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 1xh1_1_A DATA FIRST_RESID 2 DATA SEQUENCE YSPNTQQGRT SIVHLFEWRW VDIALEcERY LAPKGFGGVQ VSPPNENVAI DATA SEQUENCE YNPFRPWWER YQPVSYKLcT RSGNEDEFRN MVTRcNNVGV RIYVDAVINH DATA SEQUENCE MCGNAVSAGT SSTcGSYFNP GSRDFPAVPY SGWDFNDGKc KTGSGDIENY DATA SEQUENCE NDATQVRDcR LTGLLDLALE KDYVRSKIAE YMNHLIDIGV AGFRLDASKH DATA SEQUENCE MWPGDIKAIL DKLHNLNSNW FPAGSKPFIY QEVIDLGGEP IKSSDYFGNG DATA SEQUENCE RVTEFKYGAK LGTVIRKWNG EKMSYLKNWG EGWGFVPSDR ALVFVDSHDN DATA SEQUENCE QRGHGAGGAS ILTFWDARLY KMAVGFMLAH PYGFTRVMSS YRWPRQFQNG DATA SEQUENCE NDVNDWVGPP NNNGVIKEVT INPDTTcGND WVcEHRWRQI RNMVIFRNVV DATA SEQUENCE DGQPFTNWYD NGSNQVAFGR GNRGFIVFNN DDWSFSLTLQ TGLPAGTYcD DATA SEQUENCE VISGDKINGN cTGIKIYVSD DGKAHFSISN SAEDPFIAIH AESKL 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 2 Y HA 0.000 nan 4.550 nan 0.000 0.201 2 Y C 0.000 175.956 175.900 0.094 0.000 1.272 2 Y CA 0.000 58.194 58.100 0.157 0.000 1.940 2 Y CB 0.000 38.487 38.460 0.044 0.000 1.050 3 S N 4.037 119.799 115.700 0.102 0.000 2.513 3 S HA 0.229 4.699 4.470 -0.000 0.000 0.276 3 S C -1.862 172.442 174.600 -0.494 0.000 1.254 3 S CA -0.879 57.217 58.200 -0.175 0.000 1.053 3 S CB 1.313 64.466 63.200 -0.080 0.000 0.958 3 S HN -0.013 nan 8.310 nan 0.000 0.491 4 P HA -0.026 nan 4.420 nan 0.000 0.222 4 P C 0.044 177.109 177.300 -0.391 0.000 1.147 4 P CA 0.569 62.768 63.100 -1.502 0.000 0.790 4 P CB -0.041 30.637 31.700 -1.703 0.000 0.780 5 N N -2.481 116.097 118.700 -0.203 0.000 2.782 5 N HA -0.106 4.633 4.740 -0.000 0.000 0.251 5 N C -0.040 175.537 175.510 0.112 0.000 1.101 5 N CA 1.483 54.553 53.050 0.034 0.000 0.764 5 N CB -2.387 36.151 38.487 0.085 0.000 1.122 5 N HN 0.342 nan 8.380 nan 0.000 0.561 6 T N -2.513 112.059 114.554 0.030 0.000 2.828 6 T HA 0.259 4.608 4.350 -0.000 0.000 0.290 6 T C 0.531 175.255 174.700 0.039 0.000 1.019 6 T CA -0.443 61.702 62.100 0.075 0.000 1.031 6 T CB 1.758 70.686 68.868 0.100 0.000 1.001 6 T HN 0.169 nan 8.240 nan 0.000 0.531 7 Q N 1.100 120.914 119.800 0.023 0.000 2.364 7 Q HA 0.044 4.384 4.340 -0.000 0.000 0.267 7 Q C 0.158 176.159 176.000 0.002 0.000 0.999 7 Q CA -0.447 55.354 55.803 -0.002 0.000 0.886 7 Q CB 0.465 29.192 28.738 -0.019 0.000 1.243 7 Q HN 0.535 nan 8.270 nan 0.000 0.415 8 Q N 1.655 121.453 119.800 -0.004 0.000 2.262 8 Q HA -0.016 4.324 4.340 -0.000 0.000 0.298 8 Q C 0.649 176.642 176.000 -0.012 0.000 1.083 8 Q CA 1.213 57.012 55.803 -0.006 0.000 0.962 8 Q CB 0.405 29.138 28.738 -0.008 0.000 1.104 8 Q HN 1.059 nan 8.270 nan 0.000 0.376 9 G N 3.255 112.047 108.800 -0.014 0.000 2.253 9 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.209 9 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.209 9 G C 0.015 174.894 174.900 -0.036 0.000 0.997 9 G CA -0.461 44.622 45.100 -0.028 0.000 0.640 9 G HN 0.496 nan 8.290 nan 0.000 0.496 10 R N 1.105 121.597 120.500 -0.014 0.000 2.255 10 R HA 0.555 4.894 4.340 -0.000 0.000 0.326 10 R C 0.757 177.069 176.300 0.019 0.000 0.986 10 R CA 0.276 56.366 56.100 -0.015 0.000 0.847 10 R CB 1.113 31.423 30.300 0.015 0.000 1.111 10 R HN 0.308 nan 8.270 nan 0.000 0.452 11 T N -2.520 112.004 114.554 -0.049 0.000 3.132 11 T HA 0.237 4.587 4.350 -0.000 0.000 0.274 11 T C 0.289 174.766 174.700 -0.373 0.000 1.011 11 T CA -0.306 61.751 62.100 -0.071 0.000 0.899 11 T CB 0.397 69.206 68.868 -0.099 0.000 1.089 11 T HN 0.279 nan 8.240 nan 0.000 0.543 12 S N 1.294 116.830 115.700 -0.273 0.000 2.564 12 S HA 0.775 5.245 4.470 -0.000 0.000 0.274 12 S C -0.852 173.715 174.600 -0.056 0.000 1.124 12 S CA -1.060 56.910 58.200 -0.383 0.000 0.869 12 S CB 1.735 64.768 63.200 -0.280 0.000 1.105 12 S HN 0.594 nan 8.310 nan 0.000 0.472 13 I N -0.739 119.814 120.570 -0.029 0.000 2.740 13 I HA 0.919 5.089 4.170 -0.000 0.000 0.303 13 I C -1.029 175.168 176.117 0.132 0.000 1.044 13 I CA -1.019 60.371 61.300 0.150 0.000 1.064 13 I CB 1.798 39.898 38.000 0.167 0.000 1.249 13 I HN 0.435 nan 8.210 nan 0.000 0.433 14 V N 3.616 123.606 119.914 0.128 0.000 2.604 14 V HA 0.402 4.522 4.120 -0.000 0.000 0.305 14 V C -1.036 175.071 176.094 0.021 0.000 1.043 14 V CA -0.364 61.955 62.300 0.031 0.000 0.888 14 V CB 1.597 33.321 31.823 -0.165 0.000 0.995 14 V HN 0.871 nan 8.190 nan 0.000 0.429 15 H N 6.872 125.894 119.070 -0.081 0.000 2.969 15 H HA 0.389 4.945 4.556 -0.000 0.000 0.269 15 H C -0.274 174.973 175.328 -0.135 0.000 1.223 15 H CA -0.500 55.523 56.048 -0.043 0.000 1.400 15 H CB 0.288 30.056 29.762 0.011 0.000 1.500 15 H HN 0.609 nan 8.280 nan 0.000 0.486 16 L N 6.824 127.930 121.223 -0.195 0.000 2.423 16 L HA 0.072 4.411 4.340 -0.000 0.000 0.249 16 L C 0.154 176.876 176.870 -0.245 0.000 1.276 16 L CA -0.557 53.871 54.840 -0.685 0.000 1.199 16 L CB -0.796 40.588 42.059 -1.125 0.000 1.407 16 L HN 0.447 nan 8.230 nan 0.000 0.410 17 F N 4.254 123.948 119.950 -0.427 0.000 2.569 17 F HA -0.049 4.477 4.527 -0.000 0.000 0.395 17 F C 1.396 177.418 175.800 0.370 0.000 1.028 17 F CA 0.264 58.111 58.000 -0.255 0.000 1.158 17 F CB -0.133 38.632 39.000 -0.392 0.000 1.023 17 F HN 0.506 nan 8.300 nan 0.000 0.547 18 E N 2.385 122.583 120.200 -0.003 0.000 3.496 18 E HA -0.306 4.044 4.350 -0.000 0.000 0.300 18 E C -0.441 176.272 176.600 0.188 0.000 0.877 18 E CA 0.942 57.328 56.400 -0.024 0.000 1.050 18 E CB -1.662 27.896 29.700 -0.236 0.000 1.532 18 E HN 0.626 nan 8.360 nan 0.000 0.447 19 W N 1.588 122.827 121.300 -0.101 0.000 2.137 19 W HA 0.175 4.835 4.660 -0.000 0.000 0.344 19 W C 1.481 177.836 176.519 -0.273 0.000 1.286 19 W CA 0.087 57.267 57.345 -0.276 0.000 1.240 19 W CB 0.254 29.554 29.460 -0.268 0.000 1.141 19 W HN -0.091 nan 8.180 nan 0.000 0.579 20 R N 1.731 122.157 120.500 -0.123 0.000 2.531 20 R HA 0.106 4.446 4.340 -0.000 0.000 0.273 20 R C 1.028 177.359 176.300 0.051 0.000 1.070 20 R CA -0.361 55.599 56.100 -0.232 0.000 1.112 20 R CB 0.513 30.698 30.300 -0.191 0.000 1.049 20 R HN 0.686 nan 8.270 nan 0.000 0.508 21 W N 0.646 121.999 121.300 0.088 0.000 2.338 21 W HA -0.230 4.429 4.660 -0.000 0.000 0.304 21 W C 1.945 178.482 176.519 0.030 0.000 1.212 21 W CA 0.200 57.588 57.345 0.070 0.000 1.264 21 W CB -0.332 29.186 29.460 0.098 0.000 1.142 21 W HN 0.427 nan 8.180 nan 0.000 0.512 22 V N 1.098 121.156 119.914 0.240 0.000 2.407 22 V HA -0.273 3.846 4.120 -0.000 0.000 0.248 22 V C 1.740 177.888 176.094 0.090 0.000 1.055 22 V CA 2.377 64.754 62.300 0.128 0.000 1.049 22 V CB -0.527 31.339 31.823 0.072 0.000 0.662 22 V HN 0.065 nan 8.190 nan 0.000 0.455 23 D N -0.216 120.226 120.400 0.070 0.000 2.149 23 D HA -0.055 4.584 4.640 -0.000 0.000 0.201 23 D C 2.068 178.501 176.300 0.221 0.000 0.972 23 D CA 1.569 55.597 54.000 0.047 0.000 0.835 23 D CB -0.072 40.630 40.800 -0.162 0.000 0.966 23 D HN 0.495 nan 8.370 nan 0.000 0.476 24 I N 1.155 121.893 120.570 0.280 0.000 2.252 24 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 24 I C 2.513 178.686 176.117 0.095 0.000 1.102 24 I CA 0.742 62.168 61.300 0.211 0.000 1.385 24 I CB -0.248 37.874 38.000 0.203 0.000 1.064 24 I HN -0.096 nan 8.210 nan 0.000 0.414 25 A N 1.250 124.119 122.820 0.082 0.000 1.908 25 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 25 A C 2.321 179.927 177.584 0.037 0.000 1.181 25 A CA 1.519 53.571 52.037 0.024 0.000 0.627 25 A CB -0.856 18.158 19.000 0.024 0.000 0.818 25 A HN 0.373 nan 8.150 nan 0.000 0.445 26 L N -1.211 120.050 121.223 0.063 0.000 2.056 26 L HA -0.185 4.154 4.340 -0.000 0.000 0.207 26 L C 2.680 179.603 176.870 0.087 0.000 1.078 26 L CA 1.751 56.629 54.840 0.063 0.000 0.749 26 L CB -0.462 41.630 42.059 0.055 0.000 0.901 26 L HN 0.465 nan 8.230 nan 0.000 0.433 27 E N -0.334 119.941 120.200 0.125 0.000 2.118 27 E HA -0.222 4.128 4.350 -0.000 0.000 0.195 27 E C 2.252 178.913 176.600 0.101 0.000 0.992 27 E CA 1.479 57.969 56.400 0.151 0.000 0.804 27 E CB -0.261 29.547 29.700 0.181 0.000 0.741 27 E HN 0.419 nan 8.360 nan 0.000 0.458 28 c N 0.415 119.039 118.600 0.041 0.000 2.413 28 c HA -0.119 4.451 4.570 -0.000 0.000 0.276 28 c C 2.389 176.498 174.090 0.031 0.000 1.236 28 c CA 1.295 57.630 56.329 0.009 0.000 1.735 28 c CB -0.864 41.624 42.510 -0.037 0.000 2.031 28 c HN 0.544 nan 8.230 nan 0.000 0.474 29 E N 0.141 120.363 120.200 0.036 0.000 2.076 29 E HA -0.148 4.202 4.350 -0.000 0.000 0.190 29 E C 2.368 179.005 176.600 0.061 0.000 0.979 29 E CA 0.880 57.302 56.400 0.036 0.000 0.807 29 E CB -0.203 29.515 29.700 0.030 0.000 0.761 29 E HN 0.683 nan 8.360 nan 0.000 0.454 30 R N -0.940 119.616 120.500 0.094 0.000 2.210 30 R HA -0.019 4.320 4.340 -0.000 0.000 0.203 30 R C 1.206 177.625 176.300 0.199 0.000 1.010 30 R CA 1.005 57.179 56.100 0.123 0.000 1.008 30 R CB 0.091 30.465 30.300 0.122 0.000 0.923 30 R HN 0.236 nan 8.270 nan 0.000 0.469 31 Y N 0.011 120.339 120.300 0.047 0.000 3.087 31 Y HA 0.253 4.803 4.550 -0.000 0.000 0.227 31 Y C 1.783 177.730 175.900 0.078 0.000 1.015 31 Y CA -0.219 57.918 58.100 0.062 0.000 1.399 31 Y CB 0.135 38.627 38.460 0.054 0.000 1.483 31 Y HN -0.167 nan 8.280 nan 0.000 0.420 32 L N 0.670 121.992 121.223 0.165 0.000 1.990 32 L HA -0.286 4.054 4.340 -0.000 0.000 0.213 32 L C 2.612 179.558 176.870 0.126 0.000 1.072 32 L CA 1.830 56.723 54.840 0.089 0.000 0.755 32 L CB -1.073 40.988 42.059 0.003 0.000 0.889 32 L HN 0.418 nan 8.230 nan 0.000 0.432 33 A N 0.331 123.187 122.820 0.060 0.000 1.858 33 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 33 A C 0.102 177.696 177.584 0.016 0.000 1.190 33 A CA 1.656 53.715 52.037 0.037 0.000 0.617 33 A CB -1.895 17.113 19.000 0.013 0.000 0.827 33 A HN 0.318 nan 8.150 nan 0.000 0.443 34 P HA -0.101 nan 4.420 nan 0.000 0.218 34 P C 0.841 178.102 177.300 -0.064 0.000 1.148 34 P CA 1.276 64.355 63.100 -0.036 0.000 0.822 34 P CB 0.007 31.684 31.700 -0.039 0.000 0.784 35 K N -1.604 118.738 120.400 -0.096 0.000 2.444 35 K HA 0.291 4.611 4.320 -0.000 0.000 0.193 35 K C 1.239 177.815 176.600 -0.040 0.000 1.024 35 K CA 0.661 56.894 56.287 -0.091 0.000 1.077 35 K CB -0.781 31.605 32.500 -0.189 0.000 0.833 35 K HN 0.155 nan 8.250 nan 0.000 0.517 36 G N 0.271 109.073 108.800 0.003 0.000 2.132 36 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.234 36 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.234 36 G C -0.223 174.619 174.900 -0.097 0.000 0.989 36 G CA -0.437 44.626 45.100 -0.061 0.000 0.676 36 G HN 0.164 nan 8.290 nan 0.000 0.522 37 F N 0.623 120.557 119.950 -0.027 0.000 2.443 37 F HA 0.502 5.029 4.527 -0.000 0.000 0.353 37 F C 1.815 177.622 175.800 0.012 0.000 1.101 37 F CA 0.952 58.953 58.000 0.001 0.000 1.226 37 F CB 1.399 40.413 39.000 0.024 0.000 1.140 37 F HN -0.000 nan 8.300 nan 0.000 0.557 38 G N 1.423 110.328 108.800 0.175 0.000 2.430 38 G HA2 0.394 4.354 3.960 -0.000 0.000 0.216 38 G HA3 0.394 4.354 3.960 -0.000 0.000 0.216 38 G C 0.495 175.525 174.900 0.218 0.000 1.146 38 G CA 0.674 45.876 45.100 0.169 0.000 0.793 38 G HN 1.019 nan 8.290 nan 0.000 0.537 39 G N -2.075 106.888 108.800 0.271 0.000 2.430 39 G HA2 0.458 4.417 3.960 -0.000 0.000 0.300 39 G HA3 0.458 4.417 3.960 -0.000 0.000 0.300 39 G C -2.208 172.834 174.900 0.238 0.000 1.330 39 G CA -0.246 45.021 45.100 0.278 0.000 0.813 39 G HN 0.484 nan 8.290 nan 0.000 0.487 40 V N 0.365 120.401 119.914 0.204 0.000 2.638 40 V HA 0.559 4.679 4.120 -0.000 0.000 0.306 40 V C -0.206 176.036 176.094 0.246 0.000 1.052 40 V CA -0.662 61.713 62.300 0.126 0.000 0.885 40 V CB 1.670 33.473 31.823 -0.033 0.000 0.999 40 V HN 0.870 nan 8.190 nan 0.000 0.424 41 Q N 3.492 123.441 119.800 0.248 0.000 2.296 41 Q HA 0.613 4.953 4.340 -0.000 0.000 0.257 41 Q C -0.635 175.541 176.000 0.293 0.000 0.942 41 Q CA -0.441 55.524 55.803 0.271 0.000 0.939 41 Q CB 1.743 30.571 28.738 0.149 0.000 1.198 41 Q HN 0.805 nan 8.270 nan 0.000 0.429 42 V N 1.189 121.270 119.914 0.278 0.000 2.834 42 V HA 0.582 4.702 4.120 -0.000 0.000 0.313 42 V C 0.130 176.489 176.094 0.441 0.000 1.060 42 V CA -0.858 61.678 62.300 0.393 0.000 0.989 42 V CB 1.661 33.706 31.823 0.370 0.000 1.041 42 V HN 0.761 nan 8.190 nan 0.000 0.459 43 S N 2.797 118.816 115.700 0.531 0.000 2.584 43 S HA 0.342 4.812 4.470 -0.000 0.000 0.270 43 S C -2.377 172.440 174.600 0.362 0.000 1.346 43 S CA -0.366 58.089 58.200 0.425 0.000 1.018 43 S CB 0.234 63.626 63.200 0.320 0.000 0.899 43 S HN 0.849 nan 8.310 nan 0.000 0.542 44 P HA 0.038 nan 4.420 nan 0.000 0.258 44 P C -1.942 175.496 177.300 0.230 0.000 1.172 44 P CA -0.672 62.505 63.100 0.129 0.000 0.762 44 P CB -0.000 31.645 31.700 -0.091 0.000 0.764 45 P HA -0.040 nan 4.420 nan 0.000 0.249 45 P C -0.148 177.232 177.300 0.133 0.000 1.229 45 P CA 0.596 63.851 63.100 0.258 0.000 0.788 45 P CB 0.161 31.711 31.700 -0.250 0.000 1.072 46 N N 0.464 119.229 118.700 0.108 0.000 2.508 46 N HA 0.056 4.796 4.740 -0.000 0.000 0.285 46 N C -0.206 175.283 175.510 -0.035 0.000 1.144 46 N CA -0.511 52.547 53.050 0.013 0.000 0.978 46 N CB 1.322 39.742 38.487 -0.112 0.000 1.180 46 N HN -0.035 nan 8.380 nan 0.000 0.484 47 E N 0.422 120.582 120.200 -0.067 0.000 2.465 47 E HA -0.076 4.273 4.350 -0.000 0.000 0.260 47 E C -0.389 176.129 176.600 -0.136 0.000 0.980 47 E CA -0.051 56.299 56.400 -0.082 0.000 0.927 47 E CB 0.285 29.939 29.700 -0.077 0.000 0.934 47 E HN 0.735 nan 8.360 nan 0.000 0.459 48 N N 1.953 120.575 118.700 -0.130 0.000 2.577 48 N HA 0.247 4.987 4.740 -0.000 0.000 0.285 48 N C -0.868 174.530 175.510 -0.187 0.000 1.309 48 N CA -0.771 52.183 53.050 -0.161 0.000 0.798 48 N CB 1.059 39.469 38.487 -0.128 0.000 1.463 48 N HN 0.179 nan 8.380 nan 0.000 0.518 49 V N 0.274 120.064 119.914 -0.206 0.000 2.637 49 V HA 0.305 4.425 4.120 -0.000 0.000 0.296 49 V C 0.618 176.640 176.094 -0.121 0.000 1.046 49 V CA -0.486 61.704 62.300 -0.182 0.000 1.066 49 V CB 0.635 32.385 31.823 -0.122 0.000 0.968 49 V HN 0.840 nan 8.190 nan 0.000 0.483 50 A N 6.997 129.776 122.820 -0.067 0.000 2.391 50 A HA 0.624 4.944 4.320 -0.000 0.000 0.316 50 A C -0.303 177.135 177.584 -0.244 0.000 1.381 50 A CA -0.311 51.611 52.037 -0.192 0.000 0.998 50 A CB -0.387 18.564 19.000 -0.081 0.000 1.147 50 A HN 0.752 nan 8.150 nan 0.000 0.545 51 I N 1.609 121.954 120.570 -0.376 0.000 2.396 51 I HA 0.228 4.398 4.170 -0.000 0.000 0.292 51 I C 0.199 175.987 176.117 -0.547 0.000 0.999 51 I CA 0.101 61.222 61.300 -0.298 0.000 1.310 51 I CB 1.145 38.990 38.000 -0.259 0.000 1.404 51 I HN 0.762 nan 8.210 nan 0.000 0.496 52 Y N 2.593 122.839 120.300 -0.089 0.000 2.426 52 Y HA 0.229 4.779 4.550 -0.001 0.000 0.249 52 Y C 0.537 176.440 175.900 0.004 0.000 1.103 52 Y CA -0.337 57.751 58.100 -0.020 0.000 1.256 52 Y CB 0.465 38.962 38.460 0.061 0.000 1.208 52 Y HN 0.485 nan 8.280 nan 0.000 0.519 53 N N 1.761 120.488 118.700 0.045 0.000 2.617 53 N HA 0.248 4.988 4.740 -0.000 0.000 0.263 53 N C -2.861 172.582 175.510 -0.113 0.000 1.074 53 N CA -2.030 51.003 53.050 -0.029 0.000 0.841 53 N CB 1.064 39.564 38.487 0.022 0.000 1.221 53 N HN -0.117 nan 8.380 nan 0.000 0.529 54 P HA 0.136 nan 4.420 nan 0.000 0.274 54 P C -0.475 176.639 177.300 -0.311 0.000 1.264 54 P CA -0.367 62.375 63.100 -0.596 0.000 0.795 54 P CB 0.541 31.345 31.700 -1.494 0.000 1.064 55 F N 2.191 121.971 119.950 -0.283 0.000 2.494 55 F HA 0.151 4.678 4.527 -0.001 0.000 0.369 55 F C 0.582 176.327 175.800 -0.092 0.000 1.098 55 F CA -0.184 57.775 58.000 -0.067 0.000 1.154 55 F CB -0.303 38.755 39.000 0.098 0.000 1.103 55 F HN 0.236 nan 8.300 nan 0.000 0.549 56 R N 2.969 123.009 120.500 -0.767 0.000 3.152 56 R HA -0.130 4.210 4.340 -0.000 0.000 0.252 56 R C -2.864 173.195 176.300 -0.403 0.000 0.930 56 R CA 0.165 55.826 56.100 -0.731 0.000 0.642 56 R CB -2.732 26.979 30.300 -0.982 0.000 1.205 56 R HN 0.390 nan 8.270 nan 0.000 0.452 57 P HA 0.188 nan 4.420 nan 0.000 0.283 57 P C 1.376 178.376 177.300 -0.501 0.000 1.271 57 P CA -0.845 61.944 63.100 -0.519 0.000 0.841 57 P CB 0.359 31.342 31.700 -1.194 0.000 1.122 58 W N 2.067 123.235 121.300 -0.220 0.000 2.374 58 W HA -0.103 4.556 4.660 -0.000 0.000 0.288 58 W C 1.429 178.052 176.519 0.174 0.000 1.218 58 W CA 0.889 58.243 57.345 0.015 0.000 1.245 58 W CB -1.670 27.963 29.460 0.288 0.000 1.126 58 W HN 0.446 nan 8.180 nan 0.000 0.545 59 W N 3.330 124.114 121.300 -0.860 0.000 2.961 59 W HA 0.037 4.697 4.660 -0.000 0.000 0.240 59 W C 1.559 177.968 176.519 -0.183 0.000 1.305 59 W CA 0.864 57.783 57.345 -0.710 0.000 1.465 59 W CB -1.382 27.335 29.460 -1.239 0.000 1.135 59 W HN 0.215 nan 8.180 nan 0.000 0.688 60 E N 1.721 121.835 120.200 -0.143 0.000 2.338 60 E HA -0.137 4.213 4.350 -0.000 0.000 0.197 60 E C 1.829 178.423 176.600 -0.009 0.000 1.007 60 E CA 0.673 57.036 56.400 -0.062 0.000 0.849 60 E CB -0.471 29.052 29.700 -0.294 0.000 0.774 60 E HN 0.234 nan 8.360 nan 0.000 0.506 61 R N -0.448 120.050 120.500 -0.004 0.000 2.307 61 R HA 0.005 4.345 4.340 -0.000 0.000 0.199 61 R C 0.350 176.467 176.300 -0.304 0.000 1.000 61 R CA 0.556 56.574 56.100 -0.137 0.000 1.023 61 R CB 0.049 30.261 30.300 -0.147 0.000 0.908 61 R HN 0.315 nan 8.270 nan 0.000 0.473 62 Y N 0.190 120.593 120.300 0.171 0.000 2.571 62 Y HA 0.207 4.757 4.550 -0.000 0.000 0.275 62 Y C 0.157 176.203 175.900 0.243 0.000 1.179 62 Y CA -0.053 58.185 58.100 0.230 0.000 1.242 62 Y CB 0.636 39.267 38.460 0.285 0.000 1.126 62 Y HN -0.122 nan 8.280 nan 0.000 0.524 63 Q N 1.315 121.215 119.800 0.167 0.000 2.798 63 Q HA 0.277 4.617 4.340 -0.000 0.000 0.250 63 Q C -2.734 173.252 176.000 -0.022 0.000 1.006 63 Q CA -2.073 53.802 55.803 0.120 0.000 0.759 63 Q CB 1.285 30.082 28.738 0.098 0.000 1.201 63 Q HN 0.068 nan 