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 3nvq_1_F DATA FIRST_RESID 35 DATA SEQUENCE ADEPVWRSEQ AIGAIAASQE DGVFVASGSc LDQLDYSLEH SLSRLYRDQA DATA SEQUENCE GNcTEPVSLA PPARPRPGSS FSKLLLPYRE GAAGLGGLLL TGWTFDRGAC DATA SEQUENCE EVRPLGNLSR NSLRNGTEVV ScHPQGSTAG VVYRAGRNNR WYLAVAATYV DATA SEQUENCE LPEPETASRc NPAASDHDTA IALKDTEGRS LATQELGRLK LcEGAGSLHF DATA SEQUENCE VDAFLWNGSI YFPYYPYNYT SGAATGWPSM ARIAQSTEVL FQGQASLDcG DATA SEQUENCE HGHPDGRRLL LSSSLVEALD VWAGVFSAAA GEGQERRSPT TTALcLFRMS DATA SEQUENCE EIQARAKRVS WDFKTAESHc KEGDQPERVQ PIASSTLIHS DLTSVYGTVV DATA SEQUENCE MNRTVLFLGT GDGQLLKVIL GENLTSNCPE VIYEIKEETP VFYKLVPDPV DATA SEQUENCE KNIYIYLTAG KEVRRIRVAN cNKHKScSEc LTATDPHcGW cHSLQRcTFQ DATA SEQUENCE GDcVHSENLE NWLDISSGAK KcPG 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 35 A HA 0.000 nan 4.320 nan 0.000 0.244 35 A C 0.000 177.667 177.584 0.139 0.000 1.274 35 A CA 0.000 52.145 52.037 0.179 0.000 0.836 35 A CB 0.000 19.134 19.000 0.223 0.000 0.831 36 D N -0.283 120.172 120.400 0.091 0.000 2.392 36 D HA 0.601 5.242 4.640 0.001 0.000 0.246 36 D C -0.119 176.198 176.300 0.027 0.000 1.013 36 D CA 0.143 54.178 54.000 0.058 0.000 0.993 36 D CB 1.005 41.873 40.800 0.113 0.000 1.219 36 D HN 0.220 nan 8.370 nan 0.000 0.538 37 E N -0.861 119.347 120.200 0.013 0.000 2.553 37 E HA -0.126 4.224 4.350 0.001 0.000 0.264 37 E C -1.971 174.625 176.600 -0.007 0.000 1.068 37 E CA 0.147 56.561 56.400 0.023 0.000 0.774 37 E CB -0.608 29.129 29.700 0.061 0.000 1.349 37 E HN 0.295 nan 8.360 nan 0.000 0.404 38 P HA 0.130 nan 4.420 nan 0.000 0.241 38 P C 0.153 177.448 177.300 -0.007 0.000 1.783 38 P CA -0.103 62.970 63.100 -0.045 0.000 1.052 38 P CB 0.342 31.980 31.700 -0.102 0.000 1.594 39 V N 1.011 120.930 119.914 0.009 0.000 2.720 39 V HA 0.026 4.146 4.120 0.001 0.000 0.307 39 V C -0.459 175.695 176.094 0.100 0.000 1.071 39 V CA 0.210 62.537 62.300 0.046 0.000 1.199 39 V CB 0.036 31.877 31.823 0.030 0.000 0.900 39 V HN 0.316 nan 8.190 nan 0.000 0.494 40 W N 7.728 128.994 121.300 -0.056 0.000 2.573 40 W HA 0.655 5.316 4.660 0.001 0.000 0.326 40 W C -0.083 176.410 176.519 -0.043 0.000 1.049 40 W CA -0.909 56.400 57.345 -0.059 0.000 1.220 40 W CB 1.157 30.568 29.460 -0.081 0.000 1.373 40 W HN 0.526 nan 8.180 nan 0.000 0.507 41 R N 3.226 123.245 120.500 -0.801 0.000 2.778 41 R HA 0.669 5.009 4.340 0.001 0.000 0.277 41 R C -0.982 174.643 176.300 -1.126 0.000 0.977 41 R CA -0.965 54.732 56.100 -0.672 0.000 0.950 41 R CB 2.214 32.278 30.300 -0.393 0.000 1.165 41 R HN 0.390 nan 8.270 nan 0.000 0.474 42 S N 0.228 115.576 115.700 -0.586 0.000 2.536 42 S HA 0.104 4.575 4.470 0.001 0.000 0.287 42 S C 0.598 175.095 174.600 -0.171 0.000 1.101 42 S CA -0.778 57.172 58.200 -0.417 0.000 0.950 42 S CB 1.316 64.456 63.200 -0.100 0.000 1.056 42 S HN 0.708 nan 8.310 nan 0.000 0.481 43 E N 2.610 122.746 120.200 -0.107 0.000 2.347 43 E HA -0.035 4.316 4.350 0.001 0.000 0.196 43 E C -0.192 176.417 176.600 0.014 0.000 1.008 43 E CA 0.745 57.122 56.400 -0.039 0.000 0.852 43 E CB -0.180 29.510 29.700 -0.016 0.000 0.783 43 E HN 0.605 nan 8.360 nan 0.000 0.505 44 Q N 0.087 119.913 119.800 0.043 0.000 2.399 44 Q HA 0.645 4.986 4.340 0.001 0.000 0.276 44 Q C -0.826 175.228 176.000 0.088 0.000 1.098 44 Q CA -0.553 55.302 55.803 0.088 0.000 0.827 44 Q CB 1.779 30.599 28.738 0.136 0.000 1.386 44 Q HN 0.198 nan 8.270 nan 0.000 0.443 45 A N 1.295 124.176 122.820 0.101 0.000 2.466 45 A HA 0.318 4.639 4.320 0.001 0.000 0.238 45 A C -0.358 177.273 177.584 0.077 0.000 1.074 45 A CA -0.174 51.914 52.037 0.086 0.000 0.774 45 A CB -0.145 18.916 19.000 0.102 0.000 1.015 45 A HN 0.685 nan 8.150 nan 0.000 0.498 46 I N 2.065 122.637 120.570 0.003 0.000 2.352 46 I HA 0.241 4.411 4.170 0.001 0.000 0.290 46 I C 1.436 177.453 176.117 -0.168 0.000 1.036 46 I CA 0.231 61.475 61.300 -0.092 0.000 1.336 46 I CB 1.311 39.180 38.000 -0.219 0.000 1.407 46 I HN 0.788 nan 8.210 nan 0.000 0.497 47 G N 4.731 113.508 108.800 -0.037 0.000 2.887 47 G HA2 0.538 4.499 3.960 0.001 0.000 0.211 47 G HA3 0.538 4.499 3.960 0.001 0.000 0.211 47 G C 0.354 175.323 174.900 0.115 0.000 1.152 47 G CA 0.547 45.699 45.100 0.087 0.000 0.769 47 G HN 0.725 nan 8.290 nan 0.000 0.541 48 A N -0.699 122.076 122.820 -0.075 0.000 2.566 48 A HA 0.729 5.049 4.320 0.001 0.000 0.290 48 A C -1.952 175.562 177.584 -0.116 0.000 1.071 48 A CA -0.483 51.551 52.037 -0.006 0.000 0.658 48 A CB 1.057 20.068 19.000 0.017 0.000 1.285 48 A HN 0.707 nan 8.150 nan 0.000 0.427 49 I N -0.584 119.958 120.570 -0.046 0.000 2.741 49 I HA 0.641 4.811 4.170 0.001 0.000 0.288 49 I C -1.091 175.006 176.117 -0.034 0.000 1.482 49 I CA -0.196 61.055 61.300 -0.082 0.000 1.050 49 I CB 1.637 39.548 38.000 -0.149 0.000 1.388 49 I HN 1.551 nan 8.210 nan 0.000 0.428 50 A N 5.522 128.329 122.820 -0.021 0.000 2.449 50 A HA 0.954 5.274 4.320 0.001 0.000 0.302 50 A C -1.240 176.356 177.584 0.019 0.000 1.048 50 A CA -0.270 51.775 52.037 0.013 0.000 0.708 50 A CB 1.809 20.827 19.000 0.030 0.000 1.274 50 A HN 1.088 nan 8.150 nan 0.000 0.410 51 A N 1.115 123.941 122.820 0.009 0.000 2.303 51 A HA 0.723 5.044 4.320 0.001 0.000 0.320 51 A C 0.304 177.961 177.584 0.122 0.000 1.192 51 A CA -0.051 51.991 52.037 0.008 0.000 0.821 51 A CB 0.780 19.766 19.000 -0.023 0.000 1.188 51 A HN 1.532 nan 8.150 nan 0.000 0.492 52 S N 1.461 117.274 115.700 0.188 0.000 2.632 52 S HA 0.219 4.689 4.470 0.001 0.000 0.271 52 S C 0.986 175.736 174.600 0.250 0.000 1.260 52 S CA -0.199 58.130 58.200 0.216 0.000 1.010 52 S CB 0.881 64.246 63.200 0.276 0.000 0.965 52 S HN 0.743 nan 8.310 nan 0.000 0.534 53 Q N 1.138 121.043 119.800 0.174 0.000 2.033 53 Q HA 0.022 4.362 4.340 0.001 0.000 0.196 53 Q C 1.183 177.295 176.000 0.187 0.000 0.970 53 Q CA 1.347 57.231 55.803 0.135 0.000 0.828 53 Q CB -0.002 28.785 28.738 0.081 0.000 0.895 53 Q HN 0.781 nan 8.270 nan 0.000 0.440 54 E N -0.100 120.206 120.200 0.177 0.000 2.526 54 E HA 0.108 4.458 4.350 0.001 0.000 0.208 54 E C -0.690 176.008 176.600 0.162 0.000 0.997 54 E CA -0.023 56.481 56.400 0.173 0.000 0.961 54 E CB 0.735 30.486 29.700 0.085 0.000 1.030 54 E HN 0.273 nan 8.360 nan 0.000 0.483 55 D N -0.433 120.047 120.400 0.133 0.000 2.497 55 D HA 0.347 4.987 4.640 0.001 0.000 0.243 55 D C 0.489 176.558 176.300 -0.385 0.000 1.039 55 D CA -0.619 53.352 54.000 -0.048 0.000 1.052 55 D CB 1.131 41.977 40.800 0.075 0.000 1.344 55 D HN 0.023 nan 8.370 nan 0.000 0.553 56 G N -0.770 107.651 108.800 -0.632 0.000 2.492 56 G HA2 0.226 4.186 3.960 0.001 0.000 0.308 56 G HA3 0.226 4.186 3.960 0.001 0.000 0.308 56 G C -0.469 173.845 174.900 -0.978 0.000 1.323 56 G CA -0.211 44.286 45.100 -1.005 0.000 1.132 56 G HN 0.308 nan 8.290 nan 0.000 0.630 57 V N 0.390 119.720 119.914 -0.974 0.000 2.378 57 V HA 0.398 4.518 4.120 0.001 0.000 0.288 57 V C -0.836 174.775 176.094 -0.804 0.000 1.016 57 V CA -0.459 61.405 62.300 -0.726 0.000 0.840 57 V CB 0.949 32.339 31.823 -0.722 0.000 0.994 57 V HN 0.411 nan 8.190 nan 0.000 0.431 58 F N 4.276 124.037 119.950 -0.316 0.000 2.394 58 F HA 0.704 5.231 4.527 0.001 0.000 0.340 58 F C 0.193 175.831 175.800 -0.269 0.000 1.105 58 F CA -0.691 57.150 58.000 -0.267 0.000 1.124 58 F CB 1.795 40.689 39.000 -0.176 0.000 1.145 58 F HN 0.339 nan 8.300 nan 0.000 0.505 59 V N 2.128 121.967 119.914 -0.125 0.000 2.711 59 V HA 0.855 4.975 4.120 0.001 0.000 0.304 59 V C -1.310 174.755 176.094 -0.049 0.000 1.097 59 V CA -0.687 61.525 62.300 -0.146 0.000 0.906 59 V CB 1.373 33.026 31.823 -0.284 0.000 1.015 59 V HN 0.996 nan 8.190 nan 0.000 0.427 60 A N 4.692 127.516 122.820 0.006 0.000 2.274 60 A HA 0.801 5.121 4.320 0.001 0.000 0.309 60 A C 0.625 178.283 177.584 0.122 0.000 1.226 60 A CA 0.193 52.292 52.037 0.104 0.000 0.853 60 A CB 1.255 20.323 19.000 0.113 0.000 1.146 60 A HN 1.184 nan 8.150 nan 0.000 0.518 61 S N 2.146 117.954 115.700 0.180 0.000 2.500 61 S HA 0.310 4.781 4.470 0.001 0.000 0.174 61 S C 1.625 176.371 174.600 0.243 0.000 0.857 61 S CA 0.639 58.952 58.200 0.188 0.000 0.905 61 S CB -0.506 62.813 63.200 0.198 0.000 0.819 61 S HN 0.913 nan 8.310 nan 0.000 0.557 62 G N 1.207 110.159 108.800 0.253 0.000 2.766 62 G HA2 0.184 4.145 3.960 0.001 0.000 0.206 62 G HA3 0.184 4.145 3.960 0.001 0.000 0.206 62 G C 0.765 175.887 174.900 0.368 0.000 2.072 62 G CA 0.522 45.813 45.100 0.319 0.000 0.798 62 G HN 0.591 nan 8.290 nan 0.000 0.703 63 S N -0.999 114.833 115.700 0.221 0.000 2.573 63 S HA 0.438 4.908 4.470 0.001 0.000 0.244 63 S C 0.105 174.790 174.600 0.143 0.000 0.984 63 S CA -0.701 57.637 58.200 0.231 0.000 1.001 63 S CB -0.771 62.421 63.200 -0.014 0.000 0.788 63 S HN 0.361 nan 8.310 nan 0.000 0.456 64 c N 0.617 119.328 118.600 0.185 0.000 2.848 64 c HA 0.861 5.431 4.570 0.001 0.000 0.317 64 c C -0.693 173.509 174.090 0.186 0.000 1.260 64 c CA -0.976 55.391 56.329 0.063 0.000 1.656 64 c CB 1.516 43.954 42.510 -0.120 0.000 2.174 64 c HN 0.636 nan 8.230 nan 0.000 0.479 65 L N 1.995 123.289 121.223 0.118 0.000 2.438 65 L HA 0.604 4.944 4.340 0.001 0.000 0.270 65 L C -1.262 175.635 176.870 0.045 0.000 0.972 65 L CA 0.310 55.244 54.840 0.156 0.000 0.831 65 L CB 1.429 43.660 42.059 0.286 0.000 1.273 65 L HN 0.628 nan 8.230 nan 0.000 0.405 66 D N 3.101 123.487 120.400 -0.023 0.000 2.248 66 D HA 0.262 4.902 4.640 0.001 0.000 0.246 66 D C -1.214 174.930 176.300 -0.259 0.000 1.027 66 D CA -0.171 53.745 54.000 -0.141 0.000 0.853 66 D CB 2.289 42.949 40.800 -0.235 0.000 1.243 66 D HN 0.571 nan 8.370 nan 0.000 0.462 67 Q N 3.123 122.731 119.800 -0.320 0.000 2.400 67 Q HA 0.361 4.702 4.340 0.001 0.000 0.255 67 Q C -1.073 174.568 176.000 -0.599 0.000 1.008 67 Q CA -0.526 54.885 55.803 -0.654 0.000 0.841 67 Q CB 0.551 29.013 28.738 -0.461 0.000 1.220 67 Q HN 0.403 nan 8.270 nan 0.000 0.474 68 L N 2.082 122.863 121.223 -0.737 0.000 2.360 68 L HA 0.413 4.754 4.340 0.001 0.000 0.271 68 L C 0.435 176.954 176.870 -0.586 0.000 1.057 68 L CA -0.968 53.492 54.840 -0.632 0.000 0.803 68 L CB 1.112 42.696 42.059 -0.792 0.000 1.207 68 L HN 0.605 nan 8.230 nan 0.000 0.445 69 D N 0.124 120.279 120.400 -0.409 0.000 2.382 69 D HA -0.051 4.590 4.640 0.001 0.000 0.240 69 D C 0.611 176.709 176.300 -0.337 0.000 1.146 69 D CA 0.190 53.981 54.000 -0.349 0.000 0.897 69 D CB 0.905 41.596 40.800 -0.181 0.000 1.197 69 D HN 0.307 nan 8.370 nan 0.000 0.432 70 Y N 0.765 120.964 120.300 -0.167 0.000 2.207 70 Y HA -0.222 4.328 4.550 0.001 0.000 0.287 70 Y C 2.555 178.413 175.900 -0.069 0.000 1.156 70 Y CA 1.549 59.587 58.100 -0.104 0.000 1.182 70 Y CB -0.552 37.884 38.460 -0.040 0.000 0.979 70 Y HN 0.353 nan 8.280 nan 0.000 0.521 71 S N -0.170 115.542 115.700 0.021 0.000 2.660 71 S HA 0.042 4.512 4.470 0.001 0.000 0.223 71 S C 0.859 175.400 174.600 -0.098 0.000 0.963 71 S CA 0.352 58.508 58.200 -0.073 0.000 0.932 71 S CB -0.988 62.156 63.200 -0.094 0.000 0.775 71 S HN 0.494 nan 8.310 nan 0.000 0.531 72 L N -0.408 120.746 121.223 -0.114 0.000 4.001 72 L HA -0.251 4.089 4.340 0.001 0.000 0.413 72 L C 1.356 178.179 176.870 -0.080 0.000 1.185 72 L CA 0.765 55.532 54.840 -0.122 0.000 0.963 72 L CB -2.085 39.967 42.059 -0.012 0.000 1.976 72 L HN 0.374 nan 8.230 nan 0.000 0.939 73 E N -0.334 119.731 120.200 -0.224 0.000 2.024 73 E HA 0.095 4.446 4.350 0.001 0.000 0.190 73 E C 0.688 177.084 176.600 -0.339 0.000 0.974 73 E CA 1.008 57.176 56.400 -0.387 0.000 0.810 73 E CB 0.166 29.384 29.700 -0.802 0.000 0.775 73 E HN 0.574 nan 8.360 nan 0.000 0.453 74 H N -0.363 118.702 119.070 -0.009 0.000 2.499 74 H HA 0.265 4.822 4.556 0.001 0.000 0.340 74 H C -0.408 174.880 175.328 -0.067 0.000 1.148 74 H CA -0.505 55.538 56.048 -0.009 0.000 1.215 74 H CB 1.618 31.361 29.762 -0.032 0.000 1.529 74 H HN -0.071 nan 8.280 nan 0.000 0.510 75 S N 3.527 119.299 115.700 0.120 0.000 3.170 75 S HA 0.169 4.639 4.470 0.001 0.000 0.257 75 S C 1.460 176.049 174.600 -0.019 0.000 1.284 75 S CA -0.701 57.505 58.200 0.011 0.000 0.973 75 S CB -0.960 62.321 63.200 0.136 0.000 1.330 75 S HN 0.500 nan 8.310 nan 0.000 0.493 76 L N 2.771 123.945 121.223 -0.082 0.000 1.957 76 L HA -0.086 4.254 4.340 0.001 0.000 0.228 76 L C 1.380 178.217 176.870 -0.056 0.000 1.086 76 L CA 1.202 55.995 54.840 -0.078 0.000 0.796 76 L CB -1.086 40.891 42.059 -0.137 0.000 0.900 76 L HN 0.711 nan 8.230 nan 0.000 0.439 77 S N -1.236 114.420 115.700 -0.073 0.000 2.568 77 S HA 0.669 5.140 4.470 0.001 0.000 0.293 77 S C -0.627 173.953 174.600 -0.032 0.000 1.089 77 S CA -0.936 57.248 58.200 -0.028 0.000 0.945 77 S CB 3.045 66.243 63.200 -0.004 0.000 1.077 77 S HN 0.262 nan 8.310 nan 0.000 0.485 78 R N 0.667 121.155 120.500 -0.019 0.000 2.686 78 R HA 0.697 5.038 4.340 0.001 0.000 0.286 78 R C -1.968 174.264 176.300 -0.114 0.000 0.969 78 R CA -0.950 55.096 56.100 -0.090 0.000 0.898 78 R CB 1.434 31.648 30.300 -0.142 0.000 1.183 78 R HN 0.687 nan 8.270 nan 0.000 0.456 79 L N 4.008 125.133 121.223 -0.164 0.000 2.325 79 L HA 0.434 4.775 4.340 0.001 0.000 0.281 79 L C -1.841 174.867 176.870 -0.270 0.000 1.004 79 L CA -0.377 54.395 54.840 -0.114 0.000 0.823 79 L CB 1.196 43.267 42.059 0.019 0.000 1.236 79 L HN 0.573 nan 8.230 nan 0.000 0.415 80 Y N 5.333 125.602 120.300 -0.050 0.000 2.434 80 Y HA 0.437 4.988 4.550 0.001 0.000 0.341 80 Y C 1.130 176.906 175.900 -0.206 0.000 0.965 80 Y CA -0.348 57.692 58.100 -0.101 0.000 1.205 80 Y CB 1.021 39.428 38.460 -0.089 0.000 1.121 80 Y HN 0.592 nan 8.280 nan 0.000 0.507 81 R N 1.349 121.717 120.500 -0.219 0.000 2.066 81 R HA -0.060 4.280 4.340 0.001 0.000 0.224 81 R C 0.943 176.920 176.300 -0.538 0.000 1.122 81 R CA 1.348 57.159 56.100 -0.480 0.000 0.974 81 R CB 0.050 29.834 30.300 -0.859 0.000 0.871 81 R HN 0.772 nan 8.270 nan 0.000 0.435 82 D N -0.182 119.856 120.400 -0.603 0.000 2.397 82 D HA -0.003 4.637 4.640 0.001 0.000 0.262 82 D C -0.077 176.008 176.300 -0.358 0.000 1.323 82 D CA 0.497 54.077 54.000 -0.700 0.000 0.999 82 D CB 0.025 40.247 40.800 -0.963 0.000 0.971 82 D HN -0.067 nan 8.370 nan 0.000 0.338 83 Q N -0.275 119.371 119.800 -0.256 0.000 2.443 83 Q HA 0.484 4.825 4.340 0.001 0.000 0.232 83 Q C 0.794 176.711 176.000 -0.138 0.000 1.026 83 Q CA 0.314 56.016 55.803 -0.168 0.000 0.924 83 Q CB 0.842 29.504 28.738 -0.127 0.000 1.256 83 Q HN 0.335 nan 8.270 nan 0.000 0.519 84 A N 0.643 123.362 122.820 -0.168 0.000 1.898 84 A HA -0.015 4.305 4.320 0.001 0.000 0.216 84 A C 1.554 178.851 177.584 -0.477 0.000 1.181 84 A CA 1.714 53.609 52.037 -0.236 0.000 0.620 84 A CB -0.624 18.259 19.000 -0.195 0.000 0.819 84 A HN 0.818 nan 8.150 nan 0.000 0.442 85 G N -1.763 106.804 108.800 -0.388 0.000 2.945 85 G HA2 0.207 4.168 3.960 0.001 0.000 0.225 85 G HA3 0.207 4.168 3.960 0.001 0.000 0.225 85 G C 0.004 174.805 174.900 -0.165 0.000 1.046 85 G CA -0.201 44.591 45.100 -0.514 0.000 0.842 85 G HN 0.368 nan 8.290 nan 0.000 0.543 86 N N -0.223 118.447 118.700 -0.048 0.000 2.472 86 N HA 0.355 5.095 4.740 0.001 0.000 0.277 86 N C 0.403 175.993 175.510 0.133 0.000 1.081 86 N CA -0.216 52.859 53.050 0.043 0.000 0.973 86 N CB 1.598 40.077 38.487 -0.014 0.000 1.105 86 N HN -0.028 nan 8.380 nan 0.000 0.470 87 c N 0.360 119.047 118.600 0.145 0.000 3.183 87 c HA 0.209 4.779 4.570 0.001 0.000 0.285 87 c C 0.461 174.601 174.090 0.083 0.000 1.313 87 c CA -0.125 56.278 56.329 0.123 0.000 1.711 87 c CB -0.841 41.743 42.510 0.124 0.000 2.135 87 c HN 0.642 nan 8.230 nan 0.000 0.651 88 T N 2.544 117.135 114.554 0.062 0.000 2.946 88 T HA 0.019 4.370 4.350 0.001 0.000 0.311 88 T C 0.147 174.867 174.700 0.033 0.000 1.063 88 T CA 0.523 62.657 62.100 0.057 0.000 1.139 88 T CB 0.269 69.162 68.868 0.042 0.000 0.994 88 T HN 0.486 nan 8.240 nan 0.000 0.547 89 E N 4.146 124.400 120.200 0.091 0.000 2.383 89 E HA 0.011 4.361 4.350 0.001 0.000 0.257 89 E C -1.506 175.116 176.600 0.036 0.000 1.079 89 E CA -1.332 55.129 56.400 0.102 0.000 0.934 89 E CB 0.329 30.247 29.700 0.364 0.000 0.978 89 E HN 0.417 nan 8.360 nan 0.000 0.462 90 P HA -0.142 nan 4.420 nan 0.000 0.218 90 P C -0.226 177.134 177.300 0.099 0.000 1.146 90 P CA 0.979 64.061 63.100 -0.031 0.000 0.813 90 P CB 0.339 31.986 31.700 -0.088 0.000 0.778 91 V N -1.602 118.457 119.914 0.242 0.000 2.789 91 V HA 0.256 4.376 4.120 0.001 0.000 0.311 91 V C -0.070 176.215 176.094 0.319 0.000 1.073 91 V CA -0.753 61.720 62.300 0.287 0.000 0.921 91 V CB 2.220 34.246 31.823 0.339 0.000 1.009 91 V HN -0.252 nan 8.190 nan 0.000 0.426 92 S N 5.380 121.201 115.700 0.202 0.000 2.474 92 S HA 0.522 4.992 4.470 0.001 0.000 0.276 92 S C -0.458 174.223 174.600 0.136 0.000 1.227 92 S CA -0.498 57.801 58.200 0.166 0.000 1.050 