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 1u30_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 ALVFVDNHDN 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 0.000 175.942 175.900 0.070 0.000 1.272 2 Y CA 0.000 58.191 58.100 0.153 0.000 1.940 2 Y CB 0.000 38.480 38.460 0.033 0.000 1.050 3 S N 3.374 119.130 115.700 0.093 0.000 2.523 3 S HA 0.258 4.728 4.470 -0.000 0.000 0.275 3 S C -1.799 172.491 174.600 -0.518 0.000 1.281 3 S CA -1.186 56.908 58.200 -0.176 0.000 1.050 3 S CB 1.075 64.224 63.200 -0.084 0.000 0.937 3 S HN -0.031 nan 8.310 nan 0.000 0.492 4 P HA -0.021 nan 4.420 nan 0.000 0.221 4 P C 0.036 177.017 177.300 -0.531 0.000 1.145 4 P CA 0.636 62.820 63.100 -1.526 0.000 0.795 4 P CB -0.057 30.661 31.700 -1.636 0.000 0.775 5 N N -2.360 116.185 118.700 -0.259 0.000 2.741 5 N HA -0.111 4.629 4.740 -0.000 0.000 0.250 5 N C -0.099 175.479 175.510 0.113 0.000 1.115 5 N CA 1.489 54.536 53.050 -0.004 0.000 0.724 5 N CB -2.340 36.146 38.487 -0.000 0.000 1.090 5 N HN 0.326 nan 8.380 nan 0.000 0.558 6 T N -2.689 111.876 114.554 0.019 0.000 2.849 6 T HA 0.301 4.651 4.350 -0.000 0.000 0.284 6 T C 0.496 175.225 174.700 0.049 0.000 1.004 6 T CA -0.562 61.584 62.100 0.077 0.000 1.021 6 T CB 1.999 70.927 68.868 0.099 0.000 1.013 6 T HN 0.178 nan 8.240 nan 0.000 0.527 7 Q N 0.607 120.429 119.800 0.037 0.000 2.352 7 Q HA 0.058 4.397 4.340 -0.000 0.000 0.260 7 Q C 0.195 176.203 176.000 0.014 0.000 0.976 7 Q CA -0.372 55.439 55.803 0.013 0.000 0.881 7 Q CB 0.529 29.265 28.738 -0.003 0.000 1.235 7 Q HN 0.578 nan 8.270 nan 0.000 0.419 8 Q N 1.624 121.427 119.800 0.006 0.000 2.262 8 Q HA -0.015 4.325 4.340 -0.000 0.000 0.298 8 Q C 0.329 176.328 176.000 -0.002 0.000 1.083 8 Q CA 1.505 57.309 55.803 0.002 0.000 0.962 8 Q CB 0.162 28.900 28.738 -0.001 0.000 1.104 8 Q HN 1.034 nan 8.270 nan 0.000 0.376 9 G N 4.235 113.033 108.800 -0.003 0.000 2.179 9 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.220 9 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.220 9 G C -0.035 174.854 174.900 -0.019 0.000 0.990 9 G CA -0.207 44.883 45.100 -0.015 0.000 0.646 9 G HN 0.569 nan 8.290 nan 0.000 0.517 10 R N 0.717 121.218 120.500 0.003 0.000 2.337 10 R HA 0.525 4.865 4.340 -0.000 0.000 0.319 10 R C 1.047 177.374 176.300 0.044 0.000 0.954 10 R CA 0.230 56.334 56.100 0.007 0.000 0.840 10 R CB 1.036 31.356 30.300 0.034 0.000 1.164 10 R HN 0.294 nan 8.270 nan 0.000 0.472 11 T N -2.552 111.995 114.554 -0.012 0.000 3.054 11 T HA 0.220 4.570 4.350 -0.000 0.000 0.255 11 T C 0.467 174.996 174.700 -0.284 0.000 1.035 11 T CA -0.162 61.933 62.100 -0.008 0.000 0.941 11 T CB 0.428 69.266 68.868 -0.051 0.000 1.026 11 T HN 0.224 nan 8.240 nan 0.000 0.533 12 S N 1.208 116.753 115.700 -0.258 0.000 2.569 12 S HA 0.778 5.248 4.470 -0.000 0.000 0.280 12 S C -0.702 173.832 174.600 -0.110 0.000 1.111 12 S CA -1.062 56.892 58.200 -0.410 0.000 0.887 12 S CB 1.738 64.750 63.200 -0.313 0.000 1.095 12 S HN 0.588 nan 8.310 nan 0.000 0.476 13 I N -0.760 119.738 120.570 -0.120 0.000 2.693 13 I HA 0.914 5.084 4.170 -0.000 0.000 0.303 13 I C -0.839 175.338 176.117 0.099 0.000 1.025 13 I CA -1.051 60.311 61.300 0.103 0.000 1.086 13 I CB 1.724 39.808 38.000 0.139 0.000 1.268 13 I HN 0.407 nan 8.210 nan 0.000 0.440 14 V N 3.869 123.857 119.914 0.122 0.000 2.555 14 V HA 0.403 4.523 4.120 -0.000 0.000 0.302 14 V C -1.001 175.109 176.094 0.027 0.000 1.038 14 V CA -0.376 61.944 62.300 0.033 0.000 0.887 14 V CB 1.481 33.224 31.823 -0.135 0.000 0.991 14 V HN 0.875 nan 8.190 nan 0.000 0.434 15 H N 6.875 125.901 119.070 -0.073 0.000 2.969 15 H HA 0.387 4.943 4.556 -0.000 0.000 0.269 15 H C -0.275 174.978 175.328 -0.125 0.000 1.223 15 H CA -0.469 55.558 56.048 -0.034 0.000 1.400 15 H CB 0.317 30.086 29.762 0.011 0.000 1.500 15 H HN 0.613 nan 8.280 nan 0.000 0.486 16 L N 6.816 127.904 121.223 -0.223 0.000 2.423 16 L HA 0.078 4.418 4.340 -0.000 0.000 0.249 16 L C 0.104 176.806 176.870 -0.280 0.000 1.276 16 L CA -0.570 53.845 54.840 -0.708 0.000 1.199 16 L CB -0.734 40.646 42.059 -1.132 0.000 1.407 16 L HN 0.453 nan 8.230 nan 0.000 0.410 17 F N 4.169 123.857 119.950 -0.436 0.000 2.571 17 F HA -0.039 4.488 4.527 -0.000 0.000 0.390 17 F C 1.401 177.409 175.800 0.346 0.000 1.043 17 F CA 0.179 58.032 58.000 -0.246 0.000 1.164 17 F CB -0.134 38.638 39.000 -0.380 0.000 1.049 17 F HN 0.500 nan 8.300 nan 0.000 0.552 18 E N 2.447 122.673 120.200 0.042 0.000 3.496 18 E HA -0.305 4.045 4.350 -0.000 0.000 0.300 18 E C -0.546 176.157 176.600 0.172 0.000 0.877 18 E CA 0.911 57.305 56.400 -0.009 0.000 1.050 18 E CB -1.646 27.893 29.700 -0.267 0.000 1.532 18 E HN 0.605 nan 8.360 nan 0.000 0.447 19 W N 1.518 122.735 121.300 -0.139 0.000 2.150 19 W HA 0.218 4.878 4.660 -0.000 0.000 0.341 19 W C 1.524 177.859 176.519 -0.307 0.000 1.276 19 W CA -0.048 57.105 57.345 -0.320 0.000 1.238 19 W CB 0.270 29.541 29.460 -0.316 0.000 1.128 19 W HN -0.096 nan 8.180 nan 0.000 0.581 20 R N 1.427 121.838 120.500 -0.148 0.000 2.615 20 R HA 0.093 4.433 4.340 -0.000 0.000 0.270 20 R C 1.003 177.299 176.300 -0.007 0.000 1.081 20 R CA -0.302 55.645 56.100 -0.254 0.000 1.154 20 R CB 0.512 30.693 30.300 -0.198 0.000 1.063 20 R HN 0.688 nan 8.270 nan 0.000 0.519 21 W N 0.314 121.664 121.300 0.083 0.000 2.363 21 W HA -0.160 4.499 4.660 -0.000 0.000 0.296 21 W C 1.880 178.417 176.519 0.029 0.000 1.212 21 W CA -0.032 57.356 57.345 0.072 0.000 1.260 21 W CB -0.231 29.292 29.460 0.105 0.000 1.131 21 W HN 0.394 nan 8.180 nan 0.000 0.530 22 V N 0.996 121.041 119.914 0.218 0.000 2.626 22 V HA -0.233 3.887 4.120 -0.000 0.000 0.252 22 V C 1.619 177.758 176.094 0.076 0.000 1.067 22 V CA 2.146 64.516 62.300 0.117 0.000 1.081 22 V CB -0.440 31.425 31.823 0.071 0.000 0.686 22 V HN 0.064 nan 8.190 nan 0.000 0.468 23 D N -0.223 120.212 120.400 0.059 0.000 2.162 23 D HA -0.008 4.631 4.640 -0.000 0.000 0.203 23 D C 2.029 178.451 176.300 0.205 0.000 0.967 23 D CA 1.320 55.339 54.000 0.031 0.000 0.840 23 D CB 0.047 40.736 40.800 -0.184 0.000 0.972 23 D HN 0.475 nan 8.370 nan 0.000 0.482 24 I N 1.282 122.009 120.570 0.262 0.000 2.353 24 I HA -0.184 3.986 4.170 -0.000 0.000 0.248 24 I C 2.516 178.684 176.117 0.085 0.000 1.119 24 I CA 0.681 62.099 61.300 0.197 0.000 1.417 24 I CB -0.151 37.964 38.000 0.192 0.000 1.078 24 I HN -0.107 nan 8.210 nan 0.000 0.421 25 A N 1.072 123.938 122.820 0.077 0.000 1.902 25 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 25 A C 2.302 179.904 177.584 0.030 0.000 1.181 25 A CA 1.469 53.519 52.037 0.022 0.000 0.623 25 A CB -0.810 18.205 19.000 0.026 0.000 0.818 25 A HN 0.370 nan 8.150 nan 0.000 0.443 26 L N -1.220 120.036 121.223 0.055 0.000 2.056 26 L HA -0.154 4.186 4.340 -0.000 0.000 0.207 26 L C 2.634 179.550 176.870 0.076 0.000 1.078 26 L CA 1.628 56.501 54.840 0.054 0.000 0.749 26 L CB -0.372 41.714 42.059 0.045 0.000 0.901 26 L HN 0.435 nan 8.230 nan 0.000 0.433 27 E N -0.451 119.815 120.200 0.110 0.000 2.150 27 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 27 E C 2.244 178.888 176.600 0.074 0.000 0.985 27 E CA 1.238 57.717 56.400 0.131 0.000 0.814 27 E CB -0.197 29.611 29.700 0.180 0.000 0.752 27 E HN 0.413 nan 8.360 nan 0.000 0.466 28 c N 0.456 119.070 118.600 0.023 0.000 2.429 28 c HA -0.088 4.482 4.570 -0.000 0.000 0.277 28 c C 2.324 176.424 174.090 0.017 0.000 1.262 28 c CA 1.160 57.485 56.329 -0.007 0.000 1.733 28 c CB -0.791 41.691 42.510 -0.047 0.000 2.010 28 c HN 0.532 nan 8.230 nan 0.000 0.483 29 E N 0.369 120.586 120.200 0.027 0.000 2.076 29 E HA -0.139 4.211 4.350 -0.000 0.000 0.190 29 E C 2.383 179.015 176.600 0.054 0.000 0.979 29 E CA 0.840 57.258 56.400 0.031 0.000 0.807 29 E CB -0.210 29.505 29.700 0.025 0.000 0.761 29 E HN 0.684 nan 8.360 nan 0.000 0.454 30 R N -0.810 119.741 120.500 0.085 0.000 2.161 30 R HA -0.027 4.313 4.340 -0.000 0.000 0.213 30 R C 1.278 177.690 176.300 0.186 0.000 1.055 30 R CA 1.097 57.267 56.100 0.117 0.000 0.996 30 R CB -0.013 30.358 30.300 0.119 0.000 0.901 30 R HN 0.212 nan 8.270 nan 0.000 0.456 31 Y N 0.248 120.569 120.300 0.034 0.000 2.921 31 Y HA 0.274 4.824 4.550 -0.000 0.000 0.246 31 Y C 1.906 177.835 175.900 0.048 0.000 1.030 31 Y CA -0.128 57.997 58.100 0.042 0.000 1.338 31 Y CB 0.276 38.755 38.460 0.032 0.000 1.493 31 Y HN -0.175 nan 8.280 nan 0.000 0.452 32 L N 0.194 121.496 121.223 0.132 0.000 2.012 32 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 32 L C 2.588 179.546 176.870 0.148 0.000 1.073 32 L CA 1.658 56.533 54.840 0.059 0.000 0.748 32 L CB -0.953 41.071 42.059 -0.059 0.000 0.891 32 L HN 0.339 nan 8.230 nan 0.000 0.431 33 A N 0.218 123.080 122.820 0.070 0.000 1.873 33 A HA -0.064 4.256 4.320 -0.000 0.000 0.215 33 A C 0.124 177.728 177.584 0.033 0.000 1.186 33 A CA 1.321 53.389 52.037 0.051 0.000 0.616 33 A CB -1.753 17.258 19.000 0.019 0.000 0.823 33 A HN 0.274 nan 8.150 nan 0.000 0.442 34 P HA -0.091 nan 4.420 nan 0.000 0.220 34 P C 0.829 178.101 177.300 -0.048 0.000 1.148 34 P CA 1.248 64.331 63.100 -0.028 0.000 0.803 34 P CB 0.054 31.725 31.700 -0.048 0.000 0.782 35 K N -1.798 118.571 120.400 -0.052 0.000 2.404 35 K HA 0.325 4.645 4.320 -0.000 0.000 0.194 35 K C 1.045 177.668 176.600 0.039 0.000 1.023 35 K CA 0.535 56.806 56.287 -0.028 0.000 1.094 35 K CB -0.601 31.832 32.500 -0.111 0.000 0.841 35 K HN 0.056 nan 8.250 nan 0.000 0.523 36 G N 0.752 109.594 108.800 0.070 0.000 2.182 36 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.248 36 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.248 36 G C -0.345 174.555 174.900 0.001 0.000 1.042 36 G CA -0.399 44.710 45.100 0.015 0.000 0.775 36 G HN 0.165 nan 8.290 nan 0.000 0.501 37 F N 0.377 120.326 119.950 -0.001 0.000 2.412 37 F HA 0.519 5.046 4.527 -0.000 0.000 0.348 37 F C 1.791 177.606 175.800 0.025 0.000 1.102 37 F CA 0.765 58.776 58.000 0.018 0.000 1.196 37 F CB 1.452 40.476 39.000 0.039 0.000 1.144 37 F HN 0.011 nan 8.300 nan 0.000 0.541 38 G N 1.569 110.490 108.800 0.202 0.000 2.408 38 G HA2 0.374 4.334 3.960 -0.000 0.000 0.215 38 G HA3 0.374 4.334 3.960 -0.000 0.000 0.215 38 G C 0.515 175.556 174.900 0.235 0.000 1.156 38 G CA 0.715 45.930 45.100 0.191 0.000 0.793 38 G HN 0.993 nan 8.290 nan 0.000 0.535 39 G N -2.100 106.874 108.800 0.290 0.000 2.548 39 G HA2 0.474 4.433 3.960 -0.000 0.000 0.301 39 G HA3 0.474 4.433 3.960 -0.000 0.000 0.301 39 G C -2.198 172.849 174.900 0.246 0.000 1.349 39 G CA -0.263 45.021 45.100 0.307 0.000 0.792 39 G HN 0.464 nan 8.290 nan 0.000 0.481 40 V N 0.345 120.391 119.914 0.220 0.000 2.638 40 V HA 0.541 4.661 4.120 -0.000 0.000 0.306 40 V C -0.285 175.972 176.094 0.272 0.000 1.052 40 V CA -0.664 61.717 62.300 0.135 0.000 0.885 40 V CB 1.648 33.454 31.823 -0.028 0.000 0.999 40 V HN 0.846 nan 8.190 nan 0.000 0.424 41 Q N 3.496 123.462 119.800 0.276 0.000 2.303 41 Q HA 0.625 4.965 4.340 -0.000 0.000 0.257 41 Q C -0.620 175.582 176.000 0.337 0.000 0.941 41 Q CA -0.455 55.539 55.803 0.318 0.000 0.931 41 Q CB 1.816 30.679 28.738 0.209 0.000 1.215 41 Q HN 0.814 nan 8.270 nan 0.000 0.437 42 V N 1.232 121.336 119.914 0.317 0.000 2.837 42 V HA 0.584 4.704 4.120 -0.000 0.000 0.310 42 V C 0.100 176.477 176.094 0.471 0.000 1.059 42 V CA -0.791 61.763 62.300 0.424 0.000 1.004 42 V CB 1.662 33.747 31.823 0.436 0.000 1.045 42 V HN 0.762 nan 8.190 nan 0.000 0.465 43 S N 2.853 118.876 115.700 0.538 0.000 2.593 43 S HA 0.357 4.827 4.470 -0.000 0.000 0.269 43 S C -2.384 172.438 174.600 0.370 0.000 1.334 43 S CA -0.414 58.045 58.200 0.432 0.000 1.015 43 S CB 0.295 63.694 63.200 0.331 0.000 0.912 43 S HN 0.843 nan 8.310 nan 0.000 0.541 44 P HA 0.027 nan 4.420 nan 0.000 0.258 44 P C -1.848 175.596 177.300 0.239 0.000 1.172 44 P CA -0.628 62.555 63.100 0.138 0.000 0.762 44 P CB 0.088 31.742 31.700 -0.075 0.000 0.764 45 P HA -0.055 nan 4.420 nan 0.000 0.245 45 P C -0.172 177.217 177.300 0.148 0.000 1.206 45 P CA 0.594 63.856 63.100 0.270 0.000 0.781 45 P CB 0.209 31.758 31.700 -0.253 0.000 0.994 46 N N 0.745 119.514 118.700 0.116 0.000 2.515 46 N HA 0.033 4.773 4.740 -0.000 0.000 0.279 46 N C -0.190 175.296 175.510 -0.039 0.000 1.164 46 N CA -0.387 52.672 53.050 0.015 0.000 0.982 46 N CB 1.351 39.768 38.487 -0.116 0.000 1.170 46 N HN -0.020 nan 8.380 nan 0.000 0.474 47 E N 0.629 120.784 120.200 -0.075 0.000 2.529 47 E HA -0.094 4.256 4.350 -0.000 0.000 0.259 47 E C -0.366 176.141 176.600 -0.154 0.000 0.966 47 E CA 0.065 56.408 56.400 -0.096 0.000 0.937 47 E CB 0.299 29.942 29.700 -0.096 0.000 0.923 47 E HN 0.754 nan 8.360 nan 0.000 0.468 48 N N 1.766 120.379 118.700 -0.145 0.000 2.577 48 N HA 0.257 4.997 4.740 -0.000 0.000 0.285 48 N C -0.885 174.504 175.510 -0.201 0.000 1.309 48 N CA -0.758 52.187 53.050 -0.175 0.000 0.798 48 N CB 1.006 39.414 38.487 -0.132 0.000 1.463 48 N HN 0.153 nan 8.380 nan 0.000 0.518 49 V N 0.236 120.028 119.914 -0.203 0.000 2.637 49 V HA 0.334 4.454 4.120 -0.000 0.000 0.296 49 V C 0.666 176.702 176.094 -0.098 0.000 1.046 49 V CA -0.587 61.624 62.300 -0.148 0.000 1.066 49 V CB 0.573 32.369 31.823 -0.045 0.000 0.968 49 V HN 0.832 nan 8.190 nan 0.000 0.483 50 A N 6.862 129.653 122.820 -0.048 0.000 2.506 50 A HA 0.597 4.917 4.320 -0.000 0.000 0.320 50 A C -0.191 177.267 177.584 -0.209 0.000 1.424 50 A CA -0.328 51.601 52.037 -0.178 0.000 1.044 50 A CB -0.467 18.502 19.000 -0.053 0.000 1.140 50 A HN 0.781 nan 8.150 nan 0.000 0.538 51 I N 2.288 122.662 120.570 -0.327 0.000 2.352 51 I HA 0.136 4.306 4.170 -0.000 0.000 0.290 51 I C 0.109 175.948 176.117 -0.462 0.000 1.036 51 I CA 0.072 61.222 61.300 -0.251 0.000 1.336 51 I CB 0.857 38.731 38.000 -0.210 0.000 1.407 51 I HN 0.757 nan 8.210 nan 0.000 0.497 52 Y N 3.458 123.697 120.300 -0.100 0.000 2.449 52 Y HA 0.153 4.703 4.550 -0.000 0.000 0.254 52 Y C 0.768 176.654 175.900 -0.023 0.000 1.140 52 Y CA -0.185 57.882 58.100 -0.057 0.000 1.272 52 Y CB 0.267 38.740 38.460 0.023 0.000 1.114 52 Y HN 0.510 nan 8.280 nan 0.000 0.525 53 N N 1.517 120.237 118.700 0.034 0.000 2.617 53 N HA 0.227 4.966 4.740 -0.000 0.000 0.263 53 N C -2.929 172.521 175.510 -0.100 0.000 1.074 53 N CA -1.943 51.090 53.050 -0.027 0.000 0.841 53 N CB 1.023 39.522 38.487 0.019 0.000 1.221 53 N HN -0.125 nan 8.380 nan 0.000 0.529 54 P HA 0.204 nan 4.420 nan 0.000 0.274 54 P C -0.461 176.660 177.300 -0.299 0.000 1.256 54 P CA -0.458 62.342 63.100 -0.499 0.000 0.795 54 P CB 0.683 31.669 31.700 -1.190 0.000 1.038 55 F N 2.691 122.476 119.950 -0.275 0.000 2.518 55 F HA 0.039 4.566 4.527 -0.000 0.000 0.375 55 F C 0.860 176.633 175.800 -0.046 0.000 1.097 55 F CA 0.059 58.022 58.000 -0.062 0.000 1.108 55 F CB -0.228 38.819 39.000 0.079 0.000 1.078 55 F HN 0.226 nan 8.300 nan 0.000 0.564 56 R N 3.778 123.782 120.500 -0.826 0.000 2.965 56 R HA -0.169 4.171 4.340 -0.000 0.000 0.245 56 R C -2.577 173.460 176.300 -0.439 0.000 0.861 56 R CA 0.267 55.913 56.100 -0.757 0.000 0.614 56 R CB -2.241 27.485 30.300 -0.957 0.000 1.229 56 R HN 0.401 nan 8.270 nan 0.000 0.503 57 P HA -0.026 nan 4.420 nan 0.000 0.272 57 P C 1.456 178.449 177.300 -0.512 0.000 1.240 57 P CA -0.500 62.263 63.100 -0.562 0.000 0.791 57 P CB 0.240 31.117 31.700 -1.373 0.000 0.978 58 W N 2.552 123.722 121.300 -0.217 0.000 2.363 58 W HA -0.117 4.543 4.660 -0.000 0.000 0.296 58 W C 1.768 178.412 176.519 0.209 0.000 1.212 58 W CA 0.875 58.231 57.345 0.019 0.000 1.260 58 W CB -1.917 27.709 29.460 0.278 0.000 1.131 58 W HN 0.478 nan 8.180 nan 0.000 0.530 59 W N 3.437 124.208 121.300 -0.882 0.000 2.721 59 W HA -0.023 4.637 4.660 -0.000 0.000 0.245 59 W C 1.607 178.019 176.519 -0.179 0.000 1.276 59 W CA 0.980 57.924 57.345 -0.668 0.000 1.342 59 W CB -1.361 27.409 29.460 -1.150 0.000 1.135 59 W HN 0.223 nan 8.180 nan 0.000 0.654 60 E N 1.784 121.938 120.200 -0.076 0.000 2.268 60 E HA -0.167 4.183 4.350 -0.000 0.000 0.195 60 E C 1.890 178.484 176.600 -0.009 0.000 0.995 60 E CA 0.839 57.220 56.400 -0.031 0.000 0.836 60 E CB -0.556 29.002 29.700 -0.236 0.000 0.763 60 E HN 0.254 nan 8.360 nan 0.000 0.491 61 R N -0.433 120.045 120.500 -0.037 0.000 2.280 61 R HA -0.032 4.308 4.340 -0.000 0.000 0.207 61 R C 0.473 176.591 176.300 -0.302 0.000 1.043 61 R CA 0.748 56.747 56.100 -0.168 0.000 1.006 61 R CB -0.035 30.145 30.300 -0.200 0.000 0.885 61 R HN 0.312 nan 8.270 nan 0.000 0.467 62 Y N 0.236 120.639 120.300 0.172 0.000 2.625 62 Y HA 0.205 4.755 4.550 -0.000 0.000 0.285 62 Y C 0.190 176.224 175.900 0.223 0.000 1.168 62 Y CA -0.001 58.235 58.100 0.227 0.000 1.250 62 Y CB 0.520 39.150 38.460 0.284 0.000 1.130 62 Y HN -0.109 nan 8.280 nan 0.000 0.526 63 Q N 1.103 121.005 119.800 0.171 0.000 2.907 63 Q HA 0.272 4.612 4.340 -0.000 0.000 0.262 63 Q C -2.704 173.277 176.000 -0.030 0.000 0.997 63 Q CA -2.033 53.841 55.803 0.119 0.000 0.797 63 Q CB 1.310 30.116 28.738 0.113 0.000 1.228 63 Q HN 0.083 nan 8.270 nan 0.000 0.466 64 P HA -0.051 nan 4.420 nan 0.000 0.267 64 P C 0.141 177.257 177.300 -0.307 0.000 1.200 64 P CA 0.136 63.108 63.100 -0.213 0.000 0.772 64 P CB 1.251 32.805 31.700 -0.243 0.000 0.855 65 V N 0.645 120.356 119.914 -0.340 0.000 3.219 65 V HA 0.105 4.225 4.120 -0.000 0.000 0.240 65 V C 0.823 176.777 