8.270 nan 0.000 0.486 64 P HA -0.038 nan 4.420 nan 0.000 0.269 64 P C 0.189 177.346 177.300 -0.238 0.000 1.209 64 P CA 0.062 63.055 63.100 -0.178 0.000 0.776 64 P CB 1.199 32.773 31.700 -0.210 0.000 0.876 65 V N 0.265 120.014 119.914 -0.275 0.000 3.473 65 V HA 0.129 4.249 4.120 -0.000 0.000 0.253 65 V C 0.733 176.728 176.094 -0.164 0.000 1.340 65 V CA 1.334 63.496 62.300 -0.230 0.000 1.103 65 V CB 0.579 32.147 31.823 -0.425 0.000 0.881 65 V HN 0.831 nan 8.190 nan 0.000 0.451 66 S N -2.144 113.359 115.700 -0.328 0.000 2.655 66 S HA 0.450 4.920 4.470 -0.000 0.000 0.266 66 S C -0.938 173.297 174.600 -0.607 0.000 1.149 66 S CA -0.374 57.562 58.200 -0.440 0.000 0.818 66 S CB 0.886 63.975 63.200 -0.186 0.000 1.130 66 S HN -0.038 nan 8.310 nan 0.000 0.476 67 Y N 1.037 121.176 120.300 -0.270 0.000 2.571 67 Y HA 0.448 4.998 4.550 -0.000 0.000 0.275 67 Y C 0.665 176.447 175.900 -0.196 0.000 1.179 67 Y CA -0.770 57.063 58.100 -0.444 0.000 1.242 67 Y CB -0.115 38.025 38.460 -0.534 0.000 1.126 67 Y HN 0.386 nan 8.280 nan 0.000 0.524 68 K N 0.938 121.325 120.400 -0.021 0.000 2.368 68 K HA 0.128 4.448 4.320 -0.000 0.000 0.282 68 K C -0.413 176.223 176.600 0.060 0.000 1.035 68 K CA -0.497 55.813 56.287 0.038 0.000 0.973 68 K CB 0.829 33.341 32.500 0.019 0.000 0.957 68 K HN -0.039 nan 8.250 nan 0.000 0.474 69 L N 3.828 125.111 121.223 0.100 0.000 2.376 69 L HA 0.029 4.368 4.340 -0.000 0.000 0.250 69 L C -0.202 176.746 176.870 0.129 0.000 1.335 69 L CA 0.305 55.187 54.840 0.070 0.000 1.214 69 L CB -0.785 41.278 42.059 0.006 0.000 1.395 69 L HN 0.586 nan 8.230 nan 0.000 0.424 70 c N 1.672 120.337 118.600 0.109 0.000 2.660 70 c HA 0.757 5.327 4.570 -0.000 0.000 0.336 70 c C 0.338 174.466 174.090 0.063 0.000 1.058 70 c CA -0.002 56.389 56.329 0.103 0.000 1.368 70 c CB 0.216 42.769 42.510 0.071 0.000 1.884 70 c HN 0.866 nan 8.230 nan 0.000 0.454 71 T N 1.888 116.478 114.554 0.060 0.000 2.681 71 T HA 0.477 4.826 4.350 -0.000 0.000 0.296 71 T C 0.881 175.522 174.700 -0.099 0.000 1.157 71 T CA -0.676 61.410 62.100 -0.024 0.000 1.025 71 T CB 1.026 69.884 68.868 -0.017 0.000 1.441 71 T HN 0.515 nan 8.240 nan 0.000 0.504 72 R N 0.125 120.537 120.500 -0.147 0.000 2.293 72 R HA 0.023 4.363 4.340 -0.000 0.000 0.219 72 R C 1.915 178.051 176.300 -0.272 0.000 1.091 72 R CA 0.928 56.924 56.100 -0.174 0.000 1.004 72 R CB -0.411 29.784 30.300 -0.175 0.000 0.865 72 R HN 0.547 nan 8.270 nan 0.000 0.469 73 S N -0.601 114.829 115.700 -0.451 0.000 2.496 73 S HA 0.145 4.615 4.470 -0.000 0.000 0.224 73 S C 0.674 174.713 174.600 -0.935 0.000 0.996 73 S CA 0.656 58.319 58.200 -0.895 0.000 0.927 73 S CB 0.698 62.856 63.200 -1.737 0.000 0.774 73 S HN 0.651 nan 8.310 nan 0.000 0.524 74 G N 1.380 109.915 108.800 -0.442 0.000 2.369 74 G HA2 0.103 4.063 3.960 -0.000 0.000 0.307 74 G HA3 0.103 4.063 3.960 -0.000 0.000 0.307 74 G C -1.288 173.757 174.900 0.243 0.000 1.327 74 G CA -0.657 44.411 45.100 -0.053 0.000 0.963 74 G HN 0.350 nan 8.290 nan 0.000 0.590 75 N N -0.651 118.223 118.700 0.290 0.000 2.476 75 N HA 0.417 5.157 4.740 -0.000 0.000 0.287 75 N C 1.080 176.797 175.510 0.346 0.000 1.262 75 N CA 0.102 53.312 53.050 0.267 0.000 0.980 75 N CB 0.904 39.496 38.487 0.174 0.000 1.163 75 N HN 0.772 nan 8.380 nan 0.000 0.592 76 E N -0.970 119.379 120.200 0.250 0.000 2.110 76 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 76 E C 0.337 177.085 176.600 0.246 0.000 0.988 76 E CA 1.255 57.803 56.400 0.246 0.000 0.804 76 E CB -0.071 29.753 29.700 0.206 0.000 0.745 76 E HN 0.520 nan 8.360 nan 0.000 0.458 77 D N 0.559 121.080 120.400 0.201 0.000 2.097 77 D HA -0.154 4.486 4.640 -0.000 0.000 0.197 77 D C 1.749 178.149 176.300 0.166 0.000 0.984 77 D CA 1.124 55.221 54.000 0.161 0.000 0.826 77 D CB -0.131 40.746 40.800 0.129 0.000 0.973 77 D HN 0.363 nan 8.370 nan 0.000 0.460 78 E N -0.130 120.207 120.200 0.228 0.000 2.106 78 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 78 E C 1.907 178.641 176.600 0.224 0.000 0.984 78 E CA 0.356 56.910 56.400 0.255 0.000 0.806 78 E CB -0.173 29.734 29.700 0.346 0.000 0.750 78 E HN 0.224 nan 8.360 nan 0.000 0.458 79 F N 1.771 121.745 119.950 0.040 0.000 2.113 79 F HA -0.123 4.404 4.527 -0.000 0.000 0.297 79 F C 2.393 178.033 175.800 -0.267 0.000 1.103 79 F CA 1.452 59.200 58.000 -0.420 0.000 1.248 79 F CB 0.042 38.744 39.000 -0.497 0.000 0.999 79 F HN -0.234 nan 8.300 nan 0.000 0.475 80 R N 0.433 120.910 120.500 -0.038 0.000 2.096 80 R HA -0.214 4.126 4.340 -0.000 0.000 0.235 80 R C 2.364 178.585 176.300 -0.133 0.000 1.127 80 R CA 1.497 57.542 56.100 -0.091 0.000 0.968 80 R CB -0.731 29.607 30.300 0.064 0.000 0.861 80 R HN 0.446 nan 8.270 nan 0.000 0.440 81 N N 0.582 119.245 118.700 -0.062 0.000 2.120 81 N HA -0.222 4.518 4.740 -0.000 0.000 0.188 81 N C 1.906 177.351 175.510 -0.110 0.000 1.024 81 N CA 1.448 54.475 53.050 -0.038 0.000 0.852 81 N CB -0.045 38.456 38.487 0.023 0.000 1.003 81 N HN 0.271 nan 8.380 nan 0.000 0.424 82 M N 0.858 120.345 119.600 -0.188 0.000 2.086 82 M HA -0.129 4.351 4.480 -0.000 0.000 0.261 82 M C 1.873 177.959 176.300 -0.357 0.000 1.067 82 M CA 1.350 56.510 55.300 -0.234 0.000 1.116 82 M CB -0.081 32.363 32.600 -0.260 0.000 1.348 82 M HN -0.036 nan 8.290 nan 0.000 0.407 83 V N 0.666 120.256 119.914 -0.539 0.000 2.343 83 V HA -0.254 3.866 4.120 -0.000 0.000 0.247 83 V C 2.345 178.141 176.094 -0.496 0.000 1.051 83 V CA 2.340 64.299 62.300 -0.567 0.000 1.036 83 V CB -1.352 30.087 31.823 -0.641 0.000 0.654 83 V HN 0.583 nan 8.190 nan 0.000 0.451 84 T N -0.236 114.134 114.554 -0.307 0.000 2.674 84 T HA -0.211 4.138 4.350 -0.000 0.000 0.265 84 T C 2.096 176.717 174.700 -0.131 0.000 1.039 84 T CA 1.753 63.772 62.100 -0.136 0.000 1.150 84 T CB -0.254 68.682 68.868 0.113 0.000 0.864 84 T HN 0.403 nan 8.240 nan 0.000 0.427 85 R N 0.060 120.496 120.500 -0.105 0.000 2.073 85 R HA -0.058 4.282 4.340 -0.000 0.000 0.234 85 R C 2.838 179.061 176.300 -0.128 0.000 1.134 85 R CA 1.474 57.530 56.100 -0.073 0.000 0.952 85 R CB -0.829 29.442 30.300 -0.047 0.000 0.850 85 R HN 0.377 nan 8.270 nan 0.000 0.433 86 c N 0.610 119.090 118.600 -0.199 0.000 2.432 86 c HA -0.047 4.523 4.570 -0.000 0.000 0.277 86 c C 2.353 176.271 174.090 -0.287 0.000 1.249 86 c CA 0.529 56.730 56.329 -0.214 0.000 1.725 86 c CB -1.024 41.339 42.510 -0.244 0.000 2.028 86 c HN 0.511 nan 8.230 nan 0.000 0.477 87 N N 1.474 119.885 118.700 -0.482 0.000 2.166 87 N HA -0.090 4.650 4.740 -0.000 0.000 0.186 87 N C 1.312 176.569 175.510 -0.421 0.000 1.019 87 N CA 1.098 53.721 53.050 -0.711 0.000 0.856 87 N CB -0.639 36.865 38.487 -1.638 0.000 0.993 87 N HN 0.496 nan 8.380 nan 0.000 0.426 88 N N 0.071 118.659 118.700 -0.188 0.000 2.519 88 N HA -0.072 4.668 4.740 -0.000 0.000 0.186 88 N C 1.130 176.630 175.510 -0.017 0.000 1.062 88 N CA 0.251 53.324 53.050 0.038 0.000 0.910 88 N CB 0.117 38.663 38.487 0.098 0.000 0.958 88 N HN 0.055 nan 8.380 nan 0.000 0.445 89 V N -0.872 118.999 119.914 -0.072 0.000 3.578 89 V HA 0.276 4.396 4.120 -0.000 0.000 0.290 89 V C 1.058 177.115 176.094 -0.061 0.000 1.376 89 V CA 0.663 62.934 62.300 -0.049 0.000 1.083 89 V CB -0.173 31.627 31.823 -0.038 0.000 0.911 89 V HN 0.395 nan 8.190 nan 0.000 0.433 90 G N 0.473 109.210 108.800 -0.105 0.000 2.143 90 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.249 90 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.249 90 G C 0.115 174.961 174.900 -0.089 0.000 0.981 90 G CA 0.234 45.273 45.100 -0.102 0.000 0.665 90 G HN 0.575 nan 8.290 nan 0.000 0.528 91 V N 2.522 122.370 119.914 -0.110 0.000 2.347 91 V HA 0.574 4.693 4.120 -0.000 0.000 0.280 91 V C 0.656 176.658 176.094 -0.153 0.000 1.021 91 V CA -1.287 60.968 62.300 -0.075 0.000 0.847 91 V CB 1.356 33.151 31.823 -0.046 0.000 0.990 91 V HN 0.318 nan 8.190 nan 0.000 0.444 92 R N 4.089 124.518 120.500 -0.118 0.000 2.615 92 R HA 0.524 4.864 4.340 -0.000 0.000 0.270 92 R C -0.568 175.502 176.300 -0.383 0.000 1.081 92 R CA -0.619 55.321 56.100 -0.267 0.000 1.154 92 R CB 0.927 31.068 30.300 -0.265 0.000 1.063 92 R HN 0.429 nan 8.270 nan 0.000 0.519 93 I N 2.552 122.775 120.570 -0.578 0.000 2.406 93 I HA 0.274 4.444 4.170 -0.000 0.000 0.290 93 I C -0.754 174.945 176.117 -0.697 0.000 0.999 93 I CA -0.904 60.098 61.300 -0.496 0.000 1.124 93 I CB 1.239 38.977 38.000 -0.436 0.000 1.289 93 I HN 0.421 nan 8.210 nan 0.000 0.441 94 Y N 4.879 125.142 120.300 -0.061 0.000 2.328 94 Y HA 0.449 4.999 4.550 -0.000 0.000 0.336 94 Y C 0.253 176.119 175.900 -0.057 0.000 0.960 94 Y CA -0.893 57.169 58.100 -0.063 0.000 1.134 94 Y CB 1.821 40.374 38.460 0.156 0.000 1.166 94 Y HN 0.178 nan 8.280 nan 0.000 0.464 95 V N 3.148 123.024 119.914 -0.064 0.000 2.509 95 V HA 0.083 4.203 4.120 -0.000 0.000 0.284 95 V C -0.049 176.144 176.094 0.165 0.000 1.047 95 V CA -0.688 61.657 62.300 0.074 0.000 0.952 95 V CB 1.342 33.214 31.823 0.081 0.000 0.988 95 V HN 0.655 nan 8.190 nan 0.000 0.469 96 D N 4.190 124.698 120.400 0.179 0.000 2.374 96 D HA 0.325 4.965 4.640 -0.000 0.000 0.240 96 D C 0.090 176.505 176.300 0.191 0.000 1.229 96 D CA -0.056 54.042 54.000 0.164 0.000 0.895 96 D CB 1.141 42.062 40.800 0.202 0.000 1.046 96 D HN 0.684 nan 8.370 nan 0.000 0.498 97 A N 4.227 127.145 122.820 0.163 0.000 2.316 97 A HA 0.372 4.692 4.320 -0.000 0.000 0.311 97 A C -0.055 177.591 177.584 0.103 0.000 1.339 97 A CA -0.669 51.454 52.037 0.143 0.000 0.960 97 A CB 0.567 19.565 19.000 -0.003 0.000 1.152 97 A HN 0.375 nan 8.150 nan 0.000 0.547 98 V N 5.525 125.506 119.914 0.111 0.000 2.267 98 V HA 0.126 4.245 4.120 -0.000 0.000 0.254 98 V C 0.852 176.910 176.094 -0.059 0.000 1.144 98 V CA 0.348 62.658 62.300 0.018 0.000 0.992 98 V CB -0.607 31.216 31.823 -0.001 0.000 1.199 98 V HN 0.868 nan 8.190 nan 0.000 0.493 99 I N 0.304 120.836 120.570 -0.065 0.000 4.154 99 I HA 0.342 4.512 4.170 -0.000 0.000 0.334 99 I C 1.513 177.581 176.117 -0.081 0.000 1.371 99 I CA 0.205 61.477 61.300 -0.047 0.000 1.110 99 I CB 0.074 38.047 38.000 -0.045 0.000 1.085 99 I HN 0.449 nan 8.210 nan 0.000 0.398 100 N N 1.513 120.134 118.700 -0.131 0.000 2.376 100 N HA -0.063 4.677 4.740 -0.000 0.000 0.177 100 N C 0.581 176.099 175.510 0.013 0.000 1.024 100 N CA 0.932 53.975 53.050 -0.012 0.000 0.893 100 N CB 0.193 38.766 38.487 0.145 0.000 0.980 100 N HN 0.687 nan 8.380 nan 0.000 0.439 101 H N -3.654 115.431 119.070 0.025 0.000 2.933 101 H HA 0.311 4.867 4.556 0.000 0.000 0.310 101 H C -0.538 174.779 175.328 -0.018 0.000 1.351 101 H CA -0.908 55.147 56.048 0.012 0.000 1.137 101 H CB 0.515 30.286 29.762 0.015 0.000 1.853 101 H HN -0.178 nan 8.280 nan 0.000 0.539 102 M N 0.746 120.435 119.600 0.148 0.000 2.348 102 M HA 0.315 4.795 4.480 -0.000 0.000 0.226 102 M C 0.943 177.311 176.300 0.113 0.000 0.780 102 M CA -0.403 54.872 55.300 -0.042 0.000 1.699 102 M CB 0.205 32.548 32.600 -0.428 0.000 1.192 102 M HN 0.871 nan 8.290 nan 0.000 0.859 103 C N 0.013 119.354 119.300 0.069 0.000 2.480 103 C HA 0.794 5.254 4.460 -0.000 0.000 0.344 103 C C 0.994 176.038 174.990 0.090 0.000 1.380 103 C CA -0.943 58.136 59.018 0.101 0.000 2.386 103 C CB -0.495 27.291 27.740 0.077 0.000 2.210 103 C HN 0.837 nan 8.230 nan 0.000 0.640 104 G N 1.506 110.339 108.800 0.056 0.000 2.491 104 G HA2 0.166 4.126 3.960 -0.000 0.000 0.238 104 G HA3 0.166 4.126 3.960 -0.000 0.000 0.238 104 G C 0.924 175.841 174.900 0.029 0.000 1.277 104 G CA 0.253 45.359 45.100 0.010 0.000 0.851 104 G HN 1.049 nan 8.290 nan 0.000 0.573 105 N N 1.382 120.073 118.700 -0.015 0.000 2.381 105 N HA -0.103 4.637 4.740 -0.000 0.000 0.182 105 N C 1.817 177.313 175.510 -0.024 0.000 1.025 105 N CA 1.095 54.127 53.050 -0.030 0.000 0.888 105 N CB -0.037 38.413 38.487 -0.061 0.000 0.965 105 N HN 0.430 nan 8.380 nan 0.000 0.438 106 A N 0.975 123.785 122.820 -0.016 0.000 2.208 106 A HA 0.238 4.558 4.320 -0.000 0.000 0.209 106 A C 0.902 178.489 177.584 0.005 0.000 1.161 106 A CA -0.243 51.785 52.037 -0.015 0.000 0.782 106 A CB -0.123 18.865 19.000 -0.019 0.000 0.816 106 A HN 0.115 nan 8.150 nan 0.000 0.477 107 V N 1.551 121.489 119.914 0.040 0.000 2.673 107 V HA 0.051 4.171 4.120 -0.000 0.000 0.303 107 V C 0.827 176.937 176.094 0.027 0.000 1.046 107 V CA 0.009 62.357 62.300 0.081 0.000 1.126 107 V CB 0.933 32.868 31.823 0.187 0.000 0.934 107 V HN 0.398 nan 8.190 nan 0.000 0.487 108 S N 3.289 118.987 115.700 -0.002 0.000 2.564 108 S HA 0.489 4.959 4.470 -0.000 0.000 0.278 108 S C 0.501 174.948 174.600 -0.255 0.000 1.333 108 S CA -0.154 57.992 58.200 -0.091 0.000 1.048 108 S CB 1.052 64.214 63.200 -0.064 0.000 0.900 108 S HN 1.071 nan 8.310 nan 0.000 0.505 109 A N 2.150 124.772 122.820 -0.331 0.000 2.346 109 A HA 0.761 5.081 4.320 -0.000 0.000 0.252 109 A C 0.967 178.208 177.584 -0.570 0.000 1.089 109 A CA 0.396 52.071 52.037 -0.604 0.000 0.797 109 A CB -0.322 18.440 19.000 -0.396 0.000 1.047 109 A HN 1.386 nan 8.150 nan 0.000 0.494 110 G N -1.087 107.227 108.800 -0.810 0.000 2.291 110 G HA2 0.365 4.325 3.960 -0.000 0.000 0.249 110 G HA3 0.365 4.325 3.960 -0.000 0.000 0.249 110 G C 0.040 174.719 174.900 -0.368 0.000 1.340 110 G CA 0.565 45.460 45.100 -0.342 0.000 1.017 110 G HN 1.791 nan 8.290 nan 0.000 0.470 111 T N -2.306 112.215 114.554 -0.055 0.000 3.293 111 T HA 0.539 4.888 4.350 -0.000 0.000 0.276 111 T C 0.747 175.557 174.700 0.182 0.000 1.003 111 T CA 0.940 63.105 62.100 0.108 0.000 0.916 111 T CB 0.743 69.696 68.868 0.141 0.000 1.134 111 T HN 1.094 nan 8.240 nan 0.000 0.530 112 S N 2.853 118.680 115.700 0.213 0.000 4.069 112 S HA 0.423 4.892 4.470 -0.000 0.000 0.192 112 S C 0.353 175.165 174.600 0.352 0.000 1.441 112 S CA -0.583 57.785 58.200 0.280 0.000 0.994 112 S CB -0.957 62.395 63.200 0.254 0.000 1.456 112 S HN 0.770 nan 8.310 nan 0.000 0.458 113 S N 0.591 116.448 115.700 0.261 0.000 2.634 113 S HA 0.406 4.876 4.470 -0.000 0.000 0.296 113 S C 1.182 175.813 174.600 0.053 0.000 1.104 113 S CA -0.404 57.860 58.200 0.106 0.000 0.920 113 S CB 1.078 64.331 63.200 0.088 0.000 1.111 113 S HN 0.440 nan 8.310 nan 0.000 0.493 114 T N -3.243 111.304 114.554 -0.012 0.000 3.051 114 T HA -0.053 4.297 4.350 -0.000 0.000 0.269 114 T C 1.046 175.756 174.700 0.016 0.000 1.127 114 T CA 0.837 62.928 62.100 -0.015 0.000 1.107 114 T CB -0.609 68.229 68.868 -0.050 0.000 0.898 114 T HN 0.624 nan 8.240 nan 0.000 0.517 115 c N 0.750 119.369 118.600 0.032 0.000 3.386 115 c HA 0.676 5.246 4.570 -0.000 0.000 0.279 115 c C 1.998 176.129 174.090 0.068 0.000 1.508 115 c CA -0.153 56.204 56.329 0.047 0.000 1.801 115 c CB -0.963 41.571 42.510 0.040 0.000 2.798 115 c HN 0.877 nan 8.230 nan 0.000 0.605 116 G N 1.590 110.444 108.800 0.090 0.000 2.162 116 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.260 116 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.260 116 G C 0.251 175.237 174.900 0.143 0.000 0.976 116 G CA 0.632 45.800 45.100 0.112 0.000 0.655 116 G HN 0.580 nan 8.290 nan 0.000 0.533 117 S N -0.376 115.411 115.700 0.146 0.000 2.560 117 S HA 0.419 4.889 4.470 -0.000 0.000 0.284 117 S C 0.030 174.806 174.600 0.293 0.000 1.327 117 S CA -0.270 58.038 58.200 0.180 0.000 1.055 117 S CB 0.693 63.969 63.200 0.126 0.000 0.868 117 S HN 0.574 nan 8.310 nan 0.000 0.506 118 Y N 4.219 124.607 120.300 0.148 0.000 2.299 118 Y HA 0.564 5.114 4.550 -0.000 0.000 0.326 118 Y C -0.496 175.515 175.900 0.184 0.000 1.164 118 Y CA -0.861 57.302 58.100 0.106 0.000 1.234 118 Y CB 0.404 38.865 38.460 0.001 0.000 1.219 118 Y HN 0.581 nan 8.280 nan 0.000 0.497 119 F N 3.098 122.409 119.950 -1.066 0.000 2.654 119 F HA 0.460 4.986 4.527 -0.001 0.000 0.308 119 F C -1.945 173.178 175.800 -1.127 0.000 1.108 119 F CA -1.384 56.048 58.000 -0.947 0.000 0.957 119 F CB 1.344 40.014 39.000 -0.551 0.000 1.309 119 F HN 0.412 nan 8.300 nan 0.000 0.446 120 N N 2.675 120.858 118.700 -0.862 0.000 2.640 120 N HA 0.408 5.148 4.740 -0.000 0.000 0.262 120 N C -2.578 172.651 175.510 -0.469 0.000 1.174 120 N CA -2.237 50.441 53.050 -0.620 0.000 0.791 120 N CB 1.868 40.134 38.487 -0.368 0.000 1.279 120 N HN 0.276 nan 8.380 nan 0.000 0.535 121 P HA -0.041 nan 4.420 nan 0.000 0.215 121 P C 1.358 178.563 177.300 -0.157 0.000 1.153 121 P CA 1.275 64.283 63.100 -0.154 0.000 0.853 121 P CB 0.172 31.885 31.700 0.022 0.000 0.788 122 G N -0.042 108.671 108.800 -0.146 0.000 2.469 122 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.219 122 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.219 122 G C 1.476 176.303 174.900 -0.121 0.000 1.150 122 G CA 1.489 46.518 45.100 -0.118 0.000 0.763 122 G HN 0.459 nan 8.290 nan 0.000 0.561 123 S N -1.365 114.256 115.700 -0.132 0.000 2.557 123 S HA 0.335 4.805 4.470 -0.000 0.000 0.223 123 S C 1.065 175.605 174.600 -0.100 0.000 0.969 123 S CA 0.145 58.283 58.200 -0.103 0.000 0.927 123 S CB 0.406 63.565 63.200 -0.068 0.000 0.806 123 S HN 0.189 nan 8.310 nan 0.000 0.489 124 R N 0.578 120.989 120.500 -0.149 0.000 3.531 124 R HA -0.129 4.211 4.340 -0.000 0.000 0.280 124 R C -1.378 174.993 176.300 0.118 0.000 1.130 124 R CA 0.728 56.769 56.100 -0.098 0.000 0.757 124 R CB -2.774 27.462 30.300 -0.106 0.000 1.218 124 R HN 0.612 nan 8.270 nan 0.000 0.454 125 D N -0.492 119.833 120.400 -0.125 0.000 2.349 125 D HA 0.426 5.066 4.640 -0.000 0.000 0.232 125 D C -0.671 175.461 176.300 -0.279 0.000 1.071 125 D CA -0.172 53.816 54.000 -0.020 0.000 0.832 125 D CB 0.383 41.186 40.800 0.006 0.000 1.086 125 D HN 0.066 nan 8.370 nan 0.000 0.504 126 F N 4.761 124.860 119.950 0.248 0.000 2.622 126 F HA 0.277 4.804 4.527 -0.001 0.000 