92 S CB 0.248 63.519 63.200 0.117 0.000 0.939 92 S HN 0.398 nan 8.310 nan 0.000 0.490 93 L N 2.864 124.159 121.223 0.120 0.000 2.282 93 L HA 0.565 4.905 4.340 0.001 0.000 0.288 93 L C 0.408 177.319 176.870 0.068 0.000 1.033 93 L CA -0.620 54.258 54.840 0.064 0.000 0.807 93 L CB 0.326 42.386 42.059 0.000 0.000 1.209 93 L HN 0.681 nan 8.230 nan 0.000 0.423 94 A N 5.572 128.430 122.820 0.062 0.000 2.341 94 A HA 0.655 4.975 4.320 0.001 0.000 0.326 94 A C -2.071 175.550 177.584 0.061 0.000 1.402 94 A CA -1.189 50.885 52.037 0.063 0.000 0.957 94 A CB -0.309 18.727 19.000 0.061 0.000 1.151 94 A HN 0.558 nan 8.150 nan 0.000 0.533 95 P HA 0.204 nan 4.420 nan 0.000 0.260 95 P C -1.938 175.398 177.300 0.060 0.000 1.207 95 P CA -0.208 62.930 63.100 0.064 0.000 0.780 95 P CB 0.242 31.984 31.700 0.070 0.000 0.789 96 P HA 0.212 nan 4.420 nan 0.000 0.333 96 P C -0.401 176.929 177.300 0.051 0.000 1.343 96 P CA -0.533 62.603 63.100 0.060 0.000 0.761 96 P CB 0.199 31.944 31.700 0.075 0.000 1.701 97 A N -0.516 122.333 122.820 0.048 0.000 2.466 97 A HA 0.046 4.366 4.320 0.001 0.000 0.238 97 A C 1.510 179.111 177.584 0.028 0.000 1.074 97 A CA 0.090 52.150 52.037 0.038 0.000 0.774 97 A CB -0.193 18.829 19.000 0.036 0.000 1.015 97 A HN 0.356 nan 8.150 nan 0.000 0.498 98 R N 1.188 121.703 120.500 0.026 0.000 2.094 98 R HA -0.119 4.222 4.340 0.001 0.000 0.239 98 R C -0.585 175.708 176.300 -0.010 0.000 1.137 98 R CA 2.673 58.783 56.100 0.018 0.000 0.943 98 R CB -1.251 29.064 30.300 0.024 0.000 0.850 98 R HN 0.758 nan 8.270 nan 0.000 0.433 99 P HA -0.183 nan 4.420 nan 0.000 0.216 99 P C -0.456 176.797 177.300 -0.078 0.000 1.153 99 P CA 1.269 64.337 63.100 -0.053 0.000 0.858 99 P CB -0.041 31.634 31.700 -0.042 0.000 0.789 100 R N 1.637 122.118 120.500 -0.031 0.000 2.538 100 R HA 0.130 4.471 4.340 0.001 0.000 0.282 100 R C -1.748 174.482 176.300 -0.117 0.000 1.009 100 R CA -1.216 54.860 56.100 -0.040 0.000 1.063 100 R CB -0.591 29.747 30.300 0.062 0.000 0.945 100 R HN 0.284 nan 8.270 nan 0.000 0.414 101 P HA 0.021 nan 4.420 nan 0.000 0.272 101 P C -0.142 177.114 177.300 -0.073 0.000 1.223 101 P CA -0.137 62.813 63.100 -0.251 0.000 0.784 101 P CB 0.903 32.288 31.700 -0.525 0.000 0.923 102 G N 1.152 109.939 108.800 -0.023 0.000 2.557 102 G HA2 0.457 4.417 3.960 0.001 0.000 0.302 102 G HA3 0.457 4.417 3.960 0.001 0.000 0.302 102 G C -0.562 174.367 174.900 0.048 0.000 1.311 102 G CA -0.504 44.619 45.100 0.038 0.000 1.030 102 G HN 0.507 nan 8.290 nan 0.000 0.509 103 S N -1.444 114.270 115.700 0.024 0.000 2.690 103 S HA 0.789 5.260 4.470 0.001 0.000 0.291 103 S C -0.139 174.405 174.600 -0.094 0.000 1.138 103 S CA -0.450 57.721 58.200 -0.048 0.000 1.013 103 S CB 1.629 64.772 63.200 -0.095 0.000 1.053 103 S HN 0.866 nan 8.310 nan 0.000 0.539 104 S N -0.694 114.872 115.700 -0.223 0.000 2.578 104 S HA 0.517 4.987 4.470 0.001 0.000 0.272 104 S C -1.041 173.326 174.600 -0.389 0.000 1.145 104 S CA -0.560 57.504 58.200 -0.227 0.000 0.835 104 S CB 0.181 63.382 63.200 0.001 0.000 1.104 104 S HN 0.453 nan 8.310 nan 0.000 0.458 105 F N 1.930 121.902 119.950 0.037 0.000 2.582 105 F HA 0.274 4.802 4.527 0.001 0.000 0.290 105 F C 1.607 177.390 175.800 -0.027 0.000 1.115 105 F CA 0.363 58.334 58.000 -0.049 0.000 1.445 105 F CB -0.007 39.000 39.000 0.011 0.000 1.126 105 F HN 0.542 nan 8.300 nan 0.000 0.574 106 S N 0.364 116.112 115.700 0.079 0.000 2.586 106 S HA 0.393 4.863 4.470 0.001 0.000 0.274 106 S C 0.578 175.046 174.600 -0.220 0.000 1.281 106 S CA -0.642 57.363 58.200 -0.325 0.000 1.035 106 S CB 1.947 64.981 63.200 -0.277 0.000 0.962 106 S HN 0.042 nan 8.310 nan 0.000 0.512 107 K N 0.197 120.414 120.400 -0.305 0.000 2.511 107 K HA 0.402 4.723 4.320 0.001 0.000 0.209 107 K C -0.884 175.634 176.600 -0.137 0.000 1.301 107 K CA 0.062 56.255 56.287 -0.156 0.000 0.967 107 K CB 0.233 32.655 32.500 -0.130 0.000 1.109 107 K HN 0.549 nan 8.250 nan 0.000 0.561 108 L N 0.844 121.927 121.223 -0.233 0.000 2.482 108 L HA 0.437 4.778 4.340 0.001 0.000 0.263 108 L C -1.897 174.836 176.870 -0.228 0.000 0.957 108 L CA -0.630 54.113 54.840 -0.161 0.000 0.836 108 L CB 2.184 44.178 42.059 -0.109 0.000 1.324 108 L HN -0.101 nan 8.230 nan 0.000 0.406 109 L N 5.476 126.618 121.223 -0.135 0.000 2.534 109 L HA 0.567 4.908 4.340 0.001 0.000 0.259 109 L C -1.889 174.936 176.870 -0.074 0.000 1.108 109 L CA 0.086 54.840 54.840 -0.143 0.000 0.905 109 L CB 0.963 42.947 42.059 -0.125 0.000 1.138 109 L HN 0.416 nan 8.230 nan 0.000 0.475 110 L N 6.079 127.269 121.223 -0.054 0.000 2.345 110 L HA 0.618 4.958 4.340 0.001 0.000 0.274 110 L C -2.321 174.587 176.870 0.063 0.000 0.999 110 L CA -1.486 53.362 54.840 0.013 0.000 0.849 110 L CB 1.753 43.831 42.059 0.032 0.000 1.220 110 L HN 0.320 nan 8.230 nan 0.000 0.422 111 P HA 0.337 nan 4.420 nan 0.000 0.277 111 P C -1.544 175.832 177.300 0.126 0.000 1.240 111 P CA -0.154 62.936 63.100 -0.017 0.000 0.798 111 P CB 1.307 32.967 31.700 -0.066 0.000 0.979 112 Y N -1.816 118.366 120.300 -0.197 0.000 2.779 112 Y HA 0.514 5.065 4.550 0.001 0.000 0.340 112 Y C 0.214 175.846 175.900 -0.447 0.000 1.252 112 Y CA -1.413 56.525 58.100 -0.271 0.000 1.072 112 Y CB 0.513 38.783 38.460 -0.316 0.000 1.343 112 Y HN 0.362 nan 8.280 nan 0.000 0.450 113 R N 1.237 121.422 120.500 -0.525 0.000 3.336 113 R HA -0.184 4.156 4.340 0.001 0.000 0.260 113 R C -0.182 175.954 176.300 -0.274 0.000 1.032 113 R CA 1.158 56.919 56.100 -0.566 0.000 0.693 113 R CB -1.212 28.464 30.300 -1.040 0.000 1.134 113 R HN 1.128 nan 8.270 nan 0.000 0.433 114 E N -1.027 119.107 120.200 -0.111 0.000 2.024 114 E HA -0.012 4.339 4.350 0.001 0.000 0.190 114 E C 1.187 177.784 176.600 -0.006 0.000 0.974 114 E CA 0.996 57.361 56.400 -0.058 0.000 0.810 114 E CB -0.065 29.631 29.700 -0.005 0.000 0.775 114 E HN 0.460 nan 8.360 nan 0.000 0.453 115 G N 0.394 109.219 108.800 0.041 0.000 3.008 115 G HA2 0.255 4.215 3.960 0.001 0.000 0.272 115 G HA3 0.255 4.215 3.960 0.001 0.000 0.272 115 G C 0.412 175.346 174.900 0.056 0.000 0.764 115 G CA 0.469 45.599 45.100 0.049 0.000 2.029 115 G HN 0.222 nan 8.290 nan 0.000 0.587 116 A N 1.836 124.674 122.820 0.031 0.000 1.993 116 A HA 0.721 5.042 4.320 0.001 0.000 0.207 116 A C 1.654 179.255 177.584 0.028 0.000 1.224 116 A CA 1.168 53.228 52.037 0.038 0.000 0.749 116 A CB -0.162 18.845 19.000 0.011 0.000 0.884 116 A HN 2.242 nan 8.150 nan 0.000 0.467 117 A N -1.897 120.932 122.820 0.015 0.000 1.888 117 A HA 0.400 4.721 4.320 0.001 0.000 0.243 117 A C 1.545 179.135 177.584 0.009 0.000 1.351 117 A CA 1.414 53.458 52.037 0.013 0.000 0.702 117 A CB -1.405 17.607 19.000 0.019 0.000 1.185 117 A HN 2.593 nan 8.150 nan 0.000 0.265 118 G N 0.202 109.002 108.800 0.000 0.000 2.981 118 G HA2 -0.025 3.936 3.960 0.001 0.000 0.198 118 G HA3 -0.025 3.936 3.960 0.001 0.000 0.198 118 G C 0.179 175.071 174.900 -0.013 0.000 1.806 118 G CA -0.157 44.941 45.100 -0.002 0.000 1.374 118 G HN 1.576 nan 8.290 nan 0.000 0.555 119 L N 2.699 123.913 121.223 -0.016 0.000 2.290 119 L HA 0.589 4.929 4.340 0.001 0.000 0.284 119 L C 1.577 178.409 176.870 -0.063 0.000 1.078 119 L CA -0.197 54.621 54.840 -0.037 0.000 0.815 119 L CB 1.162 43.202 42.059 -0.032 0.000 1.162 119 L HN 0.525 nan 8.230 nan 0.000 0.435 120 G N 1.993 110.745 108.800 -0.080 0.000 2.716 120 G HA2 0.351 4.311 3.960 0.001 0.000 0.251 120 G HA3 0.351 4.311 3.960 0.001 0.000 0.251 120 G C 0.306 175.108 174.900 -0.163 0.000 1.224 120 G CA -0.019 45.023 45.100 -0.098 0.000 0.891 120 G HN 0.743 nan 8.290 nan 0.000 0.561 121 G N -1.700 106.994 108.800 -0.177 0.000 2.547 121 G HA2 0.540 4.501 3.960 0.001 0.000 0.291 121 G HA3 0.540 4.501 3.960 0.001 0.000 0.291 121 G C -0.552 174.113 174.900 -0.392 0.000 1.211 121 G CA -0.681 44.251 45.100 -0.280 0.000 0.950 121 G HN 0.548 nan 8.290 nan 0.000 0.504 122 L N -0.877 119.959 121.223 -0.646 0.000 2.309 122 L HA 0.654 4.995 4.340 0.001 0.000 0.261 122 L C -1.115 175.386 176.870 -0.615 0.000 1.021 122 L CA -0.995 53.404 54.840 -0.735 0.000 0.823 122 L CB 2.376 43.730 42.059 -1.175 0.000 1.366 122 L HN 0.425 nan 8.230 nan 0.000 0.423 123 L N 1.879 122.896 121.223 -0.344 0.000 2.438 123 L HA 0.529 4.869 4.340 0.001 0.000 0.270 123 L C -1.461 175.401 176.870 -0.013 0.000 0.972 123 L CA -0.073 54.658 54.840 -0.181 0.000 0.831 123 L CB 1.786 43.637 42.059 -0.347 0.000 1.273 123 L HN 0.374 nan 8.230 nan 0.000 0.405 124 L N 4.447 125.715 121.223 0.075 0.000 2.265 124 L HA 0.580 4.921 4.340 0.001 0.000 0.288 124 L C -0.145 176.695 176.870 -0.050 0.000 1.058 124 L CA -0.387 54.484 54.840 0.051 0.000 0.809 124 L CB 1.475 43.557 42.059 0.038 0.000 1.179 124 L HN 0.766 nan 8.230 nan 0.000 0.429 125 T N -0.325 114.210 114.554 -0.032 0.000 2.864 125 T HA 0.640 4.991 4.350 0.001 0.000 0.299 125 T C -0.075 174.505 174.700 -0.201 0.000 1.011 125 T CA -0.673 61.314 62.100 -0.188 0.000 0.975 125 T CB 1.503 70.379 68.868 0.013 0.000 0.962 125 T HN 0.630 nan 8.240 nan 0.000 0.448 126 G N 2.439 110.987 108.800 -0.421 0.000 2.420 126 G HA2 0.663 4.624 3.960 0.001 0.000 0.331 126 G HA3 0.663 4.624 3.960 0.001 0.000 0.331 126 G C -1.192 173.456 174.900 -0.419 0.000 1.168 126 G CA -0.876 44.102 45.100 -0.202 0.000 0.936 126 G HN 0.649 nan 8.290 nan 0.000 0.479 127 W N -0.381 120.936 121.300 0.029 0.000 3.039 127 W HA 0.270 4.930 4.660 0.001 0.000 0.354 127 W C 1.148 177.600 176.519 -0.113 0.000 1.206 127 W CA -0.126 57.192 57.345 -0.046 0.000 1.134 127 W CB 1.638 31.110 29.460 0.021 0.000 1.493 127 W HN 0.672 nan 8.180 nan 0.000 0.591 128 T N -2.370 112.175 114.554 -0.015 0.000 3.067 128 T HA 0.074 4.424 4.350 0.001 0.000 0.257 128 T C 0.507 175.199 174.700 -0.013 0.000 1.105 128 T CA 0.372 62.428 62.100 -0.075 0.000 1.104 128 T CB -0.260 68.541 68.868 -0.112 0.000 0.925 128 T HN 0.033 nan 8.240 nan 0.000 0.498 129 F N 3.072 123.165 119.950 0.239 0.000 2.553 129 F HA 0.304 4.832 4.527 0.001 0.000 0.356 129 F C 0.786 176.639 175.800 0.088 0.000 1.142 129 F CA -0.780 57.289 58.000 0.116 0.000 1.322 129 F CB -0.194 38.818 39.000 0.019 0.000 1.126 129 F HN 0.154 nan 8.300 nan 0.000 0.599 130 D N 1.659 122.210 120.400 0.252 0.000 2.705 130 D HA -0.258 4.382 4.640 0.001 0.000 0.240 130 D C 0.222 176.589 176.300 0.112 0.000 1.137 130 D CA 0.683 54.770 54.000 0.144 0.000 0.677 130 D CB -0.975 39.900 40.800 0.126 0.000 1.049 130 D HN 0.769 nan 8.370 nan 0.000 0.427 131 R N -1.583 118.970 120.500 0.088 0.000 3.336 131 R HA -0.110 4.230 4.340 0.001 0.000 0.260 131 R C 0.967 177.300 176.300 0.053 0.000 1.032 131 R CA 0.893 57.020 56.100 0.046 0.000 0.693 131 R CB -2.235 28.088 30.300 0.038 0.000 1.134 131 R HN 0.845 nan 8.270 nan 0.000 0.433 132 G N -1.206 107.635 108.800 0.068 0.000 2.324 132 G HA2 -0.143 3.818 3.960 0.001 0.000 0.292 132 G HA3 -0.143 3.818 3.960 0.001 0.000 0.292 132 G C 0.222 175.197 174.900 0.126 0.000 1.079 132 G CA 0.102 45.252 45.100 0.083 0.000 1.026 132 G HN 0.848 nan 8.290 nan 0.000 0.506 133 A N -0.837 122.086 122.820 0.171 0.000 2.322 133 A HA 0.776 5.096 4.320 0.001 0.000 0.269 133 A C 0.719 178.443 177.584 0.234 0.000 1.094 133 A CA 0.302 52.449 52.037 0.183 0.000 0.807 133 A CB 1.330 20.442 19.000 0.186 0.000 1.047 133 A HN 2.020 nan 8.150 nan 0.000 0.487 134 C N 2.231 121.644 119.300 0.189 0.000 2.686 134 C HA 0.756 5.216 4.460 0.001 0.000 0.318 134 C C -1.145 173.946 174.990 0.168 0.000 1.160 134 C CA -0.599 58.530 59.018 0.185 0.000 1.396 134 C CB 1.068 28.870 27.740 0.103 0.000 1.924 134 C HN 0.948 nan 8.230 nan 0.000 0.471 135 E N 4.083 124.401 120.200 0.198 0.000 2.277 135 E HA 0.595 4.945 4.350 0.001 0.000 0.266 135 E C -1.329 175.338 176.600 0.110 0.000 0.901 135 E CA -0.630 55.857 56.400 0.145 0.000 0.782 135 E CB 1.725 31.517 29.700 0.153 0.000 1.228 135 E HN 0.438 nan 8.360 nan 0.000 0.424 136 V N 2.345 122.307 119.914 0.079 0.000 2.383 136 V HA 0.379 4.500 4.120 0.001 0.000 0.275 136 V C 0.210 176.314 176.094 0.017 0.000 1.036 136 V CA -0.411 61.927 62.300 0.062 0.000 0.889 136 V CB 0.365 32.226 31.823 0.064 0.000 0.985 136 V HN 0.502 nan 8.190 nan 0.000 0.459 137 R N 5.700 126.188 120.500 -0.020 0.000 2.854 137 R HA 0.556 4.896 4.340 0.001 0.000 0.271 137 R C -2.799 173.428 176.300 -0.123 0.000 0.996 137 R CA -2.041 54.028 56.100 -0.052 0.000 0.961 137 R CB 2.254 32.534 30.300 -0.033 0.000 1.182 137 R HN 0.404 nan 8.270 nan 0.000 0.479 138 P HA 0.040 nan 4.420 nan 0.000 0.280 138 P C -0.478 176.736 177.300 -0.143 0.000 1.244 138 P CA -0.142 62.879 63.100 -0.133 0.000 0.784 138 P CB 0.828 32.477 31.700 -0.084 0.000 0.913 139 L N 3.465 124.577 121.223 -0.184 0.000 2.515 139 L HA 0.320 4.660 4.340 0.001 0.000 0.281 139 L C 1.029 177.887 176.870 -0.020 0.000 1.131 139 L CA 1.052 55.792 54.840 -0.166 0.000 0.905 139 L CB -0.872 41.077 42.059 -0.183 0.000 1.246 139 L HN 0.805 nan 8.230 nan 0.000 0.463 140 G N 3.730 112.582 108.800 0.087 0.000 2.374 140 G HA2 -0.195 3.766 3.960 0.001 0.000 0.067 140 G HA3 -0.195 3.766 3.960 0.001 0.000 0.067 140 G C -0.576 174.401 174.900 0.128 0.000 1.023 140 G CA -0.676 44.506 45.100 0.137 0.000 1.131 140 G HN 0.479 nan 8.290 nan 0.000 0.436 141 N N 1.553 120.282 118.700 0.048 0.000 2.386 141 N HA 0.073 4.813 4.740 0.001 0.000 0.273 141 N C 1.120 176.658 175.510 0.048 0.000 1.331 141 N CA -0.047 53.023 53.050 0.034 0.000 0.891 141 N CB 0.884 39.376 38.487 0.009 0.000 1.139 141 N HN 0.298 nan 8.380 nan 0.000 0.487 142 L N 2.689 123.953 121.223 0.068 0.000 2.610 142 L HA 0.043 4.383 4.340 0.001 0.000 0.232 142 L C 1.841 178.736 176.870 0.043 0.000 1.149 142 L CA 0.848 55.729 54.840 0.069 0.000 0.872 142 L CB -0.403 41.710 42.059 0.089 0.000 0.992 142 L HN 0.471 nan 8.230 nan 0.000 0.447 143 S N -1.613 114.107 115.700 0.032 0.000 2.548 143 S HA 0.181 4.651 4.470 0.001 0.000 0.215 143 S C 1.065 175.675 174.600 0.016 0.000 0.976 143 S CA -0.197 58.020 58.200 0.029 0.000 0.908 143 S CB 0.143 63.359 63.200 0.025 0.000 0.781 143 S HN 0.324 nan 8.310 nan 0.000 0.519 144 R N 2.325 122.832 120.500 0.012 0.000 2.726 144 R HA 0.226 4.566 4.340 0.001 0.000 0.272 144 R C -0.140 176.161 176.300 0.001 0.000 1.097 144 R CA -0.093 56.008 56.100 0.001 0.000 1.198 144 R CB 0.184 30.480 30.300 -0.006 0.000 1.114 144 R HN 0.267 nan 8.270 nan 0.000 0.550 145 N N 0.173 118.870 118.700 -0.004 0.000 2.508 145 N HA 0.098 4.838 4.740 0.001 0.000 0.285 145 N C -0.427 175.081 175.510 -0.004 0.000 1.144 145 N CA -0.257 52.791 53.050 -0.004 0.000 0.978 145 N CB 1.445 39.928 38.487 -0.006 0.000 1.180 145 N HN 0.496 nan 8.380 nan 0.000 0.484 146 S N 0.389 116.091 115.700 0.003 0.000 2.585 146 S HA 0.255 4.726 4.470 0.001 0.000 0.273 146 S C 1.596 176.198 174.600 0.003 0.000 1.339 146 S CA -0.676 57.530 58.200 0.009 0.000 1.028 146 S CB 0.808 64.026 63.200 0.030 0.000 0.906 146 S HN 0.428 nan 8.310 nan 0.000 0.528 147 L N 0.521 121.743 121.223 -0.001 0.000 2.062 147 L HA 0.204 4.545 4.340 0.001 0.000 0.202 147 L C 1.427 178.303 176.870 0.009 0.000 1.079 147 L CA 0.860 55.698 54.840 -0.003 0.000 0.755 147 L CB -0.366 41.685 42.059 -0.013 0.000 0.913 147 L HN 0.588 nan 8.230 nan 0.000 0.445 148 R N -0.158 120.354 120.500 0.020 0.000 2.950 148 R HA 0.478 4.818 4.340 0.001 0.000 0.253 148 R C -1.217 175.109 176.300 0.043 0.000 1.168 148 R CA -0.594 55.523 56.100 0.029 0.000 1.014 148 R CB 1.723 32.041 30.300 0.030 0.000 1.228 148 R HN 0.296 nan 8.270 nan 0.000 0.487 149 N N -1.775 116.953 118.700 0.046 0.000 3.322 149 N HA 0.487 5.227 4.740 0.001 0.000 0.233 149 N C -1.660 173.883 175.510 0.056 0.000 1.399 149 N CA -0.888 52.199 53.050 0.062 0.000 0.894 149 N CB 1.683 40.210 38.487 0.067 0.000 1.440 149 N HN 0.705 nan 8.380 nan 0.000 0.503 150 G N -0.722 108.118 108.800 0.067 0.000 2.720 150 G HA2 0.596 4.556 3.960 0.001 0.000 0.295 150 G HA3 0.596 4.556 3.960 0.001 0.000 0.295 150 G C -0.927 174.013 174.900 0.066 0.000 1.437 150 G CA -0.247 44.886 45.100 0.055 0.000 0.886 150 G HN 0.950 nan 8.290 nan 0.000 0.509 151 T N -1.829 112.756 114.554 0.052 0.000 2.897 151 T HA 0.587 4.938 4.350 0.001 0.000 0.278 151 T C 0.479 175.202 174.700 0.039 0.000 0.981 151 T CA 0.229 62.364 62.100 0.058 0.000 0.973 151 T CB 1.319 70.216 68.868 0.049 0.000 1.092 151 T HN 0.870 nan 8.240 nan 0.000 0.543 152 E N -1.137 119.089 120.200 0.044 0.000 2.586 152 E HA -0.178 4.173 4.350 0.001 0.000 0.259 152 E C 0.724 177.341 176.600 0.028 0.000 1.107 152 E CA 0.351 56.759 56.400 0.015 0.000 0.754 152 E CB -1.819 27.845 29.700 -0.060 0.000 1.335 152 E HN 0.493 nan 8.360 nan 0.000 0.411 153 V N -0.793 119.183 119.914 0.102 0.000 2.599 153 V HA -0.017 4.103 4.120 0.001 0.000 0.245 153 V C 1.120 177.356 176.094 0.237 0.000 1.046 153 V CA 1.371 63.744 62.300 0.122 0.000 1.065 153 V CB 0.595 32.472 31.823 0.092 0.000 0.703 153 V HN 0.333 nan 8.190 nan 0.000 0.464 154 V N -3.119 116.922 119.914 0.211 0.000 3.155 154 V HA 0.676 4.796 4.120 0.001 0.000 0.313 154 V C -0.025 176.090 176.094 0.034 0.000 1.162 154 V CA -0.767 61.585 62.300 0.087 0.000 1.048 154 V CB 1.658 33.476 31.823 -0.009 0.000 1.092 154 V HN 0.059 nan 8.190 nan 0.000 0.447 155 S N -0.030 115.542 115.700 -0.213 0.000 2.549 155 S HA 0.079 4.549 4.470 0.001 0.000 0.286 155 S C 0.975 175.488 174.600 -0.144 0.000 1.314 155 S CA 0.040 58.112 58.200 -0.214 0.000 1.062 155 S CB 0.132 63.181 63.200 -0.251 0.000 0.865 155 S HN 1.835 nan 8.310 nan 0.000 0.498 156 c N 4.858 123.307 118.600 -0.253 0.000 2.754 156 c HA 0.460 5.030 4.570 0.001 0.000 0.276 156 c C 0.401 174.284 174.090 -0.345 0.000 1.264 156 c CA -0.851 55.319 56.329 -0.265 0.000 1.700 156 c CB -1.715 40.639 42.510 -0.260 0.000 1.885 156 c HN 0.792 nan 8.230 nan 0.000 0.607 157 H N 1.520 120.547 119.070 -0.072 0.000 2.519 157 H HA 0.261 4.818 4.556 0.001 0.000 0.316 157 H C -1.871 173.376 175.328 -0.135 0.000 1.065 157 H CA -1.942 54.045 56.048 -0.102 0.000 1.264 157 H CB 1.128 30.793 29.762 -0.162 0.000 1.413 157 H HN 0.038 nan 8.280 nan 0.000 0.465 158 P HA -0.244 nan 4.420 nan 0.000 0.218 158 P C 1.629 178.861 177.300 -0.113 0.000 1.154 158 P CA 1.805 64.803 63.100 -0.170 0.000 0.872 158 P CB 0.377 31.946 31.700 -0.218 0.000 0.790 159 Q N -0.770 118.997 119.800 -0.055 0.000 2.269 159 Q HA 0.057 4.397 4.340 0.001 0.000 0.201 159 Q C 1.194 177.171 176.000 -0.039 0.000 0.946 159 Q CA 0.708 56.508 55.803 -0.006 0.000 0.877 159 Q CB -0.903 27.852 28.738 0.028 0.000 0.963 159 Q HN 0.037 nan 8.270 nan 0.000 0.472 160 G N 2.457 111.155 108.800 -0.169 0.000 2.353 160 G HA2 0.165 4.126 3.960 0.001 0.000 0.239 160 G HA3 0.165 4.126 3.960 0.001 0.000 0.239 160 G C -0.021 174.790 174.900 -0.148 0.000 1.295 160 G CA 0.177 45.125 45.100 -0.255 0.000 0.884 160 G HN 0.421 nan 8.290 nan 0.000 0.537 161 S N 0.841 116.418 115.700 -0.205 0.000 2.600 161 S HA 0.692 5.163 4.470 0.001 0.000 0.265 161 S C 0.070 174.531 174.600 -0.232 0.000 1.325 161 S CA -0.233 57.753 58.200 -0.357 0.000 1.002 161 S CB 1.501 64.172 63.200 -0.882 0.000 0.921 161 S HN 0.748 nan 8.310 nan 0.000 0.554 162 T N 0.689 115.147 114.554 -0.160 0.000 3.225 162 T HA 0.676 5.027 4.350 0.001 0.000 0.356 162 T C -1.149 173.538 174.700 -0.020 0.000 1.460 162 T CA -0.255 61.766 62.100 -0.131 0.000 1.126 162 T CB 1.295 70.081 68.868 -0.137 0.000 1.321 162 T HN 1.349 nan 8.240 nan 0.000 0.478 163 A N 1.476 124.300 122.820 0.006 0.000 2.566 163 A HA 1.003 5.324 4.320 0.001 0.000 0.297 163 A C -0.411 177.243 177.584 0.118 0.000 1.059 163 A CA -0.294 51.806 52.037 0.106 0.000 0.691 163 A CB 1.811 20.932 19.000 0.202 0.000 1.282 163 A HN 1.350 nan 8.150 nan 0.000 0.401 164 G N -0.933 107.944 108.800 0.127 0.000 2.660 164 G HA2 0.768 4.728 3.960 0.001 0.000 0.290 164 G HA3 0.768 4.728 3.960 0.001 0.000 0.290 164 G C -1.780 173.194 174.900 0.123 0.000 1.432 164 G CA -0.013 45.175 45.100 0.147 0.000 0.807 164 G HN 1.995 nan 8.290 nan 0.000 0.485 165 V N -0.383 119.616 119.914 0.141 0.000 3.012 165 V HA 0.731 4.851 4.120 0.001 0.000 0.307 165 V C -1.071 175.154 176.094 0.218 0.000 1.166 165 V CA -0.584 61.803 62.300 0.145 0.000 0.974 165 V CB 2.099 33.983 31.823 0.103 0.000 1.040 165 V HN 0.810 nan 8.190 nan 0.000 0.428 166 V N 6.788 126.819 119.914 0.194 0.000 2.532 166 V HA 0.722 4.842 4.120 0.001 0.000 0.295 166 V C -0.504 175.809 176.094 0.365 0.000 1.041 166 V CA -0.118 62.294 62.300 0.186 0.000 0.926 166 V CB 1.211 33.005 31.823 -0.049 0.000 0.992 166 V HN 1.082 nan 8.190 nan 0.000 0.457 167 Y N 2.010 122.399 120.300 0.148 0.000 2.725 167 Y HA 0.812 5.362 4.550 0.001 0.000 0.333 167 Y C -0.854 175.016 175.900 -0.050 0.000 1.242 167 Y CA -1.685 56.455 58.100 0.066 0.000 1.059 167 Y CB 1.515 40.008 38.460 0.054 0.000 1.306 167 Y HN 0.412 nan 8.280 nan 0.000 0.454 168 R N 1.384 121.756 120.500 -0.213 0.000 2.534 168 R HA 0.908 5.249 4.340 0.001 0.000 0.301 168 R C -1.221 175.043 176.300 -0.061 0.000 0.961 168 R CA -0.886 54.976 56.100 -0.397 0.000 0.871 168 R CB 2.091 31.987 30.300 -0.674 0.000 1.170 168 R HN 0.960 nan 8.270 nan 0.000 0.446 169 A N 1.305 124.143 122.820 0.029 0.000 2.564 169 A HA 0.917 5.238 4.320 0.001 0.000 0.288 169 A C -0.348 177.322 177.584 0.143 0.000 1.164 169 A CA -0.387 51.736 52.037 0.142 0.000 0.712 169 A CB 1.686 20.831 19.000 0.241 0.000 1.303 169 A HN 0.907 nan 8.150 nan 0.000 0.418 170 G N -0.493 108.364 108.800 0.094 0.000 2.757 170 G HA2 -0.089 3.872 3.960 0.001 0.000 0.638 170 G HA3 -0.089 3.872 3.960 0.001 0.000 0.638 170 G C 0.576 175.493 174.900 0.028 0.000 1.344 170 G CA 0.462 45.607 45.100 0.074 0.000 0.855 170 G HN 1.177 nan 8.290 nan 0.000 0.537 171 R N 0.164 120.677 120.500 0.022 0.000 2.092 171 R HA -0.023 4.318 4.340 0.001 0.000 0.231 171 R C 2.385 178.681 176.300 -0.007 0.000 1.119 171 R CA 1.879 57.982 56.100 0.005 0.000 0.970 171 R CB -0.442 29.862 30.300 0.007 0.000 0.864 171 R HN 0.680 nan 8.270 nan 0.000 0.440 172 N N 0.358 119.054 118.700 -0.006 0.000 2.409 172 N HA -0.126 4.614 4.740 0.001 0.000 0.179 172 N C 0.040 175.511 175.510 -0.065 0.000 1.032 172 N CA 0.531 53.564 53.050 -0.027 0.000 0.898 172 N CB -0.019 38.453 38.487 -0.026 0.000 0.971 172 N HN 0.197 nan 8.380 nan 0.000 0.441 173 N N 0.892 119.550 118.700 -0.070 0.000 2.754 173 N HA -0.184 4.556 4.740 0.001 0.000 0.248 173 N C -0.838 174.504 175.510 -0.280 0.000 1.093 173 N CA 0.286 53.251 53.050 -0.143 0.000 0.699 173 N CB -0.821 37.583 38.487 -0.139 0.000 1.016 173 N HN 0.243 nan 8.380 nan 0.000 0.552 174 R N -0.904 119.435 120.500 -0.269 0.000 2.801 174 R HA 0.113 4.453 4.340 0.001 0.000 0.273 174 R C -0.171 175.751 176.300 -0.630 0.000 1.080 174 R CA 0.303 56.160 56.100 -0.406 0.000 1.197 174 R CB 0.286 30.293 30.300 -0.489 0.000 1.109 174 R HN 0.236 nan 8.270 nan 0.000 0.535 175 W N 1.055 122.094 121.300 -0.436 0.000 2.338 175 W HA 0.235 4.896 4.660 0.001 0.000 0.307 175 W C -0.596 175.544 176.519 -0.631 0.000 1.167 175 W CA 0.085 57.193 57.345 -0.396 0.000 1.208 175 W CB 0.476 29.853 29.460 -0.138 0.000 1.228 175 W HN 0.355 nan 8.180 nan 0.000 0.499 176 Y N 2.840 122.953 120.300 -0.312 0.000 2.562 176 Y HA 0.589 5.140 4.550 0.001 0.000 0.343 176 Y C -0.563 175.148 175.900 -0.315 0.000 1.025 176 Y CA -1.554 56.300 58.100 -0.411 0.000 1.082 176 Y CB 1.640 39.654 38.460 -0.743 0.000 1.264 176 Y HN 0.152 nan 8.280 nan 0.000 0.478 177 L N 2.276 123.565 121.223 0.110 0.000 2.349 177 L HA 0.901 5.241 4.340 0.001 0.000 0.278 177 L C -0.925 176.093 176.870 0.247 0.000 0.996 177 L CA -0.665 54.261 54.840 0.142 0.000 0.825 177 L CB 1.176 43.267 42.059 0.053 0.000 1.243 177 L HN 0.648 nan 8.230 nan 0.000 0.412 178 A N 5.696 128.722 122.820 0.343 0.000 2.253 178 A HA 0.721 5.042 4.320 0.001 0.000 0.316 178 A C -0.843 176.864 177.584 0.206 0.000 1.327 178 A CA -0.479 51.724 52.037 0.277 0.000 0.917 178 A CB 0.467 19.664 19.000 0.328 0.000 1.162 178 A HN 0.600 nan 8.150 nan 0.000 0.535 179 V N 0.930 120.875 119.914 0.052 0.000 2.667 179 V HA 0.864 4.985 4.120 0.001 0.000 0.308 179 V C 0.367 176.293 176.094 -0.280 0.000 1.048 179 V CA -0.488 61.801 62.300 -0.018 0.000 0.928 179 V CB 1.460 33.299 31.823 0.027 0.000 1.004 179 V HN 1.196 nan 8.190 nan 0.000 0.444 180 A N 2.450 125.027 122.820 -0.406 0.000 2.374 180 A HA 1.026 5.346 4.320 0.001 0.000 0.305 180 A C -0.355 176.836 177.584 -0.654 0.000 1.053 180 A CA -0.013 51.458 52.037 -0.944 0.000 0.726 180 A CB 1.621 19.591 19.000 -1.716 0.000 1.229 180 A HN 1.969 nan 8.150 nan 0.000 0.431 181 A N 0.910 123.355 122.820 -0.625 0.000 2.601 181 A HA 0.758 5.078 4.320 0.001 0.000 0.291 181 A C -0.414 176.889 177.584 -0.470 0.000 1.075 181 A CA -0.400 51.291 52.037 -0.576 0.000 0.671 181 A CB 0.622 19.042 19.000 -0.966 0.000 1.277 181 A HN 0.936 nan 8.150 nan 0.000 0.417 182 T N 2.138 116.508 114.554 -0.308 0.000 3.364 182 T HA 0.298 4.649 4.350 0.001 0.000 0.323 182 T C 0.249 174.864 174.700 -0.143 0.000 1.323 182 T CA 0.374 62.393 62.100 -0.135 0.000 1.073 182 T CB -0.833 67.966 68.868 -0.113 0.000 1.150 182 T HN 0.473 nan 8.240 nan 0.000 0.727 183 Y N 1.259 121.573 120.300 0.023 0.000 2.314 183 Y HA 0.079 4.629 4.550 0.001 0.000 0.293 183 Y C 1.296 177.236 175.900 0.067 0.000 1.129 183 Y CA 0.154 58.259 58.100 0.008 0.000 1.201 183 Y CB 0.103 38.532 38.460 -0.052 0.000 0.999 183 Y HN 0.272 nan 8.280 nan 0.000 0.541 184 V N 2.168 122.165 119.914 0.138 0.000 2.459 184 V HA 0.446 4.566 4.120 0.001 0.000 0.295 184 V C -0.381 175.649 176.094 -0.108 0.000 1.029 184 V CA -0.900 61.398 62.300 -0.003 0.000 0.874 184 V CB 1.773 33.490 31.823 -0.176 0.000 0.985 184 V HN 0.039 nan 8.190 nan 0.000 0.438 185 L N 6.017 127.099 121.223 -0.236 0.000 2.545 185 L HA 0.465 4.806 4.340 0.001 0.000 0.258 185 L C -2.608 174.124 176.870 -0.231 0.000 0.942 185 L CA -1.688 52.927 54.840 -0.374 0.000 0.855 185 L CB 3.405 44.974 42.059 -0.818 0.000 1.374 185 L HN 0.418 nan 8.230 nan 0.000 0.411 186 P HA -0.012 nan 4.420 nan 0.000 0.261 186 P C -1.125 176.155 177.300 -0.033 0.000 1.183 186 P CA 0.269 63.346 63.100 -0.039 0.000 0.761 186 P CB 0.406 32.095 31.700 -0.018 0.000 0.785 187 E N 5.900 126.113 120.200 0.023 0.000 2.063 187 E HA 0.153 4.503 4.350 0.001 0.000 0.265 187 E C -1.341 175.288 176.600 0.048 0.000 0.919 187 E CA -1.737 54.694 56.400 0.053 0.000 0.756 187 E CB 0.982 30.742 29.700 0.100 0.000 1.120 187 E HN 0.453 nan 8.360 nan 0.000 0.414 188 P HA -0.152 nan 4.420 nan 0.000 0.214 188 P C 0.403 177.729 177.300 0.044 0.000 1.162 188 P CA 0.742 63.865 63.100 0.038 0.000 0.874 188 P CB 0.374 32.094 31.700 0.034 0.000 0.784 189 E N 0.997 121.228 120.200 0.052 0.000 2.480 189 E HA -0.018 4.332 4.350 0.001 0.000 0.258 189 E C 0.834 177.466 176.600 0.053 0.000 0.984 189 E CA 0.598 57.031 56.400 0.054 0.000 0.930 189 E CB 0.641 30.380 29.700 0.065 0.000 0.936 189 E HN 0.218 nan 8.360 nan 0.000 0.466 190 T N 0.936 115.517 114.554 0.045 0.000 3.129 190 T HA 0.271 4.621 4.350 0.001 0.000 0.251 190 T C 1.101 175.826 174.700 0.042 0.000 1.117 190 T CA 0.409 62.534 62.100 0.042 0.000 1.034 190 T CB 0.419 69.307 68.868 0.034 0.000 0.968 190 T HN 0.310 nan 8.240 nan 0.000 0.526 191 A N 1.659 124.506 122.820 0.045 0.000 2.074 191 A HA 0.372 4.692 4.320 0.001 0.000 0.200 191 A C 2.133 179.747 177.584 0.051 0.000 1.335 191 A CA 0.495 52.558 52.037 0.043 0.000 0.922 191 A CB -0.132 18.890 19.000 0.037 0.000 0.972 191 A HN 0.543 nan 8.150 nan 0.000 0.475 192 S N 0.409 116.145 115.700 0.061 0.000 2.631 192 S HA 0.160 4.630 4.470 0.001 0.000 0.217 192 S C 0.592 175.238 174.600 0.077 0.000 0.958 192 S CA -0.532 57.712 58.200 0.072 0.000 0.920 192 S CB -0.444 62.807 63.200 0.085 0.000 0.776 192 S HN 0.451 nan 8.310 nan 0.000 0.517 193 R N 0.876 121.420 120.500 0.074 0.000 2.537 193 R HA 0.094 4.435 4.340 0.001 0.000 0.281 193 R C 0.747 177.088 176.300 0.068 0.000 0.988 193 R CA 0.549 56.698 56.100 0.083 0.000 1.077 193 R CB -0.129 30.218 30.300 0.078 0.000 0.932 193 R HN 0.672 nan 8.270 nan 0.000 0.409 194 c N -0.668 117.970 118.600 0.063 0.000 3.911 194 c HA 0.259 4.830 4.570 0.001 0.000 0.318 194 c C 0.111 174.203 174.090 0.003 0.000 1.643 194 c CA -1.116 55.223 56.329 0.017 0.000 1.845 194 c CB -0.611 41.882 42.510 -0.029 0.000 2.981 194 c HN 0.612 nan 8.230 nan 0.000 0.656 195 N N 4.101 122.837 118.700 0.060 0.000 2.395 195 N HA 0.272 5.012 4.740 0.001 0.000 0.246 195 N C -1.864 173.683 175.510 0.062 0.000 1.246 195 N CA -0.435 52.653 53.050 0.063 0.000 0.879 195 N CB 0.580 39.121 38.487 0.089 0.000 1.098 195 N HN 0.486 nan 8.380 nan 0.000 0.444 196 P HA 0.087 nan 4.420 nan 0.000 0.275 196 P C -0.699 176.702 177.300 0.168 0.000 1.270 196 P CA -0.393 62.728 63.100 0.036 0.000 0.791 196 P CB 0.378 32.042 31.700 -0.060 0.000 1.089 197 A N -0.026 122.859 122.820 0.109 0.000 2.406 197 A HA 0.369 4.689 4.320 0.001 0.000 0.243 197 A C 1.813 179.480 177.584 0.138 0.000 1.082 197 A CA 0.343 52.438 52.037 0.097 0.000 0.786 197 A CB -0.703 18.314 19.000 0.028 0.000 1.029 197 A HN 0.589 nan 8.150 nan 0.000 0.495 198 A N 0.921 123.703 122.820 -0.062 0.000 1.917 198 A HA -0.150 4.171 4.320 0.001 0.000 0.219 198 A C 2.239 179.785 177.584 -0.063 0.000 1.182 198 A CA 2.623 54.513 52.037 -0.244 0.000 0.633 198 A CB -1.207 17.659 19.000 -0.223 0.000 0.819 198 A HN 1.736 nan 8.150 nan 0.000 0.448 199 S N -1.264 114.422 115.700 -0.023 0.000 2.603 199 S HA -0.017 4.453 4.470 0.001 0.000 0.229 199 S C 0.663 175.268 174.600 0.008 0.000 0.972 199 S CA 0.983 59.176 58.200 -0.011 0.000 0.935 199 S CB -0.067 63.121 63.200 -0.020 0.000 0.769 199 S HN 0.543 nan 8.310 nan 0.000 0.536 200 D N -0.076 120.352 120.400 0.047 0.000 2.469 200 D HA 0.147 4.788 4.640 0.001 0.000 0.213 200 D C 0.693 177.031 176.300 0.064 0.000 1.135 200 D CA 0.049 54.057 54.000 0.013 0.000 0.834 200 D CB -0.055 40.718 40.800 -0.046 0.000 1.009 200 D HN 0.344 nan 8.370 nan 0.000 0.507 201 H N 1.534 120.588 119.070 -0.027 0.000 2.457 201 H HA -0.101 4.456 4.556 0.001 0.000 0.297 201 H C 1.180 176.519 175.328 0.019 0.000 1.092 201 H CA 1.565 57.616 56.048 0.005 0.000 1.309 201 H CB 0.196 29.963 29.762 0.009 0.000 1.382 201 H HN 0.211 nan 8.280 nan 0.000 0.535 202 D N -0.456 120.004 120.400 0.101 0.000 2.342 202 D HA -0.033 4.607 4.640 0.001 0.000 0.221 202 D C 0.108 176.434 176.300 0.043 0.000 1.101 202 D CA -0.030 54.007 54.000 0.061 0.000 0.837 202 D CB -0.879 39.944 40.800 0.039 0.000 0.938 202 D HN 0.256 nan 8.370 nan 0.000 0.508 203 T N -2.792 111.771 114.554 0.014 0.000 2.834 203 T HA 0.531 4.881 4.350 0.001 0.000 0.298 203 T C 0.929 175.693 174.700 0.107 0.000 0.966 203 T CA -0.171 61.916 62.100 -0.021 0.000 1.141 203 T CB 1.862 70.616 68.868 -0.189 0.000 0.905 203 T HN 0.108 nan 8.240 nan 0.000 0.535 204 A N 4.291 127.151 122.820 0.068 0.000 1.969 204 A HA 0.564 4.885 4.320 0.001 0.000 0.205 204 A C 0.779 178.263 177.584 -0.167 0.000 1.364 204 A CA -0.092 52.012 52.037 0.113 0.000 0.756 204 A CB 0.257 19.397 19.000 0.234 0.000 0.988 204 A HN 0.821 nan 8.150 nan 0.000 0.490 205 I N -0.459 119.926 120.570 -0.309 0.000 2.608 205 I HA 0.631 4.802 4.170 0.001 0.000 0.295 205 I C -0.434 175.518 176.117 -0.275 0.000 1.049 205 I CA -0.764 60.246 61.300 -0.484 0.000 1.063 205 I CB 2.214 39.725 38.000 -0.814 0.000 1.248 205 I HN 0.255 nan 8.210 nan 0.000 0.424 206 A N 6.498 129.199 122.820 -0.198 0.000 2.435 206 A HA 0.857 5.178 4.320 0.001 0.000 0.304 206 A C -1.156 176.389 177.584 -0.064 0.000 1.064 206 A CA -0.552 51.411 52.037 -0.123 0.000 0.727 206 A CB 1.500 20.436 19.000 -0.107 0.000 1.284 206 A HN 0.651 nan 8.150 nan 0.000 0.415 207 L N 1.988 123.184 121.223 -0.045 0.000 2.309 207 L HA 0.518 4.858 4.340 0.001 0.000 0.282 207 L C -0.278 176.615 176.870 0.037 0.000 1.036 207 L CA -0.800 54.047 54.840 0.012 0.000 0.806 207 L CB 1.434 43.462 42.059 -0.052 0.000 1.220 207 L HN 0.537 nan 8.230 nan 0.000 0.429 208 K N 1.750 122.217 120.400 0.112 0.000 2.376 208 K HA 0.272 4.593 4.320 0.001 0.000 0.257 208 K C -1.250 175.496 176.600 0.243 0.000 0.939 208 K CA -0.759 55.604 56.287 0.128 0.000 0.809 208 K CB 2.375 34.925 32.500 0.084 0.000 1.121 208 K HN 0.453 nan 8.250 nan 0.000 0.425 209 D N 1.801 122.341 120.400 0.234 0.000 2.344 209 D HA -0.011 4.629 4.640 0.001 0.000 0.253 209 D C 1.167 177.486 176.300 0.032 0.000 1.255 209 D CA 0.027 54.136 54.000 0.181 0.000 0.894 209 D CB 0.863 41.768 40.800 0.175 0.000 1.067 209 D HN 0.556 nan 8.370 nan 0.000 0.492 210 T N 0.693 115.226 114.554 -0.034 0.000 3.025 210 T HA -0.145 4.205 4.350 0.001 0.000 0.270 210 T C 0.807 175.519 174.700 0.019 0.000 1.126 210 T CA 0.858 62.961 62.100 0.005 0.000 1.105 210 T CB -0.097 68.779 68.868 0.014 0.000 0.884 210 T HN 0.537 nan 8.240 nan 0.000 0.522 211 E N 0.541 120.730 120.200 -0.018 0.000 2.558 211 E HA 0.395 4.746 4.350 0.001 0.000 0.205 211 E C 0.818 177.418 176.600 0.001 0.000 1.006 211 E CA -0.525 55.874 56.400 -0.002 0.000 0.961 211 E CB 0.776 30.470 29.700 -0.010 0.000 1.044 211 E HN 0.597 nan 8.360 nan 0.000 0.465 212 G N 0.539 109.346 108.800 0.010 0.000 2.644 212 G HA2 0.295 4.256 3.960 0.001 0.000 0.307 212 G HA3 0.295 4.256 3.960 0.001 0.000 0.307 212 G C -0.344 174.570 174.900 0.023 0.000 1.250 212 G CA -0.851 44.261 45.100 0.019 0.000 0.996 212 G HN -0.070 nan 8.290 