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 3kk7_1_B DATA FIRST_RESID 36 DATA SEQUENCE TSEIILQERN SSLPRVWSKK TXXXXXXXXX FTDATDFLGC SYAVENGTSI DATA SEQUENCE IGDFANAKYP VVNXKKLLER YPSYINPKEL RTTETKALSY SDFDRLEKNK DATA SEQUENCE TFTKTVKSGF SLNLGPFKFG RQKTIKETFV HNTDDSEKVV HGELSIEVVN DATA SEQUENCE GXLNLQTAPS ALRKIAADYL DELFVDALYN SSXVELXQSY GEFVLTGYYT DATA SEQUENCE GGRASALFYG VDTNSIQFDS KEKDXDVAIN ASYEWKXXXX XXXXXXXXXX DATA SEQUENCE XGNLSIGTKR ENSETITNKF SALSYSIKTL GGAYGYSIST PPYDITNYSI DATA SEQUENCE DLTPWLQSLN DPKTHTXIDL QDGGLYPISD FILEENFKQR YNDTHXDFQY DATA SEQUENCE QESLEEPYIE IIKXYIRKSN SGEKLYDIVP VLNTRQGDKL IFSNPDAASQ DATA SEQUENCE SDEELKANSI PATFLTKSNA IKDEKSKYYQ LKIKADPNKT INPIIQTTLS DATA SEQUENCE FQINNVDEKG XYKFKNANTN IWYIYNPTSX YCFAYYDDDY IPDAYGILDW DATA SEQUENCE VNGIPIKAVT XTTLYQRYKI YGL 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 36 T HA 0.000 nan 4.350 nan 0.000 0.228 36 T C 0.000 174.683 174.700 -0.028 0.000 1.109 36 T CA 0.000 62.083 62.100 -0.028 0.000 1.349 36 T CB 0.000 68.851 68.868 -0.028 0.000 0.612 37 S N 0.654 116.334 115.700 -0.034 0.000 2.523 37 S HA 0.295 4.765 4.470 -0.000 0.000 0.217 37 S C 0.411 175.001 174.600 -0.016 0.000 0.996 37 S CA -0.314 57.866 58.200 -0.034 0.000 0.921 37 S CB 0.298 63.460 63.200 -0.064 0.000 0.829 37 S HN 0.518 nan 8.310 nan 0.000 0.495 38 E N 1.309 121.497 120.200 -0.019 0.000 2.376 38 E HA 0.340 4.690 4.350 -0.000 0.000 0.266 38 E C -1.007 175.591 176.600 -0.003 0.000 1.009 38 E CA -0.239 56.156 56.400 -0.010 0.000 0.902 38 E CB 0.505 30.184 29.700 -0.034 0.000 0.972 38 E HN 0.513 nan 8.360 nan 0.000 0.439 39 I N 5.542 126.122 120.570 0.016 0.000 2.498 39 I HA 0.235 4.405 4.170 -0.000 0.000 0.290 39 I C -0.929 175.185 176.117 -0.004 0.000 1.032 39 I CA -1.095 60.211 61.300 0.010 0.000 1.073 39 I CB 1.205 39.225 38.000 0.032 0.000 1.251 39 I HN 0.538 nan 8.210 nan 0.000 0.426 40 I N 8.264 128.823 120.570 -0.018 0.000 2.337 40 I HA 0.123 4.293 4.170 -0.000 0.000 0.291 40 I C 0.825 176.932 176.117 -0.018 0.000 1.046 40 I CA 0.106 61.390 61.300 -0.026 0.000 1.324 40 I CB 1.155 39.136 38.000 -0.031 0.000 1.409 40 I HN 0.693 nan 8.210 nan 0.000 0.494 41 L N 4.564 125.776 121.223 -0.019 0.000 2.408 41 L HA 0.162 4.502 4.340 -0.000 0.000 0.215 41 L C 0.790 177.651 176.870 -0.015 0.000 1.081 41 L CA 0.392 55.219 54.840 -0.021 0.000 0.840 41 L CB 0.103 42.143 42.059 -0.033 0.000 1.002 41 L HN 0.626 nan 8.230 nan 0.000 0.468 42 Q N 0.737 120.532 119.800 -0.009 0.000 2.275 42 Q HA 0.191 4.531 4.340 -0.000 0.000 0.258 42 Q C -0.936 175.067 176.000 0.006 0.000 0.960 42 Q CA -0.528 55.276 55.803 0.001 0.000 0.801 42 Q CB 1.944 30.687 28.738 0.009 0.000 1.302 42 Q HN -0.020 nan 8.270 nan 0.000 0.433 43 E N 2.246 122.450 120.200 0.007 0.000 2.404 43 E HA 0.037 4.387 4.350 -0.000 0.000 0.261 43 E C -0.261 176.357 176.600 0.030 0.000 1.074 43 E CA -0.074 56.333 56.400 0.011 0.000 0.917 43 E CB 0.627 30.333 29.700 0.010 0.000 0.965 43 E HN 0.534 nan 8.360 nan 0.000 0.433 44 R N 2.708 123.232 120.500 0.041 0.000 2.538 44 R HA -0.096 4.244 4.340 -0.000 0.000 0.282 44 R C 0.371 176.711 176.300 0.066 0.000 1.009 44 R CA -0.237 55.905 56.100 0.070 0.000 1.063 44 R CB 0.289 30.648 30.300 0.098 0.000 0.945 44 R HN 0.339 nan 8.270 nan 0.000 0.414 45 N N 2.506 121.249 118.700 0.071 0.000 2.411 45 N HA -0.111 4.629 4.740 -0.000 0.000 0.265 45 N C 0.538 176.083 175.510 0.058 0.000 1.266 45 N CA 0.852 53.937 53.050 0.057 0.000 0.889 45 N CB 0.980 39.502 38.487 0.058 0.000 1.069 45 N HN 0.681 nan 8.380 nan 0.000 0.476 46 S N 1.613 117.339 115.700 0.043 0.000 2.481 46 S HA -0.130 4.340 4.470 -0.000 0.000 0.231 46 S C 1.640 176.259 174.600 0.032 0.000 0.996 46 S CA 0.828 59.051 58.200 0.038 0.000 0.942 46 S CB -0.398 62.818 63.200 0.027 0.000 0.768 46 S HN 0.633 nan 8.310 nan 0.000 0.520 47 S N 0.881 116.599 115.700 0.031 0.000 2.527 47 S HA 0.276 4.746 4.470 -0.000 0.000 0.222 47 S C 0.572 175.189 174.600 0.030 0.000 0.985 47 S CA -0.474 57.741 58.200 0.025 0.000 0.921 47 S CB -0.682 62.532 63.200 0.023 0.000 0.772 47 S HN 0.485 nan 8.310 nan 0.000 0.529 48 L N 2.745 123.995 121.223 0.045 0.000 2.436 48 L HA 0.388 4.728 4.340 -0.000 0.000 0.265 48 L C -1.836 175.049 176.870 0.025 0.000 1.168 48 L CA -2.164 52.706 54.840 0.051 0.000 0.815 48 L CB 0.060 42.172 42.059 0.089 0.000 1.109 48 L HN 0.114 nan 8.230 nan 0.000 0.462 49 P HA 0.135 nan 4.420 nan 0.000 0.274 49 P C -0.966 176.242 177.300 -0.153 0.000 1.246 49 P CA -0.403 62.657 63.100 -0.068 0.000 0.795 49 P CB 0.548 32.209 31.700 -0.066 0.000 1.006 50 R N 0.331 120.640 120.500 -0.319 0.000 3.135 50 R HA 0.405 4.745 4.340 -0.000 0.000 0.343 50 R C -0.825 174.676 176.300 -1.331 0.000 1.227 50 R CA -0.390 55.288 56.100 -0.702 0.000 1.227 50 R CB 0.473 30.623 30.300 -0.250 0.000 1.436 50 R HN 0.205 nan 8.270 nan 0.000 0.595 51 V N 0.813 120.057 119.914 -1.117 0.000 2.378 51 V HA 0.214 4.334 4.120 -0.000 0.000 0.288 51 V C -0.142 175.648 176.094 -0.508 0.000 1.016 51 V CA -0.578 61.242 62.300 -0.801 0.000 0.840 51 V CB 1.195 32.804 31.823 -0.358 0.000 0.994 51 V HN 0.615 nan 8.190 nan 0.000 0.431 52 W N 2.852 124.225 121.300 0.122 0.000 3.058 52 W HA 0.328 4.988 4.660 -0.000 0.000 0.306 52 W C 0.833 177.527 176.519 0.291 0.000 1.188 52 W CA 0.067 57.521 57.345 0.182 0.000 1.651 52 W CB 0.444 29.953 29.460 0.082 0.000 1.051 52 W HN 0.619 nan 8.180 nan 0.000 0.592 53 S N 0.954 116.814 115.700 0.267 0.000 2.550 53 S HA 0.560 5.030 4.470 -0.000 0.000 0.270 53 S C -1.129 173.343 174.600 -0.212 0.000 1.145 53 S CA -1.238 57.058 58.200 0.159 0.000 0.852 53 S CB 1.841 65.133 63.200 0.154 0.000 1.119 53 S HN 0.138 nan 8.310 nan 0.000 0.465 54 K N -0.830 119.412 120.400 -0.263 0.000 2.502 54 K HA 0.736 5.056 4.320 -0.000 0.000 0.254 54 K C -0.379 176.161 176.600 -0.101 0.000 0.947 54 K CA -0.846 55.274 56.287 -0.278 0.000 0.834 54 K CB 1.241 33.480 32.500 -0.436 0.000 1.112 54 K HN 0.698 nan 8.250 nan 0.000 0.427 55 K N 2.625 122.979 120.400 -0.077 0.000 2.449 55 K HA 0.208 4.528 4.320 -0.000 0.000 0.237 55 K C 0.543 177.119 176.600 -0.041 0.000 1.265 55 K CA 0.589 56.852 56.287 -0.041 0.000 1.193 55 K CB -1.206 31.274 32.500 -0.034 0.000 1.515 55 K HN 0.894 nan 8.250 nan 0.000 0.259 67 T N -3.394 111.167 114.554 0.012 0.000 3.092 67 T HA 0.369 4.719 4.350 -0.000 0.000 0.258 67 T C -0.246 174.446 174.700 -0.013 0.000 1.031 67 T CA -0.044 62.054 62.100 -0.003 0.000 0.925 67 T CB 0.536 69.395 68.868 -0.013 0.000 1.036 67 T HN 0.322 nan 8.240 nan 0.000 0.544 68 D N -0.566 119.811 120.400 -0.039 0.000 2.859 68 D HA 0.653 5.293 4.640 -0.000 0.000 0.223 68 D C 0.801 177.080 176.300 -0.036 0.000 1.218 68 D CA -0.387 53.600 54.000 -0.022 0.000 0.850 68 D CB 1.553 42.344 40.800 -0.015 0.000 1.656 68 D HN -0.066 nan 8.370 nan 0.000 0.484 69 A N 1.521 124.402 122.820 0.102 0.000 2.067 69 A HA -0.042 4.278 4.320 -0.000 0.000 0.219 69 A C 1.813 179.604 177.584 0.344 0.000 1.158 69 A CA 1.866 54.077 52.037 0.291 0.000 0.661 69 A CB -0.732 18.444 19.000 0.294 0.000 0.801 69 A HN 0.651 nan 8.150 nan 0.000 0.452 70 T N -3.373 111.283 114.554 0.170 0.000 3.148 70 T HA 0.004 4.354 4.350 -0.000 0.000 0.253 70 T C 0.523 175.297 174.700 0.124 0.000 1.134 70 T CA 1.025 63.226 62.100 0.168 0.000 1.051 70 T CB -0.227 68.685 68.868 0.074 0.000 0.959 70 T HN 0.261 nan 8.240 nan 0.000 0.525 71 D N 0.167 120.532 120.400 -0.058 0.000 2.339 71 D HA 0.207 4.847 4.640 -0.000 0.000 0.217 71 D C 0.486 176.649 176.300 -0.227 0.000 1.050 71 D CA 0.043 53.967 54.000 -0.126 0.000 0.856 71 D CB -0.122 40.603 40.800 -0.124 0.000 0.922 71 D HN 0.474 nan 8.370 nan 0.000 0.518 72 F N 0.083 120.026 119.950 -0.012 0.000 2.698 72 F HA 0.143 4.670 4.527 -0.000 0.000 0.295 72 F C 0.940 176.727 175.800 -0.021 0.000 1.124 72 F CA -0.446 57.414 58.000 -0.233 0.000 1.426 72 F CB -0.030 38.618 39.000 -0.585 0.000 1.120 72 F HN -0.113 nan 8.300 nan 0.000 0.583 73 L N 0.553 121.989 121.223 0.354 0.000 2.455 73 L HA 0.374 4.714 4.340 -0.000 0.000 0.272 73 L C 1.236 178.182 176.870 0.127 0.000 1.174 73 L CA 0.571 55.588 54.840 0.294 0.000 0.869 73 L CB 0.179 42.371 42.059 0.222 0.000 1.130 73 L HN 0.454 nan 8.230 nan 0.000 0.474 74 G N 2.210 111.036 108.800 0.044 0.000 2.176 74 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.253 74 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.253 74 G C 0.474 175.337 174.900 -0.062 0.000 0.979 74 G CA 0.065 45.127 45.100 -0.063 0.000 0.641 74 G HN 0.756 nan 8.290 nan 0.000 0.530 75 C N 1.619 120.939 119.300 0.034 0.000 2.422 75 C HA 0.749 5.209 4.460 -0.000 0.000 0.364 75 C C 1.547 176.578 174.990 0.067 0.000 1.251 75 C CA 0.163 59.235 59.018 0.090 0.000 2.441 75 C CB 1.154 28.994 27.740 0.166 0.000 2.393 75 C HN 1.041 nan 8.230 nan 0.000 0.606 76 S N 0.745 116.529 115.700 0.140 0.000 2.585 76 S HA 0.379 4.849 4.470 -0.000 0.000 0.273 76 S C -1.048 173.669 174.600 0.196 0.000 1.339 76 S CA -0.150 58.158 58.200 0.179 0.000 1.028 76 S CB 0.324 63.731 63.200 0.344 0.000 0.906 76 S HN 0.737 nan 8.310 nan 0.000 0.528 77 Y N 0.846 121.214 120.300 0.113 0.000 2.376 77 Y HA 0.561 5.111 4.550 -0.000 0.000 0.340 77 Y C -0.413 175.579 175.900 0.155 0.000 0.965 77 Y CA -0.831 57.337 58.100 0.112 0.000 1.078 77 Y CB 1.442 39.992 38.460 0.149 0.000 1.193 77 Y HN 1.022 nan 8.280 nan 0.000 0.452 78 A N 5.698 128.297 122.820 -0.368 0.000 2.253 78 A HA 0.542 4.862 4.320 -0.000 0.000 0.316 78 A C -0.254 177.215 177.584 -0.192 0.000 1.327 78 A CA -0.436 51.499 52.037 -0.170 0.000 0.917 78 A CB 0.407 19.298 19.000 -0.181 0.000 1.162 78 A HN 0.777 nan 8.150 nan 0.000 0.535 79 V N 2.366 122.355 119.914 0.123 0.000 2.326 79 V HA -0.092 4.028 4.120 -0.000 0.000 0.238 79 V C 2.376 178.513 176.094 0.072 0.000 1.038 79 V CA 1.896 64.313 62.300 0.194 0.000 1.032 79 V CB -0.777 31.258 31.823 0.353 0.000 0.675 79 V HN 1.026 nan 8.190 nan 0.000 0.467 80 E N 0.830 121.084 120.200 0.091 0.000 2.047 80 E HA -0.195 4.155 4.350 -0.000 0.000 0.191 80 E C 1.464 178.068 176.600 0.008 0.000 0.987 80 E CA 1.676 58.114 56.400 0.062 0.000 0.799 80 E CB -0.050 29.713 29.700 0.105 0.000 0.752 80 E HN 0.706 nan 8.360 nan 0.000 0.449 81 N N -0.149 118.549 118.700 -0.003 0.000 2.268 81 N HA 0.119 4.859 4.740 -0.000 0.000 0.204 81 N C 0.248 175.713 175.510 -0.075 0.000 1.124 81 N CA -0.049 52.981 53.050 -0.033 0.000 0.838 81 N CB 1.106 39.583 38.487 -0.017 0.000 0.994 81 N HN 0.056 nan 8.380 nan 0.000 0.489 82 G N 0.241 108.981 108.800 -0.100 0.000 2.489 82 G HA2 0.025 3.985 3.960 -0.000 0.000 0.271 82 G HA3 0.025 3.985 3.960 -0.000 0.000 0.271 82 G C 1.169 175.993 174.900 -0.127 0.000 1.427 82 G CA 0.041 45.047 45.100 -0.157 0.000 1.057 82 G HN 0.196 nan 8.290 nan 0.000 0.532 83 T N -3.540 110.930 114.554 -0.140 0.000 3.014 83 T HA 0.036 4.386 4.350 -0.000 0.000 0.263 83 T C 1.649 176.306 174.700 -0.073 0.000 1.078 83 T CA 1.814 63.846 62.100 -0.113 0.000 1.135 83 T CB -0.232 68.555 68.868 -0.136 0.000 0.895 83 T HN 2.078 nan 8.240 nan 0.000 0.480 84 S N -0.111 115.565 115.700 -0.040 0.000 2.827 84 S HA -0.110 4.360 4.470 -0.000 0.000 0.269 84 S C -0.045 174.622 174.600 0.112 0.000 1.323 84 S CA 0.202 58.407 58.200 0.008 0.000 1.176 84 S CB -2.729 60.403 63.200 -0.114 0.000 1.436 84 S HN 0.571 nan 8.310 nan 0.000 0.673 85 I N 2.778 123.398 120.570 0.083 0.000 2.337 85 I HA 0.379 4.549 4.170 -0.000 0.000 0.291 85 I C 1.043 177.277 176.117 0.194 0.000 1.046 85 I CA -0.770 60.602 61.300 0.119 0.000 1.324 85 I CB 0.443 38.469 38.000 0.042 0.000 1.409 85 I HN 0.371 nan 8.210 nan 0.000 0.494 86 I N 6.075 126.790 120.570 0.242 0.000 2.664 86 I HA 0.128 4.298 4.170 -0.000 0.000 0.284 86 I C 1.380 177.608 176.117 0.185 0.000 1.154 86 I CA 0.713 62.166 61.300 0.254 0.000 1.402 86 I CB 0.050 38.162 38.000 0.187 0.000 1.395 86 I HN 0.924 nan 8.210 nan 0.000 0.545 87 G N 3.969 112.896 108.800 0.211 0.000 2.175 87 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.244 87 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.244 87 G C 0.159 175.117 174.900 0.097 0.000 0.982 87 G CA -0.092 45.076 45.100 0.114 0.000 0.641 87 G HN 0.677 nan 8.290 nan 0.000 0.527 88 D N 0.662 121.118 120.400 0.093 0.000 2.434 88 D HA 0.281 4.921 4.640 -0.000 0.000 0.252 88 D C 1.806 177.963 176.300 -0.238 0.000 1.185 88 D CA -0.119 53.823 54.000 -0.097 0.000 0.886 88 D CB -0.207 40.506 40.800 -0.145 0.000 1.148 88 D HN 0.413 nan 8.370 nan 0.000 0.483 89 F N 3.334 123.124 119.950 -0.267 0.000 2.202 89 F HA -0.122 4.405 4.527 -0.000 0.000 0.301 89 F C 1.926 177.517 175.800 -0.349 0.000 1.082 89 F CA 0.903 58.554 58.000 -0.581 0.000 1.313 89 F CB -1.000 37.580 39.000 -0.701 0.000 1.024 89 F HN 0.326 nan 8.300 nan 0.000 0.495 90 A N 0.971 123.195 122.820 -0.994 0.000 2.076 90 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 90 A C 1.774 179.162 177.584 -0.326 0.000 1.160 90 A CA 1.764 53.452 52.037 -0.581 0.000 0.653 90 A CB -0.894 17.725 19.000 -0.635 0.000 0.801 90 A HN 0.543 nan 8.150 nan 0.000 0.455 91 N N 0.104 118.575 118.700 -0.381 0.000 2.412 91 N HA 0.166 4.906 4.740 -0.000 0.000 0.184 91 N C 0.480 175.736 175.510 -0.423 0.000 1.101 91 N CA 0.765 53.512 53.050 -0.506 0.000 0.881 91 N CB -0.248 37.700 38.487 -0.900 0.000 0.969 91 N HN 0.430 nan 8.380 nan 0.000 0.459 92 A N 1.078 123.765 122.820 -0.222 0.000 2.454 92 A HA 0.212 4.532 4.320 -0.000 0.000 0.260 92 A C 1.065 178.645 177.584 -0.006 0.000 1.106 92 A CA -0.036 51.954 52.037 -0.079 0.000 0.780 92 A CB 0.743 19.672 19.000 -0.119 0.000 1.044 92 A HN -0.053 nan 8.150 nan 0.000 0.498 93 K N 1.437 121.793 120.400 -0.074 0.000 2.323 93 K HA 0.228 4.548 4.320 -0.000 0.000 0.232 93 K C -0.541 175.761 176.600 -0.496 0.000 1.068 93 K CA 1.042 57.081 56.287 -0.412 0.000 0.892 93 K CB -0.180 31.964 32.500 -0.592 0.000 1.207 93 K HN 0.702 nan 8.250 nan 0.000 0.456 94 Y N 0.241 120.606 120.300 0.109 0.000 2.576 94 Y HA 0.365 4.915 4.550 -0.000 0.000 0.346 94 Y C -2.407 173.619 175.900 0.209 0.000 1.018 94 Y CA -3.110 55.038 58.100 0.079 0.000 1.050 94 Y CB 0.738 39.048 38.460 -0.249 0.000 1.280 94 Y HN 0.025 nan 8.280 nan 0.000 0.474 95 P HA 0.070 nan 4.420 nan 0.000 0.267 95 P C 0.195 177.634 177.300 0.231 0.000 1.205 95 P CA 0.309 63.560 63.100 0.251 0.000 0.765 95 P CB 1.045 32.869 31.700 0.206 0.000 0.828 96 V N 3.689 123.593 119.914 -0.017 0.000 2.490 96 V HA -0.007 4.113 4.120 -0.000 0.000 0.238 96 V C 0.956 176.890 176.094 -0.266 0.000 1.056 96 V CA 0.835 62.872 62.300 -0.439 0.000 1.075 96 V CB 0.034 31.382 31.823 -0.793 0.000 0.746 96 V HN 0.228 nan 8.190 nan 0.000 0.479 97 V N 2.144 121.959 119.914 -0.165 0.000 2.649 97 V HA 0.255 4.375 4.120 -0.000 0.000 0.292 97 V C 0.238 176.388 176.094 0.093 0.000 1.055 97 V CA -0.238 62.069 62.300 0.011 0.000 1.023 97 V CB 1.213 33.053 31.823 0.030 0.000 0.992 97 V HN 0.507 nan 8.190 nan 0.000 0.480 101 K N 1.324 121.784 120.400 0.100 0.000 2.148 101 K HA -0.057 4.263 4.320 -0.000 0.000 0.204 101 K C 2.005 178.660 176.600 0.092 0.000 1.050 101 K CA 1.229 57.608 56.287 0.154 0.000 0.942 101 K CB 0.001 32.659 32.500 0.264 0.000 0.724 101 K HN 0.056 nan 8.250 nan 0.000 0.446 102 L N 1.364 122.574 121.223 -0.022 0.000 2.005 102 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 102 L C 1.811 178.515 176.870 -0.277 0.000 1.072 102 L CA 1.602 56.209 54.840 -0.389 0.000 0.744 102 L CB -0.307 41.639 42.059 -0.189 0.000 0.895 102 L HN 0.106 nan 8.230 nan 0.000 0.433 103 L N -0.908 120.248 121.223 -0.110 0.000 2.275 103 L HA -0.158 4.182 4.340 -0.000 0.000 0.215 103 L C 2.394 179.202 176.870 -0.103 0.000 1.119 103 L CA 0.860 55.652 54.840 -0.079 0.000 0.790 103 L CB -0.606 41.442 42.059 -0.018 0.000 0.919 103 L HN 0.385 nan 8.230 nan 0.000 0.443 104 E N 0.131 120.273 120.200 -0.096 0.000 2.051 104 E HA -0.263 4.087 4.350 -0.000 0.000 0.192 104 E C 2.252 178.752 176.600 -0.166 0.000 0.991 104 E CA 1.253 57.599 56.400 -0.090 0.000 0.799 104 E CB 0.050 29.725 29.700 -0.041 0.000 0.748 104 E HN 0.199 nan 8.360 nan 0.000 0.449 105 R N -0.094 120.243 120.500 -0.271 0.000 2.066 105 R HA -0.037 4.303 4.340 -0.000 0.000 0.224 105 R C 0.025 175.893 176.300 -0.720 0.000 1.122 105 R CA 1.241 57.036 56.100 -0.508 0.000 0.974 105 R CB 0.002 29.930 30.300 -0.619 0.000 0.871 105 R HN 0.105 nan 8.270 nan 0.000 0.435 106 