0.338 126 F C -1.462 174.437 175.800 0.164 0.000 1.334 126 F CA -1.552 56.575 58.000 0.213 0.000 1.179 126 F CB 1.595 40.754 39.000 0.264 0.000 1.471 126 F HN 0.286 nan 8.300 nan 0.000 0.576 127 P HA -0.242 nan 4.420 nan 0.000 0.220 127 P C 1.390 178.776 177.300 0.142 0.000 1.144 127 P CA 1.424 64.644 63.100 0.200 0.000 0.800 127 P CB 0.295 32.117 31.700 0.203 0.000 0.772 128 A N -0.728 122.171 122.820 0.132 0.000 2.119 128 A HA 0.021 4.340 4.320 -0.000 0.000 0.216 128 A C 2.270 179.843 177.584 -0.018 0.000 1.152 128 A CA 0.884 52.957 52.037 0.059 0.000 0.708 128 A CB -1.078 17.953 19.000 0.052 0.000 0.805 128 A HN 0.086 nan 8.150 nan 0.000 0.460 129 V N 0.468 120.343 119.914 -0.065 0.000 2.300 129 V HA 0.029 4.149 4.120 -0.000 0.000 0.241 129 V C -1.523 174.502 176.094 -0.114 0.000 1.034 129 V CA 1.258 63.422 62.300 -0.227 0.000 1.021 129 V CB -0.988 30.437 31.823 -0.663 0.000 0.662 129 V HN 0.460 nan 8.190 nan 0.000 0.458 130 P HA 0.439 nan 4.420 nan 0.000 0.292 130 P C -1.831 175.561 177.300 0.153 0.000 1.300 130 P CA -0.351 62.792 63.100 0.073 0.000 0.900 130 P CB 1.385 33.178 31.700 0.155 0.000 1.139 131 Y N -0.522 119.981 120.300 0.339 0.000 2.512 131 Y HA 0.562 5.112 4.550 -0.000 0.000 0.348 131 Y C 0.861 177.025 175.900 0.440 0.000 0.990 131 Y CA -0.530 57.794 58.100 0.373 0.000 1.033 131 Y CB 2.280 40.908 38.460 0.280 0.000 1.259 131 Y HN 0.520 nan 8.280 nan 0.000 0.461 132 S N -0.862 115.196 115.700 0.597 0.000 2.851 132 S HA 0.589 5.059 4.470 -0.000 0.000 0.317 132 S C 1.049 175.919 174.600 0.450 0.000 1.144 132 S CA -0.265 58.217 58.200 0.470 0.000 0.862 132 S CB 1.169 64.600 63.200 0.386 0.000 1.259 132 S HN 0.837 nan 8.310 nan 0.000 0.564 133 G N -0.229 108.669 108.800 0.163 0.000 2.485 133 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.221 133 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.221 133 G C 0.724 175.616 174.900 -0.013 0.000 1.115 133 G CA 0.596 45.701 45.100 0.009 0.000 0.751 133 G HN 0.775 nan 8.290 nan 0.000 0.567 134 W N 0.741 122.154 121.300 0.188 0.000 2.699 134 W HA 0.179 4.839 4.660 0.000 0.000 0.249 134 W C 1.157 177.723 176.519 0.079 0.000 1.280 134 W CA 0.225 57.637 57.345 0.113 0.000 1.345 134 W CB 0.355 29.853 29.460 0.063 0.000 1.128 134 W HN 0.093 nan 8.180 nan 0.000 0.642 135 D N -0.993 119.542 120.400 0.226 0.000 2.340 135 D HA 0.100 4.739 4.640 -0.000 0.000 0.217 135 D C -0.267 175.717 176.300 -0.526 0.000 1.081 135 D CA 0.392 54.323 54.000 -0.115 0.000 0.842 135 D CB -0.147 40.541 40.800 -0.188 0.000 0.934 135 D HN 0.036 nan 8.370 nan 0.000 0.511 136 F N 0.217 120.174 119.950 0.012 0.000 2.575 136 F HA 0.322 4.849 4.527 0.000 0.000 0.330 136 F C 1.357 177.164 175.800 0.012 0.000 1.056 136 F CA -1.066 56.922 58.000 -0.021 0.000 0.964 136 F CB 0.881 39.869 39.000 -0.021 0.000 1.258 136 F HN -0.373 nan 8.300 nan 0.000 0.484 137 N N 0.906 119.728 118.700 0.203 0.000 2.322 137 N HA -0.019 4.721 4.740 -0.000 0.000 0.216 137 N C 0.676 176.252 175.510 0.110 0.000 1.144 137 N CA 0.308 53.437 53.050 0.132 0.000 0.830 137 N CB -0.262 38.296 38.487 0.118 0.000 1.034 137 N HN 0.556 nan 8.380 nan 0.000 0.484 138 D N 0.165 120.633 120.400 0.113 0.000 2.123 138 D HA -0.125 4.514 4.640 -0.000 0.000 0.196 138 D C 1.738 178.061 176.300 0.039 0.000 0.992 138 D CA 1.118 55.151 54.000 0.054 0.000 0.833 138 D CB 0.019 40.832 40.800 0.022 0.000 0.954 138 D HN 0.354 nan 8.370 nan 0.000 0.455 139 G N 0.305 109.135 108.800 0.049 0.000 2.623 139 G HA2 -0.162 3.797 3.960 -0.000 0.000 0.214 139 G HA3 -0.162 3.797 3.960 -0.000 0.000 0.214 139 G C 1.592 176.523 174.900 0.051 0.000 1.138 139 G CA 0.064 45.189 45.100 0.043 0.000 0.794 139 G HN 0.183 nan 8.290 nan 0.000 0.535 140 K N -0.462 119.976 120.400 0.064 0.000 2.098 140 K HA 0.031 4.351 4.320 -0.000 0.000 0.203 140 K C 0.962 177.601 176.600 0.065 0.000 1.051 140 K CA -0.043 56.286 56.287 0.070 0.000 0.957 140 K CB -0.175 32.379 32.500 0.090 0.000 0.738 140 K HN 0.256 nan 8.250 nan 0.000 0.447 141 c N 2.500 121.136 118.600 0.059 0.000 2.642 141 c HA 0.083 4.653 4.570 -0.000 0.000 0.420 141 c C 0.788 174.897 174.090 0.030 0.000 1.349 141 c CA -0.023 56.333 56.329 0.044 0.000 1.821 141 c CB -0.235 42.293 42.510 0.030 0.000 2.637 141 c HN 0.379 nan 8.230 nan 0.000 0.605 142 K N 2.744 123.159 120.400 0.026 0.000 2.358 142 K HA 0.134 4.454 4.320 -0.000 0.000 0.200 142 K C 0.894 177.499 176.600 0.009 0.000 1.030 142 K CA 0.129 56.427 56.287 0.019 0.000 1.097 142 K CB 0.156 32.670 32.500 0.024 0.000 0.862 142 K HN 0.865 nan 8.250 nan 0.000 0.534 143 T N -2.307 112.248 114.554 0.002 0.000 2.860 143 T HA 0.180 4.530 4.350 -0.000 0.000 0.299 143 T C 1.513 176.209 174.700 -0.006 0.000 1.045 143 T CA -0.242 61.855 62.100 -0.006 0.000 1.071 143 T CB 1.571 70.430 68.868 -0.017 0.000 0.985 143 T HN 0.177 nan 8.240 nan 0.000 0.537 144 G N 0.447 109.243 108.800 -0.006 0.000 2.443 144 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.219 144 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.219 144 G C 1.673 176.567 174.900 -0.011 0.000 1.131 144 G CA 0.702 45.798 45.100 -0.007 0.000 0.775 144 G HN 0.946 nan 8.290 nan 0.000 0.547 145 S N -1.217 114.475 115.700 -0.014 0.000 2.486 145 S HA 0.373 4.843 4.470 -0.000 0.000 0.220 145 S C 1.941 176.527 174.600 -0.023 0.000 1.011 145 S CA 1.031 59.219 58.200 -0.019 0.000 0.921 145 S CB 0.163 63.350 63.200 -0.021 0.000 0.785 145 S HN 1.471 nan 8.310 nan 0.000 0.517 146 G N 0.717 109.504 108.800 -0.021 0.000 2.195 146 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.246 146 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.246 146 G C -0.370 174.512 174.900 -0.030 0.000 0.984 146 G CA 0.247 45.334 45.100 -0.021 0.000 0.633 146 G HN 0.564 nan 8.290 nan 0.000 0.525 147 D N -0.245 120.132 120.400 -0.038 0.000 2.385 147 D HA 0.598 5.238 4.640 -0.000 0.000 0.254 147 D C 0.944 177.206 176.300 -0.063 0.000 1.053 147 D CA -0.657 53.311 54.000 -0.054 0.000 0.992 147 D CB 0.848 41.616 40.800 -0.053 0.000 1.145 147 D HN 0.218 nan 8.370 nan 0.000 0.523 148 I N 1.364 121.879 120.570 -0.091 0.000 2.517 148 I HA -0.011 4.158 4.170 -0.000 0.000 0.285 148 I C 1.315 177.383 176.117 -0.082 0.000 1.106 148 I CA 0.626 61.843 61.300 -0.139 0.000 1.402 148 I CB 0.430 38.279 38.000 -0.251 0.000 1.399 148 I HN 0.314 nan 8.210 nan 0.000 0.535 149 E N 4.100 124.259 120.200 -0.070 0.000 2.330 149 E HA 0.104 4.454 4.350 -0.000 0.000 0.200 149 E C 0.384 176.998 176.600 0.023 0.000 0.922 149 E CA 0.099 56.494 56.400 -0.009 0.000 0.935 149 E CB 0.534 30.228 29.700 -0.009 0.000 0.917 149 E HN 0.617 nan 8.360 nan 0.000 0.491 150 N N -0.393 118.293 118.700 -0.024 0.000 2.480 150 N HA 0.087 4.827 4.740 -0.000 0.000 0.289 150 N C -0.688 174.806 175.510 -0.028 0.000 1.073 150 N CA -0.178 52.890 53.050 0.030 0.000 0.885 150 N CB 0.793 39.292 38.487 0.019 0.000 1.421 150 N HN -0.077 nan 8.380 nan 0.000 0.503 151 Y N 2.430 122.728 120.300 -0.003 0.000 2.578 151 Y HA 0.069 4.619 4.550 -0.001 0.000 0.297 151 Y C 1.356 177.248 175.900 -0.014 0.000 1.176 151 Y CA 0.655 58.749 58.100 -0.010 0.000 1.315 151 Y CB 0.025 38.477 38.460 -0.013 0.000 1.031 151 Y HN 0.640 nan 8.280 nan 0.000 0.524 152 N N -0.523 118.235 118.700 0.097 0.000 2.467 152 N HA -0.078 4.662 4.740 -0.000 0.000 0.184 152 N C -0.253 175.272 175.510 0.025 0.000 1.106 152 N CA 0.341 53.426 53.050 0.058 0.000 0.892 152 N CB 0.216 38.733 38.487 0.049 0.000 0.969 152 N HN 0.092 nan 8.380 nan 0.000 0.454 153 D N 0.061 120.460 120.400 -0.002 0.000 2.473 153 D HA 0.299 4.938 4.640 -0.000 0.000 0.226 153 D C 0.642 176.915 176.300 -0.045 0.000 1.089 153 D CA -0.580 53.413 54.000 -0.011 0.000 0.883 153 D CB 0.761 41.554 40.800 -0.012 0.000 1.029 153 D HN 0.086 nan 8.370 nan 0.000 0.517 154 A N 2.886 125.688 122.820 -0.029 0.000 2.076 154 A HA -0.152 4.168 4.320 -0.000 0.000 0.220 154 A C 1.964 179.465 177.584 -0.139 0.000 1.160 154 A CA 1.641 53.622 52.037 -0.092 0.000 0.653 154 A CB -0.385 18.586 19.000 -0.049 0.000 0.801 154 A HN 0.575 nan 8.150 nan 0.000 0.455 155 T N 0.217 114.782 114.554 0.018 0.000 2.809 155 T HA -0.139 4.211 4.350 -0.000 0.000 0.260 155 T C 2.118 176.843 174.700 0.043 0.000 1.039 155 T CA 1.552 63.739 62.100 0.146 0.000 1.141 155 T CB -0.256 68.740 68.868 0.213 0.000 0.869 155 T HN 0.890 nan 8.240 nan 0.000 0.437 156 Q N 0.927 120.718 119.800 -0.015 0.000 2.297 156 Q HA 0.013 4.353 4.340 -0.000 0.000 0.204 156 Q C 2.031 177.957 176.000 -0.122 0.000 0.962 156 Q CA 0.937 56.712 55.803 -0.047 0.000 0.879 156 Q CB -0.575 28.127 28.738 -0.059 0.000 0.947 156 Q HN 0.287 nan 8.270 nan 0.000 0.462 157 V N 0.817 120.613 119.914 -0.198 0.000 2.594 157 V HA -0.182 3.938 4.120 -0.000 0.000 0.253 157 V C 1.951 177.964 176.094 -0.135 0.000 1.069 157 V CA 1.924 64.078 62.300 -0.243 0.000 1.082 157 V CB -0.375 31.262 31.823 -0.308 0.000 0.680 157 V HN 0.285 nan 8.190 nan 0.000 0.469 158 R N -0.595 119.756 120.500 -0.247 0.000 2.195 158 R HA 0.092 4.432 4.340 -0.000 0.000 0.197 158 R C 1.518 177.782 176.300 -0.059 0.000 0.990 158 R CA 0.635 56.546 56.100 -0.316 0.000 1.048 158 R CB -0.034 29.633 30.300 -1.056 0.000 0.997 158 R HN 0.407 nan 8.270 nan 0.000 0.502 159 D N -1.235 119.189 120.400 0.039 0.000 2.389 159 D HA 0.117 4.757 4.640 -0.000 0.000 0.206 159 D C 0.001 176.339 176.300 0.063 0.000 1.055 159 D CA 0.266 54.339 54.000 0.122 0.000 0.856 159 D CB 0.355 41.267 40.800 0.186 0.000 0.957 159 D HN 0.078 nan 8.370 nan 0.000 0.509 160 c N 0.739 119.346 118.600 0.011 0.000 2.354 160 c HA 0.469 5.039 4.570 -0.000 0.000 0.381 160 c C 0.740 174.808 174.090 -0.037 0.000 1.240 160 c CA -0.976 55.346 56.329 -0.012 0.000 2.089 160 c CB 1.358 43.844 42.510 -0.039 0.000 2.234 160 c HN 0.062 nan 8.230 nan 0.000 0.544 161 R N 1.153 121.625 120.500 -0.048 0.000 2.401 161 R HA 0.266 4.606 4.340 -0.000 0.000 0.299 161 R C -0.573 175.643 176.300 -0.141 0.000 1.064 161 R CA -0.415 55.637 56.100 -0.079 0.000 1.000 161 R CB 0.236 30.496 30.300 -0.067 0.000 0.973 161 R HN 0.483 nan 8.270 nan 0.000 0.438 162 L N 4.900 125.988 121.223 -0.224 0.000 2.407 162 L HA -0.003 4.337 4.340 -0.000 0.000 0.282 162 L C 0.394 177.123 176.870 -0.236 0.000 1.110 162 L CA 0.720 55.377 54.840 -0.304 0.000 0.863 162 L CB 0.066 41.801 42.059 -0.540 0.000 1.207 162 L HN 0.930 nan 8.230 nan 0.000 0.454 163 T N 1.485 115.946 114.554 -0.155 0.000 3.852 163 T HA -0.185 4.165 4.350 -0.000 0.000 0.361 163 T C 1.129 175.741 174.700 -0.147 0.000 0.759 163 T CA 1.137 63.155 62.100 -0.137 0.000 1.899 163 T CB -2.418 66.356 68.868 -0.156 0.000 1.822 163 T HN 2.336 nan 8.240 nan 0.000 0.778 164 G N -1.190 107.535 108.800 -0.126 0.000 2.217 164 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.246 164 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.246 164 G C 0.000 174.835 174.900 -0.109 0.000 0.990 164 G CA -0.138 44.899 45.100 -0.106 0.000 0.627 164 G HN 0.956 nan 8.290 nan 0.000 0.522 165 L N 1.796 122.921 121.223 -0.163 0.000 2.477 165 L HA 0.359 4.699 4.340 -0.000 0.000 0.272 165 L C 1.354 178.191 176.870 -0.056 0.000 1.157 165 L CA -0.131 54.611 54.840 -0.162 0.000 0.889 165 L CB 0.367 42.162 42.059 -0.439 0.000 1.158 165 L HN 0.247 nan 8.230 nan 0.000 0.473 166 L N 3.798 125.022 121.223 0.002 0.000 2.628 166 L HA -0.083 4.257 4.340 -0.000 0.000 0.274 166 L C 0.340 177.345 176.870 0.226 0.000 1.209 166 L CA 0.233 55.091 54.840 0.031 0.000 0.930 166 L CB -0.063 41.902 42.059 -0.156 0.000 1.183 166 L HN 0.564 nan 8.230 nan 0.000 0.492 167 D N 3.819 124.364 120.400 0.242 0.000 2.280 167 D HA 0.339 4.979 4.640 -0.000 0.000 0.243 167 D C -0.282 176.146 176.300 0.213 0.000 1.129 167 D CA -0.283 53.843 54.000 0.210 0.000 0.848 167 D CB 0.864 41.736 40.800 0.120 0.000 1.107 167 D HN 0.248 nan 8.370 nan 0.000 0.471 168 L N 2.434 123.662 121.223 0.008 0.000 2.416 168 L HA 0.315 4.655 4.340 -0.000 0.000 0.272 168 L C 0.661 177.440 176.870 -0.152 0.000 1.161 168 L CA -0.685 53.973 54.840 -0.304 0.000 0.845 168 L CB 0.975 42.809 42.059 -0.373 0.000 1.119 168 L HN 0.489 nan 8.230 nan 0.000 0.464 169 A N 5.232 127.932 122.820 -0.200 0.000 2.990 169 A HA 0.273 4.593 4.320 -0.000 0.000 0.282 169 A C 1.085 178.650 177.584 -0.033 0.000 1.688 169 A CA -0.337 51.670 52.037 -0.050 0.000 1.391 169 A CB -0.574 18.416 19.000 -0.017 0.000 1.112 169 A HN 0.836 nan 8.150 nan 0.000 0.588 170 L N 0.775 122.000 121.223 0.003 0.000 2.642 170 L HA -0.119 4.221 4.340 -0.000 0.000 0.236 170 L C 2.492 179.385 176.870 0.037 0.000 1.169 170 L CA 1.103 55.955 54.840 0.019 0.000 0.851 170 L CB -0.228 41.865 42.059 0.056 0.000 0.968 170 L HN 0.862 nan 8.230 nan 0.000 0.453 171 E N 0.970 121.194 120.200 0.041 0.000 2.385 171 E HA -0.049 4.301 4.350 -0.000 0.000 0.194 171 E C 0.351 176.963 176.600 0.020 0.000 1.013 171 E CA 0.083 56.496 56.400 0.021 0.000 0.866 171 E CB 0.225 29.923 29.700 -0.003 0.000 0.832 171 E HN 0.362 nan 8.360 nan 0.000 0.500 172 K N 1.657 122.079 120.400 0.035 0.000 2.322 172 K HA 0.022 4.342 4.320 -0.000 0.000 0.283 172 K C 0.160 176.800 176.600 0.066 0.000 1.042 172 K CA 0.113 56.437 56.287 0.061 0.000 0.958 172 K CB 1.139 33.698 32.500 0.098 0.000 0.984 172 K HN -0.062 nan 8.250 nan 0.000 0.473 173 D N 1.992 122.433 120.400 0.069 0.000 2.149 173 D HA -0.237 4.403 4.640 -0.000 0.000 0.198 173 D C 1.495 177.846 176.300 0.085 0.000 0.990 173 D CA 1.391 55.427 54.000 0.059 0.000 0.839 173 D CB 0.050 40.882 40.800 0.054 0.000 0.948 173 D HN 0.614 nan 8.370 nan 0.000 0.460 174 Y N 0.362 120.681 120.300 0.032 0.000 2.128 174 Y HA -0.193 4.357 4.550 -0.000 0.000 0.284 174 Y C 2.074 178.030 175.900 0.095 0.000 1.154 174 Y CA 1.425 59.559 58.100 0.057 0.000 1.149 174 Y CB -0.533 37.970 38.460 0.071 0.000 0.976 174 Y HN -0.076 nan 8.280 nan 0.000 0.505 175 V N 0.704 120.633 119.914 0.025 0.000 2.427 175 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 175 V C 2.404 178.462 176.094 -0.060 0.000 1.051 175 V CA 2.185 64.478 62.300 -0.011 0.000 1.048 175 V CB -0.597 31.212 31.823 -0.023 0.000 0.666 175 V HN 0.325 nan 8.190 nan 0.000 0.456 176 R N -0.152 120.318 120.500 -0.050 0.000 2.096 176 R HA -0.117 4.223 4.340 -0.000 0.000 0.235 176 R C 2.540 178.780 176.300 -0.100 0.000 1.127 176 R CA 1.666 57.730 56.100 -0.061 0.000 0.968 176 R CB -0.351 29.929 30.300 -0.034 0.000 0.861 176 R HN 0.449 nan 8.270 nan 0.000 0.440 177 S N 0.369 115.997 115.700 -0.119 0.000 2.387 177 S HA -0.025 4.445 4.470 -0.000 0.000 0.226 177 S C 1.604 176.089 174.600 -0.190 0.000 1.026 177 S CA 0.805 58.925 58.200 -0.134 0.000 0.972 177 S CB 0.092 63.232 63.200 -0.100 0.000 0.814 177 S HN 0.146 nan 8.310 nan 0.000 0.477 178 K N 1.533 121.767 120.400 -0.276 0.000 2.097 178 K HA 0.117 4.437 4.320 -0.000 0.000 0.206 178 K C 1.835 178.285 176.600 -0.249 0.000 1.049 178 K CA 0.905 57.031 56.287 -0.269 0.000 0.933 178 K CB -0.619 31.674 32.500 -0.346 0.000 0.717 178 K HN 0.396 nan 8.250 nan 0.000 0.442 179 I N 0.705 121.145 120.570 -0.218 0.000 2.286 179 I HA -0.211 3.959 4.170 -0.000 0.000 0.245 179 I C 2.302 178.258 176.117 -0.269 0.000 1.104 179 I CA 0.982 62.105 61.300 -0.296 0.000 1.397 179 I CB -0.273 37.620 38.000 -0.179 0.000 1.072 179 I HN 0.018 nan 8.210 nan 0.000 0.417 180 A N 0.171 122.859 122.820 -0.219 0.000 1.930 180 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 180 A C 2.293 179.744 177.584 -0.222 0.000 1.175 180 A CA 1.781 53.682 52.037 -0.228 0.000 0.627 180 A CB -0.617 18.280 19.000 -0.172 0.000 0.815 180 A HN 0.487 nan 8.150 nan 0.000 0.443 181 E N -1.360 118.737 120.200 -0.173 0.000 2.085 181 E HA -0.269 4.081 4.350 -0.000 0.000 0.194 181 E C 1.846 178.399 176.600 -0.078 0.000 0.994 181 E CA 1.717 58.046 56.400 -0.120 0.000 0.801 181 E CB -0.353 29.289 29.700 -0.096 0.000 0.743 181 E HN 0.716 nan 8.360 nan 0.000 0.453 182 Y N 0.876 121.004 120.300 -0.286 0.000 2.114 182 Y HA -0.177 4.372 4.550 -0.000 0.000 0.284 182 Y C 2.088 177.887 175.900 -0.169 0.000 1.143 182 Y CA 2.006 59.945 58.100 -0.268 0.000 1.135 182 Y CB -0.432 37.634 38.460 -0.657 0.000 0.980 182 Y HN 0.024 nan 8.280 nan 0.000 0.499 183 M N 0.106 119.387 119.600 -0.531 0.000 2.175 183 M HA -0.204 4.276 4.480 -0.000 0.000 0.264 183 M C 1.730 177.868 176.300 -0.271 0.000 1.063 183 M CA 1.524 56.460 55.300 -0.607 0.000 1.119 183 M CB -0.399 31.727 32.600 -0.790 0.000 1.377 183 M HN 0.235 nan 8.290 nan 0.000 0.415 184 N N -0.331 118.206 118.700 -0.271 0.000 2.244 184 N HA -0.166 4.574 4.740 -0.000 0.000 0.183 184 N C 1.588 177.047 175.510 -0.084 0.000 1.016 184 N CA 1.200 54.068 53.050 -0.303 0.000 0.866 184 N CB -0.517 37.603 38.487 -0.612 0.000 0.980 184 N HN 0.421 nan 8.380 nan 0.000 0.430 185 H N 1.030 120.026 119.070 -0.124 0.000 2.353 185 H HA 0.054 4.610 4.556 -0.000 0.000 0.300 185 H C 2.003 177.331 175.328 -0.001 0.000 1.090 185 H CA 1.414 57.445 56.048 -0.029 0.000 1.327 185 H CB -0.369 29.390 29.762 -0.005 0.000 1.383 185 H HN 0.104 nan 8.280 nan 0.000 0.508 186 L N -0.521 120.604 121.223 -0.164 0.000 2.056 186 L HA -0.111 4.229 4.340 -0.000 0.000 0.207 186 L C 2.619 179.454 176.870 -0.059 0.000 1.078 186 L CA 1.182 55.936 54.840 -0.144 0.000 0.749 186 L CB -0.367 41.636 42.059 -0.094 0.000 0.901 186 L HN 0.288 nan 8.230 nan 0.000 0.433 187 I N 0.072 120.647 120.570 0.009 0.000 2.163 187 I HA -0.309 3.861 4.170 -0.000 0.000 0.243 187 I C 1.972 178.113 176.117 0.042 0.000 1.085 187 I CA 1.312 62.615 61.300 0.005 0.000 1.347 187 I CB -0.373 37.655 38.000 0.048 0.000 1.044 