nan 0.000 0.489 213 R N 0.932 121.445 120.500 0.021 0.000 2.549 213 R HA -0.033 4.307 4.340 0.001 0.000 0.336 213 R C 0.998 177.311 176.300 0.023 0.000 0.891 213 R CA 1.149 57.260 56.100 0.019 0.000 1.102 213 R CB -0.332 29.977 30.300 0.016 0.000 0.899 213 R HN 1.164 nan 8.270 nan 0.000 0.407 214 S N 1.783 117.498 115.700 0.024 0.000 3.427 214 S HA -0.240 4.230 4.470 0.001 0.000 0.373 214 S C 0.680 175.300 174.600 0.033 0.000 0.973 214 S CA 0.804 59.021 58.200 0.029 0.000 1.218 214 S CB -1.898 61.316 63.200 0.024 0.000 0.912 214 S HN 0.771 nan 8.310 nan 0.000 0.483 215 L N -2.870 118.376 121.223 0.038 0.000 3.833 215 L HA -0.265 4.075 4.340 0.001 0.000 0.447 215 L C 1.027 177.925 176.870 0.046 0.000 1.213 215 L CA 0.276 55.144 54.840 0.047 0.000 0.801 215 L CB -2.807 39.282 42.059 0.050 0.000 1.676 215 L HN 0.971 nan 8.230 nan 0.000 0.883 216 A N -0.119 122.726 122.820 0.041 0.000 2.561 216 A HA 0.374 4.695 4.320 0.001 0.000 0.234 216 A C 0.860 178.465 177.584 0.036 0.000 1.055 216 A CA 0.885 52.941 52.037 0.031 0.000 0.756 216 A CB 0.090 19.108 19.000 0.029 0.000 0.986 216 A HN 0.322 nan 8.150 nan 0.000 0.505 217 T N 3.239 117.797 114.554 0.006 0.000 2.767 217 T HA 0.439 4.789 4.350 0.001 0.000 0.284 217 T C 0.252 174.942 174.700 -0.016 0.000 0.973 217 T CA -0.120 61.973 62.100 -0.011 0.000 0.996 217 T CB 1.105 69.946 68.868 -0.045 0.000 0.927 217 T HN 0.744 nan 8.240 nan 0.000 0.456 218 Q N 1.112 120.901 119.800 -0.017 0.000 2.177 218 Q HA 0.303 4.643 4.340 0.001 0.000 0.183 218 Q C 1.644 177.625 176.000 -0.032 0.000 1.040 218 Q CA -0.295 55.497 55.803 -0.018 0.000 1.089 218 Q CB 0.370 29.101 28.738 -0.012 0.000 1.130 218 Q HN 0.763 nan 8.270 nan 0.000 0.575 219 E N -0.227 119.956 120.200 -0.028 0.000 2.058 219 E HA -0.173 4.177 4.350 0.001 0.000 0.194 219 E C 0.584 177.159 176.600 -0.041 0.000 0.997 219 E CA 1.101 57.482 56.400 -0.032 0.000 0.801 219 E CB 0.004 29.690 29.700 -0.024 0.000 0.746 219 E HN 0.451 nan 8.360 nan 0.000 0.450 220 L N -0.023 121.175 121.223 -0.043 0.000 2.728 220 L HA 0.233 4.573 4.340 0.001 0.000 0.235 220 L C 1.455 178.285 176.870 -0.067 0.000 1.197 220 L CA -0.029 54.781 54.840 -0.050 0.000 0.992 220 L CB 0.723 42.756 42.059 -0.043 0.000 1.263 220 L HN 0.121 nan 8.230 nan 0.000 0.484 221 G N 0.638 109.396 108.800 -0.070 0.000 3.233 221 G HA2 0.101 4.062 3.960 0.001 0.000 0.227 221 G HA3 0.101 4.062 3.960 0.001 0.000 0.227 221 G C 0.560 175.401 174.900 -0.099 0.000 1.175 221 G CA -0.275 44.774 45.100 -0.084 0.000 0.781 221 G HN 0.411 nan 8.290 nan 0.000 0.542 222 R N -1.420 119.017 120.500 -0.105 0.000 2.740 222 R HA 0.714 5.054 4.340 0.001 0.000 0.273 222 R C -2.028 174.184 176.300 -0.146 0.000 0.998 222 R CA -1.089 54.931 56.100 -0.133 0.000 0.900 222 R CB 1.405 31.629 30.300 -0.127 0.000 1.223 222 R HN -0.025 nan 8.270 nan 0.000 0.466 223 L N 1.740 122.844 121.223 -0.199 0.000 2.296 223 L HA 0.468 4.808 4.340 0.001 0.000 0.286 223 L C -0.917 175.866 176.870 -0.144 0.000 1.023 223 L CA -0.295 54.400 54.840 -0.242 0.000 0.812 223 L CB 1.403 43.201 42.059 -0.434 0.000 1.223 223 L HN 0.636 nan 8.230 nan 0.000 0.421 224 K N 5.044 125.399 120.400 -0.074 0.000 2.098 224 K HA 0.536 4.856 4.320 0.001 0.000 0.261 224 K C -0.781 175.892 176.600 0.121 0.000 0.987 224 K CA -0.692 55.603 56.287 0.013 0.000 0.916 224 K CB 1.311 33.801 32.500 -0.016 0.000 1.039 224 K HN 0.518 nan 8.250 nan 0.000 0.455 225 L N 0.938 122.216 121.223 0.093 0.000 2.439 225 L HA 0.235 4.575 4.340 0.001 0.000 0.261 225 L C -0.205 176.631 176.870 -0.057 0.000 1.153 225 L CA -0.863 53.989 54.840 0.020 0.000 0.808 225 L CB 1.013 43.080 42.059 0.014 0.000 1.126 225 L HN 0.647 nan 8.230 nan 0.000 0.460 226 c N 1.287 119.797 118.600 -0.151 0.000 2.330 226 c HA 0.216 4.787 4.570 0.001 0.000 0.344 226 c C 0.426 174.439 174.090 -0.128 0.000 1.273 226 c CA -0.807 55.436 56.329 -0.144 0.000 1.879 226 c CB 0.369 42.749 42.510 -0.217 0.000 2.376 226 c HN 0.687 nan 8.230 nan 0.000 0.534 227 E N 1.070 121.215 120.200 -0.091 0.000 2.437 227 E HA 0.285 4.635 4.350 0.001 0.000 0.263 227 E C 1.243 177.779 176.600 -0.106 0.000 1.030 227 E CA 1.173 57.529 56.400 -0.074 0.000 0.934 227 E CB 0.309 29.977 29.700 -0.052 0.000 0.943 227 E HN 1.098 nan 8.360 nan 0.000 0.444 228 G N 1.897 110.647 108.800 -0.083 0.000 2.245 228 G HA2 -0.422 3.538 3.960 0.001 0.000 0.264 228 G HA3 -0.422 3.538 3.960 0.001 0.000 0.264 228 G C 1.043 175.873 174.900 -0.116 0.000 0.985 228 G CA 0.559 45.602 45.100 -0.095 0.000 0.625 228 G HN 0.681 nan 8.290 nan 0.000 0.536 229 A N 0.437 123.173 122.820 -0.141 0.000 2.248 229 A HA 0.493 4.814 4.320 0.001 0.000 0.210 229 A C 2.688 180.223 177.584 -0.081 0.000 1.174 229 A CA 1.844 53.789 52.037 -0.153 0.000 0.750 229 A CB -0.791 18.084 19.000 -0.207 0.000 0.780 229 A HN 2.686 nan 8.150 nan 0.000 0.478 230 G N -0.976 107.793 108.800 -0.052 0.000 2.552 230 G HA2 -0.186 3.774 3.960 0.001 0.000 0.265 230 G HA3 -0.186 3.774 3.960 0.001 0.000 0.265 230 G C 0.115 175.028 174.900 0.022 0.000 1.234 230 G CA -0.038 45.055 45.100 -0.012 0.000 0.944 230 G HN 1.006 nan 8.290 nan 0.000 0.568 231 S N -0.573 115.172 115.700 0.075 0.000 2.617 231 S HA 0.689 5.160 4.470 0.001 0.000 0.283 231 S C -0.400 174.260 174.600 0.100 0.000 1.189 231 S CA -0.448 57.840 58.200 0.147 0.000 1.036 231 S CB 1.646 65.063 63.200 0.362 0.000 1.014 231 S HN 0.710 nan 8.310 nan 0.000 0.522 232 L N 2.312 123.568 121.223 0.054 0.000 2.343 232 L HA 0.355 4.695 4.340 0.001 0.000 0.278 232 L C -0.587 176.159 176.870 -0.208 0.000 0.996 232 L CA -0.276 54.496 54.840 -0.114 0.000 0.831 232 L CB 1.076 42.934 42.059 -0.336 0.000 1.232 232 L HN 0.743 nan 8.230 nan 0.000 0.413 233 H N 3.863 122.690 119.070 -0.405 0.000 2.741 233 H HA 0.413 4.969 4.556 0.001 0.000 0.282 233 H C -0.805 174.239 175.328 -0.474 0.000 1.122 233 H CA -0.280 55.486 56.048 -0.470 0.000 1.293 233 H CB 0.214 29.415 29.762 -0.935 0.000 1.415 233 H HN 0.361 nan 8.280 nan 0.000 0.472 234 F N 4.081 123.877 119.950 -0.257 0.000 2.443 234 F HA 0.047 4.575 4.527 0.001 0.000 0.353 234 F C 0.949 176.722 175.800 -0.045 0.000 1.101 234 F CA -0.146 57.832 58.000 -0.037 0.000 1.226 234 F CB 1.037 40.019 39.000 -0.030 0.000 1.140 234 F HN 0.373 nan 8.300 nan 0.000 0.557 235 V N -0.020 120.084 119.914 0.316 0.000 3.212 235 V HA 0.113 4.234 4.120 0.001 0.000 0.244 235 V C -0.168 176.117 176.094 0.319 0.000 1.151 235 V CA 0.699 63.166 62.300 0.277 0.000 1.119 235 V CB 0.188 32.191 31.823 0.300 0.000 0.838 235 V HN 0.815 nan 8.190 nan 0.000 0.470 236 D N -1.388 119.225 120.400 0.355 0.000 2.692 236 D HA 0.663 5.303 4.640 0.001 0.000 0.303 236 D C -1.614 174.826 176.300 0.232 0.000 1.278 236 D CA 0.222 54.424 54.000 0.337 0.000 0.852 236 D CB 2.028 43.089 40.800 0.435 0.000 1.375 236 D HN 0.205 nan 8.370 nan 0.000 0.453 237 A N 0.808 123.710 122.820 0.137 0.000 2.485 237 A HA 0.621 4.941 4.320 0.001 0.000 0.285 237 A C -1.592 175.943 177.584 -0.083 0.000 1.045 237 A CA -0.712 51.164 52.037 -0.270 0.000 0.792 237 A CB 0.045 18.917 19.000 -0.214 0.000 1.307 237 A HN 0.675 nan 8.150 nan 0.000 0.406 238 F N 0.661 120.507 119.950 -0.173 0.000 2.643 238 F HA 0.913 5.441 4.527 0.001 0.000 0.314 238 F C -1.551 174.273 175.800 0.041 0.000 1.096 238 F CA -1.657 56.339 58.000 -0.008 0.000 0.953 238 F CB 0.693 39.744 39.000 0.085 0.000 1.345 238 F HN 0.307 nan 8.300 nan 0.000 0.468 239 L N 1.587 123.043 121.223 0.389 0.000 2.360 239 L HA 0.590 4.930 4.340 0.001 0.000 0.271 239 L C -1.280 175.933 176.870 0.572 0.000 1.057 239 L CA -0.330 54.704 54.840 0.324 0.000 0.803 239 L CB 1.400 43.583 42.059 0.206 0.000 1.207 239 L HN 0.856 nan 8.230 nan 0.000 0.445 240 W N 3.603 125.066 121.300 0.272 0.000 4.294 240 W HA 0.211 4.871 4.660 0.001 0.000 0.266 240 W C -0.290 176.354 176.519 0.209 0.000 1.296 240 W CA -0.884 56.594 57.345 0.223 0.000 1.302 240 W CB 0.544 30.110 29.460 0.177 0.000 1.188 240 W HN 0.555 nan 8.180 nan 0.000 0.519 241 N N 3.961 122.178 118.700 -0.804 0.000 2.669 241 N HA -0.146 4.594 4.740 0.001 0.000 0.266 241 N C 0.948 176.307 175.510 -0.253 0.000 1.024 241 N CA 3.056 55.664 53.050 -0.736 0.000 0.766 241 N CB -0.827 36.856 38.487 -1.341 0.000 0.898 241 N HN 1.765 nan 8.380 nan 0.000 0.548 242 G N -1.097 107.616 108.800 -0.145 0.000 2.200 242 G HA2 -0.297 3.663 3.960 0.001 0.000 0.267 242 G HA3 -0.297 3.663 3.960 0.001 0.000 0.267 242 G C 0.221 175.085 174.900 -0.059 0.000 0.993 242 G CA 0.899 45.951 45.100 -0.079 0.000 0.701 242 G HN 0.814 nan 8.290 nan 0.000 0.524 243 S N -1.342 114.360 115.700 0.003 0.000 2.740 243 S HA 0.825 5.296 4.470 0.001 0.000 0.300 243 S C -0.348 174.202 174.600 -0.083 0.000 1.147 243 S CA -0.724 57.429 58.200 -0.079 0.000 0.871 243 S CB 1.889 65.013 63.200 -0.126 0.000 1.173 243 S HN 0.425 nan 8.310 nan 0.000 0.510 244 I N 1.336 121.722 120.570 -0.307 0.000 2.465 244 I HA 0.445 4.616 4.170 0.001 0.000 0.291 244 I C -1.629 174.090 176.117 -0.664 0.000 1.014 244 I CA -0.565 60.505 61.300 -0.382 0.000 1.093 244 I CB 1.432 39.198 38.000 -0.389 0.000 1.267 244 I HN 0.548 nan 8.210 nan 0.000 0.431 245 Y N 4.839 124.611 120.300 -0.881 0.000 2.393 245 Y HA 0.520 5.071 4.550 0.001 0.000 0.341 245 Y C -0.699 174.532 175.900 -1.114 0.000 0.988 245 Y CA -0.563 56.990 58.100 -0.913 0.000 1.078 245 Y CB 1.787 39.544 38.460 -1.171 0.000 1.203 245 Y HN 0.328 nan 8.280 nan 0.000 0.453 246 F N 4.135 124.004 119.950 -0.135 0.000 2.451 246 F HA 0.430 4.957 4.527 0.001 0.000 0.367 246 F C -2.530 173.449 175.800 0.297 0.000 1.100 246 F CA -2.593 55.454 58.000 0.078 0.000 1.171 246 F CB 0.954 40.031 39.000 0.128 0.000 1.405 246 F HN 0.239 nan 8.300 nan 0.000 0.482 247 P HA 0.138 nan 4.420 nan 0.000 0.268 247 P C -1.106 176.451 177.300 0.427 0.000 1.205 247 P CA 0.360 63.590 63.100 0.216 0.000 0.771 247 P CB 0.453 32.221 31.700 0.113 0.000 0.858 248 Y N 1.109 121.486 120.300 0.127 0.000 2.895 248 Y HA 0.708 5.258 4.550 0.001 0.000 0.339 248 Y C -1.943 174.017 175.900 0.100 0.000 1.363 248 Y CA -1.461 56.620 58.100 -0.031 0.000 1.085 248 Y CB 0.941 39.148 38.460 -0.422 0.000 1.500 248 Y HN 0.471 nan 8.280 nan 0.000 0.442 249 Y N -1.735 118.560 120.300 -0.009 0.000 2.409 249 Y HA 0.704 5.255 4.550 0.001 0.000 0.321 249 Y C -3.510 172.454 175.900 0.106 0.000 1.209 249 Y CA -2.959 55.103 58.100 -0.064 0.000 1.086 249 Y CB 1.171 39.619 38.460 -0.020 0.000 1.320 249 Y HN 0.490 nan 8.280 nan 0.000 0.440 250 P HA 0.092 nan 4.420 nan 0.000 0.266 250 P C -1.241 176.224 177.300 0.276 0.000 1.195 250 P CA 0.829 64.040 63.100 0.186 0.000 0.768 250 P CB 0.945 32.730 31.700 0.141 0.000 0.838 251 Y N 1.603 121.892 120.300 -0.019 0.000 2.521 251 Y HA 0.326 4.877 4.550 0.001 0.000 0.332 251 Y C -1.198 174.612 175.900 -0.150 0.000 1.121 251 Y CA -1.030 57.020 58.100 -0.085 0.000 1.037 251 Y CB 1.777 40.109 38.460 -0.214 0.000 1.330 251 Y HN 0.233 nan 8.280 nan 0.000 0.452 252 N N 4.788 123.068 118.700 -0.700 0.000 2.527 252 N HA 0.106 4.846 4.740 0.001 0.000 0.236 252 N C -0.156 174.991 175.510 -0.605 0.000 0.999 252 N CA 0.003 52.792 53.050 -0.435 0.000 0.935 252 N CB 0.293 38.600 38.487 -0.300 0.000 1.132 252 N HN 0.823 nan 8.380 nan 0.000 0.511 253 Y N 1.551 121.795 120.300 -0.092 0.000 2.333 253 Y HA -0.152 4.398 4.550 0.001 0.000 0.290 253 Y C 2.221 178.131 175.900 0.017 0.000 1.144 253 Y CA 1.285 59.476 58.100 0.152 0.000 1.228 253 Y CB 0.096 38.674 38.460 0.196 0.000 0.985 253 Y HN 0.444 nan 8.280 nan 0.000 0.542 254 T N -1.857 112.753 114.554 0.093 0.000 2.770 254 T HA -0.167 4.184 4.350 0.001 0.000 0.258 254 T C 2.150 176.842 174.700 -0.014 0.000 1.039 254 T CA 1.438 63.563 62.100 0.042 0.000 1.143 254 T CB -0.559 68.321 68.868 0.020 0.000 0.866 254 T HN 0.277 nan 8.240 nan 0.000 0.428 255 S N 0.034 115.686 115.700 -0.081 0.000 2.402 255 S HA 0.116 4.586 4.470 0.001 0.000 0.229 255 S C 1.724 176.245 174.600 -0.132 0.000 1.021 255 S CA 1.404 59.542 58.200 -0.103 0.000 0.974 255 S CB -0.825 62.294 63.200 -0.134 0.000 0.800 255 S HN 0.860 nan 8.310 nan 0.000 0.484 256 G N 0.246 108.901 108.800 -0.242 0.000 2.160 256 G HA2 -0.000 3.960 3.960 0.001 0.000 0.244 256 G HA3 -0.000 3.960 3.960 0.001 0.000 0.244 256 G C -0.035 174.691 174.900 -0.291 0.000 1.022 256 G CA 0.253 45.232 45.100 -0.202 0.000 0.741 256 G HN 1.186 nan 8.290 nan 0.000 0.508 257 A N -0.921 121.586 122.820 -0.522 0.000 2.435 257 A HA 1.054 5.374 4.320 0.001 0.000 0.304 257 A C 0.329 177.696 177.584 -0.362 0.000 1.064 257 A CA 0.409 52.260 52.037 -0.310 0.000 0.727 257 A CB 1.429 20.329 19.000 -0.166 0.000 1.284 257 A HN 2.069 nan 8.150 nan 0.000 0.415 258 A N 0.914 123.689 122.820 -0.075 0.000 2.371 258 A HA 0.572 4.892 4.320 0.001 0.000 0.257 258 A C 0.884 178.472 177.584 0.007 0.000 1.089 258 A CA 0.596 52.671 52.037 0.063 0.000 0.794 258 A CB -0.060 18.988 19.000 0.079 0.000 1.029 258 A HN 0.867 nan 8.150 nan 0.000 0.488 259 T N 1.663 116.247 114.554 0.049 0.000 3.538 259 T HA 0.365 4.715 4.350 0.001 0.000 0.204 259 T C 1.476 176.178 174.700 0.002 0.000 0.870 259 T CA 0.752 62.856 62.100 0.008 0.000 1.727 259 T CB -0.628 68.247 68.868 0.011 0.000 1.685 259 T HN 0.898 nan 8.240 nan 0.000 0.454 260 G N -0.075 108.739 108.800 0.024 0.000 2.666 260 G HA2 0.358 4.319 3.960 0.001 0.000 0.207 260 G HA3 0.358 4.319 3.960 0.001 0.000 0.207 260 G C -0.956 173.988 174.900 0.073 0.000 1.481 260 G CA -0.593 44.477 45.100 -0.050 0.000 1.071 260 G HN 0.315 nan 8.290 nan 0.000 0.572 261 W N 0.240 121.574 121.300 0.056 0.000 2.381 261 W HA 0.449 5.109 4.660 0.001 0.000 0.329 261 W C -2.133 174.387 176.519 0.003 0.000 1.157 261 W CA -2.616 54.746 57.345 0.028 0.000 1.240 261 W CB 0.387 29.852 29.460 0.007 0.000 1.199 261 W HN 0.123 nan 8.180 nan 0.000 0.579 262 P HA 0.095 nan 4.420 nan 0.000 0.268 262 P C -0.311 176.985 177.300 -0.007 0.000 1.205 262 P CA 0.746 63.933 63.100 0.146 0.000 0.771 262 P CB 0.871 32.732 31.700 0.268 0.000 0.858 263 S N 1.585 117.106 115.700 -0.299 0.000 2.840 263 S HA 0.730 5.201 4.470 0.001 0.000 0.307 263 S C -0.954 173.470 174.600 -0.294 0.000 1.180 263 S CA -0.693 57.319 58.200 -0.313 0.000 0.846 263 S CB 1.329 64.332 63.200 -0.329 0.000 1.233 263 S HN 0.390 nan 8.310 nan 0.000 0.548 264 M N 0.937 120.534 119.600 -0.005 0.000 2.371 264 M HA 0.670 5.150 4.480 0.001 0.000 0.287 264 M C -1.973 174.581 176.300 0.424 0.000 1.149 264 M CA -0.521 54.891 55.300 0.188 0.000 0.929 264 M CB 1.915 34.496 32.600 -0.032 0.000 1.683 264 M HN 0.838 nan 8.290 nan 0.000 0.470 265 A N 3.894 127.018 122.820 0.508 0.000 2.330 265 A HA 0.801 5.121 4.320 0.001 0.000 0.327 265 A C -1.092 176.559 177.584 0.113 0.000 1.155 265 A CA -0.677 51.595 52.037 0.391 0.000 0.803 265 A CB 1.202 20.380 19.000 0.297 0.000 1.208 265 A HN 0.895 nan 8.150 nan 0.000 0.477 266 R N 2.006 122.453 120.500 -0.088 0.000 2.494 266 R HA 0.709 5.049 4.340 0.001 0.000 0.305 266 R C -1.913 174.217 176.300 -0.283 0.000 0.959 266 R CA -0.486 55.349 56.100 -0.440 0.000 0.864 266 R CB 0.957 30.913 30.300 -0.572 0.000 1.159 266 R HN 0.592 nan 8.270 nan 0.000 0.446 267 I N 2.400 122.803 120.570 -0.279 0.000 2.730 267 I HA 0.409 4.580 4.170 0.001 0.000 0.298 267 I C -0.426 175.566 176.117 -0.207 0.000 1.089 267 I CA -0.484 60.725 61.300 -0.151 0.000 1.041 267 I CB 2.056 40.031 38.000 -0.041 0.000 1.235 267 I HN 0.824 nan 8.210 nan 0.000 0.423 268 A N 4.779 127.505 122.820 -0.157 0.000 2.386 268 A HA 0.382 4.702 4.320 0.001 0.000 0.248 268 A C -0.169 177.297 177.584 -0.196 0.000 1.082 268 A CA -0.217 51.728 52.037 -0.153 0.000 0.789 268 A CB 0.070 19.009 19.000 -0.102 0.000 1.025 268 A HN 0.689 nan 8.150 nan 0.000 0.490 269 Q N 1.075 120.757 119.800 -0.197 0.000 2.553 269 Q HA 0.377 4.718 4.340 0.001 0.000 0.221 269 Q C -0.117 175.846 176.000 -0.061 0.000 1.219 269 Q CA -0.047 55.593 55.803 -0.272 0.000 0.955 269 Q CB 0.536 29.154 28.738 -0.200 0.000 1.399 269 Q HN 0.696 nan 8.270 nan 0.000 0.551 270 S N -0.208 115.473 115.700 -0.031 0.000 2.806 270 S HA 0.369 4.840 4.470 0.001 0.000 0.306 270 S C 0.890 175.476 174.600 -0.023 0.000 1.167 270 S CA -0.284 57.922 58.200 0.010 0.000 0.847 270 S CB 1.328 64.504 63.200 -0.041 0.000 1.216 270 S HN 0.537 nan 8.310 nan 0.000 0.532 271 T N -0.641 113.840 114.554 -0.121 0.000 3.081 271 T HA 0.344 4.695 4.350 0.001 0.000 0.255 271 T C 0.292 174.847 174.700 -0.241 0.000 1.113 271 T CA 0.326 62.224 62.100 -0.335 0.000 1.082 271 T CB -0.330 68.418 68.868 -0.200 0.000 0.939 271 T HN 0.570 nan 8.240 nan 0.000 0.506 272 E N 0.293 120.414 120.200 -0.132 0.000 2.320 272 E HA 0.588 