Y N 0.322 120.371 120.300 -0.418 0.000 2.837 106 Y HA 0.378 4.928 4.550 -0.000 0.000 0.356 106 Y C -1.870 173.859 175.900 -0.284 0.000 1.035 106 Y CA -2.877 54.918 58.100 -0.508 0.000 1.165 106 Y CB 1.514 39.195 38.460 -1.298 0.000 1.147 106 Y HN 0.158 nan 8.280 nan 0.000 0.628 107 P HA -0.190 nan 4.420 nan 0.000 0.218 107 P C 1.403 178.736 177.300 0.056 0.000 1.146 107 P CA 1.746 64.843 63.100 -0.005 0.000 0.813 107 P CB 0.232 31.922 31.700 -0.016 0.000 0.778 108 S N -3.178 112.584 115.700 0.104 0.000 2.603 108 S HA -0.034 4.436 4.470 -0.000 0.000 0.220 108 S C 1.435 176.176 174.600 0.234 0.000 0.967 108 S CA -0.064 58.220 58.200 0.139 0.000 0.920 108 S CB -1.152 62.125 63.200 0.128 0.000 0.773 108 S HN -0.015 nan 8.310 nan 0.000 0.529 109 Y N 1.576 121.873 120.300 -0.004 0.000 2.571 109 Y HA 0.421 4.971 4.550 -0.000 0.000 0.294 109 Y C 0.901 176.770 175.900 -0.051 0.000 1.141 109 Y CA -1.184 56.886 58.100 -0.049 0.000 1.308 109 Y CB -0.296 38.124 38.460 -0.066 0.000 1.002 109 Y HN 0.398 nan 8.280 nan 0.000 0.551 110 I N 0.603 121.239 120.570 0.108 0.000 2.460 110 I HA 0.283 4.453 4.170 -0.000 0.000 0.298 110 I C -0.580 175.536 176.117 -0.001 0.000 0.989 110 I CA -0.687 60.631 61.300 0.030 0.000 1.173 110 I CB 1.183 39.200 38.000 0.029 0.000 1.338 110 I HN -0.117 nan 8.210 nan 0.000 0.456 111 N N 8.309 126.982 118.700 -0.044 0.000 2.640 111 N HA 0.458 5.198 4.740 -0.000 0.000 0.262 111 N C -2.933 172.530 175.510 -0.079 0.000 1.174 111 N CA -1.636 51.382 53.050 -0.054 0.000 0.791 111 N CB 1.645 40.093 38.487 -0.066 0.000 1.279 111 N HN 0.230 nan 8.380 nan 0.000 0.535 112 P HA 0.357 nan 4.420 nan 0.000 0.286 112 P C -1.088 176.187 177.300 -0.042 0.000 1.261 112 P CA -0.406 62.657 63.100 -0.061 0.000 0.821 112 P CB 1.656 33.336 31.700 -0.034 0.000 1.013 113 K N 1.995 122.372 120.400 -0.039 0.000 2.637 113 K HA 0.189 4.509 4.320 -0.000 0.000 0.248 113 K C -0.419 176.186 176.600 0.009 0.000 0.971 113 K CA -0.425 55.853 56.287 -0.015 0.000 0.858 113 K CB 1.456 33.943 32.500 -0.021 0.000 1.170 113 K HN 0.374 nan 8.250 nan 0.000 0.443 114 E N 4.288 124.500 120.200 0.020 0.000 2.480 114 E HA 0.023 4.373 4.350 -0.000 0.000 0.258 114 E C -0.466 176.163 176.600 0.048 0.000 0.984 114 E CA 0.446 56.869 56.400 0.039 0.000 0.930 114 E CB 0.646 30.367 29.700 0.036 0.000 0.936 114 E HN 0.472 nan 8.360 nan 0.000 0.466 115 L N 3.436 124.700 121.223 0.068 0.000 2.286 115 L HA 0.550 4.890 4.340 -0.000 0.000 0.265 115 L C 0.185 177.093 176.870 0.064 0.000 1.012 115 L CA -0.891 53.990 54.840 0.069 0.000 0.818 115 L CB 1.502 43.619 42.059 0.097 0.000 1.337 115 L HN 0.334 nan 8.230 nan 0.000 0.438 116 R N 0.887 121.416 120.500 0.049 0.000 3.107 116 R HA 0.355 4.695 4.340 -0.000 0.000 0.251 116 R C -1.191 175.127 176.300 0.029 0.000 1.818 116 R CA -0.210 55.918 56.100 0.046 0.000 1.228 116 R CB 1.651 31.976 30.300 0.043 0.000 1.459 116 R HN 0.727 nan 8.270 nan 0.000 0.520 117 T N -0.213 114.357 114.554 0.027 0.000 2.762 117 T HA 0.572 4.922 4.350 -0.000 0.000 0.301 117 T C -1.132 173.582 174.700 0.024 0.000 1.299 117 T CA -0.270 61.834 62.100 0.008 0.000 1.005 117 T CB 1.951 70.812 68.868 -0.010 0.000 1.377 117 T HN 0.450 nan 8.240 nan 0.000 0.504 118 T N 0.254 114.808 114.554 -0.001 0.000 2.893 118 T HA 0.830 5.180 4.350 -0.000 0.000 0.291 118 T C -1.114 173.597 174.700 0.018 0.000 1.028 118 T CA -0.720 61.402 62.100 0.037 0.000 0.995 118 T CB 1.980 70.770 68.868 -0.130 0.000 1.051 118 T HN 0.569 nan 8.240 nan 0.000 0.470 119 E N 0.477 120.747 120.200 0.116 0.000 2.278 119 E HA 0.536 4.886 4.350 -0.000 0.000 0.272 119 E C -1.442 175.267 176.600 0.182 0.000 0.890 119 E CA -0.416 56.034 56.400 0.083 0.000 0.770 119 E CB 2.272 31.983 29.700 0.018 0.000 1.212 119 E HN 0.795 nan 8.360 nan 0.000 0.415 120 T N 3.801 118.440 114.554 0.141 0.000 2.833 120 T HA 0.548 4.898 4.350 -0.000 0.000 0.297 120 T C -1.213 173.550 174.700 0.105 0.000 1.015 120 T CA -0.605 61.597 62.100 0.170 0.000 0.963 120 T CB 0.045 69.056 68.868 0.239 0.000 0.955 120 T HN 0.327 nan 8.240 nan 0.000 0.449 121 K N 2.933 123.382 120.400 0.081 0.000 2.397 121 K HA 0.807 5.127 4.320 -0.000 0.000 0.253 121 K C -1.048 175.599 176.600 0.079 0.000 0.932 121 K CA -0.935 55.396 56.287 0.074 0.000 0.795 121 K CB 2.277 34.816 32.500 0.066 0.000 1.159 121 K HN 0.594 nan 8.250 nan 0.000 0.424 122 A N 2.655 125.529 122.820 0.090 0.000 2.414 122 A HA 0.782 5.102 4.320 -0.000 0.000 0.306 122 A C -1.810 175.846 177.584 0.120 0.000 1.054 122 A CA -0.680 51.419 52.037 0.104 0.000 0.724 122 A CB 1.209 20.263 19.000 0.090 0.000 1.267 122 A HN 0.552 nan 8.150 nan 0.000 0.418 123 L N 1.281 122.603 121.223 0.164 0.000 2.438 123 L HA 0.698 5.038 4.340 -0.000 0.000 0.270 123 L C -0.656 176.379 176.870 0.274 0.000 0.972 123 L CA 0.221 55.182 54.840 0.202 0.000 0.831 123 L CB 2.257 44.441 42.059 0.209 0.000 1.273 123 L HN 0.571 nan 8.230 nan 0.000 0.405 124 S N 3.944 119.782 115.700 0.230 0.000 2.472 124 S HA 0.827 5.297 4.470 -0.000 0.000 0.303 124 S C -1.591 173.178 174.600 0.282 0.000 1.099 124 S CA -0.297 58.017 58.200 0.190 0.000 1.077 124 S CB 1.180 64.432 63.200 0.087 0.000 1.031 124 S HN 0.518 nan 8.310 nan 0.000 0.487 125 Y N -1.214 119.118 120.300 0.054 0.000 2.399 125 Y HA 0.536 5.085 4.550 -0.000 0.000 0.327 125 Y C 0.252 176.154 175.900 0.002 0.000 1.111 125 Y CA -1.030 57.085 58.100 0.025 0.000 1.047 125 Y CB 0.487 38.950 38.460 0.006 0.000 1.259 125 Y HN 0.395 nan 8.280 nan 0.000 0.434 126 S N 1.722 117.451 115.700 0.047 0.000 2.489 126 S HA 0.030 4.500 4.470 -0.000 0.000 0.228 126 S C -0.201 174.366 174.600 -0.056 0.000 0.995 126 S CA 1.214 59.396 58.200 -0.031 0.000 0.934 126 S CB -0.453 62.792 63.200 0.075 0.000 0.771 126 S HN 0.915 nan 8.310 nan 0.000 0.522 127 D N -1.972 118.402 120.400 -0.042 0.000 2.792 127 D HA 0.186 4.826 4.640 -0.000 0.000 0.335 127 D C -0.504 175.683 176.300 -0.188 0.000 1.353 127 D CA -0.781 53.111 54.000 -0.179 0.000 0.839 127 D CB -0.435 40.342 40.800 -0.040 0.000 1.396 127 D HN -0.052 nan 8.370 nan 0.000 0.479 128 F N 0.082 120.102 119.950 0.117 0.000 2.811 128 F HA 0.220 4.747 4.527 -0.000 0.000 0.301 128 F C 1.463 177.239 175.800 -0.040 0.000 1.151 128 F CA 0.072 58.090 58.000 0.029 0.000 1.412 128 F CB -0.016 38.959 39.000 -0.041 0.000 1.113 128 F HN 0.218 nan 8.300 nan 0.000 0.579 129 D N -0.372 120.076 120.400 0.080 0.000 2.323 129 D HA 0.022 4.662 4.640 -0.000 0.000 0.218 129 D C 2.233 178.530 176.300 -0.006 0.000 0.973 129 D CA 0.371 54.382 54.000 0.018 0.000 0.890 129 D CB 0.075 40.868 40.800 -0.011 0.000 1.011 129 D HN 0.119 nan 8.370 nan 0.000 0.499 130 R N 1.054 121.543 120.500 -0.018 0.000 2.152 130 R HA -0.081 4.259 4.340 -0.000 0.000 0.232 130 R C 2.269 178.589 176.300 0.033 0.000 1.117 130 R CA 0.156 56.248 56.100 -0.014 0.000 0.981 130 R CB -0.837 29.461 30.300 -0.004 0.000 0.870 130 R HN 0.211 nan 8.270 nan 0.000 0.451 131 L N 1.878 123.085 121.223 -0.027 0.000 2.151 131 L HA -0.176 4.164 4.340 -0.000 0.000 0.215 131 L C 1.235 178.057 176.870 -0.081 0.000 1.084 131 L CA 1.931 56.574 54.840 -0.328 0.000 0.764 131 L CB -0.189 41.625 42.059 -0.409 0.000 0.891 131 L HN 0.016 nan 8.230 nan 0.000 0.435 132 E N -0.068 120.149 120.200 0.029 0.000 2.394 132 E HA -0.034 4.316 4.350 -0.000 0.000 0.191 132 E C 1.596 178.217 176.600 0.035 0.000 1.044 132 E CA 0.237 56.678 56.400 0.069 0.000 0.939 132 E CB 0.097 29.865 29.700 0.113 0.000 1.089 132 E HN 0.719 nan 8.360 nan 0.000 0.456 133 K N 0.045 120.461 120.400 0.028 0.000 2.209 133 K HA -0.070 4.250 4.320 -0.000 0.000 0.204 133 K C 0.826 177.447 176.600 0.034 0.000 1.048 133 K CA 1.034 57.339 56.287 0.030 0.000 0.940 133 K CB 0.093 32.620 32.500 0.045 0.000 0.729 133 K HN -0.123 nan 8.250 nan 0.000 0.451 134 N N 1.251 119.973 118.700 0.037 0.000 2.251 134 N HA 0.077 4.817 4.740 -0.000 0.000 0.217 134 N C -0.834 174.684 175.510 0.012 0.000 1.124 134 N CA 0.046 53.114 53.050 0.029 0.000 0.843 134 N CB 0.683 39.193 38.487 0.039 0.000 1.024 134 N HN 0.199 nan 8.380 nan 0.000 0.501 135 K N -0.439 119.966 120.400 0.009 0.000 3.012 135 K HA -0.185 4.135 4.320 -0.000 0.000 0.259 135 K C 0.425 176.998 176.600 -0.045 0.000 0.989 135 K CA 0.687 56.965 56.287 -0.015 0.000 0.728 135 K CB -1.970 30.514 32.500 -0.026 0.000 1.260 135 K HN 0.242 nan 8.250 nan 0.000 0.480 136 T N 0.017 114.558 114.554 -0.022 0.000 2.708 136 T HA -0.156 4.194 4.350 -0.000 0.000 0.266 136 T C 1.272 175.907 174.700 -0.108 0.000 1.037 136 T CA 1.545 63.626 62.100 -0.033 0.000 1.146 136 T CB -0.201 68.680 68.868 0.022 0.000 0.865 136 T HN 0.436 nan 8.240 nan 0.000 0.435 137 F N 1.970 121.698 119.950 -0.369 0.000 2.149 137 F HA -0.010 4.517 4.527 -0.000 0.000 0.294 137 F C 2.448 178.038 175.800 -0.350 0.000 1.095 137 F CA 1.072 58.726 58.000 -0.577 0.000 1.276 137 F CB -1.023 37.138 39.000 -1.398 0.000 1.023 137 F HN 0.024 nan 8.300 nan 0.000 0.480 138 T N 1.710 116.048 114.554 -0.360 0.000 2.680 138 T HA -0.315 4.035 4.350 -0.000 0.000 0.268 138 T C 1.854 176.335 174.700 -0.365 0.000 1.033 138 T CA 2.246 64.155 62.100 -0.319 0.000 1.152 138 T CB -0.563 68.247 68.868 -0.097 0.000 0.859 138 T HN 0.480 nan 8.240 nan 0.000 0.452 139 K N 1.342 121.573 120.400 -0.282 0.000 2.486 139 K HA 0.011 4.331 4.320 -0.000 0.000 0.194 139 K C 2.070 178.512 176.600 -0.263 0.000 1.033 139 K CA 1.296 57.455 56.287 -0.213 0.000 1.004 139 K CB -0.345 32.082 32.500 -0.122 0.000 0.798 139 K HN 0.456 nan 8.250 nan 0.000 0.495 140 T N -1.449 112.856 114.554 -0.416 0.000 3.085 140 T HA 0.072 4.422 4.350 -0.000 0.000 0.263 140 T C 0.716 175.130 174.700 -0.476 0.000 1.127 140 T CA -0.106 61.743 62.100 -0.418 0.000 1.103 140 T CB -0.097 68.484 68.868 -0.480 0.000 0.921 140 T HN -0.017 nan 8.240 nan 0.000 0.510 141 V N 2.171 121.754 119.914 -0.552 0.000 2.481 141 V HA 0.317 4.437 4.120 -0.000 0.000 0.286 141 V C 0.434 176.358 176.094 -0.284 0.000 1.042 141 V CA -1.578 60.406 62.300 -0.526 0.000 0.928 141 V CB 1.506 32.970 31.823 -0.598 0.000 0.986 141 V HN 0.443 nan 8.190 nan 0.000 0.462 142 K N 2.889 123.119 120.400 -0.283 0.000 2.548 142 K HA -0.079 4.241 4.320 -0.000 0.000 0.277 142 K C 0.439 176.960 176.600 -0.132 0.000 1.001 142 K CA 0.350 56.466 56.287 -0.286 0.000 1.102 142 K CB 0.235 32.312 32.500 -0.705 0.000 0.848 142 K HN 0.742 nan 8.250 nan 0.000 0.487 143 S N 2.572 118.212 115.700 -0.100 0.000 2.549 143 S HA 0.303 4.773 4.470 -0.000 0.000 0.283 143 S C 1.039 175.631 174.600 -0.013 0.000 1.320 143 S CA 0.869 59.043 58.200 -0.044 0.000 1.058 143 S CB 0.309 63.487 63.200 -0.036 0.000 0.882 143 S HN 0.904 nan 8.310 nan 0.000 0.498 144 G N 3.729 112.540 108.800 0.018 0.000 2.217 144 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.246 144 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.246 144 G C 0.048 174.997 174.900 0.083 0.000 0.990 144 G CA 0.142 45.263 45.100 0.035 0.000 0.627 144 G HN 0.791 nan 8.290 nan 0.000 0.522 145 F N 3.295 123.231 119.950 -0.024 0.000 2.412 145 F HA 0.647 5.174 4.527 -0.000 0.000 0.348 145 F C 0.652 176.508 175.800 0.093 0.000 1.102 145 F CA -0.319 57.704 58.000 0.039 0.000 1.196 145 F CB 1.195 40.214 39.000 0.032 0.000 1.144 145 F HN 0.041 nan 8.300 nan 0.000 0.541 146 S N 7.098 122.299 115.700 -0.832 0.000 2.455 146 S HA 0.330 4.800 4.470 -0.000 0.000 0.278 146 S C -0.663 173.561 174.600 -0.626 0.000 1.216 146 S CA -0.472 57.404 58.200 -0.541 0.000 1.055 146 S CB 0.470 63.475 63.200 -0.325 0.000 0.939 146 S HN 0.576 nan 8.310 nan 0.000 0.494 147 L N 4.481 125.630 121.223 -0.123 0.000 2.296 147 L HA 0.520 4.860 4.340 -0.000 0.000 0.286 147 L C -0.317 176.625 176.870 0.120 0.000 1.023 147 L CA -0.462 54.514 54.840 0.226 0.000 0.812 147 L CB 1.258 43.472 42.059 0.259 0.000 1.223 147 L HN 0.479 nan 8.230 nan 0.000 0.421 148 N N 4.576 123.321 118.700 0.075 0.000 2.419 148 N HA 0.208 4.948 4.740 -0.000 0.000 0.264 148 N C 0.386 175.963 175.510 0.111 0.000 1.031 148 N CA -0.060 52.916 53.050 -0.124 0.000 0.951 148 N CB 0.893 39.056 38.487 -0.540 0.000 1.101 148 N HN 0.796 nan 8.380 nan 0.000 0.488 149 L N 2.576 123.847 121.223 0.081 0.000 2.558 149 L HA 0.170 4.510 4.340 -0.000 0.000 0.225 149 L C 2.091 178.951 176.870 -0.017 0.000 1.128 149 L CA 0.175 55.097 54.840 0.138 0.000 0.868 149 L CB -0.133 41.992 42.059 0.109 0.000 1.006 149 L HN 0.663 nan 8.230 nan 0.000 0.454 150 G N 1.561 110.289 108.800 -0.119 0.000 2.514 150 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 150 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 150 G C -0.705 174.056 174.900 -0.232 0.000 1.198 150 G CA 0.749 45.639 45.100 -0.350 0.000 0.780 150 G HN 0.283 nan 8.290 nan 0.000 0.565 151 P HA -0.153 nan 4.420 nan 0.000 0.215 151 P C 1.643 178.977 177.300 0.057 0.000 1.157 151 P CA 0.973 64.172 63.100 0.165 0.000 0.874 151 P CB -0.158 31.695 31.700 0.256 0.000 0.790 152 F N 0.747 120.605 119.950 -0.155 0.000 2.146 152 F HA -0.118 4.409 4.527 -0.000 0.000 0.298 152 F C 1.856 177.515 175.800 -0.235 0.000 1.096 152 F CA 1.607 59.406 58.000 -0.336 0.000 1.275 152 F CB -0.497 38.111 39.000 -0.655 0.000 1.008 152 F HN -0.236 nan 8.300 nan 0.000 0.480 153 K N -0.664 119.502 120.400 -0.391 0.000 2.031 153 K HA -0.124 4.196 4.320 -0.000 0.000 0.205 153 K C 1.985 178.309 176.600 -0.460 0.000 1.049 153 K CA 1.626 57.627 56.287 -0.477 0.000 0.939 153 K CB -0.525 31.751 32.500 -0.374 0.000 0.717 153 K HN 0.189 nan 8.250 nan 0.000 0.438 154 F N 0.851 120.662 119.950 -0.231 0.000 2.171 154 F HA -0.085 4.442 4.527 -0.000 0.000 0.300 154 F C 2.467 178.091 175.800 -0.292 0.000 1.090 154 F CA 1.240 59.090 58.000 -0.249 0.000 1.293 154 F CB -1.314 37.595 39.000 -0.152 0.000 1.013 154 F HN 0.124 nan 8.300 nan 0.000 0.486 155 G N -0.486 108.245 108.800 -0.114 0.000 2.421 155 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.216 155 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.216 155 G C 1.801 176.555 174.900 -0.242 0.000 1.171 155 G CA 0.891 45.898 45.100 -0.155 0.000 0.775 155 G HN 0.194 nan 8.290 nan 0.000 0.543 156 R N 0.583 120.847 120.500 -0.394 0.000 2.075 156 R HA -0.015 4.325 4.340 -0.000 0.000 0.232 156 R C 2.496 178.597 176.300 -0.331 0.000 1.126 156 R CA 2.065 57.968 56.100 -0.328 0.000 0.963 156 R CB -0.938 29.099 30.300 -0.437 0.000 0.858 156 R HN 0.494 nan 8.270 nan 0.000 0.435 157 Q N 0.253 119.641 119.800 -0.687 0.000 2.084 157 Q HA -0.219 4.121 4.340 -0.000 0.000 0.202 157 Q C 1.931 177.674 176.000 -0.428 0.000 0.978 157 Q CA 2.082 57.213 55.803 -1.120 0.000 0.844 157 Q CB -0.135 27.856 28.738 -1.244 0.000 0.898 157 Q HN 0.371 nan 8.270 nan 0.000 0.426 158 K N -0.672 119.569 120.400 -0.264 0.000 2.057 158 K HA -0.124 4.196 4.320 -0.000 0.000 0.207 158 K C 1.966 178.504 176.600 -0.103 0.000 1.049 158 K CA 1.744 57.944 56.287 -0.145 0.000 0.931 158 K CB -0.076 32.356 32.500 -0.114 0.000 0.714 158 K HN 0.192 nan 8.250 nan 0.000 0.440 159 T N 1.931 116.423 114.554 -0.103 0.000 2.684 159 T HA -0.131 4.219 4.350 -0.000 0.000 0.267 159 T C 1.760 176.465 174.700 0.008 0.000 1.036 159 T CA 1.308 63.372 62.100 -0.059 0.000 1.148 159 T CB -0.084 68.752 68.868 -0.053 0.000 0.863 159 T HN 0.124 nan 8.240 nan 0.000 0.436 160 I N 1.376 122.000 120.570 0.090 0.000 2.226 160 I HA -0.094 4.076 4.170 -0.000 0.000 0.245 160 I C 2.372 178.630 176.117 0.235 0.000 1.100 160 I CA 1.333 62.811 61.300 0.297 0.000 1.374 160 I CB -1.057 37.210 38.000 0.446 0.000 1.057 160 I HN 0.285 nan 8.210 nan 0.000 0.413 161 K N 1.254 121.718 120.400 0.108 0.000 2.009 161 K HA -0.208 4.112 4.320 -0.000 0.000 0.210 161 K C 1.908 178.515 176.600 0.012 0.000 1.049 161 K CA 1.751 58.077 56.287 0.066 0.000 0.929 161 K CB -0.030 32.483 32.500 0.022 0.000 0.714 161 K HN 0.321 nan 8.250 nan 0.000 0.440 162 E N -0.645 119.536 120.200 -0.032 0.000 2.268 162 E HA -0.099 4.251 4.350 -0.000 0.000 0.195 162 E C 1.607 178.121 176.600 -0.144 0.000 0.995 162 E CA 1.298 57.651 56.400 -0.079 0.000 0.836 162 E CB 0.179 29.826 29.700 -0.089 0.000 0.763 162 E HN 0.332 nan 8.360 nan 0.000 0.491 163 T N -0.030 114.416 114.554 -0.179 0.000 3.035 163 T HA 0.065 4.415 4.350 -0.000 0.000 0.259 163 T C -0.086 174.196 174.700 -0.696 0.000 1.078 163 T CA 0.524 62.352 62.100 -0.454 0.000 1.132 163 T CB 0.128 68.649 68.868 -0.578 0.000 0.900 163 T HN -0.074 nan 8.240 nan 0.000 