.000 1.095 358 L CA 1.239 56.105 54.840 0.045 0.000 0.770 358 L CB -0.015 42.071 42.059 0.044 0.000 0.914 358 L HN 0.705 nan 8.230 nan 0.000 0.439 359 K N 0.338 120.781 120.400 0.071 0.000 2.827 359 K HA 0.199 4.518 4.320 -0.001 0.000 0.186 359 K C -1.954 174.723 176.600 0.129 0.000 1.093 359 K CA -1.339 54.990 56.287 0.070 0.000 0.993 359 K CB 1.313 33.848 32.500 0.059 0.000 1.199 359 K HN -0.215 nan 8.250 nan 0.000 0.598 360 P HA -0.159 nan 4.420 nan 0.000 0.221 360 P C 0.725 178.153 177.300 0.214 0.000 1.145 360 P CA 0.988 64.243 63.100 0.259 0.000 0.795 360 P CB 0.318 32.150 31.700 0.219 0.000 0.775 361 A N -0.279 122.663 122.820 0.204 0.000 2.251 361 A HA 0.386 4.705 4.320 -0.001 0.000 0.209 361 A C 1.329 178.953 177.584 0.066 0.000 1.187 361 A CA 0.209 52.312 52.037 0.111 0.000 0.823 361 A CB -0.751 18.401 19.000 0.252 0.000 0.846 361 A HN 0.294 nan 8.150 nan 0.000 0.486 362 G N -1.146 107.712 108.800 0.097 0.000 2.367 362 G HA2 0.435 4.394 3.960 -0.001 0.000 0.314 362 G HA3 0.435 4.394 3.960 -0.001 0.000 0.314 362 G C 0.618 175.598 174.900 0.133 0.000 1.130 362 G CA -0.566 44.592 45.100 0.097 0.000 0.864 362 G HN 0.084 nan 8.290 nan 0.000 0.486 363 R N 0.229 120.804 120.500 0.126 0.000 2.075 363 R HA 0.005 4.344 4.340 -0.001 0.000 0.232 363 R C 1.384 177.826 176.300 0.237 0.000 1.126 363 R CA 0.484 56.690 56.100 0.176 0.000 0.963 363 R CB -0.500 29.887 30.300 0.145 0.000 0.858 363 R HN 0.550 nan 8.270 nan 0.000 0.435 364 Q N 2.757 122.649 119.800 0.153 0.000 2.300 364 Q HA 0.068 4.407 4.340 -0.001 0.000 0.280 364 Q C -2.045 174.025 176.000 0.116 0.000 1.033 364 Q CA -1.521 54.344 55.803 0.103 0.000 0.903 364 Q CB 0.816 29.592 28.738 0.063 0.000 1.195 364 Q HN 0.083 nan 8.270 nan 0.000 0.386 365 P HA -0.017 nan 4.420 nan 0.000 0.265 365 P C -0.724 176.598 177.300 0.036 0.000 1.193 365 P CA 0.233 63.305 63.100 -0.046 0.000 0.765 365 P CB 0.539 31.997 31.700 -0.404 0.000 0.823 366 S N 0.972 116.738 115.700 0.109 0.000 2.801 366 S HA 0.542 5.012 4.470 -0.001 0.000 0.236 366 S C 0.027 174.701 174.600 0.123 0.000 0.852 366 S CA -0.083 58.173 58.200 0.094 0.000 1.089 366 S CB -0.628 62.629 63.200 0.094 0.000 1.376 366 S HN 0.889 nan 8.310 nan 0.000 0.470 367 G N 0.367 109.250 108.800 0.139 0.000 3.088 367 G HA2 0.339 4.298 3.960 -0.001 0.000 0.620 367 G HA3 0.339 4.298 3.960 -0.001 0.000 0.620 367 G C -0.841 174.208 174.900 0.249 0.000 1.375 367 G CA -0.188 45.017 45.100 0.176 0.000 1.016 367 G HN 0.573 nan 8.290 nan 0.000 0.590 368 T N 0.423 115.110 114.554 0.220 0.000 2.889 368 T HA 0.651 5.001 4.350 -0.001 0.000 0.315 368 T C -1.041 173.727 174.700 0.114 0.000 1.291 368 T CA 0.138 62.375 62.100 0.229 0.000 1.028 368 T CB 1.932 70.918 68.868 0.196 0.000 1.235 368 T HN 1.671 nan 8.240 nan 0.000 0.491 