4.938 4.350 0.001 0.000 0.264 272 E C -1.366 175.182 176.600 -0.086 0.000 0.923 272 E CA -1.136 55.205 56.400 -0.099 0.000 0.796 272 E CB 2.589 32.250 29.700 -0.066 0.000 1.262 272 E HN -0.094 nan 8.360 nan 0.000 0.428 273 V N 2.477 122.343 119.914 -0.080 0.000 2.389 273 V HA 0.109 4.229 4.120 0.001 0.000 0.264 273 V C -0.707 175.361 176.094 -0.042 0.000 1.049 273 V CA -0.247 62.007 62.300 -0.077 0.000 0.932 273 V CB 0.552 32.315 31.823 -0.100 0.000 1.011 273 V HN 0.353 nan 8.190 nan 0.000 0.475 274 L N 7.640 128.845 121.223 -0.030 0.000 2.356 274 L HA 0.535 4.875 4.340 0.001 0.000 0.264 274 L C -0.569 176.329 176.870 0.046 0.000 1.029 274 L CA -0.437 54.405 54.840 0.003 0.000 0.897 274 L CB 0.656 42.700 42.059 -0.025 0.000 1.256 274 L HN 0.464 nan 8.230 nan 0.000 0.444 275 F N 3.208 123.100 119.950 -0.096 0.000 2.629 275 F HA 0.079 4.606 4.527 0.001 0.000 0.369 275 F C 1.015 176.774 175.800 -0.068 0.000 1.125 275 F CA 0.860 58.801 58.000 -0.098 0.000 1.330 275 F CB 0.655 39.616 39.000 -0.065 0.000 1.071 275 F HN 0.702 nan 8.300 nan 0.000 0.595 276 Q N 2.996 122.433 119.800 -0.606 0.000 2.113 276 Q HA 0.372 4.712 4.340 0.001 0.000 0.225 276 Q C 0.192 175.809 176.000 -0.638 0.000 0.786 276 Q CA 0.105 55.616 55.803 -0.486 0.000 0.989 276 Q CB 1.190 29.759 28.738 -0.282 0.000 1.174 276 Q HN 0.955 nan 8.270 nan 0.000 0.470 277 G N 0.949 109.003 108.800 -1.244 0.000 2.347 277 G HA2 0.039 3.999 3.960 0.001 0.000 0.321 277 G HA3 0.039 3.999 3.960 0.001 0.000 0.321 277 G C -2.132 172.569 174.900 -0.331 0.000 1.412 277 G CA -0.820 43.850 45.100 -0.717 0.000 0.990 277 G HN -0.042 nan 8.290 nan 0.000 0.637 278 Q N -0.606 119.238 119.800 0.073 0.000 2.345 278 Q HA 0.734 5.075 4.340 0.001 0.000 0.275 278 Q C -1.122 175.002 176.000 0.205 0.000 1.063 278 Q CA -0.530 55.477 55.803 0.340 0.000 0.819 278 Q CB 2.220 31.326 28.738 0.613 0.000 1.356 278 Q HN 2.028 nan 8.270 nan 0.000 0.418 279 A N 2.028 124.959 122.820 0.185 0.000 2.517 279 A HA 0.641 4.961 4.320 0.001 0.000 0.297 279 A C -1.155 176.457 177.584 0.046 0.000 1.050 279 A CA -0.568 51.523 52.037 0.090 0.000 0.694 279 A CB 2.018 21.047 19.000 0.048 0.000 1.277 279 A HN 0.619 nan 8.150 nan 0.000 0.400 280 S N 0.721 116.445 115.700 0.040 0.000 2.601 280 S HA 0.625 5.095 4.470 0.001 0.000 0.271 280 S C -0.323 174.210 174.600 -0.111 0.000 1.305 280 S CA -0.236 57.974 58.200 0.017 0.000 1.022 280 S CB 0.469 63.747 63.200 0.131 0.000 0.940 280 S HN 0.522 nan 8.310 nan 0.000 0.525 281 L N 2.361 123.501 121.223 -0.139 0.000 2.342 281 L HA 0.415 4.755 4.340 0.001 0.000 0.276 281 L C -0.222 176.549 176.870 -0.166 0.000 0.997 281 L CA -0.582 54.144 54.840 -0.192 0.000 0.838 281 L CB 1.292 43.159 42.059 -0.321 0.000 1.224 281 L HN 0.552 nan 8.230 nan 0.000 0.416 282 D N 2.650 122.975 120.400 -0.124 0.000 2.249 282 D HA 0.199 4.840 4.640 0.001 0.000 0.246 282 D C -0.783 175.398 176.300 -0.198 0.000 1.114 282 D CA -0.064 53.787 54.000 -0.248 0.000 0.854 282 D CB 1.892 42.515 40.800 -0.295 0.000 1.132 282 D HN 0.620 nan 8.370 nan 0.000 0.461 283 c N 3.745 122.154 118.600 -0.318 0.000 3.177 283 c HA 0.499 5.069 4.570 0.001 0.000 0.264 283 c C 0.595 174.576 174.090 -0.182 0.000 2.151 283 c CA -0.222 55.877 56.329 -0.384 0.000 1.254 283 c CB -0.645 41.253 42.510 -1.020 0.000 2.264 283 c HN 0.668 nan 8.230 nan 0.000 0.571 284 G N 0.293 109.047 108.800 -0.077 0.000 4.331 284 G HA2 0.235 4.195 3.960 0.001 0.000 0.299 284 G HA3 0.235 4.195 3.960 0.001 0.000 0.299 284 G C 0.582 175.521 174.900 0.065 0.000 1.158 284 G CA 0.220 45.333 45.100 0.022 0.000 0.916 284 G HN 0.715 nan 8.290 nan 0.000 0.553 285 H N 1.302 120.346 119.070 -0.043 0.000 2.280 285 H HA -0.103 4.453 4.556 0.001 0.000 0.294 285 H C 2.427 177.757 175.328 0.004 0.000 1.064 285 H CA 2.531 58.558 56.048 -0.035 0.000 1.208 285 H CB -0.258 29.467 29.762 -0.061 0.000 1.365 285 H HN 0.187 nan 8.280 nan 0.000 0.511 286 G N -1.676 106.981 108.800 -0.237 0.000 3.279 286 G HA2 0.026 3.986 3.960 0.001 0.000 0.230 286 G HA3 0.026 3.986 3.960 0.001 0.000 0.230 286 G C -0.546 174.330 174.900 -0.041 0.000 1.230 286 G CA 0.049 44.996 45.100 -0.256 0.000 0.891 286 G HN 0.529 nan 8.290 nan 0.000 0.518 287 H N -0.846 118.169 119.070 -0.091 0.000 2.600 287 H HA 0.423 4.979 4.556 0.001 0.000 0.357 287 H C -1.613 173.697 175.328 -0.031 0.000 1.106 287 H CA -1.353 54.670 56.048 -0.041 0.000 1.193 287 H CB 2.628 32.386 29.762 -0.006 0.000 1.594 287 H HN -0.099 nan 8.280 nan 0.000 0.526 288 P HA -0.190 nan 4.420 nan 0.000 0.202 288 P C 0.786 178.095 177.300 0.014 0.000 1.121 288 P CA 1.650 64.674 63.100 -0.126 0.000 0.939 288 P CB 0.223 31.808 31.700 -0.191 0.000 0.761 289 D N -0.759 119.682 120.400 0.067 0.000 2.392 289 D HA 0.023 4.663 4.640 0.001 0.000 0.228 289 D C 1.092 177.503 176.300 0.185 0.000 1.003 289 D CA 1.086 55.163 54.000 0.129 0.000 0.917 289 D CB -0.618 40.257 40.800 0.125 0.000 0.890 289 D HN 0.374 nan 8.370 nan 0.000 0.532 290 G N 0.889 109.827 108.800 0.229 0.000 2.725 290 G HA2 -0.252 3.708 3.960 0.001 0.000 0.220 290 G HA3 -0.252 3.708 3.960 0.001 0.000 0.220 290 G C -0.809 174.167 174.900 0.126 0.000 1.357 290 G CA -0.682 44.524 45.100 0.177 0.000 0.866 290 G HN 0.360 nan 8.290 nan 0.000 0.548 291 R N 0.195 120.736 120.500 0.068 0.000 2.358 291 R HA 0.437 4.778 4.340 0.001 0.000 0.309 291 R C 0.353 176.712 176.300 0.099 0.000 1.026 291 R CA -0.652 55.470 56.100 0.036 0.000 0.909 291 R CB 1.403 31.728 30.300 0.042 0.000 1.153 291 R HN 0.481 nan 8.270 nan 0.000 0.515 292 R N 2.853 123.395 120.500 0.070 0.000 2.831 292 R HA 0.311 4.652 4.340 0.001 0.000 0.337 292 R C -0.474 175.743 176.300 -0.138 0.000 1.200 292 R CA -0.037 56.108 56.100 0.074 0.000 1.088 292 R CB 0.309 30.685 30.300 0.128 0.000 1.397 292 R HN 0.330 nan 8.270 nan 0.000 0.581 293 L N 1.363 122.449 121.223 -0.228 0.000 2.439 293 L HA 0.382 4.722 4.340 0.001 0.000 0.270 293 L C -1.306 175.272 176.870 -0.487 0.000 0.972 293 L CA -1.087 53.372 54.840 -0.635 0.000 0.836 293 L CB 2.301 44.119 42.059 -0.402 0.000 1.255 293 L HN 0.005 nan 8.230 nan 0.000 0.404 294 L N 4.328 125.132 121.223 -0.698 0.000 2.272 294 L HA 0.373 4.713 4.340 0.001 0.000 0.289 294 L C 0.109 176.879 176.870 -0.167 0.000 1.032 294 L CA -0.038 54.607 54.840 -0.325 0.000 0.810 294 L CB 1.103 43.121 42.059 -0.067 0.000 1.205 294 L HN 0.492 nan 8.230 nan 0.000 0.422 295 L N 2.514 123.623 121.223 -0.190 0.000 2.316 295 L HA 0.347 4.688 4.340 0.001 0.000 0.207 295 L C 0.837 177.680 176.870 -0.046 0.000 1.070 295 L CA 0.618 55.383 54.840 -0.124 0.000 0.820 295 L CB -1.017 40.980 42.059 -0.103 0.000 0.992 295 L HN 0.701 nan 8.230 nan 0.000 0.466 296 S N -1.094 114.586 115.700 -0.032 0.000 2.556 296 S HA 0.636 5.107 4.470 0.001 0.000 0.271 296 S C -0.923 173.697 174.600 0.035 0.000 1.135 296 S CA -0.324 57.923 58.200 0.078 0.000 0.858 296 S CB 2.033 65.263 63.200 0.051 0.000 1.114 296 S HN 0.155 nan 8.310 nan 0.000 0.468 297 S N 1.574 117.360 115.700 0.144 0.000 2.546 297 S HA 0.833 5.303 4.470 0.001 0.000 0.274 297 S C -1.372 173.284 174.600 0.093 0.000 1.121 297 S CA -0.196 58.117 58.200 0.188 0.000 0.887 297 S CB 1.700 65.300 63.200 0.666 0.000 1.094 297 S HN 1.238 nan 8.310 nan 0.000 0.474 298 S N 2.477 118.089 115.700 -0.147 0.000 2.560 298 S HA 0.511 4.982 4.470 0.001 0.000 0.283 298 S C -2.074 172.338 174.600 -0.314 0.000 1.141 298 S CA -0.646 57.471 58.200 -0.139 0.000 0.902 298 S CB 1.204 64.333 63.200 -0.118 0.000 1.104 298 S HN 1.080 nan 8.310 nan 0.000 0.454 299 L N 5.903 126.971 121.223 -0.258 0.000 2.262 299 L HA 0.645 4.985 4.340 0.001 0.000 0.288 299 L C -0.731 176.006 176.870 -0.221 0.000 1.035 299 L CA -0.339 54.302 54.840 -0.332 0.000 0.820 299 L CB 1.180 42.874 42.059 -0.608 0.000 1.204 299 L HN 0.511 nan 8.230 nan 0.000 0.424 300 V N 5.906 125.693 119.914 -0.212 0.000 2.409 300 V HA 0.008 4.129 4.120 0.001 0.000 0.270 300 V C 1.391 177.439 176.094 -0.076 0.000 1.019 300 V CA -0.009 62.188 62.300 -0.171 0.000 1.066 300 V CB 0.025 31.752 31.823 -0.160 0.000 1.021 300 V HN 0.905 nan 8.190 nan 0.000 0.476 301 E N 5.429 125.607 120.200 -0.037 0.000 1.986 301 E HA -0.245 4.106 4.350 0.001 0.000 0.229 301 E C 1.621 178.263 176.600 0.071 0.000 0.997 301 E CA 2.016 58.442 56.400 0.043 0.000 0.894 301 E CB -0.255 29.479 29.700 0.056 0.000 0.813 301 E HN 0.845 nan 8.360 nan 0.000 0.549 302 A N -0.330 122.522 122.820 0.053 0.000 3.004 302 A HA 0.246 4.566 4.320 0.001 0.000 0.252 302 A C 0.737 178.350 177.584 0.048 0.000 1.802 302 A CA 0.307 52.379 52.037 0.059 0.000 1.424 302 A CB -0.657 18.369 19.000 0.044 0.000 1.005 302 A HN 0.337 nan 8.150 nan 0.000 0.631 303 L N -1.728 119.531 121.223 0.060 0.000 3.857 303 L HA 0.245 4.586 4.340 0.001 0.000 0.369 303 L C -0.499 176.408 176.870 0.063 0.000 1.105 303 L CA 0.803 55.666 54.840 0.037 0.000 1.360 303 L CB 0.254 42.304 42.059 -0.015 0.000 1.813 303 L HN 0.365 nan 8.230 nan 0.000 0.630 304 D N 0.206 120.679 120.400 0.122 0.000 2.837 304 D HA -0.136 4.504 4.640 0.001 0.000 0.230 304 D C -0.380 175.848 176.300 -0.120 0.000 1.152 304 D CA 1.191 55.276 54.000 0.141 0.000 0.736 304 D CB -1.578 39.438 40.800 0.360 0.000 1.084 304 D HN 0.146 nan 8.370 nan 0.000 0.429 305 V N -0.128 119.714 119.914 -0.119 0.000 2.735 305 V HA 0.625 4.745 4.120 0.001 0.000 0.310 305 V C -0.428 175.619 176.094 -0.078 0.000 1.061 305 V CA -1.088 61.154 62.300 -0.096 0.000 0.913 305 V CB 2.333 34.118 31.823 -0.063 0.000 1.005 305 V HN 0.249 nan 8.190 nan 0.000 0.428 306 W N 4.037 125.225 121.300 -0.186 0.000 2.529 306 W HA 0.776 5.436 4.660 0.001 0.000 0.321 306 W C -0.140 176.382 176.519 0.005 0.000 1.047 306 W CA -0.468 56.773 57.345 -0.173 0.000 1.216 306 W CB 1.475 30.821 29.460 -0.190 0.000 1.357 306 W HN 0.741 nan 8.180 nan 0.000 0.489 307 A N 3.742 125.966 122.820 -0.992 0.000 2.325 307 A HA 0.952 5.272 4.320 0.001 0.000 0.333 307 A C -0.372 176.291 177.584 -1.536 0.000 1.155 307 A CA -0.334 51.176 52.037 -0.879 0.000 0.814 307 A CB 1.106 19.814 19.000 -0.488 0.000 1.206 307 A HN 1.152 nan 8.150 nan 0.000 0.482 308 G N -0.593 107.670 108.800 -0.894 0.000 2.732 308 G HA2 0.535 4.495 3.960 0.001 0.000 0.296 308 G HA3 0.535 4.495 3.960 0.001 0.000 0.296 308 G C -1.702 173.020 174.900 -0.298 0.000 1.448 308 G CA -0.380 44.247 45.100 -0.789 0.000 0.911 308 G HN 0.913 nan 8.290 nan 0.000 0.528 309 V N 1.775 121.491 119.914 -0.331 0.000 2.350 309 V HA 0.568 4.689 4.120 0.001 0.000 0.276 309 V C -0.546 175.401 176.094 -0.246 0.000 1.028 309 V CA -0.347 61.876 62.300 -0.129 0.000 0.860 309 V CB 0.249 32.023 31.823 -0.082 0.000 0.990 309 V HN 0.539 nan 8.190 nan 0.000 0.453 310 F N 2.540 122.494 119.950 0.007 0.000 2.497 310 F HA 0.823 5.350 4.527 0.001 0.000 0.331 310 F C 0.574 176.343 175.800 -0.053 0.000 1.060 310 F CA -0.429 57.563 58.000 -0.012 0.000 0.989 310 F CB 2.107 41.125 39.000 0.031 0.000 1.245 310 F HN 0.501 nan 8.300 nan 0.000 0.486 311 S N 0.235 115.994 115.700 0.098 0.000 2.595 311 S HA 0.818 5.288 4.470 0.001 0.000 0.270 311 S C -1.639 172.910 174.600 -0.086 0.000 1.145 311 S CA -0.424 57.761 58.200 -0.025 0.000 0.825 311 S CB 1.031 64.203 63.200 -0.048 0.000 1.107 311 S HN 1.058 nan 8.310 nan 0.000 0.461 312 A N 1.411 124.128 122.820 -0.173 0.000 2.313 312 A HA 0.938 5.258 4.320 0.001 0.000 0.323 312 A C 0.349 177.881 177.584 -0.087 0.000 1.133 312 A CA -0.312 51.631 52.037 -0.157 0.000 0.847 312 A CB 0.797 19.597 19.000 -0.334 0.000 1.308 312 A HN 1.929 nan 8.150 nan 0.000 0.475 313 A N -0.179 122.626 122.820 -0.025 0.000 2.548 313 A HA 0.464 4.784 4.320 0.001 0.000 0.247 313 A C 0.691 178.285 177.584 0.016 0.000 1.067 313 A CA 0.514 52.553 52.037 0.002 0.000 0.757 313 A CB -0.417 18.595 19.000 0.019 0.000 0.996 313 A HN 2.041 nan 8.150 nan 0.000 0.504 314 A N 3.475 126.304 122.820 0.015 0.000 3.282 314 A HA 0.583 4.903 4.320 0.001 0.000 0.287 314 A C 1.156 178.759 177.584 0.032 0.000 1.366 314 A CA 0.517 52.571 52.037 0.027 0.000 1.069 314 A CB -1.263 17.751 19.000 0.023 0.000 1.109 314 A HN 2.820 nan 8.150 nan 0.000 0.638 315 G N 0.120 108.940 108.800 0.033 0.000 2.877 315 G HA2 -0.232 3.728 3.960 0.001 0.000 0.279 315 G HA3 -0.232 3.728 3.960 0.001 0.000 0.279 315 G C 0.405 175.320 174.900 0.026 0.000 1.431 315 G CA 0.152 45.269 45.100 0.029 0.000 0.883 315 G HN 0.489 nan 8.290 nan 0.000 0.547 316 E N 0.194 120.408 120.200 0.023 0.000 2.285 316 E HA 0.085 4.435 4.350 0.001 0.000 0.194 316 E C 2.202 178.820 176.600 0.029 0.000 0.997 316 E CA 1.069 57.483 56.400 0.024 0.000 0.845 316 E CB 0.068 29.780 29.700 0.020 0.000 0.782 316 E HN 0.678 nan 8.360 nan 0.000 0.491 317 G N 0.306 109.123 108.800 0.028 0.000 2.534 317 G HA2 0.013 3.973 3.960 0.001 0.000 0.220 317 G HA3 0.013 3.973 3.960 0.001 0.000 0.220 317 G C 0.569 175.488 174.900 0.032 0.000 1.699 317 G CA 0.043 45.161 45.100 0.030 0.000 0.769 317 G HN 0.072 nan 8.290 nan 0.000 0.632 318 Q N -0.625 119.193 119.800 0.031 0.000 2.713 318 Q HA 0.158 4.499 4.340 0.001 0.000 0.231 318 Q C 0.392 176.411 176.000 0.032 0.000 0.637 318 Q CA 0.111 55.933 55.803 0.032 0.000 1.047 318 Q CB 0.056 28.815 28.738 0.034 0.000 1.464 318 Q HN 0.551 nan 8.270 nan 0.000 0.347 319 E N -0.277 119.941 120.200 0.031 0.000 2.079 319 E HA 0.051 4.401 4.350 0.001 0.000 0.191 319 E C 0.483 177.104 176.600 0.034 0.000 0.961 319 E CA 0.125 56.543 56.400 0.029 0.000 0.823 319 E CB 0.414 30.129 29.700 0.025 0.000 0.789 319 E HN 0.134 nan 8.360 nan 0.000 0.459 320 R N 1.914 122.438 120.500 0.040 0.000 2.845 320 R HA 0.056 4.397 4.340 0.001 0.000 0.220 320 R C 0.028 176.368 176.300 0.067 0.000 1.528 320 R CA 0.082 56.215 56.100 0.054 0.000 1.374 320 R CB -1.220 29.119 30.300 0.065 0.000 1.104 320 R HN -0.014 nan 8.270 nan 0.000 0.510 321 R N 0.658 121.189 120.500 0.053 0.000 2.442 321 R HA 0.089 4.429 4.340 0.001 0.000 0.291 321 R C -0.287 176.051 176.300 0.063 0.000 1.069 321 R CA 0.192 56.326 56.100 0.056 0.000 1.022 321 R CB 0.645 30.973 30.300 0.046 0.000 0.976 321 R HN 0.102 nan 8.270 nan 0.000 0.443 322 S N 4.258 120.005 115.700 0.078 0.000 2.546 322 S HA 0.501 4.972 4.470 0.001 0.000 0.274 322 S C -2.264 172.375 174.600 0.066 0.000 1.121 322 S CA -1.502 56.745 58.200 0.079 0.000 0.887 322 S CB 1.849 65.127 63.200 0.130 0.000 1.094 322 S HN 0.590 nan 8.310 nan 0.000 0.474 323 P HA 0.049 nan 4.420 nan 0.000 0.242 323 P C 0.711 178.026 177.300 0.025 0.000 1.198 323 P CA 0.817 63.919 63.100 0.003 0.000 0.756 323 P CB -0.507 31.179 31.700 -0.023 0.000 0.911 324 T N -6.479 108.121 114.554 0.078 0.000 3.058 324 T HA 0.033 4.384 4.350 0.001 0.000 0.278 324 T C 1.449 176.222 174.700 0.122 0.000 0.974 324 T CA 0.465 62.633 62.100 0.113 0.000 0.893 324 T CB -0.987 67.965 68.868 0.139 0.000 1.138 324 T HN 0.055 nan 8.240 nan 0.000 0.529 325 T N 1.436 116.034 114.554 0.073 0.000 2.778 325 T HA -0.047 4.304 4.350 0.001 0.000 0.269 325 T C 1.200 175.833 174.700 -0.111 0.000 1.050 325 T CA 1.585 63.627 62.100 -0.097 0.000 1.137 325 T CB -1.002 67.854 68.868 -0.020 0.000 0.860 325 T HN 0.756 nan 8.240 nan 0.000 0.468 326 T N -1.066 113.497 114.554 0.015 0.000 2.942 326 T HA 0.810 5.160 4.350 0.001 0.000 0.289 326 T C -0.808 173.949 174.700 0.095 0.000 1.044 326 T CA -0.478 61.650 62.100 0.047 0.000 1.023 326 T CB 2.172 71.077 68.868 0.062 0.000 1.123 326 T HN 0.759 nan 8.240 nan 0.000 0.512 327 A N 0.761 123.653 122.820 0.120 0.000 2.608 327 A HA 0.685 5.006 4.320 0.001 0.000 0.292 327 A C -1.842 175.842 177.584 0.168 0.000 1.066 327 A CA -0.896 51.219 52.037 0.131 0.000 0.676 327 A CB 1.387 20.450 19.000 0.104 0.000 1.277 327 A HN 1.290 nan 8.150 nan 0.000 0.413 328 L N 0.559 121.852 121.223 0.115 0.000 2.322 328 L HA 0.845 5.185 4.340 0.001 0.000 0.281 328 L C -0.866 176.050 176.870 0.075 0.000 1.014 328 L CA -0.216 54.686 54.840 0.102 0.000 0.815 328 L CB 1.112 43.184 42.059 0.023 0.000 1.247 328 L HN 0.774 nan 8.230 nan 0.000 0.421 329 c N 4.693 123.387 118.600 0.155 0.000 2.712 329 c HA 0.761 5.331 4.570 0.001 0.000 0.308 329 c C -0.719 173.392 174.090 0.035 0.000 1.201 329 c CA -0.757 55.584 56.329 0.021 0.000 1.554 329 c CB 1.701 44.197 42.510 -0.023 0.000 2.117 329 c HN 0.760 nan 8.230 nan 0.000 0.480 330 L N 2.384 123.498 121.223 -0.181 0.000 2.365 330 L HA 0.715 5.055 4.340 0.001 0.000 0.273 330 L C -0.773 175.971 176.870 -0.211 0.000 1.000 330 L CA 0.196 54.985 54.840 -0.086 0.000 0.819 330 L CB 1.046 43.029 42.059 -0.126 0.000 1.284 330 L HN 0.548 nan 8.230 nan 0.000 0.418 331 F N 1.521 121.522 119.950 0.085 0.000 2.563 331 F HA 0.577 5.105 4.527 0.001 