0.480 164 F N 0.730 120.576 119.950 -0.172 0.000 2.507 164 F HA 0.513 5.040 4.527 -0.000 0.000 0.325 164 F C 0.062 175.710 175.800 -0.253 0.000 1.116 164 F CA -1.814 56.028 58.000 -0.263 0.000 0.930 164 F CB 1.092 39.848 39.000 -0.407 0.000 1.146 164 F HN -0.298 nan 8.300 nan 0.000 0.447 165 V N 4.633 124.511 119.914 -0.060 0.000 2.742 165 V HA -0.169 3.951 4.120 -0.000 0.000 0.302 165 V C 0.464 176.529 176.094 -0.048 0.000 1.133 165 V CA 0.293 62.561 62.300 -0.052 0.000 1.284 165 V CB -0.555 31.241 31.823 -0.045 0.000 0.850 165 V HN 0.858 nan 8.190 nan 0.000 0.494 166 H N 6.338 125.366 119.070 -0.069 0.000 3.119 166 H HA 0.133 4.689 4.556 -0.000 0.000 0.334 166 H C 0.203 175.511 175.328 -0.034 0.000 1.042 166 H CA 1.441 57.463 56.048 -0.044 0.000 1.354 166 H CB 0.230 29.973 29.762 -0.031 0.000 1.285 166 H HN 0.949 nan 8.280 nan 0.000 0.601 167 N N 1.211 119.472 118.700 -0.732 0.000 2.405 167 N HA 0.126 4.866 4.740 -0.000 0.000 0.274 167 N C -0.295 174.931 175.510 -0.474 0.000 1.170 167 N CA -0.459 52.300 53.050 -0.485 0.000 0.848 167 N CB 1.662 40.039 38.487 -0.182 0.000 1.629 167 N HN 0.539 nan 8.380 nan 0.000 0.481 168 T N -0.846 113.548 114.554 -0.267 0.000 3.072 168 T HA -0.053 4.297 4.350 -0.000 0.000 0.266 168 T C -0.079 174.594 174.700 -0.045 0.000 1.127 168 T CA 0.407 62.439 62.100 -0.113 0.000 1.107 168 T CB -0.765 68.079 68.868 -0.041 0.000 0.910 168 T HN 0.554 nan 8.240 nan 0.000 0.513 169 D N 3.055 123.435 120.400 -0.034 0.000 2.973 169 D HA -0.077 4.563 4.640 -0.000 0.000 0.214 169 D C -0.071 176.247 176.300 0.030 0.000 1.079 169 D CA 0.654 54.669 54.000 0.024 0.000 0.797 169 D CB 0.168 41.024 40.800 0.094 0.000 1.168 169 D HN 0.369 nan 8.370 nan 0.000 0.515 170 D N 1.438 121.849 120.400 0.019 0.000 2.346 170 D HA 0.011 4.651 4.640 -0.000 0.000 0.260 170 D C 0.589 176.893 176.300 0.006 0.000 1.252 170 D CA 0.093 54.100 54.000 0.013 0.000 0.895 170 D CB 0.622 41.423 40.800 0.002 0.000 1.097 170 D HN 0.088 nan 8.370 nan 0.000 0.489 171 S N 3.315 119.028 115.700 0.021 0.000 2.440 171 S HA -0.142 4.328 4.470 -0.000 0.000 0.238 171 S C 1.561 176.151 174.600 -0.016 0.000 1.010 171 S CA 0.623 58.832 58.200 0.015 0.000 0.972 171 S CB 0.043 63.273 63.200 0.051 0.000 0.774 171 S HN 0.584 nan 8.310 nan 0.000 0.501 172 E N 1.389 121.584 120.200 -0.009 0.000 2.110 172 E HA -0.131 4.218 4.350 -0.000 0.000 0.193 172 E C 1.681 178.255 176.600 -0.044 0.000 0.988 172 E CA 0.923 57.314 56.400 -0.015 0.000 0.804 172 E CB -0.137 29.558 29.700 -0.009 0.000 0.745 172 E HN 0.543 nan 8.360 nan 0.000 0.458 173 K N 0.618 120.984 120.400 -0.058 0.000 2.361 173 K HA 0.098 4.418 4.320 -0.000 0.000 0.196 173 K C 0.696 177.215 176.600 -0.134 0.000 1.039 173 K CA 0.010 56.247 56.287 -0.083 0.000 1.001 173 K CB 0.583 33.046 32.500 -0.062 0.000 0.795 173 K HN -0.105 nan 8.250 nan 0.000 0.495 174 V N 2.063 121.867 119.914 -0.183 0.000 2.637 174 V HA 0.102 4.222 4.120 -0.000 0.000 0.296 174 V C -0.074 175.750 176.094 -0.451 0.000 1.046 174 V CA -0.210 61.860 62.300 -0.384 0.000 1.066 174 V CB 1.417 32.986 31.823 -0.423 0.000 0.968 174 V HN -0.068 nan 8.190 nan 0.000 0.483 175 V N 5.026 124.574 119.914 -0.610 0.000 2.888 175 V HA 0.579 4.699 4.120 -0.000 0.000 0.309 175 V C -0.883 174.708 176.094 -0.838 0.000 1.114 175 V CA -0.517 61.445 62.300 -0.563 0.000 0.940 175 V CB 2.171 33.873 31.823 -0.200 0.000 1.021 175 V HN 0.957 nan 8.190 nan 0.000 0.426 176 H N 3.464 122.157 119.070 -0.628 0.000 2.567 176 H HA 0.814 5.370 4.556 -0.000 0.000 0.345 176 H C 0.094 175.061 175.328 -0.602 0.000 1.169 176 H CA -0.045 55.539 56.048 -0.774 0.000 1.227 176 H CB 2.297 31.236 29.762 -1.371 0.000 1.607 176 H HN 0.966 nan 8.280 nan 0.000 0.534 177 G N -0.008 108.738 108.800 -0.089 0.000 2.696 177 G HA2 0.434 4.394 3.960 -0.000 0.000 0.295 177 G HA3 0.434 4.394 3.960 -0.000 0.000 0.295 177 G C -1.439 173.771 174.900 0.517 0.000 1.398 177 G CA -0.579 44.645 45.100 0.208 0.000 0.920 177 G HN 0.556 nan 8.290 nan 0.000 0.492 178 E N -0.040 120.460 120.200 0.501 0.000 2.343 178 E HA 0.554 4.904 4.350 -0.000 0.000 0.278 178 E C -2.012 174.802 176.600 0.356 0.000 0.910 178 E CA -0.759 55.909 56.400 0.448 0.000 0.757 178 E CB 2.703 32.627 29.700 0.373 0.000 1.218 178 E HN 0.390 nan 8.360 nan 0.000 0.435 179 L N 2.525 123.942 121.223 0.323 0.000 2.386 179 L HA 0.621 4.961 4.340 -0.000 0.000 0.271 179 L C -1.411 175.510 176.870 0.085 0.000 0.993 179 L CA -0.253 54.697 54.840 0.183 0.000 0.819 179 L CB 2.096 44.285 42.059 0.216 0.000 1.294 179 L HN 0.396 nan 8.230 nan 0.000 0.414 180 S N 5.204 120.932 115.700 0.047 0.000 2.561 180 S HA 0.735 5.205 4.470 -0.000 0.000 0.303 180 S C -0.945 173.678 174.600 0.038 0.000 1.110 180 S CA -0.523 57.704 58.200 0.046 0.000 1.034 180 S CB 0.575 63.818 63.200 0.072 0.000 1.010 180 S HN 0.525 nan 8.310 nan 0.000 0.482 181 I N 4.320 124.912 120.570 0.036 0.000 2.382 181 I HA 0.433 4.603 4.170 -0.000 0.000 0.286 181 I C -0.437 175.768 176.117 0.147 0.000 1.002 181 I CA -0.352 61.002 61.300 0.089 0.000 1.135 181 I CB 1.667 39.626 38.000 -0.069 0.000 1.288 181 I HN 0.583 nan 8.210 nan 0.000 0.448 182 E N 5.829 126.176 120.200 0.246 0.000 2.224 182 E HA 0.407 4.757 4.350 -0.000 0.000 0.265 182 E C -1.181 175.581 176.600 0.269 0.000 0.878 182 E CA -0.779 55.742 56.400 0.202 0.000 0.759 182 E CB 3.237 33.003 29.700 0.110 0.000 1.164 182 E HN 0.216 nan 8.360 nan 0.000 0.414 183 V N 3.837 123.856 119.914 0.174 0.000 2.320 183 V HA 0.127 4.247 4.120 -0.000 0.000 0.265 183 V C -0.157 175.939 176.094 0.004 0.000 1.048 183 V CA -0.574 61.799 62.300 0.122 0.000 0.865 183 V CB 0.989 32.821 31.823 0.014 0.000 1.043 183 V HN 0.435 nan 8.190 nan 0.000 0.474 184 V N 5.100 125.029 119.914 0.024 0.000 2.364 184 V HA 0.296 4.416 4.120 -0.000 0.000 0.272 184 V C 0.754 176.861 176.094 0.022 0.000 1.036 184 V CA -0.125 62.176 62.300 0.003 0.000 0.880 184 V CB 1.067 32.869 31.823 -0.036 0.000 0.991 184 V HN 0.883 nan 8.190 nan 0.000 0.460 185 N N 2.510 121.226 118.700 0.027 0.000 2.317 185 N HA 0.347 5.087 4.740 -0.000 0.000 0.199 185 N C 0.522 176.110 175.510 0.130 0.000 1.145 185 N CA 0.608 53.714 53.050 0.093 0.000 0.882 185 N CB 0.860 39.448 38.487 0.169 0.000 1.113 185 N HN 0.815 nan 8.380 nan 0.000 0.486 189 N N 2.546 121.080 118.700 -0.276 0.000 2.260 189 N HA 0.754 5.494 4.740 -0.000 0.000 0.293 189 N C -1.668 173.754 175.510 -0.147 0.000 1.058 189 N CA -0.558 52.366 53.050 -0.210 0.000 0.824 189 N CB 2.455 40.832 38.487 -0.184 0.000 1.551 189 N HN 0.507 nan 8.380 nan 0.000 0.475 190 L N 1.457 122.598 121.223 -0.137 0.000 2.334 190 L HA 0.449 4.789 4.340 -0.000 0.000 0.277 190 L C -0.057 176.689 176.870 -0.206 0.000 1.075 190 L CA -0.387 54.382 54.840 -0.119 0.000 0.804 190 L CB 1.031 43.044 42.059 -0.076 0.000 1.174 190 L HN 0.531 nan 8.230 nan 0.000 0.438 191 Q N 1.680 121.321 119.800 -0.265 0.000 2.271 191 Q HA 0.146 4.486 4.340 -0.000 0.000 0.273 191 Q C 0.317 176.052 176.000 -0.441 0.000 1.051 191 Q CA 1.133 56.682 55.803 -0.423 0.000 0.901 191 Q CB 0.645 28.915 28.738 -0.780 0.000 1.174 191 Q HN 0.752 nan 8.270 nan 0.000 0.385 192 T N 0.636 114.968 114.554 -0.370 0.000 3.132 192 T HA 0.563 4.913 4.350 -0.000 0.000 0.274 192 T C 0.488 175.049 174.700 -0.230 0.000 1.011 192 T CA -0.008 61.871 62.100 -0.368 0.000 0.899 192 T CB 0.227 68.789 68.868 -0.510 0.000 1.089 192 T HN 0.634 nan 8.240 nan 0.000 0.543 193 A N 2.979 125.656 122.820 -0.238 0.000 2.565 193 A HA 0.398 4.718 4.320 -0.000 0.000 0.237 193 A C -0.747 176.739 177.584 -0.162 0.000 1.053 193 A CA -0.926 51.012 52.037 -0.164 0.000 0.755 193 A CB -0.009 18.893 19.000 -0.164 0.000 0.980 193 A HN 0.170 nan 8.150 nan 0.000 0.506 194 P HA -0.255 nan 4.420 nan 0.000 0.218 194 P C 1.753 178.975 177.300 -0.131 0.000 1.154 194 P CA 2.445 65.484 63.100 -0.102 0.000 0.872 194 P CB 0.046 31.712 31.700 -0.056 0.000 0.790 195 S N -1.571 114.069 115.700 -0.101 0.000 2.461 195 S HA 0.058 4.528 4.470 -0.000 0.000 0.228 195 S C 2.007 176.548 174.600 -0.098 0.000 1.005 195 S CA 0.763 58.918 58.200 -0.075 0.000 0.942 195 S CB -1.088 62.107 63.200 -0.008 0.000 0.776 195 S HN 0.108 nan 8.310 nan 0.000 0.514 196 A N 2.353 125.071 122.820 -0.170 0.000 1.898 196 A HA 0.185 4.505 4.320 -0.000 0.000 0.216 196 A C 2.259 179.732 177.584 -0.183 0.000 1.181 196 A CA 1.261 53.158 52.037 -0.234 0.000 0.620 196 A CB -0.869 17.770 19.000 -0.601 0.000 0.819 196 A HN 0.527 nan 8.150 nan 0.000 0.442 197 L N -1.291 119.780 121.223 -0.253 0.000 2.042 197 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 197 L C 2.837 179.561 176.870 -0.243 0.000 1.076 197 L CA 1.664 56.320 54.840 -0.308 0.000 0.749 197 L CB -0.455 41.361 42.059 -0.404 0.000 0.893 197 L HN 0.318 nan 8.230 nan 0.000 0.432 198 R N 0.196 120.524 120.500 -0.286 0.000 2.073 198 R HA -0.151 4.189 4.340 -0.000 0.000 0.234 198 R C 2.361 178.458 176.300 -0.338 0.000 1.134 198 R CA 1.463 57.257 56.100 -0.510 0.000 0.952 198 R CB -0.104 29.693 30.300 -0.838 0.000 0.850 198 R HN 0.259 nan 8.270 nan 0.000 0.433 199 K N 0.039 120.393 120.400 -0.077 0.000 2.057 199 K HA -0.128 4.192 4.320 -0.000 0.000 0.207 199 K C 2.030 178.822 176.600 0.321 0.000 1.049 199 K CA 1.425 57.825 56.287 0.189 0.000 0.931 199 K CB -0.152 32.466 32.500 0.197 0.000 0.714 199 K HN 0.166 nan 8.250 nan 0.000 0.440 200 I N 1.004 121.725 120.570 0.251 0.000 2.142 200 I HA -0.293 3.877 4.170 -0.000 0.000 0.240 200 I C 2.533 178.836 176.117 0.310 0.000 1.078 200 I CA 1.159 62.680 61.300 0.369 0.000 1.343 200 I CB -0.451 37.715 38.000 0.277 0.000 1.046 200 I HN 0.156 nan 8.210 nan 0.000 0.405 201 A N 0.767 123.687 122.820 0.167 0.000 1.917 201 A HA -0.270 4.050 4.320 -0.000 0.000 0.219 201 A C 2.486 180.174 177.584 0.174 0.000 1.182 201 A CA 2.297 54.429 52.037 0.159 0.000 0.633 201 A CB -0.912 18.109 19.000 0.035 0.000 0.819 201 A HN 0.484 nan 8.150 nan 0.000 0.448 202 A N -1.924 120.985 122.820 0.147 0.000 1.929 202 A HA -0.037 4.283 4.320 -0.000 0.000 0.216 202 A C 1.679 179.315 177.584 0.086 0.000 1.176 202 A CA 1.756 53.892 52.037 0.167 0.000 0.628 202 A CB -0.081 19.090 19.000 0.285 0.000 0.816 202 A HN 0.460 nan 8.150 nan 0.000 0.444 203 D N -3.731 116.656 120.400 -0.021 0.000 2.490 203 D HA 0.150 4.790 4.640 -0.000 0.000 0.246 203 D C -0.454 175.507 176.300 -0.566 0.000 1.196 203 D CA 0.195 53.971 54.000 -0.373 0.000 0.812 203 D CB 0.530 40.913 40.800 -0.695 0.000 1.191 203 D HN 0.454 nan 8.370 nan 0.000 0.531 204 Y N 0.704 121.104 120.300 0.167 0.000 2.707 204 Y HA 0.365 4.915 4.550 -0.000 0.000 0.249 204 Y C 0.472 176.470 175.900 0.163 0.000 1.166 204 Y CA -0.290 57.904 58.100 0.157 0.000 1.184 204 Y CB 0.528 39.090 38.460 0.170 0.000 1.240 204 Y HN -0.267 nan 8.280 nan 0.000 0.547 205 L N 0.839 122.222 121.223 0.267 0.000 2.397 205 L HA 0.161 4.501 4.340 -0.000 0.000 0.271 205 L C 0.395 177.412 176.870 0.245 0.000 1.148 205 L CA -0.371 54.631 54.840 0.270 0.000 0.825 205 L CB 0.622 42.904 42.059 0.371 0.000 1.117 205 L HN 0.146 nan 8.230 nan 0.000 0.456 206 D N 1.297 121.836 120.400 0.233 0.000 2.488 206 D HA -0.087 4.553 4.640 -0.000 0.000 0.238 206 D C 1.092 177.538 176.300 0.243 0.000 1.138 206 D CA 0.292 54.426 54.000 0.224 0.000 0.873 206 D CB 0.855 41.794 40.800 0.232 0.000 1.183 206 D HN 0.561 nan 8.370 nan 0.000 0.458 207 E N 1.908 122.212 120.200 0.174 0.000 2.097 207 E HA -0.206 4.144 4.350 -0.000 0.000 0.196 207 E C 1.732 178.393 176.600 0.102 0.000 1.000 207 E CA 1.113 57.593 56.400 0.133 0.000 0.804 207 E CB 0.044 29.806 29.700 0.103 0.000 0.740 207 E HN 0.610 nan 8.360 nan 0.000 0.454 208 L N -0.396 120.907 121.223 0.133 0.000 2.240 208 L HA -0.065 4.275 4.340 -0.000 0.000 0.211 208 L C 2.149 179.136 176.870 0.195 0.000 1.106 208 L CA 0.132 55.038 54.840 0.110 0.000 0.793 208 L CB -0.206 41.899 42.059 0.077 0.000 0.927 208 L HN 0.187 nan 8.230 nan 0.000 0.446 209 F N 0.476 120.501 119.950 0.124 0.000 2.113 209 F HA -0.175 4.352 4.527 -0.000 0.000 0.297 209 F C 2.223 177.996 175.800 -0.045 0.000 1.103 209 F CA 1.410 59.399 58.000 -0.019 0.000 1.248 209 F CB -0.268 38.708 39.000 -0.041 0.000 0.999 209 F HN -0.260 nan 8.300 nan 0.000 0.475 210 V N 0.526 120.421 119.914 -0.032 0.000 2.287 210 V HA -0.347 3.773 4.120 -0.000 0.000 0.248 210 V C 2.141 178.153 176.094 -0.137 0.000 1.053 210 V CA 2.326 64.600 62.300 -0.043 0.000 1.027 210 V CB -0.888 31.012 31.823 0.128 0.000 0.646 210 V HN 0.379 nan 8.190 nan 0.000 0.447 211 D N 0.264 120.527 120.400 -0.229 0.000 2.126 211 D HA -0.229 4.411 4.640 -0.000 0.000 0.190 211 D C 2.098 178.296 176.300 -0.170 0.000 1.001 211 D CA 1.881 55.707 54.000 -0.291 0.000 0.841 211 D CB -0.220 40.450 40.800 -0.217 0.000 0.949 211 D HN 0.390 nan 8.370 nan 0.000 0.446 212 A N -0.356 122.360 122.820 -0.174 0.000 1.933 212 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 212 A C 2.135 179.534 177.584 -0.310 0.000 1.175 212 A CA 1.178 53.112 52.037 -0.172 0.000 0.628 212 A CB -0.837 18.098 19.000 -0.109 0.000 0.814 212 A HN 0.383 nan 8.150 nan 0.000 0.444 213 L N -2.097 118.831 121.223 -0.492 0.000 2.083 213 L HA -0.084 4.256 4.340 -0.000 0.000 0.209 213 L C 1.915 178.449 176.870 -0.561 0.000 1.083 213 L CA 1.816 56.285 54.840 -0.618 0.000 0.752 213 L CB -0.643 41.027 42.059 -0.648 0.000 0.899 213 L HN 0.518 nan 8.230 nan 0.000 0.433 214 Y N -1.918 118.298 120.300 -0.141 0.000 2.458 214 Y HA 0.177 4.727 4.550 -0.000 0.000 0.254 214 Y C 1.605 177.556 175.900 0.084 0.000 1.120 214 Y CA 0.019 58.139 58.100 0.035 0.000 1.282 214 Y CB 0.193 38.755 38.460 0.169 0.000 1.109 214 Y HN 0.213 nan 8.280 nan 0.000 0.526 215 N N -0.662 118.120 118.700 0.137 0.000 2.177 215 N HA 0.117 4.857 4.740 -0.000 0.000 0.218 215 N C -0.199 175.367 175.510 0.093 0.000 1.182 215 N CA 0.386 53.551 53.050 0.192 0.000 0.882 215 N CB 0.830 39.407 38.487 0.150 0.000 1.052 215 N HN 0.170 nan 8.380 nan 0.000 0.519 216 S N -1.030 114.675 115.700 0.008 0.000 2.685 216 S HA 0.621 5.091 4.470 -0.000 0.000 0.282 216 S C 0.057 174.614 174.600 -0.071 0.000 1.159 216 S CA -0.698 57.494 58.200 -0.013 0.000 0.833 216 S CB 1.765 64.952 63.200 -0.021 0.000 1.151 216 S HN 0.080 nan 8.310 nan 0.000 0.485 220 E N 0.814 120.984 120.200 -0.051 0.000 2.058 220 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 220 E C 1.224 177.862 176.600 0.063 0.000 0.997 220 E CA 1.559 57.963 56.400 0.006 0.000 0.801 220 E CB 0.172 29.869 29.700 -0.004 0.000 0.746 220 E HN 0.492 nan 8.360 nan 0.000 0.450 224 S N -0.787 115.031 115.700 0.196 0.000 2.371 224 S HA 0.026 4.496 4.470 -0.000 0.000 0.221 224 S C 1.251 176.020 174.600 0.281 0.000 1.036 224 S CA 0.899 59.233 58.200 0.223 0.000 0.965 224 S CB 0.024 63.363 63.200 0.232 0.000 0.845 224 S HN 0.384 nan 8.310 nan 0.000 0.475 225 Y N 1.302 121.746 120.300 0.240 0.000 2.476 225 Y HA 0.367 4.917 4.550 -0.000 0.000 0.283 225 Y C 1.605 177.589 175.900 0.140 0.000 1.109 225 Y CA 0.446 58.708 58.100 0.271 0.000 1.246 225 Y CB 0.020 38.654 38.460 0.289 0.000 1.068 225 Y HN 0.517 nan 8.280 nan 0.000 0.552 226 G N 0.260 109.218 108.800 0.262 0.000 2.582 226 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.222 226 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.222 226 G C 0.107 175.111 174.900 0.172 0.000 1.311 226 G CA -0.053 45.151 45.100 0.173 0.000 0.915 226 G HN 0.210 nan 8.290 nan 0.000 0.528 227 E N -0.828 119.426 120.200 0.090 0.000 2.413 227 E HA 0.434 4.784 4.350 -0.000 0.000 0.203 227 E C 0.304 176.653 176.600 -0.418 0.000 0.957 227 E CA 0.445 56.750 56.400 -0.157 0.000 0.950 227 E CB 0.460 29.916 29.700 -0.407 0.000 0.957 227 E HN 0.333 nan 8.360 nan 0.000 0.497 228 F N -0.543 119.529 119.950 0.205 0.000 2.640 228 F HA 0.529 5.056 4.527 -0.000 0.000 0.324 228 F C -0.367 175.458 175.800 0.041 0.000 1.077 228 F CA -1.520 56.537 58.000 0.096 0.000 0.965 228 F CB 1.169 40.238 39.000 0.115 0.000 1.351 228 F HN -0.400 nan 8.300 nan 0.000 0.487 229 V N 2.148 122.165 119.914 0.172 0.000 2.555 229 V HA 0.407 4.527 4.120 -0.000 0.000 0.302 229 V C -0.397 175.699 176.094 0.004 0.000 1.038 229 V CA -0.924 61.332 62.300 -0.073 0.000 0.887 229 V CB 1.855 33.345 31.823 -0.554 0.000 0.991 229 V HN 0.484 nan 8.190 nan 0.000 0.434 230 L N 4.085 125.303 121.223 -0.008 0.000 2.315 230 L HA 0.317 4.657 4.340 -0.000 0.000 0.283 230 L C 1.303 