187 I HN 0.270 nan 8.210 nan 0.000 0.408 188 D N 0.682 121.130 120.400 0.081 0.000 2.263 188 D HA -0.102 4.538 4.640 -0.000 0.000 0.208 188 D C 2.138 178.507 176.300 0.115 0.000 0.971 188 D CA 1.092 55.171 54.000 0.132 0.000 0.867 188 D CB -0.099 40.804 40.800 0.173 0.000 0.929 188 D HN 0.370 nan 8.370 nan 0.000 0.492 189 I N -0.648 119.945 120.570 0.038 0.000 2.546 189 I HA -0.041 4.129 4.170 -0.000 0.000 0.255 189 I C 1.706 177.893 176.117 0.116 0.000 1.163 189 I CA 1.104 62.430 61.300 0.043 0.000 1.457 189 I CB 0.239 38.208 38.000 -0.053 0.000 1.092 189 I HN 0.175 nan 8.210 nan 0.000 0.434 190 G N 0.350 109.195 108.800 0.076 0.000 2.370 190 G HA2 -0.164 3.795 3.960 -0.000 0.000 0.174 190 G HA3 -0.164 3.795 3.960 -0.000 0.000 0.174 190 G C 0.364 175.189 174.900 -0.125 0.000 1.002 190 G CA -0.044 45.097 45.100 0.069 0.000 0.730 190 G HN 0.202 nan 8.290 nan 0.000 0.497 191 V N -0.085 119.694 119.914 -0.225 0.000 2.872 191 V HA 0.675 4.795 4.120 -0.000 0.000 0.307 191 V C 1.308 177.126 176.094 -0.460 0.000 1.072 191 V CA 1.104 63.173 62.300 -0.384 0.000 1.148 191 V CB 1.413 32.968 31.823 -0.448 0.000 0.954 191 V HN 1.363 nan 8.190 nan 0.000 0.490 192 A N 3.093 125.580 122.820 -0.555 0.000 2.195 192 A HA 0.743 5.063 4.320 -0.000 0.000 0.210 192 A C 1.195 178.600 177.584 -0.299 0.000 1.165 192 A CA 0.721 52.445 52.037 -0.523 0.000 0.806 192 A CB -0.458 18.287 19.000 -0.425 0.000 0.847 192 A HN 2.054 nan 8.150 nan 0.000 0.482 193 G N -2.086 106.482 108.800 -0.386 0.000 2.342 193 G HA2 0.494 4.454 3.960 -0.000 0.000 0.297 193 G HA3 0.494 4.454 3.960 -0.000 0.000 0.297 193 G C -1.580 173.012 174.900 -0.512 0.000 1.313 193 G CA -0.689 44.336 45.100 -0.124 0.000 0.830 193 G HN 0.169 nan 8.290 nan 0.000 0.506 194 F N -0.547 119.410 119.950 0.011 0.000 2.613 194 F HA 0.688 5.215 4.527 -0.000 0.000 0.310 194 F C 0.214 175.672 175.800 -0.570 0.000 1.085 194 F CA -0.895 57.001 58.000 -0.173 0.000 0.945 194 F CB 2.538 41.427 39.000 -0.184 0.000 1.298 194 F HN 0.450 nan 8.300 nan 0.000 0.455 195 R N 3.158 123.400 120.500 -0.431 0.000 2.215 195 R HA 0.515 4.854 4.340 -0.000 0.000 0.336 195 R C -1.562 174.568 176.300 -0.284 0.000 0.996 195 R CA -0.402 55.201 56.100 -0.829 0.000 0.847 195 R CB 0.464 30.370 30.300 -0.657 0.000 1.127 195 R HN 0.785 nan 8.270 nan 0.000 0.465 196 L N 4.724 125.800 121.223 -0.245 0.000 2.312 196 L HA 0.150 4.490 4.340 -0.000 0.000 0.287 196 L C 0.238 177.096 176.870 -0.020 0.000 1.091 196 L CA -0.432 54.351 54.840 -0.094 0.000 0.846 196 L CB 0.606 42.615 42.059 -0.084 0.000 1.219 196 L HN 0.630 nan 8.230 nan 0.000 0.439 197 D N 3.523 123.958 120.400 0.057 0.000 2.414 197 D HA 0.262 4.902 4.640 -0.000 0.000 0.242 197 D C 0.912 177.300 176.300 0.146 0.000 1.129 197 D CA 0.583 54.673 54.000 0.150 0.000 0.885 197 D CB 0.939 41.903 40.800 0.272 0.000 1.198 197 D HN 0.720 nan 8.370 nan 0.000 0.437 198 A N 2.701 125.631 122.820 0.183 0.000 2.704 198 A HA -0.247 4.073 4.320 -0.000 0.000 0.299 198 A C 1.811 179.480 177.584 0.141 0.000 1.507 198 A CA 1.180 53.371 52.037 0.258 0.000 0.776 198 A CB -2.081 17.151 19.000 0.387 0.000 1.027 198 A HN 0.446 nan 8.150 nan 0.000 0.475 199 S N -0.622 115.077 115.700 -0.003 0.000 2.419 199 S HA -0.150 4.320 4.470 -0.000 0.000 0.233 199 S C 1.853 176.329 174.600 -0.207 0.000 1.016 199 S CA 1.482 59.621 58.200 -0.101 0.000 0.974 199 S CB -0.139 62.927 63.200 -0.223 0.000 0.786 199 S HN 0.886 nan 8.310 nan 0.000 0.492 200 K N 0.775 120.990 120.400 -0.308 0.000 2.209 200 K HA -0.139 4.181 4.320 -0.000 0.000 0.204 200 K C 1.047 177.440 176.600 -0.344 0.000 1.048 200 K CA 1.203 57.276 56.287 -0.356 0.000 0.940 200 K CB -0.149 32.095 32.500 -0.426 0.000 0.729 200 K HN 0.458 nan 8.250 nan 0.000 0.451 201 H N -0.281 118.766 119.070 -0.038 0.000 2.533 201 H HA 0.178 4.734 4.556 -0.000 0.000 0.271 201 H C 0.093 175.360 175.328 -0.102 0.000 1.000 201 H CA 0.358 56.361 56.048 -0.075 0.000 1.149 201 H CB 0.038 29.791 29.762 -0.014 0.000 1.375 201 H HN 0.198 nan 8.280 nan 0.000 0.582 202 M N -0.345 119.260 119.600 0.007 0.000 2.535 202 M HA 0.200 4.680 4.480 -0.000 0.000 0.314 202 M C -0.948 175.358 176.300 0.010 0.000 1.153 202 M CA -0.849 54.467 55.300 0.027 0.000 0.924 202 M CB 2.279 34.952 32.600 0.120 0.000 1.710 202 M HN -0.016 nan 8.290 nan 0.000 0.451 203 W N 2.304 123.655 121.300 0.085 0.000 2.253 203 W HA 0.228 4.888 4.660 -0.000 0.000 0.322 203 W C -1.734 174.773 176.519 -0.021 0.000 1.342 203 W CA -0.988 56.365 57.345 0.014 0.000 1.218 203 W CB -0.163 29.291 29.460 -0.010 0.000 1.205 203 W HN 0.491 nan 8.180 nan 0.000 0.551 204 P HA -0.218 nan 4.420 nan 0.000 0.216 204 P C 1.698 179.023 177.300 0.041 0.000 1.150 204 P CA 2.417 65.451 63.100 -0.108 0.000 0.843 204 P CB 0.102 31.568 31.700 -0.391 0.000 0.787 205 G N -0.618 108.231 108.800 0.081 0.000 2.422 205 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.218 205 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.218 205 G C 1.245 176.182 174.900 0.061 0.000 1.140 205 G CA 0.658 45.787 45.100 0.048 0.000 0.775 205 G HN 0.176 nan 8.290 nan 0.000 0.545 206 D N 0.633 121.106 120.400 0.121 0.000 2.117 206 D HA -0.037 4.603 4.640 -0.000 0.000 0.198 206 D C 2.556 178.897 176.300 0.069 0.000 0.982 206 D CA 0.350 54.409 54.000 0.099 0.000 0.828 206 D CB -0.096 40.803 40.800 0.165 0.000 0.967 206 D HN 0.347 nan 8.370 nan 0.000 0.464 207 I N 0.680 121.305 120.570 0.092 0.000 2.179 207 I HA -0.280 3.889 4.170 -0.000 0.000 0.242 207 I C 2.346 178.480 176.117 0.028 0.000 1.088 207 I CA 1.013 62.350 61.300 0.062 0.000 1.357 207 I CB -0.119 37.950 38.000 0.116 0.000 1.051 207 I HN -0.069 nan 8.210 nan 0.000 0.409 208 K N 1.647 122.070 120.400 0.038 0.000 2.063 208 K HA -0.166 4.154 4.320 -0.000 0.000 0.208 208 K C 2.082 178.683 176.600 0.002 0.000 1.048 208 K CA 1.725 58.024 56.287 0.019 0.000 0.928 208 K CB -0.321 32.194 32.500 0.025 0.000 0.713 208 K HN 0.273 nan 8.250 nan 0.000 0.442 209 A N 0.587 123.410 122.820 0.004 0.000 1.940 209 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 209 A C 2.187 179.757 177.584 -0.022 0.000 1.176 209 A CA 1.745 53.778 52.037 -0.006 0.000 0.631 209 A CB -0.626 18.373 19.000 -0.002 0.000 0.814 209 A HN 0.390 nan 8.150 nan 0.000 0.446 210 I N -0.601 119.949 120.570 -0.033 0.000 2.333 210 I HA -0.178 3.992 4.170 -0.000 0.000 0.246 210 I C 2.204 178.270 176.117 -0.085 0.000 1.106 210 I CA 0.783 62.042 61.300 -0.067 0.000 1.411 210 I CB -0.268 37.681 38.000 -0.085 0.000 1.082 210 I HN 0.261 nan 8.210 nan 0.000 0.420 211 L N 0.352 121.533 121.223 -0.069 0.000 2.191 211 L HA -0.223 4.117 4.340 -0.000 0.000 0.212 211 L C 1.830 178.672 176.870 -0.047 0.000 1.103 211 L CA 1.050 55.848 54.840 -0.070 0.000 0.769 211 L CB -0.667 41.361 42.059 -0.051 0.000 0.908 211 L HN 0.258 nan 8.230 nan 0.000 0.438 212 D N 0.341 120.722 120.400 -0.031 0.000 2.264 212 D HA -0.123 4.517 4.640 -0.000 0.000 0.208 212 D C 1.802 178.095 176.300 -0.012 0.000 0.966 212 D CA 1.056 55.047 54.000 -0.015 0.000 0.864 212 D CB 0.077 40.872 40.800 -0.008 0.000 0.933 212 D HN 0.317 nan 8.370 nan 0.000 0.499 213 K N -0.340 120.042 120.400 -0.031 0.000 2.404 213 K HA 0.082 4.402 4.320 -0.000 0.000 0.194 213 K C 0.022 176.596 176.600 -0.042 0.000 1.023 213 K CA -0.364 55.906 56.287 -0.028 0.000 1.094 213 K CB 0.730 33.197 32.500 -0.054 0.000 0.841 213 K HN -0.035 nan 8.250 nan 0.000 0.523 214 L N 1.439 122.630 121.223 -0.052 0.000 2.371 214 L HA 0.149 4.489 4.340 -0.000 0.000 0.272 214 L C 0.462 177.366 176.870 0.056 0.000 1.124 214 L CA -0.077 54.718 54.840 -0.073 0.000 0.816 214 L CB 0.418 42.431 42.059 -0.075 0.000 1.129 214 L HN 0.150 nan 8.230 nan 0.000 0.448 215 H N 1.219 120.280 119.070 -0.016 0.000 2.597 215 H HA 0.211 4.767 4.556 -0.000 0.000 0.370 215 H C -0.055 175.265 175.328 -0.013 0.000 1.281 215 H CA -0.688 55.355 56.048 -0.008 0.000 1.422 215 H CB 0.710 30.473 29.762 0.002 0.000 1.524 215 H HN 0.594 nan 8.280 nan 0.000 0.607 216 N N 0.016 118.792 118.700 0.126 0.000 2.445 216 N HA 0.129 4.869 4.740 -0.000 0.000 0.264 216 N C -0.441 175.084 175.510 0.024 0.000 1.227 216 N CA -0.631 52.446 53.050 0.044 0.000 0.963 216 N CB 0.804 39.306 38.487 0.025 0.000 1.188 216 N HN 0.193 nan 8.380 nan 0.000 0.491 217 L N 1.133 122.313 121.223 -0.072 0.000 2.483 217 L HA 0.014 4.354 4.340 -0.000 0.000 0.275 217 L C 0.764 177.666 176.870 0.053 0.000 1.220 217 L CA -0.093 54.639 54.840 -0.181 0.000 0.833 217 L CB -0.048 41.597 42.059 -0.691 0.000 1.102 217 L HN 0.602 nan 8.230 nan 0.000 0.490 218 N N 0.320 119.125 118.700 0.174 0.000 2.315 218 N HA -0.110 4.630 4.740 -0.000 0.000 0.270 218 N C 1.072 176.782 175.510 0.334 0.000 1.329 218 N CA 0.292 53.516 53.050 0.290 0.000 0.860 218 N CB 0.604 39.353 38.487 0.437 0.000 1.095 218 N HN 0.632 nan 8.380 nan 0.000 0.487 219 S N 2.379 118.173 115.700 0.156 0.000 2.547 219 S HA -0.051 4.419 4.470 -0.000 0.000 0.235 219 S C 1.136 175.749 174.600 0.021 0.000 0.980 219 S CA 0.259 58.521 58.200 0.103 0.000 0.941 219 S CB -0.031 63.192 63.200 0.039 0.000 0.763 219 S HN 0.621 nan 8.310 nan 0.000 0.532 220 N N 0.002 118.667 118.700 -0.059 0.000 2.416 220 N HA 0.053 4.793 4.740 -0.000 0.000 0.177 220 N C 0.516 175.796 175.510 -0.383 0.000 1.036 220 N CA 0.810 53.673 53.050 -0.312 0.000 0.901 220 N CB -0.015 38.111 38.487 -0.601 0.000 0.976 220 N HN 0.608 nan 8.380 nan 0.000 0.444 221 W N -0.599 120.660 121.300 -0.069 0.000 2.835 221 W HA 0.296 4.956 4.660 -0.000 0.000 0.278 221 W C -0.296 175.897 176.519 -0.543 0.000 1.075 221 W CA -0.164 56.979 57.345 -0.337 0.000 1.439 221 W CB 0.232 29.384 29.460 -0.514 0.000 0.927 221 W HN -0.193 nan 8.180 nan 0.000 0.604 222 F N 1.710 121.766 119.950 0.176 0.000 2.561 222 F HA 0.487 5.014 4.527 -0.000 0.000 0.321 222 F C -1.791 174.039 175.800 0.050 0.000 1.065 222 F CA -2.749 55.307 58.000 0.094 0.000 0.934 222 F CB 0.343 39.389 39.000 0.077 0.000 1.215 222 F HN -0.424 nan 8.300 nan 0.000 0.471 223 P HA 0.173 nan 4.420 nan 0.000 0.271 223 P C -0.691 176.677 177.300 0.113 0.000 1.218 223 P CA -0.294 62.876 63.100 0.118 0.000 0.780 223 P CB 0.600 32.353 31.700 0.088 0.000 0.901 224 A N 1.992 124.854 122.820 0.070 0.000 2.555 224 A HA 0.362 4.682 4.320 -0.000 0.000 0.233 224 A C 1.553 179.165 177.584 0.047 0.000 1.060 224 A CA 0.871 52.939 52.037 0.052 0.000 0.759 224 A CB -1.437 17.581 19.000 0.030 0.000 0.995 224 A HN 0.951 nan 8.150 nan 0.000 0.506 225 G N 1.050 109.872 108.800 0.037 0.000 2.179 225 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.260 225 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.260 225 G C 0.495 175.411 174.900 0.028 0.000 0.977 225 G CA 0.468 45.585 45.100 0.029 0.000 0.641 225 G HN 1.269 nan 8.290 nan 0.000 0.533 226 S N 1.339 117.061 115.700 0.036 0.000 2.516 226 S HA 0.407 4.877 4.470 -0.000 0.000 0.282 226 S C 0.567 175.148 174.600 -0.031 0.000 1.286 226 S CA 0.142 58.350 58.200 0.014 0.000 1.066 226 S CB 0.894 64.114 63.200 0.032 0.000 0.884 226 S HN 0.442 nan 8.310 nan 0.000 0.491 227 K N 3.931 124.315 120.400 -0.027 0.000 2.123 227 K HA 0.401 4.720 4.320 -0.000 0.000 0.259 227 K C -2.533 174.044 176.600 -0.037 0.000 0.960 227 K CA -2.239 54.031 56.287 -0.028 0.000 0.872 227 K CB 0.820 33.308 32.500 -0.019 0.000 1.079 227 K HN 0.328 nan 8.250 nan 0.000 0.440 228 P HA -0.055 nan 4.420 nan 0.000 0.268 228 P C -0.562 176.813 177.300 0.125 0.000 1.205 228 P CA -0.198 62.913 63.100 0.019 0.000 0.771 228 P CB 0.298 32.058 31.700 0.099 0.000 0.858 229 F N 4.573 124.524 119.950 0.003 0.000 2.543 229 F HA 0.206 4.733 4.527 -0.000 0.000 0.375 229 F C -0.174 175.692 175.800 0.109 0.000 1.075 229 F CA -0.592 57.432 58.000 0.039 0.000 1.225 229 F CB -0.142 38.913 39.000 0.091 0.000 1.099 229 F HN 0.115 nan 8.300 nan 0.000 0.561 230 I N 8.845 129.266 120.570 -0.249 0.000 2.418 230 I HA 0.179 4.348 4.170 -0.000 0.000 0.287 230 I C -1.215 174.675 176.117 -0.378 0.000 1.008 230 I CA -0.772 60.364 61.300 -0.275 0.000 1.104 230 I CB 1.193 39.121 38.000 -0.120 0.000 1.264 230 I HN 0.542 nan 8.210 nan 0.000 0.438 231 Y N 3.451 123.438 120.300 -0.521 0.000 2.326 231 Y HA 0.681 5.231 4.550 -0.000 0.000 0.329 231 Y C -0.585 175.227 175.900 -0.147 0.000 0.973 231 Y CA -1.262 56.623 58.100 -0.358 0.000 1.162 231 Y CB 0.786 38.977 38.460 -0.449 0.000 1.147 231 Y HN 0.489 nan 8.280 nan 0.000 0.456 232 Q N 2.645 122.455 119.800 0.016 0.000 2.256 232 Q HA 0.200 4.540 4.340 -0.000 0.000 0.254 232 Q C -0.525 175.482 176.000 0.013 0.000 0.916 232 Q CA -0.696 55.087 55.803 -0.034 0.000 0.932 232 Q CB 1.876 30.585 28.738 -0.049 0.000 1.207 232 Q HN 0.699 nan 8.270 nan 0.000 0.426 233 E N 3.063 123.271 120.200 0.014 0.000 2.003 233 E HA 0.159 4.509 4.350 -0.000 0.000 0.279 233 E C -1.344 175.276 176.600 0.033 0.000 1.132 233 E CA -0.181 56.293 56.400 0.123 0.000 0.888 233 E CB 0.444 30.235 29.700 0.152 0.000 1.056 233 E HN 0.333 nan 8.360 nan 0.000 0.399 234 V N 7.234 127.192 119.914 0.073 0.000 2.447 234 V HA 0.275 4.395 4.120 -0.000 0.000 0.292 234 V C 0.127 176.267 176.094 0.076 0.000 1.021 234 V CA -0.657 61.602 62.300 -0.068 0.000 0.850 234 V CB 1.429 33.104 31.823 -0.247 0.000 1.005 234 V HN 0.597 nan 8.190 nan 0.000 0.426 235 I N 4.205 124.722 120.570 -0.088 0.000 2.311 235 I HA 0.236 4.406 4.170 -0.000 0.000 0.297 235 I C -0.157 175.914 176.117 -0.077 0.000 1.131 235 I CA 0.366 61.545 61.300 -0.201 0.000 1.289 235 I CB 0.304 38.023 38.000 -0.468 0.000 1.446 235 I HN 0.558 nan 8.210 nan 0.000 0.524 236 D N 7.875 128.297 120.400 0.037 0.000 2.438 236 D HA 0.399 5.039 4.640 -0.000 0.000 0.257 236 D C -0.144 176.190 176.300 0.057 0.000 1.148 236 D CA -0.284 53.738 54.000 0.036 0.000 0.902 236 D CB 0.687 41.522 40.800 0.059 0.000 1.062 236 D HN 0.277 nan 8.370 nan 0.000 0.518 237 L N 1.198 122.437 121.223 0.027 0.000 2.945 237 L HA 0.668 5.008 4.340 -0.000 0.000 0.171 237 L C 1.670 178.565 176.870 0.041 0.000 1.669 237 L CA -1.046 53.820 54.840 0.044 0.000 1.963 237 L CB -0.293 41.781 42.059 0.025 0.000 2.719 237 L HN 0.301 nan 8.230 nan 0.000 0.570 238 G N -1.768 107.054 108.800 0.036 0.000 2.543 238 G HA2 0.390 4.350 3.960 -0.000 0.000 0.290 238 G HA3 0.390 4.350 3.960 -0.000 0.000 0.290 238 G C 0.555 175.465 174.900 0.017 0.000 1.310 238 G CA -0.104 45.014 45.100 0.030 0.000 1.025 238 G HN 0.944 nan 8.290 nan 0.000 0.502 239 G N -1.221 107.588 108.800 0.015 0.000 2.379 239 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.297 239 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.297 239 G C 0.168 175.079 174.900 0.017 0.000 1.004 239 G CA 1.087 46.195 45.100 0.013 0.000 0.921 239 G HN 0.702 nan 8.290 nan 0.000 0.511 240 E N -0.857 119.355 120.200 0.021 0.000 2.256 240 E HA 0.382 4.732 4.350 -0.000 0.000 0.267 240 E C -1.280 175.337 176.600 0.028 0.000 0.892 240 E CA -1.987 54.431 56.400 0.032 0.000 0.775 240 E CB 1.963 31.684 29.700 0.035 0.000 1.207 240 E HN 0.049 nan 8.360 nan 0.000 0.420 241 P HA -0.047 nan 4.420 nan 0.000 0.222 241 P C 0.201 177.511 177.300 0.016 0.000 1.147 241 P CA 0.981 64.094 63.100 0.022 0.000 0.790 241 P CB 0.378 32.091 31.700 0.022 0.000 0.780 242 I N 0.463 121.044 120.570 0.019 0.000 2.342 242 I HA 0.142 4.311 4.170 -0.000 0.000 0.291 242 I C 0.474 176.616 176.117 0.042 0.000 1.010 242 I CA -0.489 60.826 61.300 0.026 0.000 1.308 242 I CB 0.918 38.930 38.000 0.020 0.000 1.400 242 I HN -0.246 nan 8.210 nan 0.000 0.488 243 K N 3.759 124.186 120.400 0.044 0.000 2.259 243 K HA 0.319 4.638 4.320 -0.000 0.000 0.252 243 K C 0.824 177.466 176.600 0.069 0.000 0.936 243 K CA -0.591 55.713 56.287 0.029 0.000 0.810 243 K CB 1.712 34.199 32.500 -0.022 0.000 1.143 243 K HN 0.607 nan 8.250 nan 0.000 0.427 244 S N -0.135 115.596 115.700 0.051 0.000 2.474 244 S HA -0.186 4.284 4.470 -0.000 0.000 0.235 244 S C 1.763 176.266 174.600 -0.162 0.000 0.997 244 S CA 1.253 59.505 58.200 0.086 0.000 0.949 244 S CB -0.450 62.820 63.200 0.116 0.000 0.766 244 S HN 0.660 nan 8.310 nan 0.000 0.517 245 S N 2.040 117.448 115.700 -0.488 0.000 2.447 245 S HA -0.116 4.354 4.470 -0.000 0.000 0.233 245 S C 1.166 175.297 174.600 -0.781 0.000 1.006 245 S CA 0.960 58.363 58.200 -1.329 0.000 0.957 245 S CB -0.560 62.204 63.200 -0.726 0.000 0.773 245 S HN 0.412 nan 8.310 nan 0.000 0.507 246 D N 0.581 120.793 120.400 -0.314 0.000 2.310 246 D HA -0.019 4.621 4.640 -0.000 0.000 0.212 246 D C 0.503 176.619 176.300 -0.307 0.000 0.965 246 D CA 0.904 54.743 54.000 -0.269 0.000 0.879 246 D CB -0.248 40.377 40.800 -0.292 0.000 0.921 246 D HN 0.628 nan 8.370 nan 0.000 0.510 247 Y N -1.102 119.139 120.300 -0.098 0.000 2.507 247 Y HA 0.128 4.678 4.550 -0.000 0.000 0.254 247 Y C 1.423 177.471 175.900 0.247 0.000 1.171 247 Y CA -0.475 57.664 58.100 0.066 0.000 1.238 247 Y CB 0.017 38.524 38.460 0.078 0.000 1.148 247 Y HN -0.175 nan 8.280 nan 0.000 0.525 248 F N -0.010 120.070 119.950 0.216 0.000 2.202 248 F HA -0.094 4.433 4.527 -0.000 0.000 0.301 248 F C 2.309 178.271 175.800 0.269 0.000 1.082 248 F CA 1.099 59.225 58.000 0.211 0.000 1.313 248 F CB -1.214 37.858 39.000 0.120 0.000 1.024 248 F HN 0.123 nan 8.300 nan 0.000 0.495 249 G N -0.732 108.292 108.800 0.373 0.000 2.679 249 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.212 249 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.212 249 G C 1.498 176.531 174.900 0.223 0.000 1.137 249 G CA 0.488 45.759 45.100 0.285 0.000 0.787 249 G HN 0.269 nan 8.290 nan 0.000 0.534 250 N N 0.041 118.872 118.700 0.218 0.000 