0.000 0.316 331 F C 0.388 176.189 175.800 0.001 0.000 1.076 331 F CA -0.921 57.127 58.000 0.080 0.000 0.921 331 F CB 1.738 40.859 39.000 0.201 0.000 1.209 331 F HN 0.191 nan 8.300 nan 0.000 0.462 332 R N 2.684 123.251 120.500 0.111 0.000 2.298 332 R HA 0.221 4.561 4.340 0.001 0.000 0.310 332 R C 0.884 177.136 176.300 -0.081 0.000 1.068 332 R CA -0.457 55.643 56.100 0.000 0.000 0.957 332 R CB 0.802 31.103 30.300 0.001 0.000 1.003 332 R HN 0.678 nan 8.270 nan 0.000 0.454 333 M N 1.430 120.841 119.600 -0.316 0.000 2.202 333 M HA -0.177 4.304 4.480 0.001 0.000 0.262 333 M C 2.187 178.230 176.300 -0.428 0.000 1.063 333 M CA 1.788 56.637 55.300 -0.752 0.000 1.097 333 M CB -1.015 30.400 32.600 -1.974 0.000 1.382 333 M HN 0.648 nan 8.290 nan 0.000 0.413 334 S N 0.270 115.916 115.700 -0.090 0.000 2.353 334 S HA -0.190 4.281 4.470 0.001 0.000 0.222 334 S C 1.758 176.418 174.600 0.100 0.000 1.035 334 S CA 1.545 59.842 58.200 0.161 0.000 1.025 334 S CB -0.689 62.609 63.200 0.163 0.000 0.902 334 S HN 0.568 nan 8.310 nan 0.000 0.440 335 E N 0.881 121.112 120.200 0.051 0.000 2.150 335 E HA 0.041 4.391 4.350 0.001 0.000 0.193 335 E C 2.065 178.700 176.600 0.058 0.000 0.985 335 E CA 1.037 57.471 56.400 0.056 0.000 0.814 335 E CB -0.302 29.427 29.700 0.050 0.000 0.752 335 E HN 0.591 nan 8.360 nan 0.000 0.466 336 I N 0.979 121.568 120.570 0.032 0.000 2.252 336 I HA -0.294 3.877 4.170 0.001 0.000 0.245 336 I C 2.768 178.941 176.117 0.094 0.000 1.102 336 I CA 1.147 62.463 61.300 0.026 0.000 1.385 336 I CB -0.254 37.701 38.000 -0.075 0.000 1.064 336 I HN 0.176 nan 8.210 nan 0.000 0.414 337 Q N 1.134 121.022 119.800 0.148 0.000 2.020 337 Q HA -0.243 4.097 4.340 0.001 0.000 0.202 337 Q C 2.351 178.433 176.000 0.137 0.000 0.982 337 Q CA 2.195 58.142 55.803 0.240 0.000 0.838 337 Q CB -0.130 28.831 28.738 0.373 0.000 0.899 337 Q HN 0.518 nan 8.270 nan 0.000 0.423 338 A N 1.063 123.951 122.820 0.114 0.000 1.917 338 A HA -0.201 4.119 4.320 0.001 0.000 0.219 338 A C 1.946 179.561 177.584 0.052 0.000 1.182 338 A CA 1.762 53.844 52.037 0.075 0.000 0.633 338 A CB -0.479 18.562 19.000 0.068 0.000 0.819 338 A HN 0.396 nan 8.150 nan 0.000 0.448 339 R N -0.602 119.928 120.500 0.051 0.000 2.310 339 R HA 0.305 4.645 4.340 0.001 0.000 0.202 339 R C 0.303 176.623 176.300 0.034 0.000 0.933 339 R CA 0.351 56.472 56.100 0.036 0.000 1.054 339 R CB -0.029 30.290 30.300 0.030 0.000 0.985 339 R HN 0.391 nan 8.270 nan 0.000 0.489 340 A N 1.951 124.794 122.820 0.038 0.000 2.366 340 A HA 0.264 4.584 4.320 0.001 0.000 0.322 340 A C -0.289 177.282 177.584 -0.023 0.000 1.397 340 A CA -0.447 51.605 52.037 0.025 0.000 0.984 340 A CB 0.243 19.264 19.000 0.035 0.000 1.149 340 A HN 0.026 nan 8.150 nan 0.000 0.540 341 K N 1.678 122.075 120.400 -0.005 0.000 2.098 341 K HA 0.312 4.632 4.320 0.001 0.000 0.258 341 K C -0.082 176.495 176.600 -0.038 0.000 0.973 341 K CA -0.783 55.493 56.287 -0.018 0.000 0.898 341 K CB 1.782 34.297 32.500 0.024 0.000 1.057 341 K HN 0.629 nan 8.250 nan 0.000 0.447 342 R N 1.347 121.814 120.500 -0.056 0.000 4.980 342 R HA 0.039 4.379 4.340 0.001 0.000 0.190 342 R C 0.234 176.665 176.300 0.219 0.000 2.095 342 R CA -0.097 56.000 56.100 -0.005 0.000 1.717 342 R CB -0.461 29.842 30.300 0.004 0.000 1.337 342 R HN 0.213 nan 8.270 nan 0.000 0.820 343 V N 0.141 120.222 119.914 0.279 0.000 2.743 343 V HA 0.177 4.297 4.120 0.001 0.000 0.301 343 V C 0.016 176.358 176.094 0.412 0.000 1.057 343 V CA -0.400 62.079 62.300 0.298 0.000 1.006 343 V CB 2.062 34.024 31.823 0.233 0.000 1.024 343 V HN 0.271 nan 8.190 nan 0.000 0.473 344 S N 6.644 122.537 115.700 0.322 0.000 2.464 344 S HA 0.278 4.748 4.470 0.001 0.000 0.313 344 S C 0.032 174.822 174.600 0.317 0.000 1.078 344 S CA -0.418 57.939 58.200 0.263 0.000 1.096 344 S CB -0.099 63.190 63.200 0.148 0.000 1.032 344 S HN 0.915 nan 8.310 nan 0.000 0.498 345 W N 3.707 125.046 121.300 0.065 0.000 4.332 345 W HA 0.158 4.819 4.660 0.001 0.000 0.205 345 W C 0.338 176.790 176.519 -0.111 0.000 0.907 345 W CA 0.100 57.451 57.345 0.010 0.000 2.184 345 W CB 0.089 29.586 29.460 0.062 0.000 0.933 345 W HN 0.560 nan 8.180 nan 0.000 0.867 346 D N 0.019 120.363 120.400 -0.092 0.000 2.277 346 D HA 0.099 4.740 4.640 0.001 0.000 0.209 346 D C -0.184 175.579 176.300 -0.895 0.000 0.970 346 D CA 0.871 54.517 54.000 -0.591 0.000 0.874 346 D CB 0.294 40.590 40.800 -0.841 0.000 0.982 346 D HN -0.137 nan 8.370 nan 0.000 0.504 347 F N 0.968 120.871 119.950 -0.078 0.000 2.538 347 F HA 0.379 4.907 4.527 0.001 0.000 0.325 347 F C 0.746 176.417 175.800 -0.214 0.000 1.066 347 F CA -1.106 56.752 58.000 -0.238 0.000 0.946 347 F CB 1.241 39.922 39.000 -0.532 0.000 1.199 347 F HN -0.565 nan 8.300 nan 0.000 0.473 348 K N 0.661 121.049 120.400 -0.021 0.000 2.237 348 K HA 0.564 4.885 4.320 0.001 0.000 0.270 348 K C -0.090 176.474 176.600 -0.061 0.000 1.015 348 K CA -0.430 55.832 56.287 -0.041 0.000 0.949 348 K CB 1.112 33.589 32.500 -0.038 0.000 0.976 348 K HN 0.835 nan 8.250 nan 0.000 0.472 349 T N -2.829 111.713 114.554 -0.021 0.000 2.865 349 T HA 0.507 4.858 4.350 0.001 0.000 0.294 349 T C 0.359 175.045 174.700 -0.023 0.000 1.119 349 T CA -0.796 61.310 62.100 0.011 0.000 1.007 349 T CB 1.770 70.695 68.868 0.094 0.000 1.225 349 T HN 0.432 nan 8.240 nan 0.000 0.515 350 A N 0.204 123.017 122.820 -0.012 0.000 2.195 350 A HA 0.174 4.495 4.320 0.001 0.000 0.210 350 A C 1.891 179.444 177.584 -0.051 0.000 1.165 350 A CA 0.613 52.627 52.037 -0.039 0.000 0.806 350 A CB -0.416 18.572 19.000 -0.020 0.000 0.847 350 A HN 0.874 nan 8.150 nan 0.000 0.482 351 E N -0.537 119.650 120.200 -0.023 0.000 2.415 351 E HA 0.124 4.474 4.350 0.001 0.000 0.197 351 E C 0.525 177.105 176.600 -0.033 0.000 1.007 351 E CA 0.752 57.142 56.400 -0.018 0.000 0.890 351 E CB -0.117 29.595 29.700 0.020 0.000 0.891 351 E HN 0.264 nan 8.360 nan 0.000 0.496 352 S N -0.444 115.227 115.700 -0.048 0.000 2.661 352 S HA 0.406 4.876 4.470 0.001 0.000 0.285 352 S C -1.201 173.324 174.600 -0.124 0.000 1.138 352 S CA -0.680 57.500 58.200 -0.034 0.000 0.855 352 S CB 1.168 64.409 63.200 0.069 0.000 1.136 352 S HN 0.196 nan 8.310 nan 0.000 0.484 353 H N 0.553 119.648 119.070 0.041 0.000 2.463 353 H HA 0.346 4.903 4.556 0.001 0.000 0.332 353 H C -0.109 175.223 175.328 0.007 0.000 1.127 353 H CA -0.346 55.711 56.048 0.015 0.000 1.238 353 H CB 0.992 30.758 29.762 0.006 0.000 1.478 353 H HN 0.665 nan 8.280 nan 0.000 0.499 354 c N 3.634 122.293 118.600 0.098 0.000 2.419 354 c HA -0.087 4.484 4.570 0.001 0.000 0.398 354 c C 0.993 175.023 174.090 -0.100 0.000 1.498 354 c CA 0.175 56.490 56.329 -0.023 0.000 1.494 354 c CB -1.700 40.760 42.510 -0.084 0.000 2.485 354 c HN 0.841 nan 8.230 nan 0.000 0.608 355 K N 2.036 122.340 120.400 -0.160 0.000 3.077 355 K HA -0.224 4.097 4.320 0.001 0.000 0.264 355 K C 0.357 176.959 176.600 0.003 0.000 1.008 355 K CA 0.976 57.050 56.287 -0.354 0.000 0.740 355 K CB -1.002 30.952 32.500 -0.909 0.000 1.273 355 K HN 0.844 nan 8.250 nan 0.000 0.477 356 E N -1.163 119.127 120.200 0.149 0.000 2.606 356 E HA 0.073 4.424 4.350 0.001 0.000 0.224 356 E C 1.146 177.855 176.600 0.181 0.000 0.930 356 E CA 0.322 56.810 56.400 0.146 0.000 1.125 356 E CB 0.891 30.662 29.700 0.118 0.000 1.123 356 E HN 0.469 nan 8.360 nan 0.000 0.522 357 G N 0.334 109.273 108.800 0.232 0.000 3.019 357 G HA2 0.125 4.085 3.960 0.001 0.000 0.152 357 G HA3 0.125 4.085 3.960 0.001 0.000 0.152 357 G C -0.206 174.808 174.900 0.191 0.000 1.320 357 G CA -0.438 44.774 45.100 0.186 0.000 1.013 357 G HN -0.091 nan 8.290 nan 0.000 0.593 358 D N 0.620 121.100 120.400 0.133 0.000 2.339 358 D HA 0.224 4.865 4.640 0.001 0.000 0.245 358 D C 0.289 176.574 176.300 -0.025 0.000 1.115 358 D CA 0.330 54.365 54.000 0.058 0.000 0.917 358 D CB 1.085 41.908 40.800 0.038 0.000 1.192 358 D HN 0.203 nan 8.370 nan 0.000 0.428 359 Q N 0.526 120.200 119.800 -0.210 0.000 2.256 359 Q HA 0.332 4.673 4.340 0.001 0.000 0.232 359 Q C -2.142 173.655 176.000 -0.339 0.000 0.965 359 Q CA -1.540 53.901 55.803 -0.603 0.000 0.908 359 Q CB 0.406 28.756 28.738 -0.648 0.000 1.209 359 Q HN 0.091 nan 8.270 nan 0.000 0.489 360 P HA 0.027 nan 4.420 nan 0.000 0.271 360 P C -1.028 176.254 177.300 -0.030 0.000 1.220 360 P CA 0.114 63.143 63.100 -0.118 0.000 0.768 360 P CB 0.507 32.162 31.700 -0.074 0.000 0.848 361 E N 2.857 123.057 120.200 -0.000 0.000 2.392 361 E HA 0.099 4.450 4.350 0.001 0.000 0.264 361 E C -0.078 176.516 176.600 -0.010 0.000 1.024 361 E CA -0.253 56.149 56.400 0.003 0.000 0.903 361 E CB 0.519 30.221 29.700 0.003 0.000 0.963 361 E HN 0.319 nan 8.360 nan 0.000 0.432 362 R N 0.874 121.335 120.500 -0.064 0.000 2.459 362 R HA 0.391 4.731 4.340 0.001 0.000 0.281 362 R C -0.685 175.560 176.300 -0.092 0.000 1.050 362 R CA -0.586 55.411 56.100 -0.172 0.000 1.055 362 R CB 0.638 30.698 30.300 -0.400 0.000 1.045 362 R HN 0.152 nan 8.270 nan 0.000 0.495 363 V N 2.383 122.266 119.914 -0.051 0.000 2.513 363 V HA 0.283 4.403 4.120 0.001 0.000 0.299 363 V C -0.383 175.799 176.094 0.147 0.000 1.035 363 V CA -0.985 61.353 62.300 0.064 0.000 0.889 363 V CB 1.766 33.666 31.823 0.127 0.000 0.988 363 V HN 0.582 nan 8.190 nan 0.000 0.440 364 Q N 5.132 124.970 119.800 0.064 0.000 2.256 364 Q HA 0.467 4.807 4.340 0.001 0.000 0.257 364 Q C -2.391 173.468 176.000 -0.236 0.000 0.936 364 Q CA -1.949 53.816 55.803 -0.064 0.000 0.903 364 Q CB 2.152 30.825 28.738 -0.108 0.000 1.263 364 Q HN 0.484 nan 8.270 nan 0.000 0.440 365 P HA 0.220 nan 4.420 nan 0.000 0.275 365 P C -0.100 176.890 177.300 -0.517 0.000 1.266 365 P CA -0.430 62.006 63.100 -1.106 0.000 0.793 365 P CB 0.915 31.760 31.700 -1.425 0.000 1.074 366 I N 0.981 121.298 120.570 -0.422 0.000 2.357 366 I HA -0.004 4.167 4.170 0.001 0.000 0.300 366 I C 1.953 177.920 176.117 -0.250 0.000 1.159 366 I CA -0.153 60.995 61.300 -0.254 0.000 1.339 366 I CB -0.128 37.761 38.000 -0.186 0.000 1.458 366 I HN 0.374 nan 8.210 nan 0.000 0.577 367 A N 4.471 127.147 122.820 -0.241 0.000 2.001 367 A HA -0.275 4.045 4.320 0.001 0.000 0.224 367 A C 2.388 179.850 177.584 -0.203 0.000 1.203 367 A CA 2.660 54.550 52.037 -0.244 0.000 0.667 367 A CB -0.524 18.348 19.000 -0.214 0.000 0.823 367 A HN 0.700 nan 8.150 nan 0.000 0.473 368 S N -0.091 115.515 115.700 -0.157 0.000 2.355 368 S HA -0.114 4.356 4.470 0.001 0.000 0.222 368 S C 2.159 176.689 174.600 -0.117 0.000 1.031 368 S CA 1.439 59.566 58.200 -0.122 0.000 0.993 368 S CB -0.403 62.738 63.200 -0.098 0.000 0.859 368 S HN 0.682 nan 8.310 nan 0.000 0.453 369 S N 1.236 116.857 115.700 -0.131 0.000 2.423 369 S HA -0.009 4.461 4.470 0.001 0.000 0.231 369 S C 0.894 175.426 174.600 -0.113 0.000 1.014 369 S CA 0.467 58.595 58.200 -0.119 0.000 0.965 369 S CB -0.525 62.596 63.200 -0.131 0.000 0.785 369 S HN 0.530 nan 8.310 nan 0.000 0.495 370 T N 3.013 117.482 114.554 -0.143 0.000 2.891 370 T HA 0.120 4.471 4.350 0.001 0.000 0.296 370 T C -0.462 174.205 174.700 -0.055 0.000 1.025 370 T CA 0.345 62.374 62.100 -0.118 0.000 1.149 370 T CB 0.146 68.912 68.868 -0.170 0.000 1.007 370 T HN 0.098 nan 8.240 nan 0.000 0.528 371 L N 5.651 126.866 121.223 -0.013 0.000 2.415 371 L HA 0.544 4.885 4.340 0.001 0.000 0.268 371 L C -0.720 176.192 176.870 0.071 0.000 0.984 371 L CA -0.400 54.455 54.840 0.026 0.000 0.853 371 L CB 0.897 42.972 42.059 0.026 0.000 1.215 371 L HN 0.599 nan 8.230 nan 0.000 0.419 372 I N 4.978 125.597 120.570 0.081 0.000 2.519 372 I HA 0.364 4.535 4.170 0.001 0.000 0.287 372 I C -0.106 176.092 176.117 0.135 0.000 1.047 372 I CA -0.273 61.089 61.300 0.103 0.000 1.381 372 I CB 0.874 38.927 38.000 0.088 0.000 1.417 372 I HN 0.620 nan 8.210 nan 0.000 0.540 373 H N 2.949 122.041 119.070 0.037 0.000 2.960 373 H HA 0.217 4.774 4.556 0.001 0.000 0.323 373 H C 0.032 175.380 175.328 0.032 0.000 1.326 373 H CA -0.228 55.840 56.048 0.033 0.000 1.124 373 H CB 2.203 31.985 29.762 0.032 0.000 1.853 373 H HN 0.547 nan 8.280 nan 0.000 0.536 374 S N -0.132 115.725 115.700 0.262 0.000 2.517 374 S HA 0.058 4.529 4.470 0.001 0.000 0.214 374 S C 0.211 174.966 174.600 0.258 0.000 0.991 374 S CA 0.653 58.973 58.200 0.200 0.000 0.906 374 S CB 0.327 63.565 63.200 0.063 0.000 0.789 374 S HN 0.512 nan 8.310 nan 0.000 0.513 375 D N 0.429 121.071 120.400 0.403 0.000 3.671 375 D HA 0.260 4.900 4.640 0.001 0.000 0.291 375 D C -0.776 175.494 176.300 -0.051 0.000 1.373 375 D CA -0.221 53.855 54.000 0.127 0.000 0.753 375 D CB -0.346 40.532 40.800 0.129 0.000 1.338 375 D HN 0.302 nan 8.370 nan 0.000 0.690 376 L N 0.143 121.297 121.223 -0.115 0.000 2.436 376 L HA 0.405 4.746 4.340 0.001 0.000 0.265 376 L C 1.542 178.377 176.870 -0.059 0.000 1.168 376 L CA 0.146 54.885 54.840 -0.168 0.000 0.815 376 L CB 1.540 43.517 42.059 -0.137 0.000 1.109 376 L HN 0.122 nan 8.230 nan 0.000 0.462 377 T N -1.293 113.238 114.554 -0.038 0.000 3.074 377 T HA 0.091 4.442 4.350 0.001 0.000 0.258 377 T C 0.099 174.812 174.700 0.021 0.000 0.891 377 T CA 0.125 62.224 62.100 -0.001 0.000 0.867 377 T CB 0.337 69.221 68.868 0.026 0.000 1.261 377 T HN 0.528 nan 8.240 nan 0.000 0.537 378 S N -0.060 115.653 115.700 0.022 0.000 2.618 378 S HA 0.843 5.313 4.470 0.001 0.000 0.277 378 S C -1.918 172.706 174.600 0.040 0.000 1.138 378 S CA -0.330 57.895 58.200 0.042 0.000 0.844 378 S CB 1.854 65.092 63.200 0.063 0.000 1.127 378 S HN 0.391 nan 8.310 nan 0.000 0.474 379 V N 3.114 123.061 119.914 0.055 0.000 3.098 379 V HA 0.784 4.904 4.120 0.001 0.000 0.294 379 V C -2.334 173.846 176.094 0.143 0.000 1.351 379 V CA -0.369 61.969 62.300 0.063 0.000 0.999 379 V CB 1.996 33.788 31.823 -0.050 0.000 1.104 379 V HN 1.046 nan 8.190 nan 0.000 0.438 380 Y N 3.750 124.080 120.300 0.051 0.000 2.552 380 Y HA 0.844 5.394 4.550 0.001 0.000 0.337 380 Y C -0.387 175.580 175.900 0.112 0.000 1.094 380 Y CA 0.242 58.386 58.100 0.073 0.000 1.028 380 Y CB 2.346 40.876 38.460 0.118 0.000 1.321 380 Y HN 1.086 nan 8.280 nan 0.000 0.456 381 G N 1.973 110.219 108.800 -0.924 0.000 2.720 381 G HA2 0.615 4.575 3.960 0.001 0.000 0.295 381 G HA3 0.615 4.575 3.960 0.001 0.000 0.295 381 G C -1.495 173.002 174.900 -0.673 0.000 1.437 381 G CA -0.265 44.469 45.100 -0.611 0.000 0.886 381 G HN 0.930 nan 8.290 nan 0.000 0.509 382 T N -2.704 111.665 114.554 -0.308 0.000 2.626 382 T HA 0.788 5.139 4.350 0.001 0.000 0.299 382 T C -0.710 173.955 174.700 -0.058 0.000 1.181 382 T CA -0.261 61.754 62.100 -0.141 0.000 1.053 382 T CB 1.161 70.034 68.868 0.009 0.000 1.566 382 T HN 1.750 nan 8.240 nan 0.000 0.486 383 V N -0.600 119.306 119.914 -0.014 0.000 2.656 383 V HA 0.811 4.931 4.120 0.001 0.000 0.307 383 V C 0.290 176.384 176.094 0.000 0.000 1.051 383 V CA -0.761 61.529 62.300 -0.016 0.000 0.893 383 V CB 1.123 32.936 31.823 -0.017 0.000 0.999 383 V HN 0.838 nan 8.190 nan 0.000 0.426 384 V N 3.593 123.486 119.914 -0.035 0.000 2.693 384 V HA 0.076 4.197 4.120 0.001 0.000 0.223 384 V C 1.963 178.037 176.094 -0.032 0.000 1.131 384 V CA 1.167 63.430 62.300 -0.060 0.000 1.177 384 V CB -0.339 31.351 31.823 -0.222 0.000 0.852 384 V HN 0.846 nan 8.190 nan 0.000 0.507 385 M N -0.014 119.566 119.600 -0.033 0.000 2.171 385 M HA 0.104 4.584 4.480 0.001 0.000 0.260 385 M C 1.391 177.691 176.300 -0.000 0.000 1.087 385 M CA 1.786 57.087 55.300 0.002 0.000 1.154 385 M CB -0.065 32.545 32.600 0.017 0.000 1.331 385 M HN 0.495 nan 8.290 nan 0.000 0.431 386 N N -0.692 118.001 118.700 -0.011 0.000 1.903 386 N HA 0.105 4.846 4.740 0.001 0.000 0.220 386 N C -1.004 174.493 175.510 -0.022 0.000 1.427 386 N CA -0.012 53.032 53.050 -0.010 0.000 0.697 386 N CB 0.637 39.122 38.487 -0.003 0.000 1.097 386 N HN -0.052 nan 8.380 nan 0.000 0.564 387 R N 0.329 120.809 120.500 -0.033 0.000 2.428 387 R HA 0.476 4.816 4.340 0.001 0.000 0.294 387 R C -0.038 176.229 176.300 -0.055 0.000 1.000 387 R CA -0.374 55.700 56.100 -0.044 0.000 0.960 387 R CB 1.038 31.309 30.300 -0.048 0.000 1.076 387 R HN 0.151 nan 8.270 nan 0.000 0.475 388 T N -0.855 113.661 114.554 -0.064 0.000 2.743 388 T HA 0.494 4.844 4.350 0.001 0.000 0.293 388 T C -0.052 174.584 174.700 -0.106 0.000 0.945 388 T CA -0.725 61.327 62.100 -0.081 0.000 1.030 388 T CB 0.658 69.475 68.868 -0.085 0.000 0.912 388 T HN 0.137 nan 8.240 nan 0.000 0.483 389 V N 4.633 124.477 119.914 -0.117 0.000 2.483 389 V HA 0.587 4.707 4.120 0.001 0.000 0.295 389 V C -0.407 175.531 176.094 -0.260 0.000 1.035 389 V CA -0.895 61.291 62.300 -0.190 0.000 0.896 389 V CB 1.281 33.033 31.823 -0.118 0.000 0.986 389 V HN 0.788 nan 8.190 nan 0.000 0.447 390 L N 4.858 125.866 121.223 -0.358 0.000 2.381 390 L HA 0.603 4.944 4.340 0.001 