178.189 176.870 0.028 0.000 1.089 230 L CA 0.251 55.108 54.840 0.028 0.000 0.833 230 L CB 1.283 43.372 42.059 0.051 0.000 1.170 230 L HN 0.999 nan 8.230 nan 0.000 0.442 231 T N -1.759 112.797 114.554 0.004 0.000 2.955 231 T HA 0.267 4.617 4.350 -0.000 0.000 0.251 231 T C 0.626 175.274 174.700 -0.086 0.000 1.002 231 T CA 0.229 62.284 62.100 -0.076 0.000 0.970 231 T CB 0.652 69.352 68.868 -0.279 0.000 1.091 231 T HN 0.549 nan 8.240 nan 0.000 0.495 232 G N 1.020 109.792 108.800 -0.047 0.000 2.719 232 G HA2 0.601 4.561 3.960 -0.000 0.000 0.284 232 G HA3 0.601 4.561 3.960 -0.000 0.000 0.284 232 G C -1.361 173.476 174.900 -0.105 0.000 1.488 232 G CA -0.993 44.020 45.100 -0.145 0.000 1.139 232 G HN 0.506 nan 8.290 nan 0.000 0.552 233 Y N 0.722 120.848 120.300 -0.290 0.000 2.705 233 Y HA 0.805 5.355 4.550 -0.000 0.000 0.332 233 Y C -1.906 173.772 175.900 -0.370 0.000 1.221 233 Y CA -2.237 55.686 58.100 -0.296 0.000 1.059 233 Y CB 1.146 39.535 38.460 -0.119 0.000 1.298 233 Y HN 0.425 nan 8.280 nan 0.000 0.459 234 Y N 0.566 120.998 120.300 0.221 0.000 2.487 234 Y HA 0.698 5.248 4.550 -0.000 0.000 0.337 234 Y C 0.223 176.261 175.900 0.231 0.000 1.076 234 Y CA -0.524 57.654 58.100 0.129 0.000 1.115 234 Y CB 2.411 40.924 38.460 0.089 0.000 1.235 234 Y HN 0.782 nan 8.280 nan 0.000 0.468 235 T N -1.135 113.615 114.554 0.326 0.000 2.907 235 T HA 0.925 5.275 4.350 -0.000 0.000 0.292 235 T C -0.019 174.751 174.700 0.117 0.000 1.043 235 T CA -0.108 62.148 62.100 0.260 0.000 1.003 235 T CB 2.010 71.047 68.868 0.282 0.000 1.084 235 T HN 1.160 nan 8.240 nan 0.000 0.483 236 G N 0.225 109.028 108.800 0.004 0.000 2.534 236 G HA2 0.506 4.466 3.960 -0.000 0.000 0.142 236 G HA3 0.506 4.466 3.960 -0.000 0.000 0.142 236 G C -0.459 174.309 174.900 -0.221 0.000 1.178 236 G CA -0.171 44.705 45.100 -0.374 0.000 1.037 236 G HN 1.407 nan 8.290 nan 0.000 0.474 237 G N -0.541 108.177 108.800 -0.138 0.000 2.571 237 G HA2 0.739 4.699 3.960 -0.000 0.000 0.304 237 G HA3 0.739 4.699 3.960 -0.000 0.000 0.304 237 G C -1.041 174.021 174.900 0.269 0.000 1.314 237 G CA -0.286 44.871 45.100 0.096 0.000 0.975 237 G HN 0.672 nan 8.290 nan 0.000 0.485 238 R N 0.646 121.411 120.500 0.442 0.000 2.621 238 R HA 0.691 5.031 4.340 -0.000 0.000 0.284 238 R C -0.943 175.470 176.300 0.188 0.000 0.998 238 R CA -0.664 55.623 56.100 0.312 0.000 0.895 238 R CB 1.961 32.372 30.300 0.185 0.000 1.195 238 R HN 0.752 nan 8.270 nan 0.000 0.450 239 A N 2.465 125.296 122.820 0.018 0.000 2.288 239 A HA 0.501 4.821 4.320 -0.000 0.000 0.320 239 A C -0.855 176.670 177.584 -0.098 0.000 1.217 239 A CA -0.476 51.414 52.037 -0.245 0.000 0.840 239 A CB 1.599 20.373 19.000 -0.376 0.000 1.179 239 A HN 0.578 nan 8.150 nan 0.000 0.504 240 S N 1.274 116.919 115.700 -0.091 0.000 2.472 240 S HA 0.777 5.247 4.470 -0.000 0.000 0.303 240 S C -0.401 174.159 174.600 -0.067 0.000 1.099 240 S CA 0.086 58.263 58.200 -0.037 0.000 1.077 240 S CB 1.124 64.318 63.200 -0.010 0.000 1.031 240 S HN 1.802 nan 8.310 nan 0.000 0.487 241 A N 4.784 127.573 122.820 -0.052 0.000 2.374 241 A HA 0.765 5.085 4.320 -0.000 0.000 0.305 241 A C -1.300 176.173 177.584 -0.186 0.000 1.053 241 A CA -0.646 51.286 52.037 -0.175 0.000 0.726 241 A CB 0.871 19.720 19.000 -0.252 0.000 1.229 241 A HN 0.793 nan 8.150 nan 0.000 0.431 242 L N 1.567 122.669 121.223 -0.202 0.000 2.334 242 L HA 0.729 5.069 4.340 -0.000 0.000 0.276 242 L C -1.167 175.637 176.870 -0.110 0.000 1.014 242 L CA -0.451 54.407 54.840 0.029 0.000 0.815 242 L CB 1.693 43.912 42.059 0.266 0.000 1.268 242 L HN 0.693 nan 8.230 nan 0.000 0.428 243 F N 1.150 121.215 119.950 0.192 0.000 2.563 243 F HA 0.454 4.981 4.527 -0.000 0.000 0.316 243 F C -0.750 174.872 175.800 -0.296 0.000 1.076 243 F CA -0.701 57.296 58.000 -0.005 0.000 0.921 243 F CB 1.763 40.727 39.000 -0.061 0.000 1.209 243 F HN 0.202 nan 8.300 nan 0.000 0.462 244 Y N 1.202 121.198 120.300 -0.507 0.000 2.329 244 Y HA 0.696 5.246 4.550 -0.000 0.000 0.328 244 Y C -0.467 175.187 175.900 -0.409 0.000 0.992 244 Y CA -0.909 56.791 58.100 -0.666 0.000 1.151 244 Y CB 1.627 39.328 38.460 -1.265 0.000 1.150 244 Y HN 0.681 nan 8.280 nan 0.000 0.450 245 G N 3.863 112.275 108.800 -0.646 0.000 2.495 245 G HA2 0.552 4.512 3.960 -0.000 0.000 0.318 245 G HA3 0.552 4.512 3.960 -0.000 0.000 0.318 245 G C -1.913 172.857 174.900 -0.218 0.000 1.257 245 G CA -0.785 44.092 45.100 -0.372 0.000 0.962 245 G HN 0.477 nan 8.290 nan 0.000 0.483 246 V N 2.919 122.872 119.914 0.065 0.000 2.311 246 V HA 0.207 4.327 4.120 -0.000 0.000 0.275 246 V C -0.194 175.988 176.094 0.147 0.000 1.022 246 V CA -0.897 61.433 62.300 0.050 0.000 0.830 246 V CB 1.185 33.040 31.823 0.053 0.000 1.012 246 V HN 0.762 nan 8.190 nan 0.000 0.452 247 D N 3.611 124.003 120.400 -0.013 0.000 2.348 247 D HA 0.096 4.735 4.640 -0.000 0.000 0.253 247 D C 1.111 177.297 176.300 -0.190 0.000 1.161 247 D CA 0.029 53.865 54.000 -0.274 0.000 0.876 247 D CB 1.997 42.607 40.800 -0.316 0.000 1.160 247 D HN 0.566 nan 8.370 nan 0.000 0.459 248 T N 3.143 117.569 114.554 -0.213 0.000 2.812 248 T HA -0.059 4.291 4.350 -0.000 0.000 0.264 248 T C 1.300 175.930 174.700 -0.118 0.000 1.042 248 T CA 0.733 62.760 62.100 -0.121 0.000 1.140 248 T CB 0.225 69.036 68.868 -0.095 0.000 0.870 248 T HN 0.436 nan 8.240 nan 0.000 0.445 249 N N 0.515 119.124 118.700 -0.152 0.000 2.273 249 N HA 0.170 4.910 4.740 -0.000 0.000 0.192 249 N C -0.188 175.252 175.510 -0.117 0.000 1.132 249 N CA 0.103 53.082 53.050 -0.118 0.000 0.887 249 N CB 0.791 39.212 38.487 -0.110 0.000 1.048 249 N HN 0.235 nan 8.380 nan 0.000 0.490 250 S N 0.746 116.359 115.700 -0.145 0.000 2.537 250 S HA 0.467 4.937 4.470 -0.000 0.000 0.301 250 S C 1.248 175.783 174.600 -0.109 0.000 1.092 250 S CA -0.784 57.340 58.200 -0.126 0.000 1.048 250 S CB 1.842 64.955 63.200 -0.145 0.000 1.053 250 S HN 0.252 nan 8.310 nan 0.000 0.501 251 I N -1.800 118.721 120.570 -0.082 0.000 4.288 251 I HA 0.235 4.405 4.170 -0.000 0.000 0.331 251 I C 0.495 176.589 176.117 -0.039 0.000 1.322 251 I CA -0.257 61.008 61.300 -0.057 0.000 1.149 251 I CB 0.229 38.206 38.000 -0.038 0.000 1.112 251 I HN 0.479 nan 8.210 nan 0.000 0.403 252 Q N 1.809 121.564 119.800 -0.075 0.000 2.313 252 Q HA 0.158 4.498 4.340 -0.000 0.000 0.266 252 Q C 0.825 176.742 176.000 -0.139 0.000 0.989 252 Q CA 0.049 55.779 55.803 -0.120 0.000 0.890 252 Q CB 0.706 29.319 28.738 -0.207 0.000 1.200 252 Q HN 0.504 nan 8.270 nan 0.000 0.396 253 F N 2.578 122.508 119.950 -0.034 0.000 2.134 253 F HA -0.112 4.415 4.527 -0.000 0.000 0.299 253 F C 1.709 177.493 175.800 -0.026 0.000 1.097 253 F CA 1.804 59.785 58.000 -0.031 0.000 1.264 253 F CB -0.664 38.328 39.000 -0.013 0.000 1.001 253 F HN 0.739 nan 8.300 nan 0.000 0.479 254 D N 0.988 121.070 120.400 -0.529 0.000 2.103 254 D HA -0.222 4.418 4.640 -0.000 0.000 0.190 254 D C 1.998 178.223 176.300 -0.125 0.000 0.997 254 D CA 1.954 55.795 54.000 -0.265 0.000 0.833 254 D CB -0.933 39.610 40.800 -0.428 0.000 0.961 254 D HN 0.458 nan 8.370 nan 0.000 0.447 255 S N 1.036 116.634 115.700 -0.170 0.000 2.368 255 S HA -0.129 4.341 4.470 -0.000 0.000 0.225 255 S C 1.923 176.462 174.600 -0.102 0.000 1.030 255 S CA 1.007 59.131 58.200 -0.126 0.000 0.999 255 S CB -0.172 62.943 63.200 -0.141 0.000 0.844 255 S HN 0.322 nan 8.310 nan 0.000 0.459 256 K N 1.085 121.432 120.400 -0.089 0.000 2.097 256 K HA -0.107 4.213 4.320 -0.000 0.000 0.206 256 K C 2.142 178.736 176.600 -0.009 0.000 1.049 256 K CA 1.332 57.574 56.287 -0.075 0.000 0.933 256 K CB -0.171 32.294 32.500 -0.059 0.000 0.717 256 K HN 0.450 nan 8.250 nan 0.000 0.442 257 E N 0.592 120.808 120.200 0.026 0.000 2.150 257 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 257 E C 2.327 178.952 176.600 0.042 0.000 0.985 257 E CA 1.374 57.808 56.400 0.057 0.000 0.814 257 E CB -0.046 29.721 29.700 0.111 0.000 0.752 257 E HN 0.302 nan 8.360 nan 0.000 0.466 258 K N 1.469 121.876 120.400 0.013 0.000 2.097 258 K HA -0.110 4.210 4.320 -0.000 0.000 0.206 258 K C 0.981 177.587 176.600 0.010 0.000 1.049 258 K CA 1.671 57.960 56.287 0.003 0.000 0.933 258 K CB -0.696 31.790 32.500 -0.023 0.000 0.717 258 K HN 0.042 nan 8.250 nan 0.000 0.442 262 V N 2.250 122.173 119.914 0.015 0.000 2.324 262 V HA -0.236 3.884 4.120 -0.000 0.000 0.250 262 V C 2.628 178.720 176.094 -0.002 0.000 1.060 262 V CA 2.692 65.001 62.300 0.014 0.000 1.042 262 V CB -0.740 31.097 31.823 0.024 0.000 0.650 262 V HN 0.386 nan 8.190 nan 0.000 0.450 263 A N -0.304 122.515 122.820 -0.003 0.000 1.877 263 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 263 A C 2.184 179.654 177.584 -0.190 0.000 1.186 263 A CA 1.962 53.953 52.037 -0.076 0.000 0.620 263 A CB -0.553 18.362 19.000 -0.142 0.000 0.822 263 A HN 0.494 nan 8.150 nan 0.000 0.443 264 I N 0.293 120.692 120.570 -0.284 0.000 2.163 264 I HA -0.297 3.873 4.170 -0.000 0.000 0.243 264 I C 1.881 178.003 176.117 0.008 0.000 1.085 264 I CA 1.379 62.470 61.300 -0.348 0.000 1.347 264 I CB -0.431 37.374 38.000 -0.326 0.000 1.044 264 I HN 0.334 nan 8.210 nan 0.000 0.408 265 N N 0.949 119.676 118.700 0.045 0.000 2.381 265 N HA -0.062 4.678 4.740 -0.000 0.000 0.182 265 N C 1.494 176.974 175.510 -0.050 0.000 1.025 265 N CA 1.252 54.345 53.050 0.071 0.000 0.888 265 N CB -0.165 38.346 38.487 0.041 0.000 0.965 265 N HN 0.328 nan 8.380 nan 0.000 0.438 266 A N -0.552 122.245 122.820 -0.039 0.000 2.307 266 A HA 0.229 4.549 4.320 -0.000 0.000 0.218 266 A C 1.208 178.767 177.584 -0.041 0.000 1.228 266 A CA 0.117 52.124 52.037 -0.050 0.000 0.857 266 A CB 0.230 19.213 19.000 -0.028 0.000 0.897 266 A HN 0.079 nan 8.150 nan 0.000 0.495 267 S N -1.200 114.496 115.700 -0.006 0.000 2.846 267 S HA 0.375 4.845 4.470 -0.000 0.000 0.249 267 S C -0.529 174.162 174.600 0.152 0.000 1.028 267 S CA -0.422 57.797 58.200 0.032 0.000 1.043 267 S CB -0.160 63.036 63.200 -0.006 0.000 0.990 267 S HN 0.710 nan 8.310 nan 0.000 0.564 268 Y N 0.132 120.443 120.300 0.019 0.000 2.597 268 Y HA 0.794 5.344 4.550 -0.000 0.000 0.340 268 Y C -1.186 174.761 175.900 0.078 0.000 1.097 268 Y CA -1.282 56.848 58.100 0.050 0.000 1.037 268 Y CB 0.888 39.401 38.460 0.088 0.000 1.305 268 Y HN 0.001 nan 8.280 nan 0.000 0.463 269 E N 2.453 122.701 120.200 0.080 0.000 2.263 269 E HA 0.309 4.659 4.350 -0.000 0.000 0.268 269 E C -2.451 174.311 176.600 0.269 0.000 0.884 269 E CA -0.667 55.752 56.400 0.031 0.000 0.766 269 E CB 1.260 30.977 29.700 0.029 0.000 1.196 269 E HN 0.726 nan 8.360 nan 0.000 0.416 270 W N 5.687 127.035 121.300 0.080 0.000 2.443 270 W HA 0.565 5.225 4.660 0.000 0.000 0.303 270 W C -0.953 175.610 176.519 0.073 0.000 0.991 270 W CA -0.621 56.808 57.345 0.140 0.000 1.522 270 W CB 0.224 29.820 29.460 0.227 0.000 1.315 270 W HN 0.644 nan 8.180 nan 0.000 0.419 288 N N -0.652 118.194 118.700 0.244 0.000 2.397 288 N HA 0.614 5.354 4.740 -0.000 0.000 0.291 288 N C -2.010 173.595 175.510 0.158 0.000 1.065 288 N CA -0.361 52.790 53.050 0.169 0.000 0.884 288 N CB 2.365 40.939 38.487 0.145 0.000 1.551 288 N HN 0.533 nan 8.380 nan 0.000 0.487 289 L N 2.252 123.526 121.223 0.086 0.000 2.436 289 L HA 0.628 4.968 4.340 -0.000 0.000 0.268 289 L C -1.063 175.858 176.870 0.084 0.000 0.974 289 L CA -0.224 54.642 54.840 0.042 0.000 0.826 289 L CB 1.724 43.732 42.059 -0.085 0.000 1.291 289 L HN 0.638 nan 8.230 nan 0.000 0.406 290 S N 3.717 119.478 115.700 0.103 0.000 2.537 290 S HA 0.798 5.268 4.470 -0.000 0.000 0.270 290 S C -1.067 173.600 174.600 0.112 0.000 1.142 290 S CA -0.752 57.501 58.200 0.089 0.000 0.870 290 S CB 1.516 64.756 63.200 0.067 0.000 1.112 290 S HN 0.360 nan 8.310 nan 0.000 0.466 291 I N 1.420 122.031 120.570 0.069 0.000 2.493 291 I HA 0.870 5.040 4.170 -0.000 0.000 0.298 291 I C 0.532 176.602 176.117 -0.079 0.000 0.998 291 I CA 0.539 61.857 61.300 0.030 0.000 1.137 291 I CB 1.609 39.602 38.000 -0.012 0.000 1.310 291 I HN 1.315 nan 8.210 nan 0.000 0.445 292 G N 2.679 111.391 108.800 -0.147 0.000 2.435 292 G HA2 0.067 4.027 3.960 -0.000 0.000 0.603 292 G HA3 0.067 4.027 3.960 -0.000 0.000 0.603 292 G C -0.821 174.050 174.900 -0.047 0.000 1.496 292 G CA -1.157 43.857 45.100 -0.143 0.000 0.896 292 G HN 0.521 nan 8.290 nan 0.000 0.657 293 T N 2.731 117.268 114.554 -0.028 0.000 2.901 293 T HA 0.353 4.703 4.350 -0.000 0.000 0.301 293 T C 0.872 175.572 174.700 -0.000 0.000 1.012 293 T CA 0.053 62.148 62.100 -0.007 0.000 1.135 293 T CB 0.866 69.738 68.868 0.007 0.000 0.936 293 T HN 0.554 nan 8.240 nan 0.000 0.539 294 K N 2.095 122.492 120.400 -0.005 0.000 2.326 294 K HA 0.280 4.600 4.320 -0.000 0.000 0.275 294 K C 1.929 178.531 176.600 0.003 0.000 1.018 294 K CA -0.367 55.917 56.287 -0.003 0.000 0.962 294 K CB 0.373 32.868 32.500 -0.008 0.000 0.953 294 K HN 0.643 nan 8.250 nan 0.000 0.475 295 R N 3.308 123.811 120.500 0.004 0.000 2.154 295 R HA -0.242 4.098 4.340 -0.000 0.000 0.248 295 R C 1.656 177.961 176.300 0.008 0.000 1.155 295 R CA 2.472 58.577 56.100 0.009 0.000 0.979 295 R CB -1.171 29.133 30.300 0.007 0.000 0.869 295 R HN 0.826 nan 8.270 nan 0.000 0.452 296 E N 0.786 120.988 120.200 0.003 0.000 2.006 296 E HA -0.088 4.262 4.350 -0.000 0.000 0.192 296 E C 1.752 178.353 176.600 0.002 0.000 0.993 296 E CA 1.194 57.594 56.400 0.001 0.000 0.808 296 E CB -0.023 29.676 29.700 -0.003 0.000 0.764 296 E HN 0.525 nan 8.360 nan 0.000 0.449 297 N N 0.627 119.326 118.700 -0.001 0.000 2.571 297 N HA -0.083 4.657 4.740 -0.000 0.000 0.189 297 N C 1.490 177.005 175.510 0.008 0.000 1.154 297 N CA 0.703 53.752 53.050 -0.002 0.000 0.907 297 N CB -0.045 38.436 38.487 -0.011 0.000 0.977 297 N HN 0.082 nan 8.380 nan 0.000 0.449 298 S N 1.007 116.716 115.700 0.014 0.000 2.419 298 S HA -0.193 4.277 4.470 -0.000 0.000 0.235 298 S C 1.772 176.392 174.600 0.033 0.000 1.019 298 S CA 1.101 59.317 58.200 0.026 0.000 0.982 298 S CB -0.042 63.176 63.200 0.029 0.000 0.789 298 S HN 0.407 nan 8.310 nan 0.000 0.490 299 E N 0.158 120.373 120.200 0.024 0.000 2.118 299 E HA -0.133 4.217 4.350 -0.000 0.000 0.195 299 E C 1.684 178.299 176.600 0.025 0.000 0.992 299 E CA 1.665 58.078 56.400 0.022 0.000 0.804 299 E CB -0.401 29.306 29.700 0.012 0.000 0.741 299 E HN 0.655 nan 8.360 nan 0.000 0.458 300 T N 0.494 115.062 114.554 0.023 0.000 2.946 300 T HA -0.099 4.251 4.350 -0.000 0.000 0.271 300 T C 1.644 176.382 174.700 0.063 0.000 1.104 300 T CA 0.999 63.116 62.100 0.027 0.000 1.114 300 T CB -0.012 68.866 68.868 0.017 0.000 0.867 300 T HN 0.230 nan 8.240 nan 0.000 0.513 301 I N 0.983 121.604 120.570 0.085 0.000 2.947 301 I HA -0.043 4.127 4.170 -0.000 0.000 0.263 301 I C 2.776 179.017 176.117 0.206 0.000 1.130 301 I CA 1.044 62.446 61.300 0.170 0.000 1.448 301 I CB -0.398 37.664 38.000 0.104 0.000 1.222 301 I HN 0.252 nan 8.210 nan 0.000 0.453 302 T N -1.479 113.147 114.554 0.120 0.000 3.007 302 T HA -0.059 4.291 4.350 -0.000 0.000 0.270 302 T C 1.539 176.273 174.700 0.056 0.000 1.107 302 T CA 0.981 63.142 62.100 0.102 0.000 1.118 302 T CB -0.436 68.474 68.868 0.070 0.000 0.889 302 T HN 0.125 nan 8.240 nan 0.000 0.506 303 N N 1.387 120.106 118.700 0.032 0.000 2.166 303 N HA -0.010 4.729 4.740 -0.000 0.000 0.186 303 N C 1.761 177.226 175.510 -0.075 0.000 1.019 303 N CA 0.945 53.985 53.050 -0.016 0.000 0.856 303 N CB -0.050 38.426 38.487 -0.018 0.000 0.993 303 N HN 0.402 nan 8.380 nan 0.000 0.426 304 K N -0.949 119.383 120.400 -0.114 0.000 2.335 304 K HA 0.182 4.502 4.320 -0.000 0.000 0.195 304 K C -0.227 176.018 176.600 -0.593 0.000 1.058 304 K CA 0.212 56.272 56.287 -0.378 0.000 0.988 304 K CB 0.443 32.634 32.500 -0.515 0.000 0.880 304 K HN 0.062 nan 8.250 nan 0.000 0.513 305 F N 0.863 120.789 119.950 -0.040 0.000 2.482 305 F HA 0.136 4.663 4.527 -0.000 0.000 0.331 305 F C 1.495 177.283 175.800 -0.019 0.000 1.115 305 F CA -0.774 57.201 58.000 -0.041 0.000 0.955 305 F CB 1.893 40.868 39.000 -0.042 0.000 1.136 305 F HN -0.137 nan 8.300 nan 0.000 0.452 306 S N 1.421 117.208 115.700 0.144 0.000 2.436 306 S HA 0.469 4.939 4.470 -0.000 0.000 0.228 306 S C 0.549 175.223 174.600 0.125 0.000 1.014 306 S CA 0.459 58.719 58.200 0.100 0.000 0.950 306 S CB 0.075 63.309 63.200 0.057 0.000 0.784 306 S HN 0.721 nan 8.310 nan 0.000 0.504 307 A N 0.521 123.438 122.820 0.162 0.000 2.488 307 A HA 0.735 5.055 4.320 -0.000 0.000 0.298 307 A C -1.674 175.959 177.584 0.082 0.000 1.044 307 A CA -0.602 51.510 