369 C N 3.521 122.825 119.300 0.006 0.000 2.396 369 C HA 0.643 5.103 4.460 -0.001 0.000 0.321 369 C C 0.023 175.004 174.990 -0.015 0.000 1.233 369 C CA -0.765 58.149 59.018 -0.172 0.000 1.440 369 C CB -0.256 27.071 27.740 -0.689 0.000 2.110 369 C HN 1.014 nan 8.230 nan 0.000 0.473 370 N N 3.937 122.612 118.700 -0.040 0.000 2.439 370 N HA 0.287 5.027 4.740 -0.001 0.000 0.243 370 N C 0.229 175.738 175.510 -0.002 0.000 1.088 370 N CA -0.324 52.746 53.050 0.034 0.000 0.940 370 N CB 0.322 38.805 38.487 -0.007 0.000 1.180 370 N HN 0.717 nan 8.380 nan 0.000 0.505 371 F N 1.082 120.997 119.950 -0.059 0.000 2.748 371 F HA 0.043 4.569 4.527 -0.001 0.000 0.299 371 F C 2.172 177.941 175.800 -0.052 0.000 1.154 371 F CA 0.268 58.247 58.000 -0.034 0.000 1.446 371 F CB 0.288 39.311 39.000 0.038 0.000 1.112 371 F HN 0.469 nan 8.300 nan 0.000 0.584 372 S N -0.693 115.054 115.700 0.078 0.000 2.607 372 S HA 0.012 4.482 4.470 -0.001 0.000 0.224 372 S C 1.916 176.509 174.600 -0.012 0.000 0.969 372 S CA 0.463 58.661 58.200 -0.004 0.000 0.927 372 S CB -0.077 63.104 63.200 -0.033 0.000 0.772 372 S HN 0.249 nan 8.310 nan 0.000 0.533 373 R N 0.184 120.667 120.500 -0.028 0.000 2.446 373 R HA 0.350 4.689 4.340 -0.001 0.000 0.254 373 R C -0.186 176.069 176.300 -0.075 0.000 0.918 373 R CA 0.083 56.154 56.100 -0.048 0.000 1.069 373 R CB 0.321 30.589 30.300 -0.052 0.000 1.194 373 R HN 0.353 nan 8.270 nan 0.000 0.534 374 I N 2.226 122.733 120.570 -0.105 0.000 2.287 374 I HA 0.051 4.220 4.170 -0.001 0.000 0.290 374 I C 0.847 176.917 176.117 -0.078 0.000 1.069 374 I CA -0.213 61.006 61.300 -0.135 0.000 1.237 374 I CB 1.209 39.044 38.000 -0.275 0.000 1.418 374 I HN -0.165 nan 8.210 nan 0.000 0.481 375 D N 3.719 124.082 120.400 -0.063 0.000 2.116 375 D HA -0.180 4.459 4.640 -0.001 0.000 0.193 375 D C 0.765 177.036 176.300 -0.048 0.000 0.998 375 D CA 1.677 55.649 54.000 -0.047 0.000 0.836 375 D CB 0.167 40.941 40.800 -0.043 0.000 0.951 375 D HN 0.493 nan 8.370 nan 0.000 0.449 376 N N -0.100 118.564 118.700 -0.060 0.000 2.491 376 N HA 0.352 5.091 4.740 -0.001 0.000 0.274 376 N C -1.830 173.640 175.510 -0.067 0.000 1.023 376 N CA -0.222 52.792 53.050 -0.059 0.000 0.902 376 N CB 1.796 40.247 38.487 -0.059 0.000 1.267 376 N HN -0.154 nan 8.380 nan 0.000 0.503 377 A N 2.686 125.482 122.820 -0.040 0.000 2.318 377 A HA 0.722 5.042 4.320 -0.001 0.000 0.317 377 A C -0.574 176.998 177.584 -0.020 0.000 1.159 377 A CA -0.348 51.685 52.037 -0.008 0.000 0.799 377 A CB 1.002 20.084 19.000 0.137 0.000 1.194 377 A HN 0.535 nan 8.150 nan 0.000 0.479 378 T N 2.339 116.865 114.554 -0.048 0.000 2.909 378 T HA 0.504 4.854 4.350 -0.001 0.000 0.299 378 T C -1.058 173.567 174.700 -0.125 0.000 1.073 378 T CA -0.381 61.665 62.100 -0.089 0.000 0.999 378 T CB 1.377 70.185 