0.000 0.274 390 L C -0.878 175.766 176.870 -0.377 0.000 0.988 390 L CA 0.086 54.763 54.840 -0.273 0.000 0.824 390 L CB 1.699 43.654 42.059 -0.173 0.000 1.263 390 L HN 0.422 nan 8.230 nan 0.000 0.410 391 F N 4.106 124.097 119.950 0.069 0.000 2.427 391 F HA 0.667 5.195 4.527 0.001 0.000 0.346 391 F C -0.401 175.438 175.800 0.064 0.000 1.120 391 F CA -0.590 57.468 58.000 0.095 0.000 1.033 391 F CB 1.393 40.487 39.000 0.157 0.000 1.126 391 F HN 0.106 nan 8.300 nan 0.000 0.462 392 L N 2.464 123.796 121.223 0.182 0.000 2.362 392 L HA 0.818 5.158 4.340 0.001 0.000 0.271 392 L C 0.246 177.169 176.870 0.089 0.000 1.002 392 L CA -0.530 54.365 54.840 0.092 0.000 0.818 392 L CB 1.944 44.010 42.059 0.011 0.000 1.298 392 L HN 0.670 nan 8.230 nan 0.000 0.420 393 G N -0.331 108.504 108.800 0.058 0.000 2.432 393 G HA2 0.713 4.673 3.960 0.001 0.000 0.331 393 G HA3 0.713 4.673 3.960 0.001 0.000 0.331 393 G C -0.702 174.198 174.900 -0.001 0.000 1.170 393 G CA -0.263 44.872 45.100 0.058 0.000 0.943 393 G HN 0.617 nan 8.290 nan 0.000 0.483 394 T N -2.212 112.347 114.554 0.009 0.000 2.926 394 T HA 0.575 4.926 4.350 0.001 0.000 0.289 394 T C 1.307 176.027 174.700 0.033 0.000 1.054 394 T CA 0.146 62.230 62.100 -0.026 0.000 1.015 394 T CB 1.739 70.578 68.868 -0.049 0.000 1.167 394 T HN 0.767 nan 8.240 nan 0.000 0.526 395 G N -0.031 108.790 108.800 0.036 0.000 2.744 395 G HA2 0.031 3.992 3.960 0.001 0.000 0.211 395 G HA3 0.031 3.992 3.960 0.001 0.000 0.211 395 G C 0.786 175.727 174.900 0.067 0.000 1.143 395 G CA 0.509 45.643 45.100 0.058 0.000 0.788 395 G HN 0.916 nan 8.290 nan 0.000 0.534 396 D N -0.416 120.026 120.400 0.070 0.000 2.363 396 D HA 0.170 4.810 4.640 0.001 0.000 0.214 396 D C 1.399 177.741 176.300 0.071 0.000 1.093 396 D CA 0.283 54.325 54.000 0.070 0.000 0.837 396 D CB -0.122 40.724 40.800 0.076 0.000 0.948 396 D HN 0.317 nan 8.370 nan 0.000 0.507 397 G N 1.123 109.972 108.800 0.081 0.000 2.171 397 G HA2 -0.258 3.703 3.960 0.001 0.000 0.238 397 G HA3 -0.258 3.703 3.960 0.001 0.000 0.238 397 G C -0.253 174.713 174.900 0.110 0.000 1.039 397 G CA -0.273 44.886 45.100 0.099 0.000 0.759 397 G HN 0.411 nan 8.290 nan 0.000 0.501 398 Q N -0.827 119.033 119.800 0.100 0.000 2.306 398 Q HA 0.684 5.024 4.340 0.001 0.000 0.265 398 Q C -0.382 175.695 176.000 0.128 0.000 1.022 398 Q CA -0.952 54.916 55.803 0.109 0.000 0.853 398 Q CB 2.476 31.267 28.738 0.089 0.000 1.327 398 Q HN 0.218 nan 8.270 nan 0.000 0.449 399 L N 4.599 125.922 121.223 0.166 0.000 2.337 399 L HA 0.436 4.777 4.340 0.001 0.000 0.269 399 L C -1.221 175.760 176.870 0.184 0.000 1.018 399 L CA -0.244 54.706 54.840 0.183 0.000 0.876 399 L CB 0.213 42.400 42.059 0.213 0.000 1.236 399 L HN 0.647 nan 8.230 nan 0.000 0.436 400 L N 4.094 125.404 121.223 0.145 0.000 2.454 400 L HA 0.540 4.881 4.340 0.001 0.000 0.256 400 L C -0.008 176.929 176.870 0.112 0.000 1.136 400 L CA -0.599 54.310 54.840 0.116 0.000 0.804 400 L CB 0.811 42.914 42.059 0.074 0.000 1.181 400 L HN 0.506 nan 8.230 nan 0.000 0.469 401 K N 0.865 121.289 120.400 0.040 0.000 2.565 401 K HA 0.548 4.869 4.320 0.001 0.000 0.251 401 K C -1.666 174.884 176.600 -0.084 0.000 0.956 401 K CA -0.577 55.658 56.287 -0.086 0.000 0.809 401 K CB 2.158 34.618 32.500 -0.065 0.000 1.267 401 K HN 0.461 nan 8.250 nan 0.000 0.438 402 V N 1.194 121.025 119.914 -0.139 0.000 2.769 402 V HA 0.723 4.843 4.120 0.001 0.000 0.312 402 V C -0.875 175.147 176.094 -0.120 0.000 1.061 402 V CA -0.924 61.320 62.300 -0.093 0.000 0.931 402 V CB 1.509 33.290 31.823 -0.070 0.000 1.010 402 V HN 0.613 nan 8.190 nan 0.000 0.433 403 I N 4.439 124.962 120.570 -0.078 0.000 2.418 403 I HA 0.532 4.703 4.170 0.001 0.000 0.287 403 I C -0.446 175.633 176.117 -0.064 0.000 1.008 403 I CA -0.492 60.763 61.300 -0.076 0.000 1.104 403 I CB 1.530 39.501 38.000 -0.049 0.000 1.264 403 I HN 0.497 nan 8.210 nan 0.000 0.438 404 L N 5.498 126.678 121.223 -0.071 0.000 2.331 404 L HA 0.555 4.895 4.340 0.001 0.000 0.278 404 L C 1.109 177.948 176.870 -0.053 0.000 1.106 404 L CA 0.454 55.256 54.840 -0.064 0.000 0.824 404 L CB 0.638 42.653 42.059 -0.072 0.000 1.142 404 L HN 0.767 nan 8.230 nan 0.000 0.443 405 G N 1.401 110.173 108.800 -0.048 0.000 2.468 405 G HA2 0.063 4.023 3.960 0.001 0.000 0.264 405 G HA3 0.063 4.023 3.960 0.001 0.000 0.264 405 G C 0.675 175.551 174.900 -0.040 0.000 1.460 405 G CA -0.057 45.019 45.100 -0.041 0.000 1.060 405 G HN 0.666 nan 8.290 nan 0.000 0.543 406 E N -0.424 119.755 120.200 -0.036 0.000 2.107 406 E HA -0.057 4.294 4.350 0.001 0.000 0.191 406 E C 1.929 178.508 176.600 -0.035 0.000 0.982 406 E CA 1.131 57.512 56.400 -0.032 0.000 0.809 406 E CB -0.195 29.488 29.700 -0.029 0.000 0.756 406 E HN 0.554 nan 8.360 nan 0.000 0.459 407 N N -0.052 118.625 118.700 -0.039 0.000 2.322 407 N HA 0.087 4.828 4.740 0.001 0.000 0.216 407 N C -0.599 174.879 175.510 -0.053 0.000 1.144 407 N CA 0.007 53.031 53.050 -0.044 0.000 0.830 407 N CB 0.343 38.803 38.487 -0.044 0.000 1.034 407 N HN 0.001 nan 8.380 nan 0.000 0.484 408 L N -0.115 121.077 121.223 -0.053 0.000 4.179 408 L HA -0.230 4.111 4.340 0.001 0.000 0.418 408 L C 0.501 177.329 176.870 -0.070 0.000 1.168 408 L CA 1.043 55.845 54.840 -0.063 0.000 0.972 408 L CB -3.078 38.940 42.059 -0.068 0.000 2.005 408 L HN 0.312 nan 8.230 nan 0.000 0.935 409 T N -2.916 111.601 114.554 -0.062 0.000 2.901 409 T HA 0.478 4.829 4.350 0.001 0.000 0.301 409 T C 0.767 175.433 174.700 -0.058 0.000 1.012 409 T CA -0.067 61.996 62.100 -0.062 0.000 1.135 409 T CB 1.303 70.140 68.868 -0.052 0.000 0.936 409 T HN 0.450 nan 8.240 nan 0.000 0.539 410 S N 3.787 119.452 115.700 -0.058 0.000 2.439 410 S HA 0.262 4.732 4.470 0.001 0.000 0.282 410 S C 0.151 174.729 174.600 -0.035 0.000 1.170 410 S CA -1.063 57.107 58.200 -0.050 0.000 1.054 410 S CB 0.010 63.180 63.200 -0.049 0.000 0.956 410 S HN 0.703 nan 8.310 nan 0.000 0.490 411 N N 1.322 120.003 118.700 -0.033 0.000 2.327 411 N HA 0.209 4.949 4.740 0.001 0.000 0.257 411 N C -0.067 175.437 175.510 -0.010 0.000 1.281 411 N CA -0.401 52.637 53.050 -0.021 0.000 0.942 411 N CB 0.595 39.070 38.487 -0.021 0.000 1.199 411 N HN 0.665 nan 8.380 nan 0.000 0.532 412 C N 2.478 121.777 119.300 -0.001 0.000 2.634 412 C HA 0.117 4.578 4.460 0.001 0.000 0.418 412 C C -1.585 173.415 174.990 0.018 0.000 1.373 412 C CA -0.944 58.080 59.018 0.010 0.000 1.756 412 C CB -0.519 27.229 27.740 0.012 0.000 2.589 412 C HN 0.471 nan 8.230 nan 0.000 0.602 413 P HA 0.156 nan 4.420 nan 0.000 0.276 413 P C -0.466 176.863 177.300 0.050 0.000 1.243 413 P CA 0.279 63.403 63.100 0.040 0.000 0.768 413 P CB 0.639 32.380 31.700 0.068 0.000 0.856 414 E N 2.338 122.567 120.200 0.047 0.000 2.283 414 E HA 0.309 4.659 4.350 0.001 0.000 0.271 414 E C -0.894 175.753 176.600 0.078 0.000 1.031 414 E CA -0.892 55.544 56.400 0.060 0.000 0.868 414 E CB 1.246 30.985 29.700 0.065 0.000 1.094 414 E HN 0.156 nan 8.360 nan 0.000 0.401 415 V N 5.296 125.256 119.914 0.077 0.000 2.370 415 V HA 0.133 4.254 4.120 0.001 0.000 0.279 415 V C 0.545 176.701 176.094 0.105 0.000 1.029 415 V CA -0.212 62.142 62.300 0.091 0.000 0.870 415 V CB 1.157 33.020 31.823 0.067 0.000 0.984 415 V HN 0.667 nan 8.190 nan 0.000 0.451 416 I N 4.151 124.813 120.570 0.153 0.000 3.339 416 I HA 0.243 4.413 4.170 0.001 0.000 0.285 416 I C 0.131 176.392 176.117 0.239 0.000 1.201 416 I CA 0.745 62.157 61.300 0.186 0.000 1.434 416 I CB 0.042 38.181 38.000 0.232 0.000 1.152 416 I HN 0.612 nan 8.210 nan 0.000 0.443 417 Y N -0.004 120.342 120.300 0.076 0.000 2.638 417 Y HA 0.590 5.141 4.550 0.001 0.000 0.335 417 Y C -1.388 174.547 175.900 0.058 0.000 1.155 417 Y CA -1.198 56.938 58.100 0.060 0.000 1.046 417 Y CB 1.595 40.088 38.460 0.056 0.000 1.303 417 Y HN -0.060 nan 8.280 nan 0.000 0.460 418 E N 3.802 123.669 120.200 -0.555 0.000 2.304 418 E HA 0.415 4.765 4.350 0.001 0.000 0.277 418 E C -1.501 174.895 176.600 -0.341 0.000 0.898 418 E CA -0.684 55.558 56.400 -0.262 0.000 0.764 418 E CB 2.412 32.003 29.700 -0.181 0.000 1.216 418 E HN 0.507 nan 8.360 nan 0.000 0.419 419 I N 3.831 124.396 120.570 -0.008 0.000 2.322 419 I HA 0.055 4.226 4.170 0.001 0.000 0.292 419 I C 1.319 177.444 176.117 0.013 0.000 1.060 419 I CA -0.006 61.340 61.300 0.077 0.000 1.309 419 I CB 0.546 38.638 38.000 0.153 0.000 1.415 419 I HN 0.434 nan 8.210 nan 0.000 0.492 420 K N 3.923 124.318 120.400 -0.008 0.000 2.218 420 K HA -0.205 4.115 4.320 0.001 0.000 0.205 420 K C 0.949 177.558 176.600 0.015 0.000 1.046 420 K CA 1.457 57.739 56.287 -0.009 0.000 0.933 420 K CB 0.019 32.515 32.500 -0.007 0.000 0.728 420 K HN 0.522 nan 8.250 nan 0.000 0.454 421 E N 0.481 120.702 120.200 0.034 0.000 2.479 421 E HA 0.008 4.359 4.350 0.001 0.000 0.193 421 E C -0.602 176.024 176.600 0.043 0.000 1.049 421 E CA 0.079 56.501 56.400 0.037 0.000 0.870 421 E CB 0.200 29.925 29.700 0.042 0.000 0.944 421 E HN 0.161 nan 8.360 nan 0.000 0.492 422 E N 0.038 120.266 120.200 0.047 0.000 2.416 422 E HA -0.162 4.189 4.350 0.001 0.000 0.249 422 E C -0.798 175.842 176.600 0.066 0.000 1.124 422 E CA 0.533 56.965 56.400 0.054 0.000 0.732 422 E CB -2.002 27.725 29.700 0.045 0.000 1.286 422 E HN 0.118 nan 8.360 nan 0.000 0.394 423 T N 2.625 117.225 114.554 0.077 0.000 2.752 423 T HA 0.216 4.566 4.350 0.001 0.000 0.295 423 T C -1.905 172.854 174.700 0.099 0.000 0.923 423 T CA -1.014 61.137 62.100 0.085 0.000 1.112 423 T CB 0.743 69.663 68.868 0.088 0.000 0.884 423 T HN 0.051 nan 8.240 nan 0.000 0.525 424 P HA 0.018 nan 4.420 nan 0.000 0.262 424 P C -0.201 177.181 177.300 0.136 0.000 1.182 424 P CA -0.166 62.997 63.100 0.104 0.000 0.761 424 P CB 0.359 32.117 31.700 0.096 0.000 0.795 425 V N 5.257 125.250 119.914 0.131 0.000 2.637 425 V HA 0.000 4.121 4.120 0.001 0.000 0.296 425 V C 0.981 177.205 176.094 0.216 0.000 1.046 425 V CA -0.160 62.238 62.300 0.163 0.000 1.066 425 V CB -0.582 31.318 31.823 0.129 0.000 0.968 425 V HN 0.413 nan 8.190 nan 0.000 0.483 426 F N 5.626 125.624 119.950 0.079 0.000 2.602 426 F HA 0.096 4.624 4.527 0.001 0.000 0.367 426 F C 1.237 177.089 175.800 0.086 0.000 1.126 426 F CA -0.777 57.279 58.000 0.093 0.000 1.321 426 F CB 0.295 39.311 39.000 0.027 0.000 1.094 426 F HN 0.657 nan 8.300 nan 0.000 0.594 427 Y N 1.757 121.740 120.300 -0.528 0.000 2.716 427 Y HA 0.144 4.694 4.550 0.001 0.000 0.302 427 Y C -0.146 175.610 175.900 -0.240 0.000 1.160 427 Y CA 0.106 57.996 58.100 -0.350 0.000 1.362 427 Y CB -0.613 37.630 38.460 -0.361 0.000 0.988 427 Y HN 0.285 nan 8.280 nan 0.000 0.546 428 K N 1.763 121.813 120.400 -0.583 0.000 2.463 428 K HA 0.504 4.824 4.320 0.001 0.000 0.255 428 K C -1.516 175.086 176.600 0.003 0.000 0.942 428 K CA -0.640 55.478 56.287 -0.281 0.000 0.814 428 K CB 2.147 34.436 32.500 -0.351 0.000 1.122 428 K HN 0.128 nan 8.250 nan 0.000 0.425 429 L N 3.606 124.830 121.223 0.000 0.000 2.298 429 L HA 0.449 4.789 4.340 0.001 0.000 0.284 429 L C -0.592 176.174 176.870 -0.174 0.000 1.013 429 L CA -1.196 53.627 54.840 -0.028 0.000 0.824 429 L CB 1.724 43.798 42.059 0.025 0.000 1.221 429 L HN 0.251 nan 8.230 nan 0.000 0.418 430 V N 4.828 124.652 119.914 -0.150 0.000 2.398 430 V HA 0.376 4.496 4.120 0.001 0.000 0.286 430 V C -1.975 173.986 176.094 -0.222 0.000 1.026 430 V CA -1.723 60.462 62.300 -0.192 0.000 0.868 430 V CB 1.491 33.287 31.823 -0.046 0.000 0.982 430 V HN 0.577 nan 8.190 nan 0.000 0.443 431 P HA 0.121 nan 4.420 nan 0.000 0.275 431 P C -0.801 176.468 177.300 -0.052 0.000 1.227 431 P CA -0.243 62.659 63.100 -0.329 0.000 0.781 431 P CB 1.031 32.519 31.700 -0.354 0.000 0.906 432 D N 4.226 124.575 120.400 -0.084 0.000 2.338 432 D HA 0.058 4.698 4.640 0.001 0.000 0.255 432 D C -1.067 175.219 176.300 -0.023 0.000 1.237 432 D CA -2.160 51.857 54.000 0.029 0.000 0.883 432 D CB 0.544 41.246 40.800 -0.163 0.000 1.087 432 D HN 0.231 nan 8.370 nan 0.000 0.485 433 P HA -0.087 nan 4.420 nan 0.000 0.229 433 P C 1.122 178.348 177.300 -0.125 0.000 1.160 433 P CA 0.305 63.380 63.100 -0.042 0.000 0.777 433 P CB 0.661 32.363 31.700 0.003 0.000 0.814 434 V N -0.233 119.534 119.914 -0.243 0.000 2.391 434 V HA 0.059 4.179 4.120 0.001 0.000 0.237 434 V C 0.882 176.873 176.094 -0.170 0.000 1.046 434 V CA 1.366 63.497 62.300 -0.282 0.000 1.053 434 V CB -0.739 30.762 31.823 -0.537 0.000 0.704 434 V HN -0.039 nan 8.190 nan 0.000 0.475 435 K N 1.726 122.044 120.400 -0.136 0.000 2.266 435 K HA 0.321 4.642 4.320 0.001 0.000 0.274 435 K C 0.695 177.203 176.600 -0.152 0.000 1.090 435 K CA 0.027 56.256 56.287 -0.096 0.000 0.925 435 K CB -0.183 32.369 32.500 0.087 0.000 1.225 435 K HN 0.282 nan 8.250 nan 0.000 0.458 436 N N 1.985 120.581 118.700 -0.173 0.000 2.417 436 N HA -0.174 4.567 4.740 0.001 0.000 0.187 436 N C 1.098 176.444 175.510 -0.274 0.000 1.027 436 N CA 0.872 53.825 53.050 -0.160 0.000 0.891 436 N CB -0.239 38.182 38.487 -0.110 0.000 0.956 436 N HN 0.587 nan 8.380 nan 0.000 0.442 437 I N -3.393 116.883 120.570 -0.489 0.000 3.793 437 I HA 0.137 4.307 4.170 0.001 0.000 0.315 437 I C -0.420 175.222 176.117 -0.792 0.000 1.275 437 I CA -0.023 60.787 61.300 -0.817 0.000 1.214 437 I CB -0.034 37.204 38.000 -1.270 0.000 1.018 437 I HN -0.155 nan 8.210 nan 0.000 0.439 438 Y N 1.176 121.223 120.300 -0.422 0.000 2.567 438 Y HA 0.735 5.286 4.550 0.001 0.000 0.333 438 Y C -0.172 175.407 175.900 -0.535 0.000 1.106 438 Y CA -1.470 56.350 58.100 -0.467 0.000 1.157 438 Y CB 1.854 40.018 38.460 -0.494 0.000 1.277 438 Y HN -0.108 nan 8.280 nan 0.000 0.490 439 I N 1.718 122.044 120.570 -0.406 0.000 2.680 439 I HA 0.240 4.410 4.170 0.001 0.000 0.291 439 I C -1.865 173.949 176.117 -0.506 0.000 1.244 439 I CA -1.179 59.818 61.300 -0.505 0.000 1.042 439 I CB 1.464 39.085 38.000 -0.632 0.000 1.277 439 I HN 0.530 nan 8.210 nan 0.000 0.423 440 Y N 6.714 126.879 120.300 -0.224 0.000 2.336 440 Y HA 0.392 4.943 4.550 0.001 0.000 0.335 440 Y C 0.219 176.026 175.900 -0.155 0.000 1.046 440 Y CA -0.176 57.816 58.100 -0.181 0.000 1.198 440 Y CB 1.070 39.435 38.460 -0.159 0.000 1.182 440 Y HN 0.414 nan 8.280 nan 0.000 0.502 441 L N 4.001 125.219 121.223 -0.008 0.000 2.313 441 L HA 0.616 4.956 4.340 0.001 0.000 0.283 441 L C -0.667 176.226 176.870 0.039 0.000 1.013 441 L CA -0.140 54.701 54.840 0.001 0.000 0.816 441 L CB 1.078 43.110 42.059 -0.044 0.000 1.236 441 L HN 0.592 nan 8.230 nan 0.000 0.419 442 T N 3.881 118.480 114.554 0.074 0.000 2.856 442 T HA 0.859 5.210 4.350 0.001 0.000 0.283 442 T C -0.784 173.990 174.700 0.123 0.000 1.008 442 T CA -0.550 61.583 62.100 0.055 0.000 0.997 442 T CB 1.723 70.566 68.868 -0.043 0.000 0.992 442 T HN 0.747 nan 8.240 nan 0.000 0.454 443 A N 1.373 124.247 122.820 0.091 0.000 2.512 443 A HA 0.766 5.087 4.320 0.001 0.000 0.294 443 A C 0.693 178.334 177.584 0.095 0.000 1.054 443 A CA -0.026 52.090 52.037 0.131 0.000 0.756 443 A CB 0.752 19.830 19.000 0.130 0.000 1.293 443 A HN 1.455 nan 8.150 nan 0.000 0.395 444 G N 2.428 111.296 108.800 0.113 0.000 2.793 444 G HA2 -0.356 3.604 3.960 0.001 0.000 0.334 444 G HA3 -0.356 3.604 3.960 0.001 0.000 0.334 444 G C 0.640 175.571 174.900 0.052 0.000 1.186 444 G CA 1.263 46.415 45.100 0.087 0.000 0.960 444 G HN 1.219 nan 8.290 nan 0.000 0.562 445 K N 1.520 121.944 120.400 0.041 0.000 2.506 445 K HA 0.361 4.681 4.320 0.001 0.000 0.204 445 K C -0.171 176.445 176.600 0.027 0.000 1.045 445 K CA 0.077 56.379 56.287 0.025 0.000 1.074 445 K CB 1.212 33.712 32.500 -0.000 0.000 0.842 445 K HN 0.603 nan 8.250 nan 0.000 0.514 446 E N 0.988 121.219 120.200 0.051 0.000 2.293 446 E HA 0.371 4.721 4.350 0.001 0.000 0.270 446 E C -1.163 175.496 176.600 0.099 0.000 0.879 446 E CA -0.956 55.492 56.400 0.080 0.000 0.756 446 E CB 2.979 32.708 29.700 0.048 0.000 1.208 446 E HN -0.187 nan 8.360 nan 0.000 0.428 447 V N 2.506 122.514 119.914 0.157 0.000 2.495 447 V HA 0.521 4.641 4.120 0.001 0.000 0.298 447 V C -0.212 175.934 176.094 0.087 0.000 1.031 447 V CA -0.721 61.640 62.300 0.101 0.000 0.871 447 V CB 1.479 33.343 31.823 0.068 0.000 0.988 447 V HN 0.576 nan 8.190 nan 0.000 0.432 448 R N 2.681 123.197 120.500 0.026 0.000 2.807 448 R HA 0.609 4.950 4.340 0.001 0.000 0.276 448 R C -0.540 175.690 176.300 -0.117 0.000 0.979 448 R CA -0.965 55.095 56.100 -0.067 0.000 0.928 448 R CB 2.582 32.766 30.300 -0.193 0.000 1.191 448 R HN 0.569 nan 8.270 nan 0.000 0.471 449 R N 2.751 123.120 120.500 -0.219 0.000 2.666 449 R HA 0.255 4.596 4.340 0.001 0.000 0.275 449 R C -0.811 175.279 176.300 -0.350 0.000 1.266 449 R CA -0.441 55.401 56.100 -0.430 0.000 1.401 449 R CB 0.037 30.000 30.300 -0.562 0.000 1.145 449 R HN 0.411 nan 8.270 nan 0.000 0.581 