176.094 -0.232 0.000 1.222 65 V CA 1.471 63.592 62.300 -0.299 0.000 1.181 65 V CB 0.483 32.013 31.823 -0.488 0.000 0.941 65 V HN 0.795 nan 8.190 nan 0.000 0.471 66 S N -2.291 113.184 115.700 -0.375 0.000 2.727 66 S HA 0.462 4.932 4.470 -0.000 0.000 0.278 66 S C -0.797 173.418 174.600 -0.642 0.000 1.186 66 S CA -0.367 57.538 58.200 -0.492 0.000 0.836 66 S CB 0.975 64.040 63.200 -0.225 0.000 1.186 66 S HN -0.031 nan 8.310 nan 0.000 0.499 67 Y N 0.817 120.944 120.300 -0.288 0.000 2.607 67 Y HA 0.471 5.021 4.550 -0.000 0.000 0.266 67 Y C 0.546 176.334 175.900 -0.188 0.000 1.178 67 Y CA -0.873 56.968 58.100 -0.432 0.000 1.226 67 Y CB -0.186 37.971 38.460 -0.506 0.000 1.144 67 Y HN 0.395 nan 8.280 nan 0.000 0.528 68 K N 0.899 121.282 120.400 -0.028 0.000 2.368 68 K HA 0.182 4.502 4.320 -0.000 0.000 0.282 68 K C -0.602 176.026 176.600 0.045 0.000 1.035 68 K CA -0.504 55.794 56.287 0.018 0.000 0.973 68 K CB 0.746 33.248 32.500 0.003 0.000 0.957 68 K HN -0.072 nan 8.250 nan 0.000 0.474 69 L N 3.891 125.161 121.223 0.079 0.000 2.384 69 L HA 0.083 4.423 4.340 -0.000 0.000 0.258 69 L C -0.410 176.537 176.870 0.129 0.000 1.266 69 L CA 0.235 55.119 54.840 0.073 0.000 1.162 69 L CB -0.276 41.785 42.059 0.003 0.000 1.375 69 L HN 0.607 nan 8.230 nan 0.000 0.420 70 c N 2.179 120.846 118.600 0.112 0.000 3.027 70 c HA 0.682 5.252 4.570 -0.000 0.000 0.350 70 c C 0.343 174.469 174.090 0.060 0.000 1.042 70 c CA -0.046 56.344 56.329 0.102 0.000 1.350 70 c CB -0.089 42.462 42.510 0.067 0.000 1.809 70 c HN 0.877 nan 8.230 nan 0.000 0.513 71 T N 1.530 116.122 114.554 0.063 0.000 2.742 71 T HA 0.511 4.861 4.350 -0.000 0.000 0.282 71 T C 1.030 175.674 174.700 -0.094 0.000 1.025 71 T CA -0.667 61.420 62.100 -0.022 0.000 1.020 71 T CB 1.086 69.943 68.868 -0.018 0.000 1.317 71 T HN 0.508 nan 8.240 nan 0.000 0.538 72 R N 0.073 120.485 120.500 -0.146 0.000 2.237 72 R HA 0.036 4.376 4.340 -0.000 0.000 0.219 72 R C 2.037 178.179 176.300 -0.262 0.000 1.080 72 R CA 0.879 56.876 56.100 -0.172 0.000 0.995 72 R CB -0.383 29.811 30.300 -0.176 0.000 0.875 72 R HN 0.540 nan 8.270 nan 0.000 0.462 73 S N -0.499 114.938 115.700 -0.437 0.000 2.496 73 S HA 0.142 4.612 4.470 -0.000 0.000 0.224 73 S C 0.733 174.799 174.600 -0.891 0.000 0.996 73 S CA 0.639 58.337 58.200 -0.836 0.000 0.927 73 S CB 0.722 62.983 63.200 -1.565 0.000 0.774 73 S HN 0.645 nan 8.310 nan 0.000 0.524 74 G N 1.452 109.995 108.800 -0.429 0.000 0.000 74 G HA2 0.100 4.060 3.960 -0.000 0.000 0.000 74 G HA3 0.100 4.060 3.960 -0.000 0.000 0.000 74 G C -1.232 173.818 174.900 0.249 0.000 0.000 74 G CA -0.628 44.444 45.100 -0.048 0.000 0.000 74 G HN 0.356 nan 8.290 nan 0.000 0.000 75 N N -0.733 118.146 118.700 0.298 0.000 2.566 75 N HA 0.448 5.188 4.740 -0.000 0.000 0.299 75 N C 1.106 176.817 175.510 0.336 0.000 1.277 75 N CA 0.161 53.373 53.050 0.270 0.000 0.965 75 N CB 0.853 39.442 38.487 0.170 0.000 1.142 75 N HN 0.753 nan 8.380 nan 0.000 0.596 76 E N -0.793 119.549 120.200 0.237 0.000 2.058 76 E HA -0.247 4.103 4.350 -0.000 0.000 0.194 76 E C 0.498 177.235 176.600 0.228 0.000 0.997 76 E CA 1.482 58.018 56.400 0.227 0.000 0.801 76 E CB -0.147 29.666 29.700 0.189 0.000 0.746 76 E HN 0.542 nan 8.360 nan 0.000 0.450 77 D N 0.238 120.749 120.400 0.186 0.000 2.117 77 D HA -0.166 4.474 4.640 -0.000 0.000 0.197 77 D C 1.769 178.161 176.300 0.153 0.000 0.987 77 D CA 1.113 55.202 54.000 0.147 0.000 0.829 77 D CB -0.078 40.793 40.800 0.119 0.000 0.961 77 D HN 0.366 nan 8.370 nan 0.000 0.460 78 E N -0.143 120.188 120.200 0.219 0.000 2.150 78 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 78 E C 1.867 178.599 176.600 0.220 0.000 0.985 78 E CA 0.321 56.876 56.400 0.258 0.000 0.814 78 E CB -0.110 29.811 29.700 0.368 0.000 0.752 78 E HN 0.214 nan 8.360 nan 0.000 0.466 79 F N 1.804 121.748 119.950 -0.010 0.000 2.113 79 F HA -0.100 4.427 4.527 -0.000 0.000 0.297 79 F C 2.209 177.848 175.800 -0.268 0.000 1.103 79 F CA 1.404 59.140 58.000 -0.440 0.000 1.248 79 F CB 0.092 38.781 39.000 -0.520 0.000 0.999 79 F HN -0.219 nan 8.300 nan 0.000 0.475 80 R N 0.175 120.643 120.500 -0.055 0.000 2.096 80 R HA -0.203 4.136 4.340 -0.000 0.000 0.235 80 R C 2.264 178.483 176.300 -0.134 0.000 1.127 80 R CA 1.414 57.453 56.100 -0.102 0.000 0.968 80 R CB -0.966 29.357 30.300 0.037 0.000 0.861 80 R HN 0.456 nan 8.270 nan 0.000 0.440 81 N N 1.034 119.695 118.700 -0.065 0.000 2.120 81 N HA -0.204 4.536 4.740 -0.000 0.000 0.188 81 N C 1.899 177.346 175.510 -0.105 0.000 1.024 81 N CA 1.279 54.306 53.050 -0.039 0.000 0.852 81 N CB 0.010 38.510 38.487 0.021 0.000 1.003 81 N HN 0.207 nan 8.380 nan 0.000 0.424 82 M N 0.872 120.369 119.600 -0.171 0.000 2.086 82 M HA -0.136 4.344 4.480 -0.000 0.000 0.261 82 M C 1.948 178.039 176.300 -0.349 0.000 1.067 82 M CA 1.371 56.539 55.300 -0.220 0.000 1.116 82 M CB -0.087 32.372 32.600 -0.236 0.000 1.348 82 M HN -0.022 nan 8.290 nan 0.000 0.407 83 V N 0.571 120.165 119.914 -0.535 0.000 2.343 83 V HA -0.262 3.857 4.120 -0.000 0.000 0.247 83 V C 2.333 178.123 176.094 -0.506 0.000 1.051 83 V CA 2.364 64.312 62.300 -0.587 0.000 1.036 83 V CB -1.320 30.089 31.823 -0.689 0.000 0.654 83 V HN 0.583 nan 8.190 nan 0.000 0.451 84 T N -0.315 114.047 114.554 -0.320 0.000 2.708 84 T HA -0.195 4.155 4.350 -0.000 0.000 0.266 84 T C 2.089 176.712 174.700 -0.129 0.000 1.037 84 T CA 1.614 63.628 62.100 -0.144 0.000 1.146 84 T CB -0.242 68.679 68.868 0.089 0.000 0.865 84 T HN 0.405 nan 8.240 nan 0.000 0.435 85 R N 0.005 120.434 120.500 -0.117 0.000 2.092 85 R HA -0.004 4.336 4.340 -0.000 0.000 0.231 85 R C 2.764 178.986 176.300 -0.130 0.000 1.119 85 R CA 1.202 57.253 56.100 -0.082 0.000 0.970 85 R CB -0.643 29.626 30.300 -0.052 0.000 0.864 85 R HN 0.377 nan 8.270 nan 0.000 0.440 86 c N 0.503 118.978 118.600 -0.208 0.000 2.453 86 c HA 0.006 4.576 4.570 -0.000 0.000 0.277 86 c C 2.295 176.210 174.090 -0.291 0.000 1.262 86 c CA 0.381 56.578 56.329 -0.220 0.000 1.718 86 c CB -0.901 41.461 42.510 -0.247 0.000 2.031 86 c HN 0.505 nan 8.230 nan 0.000 0.480 87 N N 1.599 120.006 118.700 -0.489 0.000 2.166 87 N HA -0.089 4.651 4.740 -0.000 0.000 0.186 87 N C 1.318 176.565 175.510 -0.439 0.000 1.019 87 N CA 1.100 53.714 53.050 -0.725 0.000 0.856 87 N CB -0.609 36.896 38.487 -1.637 0.000 0.993 87 N HN 0.490 nan 8.380 nan 0.000 0.426 88 N N 0.060 118.649 118.700 -0.185 0.000 2.453 88 N HA -0.070 4.670 4.740 -0.000 0.000 0.183 88 N C 1.113 176.619 175.510 -0.006 0.000 1.041 88 N CA 0.267 53.350 53.050 0.055 0.000 0.900 88 N CB 0.104 38.657 38.487 0.110 0.000 0.961 88 N HN 0.040 nan 8.380 nan 0.000 0.443 89 V N -0.791 119.085 119.914 -0.063 0.000 3.319 89 V HA 0.298 4.418 4.120 -0.000 0.000 0.317 89 V C 1.003 177.064 176.094 -0.055 0.000 1.411 89 V CA 0.617 62.891 62.300 -0.042 0.000 1.112 89 V CB -0.279 31.525 31.823 -0.032 0.000 1.031 89 V HN 0.399 nan 8.190 nan 0.000 0.448 90 G N 0.512 109.253 108.800 -0.097 0.000 2.159 90 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.256 90 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.256 90 G C 0.166 175.015 174.900 -0.085 0.000 0.977 90 G CA 0.313 45.355 45.100 -0.097 0.000 0.652 90 G HN 0.599 nan 8.290 nan 0.000 0.531 91 V N 2.533 122.383 119.914 -0.107 0.000 2.370 91 V HA 0.567 4.686 4.120 -0.000 0.000 0.279 91 V C 0.662 176.663 176.094 -0.155 0.000 1.029 91 V CA -1.177 61.080 62.300 -0.072 0.000 0.870 91 V CB 1.351 33.145 31.823 -0.048 0.000 0.984 91 V HN 0.316 nan 8.190 nan 0.000 0.451 92 R N 4.203 124.634 120.500 -0.116 0.000 2.560 92 R HA 0.527 4.867 4.340 -0.000 0.000 0.270 92 R C -0.573 175.484 176.300 -0.405 0.000 1.074 92 R CA -0.703 55.232 56.100 -0.274 0.000 1.140 92 R CB 0.910 31.049 30.300 -0.267 0.000 1.073 92 R HN 0.419 nan 8.270 nan 0.000 0.527 93 I N 2.826 123.043 120.570 -0.588 0.000 2.406 93 I HA 0.287 4.457 4.170 -0.000 0.000 0.290 93 I C -0.660 175.032 176.117 -0.709 0.000 0.999 93 I CA -0.942 60.055 61.300 -0.505 0.000 1.124 93 I CB 1.047 38.771 38.000 -0.461 0.000 1.289 93 I HN 0.411 nan 8.210 nan 0.000 0.441 94 Y N 4.763 125.034 120.300 -0.049 0.000 2.341 94 Y HA 0.490 5.040 4.550 -0.000 0.000 0.338 94 Y C 0.203 176.078 175.900 -0.042 0.000 0.965 94 Y CA -0.921 57.149 58.100 -0.049 0.000 1.108 94 Y CB 1.933 40.502 38.460 0.181 0.000 1.180 94 Y HN 0.180 nan 8.280 nan 0.000 0.458 95 V N 3.026 122.916 119.914 -0.039 0.000 2.481 95 V HA 0.133 4.253 4.120 -0.000 0.000 0.286 95 V C -0.252 175.944 176.094 0.170 0.000 1.042 95 V CA -0.774 61.581 62.300 0.092 0.000 0.928 95 V CB 1.526 33.403 31.823 0.089 0.000 0.986 95 V HN 0.665 nan 8.190 nan 0.000 0.462 96 D N 4.320 124.830 120.400 0.185 0.000 2.402 96 D HA 0.326 4.966 4.640 -0.000 0.000 0.235 96 D C 0.129 176.549 176.300 0.200 0.000 1.226 96 D CA -0.088 54.009 54.000 0.160 0.000 0.918 96 D CB 1.106 42.021 40.800 0.193 0.000 1.043 96 D HN 0.672 nan 8.370 nan 0.000 0.506 97 A N 4.153 127.082 122.820 0.182 0.000 2.316 97 A HA 0.367 4.687 4.320 -0.000 0.000 0.311 97 A C -0.017 177.633 177.584 0.110 0.000 1.339 97 A CA -0.642 51.498 52.037 0.171 0.000 0.960 97 A CB 0.468 19.490 19.000 0.036 0.000 1.152 97 A HN 0.369 nan 8.150 nan 0.000 0.547 98 V N 5.569 125.549 119.914 0.110 0.000 2.258 98 V HA 0.135 4.255 4.120 -0.000 0.000 0.258 98 V C 0.937 176.980 176.094 -0.084 0.000 1.121 98 V CA 0.304 62.612 62.300 0.013 0.000 0.942 98 V CB -0.476 31.360 31.823 0.022 0.000 1.170 98 V HN 0.879 nan 8.190 nan 0.000 0.487 99 I N 0.463 120.980 120.570 -0.088 0.000 4.082 99 I HA 0.319 4.489 4.170 -0.000 0.000 0.337 99 I C 1.577 177.641 176.117 -0.088 0.000 1.352 99 I CA 0.312 61.569 61.300 -0.073 0.000 1.097 99 I CB 0.106 38.067 38.000 -0.066 0.000 1.048 99 I HN 0.469 nan 8.210 nan 0.000 0.393 100 N N 1.520 120.145 118.700 -0.125 0.000 2.300 100 N HA -0.078 4.662 4.740 -0.000 0.000 0.179 100 N C 0.582 176.121 175.510 0.048 0.000 1.016 100 N CA 1.057 54.117 53.050 0.016 0.000 0.876 100 N CB 0.160 38.764 38.487 0.195 0.000 0.979 100 N HN 0.681 nan 8.380 nan 0.000 0.432 101 H N -3.484 115.600 119.070 0.024 0.000 2.942 101 H HA 0.338 4.894 4.556 0.000 0.000 0.316 101 H C -0.462 174.854 175.328 -0.020 0.000 1.323 101 H CA -0.890 55.167 56.048 0.015 0.000 1.144 101 H CB 0.605 30.380 29.762 0.021 0.000 1.866 101 H HN -0.174 nan 8.280 nan 0.000 0.545 102 M N 0.705 120.373 119.600 0.114 0.000 2.348 102 M HA 0.306 4.786 4.480 -0.000 0.000 0.226 102 M C 0.983 177.329 176.300 0.077 0.000 0.780 102 M CA -0.444 54.789 55.300 -0.111 0.000 1.699 102 M CB 0.306 32.588 32.600 -0.531 0.000 1.192 102 M HN 0.881 nan 8.290 nan 0.000 0.859 103 C N -0.025 119.309 119.300 0.056 0.000 2.480 103 C HA 0.775 5.235 4.460 -0.000 0.000 0.344 103 C C 0.976 176.041 174.990 0.125 0.000 1.380 103 C CA -0.904 58.195 59.018 0.135 0.000 2.386 103 C CB -0.670 27.166 27.740 0.160 0.000 2.210 103 C HN 0.827 nan 8.230 nan 0.000 0.640 104 G N 1.365 110.221 108.800 0.094 0.000 2.441 104 G HA2 0.221 4.181 3.960 -0.000 0.000 0.243 104 G HA3 0.221 4.181 3.960 -0.000 0.000 0.243 104 G C 0.890 175.819 174.900 0.048 0.000 1.281 104 G CA 0.113 45.236 45.100 0.038 0.000 0.854 104 G HN 1.028 nan 8.290 nan 0.000 0.560 105 N N 1.316 120.014 118.700 -0.003 0.000 2.453 105 N HA -0.096 4.644 4.740 -0.000 0.000 0.183 105 N C 1.731 177.227 175.510 -0.024 0.000 1.041 105 N CA 1.002 54.036 53.050 -0.026 0.000 0.900 105 N CB 0.031 38.483 38.487 -0.059 0.000 0.961 105 N HN 0.419 nan 8.380 nan 0.000 0.443 106 A N 0.828 123.642 122.820 -0.010 0.000 2.178 106 A HA 0.244 4.564 4.320 -0.000 0.000 0.211 106 A C 0.892 178.482 177.584 0.010 0.000 1.157 106 A CA -0.240 51.791 52.037 -0.010 0.000 0.780 106 A CB -0.021 18.972 19.000 -0.012 0.000 0.828 106 A HN 0.108 nan 8.150 nan 0.000 0.476 107 V N 1.560 121.501 119.914 0.045 0.000 2.655 107 V HA 0.098 4.218 4.120 -0.000 0.000 0.300 107 V C 0.783 176.884 176.094 0.012 0.000 1.044 107 V CA -0.123 62.227 62.300 0.084 0.000 1.095 107 V CB 1.075 33.020 31.823 0.203 0.000 0.952 107 V HN 0.390 nan 8.190 nan 0.000 0.485 108 S N 3.125 118.814 115.700 -0.019 0.000 2.572 108 S HA 0.465 4.935 4.470 -0.000 0.000 0.279 108 S C 0.459 174.876 174.600 -0.307 0.000 1.341 108 S CA -0.193 57.939 58.200 -0.114 0.000 1.043 108 S CB 0.989 64.146 63.200 -0.073 0.000 0.887 108 S HN 1.071 nan 8.310 nan 0.000 0.516 109 A N 1.967 124.586 122.820 -0.336 0.000 2.407 109 A HA 0.728 5.048 4.320 -0.000 0.000 0.248 109 A C 0.933 178.250 177.584 -0.445 0.000 1.082 109 A CA 0.397 52.122 52.037 -0.520 0.000 0.785 109 A CB -0.262 18.562 19.000 -0.293 0.000 1.020 109 A HN 1.308 nan 8.150 nan 0.000 0.489 110 G N -0.400 108.038 108.800 -0.603 0.000 2.334 110 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 0.082 174.877 174.900 -0.174 0.000 1.327 110 G CA 0.529 45.507 45.100 -0.202 0.000 0.979 110 G HN 1.663 nan 8.290 nan 0.000 0.471 111 T N -2.226 112.355 114.554 0.044 0.000 3.266 111 T HA 0.510 4.860 4.350 -0.000 0.000 0.278 111 T C 0.875 175.721 174.700 0.243 0.000 1.010 111 T CA 0.997 63.213 62.100 0.192 0.000 0.909 111 T CB 0.702 69.672 68.868 0.169 0.000 1.122 111 T HN 1.129 nan 8.240 nan 0.000 0.536 112 S N 2.894 118.758 115.700 0.273 0.000 4.183 112 S HA 0.429 4.899 4.470 -0.000 0.000 0.195 112 S C 0.335 175.167 174.600 0.387 0.000 1.421 112 S CA -0.540 57.845 58.200 0.308 0.000 0.920 112 S CB -1.043 62.315 63.200 0.263 0.000 1.525 112 S HN 0.764 nan 8.310 nan 0.000 0.447 113 S N 0.792 116.660 115.700 0.279 0.000 2.667 113 S HA 0.430 4.900 4.470 -0.000 0.000 0.292 113 S C 1.079 175.712 174.600 0.056 0.000 1.126 113 S CA -0.277 57.984 58.200 0.102 0.000 0.881 113 S CB 1.043 64.277 63.200 0.057 0.000 1.132 113 S HN 0.430 nan 8.310 nan 0.000 0.492 114 T N -3.179 111.367 114.554 -0.014 0.000 3.072 114 T HA -0.025 4.325 4.350 -0.000 0.000 0.266 114 T C 1.078 175.786 174.700 0.014 0.000 1.127 114 T CA 0.841 62.933 62.100 -0.014 0.000 1.107 114 T CB -0.608 68.229 68.868 -0.052 0.000 0.910 114 T HN 0.624 nan 8.240 nan 0.000 0.513 115 c N 0.531 119.148 118.600 0.028 0.000 3.525 115 c HA 0.672 5.242 4.570 -0.000 0.000 0.289 115 c C 1.984 176.113 174.090 0.065 0.000 1.496 115 c CA -0.089 56.265 56.329 0.043 0.000 1.804 115 c CB -0.784 41.747 42.510 0.035 0.000 2.708 115 c HN 0.874 nan 8.230 nan 0.000 0.642 116 G N 1.614 110.466 108.800 0.087 0.000 2.159 116 G HA2 -0.215 3.744 3.960 -0.000 0.000 0.256 116 G HA3 -0.215 3.744 3.960 -0.000 0.000 0.256 116 G C 0.141 175.128 174.900 0.146 0.000 0.977 116 G CA 0.576 45.745 45.100 0.115 0.000 0.652 116 G HN 0.583 nan 8.290 nan 0.000 0.531 117 S N -0.164 115.622 115.700 0.144 0.000 2.564 117 S HA 0.444 4.914 4.470 -0.000 0.000 0.278 117 S C 0.043 174.821 174.600 0.296 0.000 1.333 117 S CA -0.421 57.885 58.200 0.177 0.000 1.048 117 S CB 0.982 64.252 63.200 0.116 0.000 0.900 117 S HN 0.564 nan 8.310 nan 0.000 0.505 118 Y N 4.098 124.497 120.300 0.165 0.000 2.336 118 Y HA 0.488 5.038 4.550 -0.000 0.000 0.331 118 Y C -0.464 175.582 175.900 0.245 0.000 1.211 118 Y CA -0.854 57.334 58.100 0.146 0.000 1.346 118 Y CB 0.238 38.719 38.460 0.035 0.000 1.271 118 Y HN 0.567 nan 8.280 nan 0.000 0.538 119 F N 3.375 122.730 119.950 -0.992 0.000 2.641 119 F HA 0.458 4.985 4.527 -0.000 0.000 0.308 119 F C -1.878 173.239 175.800 -1.140 0.000 1.105 119 F CA -1.454 55.973 58.000 -0.955 0.000 0.964 119 F CB 1.310 40.016 39.000 -0.490 0.000 1.294 119 F HN 0.410 nan 8.300 nan 0.000 0.442 120 N N 3.168 121.286 118.700 -0.969 0.000 2.648 120 N HA 0.409 5.148 4.740 -0.000 0.000 0.261 120 N C -2.573 172.611 175.510 -0.543 0.000 1.138 120 N CA -2.112 50.526 53.050 -0.687 0.000 0.804 120 N CB 2.143 40.376 38.487 -0.423 0.000 1.237 120 N HN 0.295 nan 8.380 nan 0.000 0.532 121 P HA -0.004 nan 4.420 nan 0.000 0.217 121 P C 1.295 178.478 177.300 -0.195 0.000 1.150 121 P CA 1.014 63.990 63.100 -0.208 0.000 0.832 121 P CB 0.283 31.971 31.700 -0.019 0.000 0.787 122 G N -0.008 108.686 108.800 -0.176 0.000 2.440 122 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 122 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 122 G C 1.513 176.332 174.900 -0.135 0.000 1.154 122 G CA 1.340 46.358 45.100 -0.136 0.000 0.767 122 G HN 0.436 nan 8.290 nan 0.000 0.552 123 S N -1.051 114.562 115.700 -0.145 0.000 2.556 123 S HA 0.271 4.741 4.470 -0.000 0.000 0.216 123 S C 1.110 175.642 174.600 -0.113 0.000 0.970 123 S CA 0.245 58.380 58.200 -0.107 0.000 0.912 123 S CB 0.259 63.420 63.200 -0.065 0.000 0.790 123 S HN 0.318 nan 8.310 nan 0.000 0.504 124 R N 1.199 121.583 120.500 -0.192 0.000 3.641 124 R HA -0.109 4.231 4.340 -0.000 0.000 0.286 124 R C -1.421 174.881 176.300 0.004 0.000 1.153 124 R CA 1.060 57.040 56.100 -0.199 0.000 0.775 124 R CB -2.329 27.815 30.300 -0.260 0.000 1.215 124 R HN 0.509 nan 8.270 nan 0.000 0.474 125 D N 0.060 120.350 120.400 -0.184 0.000 2.317 125 D HA 0.216 4.856 4.640 -0.000 0.000 0.234 125 D C -0.376 175.735 176.300 -0.315 0.000 1.112 125 D CA 0.075 54.039 54.000 -0.061 0.000 0.840 125 D CB 0.479 41.278 40.800 -0.002 0.000 1.078 125 D HN 0.006 nan 8.370 nan 0.000 0.486 126 F N 3.535 123.617 119.950 0.220 0.000 2.550 126 F HA 0.218 4.744 4.527 -0.000 0.000 0.348 126 F C -1.340 174.548 175.800 0.146 