2.414 250 N HA 0.247 4.987 4.740 -0.000 0.000 0.177 250 N C 1.099 176.610 175.510 0.002 0.000 1.062 250 N CA 0.990 54.099 53.050 0.099 0.000 0.890 250 N CB 1.284 39.851 38.487 0.133 0.000 1.070 250 N HN 0.421 nan 8.380 nan 0.000 0.454 251 G N -0.189 108.696 108.800 0.142 0.000 2.368 251 G HA2 0.124 4.084 3.960 -0.000 0.000 0.269 251 G HA3 0.124 4.084 3.960 -0.000 0.000 0.269 251 G C -1.280 173.833 174.900 0.356 0.000 1.291 251 G CA -0.878 44.251 45.100 0.049 0.000 0.903 251 G HN -0.060 nan 8.290 nan 0.000 0.483 252 R N -0.979 119.668 120.500 0.246 0.000 2.652 252 R HA 0.604 4.944 4.340 -0.000 0.000 0.271 252 R C 0.039 176.460 176.300 0.202 0.000 1.129 252 R CA 0.112 56.344 56.100 0.220 0.000 1.200 252 R CB 1.158 31.552 30.300 0.156 0.000 1.146 252 R HN 1.074 nan 8.270 nan 0.000 0.581 253 V N -2.810 117.227 119.914 0.205 0.000 3.007 253 V HA 0.412 4.532 4.120 -0.000 0.000 0.311 253 V C -0.058 176.139 176.094 0.172 0.000 1.120 253 V CA -1.132 61.289 62.300 0.203 0.000 0.980 253 V CB 1.822 33.806 31.823 0.268 0.000 1.033 253 V HN 0.911 nan 8.190 nan 0.000 0.429 254 T N -0.270 114.397 114.554 0.187 0.000 2.799 254 T HA 0.401 4.751 4.350 -0.000 0.000 0.296 254 T C -0.081 174.673 174.700 0.091 0.000 0.947 254 T CA 0.033 62.232 62.100 0.164 0.000 1.141 254 T CB 0.836 69.817 68.868 0.188 0.000 0.891 254 T HN 0.998 nan 8.240 nan 0.000 0.533 255 E N 2.609 122.760 120.200 -0.082 0.000 1.924 255 E HA 0.293 4.642 4.350 -0.000 0.000 0.261 255 E C -0.349 176.037 176.600 -0.356 0.000 1.088 255 E CA -1.108 55.200 56.400 -0.152 0.000 0.909 255 E CB -0.633 28.961 29.700 -0.178 0.000 1.112 255 E HN 0.687 nan 8.360 nan 0.000 0.425 256 F N 2.359 122.233 119.950 -0.126 0.000 2.502 256 F HA 0.016 4.543 4.527 0.000 0.000 0.298 256 F C 1.685 177.378 175.800 -0.178 0.000 1.111 256 F CA 0.696 58.624 58.000 -0.121 0.000 1.445 256 F CB 0.226 39.248 39.000 0.035 0.000 1.081 256 F HN 0.362 nan 8.300 nan 0.000 0.558 257 K N -1.057 119.282 120.400 -0.102 0.000 2.217 257 K HA -0.192 4.128 4.320 -0.000 0.000 0.202 257 K C 1.698 178.073 176.600 -0.376 0.000 1.051 257 K CA 0.945 57.137 56.287 -0.158 0.000 0.952 257 K CB -0.328 32.099 32.500 -0.121 0.000 0.736 257 K HN 0.244 nan 8.250 nan 0.000 0.453 258 Y N 1.256 121.053 120.300 -0.839 0.000 2.070 258 Y HA -0.226 4.323 4.550 -0.000 0.000 0.280 258 Y C 2.408 178.180 175.900 -0.214 0.000 1.148 258 Y CA 2.063 59.721 58.100 -0.736 0.000 1.125 258 Y CB -0.718 37.307 38.460 -0.726 0.000 0.975 258 Y HN 0.048 nan 8.280 nan 0.000 0.492 259 G N -0.716 108.052 108.800 -0.054 0.000 2.408 259 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.217 259 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.217 259 G C 1.770 176.669 174.900 -0.001 0.000 1.150 259 G CA 0.875 45.968 45.100 -0.012 0.000 0.776 259 G HN 0.619 nan 8.290 nan 0.000 0.542 260 A N 0.769 123.605 122.820 0.026 0.000 1.877 260 A HA 0.015 4.335 4.320 -0.000 0.000 0.216 260 A C 2.399 180.016 177.584 0.056 0.000 1.186 260 A CA 1.899 53.972 52.037 0.060 0.000 0.620 260 A CB -0.256 18.803 19.000 0.099 0.000 0.822 260 A HN 0.193 nan 8.150 nan 0.000 0.443 261 K N -0.662 119.807 120.400 0.114 0.000 2.057 261 K HA -0.026 4.294 4.320 -0.000 0.000 0.206 261 K C 1.853 178.461 176.600 0.012 0.000 1.050 261 K CA 0.969 57.381 56.287 0.209 0.000 0.935 261 K CB -0.936 31.856 32.500 0.487 0.000 0.715 261 K HN 0.407 nan 8.250 nan 0.000 0.439 262 L N 0.908 122.057 121.223 -0.124 0.000 2.083 262 L HA -0.063 4.277 4.340 -0.000 0.000 0.209 262 L C 2.033 178.687 176.870 -0.358 0.000 1.083 262 L CA 2.003 56.567 54.840 -0.460 0.000 0.752 262 L CB -1.025 40.724 42.059 -0.516 0.000 0.899 262 L HN 0.245 nan 8.230 nan 0.000 0.433 263 G N -1.755 106.905 108.800 -0.233 0.000 2.421 263 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.216 263 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.216 263 G C 1.544 176.200 174.900 -0.406 0.000 1.171 263 G CA 1.338 46.269 45.100 -0.282 0.000 0.775 263 G HN 0.497 nan 8.290 nan 0.000 0.543 264 T N -0.912 113.469 114.554 -0.287 0.000 2.867 264 T HA -0.060 4.290 4.350 -0.000 0.000 0.268 264 T C 2.281 176.868 174.700 -0.189 0.000 1.057 264 T CA 1.495 63.447 62.100 -0.246 0.000 1.136 264 T CB -0.361 68.548 68.868 0.069 0.000 0.874 264 T HN 0.010 nan 8.240 nan 0.000 0.466 265 V N 1.040 120.844 119.914 -0.183 0.000 2.307 265 V HA 0.008 4.128 4.120 -0.000 0.000 0.245 265 V C 2.661 178.574 176.094 -0.301 0.000 1.045 265 V CA 1.506 63.685 62.300 -0.202 0.000 1.024 265 V CB -0.544 31.098 31.823 -0.302 0.000 0.651 265 V HN 0.439 nan 8.190 nan 0.000 0.449 266 I N -0.555 119.784 120.570 -0.386 0.000 2.394 266 I HA -0.157 4.013 4.170 -0.000 0.000 0.251 266 I C 2.487 178.420 176.117 -0.305 0.000 1.136 266 I CA 1.371 62.448 61.300 -0.370 0.000 1.425 266 I CB -0.225 37.543 38.000 -0.387 0.000 1.079 266 I HN 0.146 nan 8.210 nan 0.000 0.425 267 R N 0.788 121.056 120.500 -0.386 0.000 2.299 267 R HA 0.043 4.383 4.340 -0.000 0.000 0.197 267 R C 0.202 176.388 176.300 -0.189 0.000 0.971 267 R CA 0.152 56.001 56.100 -0.419 0.000 1.030 267 R CB 0.028 29.713 30.300 -1.024 0.000 0.932 267 R HN 0.169 nan 8.270 nan 0.000 0.477 268 K N -0.437 119.879 120.400 -0.141 0.000 3.117 268 K HA -0.165 4.155 4.320 -0.000 0.000 0.269 268 K C -1.035 175.688 176.600 0.206 0.000 1.098 268 K CA 0.389 56.676 56.287 0.001 0.000 0.785 268 K CB -1.087 31.407 32.500 -0.009 0.000 1.242 268 K HN 0.137 nan 8.250 nan 0.000 0.491 269 W N 1.367 122.653 121.300 -0.024 0.000 2.251 269 W HA 0.185 4.845 4.660 0.000 0.000 0.329 269 W C 0.898 177.424 176.519 0.011 0.000 1.234 269 W CA -0.434 56.907 57.345 -0.006 0.000 1.228 269 W CB -0.260 29.199 29.460 -0.002 0.000 1.135 269 W HN 0.260 nan 8.180 nan 0.000 0.576 270 N N 0.837 119.659 118.700 0.203 0.000 2.705 270 N HA -0.176 4.564 4.740 -0.000 0.000 0.255 270 N C 0.837 176.419 175.510 0.120 0.000 1.008 270 N CA 0.456 53.577 53.050 0.118 0.000 0.742 270 N CB -1.175 37.384 38.487 0.120 0.000 0.906 270 N HN 0.942 nan 8.380 nan 0.000 0.541 271 G N -1.036 107.827 108.800 0.105 0.000 2.186 271 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.266 271 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.266 271 G C 0.043 175.005 174.900 0.103 0.000 0.982 271 G CA 0.900 46.057 45.100 0.094 0.000 0.670 271 G HN 0.672 nan 8.290 nan 0.000 0.533 272 E N 0.459 120.731 120.200 0.119 0.000 2.390 272 E HA 0.468 4.817 4.350 -0.000 0.000 0.261 272 E C 0.523 177.058 176.600 -0.108 0.000 1.076 272 E CA 0.344 56.808 56.400 0.107 0.000 0.905 272 E CB 0.622 30.425 29.700 0.171 0.000 0.984 272 E HN 0.702 nan 8.360 nan 0.000 0.427 273 K N 0.684 120.886 120.400 -0.331 0.000 2.536 273 K HA 0.336 4.656 4.320 -0.000 0.000 0.269 273 K C 0.460 176.867 176.600 -0.322 0.000 0.965 273 K CA -0.837 55.223 56.287 -0.378 0.000 0.860 273 K CB 1.094 33.302 32.500 -0.487 0.000 1.423 273 K HN 0.288 nan 8.250 nan 0.000 0.438 274 M N 1.171 120.610 119.600 -0.267 0.000 2.279 274 M HA -0.150 4.329 4.480 -0.000 0.000 0.264 274 M C 1.722 178.010 176.300 -0.020 0.000 1.062 274 M CA 1.970 57.126 55.300 -0.240 0.000 1.099 274 M CB -0.351 32.072 32.600 -0.295 0.000 1.394 274 M HN 0.869 nan 8.290 nan 0.000 0.426 275 S N -0.438 115.254 115.700 -0.013 0.000 2.469 275 S HA -0.145 4.325 4.470 -0.000 0.000 0.238 275 S C 1.438 176.254 174.600 0.361 0.000 0.998 275 S CA 0.761 59.097 58.200 0.226 0.000 0.957 275 S CB -0.655 62.607 63.200 0.103 0.000 0.764 275 S HN 0.436 nan 8.310 nan 0.000 0.514 276 Y N 1.519 121.914 120.300 0.158 0.000 2.583 276 Y HA 0.343 4.893 4.550 -0.000 0.000 0.293 276 Y C 1.653 177.727 175.900 0.290 0.000 1.157 276 Y CA -0.828 57.391 58.100 0.197 0.000 1.315 276 Y CB -0.731 37.864 38.460 0.225 0.000 1.021 276 Y HN 0.308 nan 8.280 nan 0.000 0.536 277 L N -0.250 121.113 121.223 0.234 0.000 2.650 277 L HA -0.062 4.278 4.340 -0.000 0.000 0.235 277 L C 2.258 179.004 176.870 -0.207 0.000 1.149 277 L CA 0.423 55.233 54.840 -0.049 0.000 0.887 277 L CB -0.282 41.553 42.059 -0.374 0.000 1.021 277 L HN 0.081 nan 8.230 nan 0.000 0.441 278 K N 1.785 121.934 120.400 -0.418 0.000 2.074 278 K HA -0.193 4.127 4.320 -0.000 0.000 0.209 278 K C 1.154 177.460 176.600 -0.490 0.000 1.048 278 K CA 1.841 57.515 56.287 -1.022 0.000 0.926 278 K CB 0.083 32.151 32.500 -0.720 0.000 0.713 278 K HN 0.416 nan 8.250 nan 0.000 0.444 279 N N -0.243 118.372 118.700 -0.141 0.000 2.453 279 N HA -0.070 4.670 4.740 -0.000 0.000 0.270 279 N C -0.708 174.811 175.510 0.016 0.000 1.195 279 N CA -0.483 52.530 53.050 -0.062 0.000 0.902 279 N CB -0.554 37.923 38.487 -0.015 0.000 1.186 279 N HN 0.257 nan 8.380 nan 0.000 0.510 280 W N 1.427 122.476 121.300 -0.419 0.000 2.257 280 W HA 0.314 4.973 4.660 -0.001 0.000 0.337 280 W C 0.493 176.617 176.519 -0.660 0.000 1.321 280 W CA 1.978 58.819 57.345 -0.841 0.000 1.267 280 W CB 0.409 29.347 29.460 -0.870 0.000 1.187 280 W HN 0.475 nan 8.180 nan 0.000 0.565 281 G N 3.712 111.653 108.800 -1.433 0.000 2.317 281 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.196 281 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.196 281 G C 0.436 174.865 174.900 -0.784 0.000 1.255 281 G CA 0.024 44.455 45.100 -1.115 0.000 1.243 281 G HN 0.511 nan 8.290 nan 0.000 0.535 282 E N 0.609 120.661 120.200 -0.247 0.000 2.160 282 E HA -0.015 4.335 4.350 -0.000 0.000 0.195 282 E C 2.464 178.959 176.600 -0.174 0.000 0.991 282 E CA 1.062 57.404 56.400 -0.096 0.000 0.810 282 E CB -0.365 29.364 29.700 0.048 0.000 0.742 282 E HN 0.697 nan 8.360 nan 0.000 0.466 283 G N 0.035 108.732 108.800 -0.172 0.000 2.498 283 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.219 283 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.219 283 G C 0.490 175.272 174.900 -0.196 0.000 1.119 283 G CA 0.168 45.191 45.100 -0.129 0.000 0.766 283 G HN 0.259 nan 8.290 nan 0.000 0.552 284 W N -0.247 120.629 121.300 -0.707 0.000 3.316 284 W HA 0.447 5.107 4.660 -0.000 0.000 0.327 284 W C 1.578 177.704 176.519 -0.655 0.000 1.232 284 W CA -0.357 56.492 57.345 -0.826 0.000 1.805 284 W CB 0.123 28.712 29.460 -1.452 0.000 1.090 284 W HN 0.280 nan 8.180 nan 0.000 0.654 285 G N -0.522 108.128 108.800 -0.250 0.000 2.132 285 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.234 285 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.234 285 G C 0.014 175.020 174.900 0.176 0.000 0.989 285 G CA -0.548 44.529 45.100 -0.038 0.000 0.676 285 G HN -0.018 nan 8.290 nan 0.000 0.522 286 F N 0.389 120.298 119.950 -0.068 0.000 2.378 286 F HA 0.612 5.139 4.527 -0.000 0.000 0.319 286 F C 1.463 177.322 175.800 0.097 0.000 1.155 286 F CA -1.357 56.614 58.000 -0.049 0.000 1.157 286 F CB 0.393 39.214 39.000 -0.297 0.000 1.252 286 F HN 0.318 nan 8.300 nan 0.000 0.550 287 V N -0.355 119.795 119.914 0.393 0.000 3.237 287 V HA 0.301 4.421 4.120 -0.000 0.000 0.305 287 V C -2.462 173.802 176.094 0.282 0.000 1.096 287 V CA -1.848 60.670 62.300 0.363 0.000 1.130 287 V CB -0.394 31.672 31.823 0.406 0.000 1.048 287 V HN 0.513 nan 8.190 nan 0.000 0.484 288 P HA 0.070 nan 4.420 nan 0.000 0.267 288 P C 0.957 178.179 177.300 -0.131 0.000 1.200 288 P CA 0.545 63.637 63.100 -0.014 0.000 0.772 288 P CB 0.661 32.266 31.700 -0.160 0.000 0.855 289 S N 2.140 117.719 115.700 -0.202 0.000 2.383 289 S HA -0.190 4.280 4.470 -0.000 0.000 0.229 289 S C 1.226 175.594 174.600 -0.388 0.000 1.030 289 S CA 1.877 59.733 58.200 -0.573 0.000 1.002 289 S CB -0.929 62.016 63.200 -0.426 0.000 0.829 289 S HN 0.615 nan 8.310 nan 0.000 0.467 290 D N -0.346 119.892 120.400 -0.271 0.000 2.363 290 D HA 0.000 4.640 4.640 -0.000 0.000 0.226 290 D C 1.284 177.430 176.300 -0.256 0.000 1.020 290 D CA 0.244 54.105 54.000 -0.233 0.000 0.892 290 D CB -0.208 40.458 40.800 -0.224 0.000 0.900 290 D HN 0.263 nan 8.370 nan 0.000 0.531 291 R N -0.224 120.098 120.500 -0.296 0.000 2.549 291 R HA 0.456 4.795 4.340 -0.000 0.000 0.344 291 R C -0.168 176.072 176.300 -0.100 0.000 0.979 291 R CA -0.226 55.712 56.100 -0.270 0.000 1.140 291 R CB 0.868 30.740 30.300 -0.713 0.000 1.377 291 R HN 0.177 nan 8.270 nan 0.000 0.541 292 A N 1.430 124.172 122.820 -0.130 0.000 2.317 292 A HA 0.565 4.884 4.320 -0.000 0.000 0.327 292 A C -0.744 176.812 177.584 -0.047 0.000 1.178 292 A CA -0.495 51.494 52.037 -0.080 0.000 0.817 292 A CB 1.124 20.025 19.000 -0.165 0.000 1.189 292 A HN 0.110 nan 8.150 nan 0.000 0.489 293 L N 4.977 126.201 121.223 0.001 0.000 2.294 293 L HA 0.612 4.952 4.340 -0.000 0.000 0.283 293 L C -0.352 176.497 176.870 -0.035 0.000 1.015 293 L CA -0.304 54.547 54.840 0.019 0.000 0.831 293 L CB 0.795 42.846 42.059 -0.014 0.000 1.217 293 L HN 0.685 nan 8.230 nan 0.000 0.420 294 V N 3.119 122.935 119.914 -0.163 0.000 2.975 294 V HA 0.834 4.954 4.120 -0.000 0.000 0.318 294 V C -0.689 175.281 176.094 -0.206 0.000 1.077 294 V CA -0.636 61.374 62.300 -0.483 0.000 1.000 294 V CB 1.906 33.135 31.823 -0.991 0.000 1.066 294 V HN 0.713 nan 8.190 nan 0.000 0.452 295 F N -1.333 118.418 119.950 -0.333 0.000 2.746 295 F HA 0.713 5.240 4.527 -0.000 0.000 0.311 295 F C -0.024 175.775 175.800 -0.002 0.000 1.135 295 F CA -0.880 57.030 58.000 -0.151 0.000 0.954 295 F CB 0.617 39.535 39.000 -0.136 0.000 1.276 295 F HN 0.251 nan 8.300 nan 0.000 0.440 296 V N 0.157 120.190 119.914 0.198 0.000 2.346 296 V HA 0.003 4.123 4.120 -0.000 0.000 0.244 296 V C 0.270 176.537 176.094 0.287 0.000 1.037 296 V CA 2.109 64.515 62.300 0.177 0.000 1.029 296 V CB -0.537 31.337 31.823 0.084 0.000 0.663 296 V HN 0.920 nan 8.190 nan 0.000 0.454 297 D N -0.983 119.665 120.400 0.415 0.000 2.581 297 D HA 0.465 5.105 4.640 -0.000 0.000 0.232 297 D C -0.692 175.795 176.300 0.311 0.000 1.143 297 D CA -0.198 54.031 54.000 0.381 0.000 0.881 297 D CB 2.200 43.174 40.800 0.290 0.000 1.500 297 D HN 0.266 nan 8.370 nan 0.000 0.458 298 S N -1.145 114.643 115.700 0.147 0.000 2.671 298 S HA 0.289 4.759 4.470 -0.000 0.000 0.299 298 S C 1.360 175.845 174.600 -0.192 0.000 1.116 298 S CA -0.595 57.536 58.200 -0.115 0.000 0.912 298 S CB 1.196 64.218 63.200 -0.297 0.000 1.130 298 S HN 0.704 nan 8.310 nan 0.000 0.501 299 H N 0.370 119.242 119.070 -0.330 0.000 2.457 299 H HA -0.101 4.455 4.556 -0.000 0.000 0.297 299 H C 0.549 175.475 175.328 -0.671 0.000 1.092 299 H CA 1.748 57.333 56.048 -0.773 0.000 1.309 299 H CB -0.442 28.551 29.762 -1.283 0.000 1.382 299 H HN 0.638 nan 8.280 nan 0.000 0.535 300 D N 1.534 121.354 120.400 -0.965 0.000 2.107 300 D HA -0.123 4.517 4.640 -0.000 0.000 0.204 300 D C 1.848 178.048 176.300 -0.167 0.000 0.978 300 D CA 1.453 55.115 54.000 -0.563 0.000 0.852 300 D CB -0.207 40.343 40.800 -0.416 0.000 1.008 300 D HN 0.576 nan 8.370 nan 0.000 0.458 301 N N 1.073 119.747 118.700 -0.043 0.000 2.461 301 N HA -0.136 4.604 4.740 -0.000 0.000 0.188 301 N C 1.426 176.989 175.510 0.089 0.000 1.134 301 N CA 0.440 53.538 53.050 0.081 0.000 0.878 301 N CB -0.592 38.008 38.487 0.188 0.000 0.972 301 N HN 0.353 nan 8.380 nan 0.000 0.456 302 Q N 0.632 120.449 119.800 0.029 0.000 2.435 302 Q HA -0.009 4.331 4.340 -0.000 0.000 0.207 302 Q C 0.710 176.833 176.000 0.205 0.000 0.956 302 Q CA 0.534 56.399 55.803 0.104 0.000 0.917 302 Q CB -0.046 28.733 28.738 0.069 0.000 0.997 302 Q HN 0.525 nan 8.270 nan 0.000 0.497 303 R N -0.716 119.845 120.500 0.102 0.000 2.629 303 R HA 0.420 4.760 4.340 -0.000 0.000 0.386 303 R C 0.613 177.019 176.300 0.176 0.000 1.071 303 R CA 0.042 56.245 56.100 0.173 0.000 1.104 303 R CB 0.439 30.688 30.300 -0.085 0.000 1.370 303 R HN 0.206 nan 8.270 nan 0.000 0.574 304 G N 1.275 110.162 108.800 0.145 0.000 2.166 304 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.260 304 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.260 304 G C 0.376 175.290 174.900 0.023 0.000 0.986 304 G CA 0.460 45.616 45.100 0.093 0.000 0.683 304 G HN 0.567 nan 8.290 nan 0.000 0.527 305 H N 0.213 119.331 119.070 0.080 0.000 2.524 305 H HA 0.399 4.955 4.556 -0.000 0.000 0.280 305 H C 1.382 176.721 175.328 0.019 0.000 1.018 305 H CA 1.230 57.336 56.048 0.096 0.000 1.165 305 H CB 0.575 30.483 29.762 0.244 0.000 1.411 305 H HN 0.656 nan 8.280 nan 0.000 0.569 306 G N -0.823 108.021 108.800 0.074 0.000 2.788 306 G HA2 0.497 4.456 3.960 -0.000 0.000 0.293 306 G HA3 0.497 4.456 3.960 -0.000 0.000 0.293 306 G C -1.048 173.826 174.900 -0.044 0.000 1.392 306 G CA -0.223 44.862 45.100 -0.024 0.000 0.810 306 G HN 0.252 nan 8.290 nan 0.000 0.508 307 A N -1.385 121.340 122.820 -0.158 0.000 2.498 307 A HA 0.567 4.886 4.320 -0.000 0.000 0.239 307 A C 1.424 179.053 177.584 0.074 0.000 1.068 307 A CA 1.618 53.597 52.037 -0.097 0.000 0.766 307 A CB -0.072 18.785 19.000 -0.238 0.000 1.003 307 A HN 2.653 nan 8.150 nan 0.000 0.497 308 G N 0.701 109.549 108.800 0.080 0.000 2.612 308 G HA2 0.303 4.263 3.960 -0.000 0.000 0.200 308 G HA3 0.303 4.263 3.960 -0.000 0.000 0.200 308 G C 1.673 176.641 174.900 0.113 0.000 1.053 308 G CA 0.828 45.999 45.100 0.119 0.000 0.707 308 G HN 2.888 nan 8.290 nan 0.000 0.497 309 G N 0.457 109.317 108.800 0.101 0.000 2.550 309 G HA2 0.141 4.101 3.960 -0.000 0.000 0.277 309 G HA3 0.141 4.101 3.960 -0.000 0.000 0.277 309 G C 1.479 176.468 174.900 0.148 0.000 1.190 309 G CA 2.429 47.596 45.100 0.112 0.000 0.971 309 G HN 2.023 nan 8.290 nan 0.000 0.559 310 A N -0.338 122.601 122.820 0.199 0.000 2.066 310 A HA 0.276 4.596 4.320 -0.000 0.000 0.218 310 A C 2.724 180.468 177.584 0.267 0.000 1.157 310 A CA 2.951 55.151 52.037 0.271 0.000 0.670 310 A CB -0.692 18.507 19.000 0.331 0.000 0.804 310 A HN 2.179 nan 8.150 nan 0.000 0.453 311 S N -0.309 115.499 