450 I N 2.064 122.464 120.570 -0.284 0.000 2.662 450 I HA 0.239 4.409 4.170 0.001 0.000 0.291 450 I C 0.920 177.046 176.117 0.014 0.000 1.046 450 I CA -0.307 60.894 61.300 -0.166 0.000 1.361 450 I CB 0.914 38.769 38.000 -0.243 0.000 1.429 450 I HN 0.296 nan 8.210 nan 0.000 0.558 451 R N 3.030 123.571 120.500 0.069 0.000 2.438 451 R HA 0.180 4.520 4.340 0.001 0.000 0.287 451 R C 1.203 177.480 176.300 -0.038 0.000 1.077 451 R CA -0.236 55.853 56.100 -0.018 0.000 1.034 451 R CB 0.874 31.223 30.300 0.081 0.000 0.993 451 R HN 0.652 nan 8.270 nan 0.000 0.459 452 V N 0.925 120.729 119.914 -0.184 0.000 2.828 452 V HA 0.061 4.182 4.120 0.001 0.000 0.260 452 V C 0.527 176.725 176.094 0.173 0.000 1.101 452 V CA 1.421 63.655 62.300 -0.109 0.000 1.123 452 V CB -0.880 30.665 31.823 -0.463 0.000 0.704 452 V HN 0.710 nan 8.190 nan 0.000 0.493 453 A N 0.914 123.881 122.820 0.245 0.000 2.582 453 A HA 0.649 4.969 4.320 0.001 0.000 0.297 453 A C -1.099 176.622 177.584 0.228 0.000 1.059 453 A CA -0.423 51.781 52.037 0.277 0.000 0.705 453 A CB 0.625 19.824 19.000 0.331 0.000 1.279 453 A HN 0.512 nan 8.150 nan 0.000 0.404 454 N N 1.200 119.975 118.700 0.125 0.000 2.645 454 N HA 0.351 5.092 4.740 0.001 0.000 0.233 454 N C 0.399 175.889 175.510 -0.033 0.000 1.058 454 N CA -0.474 52.603 53.050 0.045 0.000 0.942 454 N CB 0.489 39.003 38.487 0.046 0.000 1.210 454 N HN 0.442 nan 8.380 nan 0.000 0.512 455 c N 0.466 118.998 118.600 -0.114 0.000 2.500 455 c HA 0.051 4.622 4.570 0.001 0.000 0.273 455 c C 2.162 176.213 174.090 -0.066 0.000 1.428 455 c CA -0.112 56.159 56.329 -0.097 0.000 1.766 455 c CB -1.592 40.779 42.510 -0.233 0.000 1.817 455 c HN 0.784 nan 8.230 nan 0.000 0.543 456 N N 2.038 120.691 118.700 -0.078 0.000 2.520 456 N HA -0.120 4.620 4.740 0.001 0.000 0.185 456 N C 1.782 177.257 175.510 -0.058 0.000 1.068 456 N CA 0.837 53.860 53.050 -0.045 0.000 0.911 456 N CB -0.251 38.219 38.487 -0.029 0.000 0.961 456 N HN 0.688 nan 8.380 nan 0.000 0.446 457 K N -1.518 118.797 120.400 -0.141 0.000 2.504 457 K HA -0.063 4.257 4.320 0.001 0.000 0.195 457 K C -0.295 176.119 176.600 -0.309 0.000 1.036 457 K CA 0.721 56.864 56.287 -0.242 0.000 0.984 457 K CB -0.108 32.184 32.500 -0.346 0.000 0.788 457 K HN 0.235 nan 8.250 nan 0.000 0.488 458 H N 0.820 119.902 119.070 0.020 0.000 2.505 458 H HA 0.250 4.807 4.556 0.001 0.000 0.338 458 H C -0.178 175.186 175.328 0.060 0.000 1.057 458 H CA -0.740 55.327 56.048 0.031 0.000 1.202 458 H CB 2.217 31.997 29.762 0.029 0.000 1.466 458 H HN -0.041 nan 8.280 nan 0.000 0.499 459 K N 0.833 121.346 120.400 0.188 0.000 2.262 459 K HA 0.054 4.374 4.320 0.001 0.000 0.200 459 K C 0.874 177.580 176.600 0.178 0.000 1.058 459 K CA 0.165 56.548 56.287 0.160 0.000 0.974 459 K CB 0.483 33.045 32.500 0.104 0.000 0.910 459 K HN 0.301 nan 8.250 nan 0.000 0.484 460 S N -0.054 115.699 115.700 0.089 0.000 2.565 460 S HA 0.032 4.503 4.470 0.001 0.000 0.274 460 S C 1.413 175.922 174.600 -0.152 0.000 1.309 460 S CA -0.619 57.563 58.200 -0.029 0.000 1.043 460 S CB 0.719 63.882 63.200 -0.061 0.000 0.939 460 S HN 0.408 nan 8.310 nan 0.000 0.504 461 c N 4.156 122.463 118.600 -0.487 0.000 2.413 461 c HA -0.063 4.507 4.570 0.001 0.000 0.277 461 c C 2.793 176.630 174.090 -0.422 0.000 1.228 461 c CA 1.832 57.647 56.329 -0.855 0.000 1.731 461 c CB -1.629 40.017 42.510 -1.440 0.000 2.042 461 c HN 0.964 nan 8.230 nan 0.000 0.468 462 S N -0.137 115.362 115.700 -0.336 0.000 2.383 462 S HA -0.184 4.287 4.470 0.001 0.000 0.227 462 S C 1.826 176.301 174.600 -0.209 0.000 1.026 462 S CA 1.467 59.525 58.200 -0.236 0.000 0.981 462 S CB -0.565 62.521 63.200 -0.191 0.000 0.818 462 S HN 0.815 nan 8.310 nan 0.000 0.472 463 E N -0.077 120.007 120.200 -0.194 0.000 2.160 463 E HA -0.213 4.138 4.350 0.001 0.000 0.195 463 E C 2.116 178.452 176.600 -0.441 0.000 0.991 463 E CA 1.200 57.475 56.400 -0.207 0.000 0.810 463 E CB -0.120 29.531 29.700 -0.083 0.000 0.742 463 E HN 0.527 nan 8.360 nan 0.000 0.466 464 c N -0.220 118.165 118.600 -0.359 0.000 2.564 464 c HA 0.149 4.719 4.570 0.001 0.000 0.281 464 c C 2.355 176.285 174.090 -0.267 0.000 1.314 464 c CA -0.034 56.050 56.329 -0.409 0.000 1.706 464 c CB -0.857 41.618 42.510 -0.058 0.000 2.109 464 c HN 0.454 nan 8.230 nan 0.000 0.502 465 L N 1.539 122.648 121.223 -0.190 0.000 2.633 465 L HA -0.027 4.313 4.340 0.001 0.000 0.235 465 L C 2.244 179.030 176.870 -0.141 0.000 1.163 465 L CA 1.605 56.354 54.840 -0.152 0.000 0.859 465 L CB -0.645 41.326 42.059 -0.147 0.000 0.973 465 L HN 0.648 nan 8.230 nan 0.000 0.451 466 T N -4.815 109.637 114.554 -0.169 0.000 3.037 466 T HA 0.176 4.526 4.350 0.001 0.000 0.251 466 T C 1.798 176.430 174.700 -0.113 0.000 1.079 466 T CA 0.478 62.499 62.100 -0.131 0.000 1.067 466 T CB 0.266 69.056 68.868 -0.130 0.000 0.948 466 T HN 0.218 nan 8.240 nan 0.000 0.496 467 A N 1.606 124.340 122.820 -0.144 0.000 2.168 467 A HA 0.273 4.593 4.320 0.001 0.000 0.215 467 A C 1.192 178.761 177.584 -0.026 0.000 1.152 467 A CA 0.847 52.842 52.037 -0.071 0.000 0.716 467 A CB -1.098 17.875 19.000 -0.045 0.000 0.794 467 A HN 0.551 nan 8.150 nan 0.000 0.465 468 T N 0.254 114.782 114.554 -0.043 0.000 3.501 468 T HA -0.165 4.186 4.350 0.001 0.000 0.411 468 T C -0.681 174.020 174.700 0.001 0.000 0.766 468 T CA 1.280 63.364 62.100 -0.027 0.000 2.129 468 T CB -1.444 67.406 68.868 -0.029 0.000 1.711 468 T HN 0.723 nan 8.240 nan 0.000 0.712 469 D N 1.580 121.994 120.400 0.022 0.000 2.469 469 D HA 0.397 5.038 4.640 0.001 0.000 0.251 469 D C -0.989 175.356 176.300 0.075 0.000 1.173 469 D CA -2.170 51.874 54.000 0.073 0.000 0.882 469 D CB 1.519 42.404 40.800 0.141 0.000 1.129 469 D HN 0.032 nan 8.370 nan 0.000 0.549 470 P HA -0.200 nan 4.420 nan 0.000 0.222 470 P C 0.686 178.020 177.300 0.058 0.000 1.142 470 P CA 1.103 64.189 63.100 -0.023 0.000 0.788 470 P CB 0.293 31.905 31.700 -0.148 0.000 0.767 471 H N -1.247 117.997 119.070 0.289 0.000 2.465 471 H HA 0.097 4.653 4.556 0.001 0.000 0.289 471 H C 0.771 176.426 175.328 0.546 0.000 1.022 471 H CA 0.204 56.519 56.048 0.445 0.000 1.340 471 H CB -0.332 29.719 29.762 0.482 0.000 1.437 471 H HN 0.183 nan 8.280 nan 0.000 0.539 472 c N 1.523 120.364 118.600 0.402 0.000 2.401 472 c HA 0.690 5.261 4.570 0.001 0.000 0.365 472 c C 1.126 175.221 174.090 0.009 0.000 1.250 472 c CA -0.439 56.004 56.329 0.191 0.000 2.131 472 c CB 0.751 43.319 42.510 0.096 0.000 2.445 472 c HN 0.553 nan 8.230 nan 0.000 0.550 473 G N 1.662 110.334 108.800 -0.214 0.000 2.760 473 G HA2 0.460 4.420 3.960 0.001 0.000 0.296 473 G HA3 0.460 4.420 3.960 0.001 0.000 0.296 473 G C -1.485 173.021 174.900 -0.656 0.000 1.427 473 G CA -0.436 44.127 45.100 -0.895 0.000 1.109 473 G HN 0.781 nan 8.290 nan 0.000 0.553 474 W N 2.143 123.130 121.300 -0.522 0.000 2.193 474 W HA 0.434 5.095 4.660 0.001 0.000 0.338 474 W C 0.343 176.723 176.519 -0.231 0.000 1.310 474 W CA -0.219 56.959 57.345 -0.278 0.000 1.243 474 W CB 1.039 30.392 29.460 -0.178 0.000 1.165 474 W HN 0.524 nan 8.180 nan 0.000 0.566 475 c N 7.025 125.127 118.600 -0.829 0.000 2.264 475 c HA 0.221 4.791 4.570 0.001 0.000 0.324 475 c C 0.316 173.802 174.090 -1.006 0.000 1.267 475 c CA -0.754 55.230 56.329 -0.575 0.000 1.618 475 c CB -0.816 41.524 42.510 -0.284 0.000 2.278 475 c HN 0.639 nan 8.230 nan 0.000 0.499 476 H N 3.469 122.184 119.070 -0.591 0.000 2.794 476 H HA 0.292 4.849 4.556 0.001 0.000 0.256 476 H C 0.942 176.145 175.328 -0.208 0.000 1.637 476 H CA 0.943 56.752 56.048 -0.400 0.000 1.222 476 H CB 0.307 30.105 29.762 0.060 0.000 1.545 476 H HN 0.749 nan 8.280 nan 0.000 0.518 477 S N 0.430 115.922 115.700 -0.347 0.000 3.448 477 S HA 0.067 4.538 4.470 0.001 0.000 0.254 477 S C 0.950 175.426 174.600 -0.207 0.000 1.102 477 S CA 0.067 58.134 58.200 -0.222 0.000 0.797 477 S CB -0.035 63.095 63.200 -0.116 0.000 0.891 477 S HN 0.462 nan 8.310 nan 0.000 0.474 478 L N 0.115 121.205 121.223 -0.221 0.000 3.066 478 L HA 0.611 4.951 4.340 0.001 0.000 0.265 478 L C -0.458 176.315 176.870 -0.162 0.000 1.232 478 L CA -0.438 54.311 54.840 -0.152 0.000 1.031 478 L CB 0.422 42.420 42.059 -0.102 0.000 1.379 478 L HN 0.048 nan 8.230 nan 0.000 0.563 479 Q N 1.345 120.981 119.800 -0.274 0.000 2.443 479 Q HA -0.203 4.137 4.340 0.001 0.000 0.337 479 Q C -0.339 175.616 176.000 -0.074 0.000 1.401 479 Q CA 1.145 56.866 55.803 -0.136 0.000 0.943 479 Q CB -1.200 27.614 28.738 0.126 0.000 1.177 479 Q HN 0.882 nan 8.270 nan 0.000 0.394 480 R N -0.885 119.403 120.500 -0.354 0.000 2.710 480 R HA 0.540 4.881 4.340 0.001 0.000 0.270 480 R C -1.389 174.751 176.300 -0.266 0.000 1.021 480 R CA -0.635 55.379 56.100 -0.144 0.000 0.889 480 R CB 1.539 31.791 30.300 -0.080 0.000 1.243 480 R HN 0.309 nan 8.270 nan 0.000 0.464 481 c N 2.686 121.272 118.600 -0.023 0.000 2.273 481 c HA 0.755 5.325 4.570 0.001 0.000 0.328 481 c C 0.186 174.238 174.090 -0.065 0.000 1.275 481 c CA 0.261 56.588 56.329 -0.004 0.000 1.704 481 c CB -0.270 42.329 42.510 0.148 0.000 2.326 481 c HN 0.817 nan 8.230 nan 0.000 0.517 482 T N 2.202 116.728 114.554 -0.047 0.000 2.598 482 T HA 0.621 4.972 4.350 0.001 0.000 0.289 482 T C -0.505 174.273 174.700 0.129 0.000 1.056 482 T CA -0.521 61.503 62.100 -0.127 0.000 1.088 482 T CB 0.338 69.176 68.868 -0.050 0.000 1.519 482 T HN 0.243 nan 8.240 nan 0.000 0.488 483 F N 1.317 121.449 119.950 0.305 0.000 2.375 483 F HA 0.488 5.015 4.527 0.001 0.000 0.317 483 F C 2.284 177.978 175.800 -0.176 0.000 1.124 483 F CA -1.000 57.118 58.000 0.197 0.000 1.050 483 F CB 0.426 39.419 39.000 -0.013 0.000 1.314 483 F HN 0.583 nan 8.300 nan 0.000 0.511 484 Q N 0.377 119.803 119.800 -0.623 0.000 2.291 484 Q HA -0.035 4.306 4.340 0.001 0.000 0.205 484 Q C 2.028 177.764 176.000 -0.441 0.000 0.970 484 Q CA 1.152 56.279 55.803 -1.127 0.000 0.876 484 Q CB -0.249 27.730 28.738 -1.265 0.000 0.935 484 Q HN 1.010 nan 8.270 nan 0.000 0.455 485 G N 0.882 109.555 108.800 -0.211 0.000 2.453 485 G HA2 -0.169 3.791 3.960 0.001 0.000 0.215 485 G HA3 -0.169 3.791 3.960 0.001 0.000 0.215 485 G C 0.574 175.460 174.900 -0.024 0.000 1.147 485 G CA 0.494 45.528 45.100 -0.111 0.000 0.802 485 G HN 0.241 nan 8.290 nan 0.000 0.535 486 D N -0.940 119.491 120.400 0.052 0.000 2.277 486 D HA 0.054 4.695 4.640 0.001 0.000 0.208 486 D C 0.884 177.216 176.300 0.053 0.000 0.962 486 D CA 0.283 54.326 54.000 0.072 0.000 0.865 486 D CB 0.181 41.055 40.800 0.123 0.000 0.939 486 D HN 0.233 nan 8.370 nan 0.000 0.510 487 c N 0.730 119.367 118.600 0.063 0.000 2.355 487 c HA 0.391 4.962 4.570 0.001 0.000 0.332 487 c C 0.346 174.481 174.090 0.075 0.000 1.255 487 c CA -0.871 55.517 56.329 0.097 0.000 1.792 487 c CB 0.444 43.122 42.510 0.280 0.000 2.300 487 c HN -0.012 nan 8.230 nan 0.000 0.515 488 V N 6.806 126.759 119.914 0.066 0.000 2.399 488 V HA -0.015 4.106 4.120 0.001 0.000 0.245 488 V C 0.838 176.994 176.094 0.104 0.000 1.089 488 V CA 0.481 62.817 62.300 0.060 0.000 1.196 488 V CB -1.074 30.766 31.823 0.030 0.000 1.221 488 V HN 0.894 nan 8.190 nan 0.000 0.482 489 H N 3.435 122.502 119.070 -0.004 0.000 3.563 489 H HA 0.187 4.743 4.556 0.001 0.000 0.219 489 H C 0.945 176.286 175.328 0.021 0.000 1.771 489 H CA -0.055 56.000 56.048 0.013 0.000 1.458 489 H CB -0.510 29.211 29.762 -0.068 0.000 1.796 489 H HN 0.668 nan 8.280 nan 0.000 0.652 490 S N 1.153 116.812 115.700 -0.068 0.000 2.596 490 S HA -0.029 4.442 4.470 0.001 0.000 0.260 490 S C 1.385 175.895 174.600 -0.149 0.000 1.336 490 S CA -0.435 57.721 58.200 -0.074 0.000 0.993 490 S CB 1.123 64.306 63.200 -0.027 0.000 0.923 490 S HN 0.701 nan 8.310 nan 0.000 0.567 491 E N 0.916 121.065 120.200 -0.085 0.000 2.251 491 E HA -0.006 4.344 4.350 0.001 0.000 0.194 491 E C 1.552 178.125 176.600 -0.044 0.000 0.964 491 E CA 0.761 57.115 56.400 -0.078 0.000 0.868 491 E CB -0.158 29.517 29.700 -0.041 0.000 0.828 491 E HN 0.700 nan 8.360 nan 0.000 0.481 492 N N -0.140 118.545 118.700 -0.025 0.000 2.106 492 N HA -0.090 4.651 4.740 0.001 0.000 0.188 492 N C 0.189 175.700 175.510 0.001 0.000 1.029 492 N CA 0.679 53.725 53.050 -0.007 0.000 0.848 492 N CB -0.050 38.437 38.487 -0.001 0.000 1.007 492 N HN 0.117 nan 8.380 nan 0.000 0.423 493 L N 0.602 121.827 121.223 0.004 0.000 2.318 493 L HA 0.361 4.702 4.340 0.001 0.000 0.277 493 L C -0.881 176.002 176.870 0.023 0.000 1.008 493 L CA -0.818 54.041 54.840 0.031 0.000 0.846 493 L CB 1.461 43.552 42.059 0.054 0.000 1.220 493 L HN 0.004 nan 8.230 nan 0.000 0.423 494 E N 2.533 122.747 120.200 0.025 0.000 1.774 494 E HA 0.072 4.423 4.350 0.001 0.000 0.265 494 E C 0.628 177.291 176.600 0.106 0.000 1.207 494 E CA 0.357 56.770 56.400 0.023 0.000 1.054 494 E CB 0.060 29.779 29.700 0.031 0.000 1.074 494 E HN 0.694 nan 8.360 nan 0.000 0.433 495 N N 2.154 120.931 118.700 0.127 0.000 2.080 495 N HA -0.088 4.653 4.740 0.001 0.000 0.189 495 N C -0.419 175.234 175.510 0.238 0.000 1.036 495 N CA 0.762 53.922 53.050 0.184 0.000 0.846 495 N CB -0.204 38.360 38.487 0.128 0.000 1.015 495 N HN 0.470 nan 8.380 nan 0.000 0.423 496 W N 1.490 122.871 121.300 0.136 0.000 2.303 496 W HA 0.339 5.000 4.660 0.001 0.000 0.318 496 W C -0.668 175.962 176.519 0.184 0.000 1.362 496 W CA -0.333 57.119 57.345 0.177 0.000 1.234 496 W CB 0.247 29.886 29.460 0.298 0.000 1.248 496 W HN -0.062 nan 8.180 nan 0.000 0.546 497 L N 7.710 128.822 121.223 -0.184 0.000 2.298 497 L HA 0.333 4.673 4.340 0.001 0.000 0.284 497 L C -0.080 176.532 176.870 -0.431 0.000 1.013 497 L CA -0.560 54.197 54.840 -0.138 0.000 0.824 497 L CB 0.409 42.460 42.059 -0.013 0.000 1.221 497 L HN 0.574 nan 8.230 nan 0.000 0.418 498 D N 3.986 124.259 120.400 -0.211 0.000 2.414 498 D HA 0.122 4.762 4.640 0.001 0.000 0.259 498 D C 0.967 177.186 176.300 -0.135 0.000 1.269 498 D CA -0.267 53.611 54.000 -0.203 0.000 1.028 498 D CB 0.719 41.586 40.800 0.112 0.000 1.093 498 D HN 0.363 nan 8.370 nan 0.000 0.545 499 I N -0.507 120.020 120.570 -0.072 0.000 3.226 499 I HA -0.063 4.108 4.170 0.001 0.000 0.277 499 I C 1.781 177.879 176.117 -0.031 0.000 1.243 499 I CA 0.366 61.631 61.300 -0.058 0.000 1.459 499 I CB -1.340 36.636 38.000 -0.039 0.000 1.093 499 I HN 0.305 nan 8.210 nan 0.000 0.453 500 S N 1.640 117.338 115.700 -0.004 0.000 2.402 500 S HA -0.160 4.311 4.470 0.001 0.000 0.233 500 S C 2.148 176.743 174.600 -0.008 0.000 1.030 500 S CA 1.877 60.079 58.200 0.004 0.000 1.003 500 S CB -0.198 63.019 63.200 0.029 0.000 0.813 500 S HN 0.676 nan 8.310 nan 0.000 0.477 501 S N 0.254 115.943 115.700 -0.017 0.000 2.441 501 S HA 0.487 4.958 4.470 0.001 0.000 0.224 501 S C 1.228 175.802 174.600 -0.044 0.000 1.043 501 S CA 0.319 58.503 58.200 -0.026 0.000 0.948 501 S CB -0.506 62.679 63.200 -0.025 0.000 0.810 501 S HN 0.898 nan 8.310 nan 0.000 0.504 502 G N 0.869 109.634 108.800 -0.057 0.000 2.685 502 G HA2 0.181 4.142 3.960 0.001 0.000 0.387 502 G HA3 0.181 4.142 3.960 0.001 0.000 0.387 502 G C 0.574 175.419 174.900 -0.092 0.000 1.324 502 G CA -0.236 44.821 45.100 -0.071 0.000 0.878 502 G HN 1.139 nan 8.290 nan 0.000 0.527 503 A N -0.309 122.450 122.820 -0.102 0.000 2.168 503 A HA 0.202 4.523 4.320 0.001 0.000 0.215 503 A C 1.792 179.305 177.584 -0.118 0.000 1.152 503 A CA 2.029 53.989 52.037 -0.127 0.000 0.716 503 A CB -0.467 18.455 19.000 -0.129 0.000 0.794 503 A HN 1.395 nan 8.150 nan 0.000 0.465 504 K N -0.775 119.570 120.400 -0.092 0.000 3.322 504 K HA 0.205 4.525 4.320 0.001 0.000 0.291 504 K C 0.440 176.993 176.600 -0.079 0.000 1.131 504 K CA 0.041 56.280 56.287 -0.080 0.000 1.185 504 K CB 0.164 32.627 32.500 -0.062 0.000 1.338 504 K HN 0.093 nan 8.250 nan 0.000 0.380 505 K N 0.106 120.447 120.400 -0.099 0.000 2.552 505 K HA 0.095 4.415 4.320 0.001 0.000 0.196 505 K C -0.467 176.057 176.600 -0.127 0.000 1.785 505 K CA -0.206 56.026 56.287 -0.092 0.000 1.076 505 K CB 0.047 32.505 32.500 -0.071 0.000 1.559 505 K HN 0.367 nan 8.250 nan 0.000 0.591 506 c N 2.500 120.995 118.600 -0.176 0.000 2.746 506 c HA 0.028 4.598 4.570 0.001 0.000 0.403 506 c C -0.646 173.305 174.090 -0.231 0.000 1.270 506 c CA -0.737 55.430 56.329 -0.270 0.000 1.978 506 c CB 0.512 42.808 42.510 -0.356 0.000 2.724 506 c HN 0.318 nan 8.230 nan 0.000 0.678 507 P HA 0.012 nan 4.420 nan 0.000 0.218 507 P C 0.815 178.037 177.300 -0.130 0.000 1.148 507 P CA 1.197 64.200 63.100 -0.163 0.000 0.822 507 P CB -0.012 31.624 31.700 -0.106 0.000 0.784 508 G N 0.000 108.698 108.800 -0.171 0.000 5.446 508 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 508 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 508 G CA 0.000 45.024 45.100 -0.127 0.000 0.502 508 G HN 0.000 nan 8.290 nan 0.000 0.925