0.000 1.219 126 F CA -1.551 56.557 58.000 0.180 0.000 1.203 126 F CB 1.746 40.898 39.000 0.252 0.000 1.436 126 F HN 0.185 nan 8.300 nan 0.000 0.541 127 P HA -0.180 nan 4.420 nan 0.000 0.225 127 P C 1.270 178.652 177.300 0.137 0.000 1.148 127 P CA 1.137 64.353 63.100 0.194 0.000 0.779 127 P CB 0.341 32.168 31.700 0.212 0.000 0.780 128 A N -0.475 122.420 122.820 0.125 0.000 2.168 128 A HA 0.044 4.364 4.320 -0.000 0.000 0.215 128 A C 2.191 179.756 177.584 -0.031 0.000 1.152 128 A CA 0.817 52.886 52.037 0.053 0.000 0.716 128 A CB -1.012 18.017 19.000 0.049 0.000 0.794 128 A HN 0.093 nan 8.150 nan 0.000 0.465 129 V N 0.536 120.404 119.914 -0.076 0.000 2.326 129 V HA 0.039 4.159 4.120 -0.000 0.000 0.238 129 V C -1.512 174.505 176.094 -0.128 0.000 1.038 129 V CA 0.982 63.134 62.300 -0.247 0.000 1.032 129 V CB -0.998 30.401 31.823 -0.706 0.000 0.675 129 V HN 0.455 nan 8.190 nan 0.000 0.467 130 P HA 0.378 nan 4.420 nan 0.000 0.292 130 P C -1.930 175.479 177.300 0.182 0.000 1.283 130 P CA -0.073 63.080 63.100 0.088 0.000 0.835 130 P CB 1.358 33.145 31.700 0.146 0.000 1.017 131 Y N 0.082 120.577 120.300 0.325 0.000 2.462 131 Y HA 0.459 5.009 4.550 0.000 0.000 0.346 131 Y C 0.940 177.102 175.900 0.437 0.000 0.976 131 Y CA -0.565 57.758 58.100 0.371 0.000 1.044 131 Y CB 2.367 41.029 38.460 0.336 0.000 1.230 131 Y HN 0.484 nan 8.280 nan 0.000 0.455 132 S N -0.552 115.504 115.700 0.595 0.000 2.841 132 S HA 0.611 5.081 4.470 -0.000 0.000 0.318 132 S C 1.083 175.997 174.600 0.525 0.000 1.127 132 S CA -0.250 58.243 58.200 0.488 0.000 0.883 132 S CB 1.207 64.652 63.200 0.408 0.000 1.271 132 S HN 0.801 nan 8.310 nan 0.000 0.567 133 G N -0.538 108.438 108.800 0.293 0.000 2.470 133 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.220 133 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.220 133 G C 0.600 175.527 174.900 0.044 0.000 1.121 133 G CA 0.232 45.410 45.100 0.129 0.000 0.766 133 G HN 0.746 nan 8.290 nan 0.000 0.553 134 W N 0.643 122.060 121.300 0.195 0.000 2.800 134 W HA 0.207 4.867 4.660 0.001 0.000 0.249 134 W C 1.098 177.668 176.519 0.085 0.000 1.294 134 W CA 0.125 57.541 57.345 0.117 0.000 1.402 134 W CB 0.462 29.961 29.460 0.066 0.000 1.126 134 W HN 0.088 nan 8.180 nan 0.000 0.652 135 D N -1.108 119.428 120.400 0.228 0.000 2.340 135 D HA 0.099 4.739 4.640 -0.000 0.000 0.217 135 D C -0.285 175.698 176.300 -0.528 0.000 1.081 135 D CA 0.379 54.316 54.000 -0.105 0.000 0.842 135 D CB -0.078 40.630 40.800 -0.154 0.000 0.934 135 D HN 0.018 nan 8.370 nan 0.000 0.511 136 F N 0.230 120.187 119.950 0.011 0.000 2.575 136 F HA 0.319 4.846 4.527 0.000 0.000 0.330 136 F C 1.408 177.208 175.800 0.000 0.000 1.056 136 F CA -1.049 56.938 58.000 -0.021 0.000 0.964 136 F CB 0.862 39.851 39.000 -0.019 0.000 1.258 136 F HN -0.376 nan 8.300 nan 0.000 0.484 137 N N 0.891 119.710 118.700 0.199 0.000 2.362 137 N HA -0.039 4.701 4.740 -0.000 0.000 0.204 137 N C 0.771 176.338 175.510 0.095 0.000 1.166 137 N CA 0.334 53.459 53.050 0.125 0.000 0.831 137 N CB -0.302 38.255 38.487 0.116 0.000 1.008 137 N HN 0.557 nan 8.380 nan 0.000 0.472 138 D N 0.065 120.519 120.400 0.090 0.000 2.158 138 D HA -0.137 4.503 4.640 -0.000 0.000 0.197 138 D C 1.649 177.956 176.300 0.011 0.000 0.995 138 D CA 1.128 55.145 54.000 0.030 0.000 0.846 138 D CB 0.013 40.809 40.800 -0.006 0.000 0.941 138 D HN 0.356 nan 8.370 nan 0.000 0.456 139 G N 0.096 108.904 108.800 0.013 0.000 2.777 139 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.211 139 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.211 139 G C 1.532 176.450 174.900 0.030 0.000 1.149 139 G CA -0.079 45.027 45.100 0.010 0.000 0.785 139 G HN 0.171 nan 8.290 nan 0.000 0.536 140 K N -0.502 119.927 120.400 0.048 0.000 2.242 140 K HA 0.085 4.405 4.320 -0.000 0.000 0.200 140 K C 0.731 177.368 176.600 0.061 0.000 1.050 140 K CA -0.152 56.172 56.287 0.062 0.000 0.981 140 K CB 0.005 32.557 32.500 0.086 0.000 0.795 140 K HN 0.228 nan 8.250 nan 0.000 0.477 141 c N 2.190 120.820 118.600 0.051 0.000 2.632 141 c HA 0.184 4.754 4.570 -0.000 0.000 0.415 141 c C 0.732 174.835 174.090 0.022 0.000 1.332 141 c CA -0.099 56.253 56.329 0.037 0.000 1.874 141 c CB -0.249 42.276 42.510 0.023 0.000 2.596 141 c HN 0.373 nan 8.230 nan 0.000 0.590 142 K N 2.766 123.178 120.400 0.019 0.000 2.399 142 K HA 0.120 4.440 4.320 -0.000 0.000 0.204 142 K C 0.792 177.391 176.600 -0.001 0.000 1.023 142 K CA 0.012 56.306 56.287 0.011 0.000 1.127 142 K CB 0.360 32.871 32.500 0.018 0.000 0.856 142 K HN 0.898 nan 8.250 nan 0.000 0.514 143 T N -3.237 111.311 114.554 -0.009 0.000 2.913 143 T HA 0.235 4.585 4.350 -0.000 0.000 0.287 143 T C 1.418 176.107 174.700 -0.018 0.000 1.008 143 T CA -0.590 61.498 62.100 -0.019 0.000 1.067 143 T CB 1.773 70.621 68.868 -0.033 0.000 0.996 143 T HN 0.131 nan 8.240 nan 0.000 0.513 144 G N 0.577 109.366 108.800 -0.018 0.000 2.443 144 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.219 144 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.219 144 G C 1.611 176.498 174.900 -0.022 0.000 1.131 144 G CA 0.690 45.779 45.100 -0.017 0.000 0.775 144 G HN 0.921 nan 8.290 nan 0.000 0.547 145 S N -1.232 114.452 115.700 -0.026 0.000 2.486 145 S HA 0.369 4.839 4.470 -0.000 0.000 0.220 145 S C 1.970 176.550 174.600 -0.034 0.000 1.011 145 S CA 1.052 59.234 58.200 -0.030 0.000 0.921 145 S CB 0.139 63.319 63.200 -0.033 0.000 0.785 145 S HN 1.436 nan 8.310 nan 0.000 0.517 146 G N 0.842 109.623 108.800 -0.032 0.000 2.217 146 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 -0.364 174.512 174.900 -0.040 0.000 0.990 146 G CA 0.234 45.315 45.100 -0.031 0.000 0.627 146 G HN 0.562 nan 8.290 nan 0.000 0.522 147 D N -0.107 120.263 120.400 -0.051 0.000 2.385 147 D HA 0.597 5.237 4.640 -0.000 0.000 0.254 147 D C 0.930 177.178 176.300 -0.086 0.000 1.053 147 D CA -0.626 53.333 54.000 -0.069 0.000 0.992 147 D CB 0.830 41.588 40.800 -0.069 0.000 1.145 147 D HN 0.236 nan 8.370 nan 0.000 0.523 148 I N 1.281 121.779 120.570 -0.121 0.000 2.517 148 I HA 0.007 4.177 4.170 -0.000 0.000 0.285 148 I C 1.295 177.313 176.117 -0.165 0.000 1.106 148 I CA 0.531 61.713 61.300 -0.197 0.000 1.402 148 I CB 0.483 38.295 38.000 -0.313 0.000 1.399 148 I HN 0.300 nan 8.210 nan 0.000 0.535 149 E N 4.142 124.252 120.200 -0.149 0.000 2.364 149 E HA 0.113 4.463 4.350 -0.000 0.000 0.203 149 E C 0.335 176.900 176.600 -0.057 0.000 0.888 149 E CA 0.074 56.428 56.400 -0.077 0.000 0.989 149 E CB 0.607 30.276 29.700 -0.051 0.000 0.985 149 E HN 0.617 nan 8.360 nan 0.000 0.499 150 N N -0.420 118.211 118.700 -0.114 0.000 2.430 150 N HA 0.102 4.842 4.740 -0.000 0.000 0.290 150 N C -0.740 174.696 175.510 -0.122 0.000 1.063 150 N CA -0.189 52.832 53.050 -0.047 0.000 0.883 150 N CB 0.882 39.356 38.487 -0.021 0.000 1.465 150 N HN -0.082 nan 8.380 nan 0.000 0.493 151 Y N 2.343 122.632 120.300 -0.017 0.000 2.578 151 Y HA 0.104 4.653 4.550 -0.001 0.000 0.297 151 Y C 1.233 177.114 175.900 -0.031 0.000 1.176 151 Y CA 0.527 58.611 58.100 -0.027 0.000 1.315 151 Y CB 0.106 38.547 38.460 -0.031 0.000 1.031 151 Y HN 0.633 nan 8.280 nan 0.000 0.524 152 N N -0.711 118.037 118.700 0.080 0.000 2.422 152 N HA -0.072 4.668 4.740 -0.000 0.000 0.181 152 N C -0.205 175.314 175.510 0.016 0.000 1.080 152 N CA 0.283 53.360 53.050 0.045 0.000 0.893 152 N CB 0.287 38.796 38.487 0.037 0.000 0.973 152 N HN 0.064 nan 8.380 nan 0.000 0.456 153 D N 0.288 120.683 120.400 -0.009 0.000 2.443 153 D HA 0.296 4.936 4.640 -0.000 0.000 0.221 153 D C 0.630 176.903 176.300 -0.045 0.000 1.097 153 D CA -0.503 53.487 54.000 -0.017 0.000 0.865 153 D CB 1.007 41.792 40.800 -0.024 0.000 1.034 153 D HN 0.110 nan 8.370 nan 0.000 0.511 154 A N 3.077 125.880 122.820 -0.028 0.000 2.019 154 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 154 A C 1.983 179.473 177.584 -0.158 0.000 1.164 154 A CA 1.587 53.572 52.037 -0.087 0.000 0.644 154 A CB -0.384 18.589 19.000 -0.046 0.000 0.805 154 A HN 0.597 nan 8.150 nan 0.000 0.449 155 T N 0.483 115.035 114.554 -0.003 0.000 2.737 155 T HA -0.173 4.177 4.350 -0.000 0.000 0.265 155 T C 2.125 176.832 174.700 0.013 0.000 1.038 155 T CA 1.649 63.816 62.100 0.112 0.000 1.144 155 T CB -0.304 68.700 68.868 0.225 0.000 0.866 155 T HN 0.883 nan 8.240 nan 0.000 0.434 156 Q N 0.996 120.775 119.800 -0.034 0.000 2.230 156 Q HA -0.017 4.323 4.340 -0.000 0.000 0.202 156 Q C 2.102 178.026 176.000 -0.127 0.000 0.963 156 Q CA 1.048 56.813 55.803 -0.064 0.000 0.866 156 Q CB -0.659 28.034 28.738 -0.076 0.000 0.931 156 Q HN 0.324 nan 8.270 nan 0.000 0.452 157 V N 0.881 120.678 119.914 -0.194 0.000 2.594 157 V HA -0.206 3.914 4.120 -0.000 0.000 0.253 157 V C 2.054 178.082 176.094 -0.109 0.000 1.069 157 V CA 2.034 64.211 62.300 -0.203 0.000 1.082 157 V CB -0.474 31.200 31.823 -0.249 0.000 0.680 157 V HN 0.277 nan 8.190 nan 0.000 0.469 158 R N -0.207 120.147 120.500 -0.244 0.000 2.105 158 R HA 0.062 4.402 4.340 -0.000 0.000 0.214 158 R C 1.743 178.008 176.300 -0.058 0.000 1.091 158 R CA 0.867 56.786 56.100 -0.301 0.000 1.007 158 R CB -0.255 29.455 30.300 -0.982 0.000 0.912 158 R HN 0.421 nan 8.270 nan 0.000 0.450 159 D N -1.002 119.416 120.400 0.030 0.000 2.354 159 D HA 0.074 4.713 4.640 -0.000 0.000 0.209 159 D C 0.046 176.384 176.300 0.063 0.000 1.015 159 D CA 0.371 54.440 54.000 0.115 0.000 0.867 159 D CB 0.215 41.122 40.800 0.178 0.000 0.933 159 D HN 0.110 nan 8.370 nan 0.000 0.520 160 c N 0.555 119.164 118.600 0.015 0.000 2.407 160 c HA 0.493 5.063 4.570 -0.000 0.000 0.366 160 c C 0.645 174.719 174.090 -0.026 0.000 1.213 160 c CA -1.058 55.265 56.329 -0.009 0.000 2.011 160 c CB 1.403 43.887 42.510 -0.042 0.000 2.306 160 c HN 0.065 nan 8.230 nan 0.000 0.527 161 R N 1.106 121.580 120.500 -0.043 0.000 2.316 161 R HA 0.309 4.649 4.340 -0.000 0.000 0.314 161 R C -0.621 175.597 176.300 -0.136 0.000 1.069 161 R CA -0.435 55.621 56.100 -0.072 0.000 0.959 161 R CB 0.203 30.466 30.300 -0.060 0.000 0.987 161 R HN 0.482 nan 8.270 nan 0.000 0.446 162 L N 4.841 125.934 121.223 -0.216 0.000 2.407 162 L HA 0.001 4.341 4.340 -0.000 0.000 0.282 162 L C 0.313 177.039 176.870 -0.241 0.000 1.110 162 L CA 0.709 55.369 54.840 -0.299 0.000 0.863 162 L CB 0.175 41.906 42.059 -0.546 0.000 1.207 162 L HN 0.931 nan 8.230 nan 0.000 0.454 163 T N 1.679 116.133 114.554 -0.167 0.000 3.639 163 T HA -0.173 4.177 4.350 -0.000 0.000 0.386 163 T C 1.110 175.722 174.700 -0.146 0.000 0.764 163 T CA 1.116 63.127 62.100 -0.147 0.000 1.954 163 T CB -2.426 66.342 68.868 -0.166 0.000 1.755 163 T HN 2.327 nan 8.240 nan 0.000 0.715 164 G N -0.968 107.761 108.800 -0.120 0.000 2.205 164 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.261 164 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.261 164 G C 0.058 174.904 174.900 -0.089 0.000 0.980 164 G CA -0.063 44.981 45.100 -0.094 0.000 0.632 164 G HN 0.977 nan 8.290 nan 0.000 0.533 165 L N 1.612 122.755 121.223 -0.133 0.000 2.500 165 L HA 0.345 4.685 4.340 -0.000 0.000 0.272 165 L C 1.361 178.216 176.870 -0.025 0.000 1.149 165 L CA -0.198 54.571 54.840 -0.119 0.000 0.897 165 L CB 0.313 42.160 42.059 -0.353 0.000 1.178 165 L HN 0.234 nan 8.230 nan 0.000 0.473 166 L N 3.881 125.123 121.223 0.031 0.000 2.737 166 L HA -0.117 4.223 4.340 -0.000 0.000 0.275 166 L C 0.472 177.501 176.870 0.264 0.000 1.179 166 L CA 0.199 55.078 54.840 0.065 0.000 0.970 166 L CB -0.285 41.705 42.059 -0.115 0.000 1.268 166 L HN 0.557 nan 8.230 nan 0.000 0.485 167 D N 4.003 124.549 120.400 0.243 0.000 2.339 167 D HA 0.262 4.902 4.640 -0.000 0.000 0.256 167 D C -0.151 176.275 176.300 0.210 0.000 1.214 167 D CA -0.205 53.923 54.000 0.212 0.000 0.877 167 D CB 0.697 41.571 40.800 0.124 0.000 1.111 167 D HN 0.265 nan 8.370 nan 0.000 0.478 168 L N 2.707 123.941 121.223 0.019 0.000 2.416 168 L HA 0.267 4.607 4.340 -0.000 0.000 0.272 168 L C 0.644 177.431 176.870 -0.139 0.000 1.161 168 L CA -0.716 53.953 54.840 -0.285 0.000 0.845 168 L CB 0.883 42.721 42.059 -0.369 0.000 1.119 168 L HN 0.479 nan 8.230 nan 0.000 0.464 169 A N 5.526 128.235 122.820 -0.185 0.000 2.797 169 A HA 0.270 4.590 4.320 -0.000 0.000 0.296 169 A C 1.024 178.594 177.584 -0.022 0.000 1.580 169 A CA -0.314 51.699 52.037 -0.040 0.000 1.277 169 A CB -0.449 18.544 19.000 -0.010 0.000 1.101 169 A HN 0.835 nan 8.150 nan 0.000 0.562 170 L N 1.309 122.546 121.223 0.024 0.000 2.622 170 L HA -0.064 4.276 4.340 -0.000 0.000 0.233 170 L C 2.420 179.319 176.870 0.048 0.000 1.156 170 L CA 0.812 55.674 54.840 0.037 0.000 0.866 170 L CB -0.256 41.845 42.059 0.070 0.000 0.980 170 L HN 0.866 nan 8.230 nan 0.000 0.448 171 E N 1.221 121.449 120.200 0.048 0.000 2.299 171 E HA -0.074 4.276 4.350 -0.000 0.000 0.193 171 E C 0.351 176.966 176.600 0.025 0.000 0.998 171 E CA 0.203 56.615 56.400 0.021 0.000 0.851 171 E CB 0.100 29.795 29.700 -0.008 0.000 0.795 171 E HN 0.357 nan 8.360 nan 0.000 0.492 172 K N 1.557 121.983 120.400 0.043 0.000 2.322 172 K HA 0.021 4.341 4.320 -0.000 0.000 0.283 172 K C 0.194 176.835 176.600 0.069 0.000 1.042 172 K CA 0.231 56.560 56.287 0.070 0.000 0.958 172 K CB 1.009 33.575 32.500 0.110 0.000 0.984 172 K HN -0.063 nan 8.250 nan 0.000 0.473 173 D N 1.850 122.293 120.400 0.073 0.000 2.178 173 D HA -0.210 4.430 4.640 -0.000 0.000 0.202 173 D C 1.451 177.794 176.300 0.072 0.000 0.974 173 D CA 1.202 55.236 54.000 0.057 0.000 0.841 173 D CB 0.088 40.919 40.800 0.051 0.000 0.953 173 D HN 0.614 nan 8.370 nan 0.000 0.478 174 Y N 0.346 120.667 120.300 0.036 0.000 2.145 174 Y HA -0.172 4.378 4.550 -0.000 0.000 0.286 174 Y C 2.034 177.989 175.900 0.090 0.000 1.145 174 Y CA 1.387 59.521 58.100 0.057 0.000 1.148 174 Y CB -0.477 38.025 38.460 0.069 0.000 0.981 174 Y HN -0.086 nan 8.280 nan 0.000 0.507 175 V N 0.826 120.748 119.914 0.013 0.000 2.427 175 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 175 V C 2.370 178.432 176.094 -0.053 0.000 1.051 175 V CA 2.193 64.496 62.300 0.004 0.000 1.048 175 V CB -0.628 31.198 31.823 0.004 0.000 0.666 175 V HN 0.331 nan 8.190 nan 0.000 0.456 176 R N 0.015 120.484 120.500 -0.052 0.000 2.096 176 R HA -0.109 4.231 4.340 -0.000 0.000 0.235 176 R C 2.563 178.800 176.300 -0.106 0.000 1.127 176 R CA 1.662 57.724 56.100 -0.064 0.000 0.968 176 R CB -0.430 29.848 30.300 -0.036 0.000 0.861 176 R HN 0.448 nan 8.270 nan 0.000 0.440 177 S N 0.535 116.158 115.700 -0.128 0.000 2.383 177 S HA -0.035 4.435 4.470 -0.000 0.000 0.227 177 S C 1.663 176.146 174.600 -0.195 0.000 1.026 177 S CA 0.865 58.979 58.200 -0.143 0.000 0.981 177 S CB 0.055 63.182 63.200 -0.121 0.000 0.818 177 S HN 0.165 nan 8.310 nan 0.000 0.472 178 K N 1.188 121.424 120.400 -0.272 0.000 2.155 178 K HA 0.162 4.482 4.320 -0.000 0.000 0.203 178 K C 1.841 178.297 176.600 -0.240 0.000 1.052 178 K CA 0.761 56.891 56.287 -0.262 0.000 0.948 178 K CB -0.379 31.917 32.500 -0.341 0.000 0.728 178 K HN 0.398 nan 8.250 nan 0.000 0.448 179 I N 0.534 120.970 120.570 -0.222 0.000 2.406 179 I HA -0.177 3.993 4.170 -0.000 0.000 0.249 179 I C 2.271 178.226 176.117 -0.271 0.000 1.122 179 I CA 0.788 61.903 61.300 -0.308 0.000 1.431 179 I CB -0.204 37.682 38.000 -0.190 0.000 1.087 179 I HN -0.011 nan 8.210 nan 0.000 0.424 180 A N 0.107 122.795 122.820 -0.220 0.000 1.969 180 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 180 A C 2.293 179.748 177.584 -0.215 0.000 1.169 180 A CA 1.567 53.470 52.037 -0.223 0.000 0.635 180 A CB -0.524 18.377 19.000 -0.164 0.000 0.810 180 A HN 0.468 nan 8.150 nan 0.000 0.445 181 E N -1.369 118.730 120.200 -0.167 0.000 2.077 181 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 181 E C 1.825 178.375 176.600 -0.084 0.000 0.989 181 E CA 1.492 57.824 56.400 -0.113 0.000 0.800 181 E CB -0.317 29.329 29.700 -0.091 0.000 0.746 181 E HN 0.713 nan 8.360 nan 0.000 0.452 182 Y N 0.885 121.014 120.300 -0.285 0.000 2.133 182 Y HA -0.160 4.390 4.550 -0.000 0.000 0.287 182 Y C 2.085 177.876 175.900 -0.182 0.000 1.134 182 Y CA 1.895 59.825 58.100 -0.284 0.000 1.133 182 Y CB -0.370 37.701 38.460 -0.647 0.000 0.987 182 Y HN 0.004 nan 8.280 nan 0.000 0.502 183 M N 0.145 119.430 119.600 -0.524 0.000 2.229 183 M HA -0.207 4.273 4.480 -0.000 0.000 0.264 183 M C 1.670 177.814 176.300 -0.259 0.000 1.063 183 M CA 1.484 56.429 55.300 -0.593 0.000 1.114 183 M CB -0.336 31.782 32.600 -0.803 0.000 1.387 183 M HN 0.247 nan 8.290 nan 0.000 0.420 184 N N -0.531 118.002 118.700 -0.279 0.000 2.270 184 N HA -0.154 4.586 4.740 -0.000 0.000 0.181 184 N C 1.567 177.005 175.510 -0.119 0.000 1.016 184 N CA 1.164 54.006 53.050 -0.346 0.000 0.870 184 N CB -0.474 37.626 38.487 -0.645 0.000 0.979 184 N HN 0.423 nan 8.380 nan 0.000 0.431 185 H N 0.900 119.890 119.070 -0.134 0.000 2.353 185 H HA 0.085 4.641 4.556 -0.000 0.000 0.300 185 H C 1.957 177.279 175.328 -0.010 0.000 1.090 185 H CA 1.365 57.391 56.048 -0.037 0.000 1.327 185 H CB -0.207 29.543 29.762 -0.021 0.000 1.383 185 H HN 0.092 nan 8.280 nan 0.000 0.508 186 L N -0.570 120.616 121.223 -0.061 0.000 2.109 186 L HA -0.089 4.251 4.340 -0.000 0.000 0.207 186 L C 2.455 179.314 176.870 -0.018 0.000 1.086 186 L CA 0.964 55.780 54.840 -0.040 0.000 0.760 186 L CB -0.303 41.738 