52.037 0.125 0.000 0.693 307 A CB 1.647 20.714 19.000 0.111 0.000 1.272 307 A HN 0.472 nan 8.150 nan 0.000 0.402 308 L N 1.831 123.074 121.223 0.033 0.000 2.504 308 L HA 0.652 4.992 4.340 -0.000 0.000 0.265 308 L C -0.724 176.210 176.870 0.106 0.000 0.975 308 L CA 0.055 54.850 54.840 -0.075 0.000 0.864 308 L CB 1.478 43.354 42.059 -0.305 0.000 1.212 308 L HN 0.597 nan 8.230 nan 0.000 0.416 309 S N 3.965 119.751 115.700 0.142 0.000 2.549 309 S HA 0.830 5.300 4.470 -0.000 0.000 0.297 309 S C -1.163 173.684 174.600 0.412 0.000 1.115 309 S CA -0.354 58.012 58.200 0.277 0.000 1.059 309 S CB 1.470 64.835 63.200 0.275 0.000 1.046 309 S HN 0.541 nan 8.310 nan 0.000 0.506 310 Y N -0.725 119.738 120.300 0.272 0.000 2.553 310 Y HA 0.840 5.390 4.550 -0.000 0.000 0.347 310 Y C -0.636 175.276 175.900 0.020 0.000 1.019 310 Y CA -1.083 57.077 58.100 0.100 0.000 1.032 310 Y CB 1.266 39.644 38.460 -0.137 0.000 1.284 310 Y HN 0.524 nan 8.280 nan 0.000 0.466 311 S N 3.265 118.879 115.700 -0.144 0.000 2.547 311 S HA 0.802 5.272 4.470 -0.000 0.000 0.281 311 S C -1.154 173.328 174.600 -0.198 0.000 1.118 311 S CA -0.644 57.341 58.200 -0.358 0.000 0.947 311 S CB 0.592 63.483 63.200 -0.516 0.000 1.053 311 S HN 1.046 nan 8.310 nan 0.000 0.482 312 I N 1.235 121.694 120.570 -0.184 0.000 2.846 312 I HA 0.813 4.983 4.170 -0.000 0.000 0.307 312 I C -0.949 175.086 176.117 -0.137 0.000 1.053 312 I CA -0.879 60.340 61.300 -0.135 0.000 1.050 312 I CB 2.038 39.974 38.000 -0.105 0.000 1.239 312 I HN 0.648 nan 8.210 nan 0.000 0.439 313 K N 2.285 122.614 120.400 -0.118 0.000 2.498 313 K HA 0.565 4.885 4.320 -0.000 0.000 0.254 313 K C -1.139 175.380 176.600 -0.135 0.000 0.933 313 K CA -0.450 55.785 56.287 -0.087 0.000 0.806 313 K CB 2.166 34.621 32.500 -0.075 0.000 1.301 313 K HN 0.939 nan 8.250 nan 0.000 0.432 314 T N 0.960 115.426 114.554 -0.147 0.000 2.895 314 T HA 0.543 4.893 4.350 -0.000 0.000 0.283 314 T C -0.190 174.557 174.700 0.078 0.000 1.014 314 T CA -0.934 61.008 62.100 -0.263 0.000 1.037 314 T CB 0.729 69.114 68.868 -0.805 0.000 1.006 314 T HN 0.370 nan 8.240 nan 0.000 0.468 315 L N 2.590 123.967 121.223 0.256 0.000 2.319 315 L HA 0.664 5.004 4.340 -0.000 0.000 0.281 315 L C 0.987 178.133 176.870 0.460 0.000 1.005 315 L CA -0.537 54.557 54.840 0.424 0.000 0.828 315 L CB 0.863 43.148 42.059 0.377 0.000 1.227 315 L HN 1.299 nan 8.230 nan 0.000 0.415 316 G N 2.050 111.064 108.800 0.357 0.000 2.828 316 G HA2 0.225 4.185 3.960 -0.000 0.000 0.463 316 G HA3 0.225 4.185 3.960 -0.000 0.000 0.463 316 G C 0.207 175.308 174.900 0.335 0.000 1.394 316 G CA -0.166 45.081 45.100 0.245 0.000 0.862 316 G HN 1.366 nan 8.290 nan 0.000 0.540 317 G N -1.142 107.723 108.800 0.108 0.000 2.562 317 G HA2 0.437 4.397 3.960 -0.000 0.000 0.250 317 G HA3 0.437 4.397 3.960 -0.000 0.000 0.250 317 G C 0.528 175.431 174.900 0.006 0.000 1.269 317 G CA 1.721 46.793 45.100 -0.047 0.000 0.919 317 G HN 3.019 nan 8.290 nan 0.000 0.574 318 A N -3.276 119.519 122.820 -0.042 0.000 2.567 318 A HA 0.856 5.176 4.320 -0.000 0.000 0.289 318 A C 0.096 177.642 177.584 -0.064 0.000 1.177 318 A CA 0.539 52.444 52.037 -0.221 0.000 0.694 318 A CB 0.205 18.797 19.000 -0.680 0.000 1.292 318 A HN 2.277 nan 8.150 nan 0.000 0.425 319 Y N -2.395 117.958 120.300 0.088 0.000 4.324 319 Y HA -0.246 4.304 4.550 -0.000 0.000 0.224 319 Y C 1.145 177.028 175.900 -0.027 0.000 1.113 319 Y CA 0.984 59.098 58.100 0.025 0.000 1.887 319 Y CB -1.868 36.626 38.460 0.056 0.000 1.602 319 Y HN 1.269 nan 8.280 nan 0.000 0.654 320 G N -1.896 106.939 108.800 0.058 0.000 3.134 320 G HA2 0.541 4.501 3.960 -0.000 0.000 0.158 320 G HA3 0.541 4.501 3.960 -0.000 0.000 0.158 320 G C -1.139 173.408 174.900 -0.588 0.000 1.334 320 G CA -0.511 44.490 45.100 -0.166 0.000 1.001 320 G HN 0.155 nan 8.290 nan 0.000 0.600 321 Y N 0.224 120.462 120.300 -0.102 0.000 2.520 321 Y HA 0.293 4.843 4.550 -0.000 0.000 0.339 321 Y C 1.195 177.057 175.900 -0.062 0.000 1.113 321 Y CA -0.408 57.653 58.100 -0.065 0.000 1.255 321 Y CB 1.530 39.939 38.460 -0.085 0.000 1.099 321 Y HN 0.437 nan 8.280 nan 0.000 0.628 322 S N -0.391 115.348 115.700 0.064 0.000 2.561 322 S HA 0.210 4.680 4.470 -0.000 0.000 0.225 322 S C 0.360 174.993 174.600 0.054 0.000 0.977 322 S CA 0.324 58.575 58.200 0.084 0.000 0.926 322 S CB 0.138 63.411 63.200 0.122 0.000 0.769 322 S HN 0.464 nan 8.310 nan 0.000 0.533 323 I N 1.912 122.507 120.570 0.041 0.000 2.404 323 I HA 0.261 4.431 4.170 -0.000 0.000 0.293 323 I C -0.096 176.009 176.117 -0.020 0.000 0.992 323 I CA -0.719 60.581 61.300 -0.000 0.000 1.149 323 I CB 1.910 39.909 38.000 -0.002 0.000 1.315 323 I HN 0.011 nan 8.210 nan 0.000 0.446 324 S N 3.693 119.349 115.700 -0.073 0.000 2.593 324 S HA -0.005 4.465 4.470 -0.000 0.000 0.300 324 S C 0.497 175.008 174.600 -0.150 0.000 1.267 324 S CA -0.190 57.936 58.200 -0.123 0.000 1.065 324 S CB 0.111 63.212 63.200 -0.164 0.000 0.807 324 S HN 0.763 nan 8.310 nan 0.000 0.499 325 T N 2.563 117.006 114.554 -0.186 0.000 2.813 325 T HA 0.402 4.752 4.350 -0.000 0.000 0.297 325 T C -2.620 171.821 174.700 -0.431 0.000 1.036 325 T CA -1.714 60.244 62.100 -0.237 0.000 1.044 325 T CB -0.006 68.728 68.868 -0.224 0.000 0.993 325 T HN 0.232 nan 8.240 nan 0.000 0.535 326 P HA 0.266 nan 4.420 nan 0.000 0.272 326 P C -2.495 174.156 177.300 -1.081 0.000 1.240 326 P CA -1.534 61.140 63.100 -0.709 0.000 0.791 326 P CB -0.631 30.683 31.700 -0.643 0.000 0.978 327 P HA 0.135 nan 4.420 nan 0.000 0.276 327 P C -1.266 175.540 177.300 -0.824 0.000 1.235 327 P CA 0.412 63.066 63.100 -0.743 0.000 0.772 327 P CB 0.216 31.680 31.700 -0.395 0.000 0.871 328 Y N -0.086 119.930 120.300 -0.473 0.000 2.587 328 Y HA 0.349 4.899 4.550 -0.000 0.000 0.337 328 Y C 0.785 176.672 175.900 -0.020 0.000 1.065 328 Y CA -1.024 56.859 58.100 -0.362 0.000 1.126 328 Y CB 0.609 38.690 38.460 -0.632 0.000 1.279 328 Y HN 0.258 nan 8.280 nan 0.000 0.489 329 D N 1.087 121.661 120.400 0.289 0.000 2.371 329 D HA 0.003 4.643 4.640 -0.000 0.000 0.256 329 D C 0.807 177.367 176.300 0.434 0.000 1.193 329 D CA 0.133 54.314 54.000 0.302 0.000 0.881 329 D CB 0.848 41.779 40.800 0.218 0.000 1.143 329 D HN 0.539 nan 8.370 nan 0.000 0.473 330 I N 3.637 124.461 120.570 0.422 0.000 2.423 330 I HA -0.229 3.941 4.170 -0.000 0.000 0.254 330 I C 2.044 178.260 176.117 0.166 0.000 1.151 330 I CA 1.869 63.350 61.300 0.303 0.000 1.421 330 I CB -0.281 37.823 38.000 0.173 0.000 1.079 330 I HN 0.647 nan 8.210 nan 0.000 0.431 331 T N -3.698 110.951 114.554 0.158 0.000 3.044 331 T HA 0.130 4.480 4.350 -0.000 0.000 0.250 331 T C 1.485 176.248 174.700 0.105 0.000 1.081 331 T CA 0.338 62.500 62.100 0.103 0.000 1.040 331 T CB -0.183 68.737 68.868 0.086 0.000 0.962 331 T HN 0.266 nan 8.240 nan 0.000 0.506 332 N N -0.604 118.189 118.700 0.154 0.000 2.445 332 N HA 0.176 4.916 4.740 -0.000 0.000 0.204 332 N C -0.850 174.750 175.510 0.150 0.000 1.098 332 N CA -0.039 53.091 53.050 0.134 0.000 0.859 332 N CB 0.650 39.219 38.487 0.137 0.000 1.249 332 N HN 0.390 nan 8.380 nan 0.000 0.462 333 Y N 0.991 121.355 120.300 0.107 0.000 2.330 333 Y HA 0.456 5.006 4.550 -0.000 0.000 0.336 333 Y C -0.291 175.666 175.900 0.096 0.000 1.036 333 Y CA -0.462 57.666 58.100 0.046 0.000 1.125 333 Y CB 1.391 39.833 38.460 -0.031 0.000 1.194 333 Y HN -0.273 nan 8.280 nan 0.000 0.469 334 S N 5.652 121.261 115.700 -0.153 0.000 2.536 334 S HA 0.708 5.178 4.470 -0.000 0.000 0.287 334 S C -1.336 173.210 174.600 -0.090 0.000 1.101 334 S CA -0.612 57.572 58.200 -0.027 0.000 0.950 334 S CB 0.671 63.830 63.200 -0.068 0.000 1.056 334 S HN 0.595 nan 8.310 nan 0.000 0.481 335 I N 2.963 123.564 120.570 0.051 0.000 2.436 335 I HA 0.326 4.496 4.170 -0.000 0.000 0.289 335 I C -1.091 175.055 176.117 0.047 0.000 1.010 335 I CA -0.665 60.650 61.300 0.026 0.000 1.098 335 I CB 2.015 40.004 38.000 -0.018 0.000 1.266 335 I HN 0.545 nan 8.210 nan 0.000 0.434 336 D N 6.967 127.414 120.400 0.079 0.000 2.317 336 D HA 0.336 4.976 4.640 -0.000 0.000 0.234 336 D C -0.053 176.358 176.300 0.184 0.000 1.112 336 D CA -0.148 53.915 54.000 0.105 0.000 0.840 336 D CB 1.043 41.890 40.800 0.078 0.000 1.078 336 D HN 0.418 nan 8.370 nan 0.000 0.486 337 L N 3.596 124.927 121.223 0.180 0.000 2.848 337 L HA 0.173 4.513 4.340 -0.000 0.000 0.240 337 L C 1.570 178.621 176.870 0.302 0.000 1.232 337 L CA -0.190 54.812 54.840 0.270 0.000 1.031 337 L CB 0.026 42.198 42.059 0.188 0.000 1.338 337 L HN 0.428 nan 8.230 nan 0.000 0.509 338 T N 0.922 115.595 114.554 0.199 0.000 2.737 338 T HA -0.033 4.317 4.350 -0.000 0.000 0.265 338 T C -0.497 174.294 174.700 0.153 0.000 1.038 338 T CA 1.279 63.469 62.100 0.151 0.000 1.144 338 T CB -0.524 68.404 68.868 0.101 0.000 0.866 338 T HN 0.271 nan 8.240 nan 0.000 0.434 339 P HA -0.075 nan 4.420 nan 0.000 0.218 339 P C 1.102 178.562 177.300 0.266 0.000 1.149 339 P CA 0.900 64.077 63.100 0.129 0.000 0.817 339 P CB -0.205 31.514 31.700 0.032 0.000 0.785 340 W N 0.968 122.355 121.300 0.145 0.000 2.378 340 W HA -0.138 4.522 4.660 -0.000 0.000 0.313 340 W C 2.062 178.637 176.519 0.093 0.000 1.197 340 W CA 0.819 58.247 57.345 0.139 0.000 1.304 340 W CB -1.135 28.391 29.460 0.111 0.000 1.148 340 W HN -0.205 nan 8.180 nan 0.000 0.494 341 L N 1.770 123.024 121.223 0.053 0.000 2.013 341 L HA -0.293 4.047 4.340 -0.000 0.000 0.212 341 L C 2.705 179.431 176.870 -0.239 0.000 1.073 341 L CA 2.959 57.634 54.840 -0.275 0.000 0.753 341 L CB -1.378 40.668 42.059 -0.020 0.000 0.890 341 L HN 0.467 nan 8.230 nan 0.000 0.432 342 Q N -1.428 118.333 119.800 -0.064 0.000 2.435 342 Q HA -0.075 4.265 4.340 -0.000 0.000 0.207 342 Q C 1.816 177.799 176.000 -0.028 0.000 0.956 342 Q CA 1.087 56.876 55.803 -0.023 0.000 0.917 342 Q CB -0.474 28.280 28.738 0.026 0.000 0.997 342 Q HN 0.662 nan 8.270 nan 0.000 0.497 343 S N 0.819 116.487 115.700 -0.053 0.000 2.453 343 S HA -0.015 4.455 4.470 -0.000 0.000 0.231 343 S C 1.822 176.359 174.600 -0.106 0.000 1.005 343 S CA 0.275 58.460 58.200 -0.025 0.000 0.949 343 S CB -0.421 62.792 63.200 0.022 0.000 0.774 343 S HN 0.452 nan 8.310 nan 0.000 0.510 344 L N 1.425 122.521 121.223 -0.211 0.000 2.551 344 L HA 0.043 4.383 4.340 -0.000 0.000 0.228 344 L C 1.916 178.833 176.870 0.078 0.000 1.153 344 L CA 0.249 55.034 54.840 -0.091 0.000 0.851 344 L CB -0.729 41.169 42.059 -0.268 0.000 0.959 344 L HN 0.289 nan 8.230 nan 0.000 0.451 345 N N 0.010 118.718 118.700 0.014 0.000 2.223 345 N HA -0.141 4.599 4.740 -0.000 0.000 0.185 345 N C 0.695 176.201 175.510 -0.007 0.000 1.016 345 N CA 0.878 53.946 53.050 0.029 0.000 0.863 345 N CB -0.287 38.211 38.487 0.018 0.000 0.983 345 N HN 0.244 nan 8.380 nan 0.000 0.429 346 D N 1.638 122.014 120.400 -0.039 0.000 2.359 346 D HA 0.073 4.712 4.640 -0.000 0.000 0.250 346 D C -1.609 174.542 176.300 -0.248 0.000 1.264 346 D CA -2.078 51.865 54.000 -0.094 0.000 0.911 346 D CB 1.080 41.842 40.800 -0.063 0.000 1.056 346 D HN 0.098 nan 8.370 nan 0.000 0.499 347 P HA -0.136 nan 4.420 nan 0.000 0.225 347 P C 0.632 177.585 177.300 -0.580 0.000 1.148 347 P CA 0.799 63.422 63.100 -0.795 0.000 0.779 347 P CB 0.322 31.799 31.700 -0.372 0.000 0.780 348 K N -0.359 119.876 120.400 -0.274 0.000 2.439 348 K HA -0.020 4.300 4.320 -0.000 0.000 0.197 348 K C 1.844 178.381 176.600 -0.104 0.000 1.041 348 K CA 1.375 57.574 56.287 -0.146 0.000 0.970 348 K CB -1.025 31.422 32.500 -0.088 0.000 0.773 348 K HN 0.292 nan 8.250 nan 0.000 0.479 349 T N -2.547 111.938 114.554 -0.115 0.000 3.129 349 T HA 0.045 4.395 4.350 -0.000 0.000 0.251 349 T C 0.497 175.256 174.700 0.098 0.000 1.117 349 T CA -0.200 61.889 62.100 -0.019 0.000 1.034 349 T CB -0.454 68.403 68.868 -0.019 0.000 0.968 349 T HN 0.194 nan 8.240 nan 0.000 0.526 350 H N 0.733 119.800 119.070 -0.005 0.000 2.757 350 H HA 0.503 5.059 4.556 -0.000 0.000 0.370 350 H C 0.317 175.669 175.328 0.039 0.000 1.172 350 H CA -0.198 55.866 56.048 0.027 0.000 1.426 350 H CB 0.904 30.696 29.762 0.051 0.000 1.438 350 H HN 0.175 nan 8.280 nan 0.000 0.612 354 D N 1.220 121.740 120.400 0.201 0.000 2.683 354 D HA 0.534 5.174 4.640 -0.000 0.000 0.246 354 D C -1.534 174.934 176.300 0.280 0.000 1.238 354 D CA -0.260 53.872 54.000 0.220 0.000 0.759 354 D CB 2.785 43.714 40.800 0.214 0.000 1.349 354 D HN 0.136 nan 8.370 nan 0.000 0.426 355 L N 1.603 122.933 121.223 0.178 0.000 2.360 355 L HA 0.427 4.767 4.340 -0.000 0.000 0.271 355 L C 0.924 177.878 176.870 0.141 0.000 1.057 355 L CA -0.710 54.176 54.840 0.077 0.000 0.803 355 L CB 1.256 43.259 42.059 -0.093 0.000 1.207 355 L HN 0.242 nan 8.230 nan 0.000 0.445 356 Q N 0.433 120.200 119.800 -0.055 0.000 2.317 356 Q HA 0.153 4.493 4.340 -0.000 0.000 0.229 356 Q C -1.069 174.909 176.000 -0.036 0.000 0.984 356 Q CA -0.901 54.866 55.803 -0.059 0.000 0.911 356 Q CB 0.863 29.444 28.738 -0.261 0.000 1.217 356 Q HN 0.403 nan 8.270 nan 0.000 0.501 357 D N 0.392 120.788 120.400 -0.007 0.000 2.450 357 D HA 0.162 4.802 4.640 -0.000 0.000 0.247 357 D C 0.826 177.086 176.300 -0.065 0.000 1.162 357 D CA 1.315 55.285 54.000 -0.049 0.000 0.879 357 D CB 0.471 41.256 40.800 -0.024 0.000 1.163 357 D HN 0.786 nan 8.370 nan 0.000 0.472 358 G N 2.151 110.889 108.800 -0.103 0.000 2.153 358 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.252 358 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.252 358 G C 1.151 176.058 174.900 0.012 0.000 0.994 358 G CA 0.353 45.417 45.100 -0.059 0.000 0.698 358 G HN 0.713 nan 8.290 nan 0.000 0.521 359 G N -0.717 108.040 108.800 -0.071 0.000 2.813 359 G HA2 0.391 4.351 3.960 -0.000 0.000 0.209 359 G HA3 0.391 4.351 3.960 -0.000 0.000 0.209 359 G C 0.655 175.523 174.900 -0.055 0.000 1.150 359 G CA 0.208 45.271 45.100 -0.062 0.000 0.785 359 G HN 0.561 nan 8.290 nan 0.000 0.535 360 L N 0.872 122.019 121.223 -0.127 0.000 2.280 360 L HA 0.455 4.795 4.340 -0.000 0.000 0.287 360 L C -0.942 175.918 176.870 -0.018 0.000 1.023 360 L CA -1.060 53.679 54.840 -0.169 0.000 0.819 360 L CB 1.355 43.088 42.059 -0.543 0.000 1.212 360 L HN -0.027 nan 8.230 nan 0.000 0.420 361 Y N 4.331 124.600 120.300 -0.052 0.000 2.419 361 Y HA 0.427 4.977 4.550 -0.000 0.000 0.328 361 Y C -1.942 174.033 175.900 0.125 0.000 1.162 361 Y CA -2.783 55.335 58.100 0.031 0.000 1.174 361 Y CB 1.364 39.959 38.460 0.227 0.000 1.228 361 Y HN 0.364 nan 8.280 nan 0.000 0.473 362 P HA 0.135 nan 4.420 nan 0.000 0.271 362 P C 0.811 178.020 177.300 -0.152 0.000 1.218 362 P CA 0.172 63.168 63.100 -0.174 0.000 0.780 362 P CB 1.124 32.474 31.700 -0.584 0.000 0.901 363 I N 1.415 121.607 120.570 -0.631 0.000 2.335 363 I HA -0.290 3.880 4.170 -0.000 0.000 0.251 363 I C 2.327 178.287 176.117 -0.261 0.000 1.129 363 I CA 2.046 63.058 61.300 -0.481 0.000 1.402 363 I CB -0.791 36.810 38.000 -0.664 0.000 1.069 363 I HN 0.408 nan 8.210 nan 0.000 0.424 364 S N 0.055 115.488 115.700 -0.445 0.000 2.419 364 S HA -0.207 4.263 4.470 -0.000 0.000 0.235 364 S C 1.456 176.091 174.600 0.058 0.000 1.019 364 S CA 1.297 59.495 58.200 -0.004 0.000 0.982 364 S CB -0.436 62.912 63.200 0.248 0.000 0.789 364 S HN 0.398 nan 8.310 nan 0.000 0.490 365 D N 0.580 120.999 120.400 0.032 0.000 2.348 365 D HA 0.111 4.751 4.640 -0.000 0.000 0.216 365 D C 0.397 176.493 176.300 -0.340 0.000 0.970 365 D CA 0.579 54.509 54.000 -0.116 0.000 0.889 365 D CB -0.225 40.505 40.800 -0.117 0.000 0.912 365 D HN 0.532 nan 8.370 nan 0.000 0.524 366 F N 0.157 120.110 119.950 0.006 0.000 2.639 366 F HA 0.282 4.809 4.527 -0.000 0.000 0.302 366 F C 0.848 176.705 175.800 0.095 0.000 1.097 366 F CA -0.368 57.644 58.000 0.020 0.000 1.294 366 F CB 0.200 39.171 39.000 -0.048 0.000 1.027 366 F HN -0.165 nan 8.300 nan 0.000 0.550 367 I N -3.106 117.589 120.570 0.208 0.000 2.934 367 I HA 0.383 4.553 4.170 -0.000 0.000 0.306 367 I C 0.016 176.210 176.117 0.127 0.000 1.110 367 I CA -0.846 60.587 61.300 0.222 0.000 1.019 367 I CB 2.318 40.490 38.000 0.287 0.000 1.227 367 I HN -0.132 nan 8.210 nan 0.000 0.434 368 L N 0.702 122.004 121.223 0.133 0.000 2.416 368 L HA 0.229 4.569 4.340 -0.000 0.000 0.216 368 L C 0.325 177.216 176.870 0.035 0.000 1.098 368 L CA 0.340 55.227 54.840 0.079 0.000 0.840 368 L CB -0.202 41.934 42.059 0.127 0.000 0.981 368 L HN 0.671 nan 8.230 nan 0.000 0.462 369 E N 0.864 121.073 120.200 0.015 0.000 2.265 369 E HA -0.062 4.288 4.350 -0.000 0.000 0.272 369 E C 0.762 177.285 176.600 -0.129 