68.868 -0.101 0.000 1.098 378 T HN 0.581 nan 8.240 nan 0.000 0.477 379 L N 2.629 123.751 121.223 -0.168 0.000 2.294 379 L HA 0.580 4.920 4.340 -0.001 0.000 0.283 379 L C -0.067 176.659 176.870 -0.239 0.000 1.015 379 L CA -0.438 54.248 54.840 -0.257 0.000 0.831 379 L CB 1.196 43.035 42.059 -0.366 0.000 1.217 379 L HN 0.637 nan 8.230 nan 0.000 0.420 380 S N 5.945 121.504 115.700 -0.234 0.000 2.439 380 S HA 0.539 5.009 4.470 -0.001 0.000 0.282 380 S C -0.462 174.007 174.600 -0.218 0.000 1.170 380 S CA -0.503 57.581 58.200 -0.194 0.000 1.054 380 S CB 0.095 63.193 63.200 -0.169 0.000 0.956 380 S HN 0.538 nan 8.310 nan 0.000 0.490 381 L N 4.296 125.379 121.223 -0.234 0.000 2.334 381 L HA 0.601 4.940 4.340 -0.001 0.000 0.276 381 L C -0.078 176.535 176.870 -0.427 0.000 1.014 381 L CA -0.648 53.987 54.840 -0.343 0.000 0.815 381 L CB 2.385 44.203 42.059 -0.401 0.000 1.268 381 L HN 0.488 nan 8.230 nan 0.000 0.428 382 T N 0.791 115.069 114.554 -0.461 0.000 2.879 382 T HA 0.528 4.877 4.350 -0.001 0.000 0.290 382 T C -0.972 173.475 174.700 -0.421 0.000 0.993 382 T CA -0.503 61.388 62.100 -0.347 0.000 0.975 382 T CB 0.854 69.637 68.868 -0.141 0.000 0.981 382 T HN 0.156 nan 8.240 nan 0.000 0.439 383 Y N 1.267 121.531 120.300 -0.060 0.000 2.432 383 Y HA 0.542 5.091 4.550 -0.001 0.000 0.322 383 Y C 1.062 176.934 175.900 -0.047 0.000 1.246 383 Y CA -1.161 56.884 58.100 -0.091 0.000 1.268 383 Y CB 1.010 39.394 38.460 -0.127 0.000 1.276 383 Y HN 0.345 nan 8.280 nan 0.000 0.499 384 K N 0.018 120.497 120.400 0.131 0.000 2.138 384 K HA 0.286 4.606 4.320 -0.001 0.000 0.251 384 K C -0.597 176.044 176.600 0.068 0.000 1.015 384 K CA -0.536 55.798 56.287 0.078 0.000 0.917 384 K CB 0.422 32.962 32.500 0.067 0.000 1.021 384 K HN 0.533 nan 8.250 nan 0.000 0.485 385 T N 1.528 116.110 114.554 0.046 0.000 2.723 385 T HA 0.078 4.428 4.350 -0.001 0.000 0.297 385 T C -0.088 174.625 174.700 0.022 0.000 0.925 385 T CA -0.457 61.662 62.100 0.032 0.000 1.030 385 T CB -0.311 68.572 68.868 0.025 0.000 0.905 385 T HN 0.520 nan 8.240 nan 0.000 0.502 386 C N 4.338 123.645 119.300 0.011 0.000 2.645 386 C HA 0.187 4.646 4.460 -0.001 0.000 0.451 386 C C 2.040 177.032 174.990 0.004 0.000 1.018 386 C CA -0.657 58.364 59.018 0.005 0.000 1.180 386 C CB -2.413 25.321 27.740 -0.010 0.000 1.563 386 C HN 1.019 nan 8.230 nan 0.000 0.551 387 S N 0.181 115.886 115.700 0.009 0.000 2.505 387 S HA 0.226 4.696 4.470 -0.001 0.000 0.216 387 S C 0.335 174.939 174.600 0.007 0.000 1.018 387 S CA -0.076 58.129 58.200 0.007 0.000 0.911 387 S CB -0.117 63.088 63.200 0.009 0.000 0.818 387 S HN 0.653 nan 8.310 nan 0.000 0.497 388 I N 3.387 123.962 120.570 0.009 0.000 2.648 388 I HA 0.102 4.271 4.170 -0.001 0.000 0.284 388 I C 0.159 176.279 176.117 0.005 0.000 1.153 388 I CA -0.135 61.170 61.300 0.008 0.000 1.426 388 I CB 0.257 38.264 38.000 0.011 0.000 1.381 388 I HN 0.141 nan 8.210 nan 0.000 0.571 389 D N 5.604 126.006 120.400 0.004 0.000 2.342 389 D HA 0.185 4.825 4.640 -0.001 0.000 0.260 389 D C 0.965 177.265 176.300 0.000 0.000 1.278 389 D CA -0.011 53.990 54.000 0.001 0.000 0.910 389 D CB 1.308 42.109 40.800 0.001 0.000 1.079 389 D HN 0.600 nan 8.370 nan 0.000 0.496 390 A N 3.103 125.922 122.820 -0.002 0.000 2.024 390 A HA -0.184 4.135 4.320 -0.001 0.000 0.220 390 A C 2.078 179.658 177.584 -0.007 0.000 1.164 390 A CA 2.009 54.044 52.037 -0.004 0.000 0.643 390 A CB -0.826 18.170 19.000 -0.007 0.000 0.806 390 A HN 0.681 nan 8.150 nan 0.000 0.451 391 T N -3.331 111.219 114.554 -0.006 0.000 3.085 391 T HA 0.121 4.470 4.350 -0.001 0.000 0.263 391 T C 0.901 175.598 174.700 -0.005 0.000 1.127 391 T CA 0.850 62.946 62.100 -0.007 0.000 1.103 391 T CB -0.310 68.554 68.868 -0.006 0.000 0.921 391 T HN 0.280 nan 8.240 nan 0.000 0.510 392 S N 2.126 117.824 115.700 -0.003 0.000 2.422 392 S HA 0.416 4.886 4.470 -0.001 0.000 0.298 392 S C -1.873 172.727 174.600 -0.001 0.000 1.118 392 S CA -1.660 56.539 58.200 -0.001 0.000 1.083 392 S CB 1.313 64.513 63.200 0.000 0.000 0.971 392 S HN 0.019 nan 8.310 nan 0.000 0.478 393 P HA -0.005 nan 4.420 nan 0.000 0.215 393 P C 1.426 178.727 177.300 0.002 0.000 1.157 393 P CA 1.262 64.362 63.100 0.000 0.000 0.863 393 P CB 0.047 31.747 31.700 -0.001 0.000 0.787 394 A N -0.051 122.770 122.820 0.002 0.000 1.940 394 A HA -0.180 4.140 4.320 -0.001 0.000 0.219 394 A C 2.281 179.867 177.584 0.005 0.000 1.176 394 A CA 2.294 54.334 52.037 0.003 0.000 0.631 394 A CB -1.594 17.408 19.000 0.003 0.000 0.814 394 A HN 0.212 nan 8.150 nan 0.000 0.446 395 A N -0.781 122.041 122.820 0.004 0.000 1.874 395 A HA 0.109 4.429 4.320 -0.001 0.000 0.214 395 A C 2.189 179.778 177.584 0.008 0.000 1.189 395 A CA 1.523 53.563 52.037 0.006 0.000 0.615 395 A CB -0.801 18.202 19.000 0.005 0.000 0.830 395 A HN 0.402 nan 8.150 nan 0.000 0.443 396 V N 0.214 120.132 119.914 0.007 0.000 2.427 396 V HA -0.181 3.939 4.120 -0.001 0.000 0.248 396 V C 2.278 178.379 176.094 0.012 0.000 1.051 396 V CA 1.636 63.942 62.300 0.009 0.000 1.048 396 V CB -0.728 31.099 31.823 0.006 0.000 0.666 396 V HN 0.530 nan 8.190 nan 0.000 0.456 397 L N 0.162 121.391 121.223 0.010 0.000 2.554 397 L HA 0.258 4.597 4.340 -0.001 0.000 0.226 397 L C 1.289 178.166 176.870 0.011 0.000 1.137 397 L CA 0.766 55.613 54.840 0.011 0.000 0.863 397 L CB -0.202 41.862 42.059 0.008 0.000 0.985 397 L HN 0.454 nan 8.230 nan 0.000 0.451 398 G N -0.195 108.611 108.800 0.010 0.000 4.332 398 G HA2 0.273 4.233 3.960 -0.001 0.000 0.321 398 G HA3 0.273 4.233 3.960 -0.001 0.000 0.321 398 G C -0.792 174.114 174.900 0.011 0.000 1.439 398 G