42.059 -0.029 0.000 0.910 186 L HN 0.298 nan 8.230 nan 0.000 0.437 187 I N 0.103 120.684 120.570 0.018 0.000 2.226 187 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 187 I C 1.958 178.104 176.117 0.049 0.000 1.100 187 I CA 1.246 62.552 61.300 0.011 0.000 1.374 187 I CB -0.321 37.705 38.000 0.043 0.000 1.057 187 I HN 0.264 nan 8.210 nan 0.000 0.413 188 D N 0.694 121.136 120.400 0.069 0.000 2.264 188 D HA -0.084 4.556 4.640 -0.000 0.000 0.208 188 D C 2.177 178.528 176.300 0.085 0.000 0.966 188 D CA 1.106 55.170 54.000 0.107 0.000 0.864 188 D CB -0.068 40.805 40.800 0.122 0.000 0.933 188 D HN 0.367 nan 8.370 nan 0.000 0.499 189 I N -0.393 120.182 120.570 0.008 0.000 2.439 189 I HA -0.049 4.121 4.170 -0.000 0.000 0.251 189 I C 1.664 177.831 176.117 0.083 0.000 1.139 189 I CA 1.184 62.491 61.300 0.012 0.000 1.438 189 I CB 0.180 38.153 38.000 -0.045 0.000 1.085 189 I HN 0.162 nan 8.210 nan 0.000 0.427 190 G N 0.508 109.340 108.800 0.054 0.000 2.321 190 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.174 190 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.174 190 G C 0.289 175.115 174.900 -0.122 0.000 1.008 190 G CA -0.061 45.060 45.100 0.035 0.000 0.739 190 G HN 0.201 nan 8.290 nan 0.000 0.502 191 V N -0.360 119.433 119.914 -0.202 0.000 2.740 191 V HA 0.709 4.829 4.120 -0.000 0.000 0.303 191 V C 1.324 177.168 176.094 -0.416 0.000 1.054 191 V CA 0.976 63.063 62.300 -0.355 0.000 1.106 191 V CB 1.347 32.925 31.823 -0.409 0.000 0.957 191 V HN 1.301 nan 8.190 nan 0.000 0.486 192 A N 3.267 125.780 122.820 -0.511 0.000 2.132 192 A HA 0.699 5.019 4.320 -0.000 0.000 0.213 192 A C 1.253 178.675 177.584 -0.270 0.000 1.154 192 A CA 0.837 52.578 52.037 -0.494 0.000 0.753 192 A CB -0.547 18.217 19.000 -0.394 0.000 0.826 192 A HN 2.046 nan 8.150 nan 0.000 0.469 193 G N -2.264 106.330 108.800 -0.343 0.000 2.340 193 G HA2 0.485 4.445 3.960 -0.000 0.000 0.299 193 G HA3 0.485 4.445 3.960 -0.000 0.000 0.299 193 G C -1.523 173.059 174.900 -0.530 0.000 1.291 193 G CA -0.731 44.299 45.100 -0.117 0.000 0.841 193 G HN 0.177 nan 8.290 nan 0.000 0.500 194 F N -0.541 119.430 119.950 0.035 0.000 2.613 194 F HA 0.715 5.242 4.527 -0.000 0.000 0.310 194 F C 0.253 175.666 175.800 -0.644 0.000 1.085 194 F CA -0.879 57.011 58.000 -0.185 0.000 0.945 194 F CB 2.547 41.434 39.000 -0.187 0.000 1.298 194 F HN 0.455 nan 8.300 nan 0.000 0.455 195 R N 2.831 123.032 120.500 -0.497 0.000 2.229 195 R HA 0.551 4.891 4.340 -0.000 0.000 0.332 195 R C -1.602 174.525 176.300 -0.287 0.000 0.989 195 R CA -0.423 55.150 56.100 -0.878 0.000 0.842 195 R CB 0.558 30.506 30.300 -0.587 0.000 1.119 195 R HN 0.774 nan 8.270 nan 0.000 0.456 196 L N 4.674 125.751 121.223 -0.243 0.000 2.282 196 L HA 0.184 4.524 4.340 -0.000 0.000 0.287 196 L C 0.076 176.932 176.870 -0.023 0.000 1.075 196 L CA -0.583 54.202 54.840 -0.093 0.000 0.839 196 L CB 0.872 42.882 42.059 -0.082 0.000 1.219 196 L HN 0.642 nan 8.230 nan 0.000 0.434 197 D N 3.483 123.912 120.400 0.050 0.000 2.443 197 D HA 0.253 4.893 4.640 -0.000 0.000 0.239 197 D C 0.882 177.265 176.300 0.139 0.000 1.136 197 D CA 0.597 54.680 54.000 0.137 0.000 0.879 197 D CB 0.965 41.915 40.800 0.250 0.000 1.195 197 D HN 0.716 nan 8.370 nan 0.000 0.443 198 A N 2.762 125.685 122.820 0.173 0.000 2.640 198 A HA -0.239 4.081 4.320 -0.000 0.000 0.300 198 A C 1.773 179.454 177.584 0.162 0.000 1.499 198 A CA 1.177 53.361 52.037 0.245 0.000 0.759 198 A CB -2.014 17.184 19.000 0.329 0.000 1.048 198 A HN 0.441 nan 8.150 nan 0.000 0.450 199 S N -0.731 114.975 115.700 0.010 0.000 2.419 199 S HA -0.134 4.336 4.470 -0.000 0.000 0.233 199 S C 1.808 176.279 174.600 -0.216 0.000 1.016 199 S CA 1.436 59.575 58.200 -0.101 0.000 0.974 199 S CB -0.107 62.956 63.200 -0.229 0.000 0.786 199 S HN 0.848 nan 8.310 nan 0.000 0.492 200 K N 0.764 120.989 120.400 -0.291 0.000 2.147 200 K HA -0.117 4.203 4.320 -0.000 0.000 0.205 200 K C 1.104 177.489 176.600 -0.358 0.000 1.049 200 K CA 1.123 57.197 56.287 -0.356 0.000 0.936 200 K CB -0.093 32.142 32.500 -0.442 0.000 0.722 200 K HN 0.474 nan 8.250 nan 0.000 0.446 201 H N -0.503 118.547 119.070 -0.033 0.000 2.533 201 H HA 0.168 4.724 4.556 -0.000 0.000 0.271 201 H C 0.032 175.315 175.328 -0.075 0.000 1.000 201 H CA 0.348 56.361 56.048 -0.058 0.000 1.149 201 H CB 0.079 29.838 29.762 -0.005 0.000 1.375 201 H HN 0.176 nan 8.280 nan 0.000 0.582 202 M N -0.248 119.367 119.600 0.025 0.000 2.530 202 M HA 0.192 4.672 4.480 -0.000 0.000 0.307 202 M C -1.050 175.282 176.300 0.054 0.000 1.161 202 M CA -0.831 54.504 55.300 0.058 0.000 0.903 202 M CB 2.393 35.075 32.600 0.137 0.000 1.711 202 M HN -0.005 nan 8.290 nan 0.000 0.451 203 W N 2.359 123.715 121.300 0.094 0.000 2.216 203 W HA 0.235 4.895 4.660 -0.000 0.000 0.326 203 W C -1.764 174.747 176.519 -0.013 0.000 1.319 203 W CA -0.927 56.432 57.345 0.022 0.000 1.213 203 W CB -0.100 29.357 29.460 -0.004 0.000 1.171 203 W HN 0.488 nan 8.180 nan 0.000 0.557 204 P HA -0.196 nan 4.420 nan 0.000 0.216 204 P C 1.671 178.994 177.300 0.037 0.000 1.150 204 P CA 2.300 65.335 63.100 -0.108 0.000 0.843 204 P CB 0.140 31.618 31.700 -0.370 0.000 0.787 205 G N -0.735 108.111 108.800 0.076 0.000 2.421 205 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.217 205 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.217 205 G C 1.233 176.168 174.900 0.059 0.000 1.143 205 G CA 0.580 45.707 45.100 0.044 0.000 0.784 205 G HN 0.173 nan 8.290 nan 0.000 0.541 206 D N 0.582 121.054 120.400 0.120 0.000 2.149 206 D HA -0.014 4.626 4.640 -0.000 0.000 0.201 206 D C 2.544 178.890 176.300 0.076 0.000 0.972 206 D CA 0.308 54.371 54.000 0.105 0.000 0.835 206 D CB -0.023 40.885 40.800 0.179 0.000 0.966 206 D HN 0.347 nan 8.370 nan 0.000 0.476 207 I N 0.562 121.191 120.570 0.098 0.000 2.252 207 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 207 I C 2.276 178.413 176.117 0.033 0.000 1.102 207 I CA 0.852 62.194 61.300 0.069 0.000 1.385 207 I CB -0.069 38.007 38.000 0.126 0.000 1.064 207 I HN -0.113 nan 8.210 nan 0.000 0.414 208 K N 1.650 122.075 120.400 0.042 0.000 2.103 208 K HA -0.129 4.191 4.320 -0.000 0.000 0.207 208 K C 1.980 178.583 176.600 0.005 0.000 1.048 208 K CA 1.709 58.010 56.287 0.023 0.000 0.930 208 K CB -0.364 32.153 32.500 0.028 0.000 0.716 208 K HN 0.304 nan 8.250 nan 0.000 0.444 209 A N 0.015 122.838 122.820 0.006 0.000 2.014 209 A HA -0.012 4.308 4.320 -0.000 0.000 0.218 209 A C 2.144 179.716 177.584 -0.021 0.000 1.163 209 A CA 1.260 53.294 52.037 -0.005 0.000 0.652 209 A CB -0.455 18.544 19.000 -0.001 0.000 0.808 209 A HN 0.323 nan 8.150 nan 0.000 0.449 210 I N -0.428 120.124 120.570 -0.031 0.000 2.333 210 I HA -0.162 4.008 4.170 -0.000 0.000 0.246 210 I C 2.125 178.191 176.117 -0.084 0.000 1.106 210 I CA 0.751 62.011 61.300 -0.068 0.000 1.411 210 I CB -0.199 37.749 38.000 -0.085 0.000 1.082 210 I HN 0.251 nan 8.210 nan 0.000 0.420 211 L N 0.220 121.404 121.223 -0.066 0.000 2.201 211 L HA -0.197 4.143 4.340 -0.000 0.000 0.212 211 L C 1.813 178.657 176.870 -0.044 0.000 1.105 211 L CA 0.982 55.782 54.840 -0.066 0.000 0.775 211 L CB -0.701 41.328 42.059 -0.049 0.000 0.913 211 L HN 0.256 nan 8.230 nan 0.000 0.440 212 D N 0.523 120.907 120.400 -0.028 0.000 2.264 212 D HA -0.126 4.514 4.640 -0.000 0.000 0.208 212 D C 1.867 178.162 176.300 -0.008 0.000 0.966 212 D CA 1.079 55.072 54.000 -0.012 0.000 0.864 212 D CB 0.086 40.882 40.800 -0.006 0.000 0.933 212 D HN 0.321 nan 8.370 nan 0.000 0.499 213 K N -0.342 120.042 120.400 -0.026 0.000 2.404 213 K HA 0.072 4.392 4.320 -0.000 0.000 0.194 213 K C 0.090 176.674 176.600 -0.027 0.000 1.023 213 K CA -0.302 55.972 56.287 -0.022 0.000 1.094 213 K CB 0.629 33.100 32.500 -0.048 0.000 0.841 213 K HN -0.024 nan 8.250 nan 0.000 0.523 214 L N 1.321 122.519 121.223 -0.042 0.000 2.395 214 L HA 0.130 4.470 4.340 -0.000 0.000 0.269 214 L C 0.487 177.403 176.870 0.076 0.000 1.133 214 L CA 0.087 54.893 54.840 -0.057 0.000 0.812 214 L CB 0.406 42.422 42.059 -0.072 0.000 1.125 214 L HN 0.134 nan 8.230 nan 0.000 0.452 215 H N 0.880 119.943 119.070 -0.012 0.000 2.534 215 H HA 0.230 4.786 4.556 0.000 0.000 0.364 215 H C -0.144 175.178 175.328 -0.011 0.000 1.328 215 H CA -0.767 55.278 56.048 -0.006 0.000 1.415 215 H CB 0.699 30.463 29.762 0.003 0.000 1.573 215 H HN 0.594 nan 8.280 nan 0.000 0.601 216 N N -0.093 118.684 118.700 0.128 0.000 2.408 216 N HA 0.151 4.891 4.740 -0.000 0.000 0.260 216 N C -0.494 175.037 175.510 0.034 0.000 1.242 216 N CA -0.621 52.455 53.050 0.044 0.000 0.959 216 N CB 0.821 39.323 38.487 0.025 0.000 1.201 216 N HN 0.200 nan 8.380 nan 0.000 0.511 217 L N 0.935 122.123 121.223 -0.057 0.000 2.467 217 L HA 0.063 4.403 4.340 -0.000 0.000 0.270 217 L C 0.722 177.652 176.870 0.100 0.000 1.205 217 L CA -0.172 54.588 54.840 -0.134 0.000 0.828 217 L CB 0.073 41.743 42.059 -0.647 0.000 1.101 217 L HN 0.582 nan 8.230 nan 0.000 0.479 218 N N 0.142 118.989 118.700 0.246 0.000 2.386 218 N HA -0.100 4.640 4.740 -0.000 0.000 0.273 218 N C 1.027 176.760 175.510 0.370 0.000 1.331 218 N CA 0.108 53.361 53.050 0.339 0.000 0.891 218 N CB 0.560 39.333 38.487 0.477 0.000 1.139 218 N HN 0.629 nan 8.380 nan 0.000 0.487 219 S N 2.329 118.131 115.700 0.170 0.000 2.595 219 S HA -0.050 4.420 4.470 -0.000 0.000 0.235 219 S C 1.058 175.659 174.600 0.000 0.000 0.974 219 S CA 0.244 58.507 58.200 0.103 0.000 0.942 219 S CB -0.058 63.169 63.200 0.046 0.000 0.766 219 S HN 0.624 nan 8.310 nan 0.000 0.536 220 N N -0.038 118.602 118.700 -0.099 0.000 2.416 220 N HA 0.069 4.809 4.740 -0.000 0.000 0.177 220 N C 0.510 175.742 175.510 -0.464 0.000 1.036 220 N CA 0.773 53.591 53.050 -0.388 0.000 0.901 220 N CB 0.032 38.075 38.487 -0.740 0.000 0.976 220 N HN 0.626 nan 8.380 nan 0.000 0.444 221 W N -0.560 120.658 121.300 -0.138 0.000 2.782 221 W HA 0.293 4.954 4.660 0.000 0.000 0.268 221 W C -0.214 175.980 176.519 -0.541 0.000 1.043 221 W CA -0.173 56.928 57.345 -0.406 0.000 1.387 221 W CB 0.204 29.255 29.460 -0.682 0.000 0.904 221 W HN -0.188 nan 8.180 nan 0.000 0.625 222 F N 2.014 122.074 119.950 0.183 0.000 2.522 222 F HA 0.482 5.009 4.527 -0.000 0.000 0.324 222 F C -1.670 174.159 175.800 0.050 0.000 1.077 222 F CA -2.522 55.535 58.000 0.095 0.000 0.944 222 F CB 0.460 39.508 39.000 0.080 0.000 1.175 222 F HN -0.445 nan 8.300 nan 0.000 0.468 223 P HA 0.154 nan 4.420 nan 0.000 0.272 223 P C -0.919 176.445 177.300 0.107 0.000 1.240 223 P CA -0.391 62.781 63.100 0.120 0.000 0.791 223 P CB 0.603 32.356 31.700 0.088 0.000 0.978 224 A N 0.717 123.575 122.820 0.064 0.000 2.524 224 A HA 0.422 4.742 4.320 -0.000 0.000 0.250 224 A C 1.391 178.998 177.584 0.039 0.000 1.078 224 A CA 0.701 52.765 52.037 0.046 0.000 0.761 224 A CB -1.501 17.515 19.000 0.026 0.000 1.012 224 A HN 0.908 nan 8.150 nan 0.000 0.500 225 G N 1.927 110.747 108.800 0.033 0.000 2.157 225 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.239 225 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.239 225 G C 0.366 175.277 174.900 0.018 0.000 0.982 225 G CA 0.197 45.311 45.100 0.023 0.000 0.650 225 G HN 1.168 nan 8.290 nan 0.000 0.527 226 S N 1.274 116.987 115.700 0.021 0.000 2.488 226 S HA 0.407 4.877 4.470 -0.000 0.000 0.278 226 S C 0.551 175.120 174.600 -0.052 0.000 1.259 226 S CA 0.103 58.297 58.200 -0.009 0.000 1.061 226 S CB 0.973 64.171 63.200 -0.003 0.000 0.910 226 S HN 0.468 nan 8.310 nan 0.000 0.491 227 K N 4.169 124.543 120.400 -0.043 0.000 2.118 227 K HA 0.353 4.672 4.320 -0.000 0.000 0.267 227 K C -2.411 174.157 176.600 -0.053 0.000 0.991 227 K CA -2.075 54.187 56.287 -0.041 0.000 0.916 227 K CB 0.447 32.928 32.500 -0.032 0.000 1.041 227 K HN 0.330 nan 8.250 nan 0.000 0.455 228 P HA -0.080 nan 4.420 nan 0.000 0.268 228 P C -0.689 176.683 177.300 0.119 0.000 1.205 228 P CA -0.131 62.976 63.100 0.012 0.000 0.771 228 P CB 0.344 32.104 31.700 0.100 0.000 0.858 229 F N 4.770 124.714 119.950 -0.010 0.000 2.506 229 F HA 0.214 4.741 4.527 0.000 0.000 0.371 229 F C -0.222 175.646 175.800 0.114 0.000 1.078 229 F CA -0.711 57.307 58.000 0.031 0.000 1.195 229 F CB -0.133 38.913 39.000 0.077 0.000 1.099 229 F HN 0.102 nan 8.300 nan 0.000 0.548 230 I N 8.880 129.330 120.570 -0.201 0.000 2.389 230 I HA 0.181 4.351 4.170 -0.000 0.000 0.288 230 I C -1.098 174.795 176.117 -0.375 0.000 0.999 230 I CA -0.821 60.333 61.300 -0.243 0.000 1.129 230 I CB 0.960 38.900 38.000 -0.101 0.000 1.288 230 I HN 0.538 nan 8.210 nan 0.000 0.444 231 Y N 3.458 123.443 120.300 -0.524 0.000 2.332 231 Y HA 0.672 5.222 4.550 -0.000 0.000 0.326 231 Y C -0.438 175.367 175.900 -0.158 0.000 0.978 231 Y CA -1.207 56.660 58.100 -0.388 0.000 1.205 231 Y CB 0.685 38.844 38.460 -0.502 0.000 1.131 231 Y HN 0.495 nan 8.280 nan 0.000 0.462 232 Q N 2.901 122.712 119.800 0.018 0.000 2.279 232 Q HA 0.152 4.492 4.340 -0.000 0.000 0.256 232 Q C -0.390 175.622 176.000 0.020 0.000 0.937 232 Q CA -0.528 55.263 55.803 -0.020 0.000 0.933 232 Q CB 1.563 30.291 28.738 -0.016 0.000 1.189 232 Q HN 0.683 nan 8.270 nan 0.000 0.417 233 E N 3.357 123.565 120.200 0.014 0.000 1.932 233 E HA 0.161 4.511 4.350 -0.000 0.000 0.275 233 E C -1.377 175.237 176.600 0.023 0.000 1.159 233 E CA -0.229 56.242 56.400 0.119 0.000 0.905 233 E CB 0.452 30.244 29.700 0.153 0.000 1.059 233 E HN 0.319 nan 8.360 nan 0.000 0.400 234 V N 7.013 126.949 119.914 0.036 0.000 2.407 234 V HA 0.316 4.436 4.120 -0.000 0.000 0.291 234 V C 0.228 176.347 176.094 0.042 0.000 1.018 234 V CA -0.700 61.530 62.300 -0.117 0.000 0.842 234 V CB 1.491 33.134 31.823 -0.300 0.000 0.996 234 V HN 0.554 nan 8.190 nan 0.000 0.426 235 I N 4.109 124.605 120.570 -0.124 0.000 2.281 235 I HA 0.338 4.507 4.170 -0.000 0.000 0.293 235 I C -0.440 175.594 176.117 -0.139 0.000 1.085 235 I CA 0.207 61.340 61.300 -0.277 0.000 1.257 235 I CB 0.559 38.217 38.000 -0.570 0.000 1.430 235 I HN 0.567 nan 8.210 nan 0.000 0.489 236 D N 7.254 127.645 120.400 -0.015 0.000 2.469 236 D HA 0.332 4.972 4.640 -0.000 0.000 0.251 236 D C 0.074 176.390 176.300 0.028 0.000 1.173 236 D CA -0.384 53.616 54.000 -0.000 0.000 0.882 236 D CB 1.294 42.114 40.800 0.033 0.000 1.129 236 D HN 0.397 nan 8.370 nan 0.000 0.549 237 L N 2.884 124.106 121.223 -0.002 0.000 2.700 237 L HA 0.493 4.833 4.340 -0.000 0.000 0.234 237 L C 1.115 178.003 176.870 0.030 0.000 1.156 237 L CA -0.024 54.829 54.840 0.022 0.000 0.946 237 L CB -0.304 41.755 42.059 0.001 0.000 1.216 237 L HN 0.656 nan 8.230 nan 0.000 0.493 238 G N -0.467 108.347 108.800 0.024 0.000 2.730 238 G HA2 0.108 4.068 3.960 -0.000 0.000 0.686 238 G HA3 0.108 4.068 3.960 -0.000 0.000 0.686 238 G C 0.518 175.423 174.900 0.009 0.000 1.343 238 G CA -0.382 44.733 45.100 0.024 0.000 0.826 238 G HN 0.555 nan 8.290 nan 0.000 0.582 239 G N -0.618 108.187 108.800 0.008 0.000 2.147 239 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.244 239 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.244 239 G C 0.139 175.043 174.900 0.006 0.000 1.005 239 G CA 1.604 46.707 45.100 0.005 0.000 0.713 239 G HN 1.197 nan 8.290 nan 0.000 0.515 240 E N -0.697 119.508 120.200 0.007 0.000 2.312 240 E HA 0.448 4.798 4.350 -0.000 0.000 0.267 240 E C -1.364 175.245 176.600 0.014 0.000 0.894 240 E CA -1.712 54.697 56.400 0.015 0.000 0.773 240 E CB 2.158 31.865 29.700 0.012 0.000 1.241 240 E HN 0.040 nan 8.360 nan 0.000 0.432 241 P HA -0.037 nan 4.420 nan 0.000 0.221 241 P C 0.231 177.535 177.300 0.007 0.000 1.150 241 P CA 0.960 64.067 63.100 0.012 0.000 0.800 241 P CB 0.464 32.172 31.700 0.013 0.000 0.787 242 I N 0.672 121.246 120.570 0.008 0.000 2.352 242 I HA 0.142 4.311 4.170 -0.000 0.000 0.290 242 I C 0.611 176.750 176.117 0.035 0.000 1.036 242 I CA -0.348 60.964 61.300 0.020 0.000 1.336 242 I CB 0.726 38.734 38.000 0.013 0.000 1.407 242 I HN -0.214 nan 8.210 nan 0.000 0.497 243 K N 3.493 123.919 120.400 0.043 0.000 2.259 243 K HA 0.297 4.617 4.320 -0.000 0.000 0.249 243 K C 0.868 177.516 176.600 0.079 0.000 0.942 243 K CA -0.552 55.750 56.287 0.025 0.000 0.816 243 K CB 1.855 34.337 32.500 -0.030 0.000 1.155 243 K HN 0.629 nan 8.250 nan 0.000 0.428 244 S N -0.442 115.289 115.700 0.051 0.000 2.474 244 S HA -0.157 4.313 4.470 -0.000 0.000 0.235 244 S C 1.670 176.195 174.600 -0.125 0.000 0.997 244 S CA 1.267 59.522 58.200 0.092 0.000 0.949 244 S CB -0.362 62.908 63.200 0.118 0.000 0.766 244 S HN 0.634 nan 8.310 nan 0.000 0.517 245 S N 1.674 117.098 115.700 -0.461 0.000 2.481 245 S HA -0.050 4.420 4.470 -0.000 0.000 0.231 245 S C 1.061 175.237 174.600 -0.706 0.000 0.996 245 S CA 0.700 58.163 58.200 -1.229 0.000 0.942 245 S CB -0.451 62.280 63.200 -0.781 0.000 0.768 245 S HN 0.410 nan 8.310 nan 0.000 0.520 246 D N 0.654 120.878 120.400 -0.294 0.000 2.312 246 D HA 0.005 4.645 4.640 -0.000 0.000 0.211 246 D C 0.508 176.601 176.300 -0.344 0.000 0.964 246 D CA 0.866 54.696 54.000 -0.282 0.000 0.877 246 D CB -0.252 40.353 40.800 -0.324 0.000 0.924 246 D HN 0.618 nan 8.370 nan 0.000 0.515 247 Y N -1.050 119.208 120.300 -0.071 0.000 2.458 247 Y HA 0.132 4.682 4.550 -0.000 0.000 0.256 247 Y C 1.454 177.515 175.900 0.270 0.000 1.159 247 Y CA -0.438 57.713 58.100 0.085 0.000 1.261 247 Y CB 