0.000 1.067 369 E CA 0.010 56.308 56.400 -0.169 0.000 0.900 369 E CB 0.948 30.326 29.700 -0.536 0.000 1.017 369 E HN -0.002 nan 8.360 nan 0.000 0.431 370 E N 3.673 123.731 120.200 -0.237 0.000 2.085 370 E HA -0.269 4.081 4.350 -0.000 0.000 0.194 370 E C 1.321 177.903 176.600 -0.029 0.000 0.994 370 E CA 1.964 58.280 56.400 -0.141 0.000 0.801 370 E CB -0.017 29.492 29.700 -0.317 0.000 0.743 370 E HN 0.606 nan 8.360 nan 0.000 0.453 371 N N -0.131 118.458 118.700 -0.185 0.000 2.216 371 N HA -0.157 4.583 4.740 -0.000 0.000 0.183 371 N C 1.688 177.403 175.510 0.342 0.000 1.017 371 N CA 1.122 54.126 53.050 -0.076 0.000 0.861 371 N CB -0.817 37.547 38.487 -0.204 0.000 0.986 371 N HN 0.151 nan 8.380 nan 0.000 0.428 372 F N 1.536 121.533 119.950 0.078 0.000 2.146 372 F HA 0.083 4.610 4.527 -0.000 0.000 0.298 372 F C 2.273 178.180 175.800 0.178 0.000 1.096 372 F CA 0.418 58.472 58.000 0.090 0.000 1.275 372 F CB -0.742 38.255 39.000 -0.005 0.000 1.008 372 F HN 0.063 nan 8.300 nan 0.000 0.480 373 K N 0.093 120.714 120.400 0.369 0.000 2.009 373 K HA -0.204 4.116 4.320 -0.000 0.000 0.210 373 K C 2.034 178.882 176.600 0.413 0.000 1.049 373 K CA 1.640 58.134 56.287 0.346 0.000 0.929 373 K CB -0.371 32.283 32.500 0.256 0.000 0.714 373 K HN 0.320 nan 8.250 nan 0.000 0.440 374 Q N 0.079 120.121 119.800 0.404 0.000 2.167 374 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 374 Q C 2.251 178.476 176.000 0.376 0.000 0.970 374 Q CA 1.101 57.150 55.803 0.410 0.000 0.855 374 Q CB -0.052 28.982 28.738 0.494 0.000 0.911 374 Q HN 0.249 nan 8.270 nan 0.000 0.438 375 R N -0.012 120.719 120.500 0.385 0.000 2.075 375 R HA -0.192 4.148 4.340 -0.000 0.000 0.232 375 R C 2.207 178.667 176.300 0.267 0.000 1.126 375 R CA 1.185 57.466 56.100 0.302 0.000 0.963 375 R CB -0.343 30.118 30.300 0.268 0.000 0.858 375 R HN 0.243 nan 8.270 nan 0.000 0.435 376 Y N 2.021 122.447 120.300 0.209 0.000 2.040 376 Y HA -0.349 4.201 4.550 -0.000 0.000 0.275 376 Y C 1.794 177.863 175.900 0.282 0.000 1.171 376 Y CA 2.298 60.518 58.100 0.200 0.000 1.123 376 Y CB -0.575 37.994 38.460 0.182 0.000 0.963 376 Y HN 0.171 nan 8.280 nan 0.000 0.493 377 N N 0.637 119.477 118.700 0.234 0.000 2.036 377 N HA -0.199 4.541 4.740 -0.000 0.000 0.195 377 N C 1.335 176.936 175.510 0.153 0.000 1.037 377 N CA 1.919 55.102 53.050 0.222 0.000 0.855 377 N CB -0.691 38.025 38.487 0.382 0.000 1.033 377 N HN 0.514 nan 8.380 nan 0.000 0.423 378 D N -0.563 119.964 120.400 0.212 0.000 2.289 378 D HA 0.017 4.657 4.640 -0.000 0.000 0.207 378 D C 1.548 177.965 176.300 0.195 0.000 0.966 378 D CA 0.655 54.828 54.000 0.288 0.000 0.868 378 D CB -0.321 40.668 40.800 0.316 0.000 0.943 378 D HN 0.252 nan 8.370 nan 0.000 0.514 379 T N -0.374 114.255 114.554 0.125 0.000 2.857 379 T HA -0.115 4.235 4.350 -0.000 0.000 0.266 379 T C 1.051 175.783 174.700 0.054 0.000 1.048 379 T CA 0.673 62.835 62.100 0.105 0.000 1.139 379 T CB -0.166 68.754 68.868 0.086 0.000 0.874 379 T HN 0.270 nan 8.240 nan 0.000 0.455 383 F N 0.762 120.732 119.950 0.035 0.000 2.619 383 F HA 0.219 4.746 4.527 -0.000 0.000 0.293 383 F C 1.051 176.890 175.800 0.065 0.000 1.119 383 F CA 0.718 58.741 58.000 0.038 0.000 1.445 383 F CB 0.464 39.481 39.000 0.029 0.000 1.119 383 F HN -0.229 nan 8.300 nan 0.000 0.573 384 Q N -0.786 119.168 119.800 0.257 0.000 2.397 384 Q HA 0.305 4.645 4.340 -0.000 0.000 0.275 384 Q C -1.732 174.421 176.000 0.256 0.000 1.090 384 Q CA -0.618 55.316 55.803 0.218 0.000 0.809 384 Q CB 2.615 31.468 28.738 0.191 0.000 1.362 384 Q HN 0.270 nan 8.270 nan 0.000 0.431 385 Y N 1.054 121.394 120.300 0.066 0.000 2.583 385 Y HA 0.141 4.691 4.550 -0.000 0.000 0.303 385 Y C -0.885 175.042 175.900 0.046 0.000 1.108 385 Y CA -0.161 57.968 58.100 0.048 0.000 1.252 385 Y CB 1.086 39.564 38.460 0.030 0.000 1.114 385 Y HN 0.575 nan 8.280 nan 0.000 0.594 386 Q N 2.569 122.314 119.800 -0.093 0.000 2.314 386 Q HA 0.186 4.526 4.340 -0.000 0.000 0.257 386 Q C 0.678 176.548 176.000 -0.217 0.000 0.975 386 Q CA 0.120 55.876 55.803 -0.078 0.000 0.933 386 Q CB 1.198 29.923 28.738 -0.021 0.000 1.195 386 Q HN 0.772 nan 8.270 nan 0.000 0.426 387 E N 1.528 121.638 120.200 -0.150 0.000 2.051 387 E HA -0.078 4.271 4.350 -0.000 0.000 0.192 387 E C -0.346 176.205 176.600 -0.082 0.000 0.991 387 E CA 1.144 57.457 56.400 -0.146 0.000 0.799 387 E CB 0.381 30.087 29.700 0.009 0.000 0.748 387 E HN 0.544 nan 8.360 nan 0.000 0.449 388 S N -0.656 115.031 115.700 -0.020 0.000 2.599 388 S HA 0.387 4.857 4.470 -0.000 0.000 0.287 388 S C -0.434 174.191 174.600 0.042 0.000 1.105 388 S CA -0.879 57.334 58.200 0.022 0.000 0.899 388 S CB 1.532 64.772 63.200 0.068 0.000 1.100 388 S HN 0.078 nan 8.310 nan 0.000 0.482 389 L N 1.716 122.987 121.223 0.080 0.000 2.499 389 L HA 0.247 4.587 4.340 -0.000 0.000 0.281 389 L C 0.584 177.524 176.870 0.117 0.000 1.234 389 L CA 0.519 55.425 54.840 0.109 0.000 0.839 389 L CB 0.030 42.198 42.059 0.183 0.000 1.104 389 L HN 0.704 nan 8.230 nan 0.000 0.500 390 E N 0.119 120.281 120.200 -0.064 0.000 2.445 390 E HA 0.190 4.540 4.350 -0.000 0.000 0.273 390 E C -1.207 174.794 176.600 -0.998 0.000 0.961 390 E CA -0.938 55.204 56.400 -0.430 0.000 0.807 390 E CB 1.686 31.239 29.700 -0.245 0.000 1.362 390 E HN 0.503 nan 8.360 nan 0.000 0.453 391 E N 2.307 121.559 120.200 -1.580 0.000 2.491 391 E HA 0.047 4.397 4.350 -0.000 0.000 0.250 391 E C -2.201 173.987 176.600 -0.687 0.000 1.061 391 E CA -1.341 54.050 56.400 -1.682 0.000 0.942 391 E CB 0.281 29.328 29.700 -1.089 0.000 0.957 391 E HN 0.005 nan 8.360 nan 0.000 0.480 392 P HA 0.080 nan 4.420 nan 0.000 0.272 392 P C -1.360 175.847 177.300 -0.156 0.000 1.230 392 P CA 0.277 63.098 63.100 -0.466 0.000 0.788 392 P CB 0.200 31.369 31.700 -0.886 0.000 0.949 393 Y N -1.962 118.213 120.300 -0.210 0.000 2.702 393 Y HA 0.627 5.177 4.550 -0.000 0.000 0.336 393 Y C -1.665 174.137 175.900 -0.163 0.000 1.203 393 Y CA -1.342 56.666 58.100 -0.154 0.000 1.072 393 Y CB 0.530 38.901 38.460 -0.148 0.000 1.327 393 Y HN 0.102 nan 8.280 nan 0.000 0.456 394 I N 2.757 123.327 120.570 -0.001 0.000 2.354 394 I HA 0.347 4.517 4.170 -0.000 0.000 0.292 394 I C -0.780 175.357 176.117 0.034 0.000 0.989 394 I CA -0.734 60.477 61.300 -0.148 0.000 1.188 394 I CB 1.849 39.696 38.000 -0.255 0.000 1.342 394 I HN 0.765 nan 8.210 nan 0.000 0.457 395 E N 7.265 127.462 120.200 -0.004 0.000 2.187 395 E HA 0.564 4.914 4.350 -0.000 0.000 0.268 395 E C -1.220 175.366 176.600 -0.024 0.000 0.896 395 E CA -0.759 55.675 56.400 0.057 0.000 0.766 395 E CB 2.245 32.035 29.700 0.150 0.000 1.142 395 E HN 0.479 nan 8.360 nan 0.000 0.408 396 I N 5.465 126.037 120.570 0.003 0.000 2.291 396 I HA 0.320 4.490 4.170 -0.000 0.000 0.290 396 I C 0.210 176.402 176.117 0.125 0.000 1.050 396 I CA -0.422 60.879 61.300 0.002 0.000 1.245 396 I CB 0.196 38.153 38.000 -0.071 0.000 1.405 396 I HN 0.573 nan 8.210 nan 0.000 0.478 397 I N 2.551 123.195 120.570 0.122 0.000 3.516 397 I HA 0.629 4.799 4.170 -0.000 0.000 0.302 397 I C -0.706 175.510 176.117 0.165 0.000 1.143 397 I CA -1.222 60.176 61.300 0.162 0.000 1.003 397 I CB 1.655 39.693 38.000 0.063 0.000 1.347 397 I HN 0.253 nan 8.210 nan 0.000 0.486 401 I N 4.232 124.373 120.570 -0.714 0.000 3.132 401 I HA 0.301 4.471 4.170 -0.000 0.000 0.255 401 I C 0.591 176.153 176.117 -0.926 0.000 1.118 401 I CA 1.039 61.993 61.300 -0.577 0.000 1.463 401 I CB -0.184 37.631 38.000 -0.308 0.000 1.356 401 I HN 0.743 nan 8.210 nan 0.000 0.463 402 R N 0.035 119.859 120.500 -1.128 0.000 2.855 402 R HA 0.463 4.803 4.340 -0.000 0.000 0.274 402 R C -1.188 174.874 176.300 -0.397 0.000 0.997 402 R CA -0.880 54.784 56.100 -0.725 0.000 0.856 402 R CB 1.278 31.395 30.300 -0.306 0.000 1.378 402 R HN -0.255 nan 8.270 nan 0.000 0.462 403 K N 0.697 121.052 120.400 -0.075 0.000 2.123 403 K HA 0.399 4.719 4.320 -0.000 0.000 0.248 403 K C -0.400 176.182 176.600 -0.031 0.000 0.969 403 K CA -0.644 55.646 56.287 0.005 0.000 0.882 403 K CB 1.869 34.412 32.500 0.073 0.000 1.080 403 K HN 0.688 nan 8.250 nan 0.000 0.441 404 S N 0.296 115.986 115.700 -0.016 0.000 2.652 404 S HA 0.028 4.498 4.470 -0.000 0.000 0.270 404 S C 0.951 175.550 174.600 -0.001 0.000 1.243 404 S CA -0.453 57.739 58.200 -0.013 0.000 0.999 404 S CB 0.855 64.052 63.200 -0.006 0.000 0.973 404 S HN 0.740 nan 8.310 nan 0.000 0.544 405 N N 1.559 120.257 118.700 -0.002 0.000 2.258 405 N HA -0.198 4.542 4.740 -0.000 0.000 0.187 405 N C 1.366 176.879 175.510 0.006 0.000 1.012 405 N CA 1.788 54.839 53.050 0.002 0.000 0.870 405 N CB -0.995 37.493 38.487 0.000 0.000 0.977 405 N HN 0.747 nan 8.380 nan 0.000 0.434 406 S N -2.047 113.658 115.700 0.008 0.000 2.631 406 S HA 0.339 4.809 4.470 -0.000 0.000 0.217 406 S C 1.394 176.002 174.600 0.014 0.000 0.958 406 S CA 0.130 58.336 58.200 0.010 0.000 0.920 406 S CB -0.793 62.413 63.200 0.011 0.000 0.776 406 S HN 0.749 nan 8.310 nan 0.000 0.517 407 G N 0.812 109.622 108.800 0.016 0.000 2.159 407 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.256 407 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.256 407 G C -0.203 174.715 174.900 0.031 0.000 0.977 407 G CA 0.212 45.325 45.100 0.022 0.000 0.652 407 G HN 0.708 nan 8.290 nan 0.000 0.531 408 E N 1.226 121.444 120.200 0.029 0.000 2.265 408 E HA 0.318 4.668 4.350 -0.000 0.000 0.272 408 E C 0.567 177.190 176.600 0.039 0.000 1.067 408 E CA -0.436 55.988 56.400 0.040 0.000 0.900 408 E CB 0.207 29.929 29.700 0.036 0.000 1.017 408 E HN 0.344 nan 8.360 nan 0.000 0.431 409 K N 4.390 124.828 120.400 0.062 0.000 2.451 409 K HA 0.101 4.421 4.320 -0.000 0.000 0.280 409 K C -0.280 176.227 176.600 -0.156 0.000 1.020 409 K CA 0.257 56.556 56.287 0.021 0.000 1.008 409 K CB 0.477 33.006 32.500 0.048 0.000 0.917 409 K HN 0.472 nan 8.250 nan 0.000 0.478 410 L N 3.923 124.943 121.223 -0.337 0.000 2.334 410 L HA 0.477 4.817 4.340 -0.000 0.000 0.276 410 L C -0.787 175.764 176.870 -0.530 0.000 1.014 410 L CA -1.054 53.611 54.840 -0.293 0.000 0.815 410 L CB 0.764 42.721 42.059 -0.171 0.000 1.268 410 L HN 0.497 nan 8.230 nan 0.000 0.428 411 Y N -0.288 120.023 120.300 0.018 0.000 2.545 411 Y HA 0.411 4.961 4.550 -0.000 0.000 0.348 411 Y C -0.301 175.620 175.900 0.034 0.000 1.002 411 Y CA -0.924 57.197 58.100 0.035 0.000 1.039 411 Y CB 1.920 40.421 38.460 0.068 0.000 1.271 411 Y HN 0.454 nan 8.280 nan 0.000 0.467 412 D N 0.729 121.250 120.400 0.201 0.000 2.326 412 D HA 0.517 5.157 4.640 -0.000 0.000 0.251 412 D C -1.062 175.347 176.300 0.181 0.000 1.023 412 D CA -0.312 53.772 54.000 0.140 0.000 0.966 412 D CB 1.129 41.979 40.800 0.084 0.000 1.156 412 D HN 0.441 nan 8.370 nan 0.000 0.494 413 I N 1.990 122.645 120.570 0.142 0.000 2.339 413 I HA 0.323 4.493 4.170 -0.000 0.000 0.290 413 I C -0.525 175.640 176.117 0.080 0.000 0.994 413 I CA -0.888 60.496 61.300 0.141 0.000 1.191 413 I CB 1.447 39.502 38.000 0.092 0.000 1.343 413 I HN 0.157 nan 8.210 nan 0.000 0.458 414 V N 4.875 124.835 119.914 0.077 0.000 2.789 414 V HA 0.725 4.845 4.120 -0.000 0.000 0.311 414 V C -2.835 173.255 176.094 -0.007 0.000 1.073 414 V CA -2.285 60.043 62.300 0.047 0.000 0.921 414 V CB 1.836 33.695 31.823 0.060 0.000 1.009 414 V HN 0.434 nan 8.190 nan 0.000 0.426 415 P HA 0.561 nan 4.420 nan 0.000 0.286 415 P C -1.062 176.007 177.300 -0.385 0.000 1.261 415 P CA -0.524 62.471 63.100 -0.176 0.000 0.821 415 P CB 1.933 33.545 31.700 -0.147 0.000 1.013 416 V N 3.475 123.124 119.914 -0.442 0.000 2.524 416 V HA 0.178 4.298 4.120 -0.000 0.000 0.297 416 V C -0.153 175.599 176.094 -0.570 0.000 1.035 416 V CA -0.770 61.225 62.300 -0.509 0.000 0.867 416 V CB 1.683 33.358 31.823 -0.247 0.000 1.004 416 V HN 0.410 nan 8.190 nan 0.000 0.426 417 L N 5.454 126.231 121.223 -0.742 0.000 2.281 417 L HA 0.449 4.789 4.340 -0.000 0.000 0.285 417 L C 0.265 176.911 176.870 -0.374 0.000 1.074 417 L CA 0.534 55.063 54.840 -0.519 0.000 0.817 417 L CB 0.416 42.239 42.059 -0.394 0.000 1.168 417 L HN 0.626 nan 8.230 nan 0.000 0.434 418 N N 3.526 121.922 118.700 -0.508 0.000 2.419 418 N HA 0.233 4.973 4.740 -0.000 0.000 0.264 418 N C -0.269 175.053 175.510 -0.314 0.000 1.031 418 N CA -0.156 52.574 53.050 -0.532 0.000 0.951 418 N CB 1.089 38.880 38.487 -1.160 0.000 1.101 418 N HN 0.753 nan 8.380 nan 0.000 0.488 419 T N -0.260 114.239 114.554 -0.092 0.000 2.816 419 T HA 0.209 4.559 4.350 -0.000 0.000 0.282 419 T C 1.428 176.119 174.700 -0.015 0.000 0.993 419 T CA -0.512 61.650 62.100 0.103 0.000 0.994 419 T CB 1.349 70.340 68.868 0.205 0.000 1.025 419 T HN 0.403 nan 8.240 nan 0.000 0.529 420 R N 0.288 120.810 120.500 0.036 0.000 2.154 420 R HA -0.158 4.182 4.340 -0.000 0.000 0.248 420 R C 2.244 178.563 176.300 0.031 0.000 1.155 420 R CA 1.754 57.843 56.100 -0.018 0.000 0.979 420 R CB -0.344 30.031 30.300 0.125 0.000 0.869 420 R HN 0.651 nan 8.270 nan 0.000 0.452 421 Q N -1.284 118.578 119.800 0.104 0.000 2.425 421 Q HA 0.133 4.473 4.340 -0.000 0.000 0.204 421 Q C 1.054 177.098 176.000 0.072 0.000 0.933 421 Q CA 0.837 56.694 55.803 0.092 0.000 0.939 421 Q CB 0.835 29.667 28.738 0.158 0.000 1.044 421 Q HN 0.533 nan 8.270 nan 0.000 0.513 422 G N -0.052 108.773 108.800 0.043 0.000 2.159 422 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.227 422 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.227 422 G C -0.621 174.312 174.900 0.054 0.000 0.986 422 G CA -0.097 45.018 45.100 0.024 0.000 0.651 422 G HN 0.280 nan 8.290 nan 0.000 0.523 423 D N 1.125 121.594 120.400 0.114 0.000 2.345 423 D HA 0.367 5.007 4.640 -0.000 0.000 0.247 423 D C 0.373 176.734 176.300 0.101 0.000 1.108 423 D CA 0.225 54.349 54.000 0.207 0.000 0.894 423 D CB 0.894 41.886 40.800 0.321 0.000 1.203 423 D HN 0.097 nan 8.370 nan 0.000 0.430 424 K N 2.400 122.873 120.400 0.122 0.000 2.268 424 K HA 0.316 4.636 4.320 -0.000 0.000 0.276 424 K C -0.120 176.532 176.600 0.086 0.000 1.080 424 K CA -0.442 55.853 56.287 0.014 0.000 0.910 424 K CB 0.947 33.432 32.500 -0.026 0.000 1.163 424 K HN 0.312 nan 8.250 nan 0.000 0.465 425 L N 5.345 126.555 121.223 -0.022 0.000 2.302 425 L HA 0.370 4.710 4.340 -0.000 0.000 0.285 425 L C 0.302 177.127 176.870 -0.075 0.000 1.090 425 L CA -0.546 54.292 54.840 -0.005 0.000 0.866 425 L CB -0.100 41.960 42.059 0.001 0.000 1.244 425 L HN 0.382 nan 8.230 nan 0.000 0.435 426 I N 3.310 123.892 120.570 0.019 0.000 2.379 426 I HA 0.074 4.244 4.170 -0.000 0.000 0.290 426 I C -0.239 175.993 176.117 0.190 0.000 1.063 426 I CA -0.111 61.190 61.300 0.002 0.000 1.351 426 I CB 0.353 38.376 38.000 0.038 0.000 1.410 426 I HN 0.332 nan 8.210 nan 0.000 0.505 427 F N 5.211 125.137 119.950 -0.039 0.000 2.406 427 F HA 0.215 4.742 4.527 -0.000 0.000 0.358 427 F C 0.969 176.752 175.800 -0.028 0.000 1.161 427 F CA -1.163 56.804 58.000 -0.055 0.000 1.185 427 F CB -0.358 38.608 39.000 -0.056 0.000 1.421 427 F HN 0.372 nan 8.300 nan 0.000 0.576 428 S N 2.033 117.825 115.700 0.153 0.000 2.672 428 S HA 0.504 4.974 4.470 -0.000 0.000 0.276 428 S C -0.074 174.568 174.600 0.070 0.000 1.207 428 S CA -1.033 57.226 58.200 0.097 0.000 1.002 428 S CB 1.477 64.726 63.200 0.082 0.000 0.998 428 S HN 0.466 nan 8.310 nan 0.000 0.542 429 N N 1.910 120.645 118.700 0.058 0.000 2.800 429 N HA 0.251 4.991 4.740 -0.000 0.000 0.240 429 N C -2.296 173.234 175.510 0.032 0.000 1.096 429 N CA -1.585 51.491 53.050 0.043 0.000 0.877 429 N CB 1.228 39.740 38.487 0.042 0.000 1.138 429 N HN 0.389 nan 8.380 nan 0.000 0.509 430 P HA -0.183 nan 4.420 nan 0.000 0.217 430 P C 0.798 178.107 177.300 0.014 0.000 1.148 430 P CA 1.402 64.517 63.100 0.024 0.000 0.828 430 P CB 0.230 31.946 31.700 0.027 0.000 0.783 431 D N -0.184 120.225 120.400 0.015 0.000 2.378 431 D HA -0.014 4.626 4.640 -0.000 0.000 0.227 431 D C 1.629 177.932 176.300 0.005 0.000 1.012 431 D CA 0.675 54.680 54.000 0.009 0.000 0.905 431 D CB -0.755 40.052 40.800 0.012 0.000 0.895 431 D HN 0.119 nan 8.370 nan 0.000 0.532 432 A N 0.963 123.787 122.820 0.006 0.000 1.933 432 A HA 0.081 4.401 4.320 -0.000 0.000 0.218 432 A C 2.440 180.014 177.584 -0.018 0.000 1.175 432 A CA 1.774 53.812 52.037 0.001 0.000 0.628 432 A CB -0.889 18.116 19.000 0.007 0.000 0.814 432 A HN 0.375 nan 8.150 nan 0.000 0.444 433 A N 0.270 123.074 122.820 -0.027 0.000 2.024 433 A HA -0.089 4.231 4.320 -0.000 0.000 0.220 433 A C 2.371 179.934 177.584 -0.035 0.000 1.164 433 A CA 2.129 54.139 52.037 -0.046 0.000 0.643 433 A CB -0.801 18.172 19.000 -0.045 0.000 0.806 433 A HN 1.057 nan 8.150 nan 0.000 0.451 434 S N -0.923 114.766 115.700 -0.019 0.000 2.562 434 S HA 0.044 4.514 4.470 -0.000 0.000 0.221 434 S C 0.797 175.390 174.600 -0.012 0.000 0.975 434 S CA -0.066 58.126 58.200 -0.013 0.000 0.918 434 S CB -0.293 62.903 63.200 -0.006 0.000 0.772 434 S HN 0.660 nan 8.310 nan 0.000 0.531 435 Q N 2.384 122.177 119.800 -0.012 0.000 2.417 435 Q HA 0.304 4.644 4.340 -0.000 0.000 0.241 435 Q C 0.341 176.333 176.000 -0.014 0.000 1.008 435 Q CA -0.088 55.711 55.803 -0.008 0.000 0.901 435 Q CB 0.765 29.501 28.738 -0.003 0.000 1.259 435 Q HN 0.595 nan 8.270 nan 0.000 0.489 436 S N 0.709 116.404 115.700 -0.008 0.000 2.585 436 S HA 0.022 4.492 4.470 -0.000 0.000 0.273 436 S C 0.209 174.802 174.600 -0.011 0.000 1.339 436 S CA -0.646 57.549 58.200 -0.009 0.000 1.028 436 S CB 0.857 64.056 63.200 -0.003 0.000 0.906 436 S HN 0.531 nan 8.310 nan 0.000 0.528 437 D N 2.152 122.543 120.400 -0.015 0.000 2.133 437 D HA -0.068 4.572 4.640 -0.000 0.000 0.195 437 D C 2.435 178.734 176.300 -0.002 0.000 0.997 437 D CA 2.239 56.229 54.000 -0.017 0.000 0.840 437 D CB -0.879 39.912 40.800 -0.016 0.000 0.947 437 D HN 0.907 nan 8.370 nan 0.000 0.452 438 E N 1.364 121.566 120.200 0.003 0.000 2.038 438 E HA -0.270 4.080 4.350 -0.000 0.000 0.195 438 E C 1.838 178.449 176.600 0.018 0.000 1.000 438 E CA 1.897 58.304 56.400 0.011 0.000 0.803 438 E CB -1.157 28.549 29.700 0.010 0.000 0.750 438 E HN 0.752 nan 8.360 nan 0.000 0.448 439 E N 0.258 120.467 120.200 0.016 0.000 2.152 439 E HA -0.034 4.316 4.350 -0.000 0.000 0.192 439 E C 2.339 178.959 176.600 0.033 0.000 0.983 439 E CA 1.026 57.440 56.400 0.023 0.000 0.818 439 E CB -0.332 29.378 29.700 0.018 0.000 0.758 439 E HN 0.495 nan 8.360 nan 0.000 0.467 440 L N 1.063 122.301 121.223 0.024 0.000 2.046 440 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 440 L C 2.888 179.796 176.870 0.063 0.000 1.077 440 L CA 1.330 56.191 54.840 0.034 0.000 0.747 440 L CB -0.480 41.575 42.059 -0.005 0.000 0.896 440 L HN 0.146 nan 8.230 nan 0.000 0.432 441 K N 0.518 120.947 120.400 0.049 0.000 2.063 441 K HA -0.227 4.093 4.320 -0.000 0.000 0.208 441 K C 2.088 178.734 176.600 0.076 0.000 1.048 441 K CA 1.521 57.848 56.287 0.066 0.000 0.928 441 K CB -0.113 32.414 32.500 0.044 0.000 0.713 441 K HN 0.289 nan 8.250 nan 0.000 0.442 442 A N 1.847 124.704 122.820 0.062 0.000 2.032 442 A HA -0.205 4.115 4.320 -0.000 0.000 0.221 442 A C 1.628 179.267 177.584 0.091 0.000 1.165 442 A CA 1.758 53.833 52.037 0.064 0.000 0.645 442 A CB -0.589 18.441 19.000 0.049 0.000 0.807 442 A HN 0.414 nan 8.150 nan 0.000 0.453 443 N N 0.183 118.951 118.700 0.114 0.000 2.430 443 N HA -0.075 4.665 4.740 -0.000 0.000 0.186 443 N C 1.225 176.843 175.510 0.179 0.000 1.032 443 N CA 1.388 54.538 53.050 0.168 0.000 0.893 443 N CB -0.236 38.368 38.487 0.194 0.000 0.957 443 N HN 0.431 nan 8.380 nan 0.000 0.442 444 S N 0.047 115.818 115.700 0.118 0.000 2.556 444 S HA 0.282 4.752 4.470 -0.000 0.000 0.216 444 S C 0.710 175.331 174.600 0.035 0.000 0.970 444 S CA -0.378 57.851 58.200 0.048 0.000 0.912 444 S CB 0.589 63.821 63.200 0.053 0.000 0.790 444 S HN 0.184 nan 8.310 nan 0.000 0.504 445 I N 3.297 123.907 120.570 0.067 0.000 2.505 445 I HA 0.102 4.272 4.170 -0.000 0.000 0.287 445 I C -1.577 174.593 176.117 0.088 0.000 1.104 445 I CA -1.906 59.429 61.300 0.059 0.000 1.387 445 I CB 1.011 39.045 38.000 0.057 0.000 1.404 445 I HN -0.018 nan 8.210 nan 0.000 0.528 446 P HA -0.279 nan 4.420 nan 0.000 0.216 446 P C 1.511 178.890 177.300 0.132 0.000 1.157 446 P CA 1.602 64.766 63.100 0.105 0.000 0.880 446 P CB 0.175 31.906 31.700 0.052 0.000 0.791 447 A N -1.075 121.792 122.820 0.079 0.000 1.958 447 A HA -0.245 4.075 4.320 -0.000 0.000 0.221 447 A C 2.226 179.846 177.584 0.059 0.000 1.178 447 A CA 2.753 54.825 52.037 0.058 0.000 0.642 447 A CB -1.877 17.146 19.000 0.038 0.000 0.816 447 A HN 0.228 nan 8.150 nan 0.000 0.453 448 T N -1.359 113.242 114.554 0.078 0.000 2.851 448 T HA -0.016 4.334 4.350 -0.000 0.000 0.262 448 T C 1.601 176.346 174.700 0.076 0.000 1.043 448 T CA 1.158 63.297 62.100 0.066 0.000 1.140 448 T CB -0.357 68.555 68.868 0.074 0.000 0.872 448 T HN 0.465 nan 8.240 nan 0.000 0.446 449 F N 2.091 122.042 119.950 0.002 0.000 2.069 449 F HA -0.089 4.438 4.527 -0.000 0.000 0.298 449 F C 1.980 177.777 175.800 -0.006 0.000 1.113 449 F CA 0.950 58.948 58.000 -0.003 0.000 1.214 449 F CB -0.628 38.364 39.000 -0.012 0.000 0.978 449 F HN 0.028 nan 8.300 nan 0.000 0.474 450 L N 0.115 121.318 121.223 -0.033 0.000 2.046 450 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 450 L C 2.315 179.097 176.870 -0.148 0.000 1.077 450 L CA 2.461 57.228 54.840 -0.121 0.000 0.747 450 L CB -1.268 40.807 42.059 0.027 0.000 0.896 450 L HN 0.223 nan 8.230 nan 0.000 0.432 451 T N -0.282 114.223 114.554 -0.081 0.000 2.684 451 T HA -0.173 4.177 4.350 -0.000 0.000 0.267 451 T C 1.894 176.534 174.700 -0.100 0.000 1.036 451 T CA 1.521 63.581 62.100 -0.067 0.000 1.148 451 T CB -0.146 68.703 68.868 -0.031 0.000 0.863 451 T HN 0.274 nan 8.240 nan 0.000 0.436 452 K N 1.129 121.451 120.400 -0.129 0.000 2.097 452 K HA 0.049 4.369 4.320 -0.000 0.000 0.205 452 K C 2.721 179.204 176.600 -0.194 0.000 1.050 452 K CA 0.861 57.067 56.287 -0.134 0.000 0.938 452 K CB -0.375 32.055 32.500 -0.116 0.000 0.718 452 K HN 0.235 nan 8.250 nan 0.000 0.442 453 S N 1.710 117.208 115.700 -0.336 0.000 2.345 453 S HA -0.105 4.365 4.470 -0.000 0.000 0.220 453 S C 1.689 176.173 174.600 -0.193 0.000 1.031 453 S CA 1.034 59.020 58.200 -0.356 0.000 0.996 453 S CB -0.301 62.538 63.200 -0.601 0.000 0.882 453 S HN 0.287 nan 8.310 nan 0.000 0.445 454 N N 2.001 120.606 118.700 -0.158 0.000 2.091 454 N HA -0.152 4.588 4.740 -0.000 0.000 0.193 454 N C 1.771 177.236 175.510 -0.074 0.000 1.021 454 N CA 1.515 54.508 53.050 -0.094 0.000 0.862 454 N CB -0.681 37.763 38.487 -0.073 0.000 1.018 454 N HN 0.441 nan 8.380 nan 0.000 0.429 455 A N 0.939 123.714 122.820 -0.075 0.000 1.877 455 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 455 A C 2.403 179.962 177.584 -0.041 0.000 1.186 455 A CA 1.031 53.038 52.037 -0.050 0.000 0.620 455 A CB -0.648 18.326 19.000 -0.044 0.000 0.822 455 A HN 0.254 nan 8.150 nan 0.000 0.443 456 I N -0.291 120.246 120.570 -0.055 0.000 2.226 456 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 456 I C 2.590 178.692 176.117 -0.025 0.000 1.100 456 I CA 1.649 62.930 61.300 -0.032 0.000 1.374 456 I CB -0.234 37.737 38.000 -0.048 0.000 1.057 456 I HN 0.339 nan 8.210 nan 0.000 0.413 457 K N 1.152 121.524 120.400 -0.047 0.000 2.063 457 K HA -0.249 4.071 4.320 -0.000 0.000 0.208 457 K C 1.464 178.049 176.600 -0.026 0.000 1.048 457 K CA 2.051 58.317 56.287 -0.035 0.000 0.928 457 K CB -0.345 32.128 32.500 -0.044 0.000 0.713 457 K HN 0.283 nan 8.250 nan 0.000 0.442 458 D N 0.693 121.073 120.400 -0.034 0.000 2.144 458 D HA -0.153 4.487 4.640 -0.000 0.000 0.199 458 D C 1.933 178.203 176.300 -0.050 0.000 0.984 458 D CA 1.055 55.030 54.000 -0.042 0.000 0.834 458 D CB -0.017 40.759 40.800 -0.040 0.000 0.955 458 D HN 0.354 nan 8.370 nan 0.000 0.465 459 E N 1.040 121.229 120.200 -0.019 0.000 2.046 459 E HA -0.111 4.239 4.350 -0.000 0.000 0.190 459 E C 1.690 178.303 176.600 0.022 0.000 0.982 459 E CA 1.172 57.576 56.400 0.005 0.000 0.800 459 E CB 0.104 29.840 29.700 0.059 0.000 0.756 459 E HN -0.051 nan 8.360 nan 0.000 0.449 460 K N 0.368 120.817 120.400 0.081 0.000 2.288 460 K HA 0.012 4.332 4.320 -0.000 0.000 0.201 460 K C 2.179 178.858 176.600 0.131 0.000 1.048 460 K CA 1.043 57.448 56.287 0.197 0.000 0.956 460 K CB -0.451 32.134 32.500 0.142 0.000 0.746 460 K HN 0.266 nan 8.250 nan 0.000 0.461 461 S N 1.306 117.010 115.700 0.007 0.000 2.442 461 S HA -0.114 4.356 4.470 -0.000 0.000 0.236 461 S C 1.743 176.263 174.600 -0.134 0.000 1.007 461 S CA 0.921 59.109 58.200 -0.020 0.000 0.965 461 S CB -0.156 63.023 63.200 -0.035 0.000 0.773 461 S HN 0.282 nan 8.310 nan 0.000 0.504 462 K N -0.155 120.034 120.400 -0.352 0.000 2.283 462 K HA -0.012 4.308 4.320 -0.000 0.000 0.202 462 K C 1.132 177.286 176.600 -0.743 0.000 1.048 462 K CA 1.437 57.345 56.287 -0.631 0.000 0.948 462 K CB -0.190 31.680 32.500 -1.050 0.000 0.742 462 K HN 0.594 nan 8.250 nan 0.000 0.458 463 Y N -2.098 118.065 120.300 -0.228 0.000 2.607 463 Y HA 0.172 4.722 4.550 -0.000 0.000 0.276 463 Y C 0.098 175.812 175.900 -0.310 0.000 1.117 463 Y CA -0.520 57.275 58.100 -0.509 0.000 1.273 463 Y CB 0.285 37.999 38.460 -1.243 0.000 1.282 463 Y HN -0.156 nan 8.280 nan 0.000 0.514 464 Y N 1.475 121.808 120.300 0.055 0.000 2.334 464 Y HA 0.360 4.910 4.550 -0.000 0.000 0.336 464 Y C 0.530 176.473 175.900 0.071 0.000 0.960 464 Y CA -0.910 57.258 58.100 0.114 0.000 1.164 464 Y CB 1.236 39.766 38.460 0.117 0.000 1.155 464 Y HN 0.027 nan 8.280 nan 0.000 0.478 465 Q N 3.024 122.955 119.800 0.218 0.000 2.222 465 Q HA 0.149 4.489 4.340 -0.000 0.000 0.206 465 Q C -0.298 175.793 176.000 0.152 0.000 0.877 465 Q CA -0.352 55.537 55.803 0.145 0.000 0.958 465 Q CB 0.162 28.963 28.738 0.104 0.000 1.075 465 Q HN 0.570 nan 8.270 nan 0.000 0.483 466 L N -1.899 119.446 121.223 0.202 0.000 2.482 466 L HA 0.318 4.658 4.340 -0.000 0.000 0.242 466 L C 0.227 177.160 176.870 0.106 0.000 1.210 466 L CA -0.787 54.147 54.840 0.157 0.000 0.819 466 L CB 0.077 42.240 42.059 0.173 0.000 1.203 466 L HN -0.221 nan 8.230 nan 0.000 0.495 467 K N 0.372 120.820 120.400 0.081 0.000 2.412 467 K HA 0.414 4.734 4.320 -0.000 0.000 0.281 467 K C -1.096 175.535 176.600 0.052 0.000 1.027 467 K CA 0.140 56.454 56.287 0.046 0.000 0.989 467 K CB 0.030 32.530 32.500 0.000 0.000 0.935 467 K HN 0.629 nan 8.250 nan 0.000 0.475 468 I N 5.870 126.452 120.570 0.020 0.000 2.447 468 I HA 0.278 4.448 4.170 -0.000 0.000 0.287 468 I C -0.503 175.609 176.117 -0.008 0.000 1.023 468 I CA -0.872 60.432 61.300 0.006 0.000 1.083 468 I CB 1.720 39.714 38.000 -0.010 0.000 1.245 468 I HN 0.654 nan 8.210 nan 0.000 0.434 469 K N 4.975 125.375 120.400 -0.001 0.000 2.444 469 K HA 0.976 5.296 4.320 -0.000 0.000 0.252 469 K C -1.482 175.126 176.600 0.013 0.000 0.993 469 K CA -0.891 55.390 56.287 -0.011 0.000 0.847 469 K CB 2.996 35.468 32.500 -0.047 0.000 1.340 469 K HN 0.532 nan 8.250 nan 0.000 0.446 470 A N 0.923 123.765 122.820 0.036 0.000 2.435 470 A HA 0.574 4.894 4.320 -0.000 0.000 0.304 470 A C -1.738 175.953 177.584 0.178 0.000 1.064 470 A CA -0.555 51.546 52.037 0.107 0.000 0.727 470 A CB 1.697 20.727 19.000 0.051 0.000 1.284 470 A HN 0.793 nan 8.150 nan 0.000 0.415 471 D N 1.905 122.460 120.400 0.258 0.000 2.470 471 D HA 0.341 4.981 4.640 -0.000 0.000 0.233 471 D C -2.377 173.876 176.300 -0.078 0.000 1.372 471 D CA -1.134 52.922 54.000 0.094 0.000 0.994 471 D CB 2.257 43.069 40.800 0.019 0.000 1.377 471 D HN 0.152 nan 8.370 nan 0.000 0.586 472 P HA 0.047 nan 4.420 nan 0.000 0.236 472 P C 0.379 177.359 177.300 -0.534 0.000 1.177 472 P CA 0.268 62.759 63.100 -1.014 0.000 0.773 472 P CB 0.536 31.512 31.700 -1.208 0.000 0.878 473 N N -0.041 118.475 118.700 -0.305 0.000 2.268 473 N HA 0.083 4.823 4.740 -0.000 0.000 0.204 473 N C 0.280 175.688 175.510 -0.170 0.000 1.124 473 N CA 0.275 53.190 53.050 -0.225 0.000 0.838 473 N CB 0.394 38.788 38.487 -0.154 0.000 0.994 473 N HN 0.289 nan 8.380 nan 0.000 0.489 474 K N 0.583 120.891 120.400 -0.154 0.000 2.182 474 K HA 0.320 4.640 4.320 -0.000 0.000 0.262 474 K C 0.123 176.665 176.600 -0.097 0.000 0.957 474 K CA -0.422 55.809 56.287 -0.094 0.000 0.842 474 K CB 1.762 34.237 32.500 -0.040 0.000 1.099 474 K HN 0.016 nan 8.250 nan 0.000 0.438 475 T N -1.260 113.257 114.554 -0.062 0.000 2.932 475 T HA 0.338 4.688 4.350 -0.000 0.000 0.289 475 T C 1.318 176.034 174.700 0.026 0.000 1.039 475 T CA -0.952 61.142 62.100 -0.010 0.000 1.024 475 T CB 0.759 69.646 68.868 0.032 0.000 1.090 475 T HN 0.596 nan 8.240 nan 0.000 0.496 476 I N -0.562 120.045 120.570 0.062 0.000 2.676 476 I HA 0.225 4.395 4.170 -0.000 0.000 0.259 476 I C 0.428 176.563 176.117 0.030 0.000 1.194 476 I CA 0.472 61.798 61.300 0.042 0.000 1.473 476 I CB -0.591 37.442 38.000 0.054 0.000 1.096 476 I HN 0.455 nan 8.210 nan 0.000 0.443 477 N N 3.068 121.796 118.700 0.047 0.000 3.194 477 N HA 0.338 5.078 4.740 -0.000 0.000 0.271 477 N C -2.470 173.042 175.510 0.004 0.000 1.308 477 N CA -1.383 51.678 53.050 0.018 0.000 1.042 477 N CB 0.440 38.942 38.487 0.025 0.000 1.310 477 N HN 0.307 nan 8.380 nan 0.000 0.502 478 P HA 0.132 nan 4.420 nan 0.000 0.274 478 P C 1.024 178.312 177.300 -0.021 0.000 1.231 478 P CA -0.354 62.739 63.100 -0.013 0.000 0.790 478 P CB 1.535 33.226 31.700 -0.014 0.000 0.951 479 I N 1.290 121.846 120.570 -0.023 0.000 2.087 479 I HA -0.252 3.918 4.170 -0.000 0.000 0.240 479 I C 1.741 177.845 176.117 -0.021 0.000 1.054 479 I CA 1.923 63.208 61.300 -0.025 0.000 1.311 479 I CB -0.752 37.234 38.000 -0.023 0.000 1.024 479 I HN 0.280 nan 8.210 nan 0.000 0.402 480 I N 1.645 122.205 120.570 -0.015 0.000 2.287 480 I HA 0.386 4.556 4.170 -0.000 0.000 0.290 480 I C 0.202 176.314 176.117 -0.009 0.000 1.069 480 I CA -0.535 60.759 61.300 -0.009 0.000 1.237 480 I CB 0.287 38.285 38.000 -0.003 0.000 1.418 480 I HN 0.188 nan 8.210 nan 0.000 0.481 481 Q N 4.197 123.988 119.800 -0.016 0.000 2.337 481 Q HA 0.416 4.756 4.340 -0.000 0.000 0.255 481 Q C 0.990 176.987 176.000 -0.005 0.000 0.997 481 Q CA 0.488 56.280 55.803 -0.019 0.000 0.925 481 Q CB 1.182 29.894 28.738 -0.043 0.000 1.212 481 Q HN 0.887 nan 8.270 nan 0.000 0.436 482 T N -0.043 114.517 114.554 0.010 0.000 3.086 482 T HA 0.239 4.589 4.350 -0.000 0.000 0.250 482 T C 0.536 175.263 174.700 0.045 0.000 1.074 482 T CA 0.372 62.493 62.100 0.034 0.000 0.988 482 T CB 0.347 69.237 68.868 0.038 0.000 0.988 482 T HN 0.463 nan 8.240 nan 0.000 0.530 483 T N 0.472 115.040 114.554 0.024 0.000 2.787 483 T HA 0.607 4.957 4.350 -0.000 0.000 0.297 483 T C -1.598 173.097 174.700 -0.007 0.000 1.221 483 T CA -0.863 61.258 62.100 0.035 0.000 1.006 483 T CB 1.203 70.098 68.868 0.045 0.000 1.328 483 T HN 0.234 nan 8.240 nan 0.000 0.509 484 L N 2.963 124.196 121.223 0.018 0.000 2.349 484 L HA 0.554 4.894 4.340 -0.000 0.000 0.275 484 L C 0.317 177.076 176.870 -0.184 0.000 1.115 484 L CA -0.349 54.432 54.840 -0.099 0.000 0.820 484 L CB 1.265 43.384 42.059 0.099 0.000 1.135 484 L HN 0.739 nan 8.230 nan 0.000 0.445 485 S N 1.934 117.352 115.700 -0.471 0.000 2.542 485 S HA 0.836 5.306 4.470 -0.000 0.000 0.293 485 S C -0.963 173.250 174.600 -0.646 0.000 1.089 485 S CA -0.756 57.246 58.200 -0.330 0.000 0.961 485 S CB 1.771 64.884 63.200 -0.145 0.000 1.062 485 S HN 0.284 nan 8.310 nan 0.000 0.483 486 F N -0.023 119.941 119.950 0.024 0.000 2.581 486 F HA 0.474 5.001 4.527 -0.000 0.000 0.311 486 F C 0.018 175.827 175.800 0.015 0.000 1.113 486 F CA -0.753 57.277 58.000 0.050 0.000 0.935 486 F CB 2.106 41.150 39.000 0.073 0.000 1.232 486 F HN 0.545 nan 8.300 nan 0.000 0.445 487 Q N 3.242 123.174 119.800 0.221 0.000 2.256 487 Q HA 0.687 5.027 4.340 -0.000 0.000 0.254 487 Q C -1.000 175.099 176.000 0.165 0.000 0.916 487 Q CA -0.421 55.476 55.803 0.157 0.000 0.932 487 Q CB 2.265 31.078 28.738 0.124 0.000 1.207 487 Q HN 0.564 nan 8.270 nan 0.000 0.426 488 I N 2.609 123.247 120.570 0.113 0.000 2.476 488 I HA 0.246 4.416 4.170 -0.000 0.000 0.281 488 I C -0.577 175.525 176.117 -0.024 0.000 1.040 488 I CA -0.957 60.367 61.300 0.039 0.000 1.094 488 I CB 1.243 39.181 38.000 -0.103 0.000 1.219 488 I HN 0.434 nan 8.210 nan 0.000 0.450 489 N N 5.640 124.352 118.700 0.020 0.000 2.479 489 N HA 0.071 4.811 4.740 -0.000 0.000 0.257 489 N C 0.344 175.839 175.510 -0.025 0.000 1.232 489 N CA 0.319 53.379 53.050 0.016 0.000 0.920 489 N CB 0.276 38.791 38.487 0.048 0.000 1.105 489 N HN 0.525 nan 8.380 nan 0.000 0.444 490 N N -1.059 117.632 118.700 -0.014 0.000 2.714 490 N HA -0.171 4.569 4.740 -0.000 0.000 0.252 490 N C -0.837 174.641 175.510 -0.054 0.000 1.014 490 N CA 0.350 53.398 53.050 -0.003 0.000 0.735 490 N CB -1.519 36.997 38.487 0.048 0.000 0.924 490 N HN 0.248 nan 8.380 nan 0.000 0.540 491 V N 0.609 120.354 119.914 -0.282 0.000 2.540 491 V HA 0.063 4.183 4.120 -0.000 0.000 0.297 491 V C 0.717 176.704 176.094 -0.178 0.000 1.024 491 V CA 0.374 62.343 62.300 -0.553 0.000 1.105 491 V CB 1.150 32.279 