115.700 0.181 0.000 2.428 311 S HA 0.050 4.520 4.470 -0.000 0.000 0.230 311 S C 0.831 175.323 174.600 -0.180 0.000 1.014 311 S CA -0.057 58.003 58.200 -0.234 0.000 0.957 311 S CB -0.494 62.641 63.200 -0.109 0.000 0.784 311 S HN 0.263 nan 8.310 nan 0.000 0.499 312 I N 2.956 123.522 120.570 -0.007 0.000 2.826 312 I HA 0.071 4.241 4.170 -0.000 0.000 0.295 312 I C 0.367 176.502 176.117 0.030 0.000 1.213 312 I CA 0.057 61.381 61.300 0.039 0.000 1.436 312 I CB -0.546 37.523 38.000 0.114 0.000 1.348 312 I HN 0.356 nan 8.210 nan 0.000 0.570 313 L N 6.809 128.073 121.223 0.068 0.000 2.325 313 L HA 0.481 4.821 4.340 -0.000 0.000 0.279 313 L C 0.595 177.581 176.870 0.193 0.000 1.054 313 L CA -0.297 54.622 54.840 0.132 0.000 0.804 313 L CB 1.636 43.802 42.059 0.179 0.000 1.200 313 L HN 0.788 nan 8.230 nan 0.000 0.436 314 T N -1.942 112.577 114.554 -0.060 0.000 2.804 314 T HA 0.330 4.680 4.350 -0.000 0.000 0.290 314 T C 0.767 174.905 174.700 -0.937 0.000 1.099 314 T CA -0.634 61.134 62.100 -0.552 0.000 1.011 314 T CB 0.770 69.469 68.868 -0.281 0.000 1.291 314 T HN 0.432 nan 8.240 nan 0.000 0.523 315 F N -1.112 118.273 119.950 -0.941 0.000 2.307 315 F HA 0.144 4.671 4.527 -0.000 0.000 0.301 315 F C 1.686 177.389 175.800 -0.162 0.000 1.076 315 F CA 0.122 57.815 58.000 -0.512 0.000 1.383 315 F CB -0.981 37.775 39.000 -0.406 0.000 1.055 315 F HN 0.552 nan 8.300 nan 0.000 0.526 316 W N 1.604 122.481 121.300 -0.706 0.000 2.392 316 W HA -0.110 4.550 4.660 0.001 0.000 0.279 316 W C 0.765 177.215 176.519 -0.115 0.000 1.225 316 W CA 0.869 57.979 57.345 -0.392 0.000 1.233 316 W CB -0.194 28.966 29.460 -0.500 0.000 1.122 316 W HN 0.003 nan 8.180 nan 0.000 0.561 317 D N 0.020 120.489 120.400 0.114 0.000 3.163 317 D HA 0.249 4.889 4.640 -0.000 0.000 0.284 317 D C 1.480 177.913 176.300 0.222 0.000 1.368 317 D CA 0.290 54.374 54.000 0.139 0.000 0.895 317 D CB 0.150 41.009 40.800 0.098 0.000 1.061 317 D HN 0.022 nan 8.370 nan 0.000 0.496 318 A N 1.420 124.399 122.820 0.265 0.000 1.906 318 A HA -0.349 3.971 4.320 -0.000 0.000 0.222 318 A C 2.198 179.985 177.584 0.339 0.000 1.282 318 A CA 1.883 54.145 52.037 0.376 0.000 0.675 318 A CB -0.473 18.642 19.000 0.191 0.000 0.838 318 A HN 0.331 nan 8.150 nan 0.000 0.469 319 R N -0.689 119.933 120.500 0.203 0.000 2.080 319 R HA -0.084 4.255 4.340 -0.000 0.000 0.236 319 R C 2.168 178.564 176.300 0.160 0.000 1.137 319 R CA 1.914 58.115 56.100 0.168 0.000 0.943 319 R CB -0.410 29.954 30.300 0.106 0.000 0.846 319 R HN 0.578 nan 8.270 nan 0.000 0.431 320 L N -0.691 120.603 121.223 0.119 0.000 2.217 320 L HA -0.153 4.186 4.340 -0.000 0.000 0.211 320 L C 2.248 179.163 176.870 0.076 0.000 1.107 320 L CA 0.789 55.654 54.840 0.042 0.000 0.783 320 L CB -0.505 41.551 42.059 -0.006 0.000 0.919 320 L HN 0.301 nan 8.230 nan 0.000 0.442 321 Y N 1.388 121.724 120.300 0.060 0.000 2.145 321 Y HA -0.244 4.306 4.550 -0.000 0.000 0.286 321 Y C 2.558 178.523 175.900 0.109 0.000 1.145 321 Y CA 1.535 59.687 58.100 0.086 0.000 1.148 321 Y CB -0.101 38.463 38.460 0.173 0.000 0.981 321 Y HN -0.025 nan 8.280 nan 0.000 0.507 322 K N -0.470 120.060 120.400 0.217 0.000 2.103 322 K HA -0.244 4.076 4.320 -0.000 0.000 0.207 322 K C 2.267 178.843 176.600 -0.039 0.000 1.048 322 K CA 1.873 58.278 56.287 0.198 0.000 0.930 322 K CB -0.273 32.491 32.500 0.440 0.000 0.716 322 K HN 0.402 nan 8.250 nan 0.000 0.444 323 M N 0.311 119.791 119.600 -0.199 0.000 2.099 323 M HA -0.164 4.316 4.480 -0.000 0.000 0.262 323 M C 2.163 178.204 176.300 -0.432 0.000 1.067 323 M CA 1.636 56.573 55.300 -0.605 0.000 1.124 323 M CB -0.071 32.296 32.600 -0.388 0.000 1.353 323 M HN 0.198 nan 8.290 nan 0.000 0.410 324 A N -0.587 122.041 122.820 -0.320 0.000 1.877 324 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 324 A C 2.028 179.497 177.584 -0.191 0.000 1.186 324 A CA 1.952 53.813 52.037 -0.293 0.000 0.620 324 A CB -1.190 17.659 19.000 -0.252 0.000 0.822 324 A HN 0.393 nan 8.150 nan 0.000 0.443 325 V N -0.039 119.718 119.914 -0.261 0.000 2.407 325 V HA -0.180 3.940 4.120 -0.000 0.000 0.248 325 V C 2.781 178.842 176.094 -0.056 0.000 1.055 325 V CA 1.908 64.096 62.300 -0.187 0.000 1.049 325 V CB -1.440 30.204 31.823 -0.298 0.000 0.662 325 V HN 0.629 nan 8.190 nan 0.000 0.455 326 G N -0.958 107.805 108.800 -0.062 0.000 2.418 326 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.217 326 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.217 326 G C 1.569 176.528 174.900 0.099 0.000 1.158 326 G CA 0.938 46.053 45.100 0.026 0.000 0.771 326 G HN 0.497 nan 8.290 nan 0.000 0.545 327 F N 0.828 120.750 119.950 -0.047 0.000 2.134 327 F HA 0.033 4.560 4.527 -0.000 0.000 0.299 327 F C 2.615 178.471 175.800 0.092 0.000 1.097 327 F CA 1.955 59.953 58.000 -0.004 0.000 1.264 327 F CB -0.067 38.631 39.000 -0.503 0.000 1.001 327 F HN 0.149 nan 8.300 nan 0.000 0.479 328 M N 0.021 119.747 119.600 0.211 0.000 2.067 328 M HA -0.218 4.262 4.480 -0.000 0.000 0.260 328 M C 1.973 178.352 176.300 0.132 0.000 1.069 328 M CA 1.935 57.392 55.300 0.260 0.000 1.117 328 M CB -0.463 32.288 32.600 0.252 0.000 1.334 328 M HN 0.289 nan 8.290 nan 0.000 0.407 329 L N -0.022 121.234 121.223 0.054 0.000 2.275 329 L HA -0.096 4.244 4.340 -0.000 0.000 0.215 329 L C 2.526 179.432 176.870 0.061 0.000 1.119 329 L CA 0.801 55.654 54.840 0.023 0.000 0.790 329 L CB -0.693 41.359 42.059 -0.011 0.000 0.919 329 L HN 0.433 nan 8.230 nan 0.000 0.443 330 A N -2.178 120.656 122.820 0.024 0.000 2.030 330 A HA -0.055 4.265 4.320 -0.000 0.000 0.215 330 A C 1.154 178.945 177.584 0.345 0.000 1.164 330 A CA 0.127 52.220 52.037 0.093 0.000 0.697 330 A CB -0.287 18.591 19.000 -0.204 0.000 0.827 330 A HN 0.286 nan 8.150 nan 0.000 0.457 331 H N 0.989 120.122 119.070 0.104 0.000 2.610 331 H HA 0.178 4.734 4.556 -0.000 0.000 0.336 331 H C -1.711 173.686 175.328 0.116 0.000 1.087 331 H CA -1.382 54.682 56.048 0.027 0.000 1.405 331 H CB 1.506 31.110 29.762 -0.263 0.000 1.460 331 H HN 0.090 nan 8.280 nan 0.000 0.538 332 P HA -0.150 nan 4.420 nan 0.000 0.225 332 P C 0.245 177.637 177.300 0.154 0.000 1.148 332 P CA 0.650 63.755 63.100 0.008 0.000 0.779 332 P CB -0.181 31.466 31.700 -0.087 0.000 0.780 333 Y N 2.137 122.630 120.300 0.322 0.000 2.526 333 Y HA 0.335 4.885 4.550 -0.000 0.000 0.330 333 Y C 1.351 177.303 175.900 0.086 0.000 1.156 333 Y CA 1.140 59.370 58.100 0.215 0.000 1.419 333 Y CB -0.221 38.392 38.460 0.255 0.000 1.250 333 Y HN 0.288 nan 8.280 nan 0.000 0.540 334 G N 4.520 112.928 108.800 -0.655 0.000 2.740 334 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.250 334 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.250 334 G C -1.193 173.624 174.900 -0.139 0.000 1.358 334 G CA -0.091 44.722 45.100 -0.478 0.000 0.897 334 G HN 0.905 nan 8.290 nan 0.000 0.567 335 F N 1.879 121.693 119.950 -0.225 0.000 2.415 335 F HA 0.625 5.151 4.527 -0.000 0.000 0.348 335 F C 1.165 176.870 175.800 -0.159 0.000 1.119 335 F CA 0.055 57.955 58.000 -0.168 0.000 1.069 335 F CB 1.522 40.432 39.000 -0.149 0.000 1.124 335 F HN 0.797 nan 8.300 nan 0.000 0.472 336 T N 4.008 118.117 114.554 -0.742 0.000 2.837 336 T HA 0.445 4.795 4.350 -0.000 0.000 0.285 336 T C -0.400 174.050 174.700 -0.417 0.000 0.984 336 T CA -0.911 60.916 62.100 -0.455 0.000 1.049 336 T CB 1.430 70.097 68.868 -0.334 0.000 0.947 336 T HN 0.777 nan 8.240 nan 0.000 0.472 337 R N 2.437 122.844 120.500 -0.155 0.000 2.393 337 R HA 0.589 4.928 4.340 -0.000 0.000 0.315 337 R C -1.404 174.910 176.300 0.024 0.000 0.952 337 R CA -0.689 55.375 56.100 -0.061 0.000 0.842 337 R CB 1.319 31.592 30.300 -0.045 0.000 1.163 337 R HN 0.604 nan 8.270 nan 0.000 0.450 338 V N 5.599 125.542 119.914 0.049 0.000 2.509 338 V HA 0.297 4.417 4.120 -0.000 0.000 0.284 338 V C 0.275 176.431 176.094 0.105 0.000 1.047 338 V CA -0.621 61.736 62.300 0.096 0.000 0.952 338 V CB 1.479 33.400 31.823 0.164 0.000 0.988 338 V HN 0.795 nan 8.190 nan 0.000 0.469 339 M N 4.061 123.738 119.600 0.128 0.000 2.314 339 M HA 0.502 4.982 4.480 -0.000 0.000 0.342 339 M C -0.169 176.166 176.300 0.058 0.000 1.171 339 M CA 0.628 55.997 55.300 0.115 0.000 1.098 339 M CB 1.543 34.243 32.600 0.166 0.000 1.559 339 M HN 0.596 nan 8.290 nan 0.000 0.459 340 S N 2.516 118.219 115.700 0.006 0.000 2.779 340 S HA 0.766 5.236 4.470 -0.000 0.000 0.293 340 S C -1.256 173.424 174.600 0.133 0.000 1.150 340 S CA -0.621 57.594 58.200 0.025 0.000 1.057 340 S CB 0.489 63.610 63.200 -0.132 0.000 1.021 340 S HN 0.857 nan 8.310 nan 0.000 0.485 341 S N 3.115 118.886 115.700 0.119 0.000 2.823 341 S HA 0.835 5.305 4.470 -0.000 0.000 0.316 341 S C -1.210 173.513 174.600 0.205 0.000 1.116 341 S CA -0.837 57.462 58.200 0.165 0.000 0.911 341 S CB 0.589 63.819 63.200 0.051 0.000 1.276 341 S HN 0.773 nan 8.310 nan 0.000 0.565 342 Y N -0.998 119.405 120.300 0.172 0.000 2.536 342 Y HA 0.772 5.322 4.550 -0.000 0.000 0.347 342 Y C -0.384 175.538 175.900 0.036 0.000 1.000 342 Y CA -1.451 56.625 58.100 -0.040 0.000 1.051 342 Y CB 0.791 39.069 38.460 -0.304 0.000 1.259 342 Y HN 0.449 nan 8.280 nan 0.000 0.468 343 R N 1.588 122.172 120.500 0.141 0.000 2.441 343 R HA 0.390 4.730 4.340 -0.000 0.000 0.284 343 R C -1.454 175.176 176.300 0.549 0.000 1.070 343 R CA -0.300 55.932 56.100 0.220 0.000 1.047 343 R CB 0.780 31.097 30.300 0.028 0.000 1.016 343 R HN 0.949 nan 8.270 nan 0.000 0.477 344 W N 2.316 123.878 121.300 0.437 0.000 3.033 344 W HA 0.485 5.145 4.660 -0.001 0.000 0.336 344 W C -2.549 174.129 176.519 0.264 0.000 1.173 344 W CA -2.700 54.825 57.345 0.299 0.000 1.185 344 W CB 0.416 30.038 29.460 0.271 0.000 1.425 344 W HN 0.320 nan 8.180 nan 0.000 0.536 345 P HA 0.075 nan 4.420 nan 0.000 0.259 345 P C -0.199 177.040 177.300 -0.102 0.000 1.635 345 P CA 0.114 63.227 63.100 0.023 0.000 1.199 345 P CB 0.224 31.959 31.700 0.058 0.000 1.850 346 R N 2.799 123.032 120.500 -0.444 0.000 2.458 346 R HA 0.075 4.415 4.340 -0.000 0.000 0.303 346 R C 0.533 176.617 176.300 -0.361 0.000 1.013 346 R CA 0.354 56.112 56.100 -0.570 0.000 1.026 346 R CB 0.355 30.024 30.300 -1.051 0.000 0.948 346 R HN 0.468 nan 8.270 nan 0.000 0.417 347 Q N 4.400 124.016 119.800 -0.307 0.000 2.558 347 Q HA 0.204 4.544 4.340 -0.000 0.000 0.252 347 Q C -1.266 174.620 176.000 -0.189 0.000 1.015 347 Q CA -0.513 55.197 55.803 -0.156 0.000 0.720 347 Q CB 0.781 29.500 28.738 -0.032 0.000 1.215 347 Q HN 0.374 nan 8.270 nan 0.000 0.500 348 F N 1.663 121.593 119.950 -0.033 0.000 2.412 348 F HA 0.278 4.804 4.527 -0.001 0.000 0.348 348 F C 0.678 176.480 175.800 0.004 0.000 1.102 348 F CA 0.219 58.209 58.000 -0.017 0.000 1.196 348 F CB 0.980 39.949 39.000 -0.052 0.000 1.144 348 F HN 0.248 nan 8.300 nan 0.000 0.541 349 Q N 2.278 122.204 119.800 0.211 0.000 2.275 349 Q HA 0.251 4.591 4.340 -0.000 0.000 0.258 349 Q C -0.650 175.423 176.000 0.121 0.000 0.960 349 Q CA -0.812 55.071 55.803 0.132 0.000 0.801 349 Q CB 1.559 30.355 28.738 0.095 0.000 1.302 349 Q HN 0.607 nan 8.270 nan 0.000 0.433 350 N N 1.496 120.249 118.700 0.089 0.000 2.735 350 N HA -0.241 4.499 4.740 -0.000 0.000 0.248 350 N C 0.555 176.112 175.510 0.078 0.000 1.083 350 N CA 1.679 54.767 53.050 0.064 0.000 0.703 350 N CB -1.052 37.466 38.487 0.053 0.000 1.005 350 N HN 1.115 nan 8.380 nan 0.000 0.550 351 G N -1.193 107.671 108.800 0.107 0.000 2.199 351 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.254 351 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.254 351 G C -0.074 174.990 174.900 0.273 0.000 0.982 351 G CA 0.648 45.817 45.100 0.114 0.000 0.632 351 G HN 0.973 nan 8.290 nan 0.000 0.529 352 N N -0.166 118.699 118.700 0.276 0.000 2.319 352 N HA 0.511 5.251 4.740 -0.000 0.000 0.305 352 N C -1.166 174.425 175.510 0.135 0.000 1.103 352 N CA -0.624 52.571 53.050 0.242 0.000 0.815 352 N CB 1.907 40.466 38.487 0.120 0.000 1.288 352 N HN -0.008 nan 8.380 nan 0.000 0.493 353 D N 1.559 121.903 120.400 -0.093 0.000 2.339 353 D HA 0.022 4.662 4.640 -0.000 0.000 0.241 353 D C 1.148 177.423 176.300 -0.042 0.000 1.183 353 D CA -0.774 52.998 54.000 -0.380 0.000 0.859 353 D CB 1.159 41.619 40.800 -0.566 0.000 1.067 353 D HN 0.494 nan 8.370 nan 0.000 0.484 354 V N 1.841 121.766 119.914 0.019 0.000 3.305 354 V HA 0.062 4.182 4.120 -0.000 0.000 0.269 354 V C 0.681 176.946 176.094 0.284 0.000 1.157 354 V CA 0.720 63.124 62.300 0.173 0.000 1.157 354 V CB -0.476 31.447 31.823 0.166 0.000 0.772 354 V HN 0.351 nan 8.190 nan 0.000 0.498 355 N N 1.722 120.498 118.700 0.126 0.000 2.328 355 N HA 0.092 4.832 4.740 -0.000 0.000 0.247 355 N C 0.782 176.209 175.510 -0.139 0.000 1.165 355 N CA 0.711 53.723 53.050 -0.064 0.000 0.873 355 N CB 0.280 38.775 38.487 0.013 0.000 1.125 355 N HN 0.803 nan 8.380 nan 0.000 0.513 356 D N -0.620 119.838 120.400 0.097 0.000 2.378 356 D HA -0.120 4.519 4.640 -0.000 0.000 0.227 356 D C 1.515 178.035 176.300 0.366 0.000 1.012 356 D CA 0.134 54.222 54.000 0.147 0.000 0.905 356 D CB -0.420 40.570 40.800 0.316 0.000 0.895 356 D HN 0.479 nan 8.370 nan 0.000 0.532 357 W N 0.607 122.159 121.300 0.419 0.000 2.812 357 W HA 0.283 4.942 4.660 -0.000 0.000 0.263 357 W C -0.209 176.450 176.519 0.233 0.000 1.284 357 W CA -0.579 57.004 57.345 0.398 0.000 1.430 357 W CB -0.708 28.959 29.460 0.346 0.000 1.088 357 W HN -0.304 nan 8.180 nan 0.000 0.623 358 V N 3.535 122.997 119.914 -0.753 0.000 2.625 358 V HA 0.080 4.200 4.120 -0.000 0.000 0.305 358 V C 1.447 177.552 176.094 0.019 0.000 1.055 358 V CA 1.105 63.028 62.300 -0.629 0.000 1.209 358 V CB -0.532 30.959 31.823 -0.554 0.000 0.877 358 V HN 0.187 nan 8.190 nan 0.000 0.489 359 G N 6.694 115.501 108.800 0.012 0.000 2.535 359 G HA2 0.480 4.440 3.960 -0.000 0.000 0.282 359 G HA3 0.480 4.440 3.960 -0.000 0.000 0.282 359 G C -2.329 172.297 174.900 -0.456 0.000 1.350 359 G CA -1.019 44.058 45.100 -0.038 0.000 1.039 359 G HN 0.649 nan 8.290 nan 0.000 0.509 360 P HA 0.176 nan 4.420 nan 0.000 0.270 360 P C -2.639 174.154 177.300 -0.846 0.000 1.223 360 P CA -0.970 61.320 63.100 -1.349 0.000 0.785 360 P CB -0.178 31.066 31.700 -0.760 0.000 0.923 361 P HA 0.057 nan 4.420 nan 0.000 0.262 361 P C -0.340 176.760 177.300 -0.333 0.000 1.182 361 P CA 0.677 63.423 63.100 -0.591 0.000 0.761 361 P CB -0.203 31.018 31.700 -0.799 0.000 0.795 362 N N 0.773 119.369 118.700 -0.174 0.000 2.927 362 N HA 0.362 5.101 4.740 -0.000 0.000 0.248 362 N C -1.587 173.917 175.510 -0.010 0.000 1.443 362 N CA -1.050 51.958 53.050 -0.071 0.000 0.870 362 N CB 1.050 39.515 38.487 -0.038 0.000 1.444 362 N HN 0.062 nan 8.380 nan 0.000 0.519 363 N N 0.292 119.004 118.700 0.019 0.000 2.626 363 N HA 0.386 5.126 4.740 -0.000 0.000 0.249 363 N C -1.205 174.349 175.510 0.073 0.000 1.021 363 N CA -0.736 52.333 53.050 0.031 0.000 0.886 363 N CB 0.553 39.049 38.487 0.014 0.000 1.149 363 N HN 0.565 nan 8.380 nan 0.000 0.517 364 N N 1.876 120.641 118.700 0.108 0.000 2.758 364 N HA -0.204 4.536 4.740 -0.000 0.000 0.248 364 N C 0.845 176.556 175.510 0.335 0.000 1.076 364 N CA 1.183 54.338 53.050 0.176 0.000 0.696 364 N CB -1.080 37.467 38.487 0.100 0.000 0.979 364 N HN 0.980 nan 8.380 nan 0.000 0.550 365 G N -2.226 106.813 108.800 0.400 0.000 2.253 365 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.251 365 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.251 365 G C 0.055 174.967 174.900 0.020 0.000 0.998 365 G CA 0.260 45.455 45.100 0.158 0.000 0.621 365 G HN 0.475 nan 8.290 nan 0.000 0.524 366 V N 3.062 123.003 119.914 0.046 0.000 2.372 366 V HA 0.390 4.509 4.120 -0.000 0.000 0.261 366 V C 1.286 177.367 176.094 -0.023 0.000 1.055 366 V CA -0.570 61.730 62.300 -0.000 0.000 0.930 366 V CB 0.924 32.755 31.823 0.014 0.000 1.031 366 V HN 0.359 nan 8.190 nan 0.000 0.479 367 I N 5.296 125.833 120.570 -0.054 0.000 2.821 367 I HA -0.037 4.133 4.170 -0.000 0.000 0.294 367 I C 1.020 177.140 176.117 0.005 0.000 1.210 367 I CA 0.466 61.739 61.300 -0.045 0.000 1.430 367 I CB 0.080 38.051 38.000 -0.048 0.000 1.356 367 I HN 0.577 nan 8.210 nan 0.000 0.563 368 K N 6.384 126.805 120.400 0.034 0.000 2.258 368 K HA 0.074 4.394 4.320 -0.000 0.000 0.264 368 K C 0.288 176.980 176.600 0.153 0.000 1.007 368 K CA -0.545 55.788 56.287 0.075 0.000 0.941 368 K CB 0.494 33.022 32.500 0.046 0.000 0.966 368 K HN 0.498 nan 8.250 nan 0.000 0.480 369 E N 1.440 121.665 120.200 0.041 0.000 2.373 369 E HA 0.058 4.408 4.350 -0.000 0.000 0.263 369 E C -0.463 176.048 176.600 -0.149 0.000 1.073 369 E CA -0.488 55.858 56.400 -0.090 0.000 0.894 369 E CB 0.631 30.280 29.700 -0.086 0.000 1.008 369 E HN 0.092 nan 8.360 nan 0.000 0.420 370 V N 2.961 122.549 119.914 -0.543 0.000 2.470 370 V HA 0.136 4.256 4.120 -0.000 0.000 0.276 370 V C 0.538 176.441 176.094 -0.319 0.000 1.040 370 V CA -0.049 61.803 62.300 -0.748 0.000 1.008 370 V CB 0.377 31.339 31.823 -1.435 0.000 0.990 370 V HN 0.820 nan 8.190 nan 0.000 0.477 371 T N 4.013 118.485 114.554 -0.137 0.000 2.859 371 T HA 0.696 5.046 4.350 -0.000 0.000 0.281 371 T C -0.593 174.077 174.700 -0.049 0.000 1.005 371 T CA -0.810 61.250 62.100 -0.066 0.000 1.025 371 T CB 1.650 70.510 68.868 -0.013 0.000 0.977 371 T HN 0.210 nan 8.240 nan 0.000 0.458 372 I N 3.333 123.881 120.570 -0.036 0.000 2.339 372 I HA 0.360 4.530 4.170 -0.000 0.000 0.290 372 I C 0.280 176.394 176.117 -0.004 0.000 0.994 372 I CA -1.156 60.131 61.300 -0.022 0.000 1.191 372 I CB 0.814 38.804 38.000 -0.017 0.000 1.343 372 I HN 0.675 nan 8.210 nan 0.000 0.458 373 N N 8.596 127.298 118.700 0.002 0.000 2.381 373 N HA 0.255 4.995 4.740 -0.000 0.000 0.254 373 N C -1.422 174.095 