0.021 38.535 38.460 0.091 0.000 1.119 247 Y HN -0.170 nan 8.280 nan 0.000 0.524 248 F N -0.036 120.041 119.950 0.212 0.000 2.269 248 F HA -0.073 4.454 4.527 0.000 0.000 0.301 248 F C 2.267 178.226 175.800 0.263 0.000 1.082 248 F CA 1.051 59.175 58.000 0.206 0.000 1.360 248 F CB -1.192 37.878 39.000 0.116 0.000 1.041 248 F HN 0.113 nan 8.300 nan 0.000 0.512 249 G N -0.814 108.215 108.800 0.381 0.000 2.744 249 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.211 249 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.211 249 G C 1.450 176.492 174.900 0.236 0.000 1.143 249 G CA 0.342 45.619 45.100 0.295 0.000 0.788 249 G HN 0.258 nan 8.290 nan 0.000 0.534 250 N N 0.051 118.891 118.700 0.232 0.000 2.407 250 N HA 0.248 4.988 4.740 -0.000 0.000 0.182 250 N C 1.077 176.600 175.510 0.022 0.000 1.079 250 N CA 0.992 54.110 53.050 0.114 0.000 0.882 250 N CB 1.244 39.819 38.487 0.147 0.000 1.106 250 N HN 0.407 nan 8.380 nan 0.000 0.461 251 G N -0.247 108.650 108.800 0.163 0.000 2.344 251 G HA2 0.182 4.142 3.960 -0.000 0.000 0.282 251 G HA3 0.182 4.142 3.960 -0.000 0.000 0.282 251 G C -1.361 173.741 174.900 0.336 0.000 1.281 251 G CA -0.875 44.269 45.100 0.073 0.000 0.877 251 G HN -0.079 nan 8.290 nan 0.000 0.494 252 R N -0.936 119.700 120.500 0.227 0.000 2.649 252 R HA 0.582 4.922 4.340 -0.000 0.000 0.270 252 R C 0.010 176.423 176.300 0.187 0.000 1.105 252 R CA -0.045 56.174 56.100 0.198 0.000 1.193 252 R CB 1.298 31.684 30.300 0.144 0.000 1.120 252 R HN 0.935 nan 8.270 nan 0.000 0.561 253 V N -2.406 117.627 119.914 0.197 0.000 2.823 253 V HA 0.417 4.537 4.120 -0.000 0.000 0.312 253 V C 0.059 176.257 176.094 0.173 0.000 1.072 253 V CA -1.106 61.317 62.300 0.206 0.000 0.937 253 V CB 1.785 33.779 31.823 0.285 0.000 1.013 253 V HN 0.906 nan 8.190 nan 0.000 0.430 254 T N -0.070 114.603 114.554 0.198 0.000 2.834 254 T HA 0.412 4.762 4.350 -0.000 0.000 0.298 254 T C -0.132 174.657 174.700 0.149 0.000 0.966 254 T CA -0.007 62.224 62.100 0.217 0.000 1.141 254 T CB 0.869 69.893 68.868 0.260 0.000 0.905 254 T HN 0.997 nan 8.240 nan 0.000 0.535 255 E N 2.590 122.762 120.200 -0.047 0.000 1.993 255 E HA 0.321 4.671 4.350 -0.000 0.000 0.271 255 E C -0.392 175.966 176.600 -0.404 0.000 1.008 255 E CA -1.017 55.289 56.400 -0.157 0.000 0.814 255 E CB -0.382 29.212 29.700 -0.178 0.000 1.098 255 E HN 0.675 nan 8.360 nan 0.000 0.407 256 F N 2.657 122.513 119.950 -0.156 0.000 2.456 256 F HA 0.038 4.565 4.527 0.000 0.000 0.298 256 F C 1.640 177.308 175.800 -0.220 0.000 1.104 256 F CA 0.705 58.612 58.000 -0.154 0.000 1.435 256 F CB 0.230 39.236 39.000 0.011 0.000 1.078 256 F HN 0.390 nan 8.300 nan 0.000 0.546 257 K N -1.081 119.228 120.400 -0.152 0.000 2.365 257 K HA -0.174 4.146 4.320 -0.000 0.000 0.199 257 K C 1.638 177.932 176.600 -0.509 0.000 1.045 257 K CA 0.837 56.982 56.287 -0.236 0.000 0.962 257 K CB -0.302 32.074 32.500 -0.207 0.000 0.759 257 K HN 0.275 nan 8.250 nan 0.000 0.469 258 Y N 1.394 121.144 120.300 -0.916 0.000 2.070 258 Y HA -0.180 4.370 4.550 -0.000 0.000 0.279 258 Y C 2.454 178.204 175.900 -0.249 0.000 1.134 258 Y CA 2.003 59.629 58.100 -0.790 0.000 1.113 258 Y CB -0.646 37.381 38.460 -0.722 0.000 0.981 258 Y HN 0.030 nan 8.280 nan 0.000 0.487 259 G N -0.605 108.116 108.800 -0.132 0.000 2.422 259 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.218 259 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.218 259 G C 1.725 176.599 174.900 -0.043 0.000 1.140 259 G CA 0.828 45.885 45.100 -0.072 0.000 0.775 259 G HN 0.611 nan 8.290 nan 0.000 0.545 260 A N 0.854 123.661 122.820 -0.023 0.000 1.873 260 A HA 0.049 4.369 4.320 -0.000 0.000 0.215 260 A C 2.363 179.960 177.584 0.022 0.000 1.186 260 A CA 1.745 53.794 52.037 0.019 0.000 0.616 260 A CB -0.224 18.814 19.000 0.062 0.000 0.823 260 A HN 0.178 nan 8.150 nan 0.000 0.442 261 K N -0.659 119.794 120.400 0.087 0.000 2.155 261 K HA 0.027 4.346 4.320 -0.000 0.000 0.203 261 K C 1.750 178.364 176.600 0.024 0.000 1.052 261 K CA 0.695 57.097 56.287 0.191 0.000 0.948 261 K CB -0.698 32.082 32.500 0.465 0.000 0.728 261 K HN 0.413 nan 8.250 nan 0.000 0.448 262 L N 0.672 121.841 121.223 -0.090 0.000 2.156 262 L HA 0.009 4.349 4.340 -0.000 0.000 0.208 262 L C 1.978 178.649 176.870 -0.331 0.000 1.095 262 L CA 1.698 56.299 54.840 -0.399 0.000 0.770 262 L CB -0.855 40.948 42.059 -0.426 0.000 0.914 262 L HN 0.199 nan 8.230 nan 0.000 0.439 263 G N -1.650 107.012 108.800 -0.230 0.000 2.404 263 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.215 263 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.215 263 G C 1.524 176.173 174.900 -0.419 0.000 1.174 263 G CA 1.201 46.129 45.100 -0.288 0.000 0.780 263 G HN 0.484 nan 8.290 nan 0.000 0.537 264 T N -0.785 113.583 114.554 -0.311 0.000 2.821 264 T HA -0.054 4.296 4.350 -0.000 0.000 0.267 264 T C 2.291 176.899 174.700 -0.154 0.000 1.046 264 T CA 1.338 63.286 62.100 -0.252 0.000 1.139 264 T CB -0.407 68.493 68.868 0.053 0.000 0.871 264 T HN 0.001 nan 8.240 nan 0.000 0.454 265 V N 1.421 121.241 119.914 -0.156 0.000 2.307 265 V HA -0.016 4.104 4.120 -0.000 0.000 0.245 265 V C 2.683 178.614 176.094 -0.272 0.000 1.045 265 V CA 1.541 63.730 62.300 -0.184 0.000 1.024 265 V CB -0.543 31.102 31.823 -0.298 0.000 0.651 265 V HN 0.480 nan 8.190 nan 0.000 0.449 266 I N -0.624 119.738 120.570 -0.347 0.000 2.546 266 I HA -0.148 4.022 4.170 -0.000 0.000 0.255 266 I C 2.488 178.462 176.117 -0.238 0.000 1.163 266 I CA 1.204 62.310 61.300 -0.325 0.000 1.457 266 I CB -0.256 37.529 38.000 -0.358 0.000 1.092 266 I HN 0.192 nan 8.210 nan 0.000 0.434 267 R N 0.908 121.241 120.500 -0.279 0.000 2.299 267 R HA 0.039 4.379 4.340 -0.000 0.000 0.197 267 R C 0.282 176.574 176.300 -0.013 0.000 0.971 267 R CA 0.137 56.100 56.100 -0.229 0.000 1.030 267 R CB 0.080 30.012 30.300 -0.613 0.000 0.932 267 R HN 0.155 nan 8.270 nan 0.000 0.477 268 K N -0.577 119.803 120.400 -0.033 0.000 3.117 268 K HA -0.157 4.163 4.320 -0.000 0.000 0.269 268 K C -1.082 175.659 176.600 0.235 0.000 1.098 268 K CA 0.327 56.647 56.287 0.055 0.000 0.785 268 K CB -1.059 31.448 32.500 0.011 0.000 1.242 268 K HN 0.136 nan 8.250 nan 0.000 0.491 269 W N 1.236 122.523 121.300 -0.022 0.000 2.190 269 W HA 0.126 4.786 4.660 0.000 0.000 0.330 269 W C 1.068 177.597 176.519 0.016 0.000 1.299 269 W CA -0.006 57.338 57.345 -0.002 0.000 1.215 269 W CB -0.321 29.142 29.460 0.004 0.000 1.147 269 W HN 0.259 nan 8.180 nan 0.000 0.563 270 N N 0.735 119.537 118.700 0.170 0.000 2.714 270 N HA -0.194 4.546 4.740 -0.000 0.000 0.250 270 N C 0.841 176.415 175.510 0.108 0.000 1.117 270 N CA 1.200 54.311 53.050 0.102 0.000 0.719 270 N CB -1.218 37.335 38.487 0.110 0.000 1.081 270 N HN 0.941 nan 8.380 nan 0.000 0.557 271 G N -1.231 107.631 108.800 0.102 0.000 2.184 271 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.264 271 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.264 271 G C -0.107 174.851 174.900 0.096 0.000 0.975 271 G CA 0.488 45.641 45.100 0.088 0.000 0.642 271 G HN 0.594 nan 8.290 nan 0.000 0.536 272 E N 0.834 121.112 120.200 0.129 0.000 2.392 272 E HA 0.421 4.771 4.350 -0.000 0.000 0.264 272 E C 0.658 177.184 176.600 -0.125 0.000 1.024 272 E CA 0.577 57.048 56.400 0.119 0.000 0.903 272 E CB 0.422 30.243 29.700 0.202 0.000 0.963 272 E HN 0.664 nan 8.360 nan 0.000 0.432 273 K N 1.843 121.982 120.400 -0.435 0.000 2.480 273 K HA 0.340 4.660 4.320 -0.000 0.000 0.258 273 K C 0.390 176.731 176.600 -0.431 0.000 0.990 273 K CA -0.856 55.154 56.287 -0.462 0.000 0.857 273 K CB 1.035 33.225 32.500 -0.517 0.000 1.384 273 K HN 0.339 nan 8.250 nan 0.000 0.446 274 M N 1.190 120.582 119.600 -0.347 0.000 2.446 274 M HA -0.137 4.343 4.480 -0.000 0.000 0.263 274 M C 1.725 177.960 176.300 -0.108 0.000 1.066 274 M CA 1.701 56.806 55.300 -0.324 0.000 1.087 274 M CB -0.318 32.052 32.600 -0.383 0.000 1.406 274 M HN 0.855 nan 8.290 nan 0.000 0.459 275 S N -0.473 115.169 115.700 -0.096 0.000 2.474 275 S HA -0.127 4.343 4.470 -0.000 0.000 0.235 275 S C 1.438 176.215 174.600 0.294 0.000 0.997 275 S CA 0.668 58.962 58.200 0.156 0.000 0.949 275 S CB -0.563 62.663 63.200 0.043 0.000 0.766 275 S HN 0.440 nan 8.310 nan 0.000 0.517 276 Y N 1.569 121.942 120.300 0.121 0.000 2.561 276 Y HA 0.364 4.914 4.550 -0.000 0.000 0.291 276 Y C 1.665 177.718 175.900 0.255 0.000 1.141 276 Y CA -0.834 57.365 58.100 0.165 0.000 1.303 276 Y CB -0.745 37.841 38.460 0.209 0.000 1.015 276 Y HN 0.299 nan 8.280 nan 0.000 0.547 277 L N -0.107 121.219 121.223 0.173 0.000 2.650 277 L HA -0.064 4.276 4.340 -0.000 0.000 0.235 277 L C 2.294 178.997 176.870 -0.278 0.000 1.149 277 L CA 0.492 55.255 54.840 -0.128 0.000 0.887 277 L CB -0.302 41.442 42.059 -0.525 0.000 1.021 277 L HN 0.090 nan 8.230 nan 0.000 0.441 278 K N 1.782 121.900 120.400 -0.470 0.000 2.063 278 K HA -0.181 4.139 4.320 -0.000 0.000 0.208 278 K C 1.199 177.517 176.600 -0.470 0.000 1.048 278 K CA 1.732 57.424 56.287 -0.993 0.000 0.928 278 K CB 0.083 32.169 32.500 -0.690 0.000 0.713 278 K HN 0.428 nan 8.250 nan 0.000 0.442 279 N N -0.270 118.339 118.700 -0.150 0.000 2.380 279 N HA -0.081 4.659 4.740 -0.000 0.000 0.255 279 N C -0.636 174.870 175.510 -0.007 0.000 1.158 279 N CA -0.470 52.534 53.050 -0.077 0.000 0.878 279 N CB -0.558 37.911 38.487 -0.030 0.000 1.138 279 N HN 0.243 nan 8.380 nan 0.000 0.509 280 W N 1.423 122.466 121.300 -0.428 0.000 2.295 280 W HA 0.325 4.984 4.660 -0.000 0.000 0.335 280 W C 0.456 176.554 176.519 -0.702 0.000 1.351 280 W CA 1.938 58.794 57.345 -0.816 0.000 1.273 280 W CB 0.376 29.295 29.460 -0.902 0.000 1.214 280 W HN 0.454 nan 8.180 nan 0.000 0.563 281 G N 4.221 112.239 108.800 -1.303 0.000 2.254 281 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.193 281 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.193 281 G C 0.340 174.719 174.900 -0.869 0.000 1.233 281 G CA 0.053 44.413 45.100 -1.233 0.000 1.290 281 G HN 0.427 nan 8.290 nan 0.000 0.517 282 E N 0.865 120.862 120.200 -0.339 0.000 2.153 282 E HA 0.099 4.449 4.350 -0.000 0.000 0.194 282 E C 2.457 178.948 176.600 -0.181 0.000 0.988 282 E CA 1.562 57.879 56.400 -0.139 0.000 0.811 282 E CB -0.495 29.206 29.700 0.002 0.000 0.746 282 E HN 0.711 nan 8.360 nan 0.000 0.466 283 G N -0.531 108.156 108.800 -0.189 0.000 2.498 283 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.219 283 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.219 283 G C 0.461 175.250 174.900 -0.186 0.000 1.119 283 G CA 0.237 45.255 45.100 -0.136 0.000 0.766 283 G HN 0.252 nan 8.290 nan 0.000 0.552 284 W N -0.219 120.680 121.300 -0.667 0.000 3.316 284 W HA 0.442 5.101 4.660 -0.000 0.000 0.327 284 W C 1.590 177.752 176.519 -0.594 0.000 1.232 284 W CA -0.276 56.602 57.345 -0.778 0.000 1.805 284 W CB 0.157 28.776 29.460 -1.400 0.000 1.090 284 W HN 0.279 nan 8.180 nan 0.000 0.654 285 G N -0.425 108.256 108.800 -0.199 0.000 2.132 285 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.234 285 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.234 285 G C -0.037 174.989 174.900 0.210 0.000 0.989 285 G CA -0.538 44.562 45.100 0.000 0.000 0.676 285 G HN -0.013 nan 8.290 nan 0.000 0.522 286 F N 0.270 120.181 119.950 -0.064 0.000 2.370 286 F HA 0.628 5.154 4.527 -0.000 0.000 0.319 286 F C 1.417 177.274 175.800 0.094 0.000 1.129 286 F CA -1.466 56.507 58.000 -0.046 0.000 1.109 286 F CB 0.499 39.331 39.000 -0.279 0.000 1.262 286 F HN 0.328 nan 8.300 nan 0.000 0.534 287 V N -0.235 119.920 119.914 0.402 0.000 3.096 287 V HA 0.268 4.388 4.120 -0.000 0.000 0.306 287 V C -2.519 173.766 176.094 0.317 0.000 1.088 287 V CA -1.738 60.796 62.300 0.390 0.000 1.129 287 V CB -0.322 31.756 31.823 0.426 0.000 1.014 287 V HN 0.499 nan 8.190 nan 0.000 0.486 288 P HA 0.099 nan 4.420 nan 0.000 0.266 288 P C 1.036 178.287 177.300 -0.082 0.000 1.195 288 P CA 0.531 63.657 63.100 0.044 0.000 0.768 288 P CB 0.825 32.469 31.700 -0.092 0.000 0.838 289 S N 2.498 118.136 115.700 -0.103 0.000 2.389 289 S HA -0.232 4.238 4.470 -0.000 0.000 0.231 289 S C 1.351 175.750 174.600 -0.335 0.000 1.052 289 S CA 2.178 60.125 58.200 -0.423 0.000 1.053 289 S CB -0.936 62.121 63.200 -0.239 0.000 0.886 289 S HN 0.659 nan 8.310 nan 0.000 0.456 290 D N -0.474 119.784 120.400 -0.236 0.000 2.378 290 D HA -0.040 4.600 4.640 -0.000 0.000 0.227 290 D C 1.341 177.498 176.300 -0.238 0.000 1.012 290 D CA 0.365 54.236 54.000 -0.215 0.000 0.905 290 D CB -0.234 40.443 40.800 -0.206 0.000 0.895 290 D HN 0.287 nan 8.370 nan 0.000 0.532 291 R N -0.181 120.143 120.500 -0.293 0.000 2.535 291 R HA 0.443 4.783 4.340 -0.000 0.000 0.323 291 R C -0.047 176.181 176.300 -0.120 0.000 0.979 291 R CA -0.205 55.725 56.100 -0.284 0.000 1.120 291 R CB 0.735 30.582 30.300 -0.755 0.000 1.306 291 R HN 0.174 nan 8.270 nan 0.000 0.540 292 A N 1.584 124.304 122.820 -0.165 0.000 2.304 292 A HA 0.538 4.858 4.320 -0.000 0.000 0.323 292 A C -0.635 176.881 177.584 -0.112 0.000 1.195 292 A CA -0.478 51.467 52.037 -0.153 0.000 0.826 292 A CB 0.976 19.766 19.000 -0.350 0.000 1.184 292 A HN 0.126 nan 8.150 nan 0.000 0.496 293 L N 5.258 126.453 121.223 -0.046 0.000 2.294 293 L HA 0.604 4.944 4.340 -0.000 0.000 0.283 293 L C -0.472 176.358 176.870 -0.067 0.000 1.015 293 L CA -0.392 54.439 54.840 -0.015 0.000 0.831 293 L CB 0.911 42.954 42.059 -0.028 0.000 1.217 293 L HN 0.654 nan 8.230 nan 0.000 0.420 294 V N 3.317 123.098 119.914 -0.221 0.000 2.732 294 V HA 0.808 4.928 4.120 -0.000 0.000 0.310 294 V C -0.643 175.318 176.094 -0.222 0.000 1.053 294 V CA -0.555 61.435 62.300 -0.517 0.000 0.957 294 V CB 1.645 32.819 31.823 -1.082 0.000 1.018 294 V HN 0.688 nan 8.190 nan 0.000 0.452 295 F N 0.222 119.997 119.950 -0.291 0.000 2.719 295 F HA 0.770 5.297 4.527 -0.000 0.000 0.309 295 F C -0.005 175.827 175.800 0.053 0.000 1.138 295 F CA -0.950 56.983 58.000 -0.113 0.000 0.943 295 F CB 0.803 39.722 39.000 -0.135 0.000 1.304 295 F HN 0.232 nan 8.300 nan 0.000 0.445 296 V N -0.013 120.030 119.914 0.215 0.000 2.426 296 V HA 0.062 4.182 4.120 -0.000 0.000 0.242 296 V C 0.072 176.331 176.094 0.275 0.000 1.036 296 V CA 1.839 64.257 62.300 0.197 0.000 1.044 296 V CB -0.513 31.415 31.823 0.176 0.000 0.688 296 V HN 0.914 nan 8.190 nan 0.000 0.462 297 D N -0.311 120.334 120.400 0.409 0.000 2.570 297 D HA 0.308 4.948 4.640 -0.000 0.000 0.244 297 D C -0.995 175.505 176.300 0.332 0.000 1.178 297 D CA -0.626 53.594 54.000 0.367 0.000 0.881 297 D CB 1.786 42.743 40.800 0.262 0.000 1.453 297 D HN 0.278 nan 8.370 nan 0.000 0.447 298 N N -1.590 117.205 118.700 0.158 0.000 2.966 298 N HA 0.092 4.832 4.740 -0.000 0.000 0.314 298 N C 1.230 176.647 175.510 -0.156 0.000 1.397 298 N CA -0.492 52.511 53.050 -0.077 0.000 0.776 298 N CB 0.307 38.569 38.487 -0.375 0.000 1.576 298 N HN 0.612 nan 8.380 nan 0.000 0.592 299 H N -1.124 117.755 119.070 -0.319 0.000 2.457 299 H HA -0.055 4.501 4.556 -0.000 0.000 0.297 299 H C -0.193 174.729 175.328 -0.677 0.000 1.092 299 H CA 1.449 57.043 56.048 -0.757 0.000 1.309 299 H CB -0.101 28.952 29.762 -1.181 0.000 1.382 299 H HN 0.472 nan 8.280 nan 0.000 0.535 300 D N 1.502 121.379 120.400 -0.873 0.000 2.113 300 D HA -0.134 4.505 4.640 -0.000 0.000 0.206 300 D C 2.039 178.245 176.300 -0.157 0.000 0.979 300 D CA 1.530 55.231 54.000 -0.498 0.000 0.862 300 D CB -0.422 40.163 40.800 -0.359 0.000 1.013 300 D HN 0.578 nan 8.370 nan 0.000 0.455 301 N N 1.173 119.857 118.700 -0.026 0.000 2.573 301 N HA -0.171 4.569 4.740 -0.000 0.000 0.187 301 N C 1.391 176.961 175.510 0.100 0.000 1.107 301 N CA 0.779 53.883 53.050 0.090 0.000 0.918 301 N CB -0.727 37.873 38.487 0.188 0.000 0.966 301 N HN 0.398 nan 8.380 nan 0.000 0.448 302 Q N 0.420 120.249 119.800 0.048 0.000 2.435 302 Q HA -0.033 4.307 4.340 -0.000 0.000 0.207 302 Q C 0.939 177.094 176.000 0.258 0.000 0.956 302 Q CA 0.662 56.547 55.803 0.137 0.000 0.917 302 Q CB -0.092 28.723 28.738 0.128 0.000 0.997 302 Q HN 0.620 nan 8.270 nan 0.000 0.497 303 R N -0.987 119.585 120.500 0.120 0.000 2.600 303 R HA 0.406 4.746 4.340 -0.000 0.000 0.392 303 R C 0.473 176.926 176.300 0.256 0.000 1.032 303 R CA 0.026 56.240 56.100 0.189 0.000 1.139 303 R CB 0.392 30.558 30.300 -0.223 0.000 1.400 303 R HN 0.165 nan 8.270 nan 0.000 0.566 304 G N 1.387 110.314 108.800 0.211 0.000 2.221 304 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.265 304 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.265 304 G C 0.256 175.248 174.900 0.153 0.000 1.041 304 G CA 0.472 45.681 45.100 0.183 0.000 0.807 304 G HN 0.628 nan 8.290 nan 0.000 0.502 305 H N -0.996 118.108 119.070 0.057 0.000 2.622 305 H HA 0.233 4.790 4.556 0.000 0.000 0.269 305 H C 2.089 177.414 175.328 -0.005 0.000 0.977 305 H CA 0.960 57.053 56.048 0.074 0.000 1.179 305 H CB 0.785 30.679 29.762 0.221 0.000 1.458 305 H HN 0.487 nan 8.280 nan 0.000 0.531 306 G N 0.451 109.277 108.800 0.043 0.000 2.583 306 G HA2 0.528 4.488 3.960 -0.000 0.000 0.214 306 G HA3 0.528 4.488 3.960 -0.000 0.000 0.214 306 G C -0.583 174.242 174.900 -0.125 0.000 2.072 306 G CA 0.534 45.587 45.100 -0.078 0.000 0.745 306 G HN 0.316 nan 8.290 nan 0.000 0.762 307 A N -2.860 119.890 122.820 -0.118 0.000 2.594 307 A HA 