CA -0.279 44.827 45.100 0.010 0.000 0.900 398 G HN -0.067 nan 8.290 nan 0.000 0.515 399 N N -0.350 118.358 118.700 0.014 0.000 2.697 399 N HA 0.518 5.257 4.740 -0.001 0.000 0.272 399 N C -0.268 175.253 175.510 0.019 0.000 1.381 399 N CA -0.358 52.701 53.050 0.016 0.000 0.797 399 N CB 2.100 40.598 38.487 0.017 0.000 1.523 399 N HN 0.085 nan 8.380 nan 0.000 0.518 400 T N 0.366 114.932 114.554 0.020 0.000 2.828 400 T HA 0.047 4.397 4.350 -0.001 0.000 0.290 400 T C 1.412 176.130 174.700 0.029 0.000 1.019 400 T CA -0.157 61.956 62.100 0.022 0.000 1.031 400 T CB 0.789 69.669 68.868 0.020 0.000 1.001 400 T HN 0.510 nan 8.240 nan 0.000 0.531 401 E N 0.292 120.511 120.200 0.032 0.000 2.347 401 E HA -0.103 4.246 4.350 -0.001 0.000 0.196 401 E C 1.339 177.968 176.600 0.049 0.000 1.008 401 E CA 0.981 57.406 56.400 0.042 0.000 0.852 401 E CB 0.073 29.797 29.700 0.040 0.000 0.783 401 E HN 0.764 nan 8.360 nan 0.000 0.505 402 T N -1.476 113.102 114.554 0.041 0.000 3.105 402 T HA 0.200 4.549 4.350 -0.001 0.000 0.253 402 T C 0.414 175.139 174.700 0.042 0.000 1.047 402 T CA 0.022 62.147 62.100 0.042 0.000 0.944 402 T CB 0.212 69.100 68.868 0.034 0.000 1.016 402 T HN 0.038 nan 8.240 nan 0.000 0.544 403 V N -1.904 118.033 119.914 0.039 0.000 3.001 403 V HA 0.926 5.045 4.120 -0.001 0.000 0.314 403 V C -0.615 175.502 176.094 0.037 0.000 1.099 403 V CA -0.759 61.562 62.300 0.035 0.000 0.989 403 V CB 1.866 33.705 31.823 0.026 0.000 1.040 403 V HN 0.257 nan 8.190 nan 0.000 0.434 404 T N 0.631 115.204 114.554 0.032 0.000 2.645 404 T HA 0.865 5.214 4.350 -0.001 0.000 0.273 404 T C -0.032 174.680 174.700 0.020 0.000 0.960 404 T CA -0.204 61.915 62.100 0.031 0.000 1.051 404 T CB 1.473 70.362 68.868 0.035 0.000 1.366 404 T HN 1.436 nan 8.240 nan 0.000 0.536 405 A N 1.084 123.914 122.820 0.016 0.000 2.327 405 A HA 0.474 4.793 4.320 -0.001 0.000 0.283 405 A C 1.132 178.718 177.584 0.003 0.000 1.127 405 A CA -0.710 51.331 52.037 0.008 0.000 0.810 405 A CB -0.070 18.933 19.000 0.005 0.000 1.066 405 A HN 0.867 nan 8.150 nan 0.000 0.492 406 N N 1.518 120.218 118.700 -0.000 0.000 2.417 406 N HA -0.157 4.583 4.740 -0.001 0.000 0.187 406 N C 0.948 176.453 175.510 -0.007 0.000 1.027 406 N CA 2.070 55.117 53.050 -0.005 0.000 0.891 406 N CB -0.949 37.535 38.487 -0.004 0.000 0.956 406 N HN 0.533 nan 8.380 nan 0.000 0.442 407 T N -0.453 114.098 114.554 -0.005 0.000 3.025 407 T HA 0.051 4.401 4.350 -0.001 0.000 0.270 407 T C 1.765 176.463 174.700 -0.002 0.000 1.126 407 T CA 0.953 63.050 62.100 -0.005 0.000 1.105 407 T CB -0.386 68.478 68.868 -0.007 0.000 0.884 407 T HN 0.562 nan 8.240 nan 0.000 0.522 408 A N 1.602 124.419 122.820 -0.004 0.000 2.172 408 A HA -0.056 4.264 4.320 -0.001 0.000 0.216 408 A C 2.434 179.999 177.584 -0.032 0.000 1.154 408 