175.510 0.012 0.000 1.264 373 N CA -1.257 51.798 53.050 0.008 0.000 0.942 373 N CB 0.519 39.012 38.487 0.010 0.000 1.190 373 N HN 0.346 nan 8.380 nan 0.000 0.495 374 P HA -0.122 nan 4.420 nan 0.000 0.221 374 P C 0.102 177.415 177.300 0.021 0.000 1.145 374 P CA 1.305 64.415 63.100 0.017 0.000 0.795 374 P CB 0.176 31.884 31.700 0.013 0.000 0.775 375 D N -1.139 119.272 120.400 0.018 0.000 2.358 375 D HA -0.018 4.622 4.640 -0.000 0.000 0.224 375 D C 0.627 176.945 176.300 0.031 0.000 1.123 375 D CA 0.881 54.895 54.000 0.022 0.000 0.833 375 D CB -0.876 39.930 40.800 0.011 0.000 0.946 375 D HN 0.245 nan 8.370 nan 0.000 0.505 376 T N -3.284 111.288 114.554 0.030 0.000 6.386 376 T HA -0.262 4.088 4.350 -0.000 0.000 0.278 376 T C 0.541 175.235 174.700 -0.010 0.000 2.163 376 T CA 1.515 63.630 62.100 0.024 0.000 3.541 376 T CB -3.007 65.905 68.868 0.073 0.000 1.383 376 T HN 0.523 nan 8.240 nan 0.000 1.186 377 T N -1.172 113.387 114.554 0.009 0.000 2.847 377 T HA 0.676 5.026 4.350 -0.000 0.000 0.279 377 T C 0.803 175.513 174.700 0.017 0.000 0.984 377 T CA -0.331 61.782 62.100 0.023 0.000 0.988 377 T CB 1.459 70.346 68.868 0.031 0.000 1.040 377 T HN 0.595 nan 8.240 nan 0.000 0.528 378 c N 0.470 119.101 118.600 0.051 0.000 2.399 378 c HA 0.924 5.494 4.570 -0.000 0.000 0.348 378 c C 1.270 175.409 174.090 0.082 0.000 1.183 378 c CA -0.286 56.078 56.329 0.060 0.000 2.023 378 c CB 0.849 43.422 42.510 0.105 0.000 2.361 378 c HN 1.217 nan 8.230 nan 0.000 0.521 379 G N 0.121 108.974 108.800 0.088 0.000 3.175 379 G HA2 0.507 4.467 3.960 -0.000 0.000 0.255 379 G HA3 0.507 4.467 3.960 -0.000 0.000 0.255 379 G C -0.171 174.813 174.900 0.139 0.000 1.352 379 G CA -0.209 44.939 45.100 0.080 0.000 1.037 379 G HN 0.695 nan 8.290 nan 0.000 0.556 380 N N 0.039 118.774 118.700 0.060 0.000 2.782 380 N HA -0.145 4.595 4.740 -0.000 0.000 0.251 380 N C 0.045 175.434 175.510 -0.201 0.000 1.101 380 N CA 1.347 54.399 53.050 0.003 0.000 0.764 380 N CB -0.583 37.986 38.487 0.136 0.000 1.122 380 N HN 0.685 nan 8.380 nan 0.000 0.561 381 D N -3.952 116.367 120.400 -0.134 0.000 3.070 381 D HA -0.218 4.422 4.640 -0.000 0.000 0.210 381 D C -0.501 175.656 176.300 -0.239 0.000 1.103 381 D CA 1.023 54.908 54.000 -0.192 0.000 0.980 381 D CB -1.493 39.167 40.800 -0.234 0.000 1.100 381 D HN 0.507 nan 8.370 nan 0.000 0.423 382 W N 0.541 121.820 121.300 -0.035 0.000 2.322 382 W HA 0.372 5.032 4.660 0.000 0.000 0.307 382 W C 1.742 178.248 176.519 -0.022 0.000 1.220 382 W CA -0.900 56.440 57.345 -0.007 0.000 1.210 382 W CB 0.750 30.158 29.460 -0.086 0.000 1.223 382 W HN -0.276 nan 8.180 nan 0.000 0.511 383 V N 2.217 122.201 119.914 0.117 0.000 2.379 383 V HA -0.235 3.885 4.120 -0.000 0.000 0.245 383 V C 1.229 177.401 176.094 0.130 0.000 1.044 383 V CA 0.518 62.786 62.300 -0.055 0.000 1.036 383 V CB -0.916 30.558 31.823 -0.582 0.000 0.664 383 V HN 0.867 nan 8.190 nan 0.000 0.453 384 c N 1.208 119.920 118.600 0.185 0.000 3.896 384 c HA -0.152 4.418 4.570 -0.000 0.000 0.300 384 c C 1.664 175.660 174.090 -0.157 0.000 1.322 384 c CA 0.499 56.922 56.329 0.157 0.000 2.130 384 c CB -2.495 40.077 42.510 0.104 0.000 1.363 384 c HN 0.690 nan 8.230 nan 0.000 0.642 385 E N 0.419 120.383 120.200 -0.394 0.000 2.160 385 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 385 E C 1.948 178.266 176.600 -0.470 0.000 0.991 385 E CA 1.641 57.386 56.400 -1.092 0.000 0.810 385 E CB -0.166 29.067 29.700 -0.779 0.000 0.742 385 E HN 0.972 nan 8.360 nan 0.000 0.466 386 H N -0.031 118.918 119.070 -0.202 0.000 2.543 386 H HA 0.076 4.632 4.556 -0.000 0.000 0.286 386 H C 1.346 176.759 175.328 0.142 0.000 1.037 386 H CA 0.952 57.006 56.048 0.011 0.000 1.250 386 H CB -0.011 29.669 29.762 -0.137 0.000 1.373 386 H HN 0.083 nan 8.280 nan 0.000 0.580 387 R N -0.673 119.593 120.500 -0.390 0.000 2.312 387 R HA 0.060 4.400 4.340 -0.000 0.000 0.205 387 R C -0.170 176.276 176.300 0.243 0.000 0.904 387 R CA -0.432 55.546 56.100 -0.204 0.000 1.052 387 R CB 0.273 30.270 30.300 -0.506 0.000 1.014 387 R HN 0.102 nan 8.270 nan 0.000 0.503 388 W N 1.998 123.327 121.300 0.048 0.000 2.264 388 W HA 0.075 4.735 4.660 -0.000 0.000 0.331 388 W C 1.563 178.158 176.519 0.127 0.000 1.364 388 W CA -0.825 56.574 57.345 0.090 0.000 1.253 388 W CB -0.038 29.497 29.460 0.124 0.000 1.215 388 W HN 0.104 nan 8.180 nan 0.000 0.561 389 R N 1.841 122.521 120.500 0.299 0.000 2.113 389 R HA -0.310 4.030 4.340 -0.000 0.000 0.244 389 R C 1.698 178.122 176.300 0.207 0.000 1.142 389 R CA 2.518 58.745 56.100 0.212 0.000 0.953 389 R CB -0.016 30.357 30.300 0.122 0.000 0.860 389 R HN 0.497 nan 8.270 nan 0.000 0.438 390 Q N -0.004 119.927 119.800 0.220 0.000 2.170 390 Q HA -0.088 4.251 4.340 -0.000 0.000 0.203 390 Q C 1.994 178.144 176.000 0.250 0.000 0.976 390 Q CA 1.725 57.647 55.803 0.198 0.000 0.858 390 Q CB -0.028 28.853 28.738 0.238 0.000 0.907 390 Q HN 0.477 nan 8.270 nan 0.000 0.433 391 I N -0.423 120.331 120.570 0.306 0.000 2.429 391 I HA -0.126 4.044 4.170 -0.000 0.000 0.247 391 I C 2.483 178.736 176.117 0.226 0.000 1.099 391 I CA 0.421 61.866 61.300 0.242 0.000 1.422 391 I CB -0.190 37.941 38.000 0.219 0.000 1.112 391 I HN 0.131 nan 8.210 nan 0.000 0.430 392 R N 1.444 122.122 120.500 0.297 0.000 2.091 392 R HA -0.189 4.150 4.340 -0.000 0.000 0.238 392 R C 1.699 178.092 176.300 0.154 0.000 1.136 392 R CA 1.788 58.075 56.100 0.311 0.000 0.959 392 R CB -0.366 30.182 30.300 0.413 0.000 0.856 392 R HN 0.320 nan 8.270 nan 0.000 0.437 393 N N 0.003 118.800 118.700 0.162 0.000 2.396 393 N HA -0.076 4.664 4.740 -0.000 0.000 0.180 393 N C 1.501 177.103 175.510 0.154 0.000 1.028 393 N CA 0.900 54.039 53.050 0.148 0.000 0.893 393 N CB -0.052 38.523 38.487 0.147 0.000 0.967 393 N HN 0.203 nan 8.380 nan 0.000 0.440 394 M N -0.219 119.453 119.600 0.119 0.000 2.388 394 M HA 0.072 4.552 4.480 -0.000 0.000 0.265 394 M C 1.831 178.162 176.300 0.052 0.000 1.088 394 M CA 0.346 55.697 55.300 0.085 0.000 1.134 394 M CB -0.566 32.060 32.600 0.043 0.000 1.384 394 M HN -0.124 nan 8.290 nan 0.000 0.447 395 V N 0.570 120.464 119.914 -0.034 0.000 2.343 395 V HA -0.255 3.865 4.120 -0.000 0.000 0.247 395 V C 2.302 178.280 176.094 -0.193 0.000 1.051 395 V CA 1.550 63.727 62.300 -0.204 0.000 1.036 395 V CB -0.455 31.051 31.823 -0.528 0.000 0.654 395 V HN 0.343 nan 8.190 nan 0.000 0.451 396 I N -1.064 119.427 120.570 -0.133 0.000 2.315 396 I HA -0.217 3.952 4.170 -0.000 0.000 0.248 396 I C 2.276 178.293 176.117 -0.165 0.000 1.117 396 I CA 1.504 62.721 61.300 -0.138 0.000 1.404 396 I CB -0.402 37.554 38.000 -0.073 0.000 1.071 396 I HN 0.325 nan 8.210 nan 0.000 0.419 397 F N 1.992 121.795 119.950 -0.244 0.000 2.126 397 F HA -0.273 4.254 4.527 -0.000 0.000 0.299 397 F C 2.690 178.368 175.800 -0.202 0.000 1.096 397 F CA 1.805 59.631 58.000 -0.289 0.000 1.255 397 F CB -0.356 38.615 39.000 -0.048 0.000 0.997 397 F HN -0.146 nan 8.300 nan 0.000 0.479 398 R N 0.256 120.882 120.500 0.209 0.000 2.096 398 R HA -0.184 4.156 4.340 -0.000 0.000 0.235 398 R C 2.043 178.309 176.300 -0.057 0.000 1.127 398 R CA 1.799 57.963 56.100 0.106 0.000 0.968 398 R CB -0.352 29.963 30.300 0.025 0.000 0.861 398 R HN 0.279 nan 8.270 nan 0.000 0.440 399 N N -0.085 118.544 118.700 -0.118 0.000 2.084 399 N HA -0.132 4.608 4.740 -0.000 0.000 0.190 399 N C 1.736 177.151 175.510 -0.160 0.000 1.030 399 N CA 1.415 54.386 53.050 -0.132 0.000 0.849 399 N CB -0.353 38.047 38.487 -0.145 0.000 1.012 399 N HN 0.046 nan 8.380 nan 0.000 0.423 400 V N 1.013 120.774 119.914 -0.256 0.000 2.407 400 V HA -0.130 3.990 4.120 -0.000 0.000 0.248 400 V C 2.140 178.083 176.094 -0.252 0.000 1.055 400 V CA 1.540 63.666 62.300 -0.290 0.000 1.049 400 V CB -0.532 30.986 31.823 -0.508 0.000 0.662 400 V HN 0.311 nan 8.190 nan 0.000 0.455 401 V N -1.955 117.780 119.914 -0.298 0.000 3.649 401 V HA 0.211 4.331 4.120 -0.000 0.000 0.275 401 V C 0.700 176.745 176.094 -0.082 0.000 1.281 401 V CA -0.096 62.080 62.300 -0.208 0.000 1.143 401 V CB -0.499 31.157 31.823 -0.278 0.000 0.892 401 V HN 0.468 nan 8.190 nan 0.000 0.441 402 D N 1.635 121.991 120.400 -0.073 0.000 2.581 402 D HA 0.343 4.983 4.640 -0.000 0.000 0.238 402 D C 1.473 177.761 176.300 -0.019 0.000 1.145 402 D CA 2.126 56.106 54.000 -0.033 0.000 0.866 402 D CB 0.293 41.071 40.800 -0.038 0.000 1.151 402 D HN 0.632 nan 8.370 nan 0.000 0.500 403 G N 3.230 112.029 108.800 -0.001 0.000 2.258 403 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.233 403 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.233 403 G C 0.216 175.126 174.900 0.016 0.000 1.006 403 G CA 0.015 45.118 45.100 0.005 0.000 0.620 403 G HN 0.593 nan 8.290 nan 0.000 0.511 404 Q N 1.939 121.750 119.800 0.019 0.000 2.352 404 Q HA 0.384 4.724 4.340 -0.000 0.000 0.260 404 Q C -1.971 174.071 176.000 0.071 0.000 0.976 404 Q CA -1.221 54.605 55.803 0.038 0.000 0.881 404 Q CB 1.226 29.981 28.738 0.028 0.000 1.235 404 Q HN 0.434 nan 8.270 nan 0.000 0.419 405 P HA 0.102 nan 4.420 nan 0.000 0.274 405 P C -0.649 176.759 177.300 0.180 0.000 1.237 405 P CA -0.448 62.722 63.100 0.116 0.000 0.793 405 P CB 0.476 32.235 31.700 0.098 0.000 0.977 406 F N 2.377 122.339 119.950 0.020 0.000 2.472 406 F HA 0.347 4.874 4.527 -0.000 0.000 0.364 406 F C 0.261 176.128 175.800 0.111 0.000 1.090 406 F CA 0.988 59.006 58.000 0.031 0.000 1.188 406 F CB 0.108 39.035 39.000 -0.122 0.000 1.105 406 F HN 0.432 nan 8.300 nan 0.000 0.536 407 T N 1.667 116.095 114.554 -0.211 0.000 2.731 407 T HA 0.284 4.633 4.350 -0.000 0.000 0.300 407 T C -0.403 174.278 174.700 -0.032 0.000 1.283 407 T CA -1.173 60.882 62.100 -0.075 0.000 1.005 407 T CB 1.258 70.164 68.868 0.062 0.000 1.420 407 T HN 0.488 nan 8.240 nan 0.000 0.503 408 N N 0.378 119.144 118.700 0.110 0.000 2.727 408 N HA -0.130 4.610 4.740 -0.000 0.000 0.249 408 N C -0.366 175.301 175.510 0.261 0.000 1.048 408 N CA 0.694 53.874 53.050 0.216 0.000 0.714 408 N CB -0.866 37.800 38.487 0.298 0.000 0.959 408 N HN 0.732 nan 8.380 nan 0.000 0.544 409 W N 0.917 122.234 121.300 0.028 0.000 2.181 409 W HA 0.290 4.950 4.660 -0.000 0.000 0.335 409 W C -0.343 176.316 176.519 0.233 0.000 1.310 409 W CA 0.060 57.455 57.345 0.084 0.000 1.226 409 W CB 0.270 29.769 29.460 0.065 0.000 1.155 409 W HN 0.215 nan 8.180 nan 0.000 0.565 410 Y N 4.914 124.749 120.300 -0.775 0.000 2.513 410 Y HA 0.383 4.933 4.550 -0.000 0.000 0.340 410 Y C -1.663 173.809 175.900 -0.712 0.000 1.055 410 Y CA -0.929 56.888 58.100 -0.471 0.000 1.020 410 Y CB 1.383 39.762 38.460 -0.135 0.000 1.301 410 Y HN 0.536 nan 8.280 nan 0.000 0.453 411 D N 1.940 121.416 120.400 -1.539 0.000 2.654 411 D HA 0.209 4.849 4.640 -0.000 0.000 0.231 411 D C -1.228 174.581 176.300 -0.817 0.000 1.239 411 D CA -0.810 52.599 54.000 -0.984 0.000 0.790 411 D CB 1.030 41.717 40.800 -0.188 0.000 1.480 411 D HN 0.444 nan 8.370 nan 0.000 0.442 412 N N 1.070 119.578 118.700 -0.320 0.000 2.279 412 N HA 0.200 4.940 4.740 -0.000 0.000 0.226 412 N C 1.313 176.864 175.510 0.068 0.000 1.126 412 N CA 0.170 53.224 53.050 0.006 0.000 0.846 412 N CB 0.272 38.913 38.487 0.256 0.000 1.050 412 N HN 1.045 nan 8.380 nan 0.000 0.502 413 G N -1.419 107.397 108.800 0.027 0.000 2.168 413 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.263 413 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.263 413 G C 0.377 175.305 174.900 0.047 0.000 0.977 413 G CA 0.801 45.942 45.100 0.068 0.000 0.659 413 G HN 0.630 nan 8.290 nan 0.000 0.533 414 S N -1.006 114.714 115.700 0.034 0.000 3.697 414 S HA 0.419 4.889 4.470 -0.000 0.000 0.184 414 S C 0.900 175.439 174.600 -0.101 0.000 1.045 414 S CA 0.686 58.888 58.200 0.003 0.000 1.330 414 S CB 0.177 63.468 63.200 0.152 0.000 1.393 414 S HN 0.310 nan 8.310 nan 0.000 0.855 415 N N 0.536 119.155 118.700 -0.135 0.000 2.299 415 N HA 0.352 5.092 4.740 -0.000 0.000 0.246 415 N C -1.275 174.120 175.510 -0.193 0.000 1.254 415 N CA -0.034 52.896 53.050 -0.200 0.000 0.879 415 N CB 1.218 39.554 38.487 -0.251 0.000 1.214 415 N HN 0.239 nan 8.380 nan 0.000 0.510 416 Q N 1.625 121.351 119.800 -0.124 0.000 2.413 416 Q HA 0.421 4.761 4.340 -0.000 0.000 0.258 416 Q C -0.926 174.992 176.000 -0.136 0.000 1.037 416 Q CA -0.672 55.067 55.803 -0.106 0.000 0.764 416 Q CB 1.858 30.670 28.738 0.123 0.000 1.217 416 Q HN 0.134 nan 8.270 nan 0.000 0.490 417 V N -1.102 118.690 119.914 -0.203 0.000 3.074 417 V HA 1.067 5.187 4.120 -0.000 0.000 0.314 417 V C -1.064 174.863 176.094 -0.278 0.000 1.117 417 V CA -0.861 61.224 62.300 -0.358 0.000 1.014 417 V CB 1.972 33.535 31.823 -0.432 0.000 1.057 417 V HN 0.657 nan 8.190 nan 0.000 0.438 418 A N 1.995 124.542 122.820 -0.455 0.000 2.604 418 A HA 1.021 5.341 4.320 -0.000 0.000 0.295 418 A C -1.196 176.139 177.584 -0.414 0.000 1.067 418 A CA -0.241 51.512 52.037 -0.473 0.000 0.683 418 A CB 1.722 20.455 19.000 -0.445 0.000 1.281 418 A HN 2.396 nan 8.150 nan 0.000 0.407 419 F N -1.200 118.319 119.950 -0.719 0.000 2.741 419 F HA 0.844 5.371 4.527 -0.000 0.000 0.311 419 F C -0.069 175.348 175.800 -0.639 0.000 1.149 419 F CA -0.310 57.386 58.000 -0.507 0.000 0.930 419 F CB 0.783 39.639 39.000 -0.240 0.000 1.312 419 F HN 1.144 nan 8.300 nan 0.000 0.450 420 G N 0.444 109.246 108.800 0.004 0.000 2.714 420 G HA2 0.692 4.652 3.960 -0.000 0.000 0.292 420 G HA3 0.692 4.652 3.960 -0.000 0.000 0.292 420 G C -1.666 173.375 174.900 0.234 0.000 1.308 420 G CA -1.338 43.860 45.100 0.163 0.000 0.964 420 G HN 0.595 nan 8.290 nan 0.000 0.484 421 R N 0.366 120.993 120.500 0.212 0.000 2.358 421 R HA 0.505 4.845 4.340 -0.000 0.000 0.309 421 R C 0.864 177.223 176.300 0.098 0.000 1.026 421 R CA 0.102 56.307 56.100 0.174 0.000 0.909 421 R CB 0.447 30.850 30.300 0.171 0.000 1.153 421 R HN 1.288 nan 8.270 nan 0.000 0.515 422 G N 3.672 112.530 108.800 0.096 0.000 2.614 422 G HA2 -0.433 3.527 3.960 -0.000 0.000 0.303 422 G HA3 -0.433 3.527 3.960 -0.000 0.000 0.303 422 G C 0.276 175.212 174.900 0.061 0.000 1.270 422 G CA 0.713 45.853 45.100 0.066 0.000 0.988 422 G HN 0.680 nan 8.290 nan 0.000 0.551 423 N N 0.535 119.258 118.700 0.038 0.000 2.328 423 N HA 0.211 4.951 4.740 -0.000 0.000 0.247 423 N C 1.257 176.780 175.510 0.023 0.000 1.165 423 N CA 0.064 53.133 53.050 0.032 0.000 0.873 423 N CB 0.504 39.009 38.487 0.031 0.000 1.125 423 N HN 0.607 nan 8.380 nan 0.000 0.513 424 R N -0.690 119.812 120.500 0.002 0.000 2.373 424 R HA 0.358 4.698 4.340 -0.000 0.000 0.221 424 R C 0.271 176.518 176.300 -0.089 0.000 0.893 424 R CA 0.304 56.385 56.100 -0.031 0.000 1.049 424 R CB 1.277 31.535 30.300 -0.070 0.000 1.119 424 R HN 0.253 nan 8.270 nan 0.000 0.535 425 G N 0.679 109.440 108.800 -0.064 0.000 2.703 425 G HA2 0.531 4.491 3.960 -0.000 0.000 0.294 425 G HA3 0.531 4.491 3.960 -0.000 0.000 0.294 425 G C -2.061 172.957 174.900 0.196 0.000 1.451 425 G CA -0.404 44.650 45.100 -0.076 0.000 0.869 425 G HN 0.002 nan 8.290 nan 0.000 0.516 426 F N 0.688 120.680 119.950 0.071 0.000 2.608 426 F HA 0.796 5.323 4.527 -0.000 0.000 0.309 426 F C -1.079 174.630 175.800 -0.151 0.000 1.103 426 F CA -0.958 57.004 58.000 -0.063 0.000 0.954 426 F CB 2.109 41.034 39.000 -0.124 0.000 1.267 426 F HN 0.523 nan 8.300 nan 0.000 0.444 427 I N 5.350 125.320 120.570 -1.001 0.000 2.686 427 I HA 0.752 4.922 4.170 -0.000 0.000 0.295 427 I C -1.828 173.544 176.117 -1.240 0.000 1.114 427 I CA -0.734 59.974 61.300 -0.988 0.000 1.038 427 I CB 2.004 39.372 38.000 -1.053 0.000 1.238 427 I HN 0.362 nan 8.210 nan 0.000 0.420 428 V N 6.811 126.098 119.914 -1.046 0.000 2.638 428 V HA 0.540 4.660 4.120 -0.000 0.000 0.306 428 V C -1.029 174.571 176.094 -0.824 0.000 1.052 428 V CA -0.511 61.248 62.300 -0.902 0.000 0.885 428 V CB 1.733 33.038 31.823 -0.864 0.000 0.999 428 V HN 0.484 nan 8.190 nan 0.000 0.424 429 F N 2.431 122.130 119.950 -0.419 0.000 2.532 429 F HA 0.613 5.140 4.527 -0.000 0.000 0.321 429 F C 0.155 175.721 175.800 -0.389 0.000 1.089 429 F CA -0.654 57.170 58.000 -0.293 0.000 0.926 429 F CB 2.003 40.851 39.000 -0.252 0.000 1.168 429 F HN 0.463 nan 8.300 nan 0.000 0.459 430 N N 1.755 120.400 118.700 -0.092 0.000 2.576 430 N HA 0.199 4.939 4.740 -0.000 0.000 0.269 430 N C -0.980 174.452 175.510 -0.131 0.000 1.058 430 N CA -0.247 52.702 53.050 -0.168 0.000 0.860 430 N CB 0.538 38.943 38.487 -0.135 0.000 1.249 430 N HN 0.552 nan 8.380 nan 0.000 0.525 431 N N 1.845 120.430 118.700 -0.192 0.000 2.282 431 N HA 0.175 4.914 4.740 -0.000 0.000 0.240 431 N C -1.008 174.330 175.510 -0.286 0.000 1.182 431 N CA -0.162 52.767 53.050 -0.203 0.000 0.874 431 N CB 0.354 38.713 38.487 -0.213 0.000 1.126 431 N HN 0.509 nan 8.380 nan 0.000 0.516 432 D N -0.531 119.606 120.400 -0.438 0.000 2.388 432 D HA 0.143 4.783 4.640 -0.000 0.000 0.254 432 D C 0.050 175.995 176.300 -0.592 0.000 1.111 432 D CA -0.138 53.398 54.000 -0.773 0.000 0.993 432 D CB 0.939 40.801 40.800 -1.563 0.000 1.118 432 D HN 0.041 nan 8.370 nan 0.000 0.502 433 D N 0.393 120.495 120.400 -0.496 0.000 2.325 433 D HA 0.107 4.747 4.640 -0.000 0.000 0.234 433 D C -0.037 176.378 176.300 0.191 0.000 1.122 433 D CA 0.025 54.002 54.000 -0.038 0.000 0.850 433 D CB 0.061 40.943 40.800 0.136 0.000 0.921 433 D HN 0.330 nan 8.370 nan 0.000 0.513 434 W N -1.008 120.330 121.300 0.063 0.000 3.032 434 W HA 0.581 5.241 4.660 -0.000 0.000 0.341 434 W C -0.242 176.337 176.519 0.099 0.000 1.202 434 W CA -1.050 56.337 57.345 0.070 0.000 1.132 434 W CB 0.104 29.603 29.460 0.064 0.000 1.465 434 W HN -0.446 nan 8.180 nan 0.000 0.576 435 S N 1.058 116.961 115.700 0.339 0.000 2.593 435 S HA 