0.665 4.985 4.320 -0.000 0.000 0.296 307 A C 0.170 177.775 177.584 0.035 0.000 1.061 307 A CA 0.432 52.413 52.037 -0.093 0.000 0.689 307 A CB 0.853 19.727 19.000 -0.210 0.000 1.280 307 A HN 2.143 nan 8.150 nan 0.000 0.406 308 G N -0.200 108.633 108.800 0.054 0.000 2.901 308 G HA2 0.549 4.509 3.960 -0.000 0.000 0.194 308 G HA3 0.549 4.509 3.960 -0.000 0.000 0.194 308 G C 1.667 176.622 174.900 0.091 0.000 1.020 308 G CA 1.286 46.444 45.100 0.097 0.000 0.787 308 G HN 3.000 nan 8.290 nan 0.000 0.477 309 G N 0.255 109.109 108.800 0.090 0.000 2.539 309 G HA2 0.215 4.175 3.960 -0.000 0.000 0.256 309 G HA3 0.215 4.175 3.960 -0.000 0.000 0.256 309 G C 1.219 176.201 174.900 0.138 0.000 1.233 309 G CA 1.894 47.064 45.100 0.115 0.000 0.936 309 G HN 1.859 nan 8.290 nan 0.000 0.571 310 A N -0.244 122.694 122.820 0.198 0.000 2.235 310 A HA 0.405 4.725 4.320 -0.000 0.000 0.208 310 A C 2.532 180.181 177.584 0.108 0.000 1.172 310 A CA 2.358 54.533 52.037 0.231 0.000 0.786 310 A CB -0.618 18.584 19.000 0.338 0.000 0.804 310 A HN 2.157 nan 8.150 nan 0.000 0.479 311 S N -0.216 115.445 115.700 -0.064 0.000 2.461 311 S HA 0.083 4.553 4.470 -0.000 0.000 0.228 311 S C 0.785 175.212 174.600 -0.287 0.000 1.005 311 S CA -0.115 57.785 58.200 -0.500 0.000 0.942 311 S CB -0.417 62.539 63.200 -0.406 0.000 0.776 311 S HN 0.276 nan 8.310 nan 0.000 0.514 312 I N 3.131 123.652 120.570 -0.082 0.000 2.741 312 I HA 0.072 4.242 4.170 -0.000 0.000 0.288 312 I C 0.206 176.327 176.117 0.007 0.000 1.192 312 I CA 0.083 61.384 61.300 0.002 0.000 1.426 312 I CB -0.585 37.467 38.000 0.086 0.000 1.367 312 I HN 0.338 nan 8.210 nan 0.000 0.563 313 L N 7.342 128.594 121.223 0.047 0.000 2.292 313 L HA 0.377 4.717 4.340 -0.000 0.000 0.284 313 L C 0.707 177.647 176.870 0.116 0.000 1.065 313 L CA -0.215 54.690 54.840 0.109 0.000 0.806 313 L CB 1.336 43.506 42.059 0.186 0.000 1.175 313 L HN 0.754 nan 8.230 nan 0.000 0.431 314 T N -1.550 112.930 114.554 -0.125 0.000 2.831 314 T HA 0.360 4.710 4.350 -0.000 0.000 0.287 314 T C 0.860 175.069 174.700 -0.818 0.000 1.070 314 T CA -0.663 61.130 62.100 -0.511 0.000 1.010 314 T CB 0.866 69.602 68.868 -0.220 0.000 1.264 314 T HN 0.407 nan 8.240 nan 0.000 0.532 315 F N -1.259 118.205 119.950 -0.810 0.000 2.307 315 F HA 0.147 4.675 4.527 0.000 0.000 0.301 315 F C 1.655 177.417 175.800 -0.062 0.000 1.076 315 F CA 0.046 57.800 58.000 -0.411 0.000 1.383 315 F CB -1.072 37.722 39.000 -0.343 0.000 1.055 315 F HN 0.555 nan 8.300 nan 0.000 0.526 316 W N 1.444 122.337 121.300 -0.679 0.000 2.402 316 W HA -0.081 4.579 4.660 0.001 0.000 0.286 316 W C 0.897 177.337 176.519 -0.132 0.000 1.221 316 W CA 0.820 57.920 57.345 -0.409 0.000 1.257 316 W CB -0.193 28.948 29.460 -0.532 0.000 1.120 316 W HN -0.041 nan 8.180 nan 0.000 0.551 317 D N 0.161 120.627 120.400 0.109 0.000 3.071 317 D HA 0.226 4.866 4.640 -0.000 0.000 0.259 317 D C 1.599 178.027 176.300 0.214 0.000 1.331 317 D CA 0.360 54.437 54.000 0.128 0.000 0.861 317 D CB -0.034 40.816 40.800 0.084 0.000 1.059 317 D HN 0.029 nan 8.370 nan 0.000 0.486 318 A N 1.329 124.309 122.820 0.267 0.000 1.916 318 A HA -0.351 3.969 4.320 -0.000 0.000 0.224 318 A C 2.187 179.987 177.584 0.360 0.000 1.366 318 A CA 1.919 54.190 52.037 0.390 0.000 0.692 318 A CB -0.506 18.635 19.000 0.236 0.000 0.841 318 A HN 0.326 nan 8.150 nan 0.000 0.480 319 R N -0.730 119.903 120.500 0.222 0.000 2.073 319 R HA -0.038 4.302 4.340 -0.000 0.000 0.234 319 R C 2.122 178.529 176.300 0.177 0.000 1.134 319 R CA 1.690 57.902 56.100 0.187 0.000 0.952 319 R CB -0.340 30.033 30.300 0.122 0.000 0.850 319 R HN 0.591 nan 8.270 nan 0.000 0.433 320 L N -0.750 120.558 121.223 0.142 0.000 2.240 320 L HA -0.125 4.215 4.340 -0.000 0.000 0.211 320 L C 2.179 179.110 176.870 0.102 0.000 1.106 320 L CA 0.632 55.514 54.840 0.070 0.000 0.793 320 L CB -0.448 41.625 42.059 0.024 0.000 0.927 320 L HN 0.260 nan 8.230 nan 0.000 0.446 321 Y N 1.396 121.741 120.300 0.075 0.000 2.200 321 Y HA -0.212 4.338 4.550 0.000 0.000 0.290 321 Y C 2.477 178.448 175.900 0.118 0.000 1.137 321 Y CA 1.445 59.603 58.100 0.097 0.000 1.163 321 Y CB -0.071 38.495 38.460 0.176 0.000 0.988 321 Y HN -0.014 nan 8.280 nan 0.000 0.518 322 K N -0.564 119.960 120.400 0.207 0.000 2.147 322 K HA -0.179 4.141 4.320 -0.000 0.000 0.205 322 K C 2.114 178.683 176.600 -0.053 0.000 1.049 322 K CA 1.749 58.152 56.287 0.194 0.000 0.936 322 K CB -0.199 32.578 32.500 0.462 0.000 0.722 322 K HN 0.395 nan 8.250 nan 0.000 0.446 323 M N 0.053 119.509 119.600 -0.239 0.000 2.200 323 M HA -0.106 4.374 4.480 -0.000 0.000 0.265 323 M C 2.409 178.471 176.300 -0.396 0.000 1.066 323 M CA 1.339 56.262 55.300 -0.630 0.000 1.127 323 M CB -0.236 32.129 32.600 -0.390 0.000 1.379 323 M HN 0.202 nan 8.290 nan 0.000 0.420 324 A N -0.160 122.493 122.820 -0.279 0.000 1.873 324 A HA -0.089 4.231 4.320 -0.000 0.000 0.215 324 A C 2.165 179.656 177.584 -0.155 0.000 1.186 324 A CA 1.477 53.372 52.037 -0.236 0.000 0.616 324 A CB -0.914 17.974 19.000 -0.187 0.000 0.823 324 A HN 0.288 nan 8.150 nan 0.000 0.442 325 V N -0.040 119.726 119.914 -0.246 0.000 2.515 325 V HA -0.133 3.987 4.120 -0.000 0.000 0.250 325 V C 2.756 178.817 176.094 -0.056 0.000 1.058 325 V CA 1.759 63.943 62.300 -0.193 0.000 1.064 325 V CB -1.332 30.274 31.823 -0.361 0.000 0.675 325 V HN 0.613 nan 8.190 nan 0.000 0.461 326 G N -0.853 107.916 108.800 -0.052 0.000 2.402 326 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.216 326 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.216 326 G C 1.554 176.516 174.900 0.102 0.000 1.162 326 G CA 0.883 46.007 45.100 0.040 0.000 0.777 326 G HN 0.474 nan 8.290 nan 0.000 0.539 327 F N 0.847 120.784 119.950 -0.023 0.000 2.113 327 F HA 0.053 4.580 4.527 0.000 0.000 0.297 327 F C 2.641 178.516 175.800 0.124 0.000 1.103 327 F CA 1.899 59.908 58.000 0.015 0.000 1.248 327 F CB -0.110 38.613 39.000 -0.461 0.000 0.999 327 F HN 0.141 nan 8.300 nan 0.000 0.475 328 M N -0.138 119.555 119.600 0.155 0.000 2.080 328 M HA -0.228 4.252 4.480 -0.000 0.000 0.260 328 M C 1.952 178.323 176.300 0.118 0.000 1.068 328 M CA 1.934 57.373 55.300 0.232 0.000 1.109 328 M CB -0.425 32.327 32.600 0.252 0.000 1.342 328 M HN 0.280 nan 8.290 nan 0.000 0.405 329 L N -0.208 121.044 121.223 0.049 0.000 2.291 329 L HA -0.075 4.264 4.340 -0.000 0.000 0.214 329 L C 2.518 179.438 176.870 0.082 0.000 1.120 329 L CA 0.751 55.606 54.840 0.025 0.000 0.799 329 L CB -0.666 41.386 42.059 -0.012 0.000 0.925 329 L HN 0.406 nan 8.230 nan 0.000 0.446 330 A N -2.119 120.735 122.820 0.058 0.000 1.997 330 A HA -0.052 4.268 4.320 -0.000 0.000 0.212 330 A C 1.175 178.995 177.584 0.393 0.000 1.178 330 A CA 0.138 52.273 52.037 0.164 0.000 0.698 330 A CB -0.296 18.622 19.000 -0.138 0.000 0.842 330 A HN 0.275 nan 8.150 nan 0.000 0.458 331 H N 1.180 120.332 119.070 0.135 0.000 2.722 331 H HA 0.144 4.700 4.556 0.000 0.000 0.328 331 H C -1.604 173.804 175.328 0.133 0.000 1.067 331 H CA -1.233 54.840 56.048 0.041 0.000 1.447 331 H CB 1.401 30.989 29.762 -0.290 0.000 1.469 331 H HN 0.122 nan 8.280 nan 0.000 0.544 332 P HA -0.167 nan 4.420 nan 0.000 0.225 332 P C 0.303 177.694 177.300 0.153 0.000 1.148 332 P CA 0.693 63.818 63.100 0.040 0.000 0.779 332 P CB -0.143 31.537 31.700 -0.034 0.000 0.780 333 Y N 2.218 122.679 120.300 0.267 0.000 2.632 333 Y HA 0.307 4.857 4.550 -0.000 0.000 0.329 333 Y C 1.328 177.260 175.900 0.053 0.000 1.174 333 Y CA 1.268 59.477 58.100 0.181 0.000 1.469 333 Y CB -0.303 38.296 38.460 0.230 0.000 1.242 333 Y HN 0.292 nan 8.280 nan 0.000 0.540 334 G N 4.628 113.029 108.800 -0.665 0.000 2.801 334 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.244 334 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.244 334 G C -1.234 173.557 174.900 -0.182 0.000 1.385 334 G CA -0.185 44.589 45.100 -0.542 0.000 0.894 334 G HN 0.891 nan 8.290 nan 0.000 0.562 335 F N 1.912 121.696 119.950 -0.277 0.000 2.415 335 F HA 0.627 5.153 4.527 -0.000 0.000 0.348 335 F C 1.221 176.905 175.800 -0.194 0.000 1.119 335 F CA -0.020 57.860 58.000 -0.200 0.000 1.069 335 F CB 1.412 40.310 39.000 -0.170 0.000 1.124 335 F HN 0.815 nan 8.300 nan 0.000 0.472 336 T N 4.127 118.222 114.554 -0.765 0.000 2.856 336 T HA 0.426 4.776 4.350 -0.000 0.000 0.292 336 T C -0.339 174.059 174.700 -0.504 0.000 0.980 336 T CA -0.864 60.923 62.100 -0.522 0.000 1.091 336 T CB 1.290 69.936 68.868 -0.369 0.000 0.936 336 T HN 0.781 nan 8.240 nan 0.000 0.503 337 R N 2.425 122.794 120.500 -0.219 0.000 2.439 337 R HA 0.575 4.915 4.340 -0.000 0.000 0.310 337 R C -1.507 174.796 176.300 0.005 0.000 0.955 337 R CA -0.695 55.340 56.100 -0.109 0.000 0.853 337 R CB 1.435 31.683 30.300 -0.087 0.000 1.171 337 R HN 0.608 nan 8.270 nan 0.000 0.449 338 V N 5.453 125.386 119.914 0.032 0.000 2.481 338 V HA 0.321 4.441 4.120 -0.000 0.000 0.286 338 V C 0.240 176.401 176.094 0.112 0.000 1.042 338 V CA -0.666 61.688 62.300 0.089 0.000 0.928 338 V CB 1.466 33.376 31.823 0.145 0.000 0.986 338 V HN 0.777 nan 8.190 nan 0.000 0.462 339 M N 4.122 123.811 119.600 0.149 0.000 2.277 339 M HA 0.479 4.959 4.480 -0.000 0.000 0.350 339 M C -0.158 176.191 176.300 0.082 0.000 1.180 339 M CA 0.540 55.925 55.300 0.142 0.000 1.103 339 M CB 1.418 34.139 32.600 0.203 0.000 1.577 339 M HN 0.624 nan 8.290 nan 0.000 0.459 340 S N 2.795 118.506 115.700 0.019 0.000 2.756 340 S HA 0.791 5.261 4.470 -0.000 0.000 0.303 340 S C -1.133 173.533 174.600 0.110 0.000 1.135 340 S CA -0.609 57.605 58.200 0.023 0.000 1.066 340 S CB 0.537 63.661 63.200 -0.128 0.000 1.008 340 S HN 0.840 nan 8.310 nan 0.000 0.482 341 S N 3.070 118.817 115.700 0.077 0.000 2.798 341 S HA 0.802 5.272 4.470 -0.000 0.000 0.312 341 S C -1.227 173.461 174.600 0.146 0.000 1.122 341 S CA -0.791 57.465 58.200 0.093 0.000 0.949 341 S CB 0.600 63.746 63.200 -0.089 0.000 1.235 341 S HN 0.781 nan 8.310 nan 0.000 0.552 342 Y N -0.965 119.391 120.300 0.094 0.000 2.524 342 Y HA 0.749 5.299 4.550 -0.000 0.000 0.344 342 Y C -0.348 175.541 175.900 -0.018 0.000 1.012 342 Y CA -1.371 56.685 58.100 -0.074 0.000 1.068 342 Y CB 0.861 39.149 38.460 -0.287 0.000 1.249 342 Y HN 0.474 nan 8.280 nan 0.000 0.468 343 R N 2.143 122.698 120.500 0.092 0.000 2.308 343 R HA 0.362 4.702 4.340 -0.000 0.000 0.305 343 R C -1.602 174.969 176.300 0.452 0.000 1.053 343 R CA -0.394 55.789 56.100 0.138 0.000 0.957 343 R CB 0.652 30.933 30.300 -0.032 0.000 1.022 343 R HN 0.942 nan 8.270 nan 0.000 0.461 344 W N 4.547 126.081 121.300 0.389 0.000 2.864 344 W HA 0.519 5.178 4.660 -0.001 0.000 0.343 344 W C -2.509 174.192 176.519 0.303 0.000 1.109 344 W CA -2.573 54.947 57.345 0.291 0.000 1.192 344 W CB 0.553 30.169 29.460 0.260 0.000 1.426 344 W HN 0.363 nan 8.180 nan 0.000 0.529 345 P HA 0.113 nan 4.420 nan 0.000 0.256 345 P C -0.210 177.024 177.300 -0.109 0.000 1.688 345 P CA 0.015 63.128 63.100 0.022 0.000 1.162 345 P CB 0.263 31.997 31.700 0.056 0.000 1.870 346 R N 2.322 122.555 120.500 -0.445 0.000 2.538 346 R HA 0.045 4.385 4.340 -0.000 0.000 0.282 346 R C 0.443 176.528 176.300 -0.358 0.000 1.009 346 R CA 0.618 56.386 56.100 -0.553 0.000 1.063 346 R CB 0.344 30.026 30.300 -1.031 0.000 0.945 346 R HN 0.510 nan 8.270 nan 0.000 0.414 347 Q N 3.729 123.336 119.800 -0.321 0.000 2.533 347 Q HA 0.203 4.543 4.340 -0.000 0.000 0.251 347 Q C -1.505 174.373 176.000 -0.203 0.000 0.966 347 Q CA -0.409 55.294 55.803 -0.167 0.000 0.714 347 Q CB 0.719 29.435 28.738 -0.037 0.000 1.284 347 Q HN 0.409 nan 8.270 nan 0.000 0.478 348 F N 2.508 122.438 119.950 -0.033 0.000 2.438 348 F HA 0.242 4.768 4.527 -0.001 0.000 0.360 348 F C 0.413 176.219 175.800 0.010 0.000 1.118 348 F CA 0.183 58.176 58.000 -0.010 0.000 1.164 348 F CB 0.879 39.853 39.000 -0.044 0.000 1.131 348 F HN 0.348 nan 8.300 nan 0.000 0.527 349 Q N 3.326 123.234 119.800 0.181 0.000 2.339 349 Q HA 0.282 4.622 4.340 -0.000 0.000 0.268 349 Q C -0.394 175.683 176.000 0.130 0.000 1.027 349 Q CA -0.793 55.087 55.803 0.128 0.000 0.759 349 Q CB 1.350 30.145 28.738 0.094 0.000 1.244 349 Q HN 0.559 nan 8.270 nan 0.000 0.464 350 N N 1.737 120.502 118.700 0.109 0.000 2.754 350 N HA -0.213 4.527 4.740 -0.000 0.000 0.248 350 N C 0.549 176.123 175.510 0.108 0.000 1.093 350 N CA 1.361 54.462 53.050 0.086 0.000 0.699 350 N CB -1.202 37.326 38.487 0.068 0.000 1.016 350 N HN 1.122 nan 8.380 nan 0.000 0.552 351 G N -1.701 107.186 108.800 0.146 0.000 2.205 351 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.261 351 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.261 351 G C 0.012 175.127 174.900 0.358 0.000 0.980 351 G CA 0.618 45.817 45.100 0.165 0.000 0.632 351 G HN 0.601 nan 8.290 nan 0.000 0.533 352 N N 0.183 119.088 118.700 0.340 0.000 2.272 352 N HA 0.508 5.248 4.740 -0.000 0.000 0.305 352 N C -1.433 174.129 175.510 0.087 0.000 1.103 352 N CA -0.666 52.550 53.050 0.277 0.000 0.791 352 N CB 1.585 40.168 38.487 0.160 0.000 1.356 352 N HN 0.124 nan 8.380 nan 0.000 0.486 353 D N 0.980 121.304 120.400 -0.128 0.000 2.338 353 D HA 0.038 4.678 4.640 -0.000 0.000 0.255 353 D C 1.020 177.333 176.300 0.022 0.000 1.237 353 D CA -0.413 53.408 54.000 -0.298 0.000 0.883 353 D CB 0.801 41.377 40.800 -0.373 0.000 1.087 353 D HN 0.381 nan 8.370 nan 0.000 0.485 354 V N 1.717 121.665 119.914 0.058 0.000 3.380 354 V HA 0.110 4.230 4.120 -0.000 0.000 0.268 354 V C 0.751 177.046 176.094 0.336 0.000 1.168 354 V CA 0.582 63.005 62.300 0.205 0.000 1.156 354 V CB -0.373 31.558 31.823 0.180 0.000 0.785 354 V HN 0.350 nan 8.190 nan 0.000 0.487 355 N N 1.773 120.586 118.700 0.189 0.000 2.273 355 N HA 0.078 4.818 4.740 -0.000 0.000 0.231 355 N C 0.862 176.328 175.510 -0.072 0.000 1.134 355 N CA 0.756 53.808 53.050 0.003 0.000 0.856 355 N CB 0.297 38.808 38.487 0.040 0.000 1.068 355 N HN 0.794 nan 8.380 nan 0.000 0.510 356 D N -0.422 120.084 120.400 0.176 0.000 2.378 356 D HA -0.144 4.496 4.640 -0.000 0.000 0.222 356 D C 1.675 178.189 176.300 0.356 0.000 0.980 356 D CA 0.299 54.420 54.000 0.201 0.000 0.907 356 D CB -0.476 40.573 40.800 0.415 0.000 0.899 356 D HN 0.466 nan 8.370 nan 0.000 0.527 357 W N 1.007 122.553 121.300 0.411 0.000 2.576 357 W HA 0.208 4.868 4.660 -0.000 0.000 0.270 357 W C -0.088 176.546 176.519 0.193 0.000 1.255 357 W CA -0.541 57.017 57.345 0.355 0.000 1.314 357 W CB -0.925 28.697 29.460 0.270 0.000 1.101 357 W HN -0.300 nan 8.180 nan 0.000 0.595 358 V N 3.678 123.214 119.914 -0.630 0.000 2.621 358 V HA 0.026 4.146 4.120 -0.000 0.000 0.300 358 V C 1.488 177.593 176.094 0.018 0.000 1.031 358 V CA 1.088 63.052 62.300 -0.560 0.000 1.210 358 V CB -0.881 30.629 31.823 -0.522 0.000 0.864 358 V HN 0.187 nan 8.190 nan 0.000 0.477 359 G N 7.154 115.939 108.800 -0.025 0.000 2.621 359 G HA2 0.444 4.404 3.960 -0.000 0.000 0.271 359 G HA3 0.444 4.404 3.960 -0.000 0.000 0.271 359 G C -2.198 172.395 174.900 -0.512 0.000 1.236 359 G CA -1.027 44.017 45.100 -0.094 0.000 0.958 359 G HN 0.651 nan 8.290 nan 0.000 0.512 360 P HA 0.133 nan 4.420 nan 0.000 0.269 360 P C -2.658 174.140 177.300 -0.837 0.000 1.217 360 P CA -0.879 61.415 63.100 -1.343 0.000 0.783 360 P CB -0.090 31.163 31.700 -0.744 0.000 0.898 361 P HA 0.039 nan 4.420 nan 0.000 0.260 361 P C -0.294 176.800 177.300 -0.343 0.000 1.185 361 P CA 0.744 63.490 63.100 -0.590 0.000 0.763 361 P CB -0.240 30.968 31.700 -0.820 0.000 0.776 362 N N 1.416 120.004 118.700 -0.185 0.000 2.647 362 N HA 0.438 5.178 4.740 -0.000 0.000 0.266 362 N C -1.438 174.062 175.510 -0.016 0.000 1.373 362 N CA -1.096 51.909 53.050 -0.075 0.000 0.807 362 N CB 1.417 39.887 38.487 -0.029 0.000 1.513 362 N HN 0.078 nan 8.380 nan 0.000 0.505 363 N N -0.070 118.639 118.700 0.015 0.000 2.573 363 N HA 0.334 5.074 4.740 -0.000 0.000 0.262 363 N C -1.069 174.481 175.510 0.067 0.000 1.029 363 N CA -0.567 52.498 53.050 0.024 0.000 0.882 363 N CB 0.199 38.691 38.487 0.009 0.000 1.204 363 N HN 0.678 nan 8.380 nan 0.000 0.519 364 N N 2.846 121.602 118.700 0.093 0.000 2.725 364 N HA -0.234 4.506 4.740 -0.000 0.000 0.249 364 N C 0.660 176.370 175.510 0.334 0.000 1.103 364 N CA 1.333 54.478 53.050 0.158 0.000 0.707 364 N CB -0.880 37.661 38.487 0.090 0.000 1.043 364 N HN 0.976 nan 8.380 nan 0.000 0.553 365 G N -2.097 106.921 108.800 0.363 0.000 2.259 365 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.217 365 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.217 365 G C -0.006 174.905 174.900 0.017 0.000 1.001 365 G CA 0.094 45.297 45.100 0.172 0.000 0.627 365 G HN 0.357 nan 8.290 nan 0.000 0.501 366 V N 3.422 123.358 119.914 0.037 0.000 2.427 366 V HA 0.395 4.515 4.120 -0.000 0.000 0.268 366 V C 1.300 177.377 176.094 -0.027 0.000 1.046 366 V CA -0.490 61.806 62.300 -0.007 0.000 0.970 366 V CB 1.000 32.828 31.823 0.008 0.000 1.001 366 V HN 0.363 nan 8.190 nan 0.000 0.476 367 I N 5.140 125.675 120.570 -0.057 0.000 2.752 367 I HA 0.004 4.174 4.170 -0.000 0.000 0.289 367 I C 0.967 177.087 176.117 0.006 0.000 1.197 367 I CA 0.343 61.616 61.300 -0.044 0.000 1.432 367 I CB 0.086 38.059 38.000 -0.046 0.000 1.359 367 I HN 0.587 nan 8.210 nan 0.000 0.571 368 K N 6.222 126.649 120.400 0.044 0.000 2.295 368 K HA 0.093 4.413 4.320 -0.000 