A CA 1.493 53.526 52.037 -0.008 0.000 0.701 408 A CB -0.917 18.077 19.000 -0.010 0.000 0.789 408 A HN 0.570 nan 8.150 nan 0.000 0.465 409 T N 0.069 114.603 114.554 -0.034 0.000 2.833 409 T HA -0.091 4.259 4.350 -0.001 0.000 0.269 409 T C 1.632 176.316 174.700 -0.027 0.000 1.054 409 T CA 1.243 63.315 62.100 -0.047 0.000 1.135 409 T CB -0.453 68.395 68.868 -0.033 0.000 0.869 409 T HN 0.427 nan 8.240 nan 0.000 0.466 410 L N 0.216 121.439 121.223 -0.001 0.000 2.376 410 L HA 0.162 4.501 4.340 -0.001 0.000 0.219 410 L C 0.894 177.794 176.870 0.050 0.000 1.133 410 L CA 0.535 55.388 54.840 0.022 0.000 0.816 410 L CB -0.760 41.314 42.059 0.024 0.000 0.933 410 L HN 0.283 nan 8.230 nan 0.000 0.449 411 L N 1.628 122.886 121.223 0.058 0.000 2.415 411 L HA 0.033 4.372 4.340 -0.001 0.000 0.269 411 L C 1.204 178.151 176.870 0.129 0.000 1.244 411 L CA -0.056 54.862 54.840 0.131 0.000 1.113 411 L CB -0.314 41.841 42.059 0.160 0.000 1.352 411 L HN 0.182 nan 8.230 nan 0.000 0.433 412 T N -2.852 111.778 114.554 0.126 0.000 3.040 412 T HA 0.326 4.676 4.350 -0.001 0.000 0.266 412 T C 0.590 175.383 174.700 0.154 0.000 1.005 412 T CA -0.018 62.148 62.100 0.111 0.000 0.906 412 T CB 0.610 69.510 68.868 0.055 0.000 1.082 412 T HN 0.369 nan 8.240 nan 0.000 0.531 413 A N 1.985 124.922 122.820 0.194 0.000 2.444 413 A HA 0.666 4.986 4.320 -0.001 0.000 0.332 413 A C -0.149 177.556 177.584 0.201 0.000 1.430 413 A CA -0.674 51.473 52.037 0.184 0.000 0.975 413 A CB -0.033 19.079 19.000 0.186 0.000 1.147 413 A HN 0.618 nan 8.150 nan 0.000 0.524 414 L N 3.707 125.023 121.223 0.154 0.000 2.325 414 L HA 0.229 4.568 4.340 -0.001 0.000 0.284 414 L C -0.724 176.174 176.870 0.045 0.000 1.089 414 L CA -0.362 54.502 54.840 0.041 0.000 0.836 414 L CB 0.335 42.416 42.059 0.038 0.000 1.184 414 L HN 0.632 nan 8.230 nan 0.000 0.444 415 N N 6.952 125.695 118.700 0.071 0.000 2.424 415 N HA 0.448 5.188 4.740 -0.001 0.000 0.271 415 N C -0.837 174.702 175.510 0.050 0.000 0.985 415 N CA -0.279 52.864 53.050 0.156 0.000 0.921 415 N CB 2.246 40.848 38.487 0.192 0.000 1.149 415 N HN 0.483 nan 8.380 nan 0.000 0.492 416 I N 3.001 123.573 120.570 0.004 0.000 2.389 416 I HA 0.326 4.496 4.170 -0.001 0.000 0.288 416 I C -0.832 175.336 176.117 0.086 0.000 0.999 416 I CA -0.703 60.679 61.300 0.137 0.000 1.129 416 I CB 0.746 38.839 38.000 0.154 0.000 1.288 416 I HN 0.308 nan 8.210 nan 0.000 0.444 417 Y N 4.386 124.920 120.300 0.389 0.000 2.487 417 Y HA 0.808 5.357 4.550 -0.001 0.000 0.337 417 Y C 0.222 176.016 175.900 -0.176 0.000 1.076 417 Y CA -0.978 57.207 58.100 0.143 0.000 1.115 417 Y CB 1.997 40.514 38.460 0.096 0.000 1.235 417 Y HN 0.543 nan 8.280 nan 0.000 0.468 418 A N 2.281 124.856 122.820 -0.408 0.000 2.408 418 A HA 0.704 5.023 4.320 -0.001 0.000 0.295 418 A C -1.498 175.722 177.584 -0.608 0.000 1.040 418 A CA -0.934 50.656 52.037 -0.745 0.000 0.707 418 A CB 1.376 19.357 19.000 -1.697 0.000 1.235 418 A HN 0.560 nan 8.150 nan 0.000 0.418 419 K N 2.331 122.302 120.400 -0.715 0.000 2.235 419 K HA 0.467 4.787 4.320 -0.001 0.000 0.266 419 K C -0.290 176.014 176.600 -0.492 0.000 0.980 419 K CA -0.321 55.581 56.287 -0.641 0.000 0.849 419 K CB 0.638 32.608 32.500 -0.885 0.000 1.098 419 K HN 0.903 nan 8.250 nan 0.000 0.445 420 N N 2.083 120.581 118.700 -0.338 0.000 2.577 420 N HA 0.287 5.026 4.740 -0.001 0.000 0.285 420 N C -1.009 174.346 175.510 -0.258 0.000 1.309 420 N CA -0.565 52.350 53.050 -0.226 0.000 0.798 420 N CB 0.727 39.182 38.487 -0.052 0.000 1.463 420 N HN 0.232 nan 8.380 nan 0.000 0.518 421 Y N -0.618 119.664 120.300 -0.030 0.000 2.453 421 Y HA 0.493 5.043 4.550 -0.001 0.000 0.326 421 Y C 0.660 176.505 175.900 -0.092 0.000 1.186 421 Y CA -0.269 57.808 58.100 -0.037 0.000 1.200 421 Y CB 1.236 39.690 38.460 -0.011 0.000 1.247 421 Y HN 0.604 nan 8.280 nan 0.000 0.482 422 N N -0.625 118.136 118.700 0.103 0.000 3.116 422 N HA 0.475 5.214 4.740 -0.001 0.000 0.244 422 N C -2.264 173.287 175.510 0.069 0.000 1.485 422 N CA -0.368 52.691 53.050 0.016 0.000 0.884 422 N CB 2.098 40.515 38.487 -0.117 0.000 1.415 422 N HN 0.317 nan 8.380 nan 0.000 0.524 423 V N 1.810 121.792 119.914 0.113 0.000 2.495 423 V HA 0.507 4.626 4.120 -0.001 0.000 0.298 423 V C -0.066 176.031 176.094 0.005 0.000 1.031 423 V CA -0.758 61.587 62.300 0.075 0.000 0.871 423 V CB 1.674 33.578 31.823 0.135 0.000 0.988 423 V HN 0.523 nan 8.190 nan 0.000 0.432 424 L N 6.906 128.130 121.223 0.002 0.000 2.295 424 L HA 0.590 4.930 4.340 -0.001 0.000 0.281 424 L C 0.403 177.335 176.870 0.102 0.000 1.018 424 L CA -0.571 54.268 54.840 -0.002 0.000 0.841 424 L CB 0.511 42.507 42.059 -0.106 0.000 1.218 424 L HN 0.779 nan 8.230 nan 0.000 0.424 425 R N 5.238 125.768 120.500 0.050 0.000 2.297 425 R HA 0.623 4.963 4.340 -0.001 0.000 0.308 425 R C -1.230 175.113 176.300 0.073 0.000 1.029 425 R CA -0.581 55.556 56.100 0.061 0.000 0.929 425 R CB 1.350 31.647 30.300 -0.005 0.000 1.046 425 R HN 0.522 nan 8.270 nan 0.000 0.461 426 I N 4.381 125.028 120.570 0.130 0.000 2.498 426 I HA 0.482 4.651 4.170 -0.001 0.000 0.290 426 I C -0.358 175.792 176.117 0.054 0.000 1.032 426 I CA -0.859 60.510 61.300 0.114 0.000 1.073 426 I CB 1.996 40.145 38.000 0.248 0.000 1.251 426 I HN 0.684 nan 8.210 nan 0.000 0.426 427 M N 3.945 123.543 119.600 -0.003 0.000 2.569 427 M HA 0.194 4.674 4.480 -0.001 0.000 0.287 427 M C -0.597 175.694 176.300 -0.016 0.000 1.130 427 M CA -0.141 55.141 55.300 -0.031 0.000 0.885 427 M CB 2.090 34.660 32.600 -0.051 0.000 1.759 427 M HN 0.560 nan 8.290 nan 0.000 0.515 428 S N 2.024 117.727 115.700 0.004 0.000 