31.823 -1.157 0.000 0.938 491 V HN 0.357 nan 8.190 nan 0.000 0.482 492 D N 3.003 123.414 120.400 0.018 0.000 2.613 492 D HA 0.316 4.956 4.640 -0.000 0.000 0.230 492 D C 0.438 176.732 176.300 -0.011 0.000 1.365 492 D CA -0.537 53.465 54.000 0.003 0.000 0.976 492 D CB 1.779 42.596 40.800 0.028 0.000 1.415 492 D HN 0.403 nan 8.370 nan 0.000 0.589 493 E N 1.892 121.973 120.200 -0.199 0.000 2.268 493 E HA -0.053 4.297 4.350 -0.000 0.000 0.195 493 E C 1.247 177.667 176.600 -0.299 0.000 0.995 493 E CA 0.950 57.118 56.400 -0.388 0.000 0.836 493 E CB 0.170 28.997 29.700 -1.455 0.000 0.763 493 E HN 0.448 nan 8.360 nan 0.000 0.491 494 K N 0.072 120.329 120.400 -0.239 0.000 2.148 494 K HA 0.027 4.347 4.320 -0.000 0.000 0.204 494 K C 1.195 177.734 176.600 -0.101 0.000 1.050 494 K CA 1.009 57.235 56.287 -0.102 0.000 0.942 494 K CB -0.093 32.389 32.500 -0.031 0.000 0.724 494 K HN 0.148 nan 8.250 nan 0.000 0.446 498 K N 0.796 121.324 120.400 0.213 0.000 2.532 498 K HA 0.867 5.187 4.320 -0.000 0.000 0.265 498 K C -1.916 175.074 176.600 0.649 0.000 0.948 498 K CA -0.790 55.705 56.287 0.347 0.000 0.842 498 K CB 3.224 35.728 32.500 0.007 0.000 1.392 498 K HN 0.601 nan 8.250 nan 0.000 0.436 499 F N -1.312 118.929 119.950 0.484 0.000 2.693 499 F HA 0.546 5.073 4.527 -0.000 0.000 0.309 499 F C -1.832 174.022 175.800 0.090 0.000 1.129 499 F CA -1.005 57.196 58.000 0.335 0.000 0.948 499 F CB 1.780 40.858 39.000 0.130 0.000 1.315 499 F HN 0.571 nan 8.300 nan 0.000 0.447 500 K N 2.447 122.567 120.400 -0.468 0.000 2.235 500 K HA 0.283 4.603 4.320 -0.000 0.000 0.266 500 K C -0.716 175.674 176.600 -0.350 0.000 0.980 500 K CA -0.740 54.977 56.287 -0.949 0.000 0.849 500 K CB 0.834 32.354 32.500 -1.634 0.000 1.098 500 K HN 0.786 nan 8.250 nan 0.000 0.445 501 N N 3.689 122.232 118.700 -0.262 0.000 2.416 501 N HA 0.016 4.756 4.740 -0.000 0.000 0.265 501 N C 0.190 175.612 175.510 -0.147 0.000 1.195 501 N CA 0.184 53.215 53.050 -0.030 0.000 0.943 501 N CB 1.432 39.979 38.487 0.100 0.000 1.115 501 N HN 0.710 nan 8.380 nan 0.000 0.481 502 A N 4.385 127.137 122.820 -0.114 0.000 2.167 502 A HA -0.046 4.274 4.320 -0.000 0.000 0.214 502 A C 1.775 179.301 177.584 -0.097 0.000 1.151 502 A CA 0.435 52.389 52.037 -0.139 0.000 0.735 502 A CB -0.093 18.842 19.000 -0.109 0.000 0.802 502 A HN 0.712 nan 8.150 nan 0.000 0.467 503 N N 0.103 118.758 118.700 -0.075 0.000 2.171 503 N HA -0.105 4.635 4.740 -0.000 0.000 0.184 503 N C 1.809 177.301 175.510 -0.030 0.000 1.021 503 N CA 2.134 55.148 53.050 -0.060 0.000 0.854 503 N CB -0.248 38.178 38.487 -0.103 0.000 0.994 503 N HN 0.675 nan 8.380 nan 0.000 0.426 504 T N -2.972 111.565 114.554 -0.028 0.000 3.014 504 T HA 0.150 4.500 4.350 -0.000 0.000 0.250 504 T C 0.416 175.115 174.700 -0.001 0.000 1.060 504 T CA -0.194 61.924 62.100 0.030 0.000 1.040 504 T CB 0.297 69.208 68.868 0.071 0.000 0.971 504 T HN 0.008 nan 8.240 nan 0.000 0.497 505 N N 1.229 119.834 118.700 -0.158 0.000 2.754 505 N HA -0.110 4.630 4.740 -0.000 0.000 0.248 505 N C -0.893 174.308 175.510 -0.515 0.000 1.093 505 N CA 0.488 53.323 53.050 -0.359 0.000 0.699 505 N CB -1.615 36.681 38.487 -0.318 0.000 1.016 505 N HN 0.596 nan 8.380 nan 0.000 0.552 506 I N 0.104 120.394 120.570 -0.467 0.000 2.377 506 I HA 0.261 4.431 4.170 -0.000 0.000 0.293 506 I C 0.456 176.039 176.117 -0.891 0.000 0.987 506 I CA -0.676 60.232 61.300 -0.652 0.000 1.185 506 I CB 0.756 38.424 38.000 -0.554 0.000 1.341 506 I HN -0.024 nan 8.210 nan 0.000 0.455 507 W N 5.502 126.208 121.300 -0.991 0.000 2.316 507 W HA 0.321 4.981 4.660 -0.000 0.000 0.311 507 W C -0.768 175.095 176.519 -1.092 0.000 1.217 507 W CA -0.186 56.577 57.345 -0.969 0.000 1.199 507 W CB 0.663 29.423 29.460 -1.167 0.000 1.202 507 W HN 0.299 nan 8.180 nan 0.000 0.528 508 Y N 4.424 124.488 120.300 -0.392 0.000 2.345 508 Y HA 0.434 4.984 4.550 -0.000 0.000 0.331 508 Y C 0.078 175.936 175.900 -0.070 0.000 0.959 508 Y CA -0.845 57.057 58.100 -0.329 0.000 1.204 508 Y CB 0.642 38.724 38.460 -0.631 0.000 1.135 508 Y HN 0.100 nan 8.280 nan 0.000 0.477 509 I N 6.025 126.663 120.570 0.113 0.000 2.306 509 I HA 0.198 4.368 4.170 -0.000 0.000 0.288 509 I C -0.930 175.227 176.117 0.068 0.000 1.036 509 I CA -0.864 60.475 61.300 0.065 0.000 1.221 509 I CB 0.153 38.134 38.000 -0.032 0.000 1.385 509 I HN 0.493 nan 8.210 nan 0.000 0.472 510 Y N 4.790 125.032 120.300 -0.096 0.000 2.524 510 Y HA 0.578 5.128 4.550 -0.000 0.000 0.344 510 Y C -0.683 175.107 175.900 -0.183 0.000 1.012 510 Y CA -1.654 56.334 58.100 -0.186 0.000 1.068 510 Y CB 0.925 39.229 38.460 -0.260 0.000 1.249 510 Y HN 0.368 nan 8.280 nan 0.000 0.468 511 N N 3.920 122.420 118.700 -0.334 0.000 2.511 511 N HA 0.331 5.071 4.740 -0.000 0.000 0.249 511 N C -2.350 173.193 175.510 0.055 0.000 0.971 511 N CA -2.518 50.329 53.050 -0.339 0.000 0.938 511 N CB 1.739 39.750 38.487 -0.793 0.000 1.131 511 N HN 0.567 nan 8.380 nan 0.000 0.505 512 P HA 0.093 nan 4.420 nan 0.000 0.249 512 P C 0.474 177.828 177.300 0.090 0.000 1.241 512 P CA 0.413 63.680 63.100 0.277 0.000 0.781 512 P CB 0.557 32.441 31.700 0.307 0.000 1.088 513 T N -2.073 112.505 114.554 0.040 0.000 3.004 513 T HA 0.095 4.445 4.350 -0.000 0.000 0.243 513 T C 1.152 175.860 174.700 0.013 0.000 1.020 513 T CA 0.547 62.662 62.100 0.025 0.000 1.145 513 T CB -0.119 68.770 68.868 0.036 0.000 0.876 513 T HN 0.080 nan 8.240 nan 0.000 0.449 517 C N 2.649 122.074 119.300 0.208 0.000 3.090 517 C HA 0.828 5.288 4.460 -0.000 0.000 0.347 517 C C -2.082 173.005 174.990 0.162 0.000 1.147 517 C CA -0.718 58.331 59.018 0.052 0.000 1.305 517 C CB 0.399 28.222 27.740 0.137 0.000 1.692 517 C HN 0.699 nan 8.230 nan 0.000 0.506 518 F N 3.801 123.919 119.950 0.280 0.000 2.436 518 F HA 0.764 5.291 4.527 -0.000 0.000 0.340 518 F C 0.670 176.541 175.800 0.119 0.000 1.113 518 F CA -0.561 57.571 58.000 0.220 0.000 1.022 518 F CB 1.632 40.744 39.000 0.187 0.000 1.128 518 F HN 0.924 nan 8.300 nan 0.000 0.466 519 A N 3.555 126.536 122.820 0.269 0.000 2.374 519 A HA 0.901 5.221 4.320 -0.000 0.000 0.317 519 A C -1.868 175.753 177.584 0.062 0.000 1.094 519 A CA -0.638 51.367 52.037 -0.055 0.000 0.765 519 A CB 1.295 20.217 19.000 -0.130 0.000 1.268 519 A HN 0.821 nan 8.150 nan 0.000 0.438 520 Y N -0.829 119.249 120.300 -0.370 0.000 2.521 520 Y HA 0.551 5.101 4.550 -0.000 0.000 0.332 520 Y C -1.052 174.456 175.900 -0.653 0.000 1.121 520 Y CA -1.509 56.271 58.100 -0.533 0.000 1.037 520 Y CB 0.286 38.628 38.460 -0.197 0.000 1.330 520 Y HN 0.779 nan 8.280 nan 0.000 0.452 521 Y N 2.881 122.593 120.300 -0.979 0.000 2.811 521 Y HA 0.091 4.641 4.550 -0.000 0.000 0.334 521 Y C 0.677 176.505 175.900 -0.119 0.000 1.247 521 Y CA 0.294 58.095 58.100 -0.499 0.000 1.526 521 Y CB 0.523 38.817 38.460 -0.277 0.000 1.284 521 Y HN 0.844 nan 8.280 nan 0.000 0.586 522 D N 4.885 124.775 120.400 -0.851 0.000 2.541 522 D HA 0.035 4.675 4.640 -0.000 0.000 0.231 522 D C -1.378 174.752 176.300 -0.283 0.000 1.163 522 D CA 0.322 54.089 54.000 -0.387 0.000 1.077 522 D CB -0.625 39.903 40.800 -0.454 0.000 1.110 522 D HN 0.511 nan 8.370 nan 0.000 0.499 523 D N 2.133 122.555 120.400 0.036 0.000 2.686 523 D HA 0.094 4.734 4.640 -0.000 0.000 0.249 523 D C 0.295 176.694 176.300 0.165 0.000 1.260 523 D CA -0.515 53.593 54.000 0.181 0.000 0.910 523 D CB 1.440 42.491 40.800 0.419 0.000 1.323 523 D HN -0.027 nan 8.370 nan 0.000 0.561 524 D N 1.600 122.091 120.400 0.151 0.000 2.271 524 D HA -0.228 4.412 4.640 -0.000 0.000 0.207 524 D C 1.661 178.009 176.300 0.080 0.000 0.983 524 D CA 1.047 55.105 54.000 0.097 0.000 0.878 524 D CB -0.208 40.644 40.800 0.086 0.000 0.920 524 D HN 0.674 nan 8.370 nan 0.000 0.479 525 Y N 0.077 120.429 120.300 0.086 0.000 2.333 525 Y HA -0.107 4.442 4.550 -0.000 0.000 0.290 525 Y C 1.950 177.912 175.900 0.103 0.000 1.144 525 Y CA 0.806 58.951 58.100 0.075 0.000 1.228 525 Y CB -0.645 37.856 38.460 0.068 0.000 0.985 525 Y HN -0.026 nan 8.280 nan 0.000 0.542 526 I N 1.519 121.697 120.570 -0.652 0.000 2.090 526 I HA -0.172 3.998 4.170 -0.000 0.000 0.236 526 I C -0.302 175.712 176.117 -0.173 0.000 1.064 526 I CA 1.253 62.251 61.300 -0.504 0.000 1.324 526 I CB -1.725 36.036 38.000 -0.397 0.000 1.044 526 I HN 0.152 nan 8.210 nan 0.000 0.399 527 P HA -0.189 nan 4.420 nan 0.000 0.216 527 P C 0.953 178.263 177.300 0.017 0.000 1.150 527 P CA 1.679 64.634 63.100 -0.241 0.000 0.843 527 P CB -0.182 31.321 31.700 -0.328 0.000 0.787 528 D N -0.393 120.027 120.400 0.033 0.000 2.149 528 D HA -0.127 4.513 4.640 -0.000 0.000 0.198 528 D C 2.048 178.448 176.300 0.167 0.000 0.990 528 D CA 1.529 55.589 54.000 0.100 0.000 0.839 528 D CB -0.610 40.249 40.800 0.099 0.000 0.948 528 D HN 0.082 nan 8.370 nan 0.000 0.460 529 A N -0.192 122.748 122.820 0.200 0.000 1.933 529 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 529 A C 1.744 179.407 177.584 0.132 0.000 1.175 529 A CA 1.117 53.327 52.037 0.289 0.000 0.628 529 A CB -0.855 18.328 19.000 0.305 0.000 0.814 529 A HN 0.294 nan 8.150 nan 0.000 0.444 530 Y N -0.788 119.593 120.300 0.135 0.000 2.511 530 Y HA 0.323 4.873 4.550 -0.000 0.000 0.279 530 Y C 1.801 177.816 175.900 0.192 0.000 1.157 530 Y CA 0.238 58.429 58.100 0.151 0.000 1.300 530 Y CB -0.100 38.423 38.460 0.106 0.000 1.052 530 Y HN 0.438 nan 8.280 nan 0.000 0.529 531 G N 1.824 110.777 108.800 0.255 0.000 2.273 531 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.280 531 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.280 531 G C 0.646 175.651 174.900 0.175 0.000 1.047 531 G CA 0.799 46.017 45.100 0.197 0.000 0.869 531 G HN 0.684 nan 8.290 nan 0.000 0.502 532 I N -3.570 117.087 120.570 0.145 0.000 4.147 532 I HA 0.473 4.643 4.170 -0.000 0.000 0.329 532 I C 1.860 178.009 176.117 0.053 0.000 1.424 532 I CA -0.349 61.029 61.300 0.131 0.000 1.127 532 I CB 0.011 38.080 38.000 0.114 0.000 1.128 532 I HN 0.088 nan 8.210 nan 0.000 0.417 533 L N 2.062 123.292 121.223 0.012 0.000 2.042 533 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 533 L C 1.932 178.790 176.870 -0.020 0.000 1.076 533 L CA 2.120 56.935 54.840 -0.041 0.000 0.749 533 L CB -0.698 41.352 42.059 -0.015 0.000 0.893 533 L HN 0.219 nan 8.230 nan 0.000 0.432 534 D N -1.332 119.094 120.400 0.044 0.000 2.104 534 D HA -0.255 4.385 4.640 -0.000 0.000 0.194 534 D C 1.728 178.097 176.300 0.114 0.000 0.994 534 D CA 1.519 55.556 54.000 0.062 0.000 0.830 534 D CB -0.448 40.395 40.800 0.072 0.000 0.959 534 D HN 0.594 nan 8.370 nan 0.000 0.452 535 W N 1.803 123.076 121.300 -0.045 0.000 2.380 535 W HA -0.163 4.497 4.660 -0.000 0.000 0.317 535 W C 2.089 178.558 176.519 -0.083 0.000 1.196 535 W CA 0.933 58.262 57.345 -0.027 0.000 1.307 535 W CB -0.838 28.617 29.460 -0.008 0.000 1.157 535 W HN -0.213 nan 8.180 nan 0.000 0.483 536 V N 2.306 121.971 119.914 -0.415 0.000 2.324 536 V HA -0.396 3.724 4.120 -0.000 0.000 0.250 536 V C 2.379 178.200 176.094 -0.454 0.000 1.060 536 V CA 2.382 64.280 62.300 -0.669 0.000 1.042 536 V CB -1.260 30.239 31.823 -0.539 0.000 0.650 536 V HN 0.237 nan 8.190 nan 0.000 0.450 537 N N 1.048 119.584 118.700 -0.273 0.000 2.094 537 N HA -0.147 4.593 4.740 -0.000 0.000 0.191 537 N C 1.791 177.201 175.510 -0.168 0.000 1.023 537 N CA 1.824 54.749 53.050 -0.208 0.000 0.857 537 N CB -0.716 37.707 38.487 -0.108 0.000 1.013 537 N HN 0.548 nan 8.380 nan 0.000 0.426 538 G N 0.022 108.756 108.800 -0.111 0.000 2.848 538 G HA2 0.080 4.040 3.960 -0.000 0.000 0.208 538 G HA3 0.080 4.040 3.960 -0.000 0.000 0.208 538 G C 0.562 175.402 174.900 -0.101 0.000 1.152 538 G CA -0.282 44.782 45.100 -0.061 0.000 0.789 538 G HN 0.208 nan 8.290 nan 0.000 0.531 539 I N 2.646 123.082 120.570 -0.223 0.000 2.556 539 I HA 0.125 4.295 4.170 -0.000 0.000 0.284 539 I C -1.657 174.364 176.117 -0.160 0.000 1.114 539 I CA -1.717 59.434 61.300 -0.248 0.000 1.418 539 I CB 1.120 38.876 38.000 -0.407 0.000 1.394 539 I HN -0.010 nan 8.210 nan 0.000 0.552 540 P HA 0.173 nan 4.420 nan 0.000 0.271 540 P C -0.465 176.910 177.300 0.126 0.000 1.218 540 P CA -0.046 63.061 63.100 0.011 0.000 0.780 540 P CB 0.776 32.497 31.700 0.035 0.000 0.901 541 I N 2.889 123.554 120.570 0.159 0.000 2.396 541 I HA 0.220 4.390 4.170 -0.000 0.000 0.289 541 I C 0.953 177.208 176.117 0.230 0.000 1.056 541 I CA 0.178 61.617 61.300 0.232 0.000 1.365 541 I CB 0.226 38.353 38.000 0.211 0.000 1.407 541 I HN 0.290 nan 8.210 nan 0.000 0.509 542 K N 5.859 126.423 120.400 0.274 0.000 2.588 542 K HA 0.611 4.931 4.320 -0.000 0.000 0.250 542 K C -1.170 175.495 176.600 0.110 0.000 0.972 542 K CA -0.526 55.831 56.287 0.116 0.000 0.821 542 K CB 1.712 34.160 32.500 -0.087 0.000 1.249 542 K HN 0.657 nan 8.250 nan 0.000 0.442 543 A N 2.753 125.488 122.820 -0.140 0.000 2.351 543 A HA 0.593 4.913 4.320 -0.000 0.000 0.257 543 A C -0.621 176.538 177.584 -0.708 0.000 1.087 543 A CA -0.361 51.313 52.037 -0.605 0.000 0.798 543 A CB 0.884 19.580 19.000 -0.508 0.000 1.033 543 A HN 0.410 nan 8.150 nan 0.000 0.488 544 V N 0.690 119.857 119.914 -1.246 0.000 3.040 544 V HA 0.528 4.648 4.120 -0.000 0.000 0.312 544 V C 0.797 176.393 176.094 -0.829 0.000 1.115 544 V CA -0.022 61.775 62.300 -0.839 0.000 0.998 544 V CB 2.310 33.626 31.823 -0.845 0.000 1.042 544 V HN 1.233 nan 8.190 nan 0.000 0.433 548 T N 2.883 117.174 114.554 -0.438 0.000 2.720 548 T HA -0.027 4.323 4.350 -0.000 0.000 0.268 548 T C 1.842 176.429 174.700 -0.188 0.000 1.037 548 T CA 1.528 63.474 62.100 -0.256 0.000 1.144 548 T CB -0.333 68.411 68.868 -0.207 0.000 0.864 548 T HN 0.073 nan 8.240 nan 0.000 0.444 549 L N 1.220 122.239 121.223 -0.340 0.000 1.976 549 L HA -0.118 4.222 4.340 -0.000 0.000 0.209 549 L C 2.265 179.099 176.870 -0.059 0.000 1.071 549 L CA 1.813 56.465 54.840 -0.314 0.000 0.746 549 L CB -0.770 41.014 42.059 -0.458 0.000 0.890 549 L HN 0.555 nan 8.230 nan 0.000 0.432 550 Y N -2.004 118.268 120.300 -0.047 0.000 2.516 550 Y HA 0.054 4.604 4.550 -0.000 0.000 0.291 550 Y C 2.130 178.049 175.900 0.031 0.000 1.131 550 Y CA 0.590 58.688 58.100 -0.004 0.000 1.281 550 Y CB -1.278 37.168 38.460 -0.023 0.000 1.013 550 Y HN 0.311 nan 8.280 nan 0.000 0.554 551 Q N 0.418 120.280 119.800 0.104 0.000 2.269 551 Q HA 0.103 4.443 4.340 -0.000 0.000 0.201 551 Q C 1.484 177.534 176.000 0.083 0.000 0.946 551 Q CA 0.898 56.775 55.803 0.123 0.000 0.877 551 Q CB 0.137 28.888 28.738 0.021 0.000 0.963 551 Q HN 0.537 nan 8.270 nan 0.000 0.472 552 R N -1.433 119.127 120.500 0.100 0.000 2.509 552 R HA 0.195 4.535 4.340 -0.000 0.000 0.297 552 R C -0.645 175.587 176.300 -0.113 0.000 0.951 552 R CA -0.047 56.058 56.100 0.008 0.000 1.103 552 R CB 0.973 31.259 30.300 -0.024 0.000 1.283 552 R HN 0.033 nan 8.270 nan 0.000 0.534 553 Y N 0.348 120.651 120.300 0.003 0.000 2.536 553 Y HA 0.370 4.920 4.550 -0.000 0.000 0.347 553 Y C -0.018 175.894 175.900 0.019 0.000 1.000 553 Y CA -1.243 56.869 58.100 0.020 0.000 1.051 553 Y CB 1.264 39.723 38.460 -0.001 0.000 1.259 553 Y HN -0.425 nan 8.280 nan 0.000 0.468 554 K N 3.279 123.780 120.400 0.169 0.000 2.253 554 K HA 0.459 4.779 4.320 -0.000 0.000 0.277 554 K C -0.996 175.536 176.600 -0.114 0.000 1.053 554 K CA -0.164 56.126 56.287 0.005 0.000 0.892 554 K CB 0.997 33.559 32.500 0.104 0.000 1.102 554 K HN 0.607 nan 8.250 nan 0.000 0.469 555 I N 3.871 124.272 120.570 -0.282 0.000 2.377 555 I HA 0.277 4.447 4.170 -0.000 0.000 0.293 555 I C -0.729 175.100 176.117 -0.480 0.000 0.987 555 I CA -0.912 60.283 61.300 -0.175 0.000 1.185 555 I CB 0.704 38.715 38.000 0.018 0.000 1.341 555 I HN 0.381 nan 8.210 nan 0.000 0.455 556 Y N 3.366 123.744 120.300 0.129 0.000 2.391 556 Y HA 0.596 5.146 4.550 -0.000 0.000 0.341 556 Y C 0.629 176.509 175.900 -0.032 0.000 0.965 556 Y CA -1.013 57.086 58.100 -0.002 0.000 1.067 556 Y CB 2.040 40.572 38.460 0.120 0.000 1.199 556 Y HN 0.566 nan 8.280 nan 0.000 0.450 557 G N 3.688 112.317 108.800 -0.286 0.000 2.353 557 G HA2 0.534 4.494 3.960 -0.000 0.000 0.284 557 G HA3 0.534 4.494 3.960 -0.000 0.000 0.284 557 G C -0.437 174.506 174.900 0.072 0.000 1.172 557 G CA -0.503 44.409 45.100 -0.314 0.000 0.854 557 G HN 0.556 nan 8.290 nan 0.000 0.485 558 L N 0.000 121.390 121.223 0.278 0.000 2.949 558 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 558 L CA 0.000 54.947 54.840 0.178 0.000 0.813 558 L CB 0.000 41.865 42.059 -0.323 0.000 0.961 558 L HN 0.000 nan 8.230 nan 0.000 0.502