0.402 4.872 4.470 -0.000 0.000 0.269 435 S C -1.250 173.547 174.600 0.328 0.000 1.334 435 S CA -0.379 57.969 58.200 0.248 0.000 1.015 435 S CB 0.361 63.680 63.200 0.199 0.000 0.912 435 S HN 0.400 nan 8.310 nan 0.000 0.541 436 F N 1.869 121.884 119.950 0.109 0.000 2.449 436 F HA 0.556 5.083 4.527 -0.000 0.000 0.342 436 F C -0.152 175.700 175.800 0.086 0.000 1.127 436 F CA -0.246 57.817 58.000 0.106 0.000 0.975 436 F CB 1.251 40.279 39.000 0.047 0.000 1.146 436 F HN 0.426 nan 8.300 nan 0.000 0.444 437 S N 7.714 123.119 115.700 -0.493 0.000 2.775 437 S HA 0.768 5.238 4.470 -0.000 0.000 0.277 437 S C -1.871 172.398 174.600 -0.551 0.000 1.156 437 S CA -0.446 57.544 58.200 -0.348 0.000 1.081 437 S CB 0.628 63.832 63.200 0.006 0.000 1.054 437 S HN 0.811 nan 8.310 nan 0.000 0.482 438 L N 3.443 124.185 121.223 -0.802 0.000 2.710 438 L HA 0.609 4.949 4.340 -0.000 0.000 0.260 438 L C -0.866 175.778 176.870 -0.377 0.000 0.993 438 L CA -0.054 54.477 54.840 -0.516 0.000 0.877 438 L CB 2.096 43.769 42.059 -0.645 0.000 1.461 438 L HN 0.491 nan 8.230 nan 0.000 0.413 439 T N 3.971 118.478 114.554 -0.078 0.000 2.733 439 T HA 0.638 4.988 4.350 -0.000 0.000 0.294 439 T C -0.733 173.964 174.700 -0.006 0.000 0.956 439 T CA -0.195 61.926 62.100 0.036 0.000 0.987 439 T CB 0.349 69.276 68.868 0.098 0.000 0.920 439 T HN 0.236 nan 8.240 nan 0.000 0.470 440 L N 3.090 124.356 121.223 0.072 0.000 2.319 440 L HA 0.535 4.875 4.340 -0.000 0.000 0.267 440 L C 0.180 177.018 176.870 -0.052 0.000 1.011 440 L CA -1.034 53.810 54.840 0.006 0.000 0.818 440 L CB 1.633 43.731 42.059 0.066 0.000 1.316 440 L HN 0.525 nan 8.230 nan 0.000 0.432 441 Q N 0.285 120.043 119.800 -0.071 0.000 2.323 441 Q HA 0.222 4.562 4.340 -0.000 0.000 0.257 441 Q C 0.707 176.507 176.000 -0.334 0.000 1.022 441 Q CA 0.361 56.093 55.803 -0.118 0.000 0.919 441 Q CB 0.897 29.625 28.738 -0.017 0.000 1.220 441 Q HN 0.747 nan 8.270 nan 0.000 0.427 442 T N 0.207 114.440 114.554 -0.534 0.000 3.037 442 T HA 0.242 4.592 4.350 -0.000 0.000 0.251 442 T C 1.275 175.754 174.700 -0.368 0.000 1.079 442 T CA 0.411 61.894 62.100 -1.028 0.000 1.067 442 T CB -0.085 68.197 68.868 -0.978 0.000 0.948 442 T HN 0.961 nan 8.240 nan 0.000 0.496 443 G N 1.140 109.835 108.800 -0.176 0.000 2.166 443 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.260 443 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.260 443 G C -0.222 174.652 174.900 -0.045 0.000 0.986 443 G CA 0.345 45.413 45.100 -0.054 0.000 0.683 443 G HN 0.565 nan 8.290 nan 0.000 0.527 444 L N 1.378 122.541 121.223 -0.099 0.000 2.360 444 L HA 0.626 4.966 4.340 -0.000 0.000 0.271 444 L C -1.509 175.374 176.870 0.023 0.000 1.057 444 L CA -2.625 52.179 54.840 -0.060 0.000 0.803 444 L CB 0.971 42.894 42.059 -0.226 0.000 1.207 444 L HN -0.076 nan 8.230 nan 0.000 0.445 445 P HA 0.153 nan 4.420 nan 0.000 0.271 445 P C -0.837 176.564 177.300 0.169 0.000 1.218 445 P CA -0.503 62.663 63.100 0.111 0.000 0.780 445 P CB 0.480 32.241 31.700 0.102 0.000 0.901 446 A N 2.142 125.023 122.820 0.100 0.000 2.586 446 A HA 0.456 4.776 4.320 -0.000 0.000 0.231 446 A C 0.898 178.541 177.584 0.098 0.000 1.055 446 A CA 1.212 53.309 52.037 0.101 0.000 0.756 446 A CB -1.054 17.976 19.000 0.049 0.000 0.988 446 A HN 0.925 nan 8.150 nan 0.000 0.509 447 G N -0.437 108.426 108.800 0.104 0.000 2.368 447 G HA2 0.439 4.399 3.960 -0.000 0.000 0.302 447 G HA3 0.439 4.399 3.960 -0.000 0.000 0.302 447 G C -0.726 174.164 174.900 -0.016 0.000 1.329 447 G CA -0.219 44.863 45.100 -0.031 0.000 0.935 447 G HN 1.063 nan 8.290 nan 0.000 0.590 448 T N 1.043 115.500 114.554 -0.161 0.000 2.749 448 T HA 0.633 4.982 4.350 -0.000 0.000 0.287 448 T C -1.110 173.393 174.700 -0.327 0.000 0.970 448 T CA 0.142 62.145 62.100 -0.162 0.000 0.980 448 T CB 0.660 69.475 68.868 -0.090 0.000 0.924 448 T HN 0.389 nan 8.240 nan 0.000 0.456 449 Y N 0.599 120.765 120.300 -0.223 0.000 2.429 449 Y HA 0.423 4.973 4.550 -0.000 0.000 0.342 449 Y C 0.443 176.218 175.900 -0.208 0.000 1.004 449 Y CA -1.162 56.828 58.100 -0.182 0.000 1.075 449 Y CB 1.032 39.409 38.460 -0.139 0.000 1.214 449 Y HN 0.573 nan 8.280 nan 0.000 0.455 450 c N 2.352 120.935 118.600 -0.028 0.000 2.415 450 c HA 0.153 4.722 4.570 -0.000 0.000 0.369 450 c C 0.333 174.388 174.090 -0.059 0.000 1.279 450 c CA -0.727 55.560 56.329 -0.069 0.000 1.886 450 c CB -0.547 41.917 42.510 -0.075 0.000 2.468 450 c HN 0.762 nan 8.230 nan 0.000 0.553 451 D N 1.832 122.193 120.400 -0.065 0.000 2.358 451 D HA 0.134 4.774 4.640 -0.000 0.000 0.258 451 D C 1.051 177.306 176.300 -0.075 0.000 1.223 451 D CA -0.231 53.730 54.000 -0.066 0.000 0.886 451 D CB 0.959 41.715 40.800 -0.073 0.000 1.120 451 D HN 0.441 nan 8.370 nan 0.000 0.482 452 V N 2.580 122.455 119.914 -0.065 0.000 3.573 452 V HA -0.016 4.104 4.120 -0.000 0.000 0.270 452 V C 1.542 177.601 176.094 -0.058 0.000 1.221 452 V CA 0.360 62.644 62.300 -0.025 0.000 1.163 452 V CB -0.635 31.229 31.823 0.068 0.000 0.847 452 V HN 0.506 nan 8.190 nan 0.000 0.468 453 I N 2.184 122.655 120.570 -0.166 0.000 2.429 453 I HA -0.026 4.144 4.170 -0.000 0.000 0.247 453 I C 2.769 178.775 176.117 -0.185 0.000 1.099 453 I CA 1.896 63.032 61.300 -0.273 0.000 1.422 453 I CB -1.076 36.525 38.000 -0.666 0.000 1.112 453 I HN 0.583 nan 8.210 nan 0.000 0.430 454 S N -0.205 115.399 115.700 -0.160 0.000 2.446 454 S HA 0.225 4.695 4.470 -0.000 0.000 0.225 454 S C 1.150 175.714 174.600 -0.059 0.000 1.016 454 S CA 0.525 58.664 58.200 -0.102 0.000 0.943 454 S CB -0.075 63.071 63.200 -0.090 0.000 0.786 454 S HN 0.414 nan 8.310 nan 0.000 0.508 455 G N -0.189 108.579 108.800 -0.052 0.000 2.871 455 G HA2 0.576 4.536 3.960 -0.000 0.000 0.282 455 G HA3 0.576 4.536 3.960 -0.000 0.000 0.282 455 G C -2.101 172.791 174.900 -0.013 0.000 1.212 455 G CA -0.568 44.516 45.100 -0.027 0.000 0.812 455 G HN 0.244 nan 8.290 nan 0.000 0.547 456 D N -0.472 119.923 120.400 -0.008 0.000 2.583 456 D HA 0.266 4.906 4.640 -0.000 0.000 0.248 456 D C -1.090 175.203 176.300 -0.011 0.000 1.209 456 D CA -0.582 53.420 54.000 0.003 0.000 0.848 456 D CB 2.766 43.580 40.800 0.023 0.000 1.431 456 D HN 0.292 nan 8.370 nan 0.000 0.436 457 K N 2.104 122.498 120.400 -0.011 0.000 2.250 457 K HA 0.345 4.665 4.320 -0.000 0.000 0.280 457 K C -0.849 175.745 176.600 -0.009 0.000 1.098 457 K CA -0.253 56.020 56.287 -0.022 0.000 0.916 457 K CB -0.011 32.468 32.500 -0.034 0.000 1.209 457 K HN 0.397 nan 8.250 nan 0.000 0.461 458 I N 5.848 126.413 120.570 -0.009 0.000 2.359 458 I HA 0.060 4.230 4.170 -0.000 0.000 0.284 458 I C -0.040 176.073 176.117 -0.007 0.000 1.018 458 I CA -0.739 60.559 61.300 -0.002 0.000 1.173 458 I CB 0.923 38.925 38.000 0.003 0.000 1.326 458 I HN 0.785 nan 8.210 nan 0.000 0.462 459 N N 4.354 123.050 118.700 -0.007 0.000 2.607 459 N HA -0.226 4.514 4.740 -0.000 0.000 0.285 459 N C 0.642 176.142 175.510 -0.016 0.000 1.151 459 N CA 0.538 53.582 53.050 -0.010 0.000 0.749 459 N CB -1.229 37.255 38.487 -0.005 0.000 0.923 459 N HN 1.126 nan 8.380 nan 0.000 0.552 460 G N -0.077 108.709 108.800 -0.023 0.000 2.203 460 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.263 460 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.263 460 G C -0.230 174.652 174.900 -0.030 0.000 1.012 460 G CA 0.640 45.722 45.100 -0.030 0.000 0.749 460 G HN 0.895 nan 8.290 nan 0.000 0.512 461 N N -1.673 117.010 118.700 -0.030 0.000 2.710 461 N HA 0.433 5.173 4.740 -0.000 0.000 0.257 461 N C -0.755 174.736 175.510 -0.032 0.000 1.327 461 N CA 0.020 53.054 53.050 -0.028 0.000 0.861 461 N CB 1.645 40.122 38.487 -0.017 0.000 1.532 461 N HN 0.135 nan 8.380 nan 0.000 0.499 462 c N 0.526 119.104 118.600 -0.037 0.000 2.341 462 c HA 0.438 5.007 4.570 -0.000 0.000 0.338 462 c C 1.925 175.999 174.090 -0.028 0.000 1.257 462 c CA -0.519 55.786 56.329 -0.041 0.000 1.883 462 c CB 0.557 43.030 42.510 -0.061 0.000 2.334 462 c HN 0.807 nan 8.230 nan 0.000 0.524 463 T N -0.931 113.610 114.554 -0.023 0.000 3.107 463 T HA 0.369 4.719 4.350 -0.000 0.000 0.249 463 T C 0.738 175.426 174.700 -0.020 0.000 1.096 463 T CA 0.551 62.642 62.100 -0.015 0.000 1.012 463 T CB 0.083 68.947 68.868 -0.007 0.000 0.977 463 T HN 0.916 nan 8.240 nan 0.000 0.527 464 G N 0.723 109.505 108.800 -0.030 0.000 3.195 464 G HA2 0.639 4.599 3.960 -0.000 0.000 0.217 464 G HA3 0.639 4.599 3.960 -0.000 0.000 0.217 464 G C -0.853 174.022 174.900 -0.042 0.000 1.166 464 G CA -1.276 43.803 45.100 -0.035 0.000 0.812 464 G HN 0.387 nan 8.290 nan 0.000 0.617 465 I N 0.736 121.277 120.570 -0.048 0.000 2.815 465 I HA 0.122 4.292 4.170 -0.000 0.000 0.291 465 I C 0.090 176.151 176.117 -0.092 0.000 1.209 465 I CA 0.679 61.947 61.300 -0.053 0.000 1.431 465 I CB 0.660 38.635 38.000 -0.043 0.000 1.351 465 I HN 0.166 nan 8.210 nan 0.000 0.585 466 K N 6.142 126.459 120.400 -0.138 0.000 2.292 466 K HA 0.583 4.903 4.320 -0.000 0.000 0.257 466 K C -1.095 175.232 176.600 -0.455 0.000 0.940 466 K CA -0.593 55.520 56.287 -0.290 0.000 0.811 466 K CB 1.850 34.146 32.500 -0.339 0.000 1.120 466 K HN 0.310 nan 8.250 nan 0.000 0.428 467 I N 3.464 123.760 120.570 -0.455 0.000 2.441 467 I HA 0.275 4.445 4.170 -0.000 0.000 0.295 467 I C -0.768 175.046 176.117 -0.505 0.000 0.994 467 I CA -0.843 60.189 61.300 -0.446 0.000 1.144 467 I CB 1.142 38.960 38.000 -0.303 0.000 1.314 467 I HN 0.550 nan 8.210 nan 0.000 0.445 468 Y N 4.603 124.846 120.300 -0.095 0.000 2.356 468 Y HA 0.436 4.986 4.550 -0.000 0.000 0.334 468 Y C 0.192 176.059 175.900 -0.055 0.000 0.958 468 Y CA -0.905 57.172 58.100 -0.038 0.000 1.196 468 Y CB 1.522 39.951 38.460 -0.052 0.000 1.137 468 Y HN 0.159 nan 8.280 nan 0.000 0.485 469 V N 3.973 123.973 119.914 0.144 0.000 2.383 469 V HA 0.312 4.431 4.120 -0.000 0.000 0.275 469 V C 0.316 176.456 176.094 0.077 0.000 1.036 469 V CA -0.766 61.576 62.300 0.070 0.000 0.889 469 V CB 1.028 32.907 31.823 0.093 0.000 0.985 469 V HN 0.910 nan 8.190 nan 0.000 0.459 470 S N 2.717 118.435 115.700 0.030 0.000 2.641 470 S HA 0.164 4.634 4.470 -0.000 0.000 0.261 470 S C 0.845 175.455 174.600 0.018 0.000 1.257 470 S CA -0.360 57.852 58.200 0.021 0.000 0.983 470 S CB 0.736 63.937 63.200 0.002 0.000 0.990 470 S HN 0.650 nan 8.310 nan 0.000 0.572 471 D N 1.284 121.690 120.400 0.011 0.000 2.149 471 D HA -0.099 4.540 4.640 -0.000 0.000 0.198 471 D C 1.107 177.410 176.300 0.006 0.000 0.990 471 D CA 1.763 55.769 54.000 0.010 0.000 0.839 471 D CB -0.552 40.250 40.800 0.004 0.000 0.948 471 D HN 0.859 nan 8.370 nan 0.000 0.460 472 D N -1.296 119.104 120.400 0.000 0.000 2.325 472 D HA 0.169 4.809 4.640 -0.000 0.000 0.234 472 D C 1.440 177.732 176.300 -0.013 0.000 1.122 472 D CA 0.600 54.598 54.000 -0.003 0.000 0.850 472 D CB -0.235 40.563 40.800 -0.002 0.000 0.921 472 D HN 0.204 nan 8.370 nan 0.000 0.513 473 G N -0.035 108.755 108.800 -0.017 0.000 2.184 473 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.264 473 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.264 473 G C 0.305 175.154 174.900 -0.085 0.000 0.975 473 G CA 0.289 45.361 45.100 -0.047 0.000 0.642 473 G HN 0.476 nan 8.290 nan 0.000 0.536 474 K N 0.515 120.881 120.400 -0.055 0.000 2.202 474 K HA 0.681 5.001 4.320 -0.000 0.000 0.264 474 K C 0.238 176.802 176.600 -0.061 0.000 1.010 474 K CA 0.393 56.646 56.287 -0.057 0.000 0.940 474 K CB 1.363 33.849 32.500 -0.024 0.000 0.983 474 K HN 0.829 nan 8.250 nan 0.000 0.475 475 A N 1.603 124.385 122.820 -0.064 0.000 2.589 475 A HA 0.289 4.609 4.320 -0.000 0.000 0.296 475 A C -1.904 175.576 177.584 -0.174 0.000 1.062 475 A CA -0.712 51.233 52.037 -0.154 0.000 0.686 475 A CB 1.011 19.821 19.000 -0.318 0.000 1.282 475 A HN 0.843 nan 8.150 nan 0.000 0.404 476 H N 0.291 119.176 119.070 -0.308 0.000 2.489 476 H HA 0.714 5.270 4.556 -0.000 0.000 0.322 476 H C -1.538 173.554 175.328 -0.394 0.000 1.091 476 H CA -0.051 55.876 56.048 -0.202 0.000 1.291 476 H CB 0.501 30.200 29.762 -0.104 0.000 1.436 476 H HN 0.424 nan 8.280 nan 0.000 0.480 477 F N 2.266 121.965 119.950 -0.418 0.000 2.507 477 F HA 0.412 4.939 4.527 -0.000 0.000 0.325 477 F C -0.079 175.659 175.800 -0.104 0.000 1.116 477 F CA -0.650 57.291 58.000 -0.098 0.000 0.930 477 F CB 2.197 41.269 39.000 0.121 0.000 1.146 477 F HN 0.387 nan 8.300 nan 0.000 0.447 478 S N 4.015 119.852 115.700 0.227 0.000 2.707 478 S HA 0.718 5.188 4.470 -0.000 0.000 0.312 478 S C -0.857 173.882 174.600 0.232 0.000 1.116 478 S CA -0.436 57.899 58.200 0.224 0.000 1.078 478 S CB 0.442 63.763 63.200 0.201 0.000 0.997 478 S HN 0.454 nan 8.310 nan 0.000 0.477 479 I N 3.145 123.887 120.570 0.286 0.000 2.476 479 I HA 0.310 4.480 4.170 -0.000 0.000 0.281 479 I C 0.211 176.427 176.117 0.166 0.000 1.040 479 I CA -0.554 60.855 61.300 0.182 0.000 1.094 479 I CB 1.906 39.974 38.000 0.113 0.000 1.219 479 I HN 0.536 nan 8.210 nan 0.000 0.450 480 S N 4.687 120.458 115.700 0.118 0.000 2.580 480 S HA 0.104 4.574 4.470 -0.000 0.000 0.274 480 S C 1.284 175.929 174.600 0.075 0.000 1.329 480 S CA -0.560 57.703 58.200 0.105 0.000 1.036 480 S CB 0.705 63.957 63.200 0.087 0.000 0.919 480 S HN 0.756 nan 8.310 nan 0.000 0.515 481 N N 2.698 121.437 118.700 0.065 0.000 2.609 481 N HA -0.068 4.672 4.740 -0.000 0.000 0.190 481 N C 0.436 175.966 175.510 0.034 0.000 1.157 481 N CA 0.466 53.532 53.050 0.026 0.000 0.918 481 N CB -0.299 38.193 38.487 0.008 0.000 0.978 481 N HN 0.463 nan 8.380 nan 0.000 0.448 482 S N -0.564 115.164 115.700 0.047 0.000 2.539 482 S HA 0.328 4.798 4.470 -0.000 0.000 0.221 482 S C 0.864 175.487 174.600 0.038 0.000 0.987 482 S CA -0.395 57.831 58.200 0.042 0.000 0.929 482 S CB 0.401 63.628 63.200 0.045 0.000 0.832 482 S HN 0.606 nan 8.310 nan 0.000 0.492 483 A N 1.866 124.710 122.820 0.041 0.000 2.483 483 A HA 0.261 4.581 4.320 -0.000 0.000 0.238 483 A C 1.469 179.073 177.584 0.034 0.000 1.070 483 A CA -0.121 51.936 52.037 0.034 0.000 0.770 483 A CB 0.149 19.168 19.000 0.033 0.000 1.008 483 A HN 0.218 nan 8.150 nan 0.000 0.497 484 E N 1.107 121.320 120.200 0.023 0.000 2.085 484 E HA -0.144 4.206 4.350 -0.000 0.000 0.194 484 E C -0.299 176.333 176.600 0.054 0.000 0.994 484 E CA 1.952 58.367 56.400 0.026 0.000 0.801 484 E CB 0.089 29.791 29.700 0.004 0.000 0.743 484 E HN 0.628 nan 8.360 nan 0.000 0.453 485 D N 0.865 121.291 120.400 0.042 0.000 2.446 485 D HA 0.143 4.783 4.640 -0.000 0.000 0.251 485 D C -2.264 174.096 176.300 0.100 0.000 1.137 485 D CA -1.524 52.532 54.000 0.095 0.000 0.890 485 D CB 1.538 42.307 40.800 -0.052 0.000 1.071 485 D HN 0.155 nan 8.370 nan 0.000 0.528 486 P HA 0.070 nan 4.420 nan 0.000 0.261 486 P C -0.761 176.681 177.300 0.237 0.000 1.650 486 P CA -0.095 63.098 63.100 0.154 0.000 0.846 486 P CB -0.933 30.824 31.700 0.095 0.000 1.758 487 F N -1.677 118.205 119.950 -0.114 0.000 2.665 487 F HA 0.614 5.140 4.527 -0.000 0.000 0.308 487 F C -1.699 173.942 175.800 -0.266 0.000 1.112 487 F CA -2.117 55.720 58.000 -0.273 0.000 0.972 487 F CB 0.646 39.433 39.000 -0.355 0.000 1.295 487 F HN -0.313 nan 8.300 nan 0.000 0.440 488 I N 2.672 123.033 120.570 -0.349 0.000 2.509 488 I HA 0.816 4.986 4.170 -0.000 0.000 0.293 488 I C -0.627 175.304 176.117 -0.309 0.000 1.020 488 I CA -1.134 59.986 61.300 -0.300 0.000 1.088 488 I CB 2.038 40.014 38.000 -0.040 0.000 1.267 488 I HN 1.010 nan 8.210 nan 0.000 0.430 489 A N 7.543 130.227 122.820 -0.227 0.000 2.374 489 A HA 0.912 5.232 4.320 -0.000 0.000 0.305 489 A C -0.882 176.735 177.584 0.054 0.000 1.053 489 A CA -0.476 51.490 52.037 -0.118 0.000 0.726 489 A CB 1.261 20.142 19.000 -0.199 0.000 1.229 489 A HN 0.719 nan 8.150 nan 0.000 0.431 490 I N 0.066 120.732 120.570 0.160 0.000 2.686 490 I HA 0.904 5.074 4.170 -0.000 0.000 0.295 490 I C -0.717 175.456 176.117 0.094 0.000 1.114 490 I CA -0.896 60.436 61.300 0.053 0.000 1.038 490 I CB 2.343 40.325 38.000 -0.029 0.000 1.238 490 I HN 0.921 nan 8.210 nan 0.000 0.420 491 H N 3.113 122.235 119.070 0.087 0.000 2.960 491 H HA 0.779 5.335 4.556 -0.000 0.000 0.338 491 H C 0.573 175.975 175.328 0.123 0.000 1.261 491 H CA -0.427 55.596 56.048 -0.043 0.000 1.136 491 H CB 1.132 30.721 29.762 -0.288 0.000 1.875 491 H HN 0.645 nan 8.280 nan 0.000 0.550 492 A N 0.109 123.094 122.820 0.274 0.000 1.927 492 A HA -0.211 4.109 4.320 -0.000 0.000 0.220 492 A C 1.600 179.313 177.584 0.214 0.000 1.185 492 A CA 2.020 54.203 52.037 0.244 0.000 0.639 492 A CB -0.706 18.363 19.000 0.115 0.000 0.820 492 A HN 0.728 nan 8.150 nan 0.000 0.451 493 E N -0.169 120.250 120.200 0.365 0.000 2.489 493 E HA -0.014 4.336 4.350 -0.000 0.000 0.193 493 E C 1.640 178.302 176.600 0.103 0.000 1.057 493 E CA 0.868 57.405 56.400 0.229 0.000 0.866 493 E CB -0.050 29.789 29.700 0.232 0.000 0.916 493 E HN 0.722 nan 8.360 nan 0.000 0.500 494 S N 0.097 115.737 115.700 -0.100 0.000 2.557 494 S HA 0.080 4.550 4.470 -0.000 0.000 0.223 494 S C 0.743 175.278 174.600 -0.108 0.000 0.969 494 S CA -0.479 57.604 58.200 -0.195 0.000 0.927 494 S CB 0.050 62.966 63.200 -0.473 0.000 0.806 494 S HN -0.035 nan 8.310 nan 0.000 0.489 495 K N 1.440 121.755 120.400 -0.141 0.000 2.298 495 K HA 0.377 4.697 4.320 -0.000 0.000 0.280 495 K C -0.129 176.292 176.600 -0.299 0.000 1.032 495 K CA -0.675 55.329 56.287 -0.471 0.000 0.958 495 K CB 0.307 32.394 32.500 -0.688 0.000 0.978 495 K HN 0.117 nan 8.250 nan 0.000 0.472 496 L N 0.000 121.039 121.223 -0.306 0.000 2.949 496 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 496 L CA 0.000 54.731 54.840 -0.181 0.000 0.813 496 L CB 0.000 41.972 42.059 -0.145 0.000 0.961 496 L HN 0.000 nan 8.230 nan 0.000 0.502