3.614 428 S HA -0.143 4.327 4.470 -0.001 0.000 0.360 428 S C 0.758 175.444 174.600 0.143 0.000 1.023 428 S CA 1.787 60.026 58.200 0.065 0.000 1.114 428 S CB -2.007 61.224 63.200 0.052 0.000 0.907 428 S HN 1.861 nan 8.310 nan 0.000 0.470 429 G N -0.068 108.749 108.800 0.028 0.000 2.162 429 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.260 429 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.260 429 G C -0.095 174.763 174.900 -0.070 0.000 0.976 429 G CA 0.720 45.756 45.100 -0.107 0.000 0.655 429 G HN 1.260 nan 8.290 nan 0.000 0.533 430 M N -1.808 117.706 119.600 -0.144 0.000 2.622 430 M HA 0.772 5.251 4.480 -0.001 0.000 0.276 430 M C -0.075 175.978 176.300 -0.411 0.000 1.265 430 M CA -0.354 54.614 55.300 -0.553 0.000 0.850 430 M CB 1.691 33.787 32.600 -0.840 0.000 1.720 430 M HN 0.910 nan 8.290 nan 0.000 0.465 431 G N -0.649 107.861 108.800 -0.484 0.000 2.642 431 G HA2 0.873 4.833 3.960 -0.001 0.000 0.293 431 G HA3 0.873 4.833 3.960 -0.001 0.000 0.293 431 G C -1.404 173.509 174.900 0.021 0.000 1.341 431 G CA -0.592 44.444 45.100 -0.106 0.000 0.916 431 G HN 1.137 nan 8.290 nan 0.000 0.474 432 G N -0.750 108.063 108.800 0.022 0.000 2.667 432 G HA2 0.510 4.470 3.960 -0.001 0.000 0.294 432 G HA3 0.510 4.470 3.960 -0.001 0.000 0.294 432 G C -0.927 173.966 174.900 -0.011 0.000 1.467 432 G CA -0.882 44.238 45.100 0.034 0.000 0.852 432 G HN 0.650 nan 8.290 nan 0.000 0.521 433 L N 1.170 122.381 121.223 -0.020 0.000 2.426 433 L HA 0.348 4.687 4.340 -0.001 0.000 0.271 433 L C 1.840 178.647 176.870 -0.104 0.000 1.169 433 L CA -0.184 54.627 54.840 -0.049 0.000 0.836 433 L CB 1.472 43.512 42.059 -0.032 0.000 1.112 433 L HN 0.772 nan 8.230 nan 0.000 0.465 434 A N 3.340 126.055 122.820 -0.175 0.000 2.067 434 A HA 0.018 4.338 4.320 -0.001 0.000 0.217 434 A C 0.108 177.205 177.584 -0.812 0.000 1.156 434 A CA 0.975 52.726 52.037 -0.478 0.000 0.683 434 A CB -0.056 18.615 19.000 -0.548 0.000 0.808 434 A HN 0.607 nan 8.150 nan 0.000 0.455 435 Y N -1.738 118.555 120.300 -0.010 0.000 2.421 435 Y HA 0.623 5.173 4.550 -0.001 0.000 0.339 435 Y C 0.277 176.234 175.900 0.096 0.000 0.996 435 Y CA -0.765 57.364 58.100 0.049 0.000 1.046 435 Y CB 1.500 40.002 38.460 0.069 0.000 1.226 435 Y HN 0.164 nan 8.280 nan 0.000 0.445 436 A N 2.651 125.650 122.820 0.297 0.000 2.261 436 A HA 0.928 5.248 4.320 -0.001 0.000 0.323 436 A C -0.406 177.388 177.584 0.350 0.000 1.107 436 A CA -0.351 51.840 52.037 0.256 0.000 0.883 436 A CB 0.957 20.038 19.000 0.135 0.000 1.251 436 A HN 0.865 nan 8.150 nan 0.000 0.502 437 N N 0.000 118.838 118.700 0.231 0.000 1.763 437 N HA 0.000 4.739 4.740 -0.001 0.000 0.220 437 N CA 0.000 53.097 53.050 0.078 0.000 0.885 437 N CB 0.000 38.364 38.487 -0.205 0.000 1.341 437 N HN 0.000 nan 8.380 nan 0.000 0.667