0.000 0.270 368 K C 0.194 176.886 176.600 0.153 0.000 1.011 368 K CA -0.552 55.785 56.287 0.083 0.000 0.953 368 K CB 0.541 33.070 32.500 0.049 0.000 0.956 368 K HN 0.496 nan 8.250 nan 0.000 0.477 369 E N 1.310 121.532 120.200 0.037 0.000 2.373 369 E HA 0.059 4.409 4.350 -0.000 0.000 0.263 369 E C -0.435 176.080 176.600 -0.142 0.000 1.073 369 E CA -0.465 55.879 56.400 -0.093 0.000 0.894 369 E CB 0.604 30.255 29.700 -0.082 0.000 1.008 369 E HN 0.087 nan 8.360 nan 0.000 0.420 370 V N 2.942 122.565 119.914 -0.486 0.000 2.356 370 V HA 0.089 4.209 4.120 -0.000 0.000 0.258 370 V C 0.513 176.438 176.094 -0.282 0.000 1.065 370 V CA -0.312 61.595 62.300 -0.655 0.000 0.935 370 V CB -0.063 30.948 31.823 -1.352 0.000 1.061 370 V HN 0.758 nan 8.190 nan 0.000 0.484 371 T N 3.997 118.486 114.554 -0.109 0.000 2.889 371 T HA 0.622 4.972 4.350 -0.000 0.000 0.291 371 T C -0.339 174.337 174.700 -0.040 0.000 0.995 371 T CA -0.703 61.365 62.100 -0.053 0.000 1.092 371 T CB 1.351 70.213 68.868 -0.009 0.000 0.954 371 T HN 0.222 nan 8.240 nan 0.000 0.506 372 I N 3.090 123.643 120.570 -0.029 0.000 2.336 372 I HA 0.340 4.510 4.170 -0.000 0.000 0.292 372 I C 0.223 176.340 176.117 0.001 0.000 0.991 372 I CA -1.022 60.268 61.300 -0.016 0.000 1.227 372 I CB 0.859 38.854 38.000 -0.009 0.000 1.366 372 I HN 0.664 nan 8.210 nan 0.000 0.466 373 N N 8.447 127.151 118.700 0.007 0.000 2.483 373 N HA 0.272 5.012 4.740 -0.000 0.000 0.269 373 N C -1.403 174.117 175.510 0.016 0.000 1.209 373 N CA -1.407 51.650 53.050 0.012 0.000 0.969 373 N CB 0.819 39.315 38.487 0.014 0.000 1.173 373 N HN 0.365 nan 8.380 nan 0.000 0.475 374 P HA -0.141 nan 4.420 nan 0.000 0.220 374 P C 0.103 177.419 177.300 0.027 0.000 1.144 374 P CA 1.243 64.356 63.100 0.021 0.000 0.800 374 P CB 0.211 31.921 31.700 0.017 0.000 0.772 375 D N -1.206 119.208 120.400 0.024 0.000 2.358 375 D HA -0.017 4.622 4.640 -0.000 0.000 0.224 375 D C 0.717 177.041 176.300 0.041 0.000 1.123 375 D CA 0.738 54.755 54.000 0.028 0.000 0.833 375 D CB -1.014 39.795 40.800 0.015 0.000 0.946 375 D HN 0.230 nan 8.370 nan 0.000 0.505 376 T N -3.964 110.615 114.554 0.042 0.000 6.974 376 T HA -0.277 4.073 4.350 -0.000 0.000 0.287 376 T C 0.567 175.261 174.700 -0.011 0.000 2.146 376 T CA 1.536 63.659 62.100 0.038 0.000 3.451 376 T CB -3.070 65.864 68.868 0.111 0.000 1.630 376 T HN 0.569 nan 8.240 nan 0.000 1.173 377 T N -1.106 113.456 114.554 0.012 0.000 2.788 377 T HA 0.648 4.998 4.350 -0.000 0.000 0.280 377 T C 0.770 175.482 174.700 0.020 0.000 0.984 377 T CA -0.305 61.811 62.100 0.027 0.000 0.972 377 T CB 1.338 70.230 68.868 0.040 0.000 1.039 377 T HN 0.611 nan 8.240 nan 0.000 0.530 378 c N 0.689 119.324 118.600 0.058 0.000 2.391 378 c HA 0.871 5.441 4.570 -0.000 0.000 0.339 378 c C 1.347 175.489 174.090 0.088 0.000 1.205 378 c CA -0.404 55.965 56.329 0.068 0.000 1.937 378 c CB 0.667 43.246 42.510 0.116 0.000 2.341 378 c HN 1.181 nan 8.230 nan 0.000 0.516 379 G N 0.533 109.382 108.800 0.082 0.000 2.671 379 G HA2 0.449 4.409 3.960 -0.000 0.000 0.275 379 G HA3 0.449 4.409 3.960 -0.000 0.000 0.275 379 G C -0.021 174.950 174.900 0.120 0.000 1.368 379 G CA -0.216 44.927 45.100 0.071 0.000 1.044 379 G HN 0.753 nan 8.290 nan 0.000 0.543 380 N N 0.383 119.112 118.700 0.048 0.000 2.708 380 N HA -0.150 4.590 4.740 -0.000 0.000 0.249 380 N C -0.017 175.356 175.510 -0.228 0.000 1.097 380 N CA 1.267 54.305 53.050 -0.020 0.000 0.710 380 N CB -0.652 37.889 38.487 0.090 0.000 1.032 380 N HN 0.676 nan 8.380 nan 0.000 0.551 381 D N -4.235 116.075 120.400 -0.150 0.000 3.079 381 D HA -0.241 4.399 4.640 -0.000 0.000 0.214 381 D C -0.501 175.659 176.300 -0.233 0.000 1.145 381 D CA 1.068 54.950 54.000 -0.196 0.000 0.958 381 D CB -1.465 39.205 40.800 -0.217 0.000 1.117 381 D HN 0.551 nan 8.370 nan 0.000 0.416 382 W N 0.543 121.818 121.300 -0.041 0.000 2.335 382 W HA 0.352 5.013 4.660 0.000 0.000 0.306 382 W C 1.722 178.232 176.519 -0.015 0.000 1.216 382 W CA -0.948 56.388 57.345 -0.016 0.000 1.237 382 W CB 0.765 30.163 29.460 -0.103 0.000 1.243 382 W HN -0.274 nan 8.180 nan 0.000 0.493 383 V N 2.447 122.429 119.914 0.113 0.000 2.427 383 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 383 V C 1.261 177.447 176.094 0.154 0.000 1.051 383 V CA 0.605 62.890 62.300 -0.026 0.000 1.048 383 V CB -0.943 30.541 31.823 -0.564 0.000 0.666 383 V HN 0.854 nan 8.190 nan 0.000 0.456 384 c N 1.152 119.863 118.600 0.186 0.000 3.896 384 c HA -0.156 4.414 4.570 -0.000 0.000 0.300 384 c C 1.663 175.651 174.090 -0.170 0.000 1.322 384 c CA 0.493 56.914 56.329 0.154 0.000 2.130 384 c CB -2.516 40.063 42.510 0.115 0.000 1.363 384 c HN 0.686 nan 8.230 nan 0.000 0.642 385 E N 0.497 120.475 120.200 -0.371 0.000 2.160 385 E HA -0.197 4.153 4.350 -0.000 0.000 0.195 385 E C 1.971 178.327 176.600 -0.406 0.000 0.991 385 E CA 1.724 57.556 56.400 -0.946 0.000 0.810 385 E CB -0.142 29.190 29.700 -0.614 0.000 0.742 385 E HN 0.977 nan 8.360 nan 0.000 0.466 386 H N -0.089 118.889 119.070 -0.154 0.000 2.521 386 H HA 0.082 4.638 4.556 -0.000 0.000 0.286 386 H C 1.378 176.824 175.328 0.196 0.000 1.034 386 H CA 0.963 57.060 56.048 0.081 0.000 1.278 386 H CB -0.046 29.686 29.762 -0.051 0.000 1.386 386 H HN 0.085 nan 8.280 nan 0.000 0.567 387 R N -0.591 119.634 120.500 -0.459 0.000 2.300 387 R HA 0.044 4.384 4.340 -0.000 0.000 0.199 387 R C -0.179 176.254 176.300 0.222 0.000 0.920 387 R CA -0.357 55.580 56.100 -0.273 0.000 1.046 387 R CB 0.216 30.163 30.300 -0.589 0.000 0.984 387 R HN 0.121 nan 8.270 nan 0.000 0.493 388 W N 1.797 123.121 121.300 0.041 0.000 2.251 388 W HA 0.136 4.796 4.660 -0.000 0.000 0.327 388 W C 1.565 178.163 176.519 0.132 0.000 1.361 388 W CA -1.098 56.301 57.345 0.091 0.000 1.234 388 W CB 0.036 29.570 29.460 0.125 0.000 1.212 388 W HN 0.058 nan 8.180 nan 0.000 0.557 389 R N 1.656 122.340 120.500 0.307 0.000 2.113 389 R HA -0.307 4.033 4.340 -0.000 0.000 0.244 389 R C 1.692 178.115 176.300 0.206 0.000 1.142 389 R CA 2.507 58.737 56.100 0.218 0.000 0.953 389 R CB 0.016 30.392 30.300 0.127 0.000 0.860 389 R HN 0.503 nan 8.270 nan 0.000 0.438 390 Q N 0.019 119.950 119.800 0.219 0.000 2.124 390 Q HA -0.090 4.250 4.340 -0.000 0.000 0.202 390 Q C 2.005 178.147 176.000 0.238 0.000 0.977 390 Q CA 1.730 57.649 55.803 0.192 0.000 0.850 390 Q CB -0.044 28.835 28.738 0.234 0.000 0.901 390 Q HN 0.476 nan 8.270 nan 0.000 0.429 391 I N -0.375 120.368 120.570 0.289 0.000 2.429 391 I HA -0.127 4.043 4.170 -0.000 0.000 0.247 391 I C 2.502 178.741 176.117 0.203 0.000 1.099 391 I CA 0.471 61.902 61.300 0.219 0.000 1.422 391 I CB -0.240 37.872 38.000 0.186 0.000 1.112 391 I HN 0.139 nan 8.210 nan 0.000 0.430 392 R N 1.534 122.205 120.500 0.284 0.000 2.091 392 R HA -0.193 4.147 4.340 -0.000 0.000 0.238 392 R C 1.724 178.110 176.300 0.144 0.000 1.136 392 R CA 1.851 58.134 56.100 0.306 0.000 0.959 392 R CB -0.374 30.183 30.300 0.428 0.000 0.856 392 R HN 0.328 nan 8.270 nan 0.000 0.437 393 N N -0.006 118.784 118.700 0.151 0.000 2.396 393 N HA -0.076 4.664 4.740 -0.000 0.000 0.180 393 N C 1.462 177.048 175.510 0.125 0.000 1.028 393 N CA 0.875 54.005 53.050 0.134 0.000 0.893 393 N CB -0.049 38.523 38.487 0.141 0.000 0.967 393 N HN 0.209 nan 8.380 nan 0.000 0.440 394 M N -0.224 119.430 119.600 0.090 0.000 2.447 394 M HA 0.084 4.564 4.480 -0.000 0.000 0.264 394 M C 1.678 177.987 176.300 0.015 0.000 1.095 394 M CA 0.339 55.671 55.300 0.053 0.000 1.125 394 M CB -0.394 32.226 32.600 0.032 0.000 1.389 394 M HN -0.117 nan 8.290 nan 0.000 0.459 395 V N 0.213 120.082 119.914 -0.075 0.000 2.453 395 V HA -0.193 3.927 4.120 -0.000 0.000 0.247 395 V C 2.254 178.219 176.094 -0.216 0.000 1.048 395 V CA 1.297 63.448 62.300 -0.249 0.000 1.049 395 V CB -0.393 31.054 31.823 -0.626 0.000 0.672 395 V HN 0.325 nan 8.190 nan 0.000 0.457 396 I N -0.847 119.633 120.570 -0.151 0.000 2.353 396 I HA -0.209 3.961 4.170 -0.000 0.000 0.248 396 I C 2.293 178.289 176.117 -0.201 0.000 1.119 396 I CA 1.533 62.746 61.300 -0.146 0.000 1.417 396 I CB -0.402 37.557 38.000 -0.069 0.000 1.078 396 I HN 0.302 nan 8.210 nan 0.000 0.421 397 F N 1.947 121.704 119.950 -0.322 0.000 2.095 397 F HA -0.257 4.270 4.527 0.000 0.000 0.298 397 F C 2.721 178.377 175.800 -0.240 0.000 1.104 397 F CA 1.757 59.522 58.000 -0.392 0.000 1.232 397 F CB -0.300 38.614 39.000 -0.143 0.000 0.987 397 F HN -0.164 nan 8.300 nan 0.000 0.475 398 R N 0.191 120.777 120.500 0.143 0.000 2.096 398 R HA -0.181 4.159 4.340 -0.000 0.000 0.235 398 R C 1.994 178.256 176.300 -0.063 0.000 1.127 398 R CA 1.704 57.844 56.100 0.067 0.000 0.968 398 R CB -0.329 29.981 30.300 0.016 0.000 0.861 398 R HN 0.293 nan 8.270 nan 0.000 0.440 399 N N -0.132 118.498 118.700 -0.116 0.000 2.120 399 N HA -0.128 4.612 4.740 -0.000 0.000 0.188 399 N C 1.705 177.134 175.510 -0.134 0.000 1.024 399 N CA 1.305 54.285 53.050 -0.117 0.000 0.852 399 N CB -0.303 38.108 38.487 -0.126 0.000 1.003 399 N HN 0.038 nan 8.380 nan 0.000 0.424 400 V N 0.864 120.647 119.914 -0.218 0.000 2.515 400 V HA -0.102 4.018 4.120 -0.000 0.000 0.250 400 V C 2.001 177.968 176.094 -0.211 0.000 1.058 400 V CA 1.374 63.535 62.300 -0.232 0.000 1.064 400 V CB -0.462 31.134 31.823 -0.377 0.000 0.675 400 V HN 0.309 nan 8.190 nan 0.000 0.461 401 V N -2.252 117.509 119.914 -0.256 0.000 3.596 401 V HA 0.276 4.396 4.120 -0.000 0.000 0.289 401 V C 0.538 176.591 176.094 -0.068 0.000 1.336 401 V CA -0.271 61.917 62.300 -0.186 0.000 1.137 401 V CB -0.321 31.331 31.823 -0.285 0.000 0.966 401 V HN 0.420 nan 8.190 nan 0.000 0.428 402 D N 1.662 122.028 120.400 -0.057 0.000 2.472 402 D HA 0.398 5.038 4.640 -0.000 0.000 0.248 402 D C 1.465 177.760 176.300 -0.008 0.000 1.174 402 D CA 2.088 56.076 54.000 -0.020 0.000 0.883 402 D CB 0.448 41.235 40.800 -0.022 0.000 1.149 402 D HN 0.609 nan 8.370 nan 0.000 0.488 403 G N 3.160 111.965 108.800 0.009 0.000 2.234 403 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.235 403 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.235 403 G C 0.224 175.139 174.900 0.025 0.000 0.997 403 G CA -0.106 45.002 45.100 0.013 0.000 0.623 403 G HN 0.567 nan 8.290 nan 0.000 0.514 404 Q N 1.778 121.596 119.800 0.029 0.000 2.352 404 Q HA 0.385 4.725 4.340 -0.000 0.000 0.260 404 Q C -1.802 174.247 176.000 0.081 0.000 0.976 404 Q CA -1.148 54.684 55.803 0.048 0.000 0.881 404 Q CB 1.305 30.065 28.738 0.038 0.000 1.235 404 Q HN 0.444 nan 8.270 nan 0.000 0.419 405 P HA 0.106 nan 4.420 nan 0.000 0.274 405 P C -0.726 176.691 177.300 0.196 0.000 1.256 405 P CA -0.413 62.765 63.100 0.130 0.000 0.795 405 P CB 0.506 32.273 31.700 0.112 0.000 1.038 406 F N 1.807 121.777 119.950 0.033 0.000 2.413 406 F HA 0.326 4.853 4.527 -0.000 0.000 0.359 406 F C 0.129 176.000 175.800 0.118 0.000 1.122 406 F CA 0.526 58.548 58.000 0.037 0.000 1.160 406 F CB -0.010 38.924 39.000 -0.110 0.000 1.146 406 F HN 0.306 nan 8.300 nan 0.000 0.514 407 T N 1.597 116.094 114.554 -0.095 0.000 2.838 407 T HA 0.337 4.687 4.350 -0.000 0.000 0.292 407 T C -0.321 174.389 174.700 0.016 0.000 1.113 407 T CA -1.218 60.880 62.100 -0.003 0.000 1.008 407 T CB 1.386 70.310 68.868 0.093 0.000 1.259 407 T HN 0.485 nan 8.240 nan 0.000 0.520 408 N N 0.645 119.425 118.700 0.133 0.000 2.705 408 N HA -0.139 4.601 4.740 -0.000 0.000 0.255 408 N C -0.524 175.150 175.510 0.274 0.000 1.008 408 N CA 0.508 53.696 53.050 0.231 0.000 0.742 408 N CB -0.675 37.997 38.487 0.309 0.000 0.906 408 N HN 0.751 nan 8.380 nan 0.000 0.541 409 W N 0.958 122.289 121.300 0.051 0.000 2.190 409 W HA 0.311 4.971 4.660 -0.000 0.000 0.330 409 W C -0.444 176.208 176.519 0.222 0.000 1.299 409 W CA -0.042 57.354 57.345 0.086 0.000 1.215 409 W CB 0.403 29.895 29.460 0.052 0.000 1.147 409 W HN 0.230 nan 8.180 nan 0.000 0.563 410 Y N 4.808 124.724 120.300 -0.641 0.000 2.534 410 Y HA 0.387 4.937 4.550 0.000 0.000 0.345 410 Y C -1.552 173.896 175.900 -0.753 0.000 1.031 410 Y CA -0.988 56.862 58.100 -0.417 0.000 1.022 410 Y CB 1.482 39.866 38.460 -0.127 0.000 1.292 410 Y HN 0.533 nan 8.280 nan 0.000 0.459 411 D N 1.720 121.267 120.400 -1.422 0.000 2.654 411 D HA 0.201 4.841 4.640 -0.000 0.000 0.231 411 D C -1.079 174.685 176.300 -0.894 0.000 1.239 411 D CA -0.785 52.650 54.000 -0.941 0.000 0.790 411 D CB 0.973 41.641 40.800 -0.220 0.000 1.480 411 D HN 0.424 nan 8.370 nan 0.000 0.442 412 N N 1.143 119.595 118.700 -0.414 0.000 2.268 412 N HA 0.190 4.930 4.740 -0.000 0.000 0.204 412 N C 1.364 176.894 175.510 0.034 0.000 1.124 412 N CA 0.336 53.352 53.050 -0.056 0.000 0.838 412 N CB 0.492 39.109 38.487 0.218 0.000 0.994 412 N HN 1.063 nan 8.380 nan 0.000 0.489 413 G N -1.276 107.516 108.800 -0.013 0.000 2.176 413 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.253 413 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.253 413 G C 0.380 175.291 174.900 0.019 0.000 0.979 413 G CA 0.614 45.738 45.100 0.040 0.000 0.641 413 G HN 0.642 nan 8.290 nan 0.000 0.530 414 S N -0.721 114.977 115.700 -0.003 0.000 3.906 414 S HA 0.454 4.924 4.470 -0.000 0.000 0.188 414 S C 0.953 175.454 174.600 -0.165 0.000 1.054 414 S CA 0.806 58.978 58.200 -0.046 0.000 1.503 414 S CB 0.196 63.452 63.200 0.094 0.000 1.144 414 S HN 0.283 nan 8.310 nan 0.000 0.833 415 N N 0.587 119.155 118.700 -0.220 0.000 2.291 415 N HA 0.339 5.079 4.740 -0.000 0.000 0.244 415 N C -1.267 174.066 175.510 -0.294 0.000 1.216 415 N CA -0.082 52.802 53.050 -0.277 0.000 0.879 415 N CB 1.075 39.382 38.487 -0.300 0.000 1.167 415 N HN 0.302 nan 8.380 nan 0.000 0.515 416 Q N 1.543 121.178 119.800 -0.274 0.000 2.431 416 Q HA 0.377 4.717 4.340 -0.000 0.000 0.249 416 Q C -0.636 175.146 176.000 -0.364 0.000 1.025 416 Q CA -0.647 54.948 55.803 -0.347 0.000 0.835 416 Q CB 1.695 30.260 28.738 -0.289 0.000 1.207 416 Q HN 0.121 nan 8.270 nan 0.000 0.490 417 V N -1.139 118.565 119.914 -0.350 0.000 3.103 417 V HA 1.049 5.169 4.120 -0.000 0.000 0.318 417 V C -0.729 175.155 176.094 -0.350 0.000 1.114 417 V CA -0.908 61.132 62.300 -0.434 0.000 1.020 417 V CB 1.884 33.446 31.823 -0.436 0.000 1.085 417 V HN 0.662 nan 8.190 nan 0.000 0.446 418 A N 2.139 124.648 122.820 -0.518 0.000 2.577 418 A HA 0.933 5.253 4.320 -0.000 0.000 0.297 418 A C -1.195 176.116 177.584 -0.455 0.000 1.060 418 A CA -0.296 51.444 52.037 -0.495 0.000 0.697 418 A CB 1.457 20.217 19.000 -0.401 0.000 1.281 418 A HN 2.300 nan 8.150 nan 0.000 0.402 419 F N -0.419 119.084 119.950 -0.746 0.000 2.713 419 F HA 0.885 5.412 4.527 -0.000 0.000 0.311 419 F C 0.031 175.415 175.800 -0.694 0.000 1.141 419 F CA -0.427 57.255 58.000 -0.529 0.000 0.939 419 F CB 1.038 39.897 39.000 -0.235 0.000 1.325 419 F HN 1.013 nan 8.300 nan 0.000 0.453 420 G N 0.694 109.477 108.800 -0.028 0.000 2.511 420 G HA2 0.639 4.599 3.960 -0.000 0.000 0.318 420 G HA3 0.639 4.599 3.960 -0.000 0.000 0.318 420 G C -1.415 173.618 174.900 0.222 0.000 1.210 420 G CA -1.226 43.975 45.100 0.168 0.000 0.969 420 G HN 0.578 nan 8.290 nan 0.000 0.484 421 R N 0.812 121.434 120.500 0.203 0.000 2.396 421 R HA 0.442 4.782 4.340 -0.000 0.000 0.292 421 R C 0.984 177.346 176.300 0.104 0.000 1.240 421 R CA 0.094 56.299 56.100 0.176 0.000 1.270 421 R CB 0.241 30.640 30.300 0.164 0.000 1.108 421 R HN 1.210 nan 8.270 nan 0.000 0.573 422 G N 3.481 112.347 108.800 0.110 0.000 2.591 422 G HA2 -0.468 3.492 3.960 -0.000 0.000 0.298 422 G HA3 -0.468 3.492 3.960 -0.000 0.000 0.298 422 G C 0.387 175.333 174.900 0.075 0.000 1.195 422 G CA 0.739 45.888 45.100 0.082 0.000 0.989 422 G HN 0.706 nan 8.290 nan 0.000 0.551 423 N N -0.382 118.349 118.700 0.052 0.000 2.204 423 N HA 0.341 5.081 4.740 -0.000 0.000 0.219 423 N C 1.530 177.065 175.510 0.042 0.000 1.151 423 N CA -0.077 53.001 53.050 0.047 0.000 0.867 423 N CB 0.487 39.000 38.487 0.042 0.000 1.043 423 N HN 0.410 nan 8.380 nan 0.000 0.516 424 R N 0.009 120.520 120.500 0.018 0.000 2.307 424 R HA 0.337 4.677 4.340 -0.000 0.000 0.200 424 R C 0.239 176.495 176.300 -0.074 0.000 0.893 424 R CA 0.433 56.523 56.100 -0.016 0.000 1.042 424 R CB 1.171 31.435 30.300 -0.060 0.000 1.059 424 R HN 0.274 nan 8.270 nan 0.000 0.530 425 G N 0.364 109.127 108.800 -0.062 0.000 2.703 425 G HA2 0.506 4.466 3.960 -0.000 0.000 0.294 425 G HA3 0.506 4.466 3.960 -0.000 0.000 0.294 425 G C -2.052 172.973 174.900 0.209 0.000 1.451 425 G CA -0.437 44.612 45.100 -0.085 0.000 0.869 425 G HN -0.004 nan 8.290 nan 0.000 0.516 426 F N 0.552 120.577 119.950 0.125 0.000 2.608 426 F HA 0.814 5.341 4.527 0.000 0.000 0.309 426 F C -1.006 174.741 175.800 -0.088 0.000 1.103 426 F CA -0.974 57.021 58.000 -0.010 0.000 0.954 426 F CB 2.169 41.129 39.000 -0.066 0.000 1.267 426 F HN 0.506 nan 8.300 nan 0.000 0.444 427 I N 5.325 125.355 120.570 -0.899 0.000 2.656 427 I HA 0.712 4.882 4.170 -0.000 0.000 0.292 427 I C -1.829 173.597 176.117 -1.152 0.000 1.144 427 I CA -0.702 60.045 61.300 -0.923 0.000 1.038 427 I CB 1.920 39.323 38.000 -0.994 0.000 1.244 427 I HN 0.362 nan 8.210 nan 0.000 0.420 428 V N 6.858 126.191 119.914 -0.968 0.000 2.735 428 V HA 0.566 4.686 4.120 -0.000 0.000 0.310 428 V C -0.992 174.630 176.094 -0.787 0.000 1.061 428 V CA -0.542 61.271 62.300 -0.812 0.000 0.913 428 V CB 1.848 33.230 31.823 -0.734 0.000 1.005 428 V HN 0.490 nan 8.190 nan 0.000 0.428 429 F N 2.072 121.804 119.950 -0.363 0.000 2.563 429 F HA 0.619 5.146 4.527 0.000 0.000 0.316 429 F C 0.074 175.653 175.800 -0.368 0.000 1.076 429 F CA -0.700 57.143 58.000 -0.261 0.000 0.921 429 F CB 2.050 40.896 39.000 -0.256 0.000 1.209 429 F HN 0.473 nan 8.300 nan 0.000 0.462 430 N N 1.479 120.140 118.700 -0.066 0.000 2.577 430 N HA 0.202 4.942 4.740 -0.000 0.000 0.275 430 N C -1.044 174.384 175.510 -0.137 0.000 1.091 430 N CA -0.273 52.673 53.050 -0.173 0.000 0.843 430 N CB 0.574 38.991 38.487 -0.116 0.000 1.295 430 N HN 0.566 nan 8.380 nan 0.000 0.530 431 N N 1.778 120.351 118.700 -0.211 0.000 2.275 431 N HA 0.179 4.919 4.740 -0.000 0.000 0.236 431 N C -1.064 174.278 175.510 -0.280 0.000 1.154 431 N CA -0.161 52.766 53.050 -0.206 0.000 0.866 431 N CB 0.342 38.698 38.487 -0.219 0.000 1.093 431 N HN 0.493 nan 8.380 nan 0.000 0.515 432 D N -0.545 119.602 120.400 -0.422 0.000 2.332 432 D HA 0.156 4.796 4.640 -0.000 0.000 0.252 432 D C -0.106 175.910 176.300 -0.472 0.000 1.050 432 D CA -0.165 53.425 54.000 -0.685 0.000 0.970 432 D CB 0.982 40.906 40.800 -1.460 0.000 1.141 432 D HN 0.079 nan 8.370 nan 0.000 0.485 433 D N 0.825 121.031 120.400 -0.324 0.000 2.413 433 D HA 0.115 4.755 4.640 -0.000 0.000 0.237 433 D C -0.053 176.391 176.300 0.240 0.000 1.171 433 D CA 0.010 54.022 54.000 0.020 0.000 0.839 433 D CB 0.007 40.885 40.800 0.130 0.000 0.950 433 D HN 0.331 nan 8.370 nan 0.000 0.499 434 W N -1.133 120.202 121.300 0.060 0.000 3.047 434 W HA 0.543 5.203 4.660 -0.000 0.000 0.341 434 W C -0.495 176.084 176.519 0.100 0.000 1.225 434 W CA -1.027 56.361 57.345 0.071 0.000 1.150 434 W CB 0.128 29.629 29.460 0.068 0.000 1.470 434 W HN -0.432 nan 8.180 nan 0.000 0.578 435 S N 1.163 117.081 115.700 0.362 0.000 2.603 435 S HA 0.457 4.927 4.470 -0.000 0.000 0.268 435 S C -1.276 173.536 174.600 0.353 0.000 1.317 435 S CA -0.318 58.041 58.200 0.265 0.000 1.012 435 S CB 0.406 63.727 63.200 0.203 0.000 0.926 435 S HN 0.374 nan 8.310 nan 0.000 0.539 436 F N 1.887 121.900 119.950 0.106 0.000 2.467 436 F HA 0.579 5.106 4.527 -0.000 0.000 0.336 436 F C -0.024 175.818 175.800 0.071 0.000 1.123 436 F CA -0.452 57.606 58.000 0.096 0.000 0.964 436 F CB 1.504 40.527 39.000 0.039 0.000 1.136 436 F HN 0.421 nan 8.300 nan 0.000 0.447 437 S N 7.412 122.776 115.700 -0.562 0.000 2.446 437 S HA 0.675 5.145 4.470 -0.000 0.000 0.230 437 S C -2.065 172.169 174.600 -0.610 0.000 1.051 437 S CA -0.402 57.529 58.200 -0.448 0.000 1.113 437 S CB 0.171 63.343 63.200 -0.047 0.000 1.184 437 S HN 0.754 nan 8.310 nan 0.000 0.435 438 L N 3.012 123.652 121.223 -0.973 0.000 2.540 438 L HA 0.685 5.025 4.340 -0.000 0.000 0.256 438 L C -0.688 175.920 176.870 -0.437 0.000 1.001 438 L CA -0.040 54.437 54.840 -0.605 0.000 0.843 438 L CB 2.304 43.947 42.059 -0.694 0.000 1.436 438 L HN 0.466 nan 8.230 nan 0.000 0.410 439 T N 3.580 118.072 114.554 -0.103 0.000 2.744 439 T HA 0.704 5.054 4.350 -0.000 0.000 0.291 439 T C -0.627 174.051 174.700 -0.036 0.000 0.957 439 T CA -0.127 61.980 62.100 0.010 0.000 1.002 439 T CB 0.406 69.327 68.868 0.088 0.000 0.919 439 T HN 0.271 nan 8.240 nan 0.000 0.468 440 L N 2.653 123.894 121.223 0.031 0.000 2.319 440 L HA 0.604 4.944 4.340 -0.000 0.000 0.267 440 L C 0.054 176.887 176.870 -0.063 0.000 1.011 440 L CA -1.049 53.786 54.840 -0.009 0.000 0.818 440 L CB 1.481 43.586 42.059 0.077 0.000 1.316 440 L HN 0.404 nan 8.230 nan 0.000 0.432 441 Q N -0.227 119.536 119.800 -0.062 0.000 2.279 441 Q HA 0.322 4.662 4.340 -0.000 0.000 0.256 441 Q C 0.517 176.360 176.000 -0.261 0.000 0.937 441 Q CA 0.513 56.258 55.803 -0.096 0.000 0.933 441 Q CB 1.375 30.115 28.738 0.002 0.000 1.189 441 Q HN 0.783 nan 8.270 nan 0.000 0.417 442 T N 0.098 114.424 114.554 -0.379 0.000 3.046 442 T HA 0.331 4.681 4.350 -0.000 0.000 0.242 442 T C 1.246 175.854 174.700 -0.154 0.000 1.018 442 T CA 0.556 62.292 62.100 -0.606 0.000 1.131 442 T CB -0.097 68.329 68.868 -0.735 0.000 0.904 442 T HN 1.033 nan 8.240 nan 0.000 0.459 443 G N 1.100 109.849 108.800 -0.085 0.000 2.195 443 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.246 443 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.246 443 G C -0.242 174.656 174.900 -0.004 0.000 0.984 443 G CA 0.072 45.171 45.100 -0.002 0.000 0.633 443 G HN 0.593 nan 8.290 nan 0.000 0.525 444 L N 2.694 123.885 121.223 -0.053 0.000 2.357 444 L HA 0.589 4.929 4.340 -0.000 0.000 0.273 444 L C -1.115 175.768 176.870 0.021 0.000 1.080 444 L CA -2.068 52.755 54.840 -0.029 0.000 0.803 444 L CB 0.599 42.557 42.059 -0.169 0.000 1.174 444 L HN 0.006 nan 8.230 nan 0.000 0.443 445 P HA 0.180 nan 4.420 nan 0.000 0.274 445 P C -1.018 176.381 177.300 0.166 0.000 1.246 445 P CA -0.604 62.560 63.100 0.108 0.000 0.795 445 P CB 0.603 32.362 31.700 0.098 0.000 1.006 446 A N 0.740 123.623 122.820 0.106 0.000 2.520 446 A HA 0.508 4.828 4.320 -0.000 0.000 0.235 446 A C 0.819 178.480 177.584 0.128 0.000 1.065 446 A CA 1.075 53.178 52.037 0.110 0.000 0.764 446 A CB -1.077 17.956 19.000 0.055 0.000 1.002 446 A HN 0.930 nan 8.150 nan 0.000 0.502 447 G N -0.264 108.627 108.800 0.151 0.000 2.369 447 G HA2 0.430 4.390 3.960 -0.000 0.000 0.293 447 G HA3 0.430 4.390 3.960 -0.000 0.000 0.293 447 G C -0.724 174.238 174.900 0.103 0.000 1.301 447 G CA -0.217 44.915 45.100 0.053 0.000 0.913 447 G HN 1.039 nan 8.290 nan 0.000 0.540 448 T N 0.860 115.379 114.554 -0.060 0.000 2.771 448 T HA 0.651 5.001 4.350 -0.000 0.000 0.281 448 T C -1.230 173.333 174.700 -0.229 0.000 0.982 448 T CA 0.100 62.147 62.100 -0.089 0.000 0.978 448 T CB 0.853 69.683 68.868 -0.063 0.000 0.930 448 T HN 0.402 nan 8.240 nan 0.000 0.447 449 Y N 0.584 120.747 120.300 -0.227 0.000 2.446 449 Y HA 0.437 4.987 4.550 -0.000 0.000 0.345 449 Y C 0.353 176.133 175.900 -0.200 0.000 0.984 449 Y CA -1.160 56.831 58.100 -0.181 0.000 1.058 449 Y CB 1.096 39.474 38.460 -0.136 0.000 1.220 449 Y HN 0.601 nan 8.280 nan 0.000 0.455 450 c N 2.088 120.672 118.600 -0.025 0.000 2.452 450 c HA 0.212 4.782 4.570 -0.000 0.000 0.379 450 c C 0.297 174.367 174.090 -0.033 0.000 1.275 450 c CA -0.691 55.603 56.329 -0.059 0.000 2.056 450 c CB -0.057 42.409 42.510 -0.073 0.000 2.506 450 c HN 0.763 nan 8.230 nan 0.000 0.560 451 D N 1.400 121.776 120.400 -0.040 0.000 2.343 451 D HA 0.182 4.822 4.640 -0.000 0.000 0.255 451 D C 0.963 177.236 176.300 -0.045 0.000 1.187 451 D CA -0.344 53.636 54.000 -0.034 0.000 0.875 451 D CB 1.040 41.810 40.800 -0.051 0.000 1.136 451 D HN 0.425 nan 8.370 nan 0.000 0.469 452 V N 2.528 122.428 119.914 -0.023 0.000 3.573 452 V HA 0.004 4.124 4.120 -0.000 0.000 0.270 452 V C 1.459 177.526 176.094 -0.046 0.000 1.221 452 V CA 0.339 62.644 62.300 0.009 0.000 1.163 452 V CB -0.676 31.227 31.823 0.133 0.000 0.847 452 V HN 0.503 nan 8.190 nan 0.000 0.468 453 I N 2.119 122.594 120.570 -0.158 0.000 2.512 453 I HA -0.004 4.166 4.170 -0.000 0.000 0.247 453 I C 2.730 178.738 176.117 -0.182 0.000 1.094 453 I CA 1.882 63.014 61.300 -0.280 0.000 1.427 453 I CB -1.214 36.373 38.000 -0.687 0.000 1.149 453 I HN 0.559 nan 8.210 nan 0.000 0.438 454 S N -0.106 115.501 115.700 -0.155 0.000 2.496 454 S HA 0.261 4.731 4.470 -0.000 0.000 0.224 454 S C 1.036 175.604 174.600 -0.052 0.000 0.996 454 S CA 0.420 58.564 58.200 -0.094 0.000 0.927 454 S CB -0.129 63.022 63.200 -0.081 0.000 0.774 454 S HN 0.453 nan 8.310 nan 0.000 0.524 455 G N -0.413 108.360 108.800 -0.045 0.000 2.731 455 G HA2 0.557 4.517 3.960 -0.000 0.000 0.309 455 G HA3 0.557 4.517 3.960 -0.000 0.000 0.309 455 G C -2.215 172.681 174.900 -0.006 0.000 1.273 455 G CA -0.587 44.500 45.100 -0.021 0.000 0.798 455 G HN 0.166 nan 8.290 nan 0.000 0.509 456 D N -0.558 119.841 120.400 -0.001 0.000 2.552 456 D HA 0.353 4.992 4.640 -0.000 0.000 0.239 456 D C -0.989 175.306 176.300 -0.008 0.000 1.139 456 D CA -0.526 53.479 54.000 0.009 0.000 0.914 456 D CB 2.772 43.587 40.800 0.025 0.000 1.461 456 D HN 0.318 nan 8.370 nan 0.000 0.462 457 K N 1.975 122.369 120.400 -0.010 0.000 2.300 457 K HA 0.413 4.733 4.320 -0.000 0.000 0.264 457 K C -0.979 175.613 176.600 -0.013 0.000 1.083 457 K CA -0.343 55.928 56.287 -0.026 0.000 0.958 457 K CB 0.030 32.502 32.500 -0.046 0.000 1.318 457 K HN 0.361 nan 8.250 nan 0.000 0.448 458 I N 5.581 126.144 120.570 -0.012 0.000 2.382 458 I HA 0.081 4.251 4.170 -0.000 0.000 0.285 458 I C -0.037 176.074 176.117 -0.011 0.000 1.007 458 I CA -0.823 60.474 61.300 -0.005 0.000 1.142 458 I CB 1.258 39.259 38.000 0.003 0.000 1.289 458 I HN 0.780 nan 8.210 nan 0.000 0.453 459 N N 5.069 123.762 118.700 -0.012 0.000 2.629 459 N HA -0.239 4.501 4.740 -0.000 0.000 0.278 459 N C 0.555 176.053 175.510 -0.020 0.000 1.102 459 N CA 0.867 53.908 53.050 -0.014 0.000 0.759 459 N CB -1.313 37.169 38.487 -0.009 0.000 0.911 459 N HN 1.161 nan 8.380 nan 0.000 0.553 460 G N -0.534 108.249 108.800 -0.029 0.000 2.155 460 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.257 460 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.257 460 G C -0.132 174.747 174.900 -0.036 0.000 0.983 460 G CA 0.645 45.723 45.100 -0.036 0.000 0.676 460 G HN 0.921 nan 8.290 nan 0.000 0.528 461 N N -1.445 117.235 118.700 -0.033 0.000 2.494 461 N HA 0.565 5.305 4.740 -0.000 0.000 0.270 461 N C -0.570 174.919 175.510 -0.035 0.000 1.285 461 N CA 0.043 53.075 53.050 -0.031 0.000 0.812 461 N CB 1.580 40.056 38.487 -0.018 0.000 1.557 461 N HN 0.167 nan 8.380 nan 0.000 0.487 462 c N 0.248 118.826 118.600 -0.038 0.000 2.358 462 c HA 0.477 5.047 4.570 -0.000 0.000 0.342 462 c C 1.963 176.038 174.090 -0.026 0.000 1.234 462 c CA -0.529 55.776 56.329 -0.039 0.000 1.969 462 c CB 0.704 43.179 42.510 -0.058 0.000 2.346 462 c HN 0.832 nan 8.230 nan 0.000 0.525 463 T N -1.048 113.494 114.554 -0.021 0.000 3.065 463 T HA 0.317 4.667 4.350 -0.000 0.000 0.252 463 T C 0.812 175.503 174.700 -0.016 0.000 1.099 463 T CA 0.673 62.765 62.100 -0.013 0.000 1.063 463 T CB 0.115 68.980 68.868 -0.005 0.000 0.948 463 T HN 0.880 nan 8.240 nan 0.000 0.506 464 G N 0.918 109.703 108.800 -0.025 0.000 3.264 464 G HA2 0.654 4.614 3.960 -0.000 0.000 0.168 464 G HA3 0.654 4.614 3.960 -0.000 0.000 0.168 464 G C -0.756 174.123 174.900 -0.035 0.000 1.145 464 G CA -1.217 43.866 45.100 -0.029 0.000 0.855 464 G HN 0.397 nan 8.290 nan 0.000 0.629 465 I N 1.137 121.682 120.570 -0.041 0.000 2.692 465 I HA 0.179 4.349 4.170 -0.000 0.000 0.284 465 I C 0.139 176.204 176.117 -0.086 0.000 1.159 465 I CA 0.416 61.689 61.300 -0.046 0.000 1.423 465 I CB 0.893 38.875 38.000 -0.031 0.000 1.380 465 I HN 0.121 nan 8.210 nan 0.000 0.580 466 K N 6.388 126.706 120.400 -0.136 0.000 2.244 466 K HA 0.587 4.907 4.320 -0.000 0.000 0.260 466 K C -1.074 175.260 176.600 -0.443 0.000 0.951 466 K CA -0.763 55.346 56.287 -0.296 0.000 0.826 466 K CB 2.027 34.304 32.500 -0.371 0.000 1.108 466 K HN 0.340 nan 8.250 nan 0.000 0.433 467 I N 3.542 123.834 120.570 -0.464 0.000 2.406 467 I HA 0.255 4.424 4.170 -0.000 0.000 0.290 467 I C -0.805 175.014 176.117 -0.498 0.000 0.999 467 I CA -0.865 60.159 61.300 -0.460 0.000 1.124 467 I CB 1.042 38.822 38.000 -0.367 0.000 1.289 467 I HN 0.519 nan 8.210 nan 0.000 0.441 468 Y N 4.996 125.224 120.300 -0.119 0.000 2.342 468 Y HA 0.454 5.004 4.550 -0.000 0.000 0.338 468 Y C 0.298 176.142 175.900 -0.093 0.000 0.965 468 Y CA -0.881 57.185 58.100 -0.058 0.000 1.159 468 Y CB 1.433 39.857 38.460 -0.061 0.000 1.157 468 Y HN 0.186 nan 8.280 nan 0.000 0.486 469 V N 3.925 123.895 119.914 0.093 0.000 2.439 469 V HA 0.365 4.485 4.120 -0.000 0.000 0.282 469 V C 0.237 176.363 176.094 0.053 0.000 1.039 469 V CA -0.786 61.522 62.300 0.013 0.000 0.913 469 V CB 1.294 33.108 31.823 -0.015 0.000 0.983 469 V HN 0.914 nan 8.190 nan 0.000 0.460 470 S N 2.557 118.262 115.700 0.008 0.000 2.686 470 S HA 0.226 4.696 4.470 -0.000 0.000 0.270 470 S C 0.750 175.355 174.600 0.008 0.000 1.194 470 S CA -0.520 57.684 58.200 0.008 0.000 0.990 470 S CB 0.779 63.972 63.200 -0.011 0.000 1.029 470 S HN 0.657 nan 8.310 nan 0.000 0.560 471 D N 1.229 121.633 120.400 0.005 0.000 2.182 471 D HA -0.099 4.541 4.640 -0.000 0.000 0.201 471 D C 1.131 177.432 176.300 0.003 0.000 0.986 471 D CA 1.489 55.493 54.000 0.006 0.000 0.847 471 D CB -0.394 40.408 40.800 0.003 0.000 0.942 471 D HN 0.829 nan 8.370 nan 0.000 0.467 472 D N -1.090 119.308 120.400 -0.005 0.000 2.325 472 D HA 0.118 4.758 4.640 -0.000 0.000 0.225 472 D C 1.447 177.737 176.300 -0.017 0.000 1.096 472 D CA 0.593 54.589 54.000 -0.006 0.000 0.844 472 D CB 0.112 40.909 40.800 -0.005 0.000 0.925 472 D HN 0.231 nan 8.370 nan 0.000 0.513 473 G N 0.677 109.460 108.800 -0.027 0.000 2.205 473 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.261 473 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.261 473 G C 0.255 175.094 174.900 -0.102 0.000 0.980 473 G CA 0.132 45.196 45.100 -0.060 0.000 0.632 473 G HN 0.436 nan 8.290 nan 0.000 0.533 474 K N 0.709 121.065 120.400 -0.073 0.000 2.237 474 K HA 0.648 4.968 4.320 -0.000 0.000 0.270 474 K C 0.208 176.748 176.600 -0.099 0.000 1.015 474 K CA 0.484 56.723 56.287 -0.079 0.000 0.949 474 K CB 1.309 33.784 32.500 -0.042 0.000 0.976 474 K HN 0.833 nan 8.250 nan 0.000 0.472 475 A N 2.057 124.807 122.820 -0.117 0.000 2.517 475 A HA 0.252 4.572 4.320 -0.000 0.000 0.297 475 A C -1.839 175.613 177.584 -0.221 0.000 1.050 475 A CA -0.725 51.181 52.037 -0.218 0.000 0.694 475 A CB 0.906 19.654 19.000 -0.421 0.000 1.277 475 A HN 0.840 nan 8.150 nan 0.000 0.400 476 H N 0.714 119.597 119.070 -0.312 0.000 2.620 476 H HA 0.666 5.222 4.556 -0.000 0.000 0.313 476 H C -1.463 173.642 175.328 -0.370 0.000 1.075 476 H CA 0.226 56.144 56.048 -0.217 0.000 1.397 476 H CB 0.331 30.016 29.762 -0.128 0.000 1.446 476 H HN 0.429 nan 8.280 nan 0.000 0.493 477 F N 2.511 122.223 119.950 -0.397 0.000 2.507 477 F HA 0.335 4.862 4.527 0.000 0.000 0.325 477 F C -0.007 175.640 175.800 -0.254 0.000 1.116 477 F CA -0.654 57.254 58.000 -0.155 0.000 0.930 477 F CB 2.075 41.125 39.000 0.084 0.000 1.146 477 F HN 0.407 nan 8.300 nan 0.000 0.447 478 S N 4.996 120.768 115.700 0.119 0.000 2.733 478 S HA 0.721 5.191 4.470 -0.000 0.000 0.307 478 S C -1.006 173.698 174.600 0.173 0.000 1.127 478 S CA -0.377 57.885 58.200 0.103 0.000 1.097 478 S CB 0.030 63.299 63.200 0.115 0.000 1.003 478 S HN 0.503 nan 8.310 nan 0.000 0.477 479 I N 3.227 123.940 120.570 0.237 0.000 2.436 479 I HA 0.387 4.557 4.170 -0.000 0.000 0.289 479 I C 0.174 176.391 176.117 0.166 0.000 1.010 479 I CA -0.641 60.773 61.300 0.190 0.000 1.098 479 I CB 2.117 40.225 38.000 0.180 0.000 1.266 479 I HN 0.483 nan 8.210 nan 0.000 0.434 480 S N 4.022 119.790 115.700 0.113 0.000 2.585 480 S HA 0.193 4.663 4.470 -0.000 0.000 0.277 480 S C 1.173 175.818 174.600 0.075 0.000 1.241 480 S CA -0.769 57.490 58.200 0.099 0.000 1.041 480 S CB 0.723 63.972 63.200 0.081 0.000 0.987 480 S HN 0.768 nan 8.310 nan 0.000 0.512 481 N N 2.580 121.319 118.700 0.066 0.000 2.521 481 N HA -0.020 4.719 4.740 -0.000 0.000 0.188 481 N C 0.614 176.149 175.510 0.042 0.000 1.146 481 N CA 0.298 53.368 53.050 0.034 0.000 0.893 481 N CB -0.031 38.466 38.487 0.018 0.000 0.975 481 N HN 0.345 nan 8.380 nan 0.000 0.451 482 S N -0.237 115.494 115.700 0.053 0.000 2.524 482 S HA 0.317 4.787 4.470 -0.000 0.000 0.215 482 S C 0.906 175.532 174.600 0.044 0.000 0.986 482 S CA -0.380 57.848 58.200 0.047 0.000 0.911 482 S CB 0.252 63.482 63.200 0.049 0.000 0.805 482 S HN 0.609 nan 8.310 nan 0.000 0.501 483 A N 1.570 124.418 122.820 0.047 0.000 2.483 483 A HA 0.222 4.542 4.320 -0.000 0.000 0.238 483 A C 1.305 178.915 177.584 0.044 0.000 1.070 483 A CA -0.124 51.938 52.037 0.041 0.000 0.770 483 A CB 0.120 19.145 19.000 0.042 0.000 1.008 483 A HN 0.212 nan 8.150 nan 0.000 0.497 484 E N 0.606 120.825 120.200 0.031 0.000 2.153 484 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 484 E C -0.399 176.240 176.600 0.065 0.000 0.988 484 E CA 1.663 58.083 56.400 0.034 0.000 0.811 484 E CB 0.144 29.851 29.700 0.010 0.000 0.746 484 E HN 0.636 nan 8.360 nan 0.000 0.466 485 D N -0.101 120.334 120.400 0.058 0.000 2.421 485 D HA 0.120 4.759 4.640 -0.000 0.000 0.254 485 D C -2.315 174.061 176.300 0.126 0.000 1.238 485 D CA -1.402 52.669 54.000 0.117 0.000 0.919 485 D CB 1.730 42.500 40.800 -0.050 0.000 1.152 485 D HN 0.085 nan 8.370 nan 0.000 0.552 486 P HA 0.071 nan 4.420 nan 0.000 0.269 486 P C -0.688 176.759 177.300 0.246 0.000 1.601 486 P CA -0.111 63.093 63.100 0.174 0.000 0.831 486 P CB -0.795 30.972 31.700 0.113 0.000 1.688 487 F N -1.419 118.473 119.950 -0.095 0.000 2.619 487 F HA 0.658 5.185 4.527 0.000 0.000 0.308 487 F C -1.508 174.147 175.800 -0.241 0.000 1.097 487 F CA -2.320 55.526 58.000 -0.258 0.000 0.953 487 F CB 0.823 39.578 39.000 -0.408 0.000 1.287 487 F HN -0.320 nan 8.300 nan 0.000 0.446 488 I N 2.612 123.004 120.570 -0.295 0.000 2.465 488 I HA 0.779 4.949 4.170 -0.000 0.000 0.291 488 I C -0.759 175.195 176.117 -0.272 0.000 1.014 488 I CA -1.173 59.981 61.300 -0.245 0.000 1.093 488 I CB 2.025 40.038 38.000 0.021 0.000 1.267 488 I HN 1.001 nan 8.210 nan 0.000 0.431 489 A N 7.757 130.459 122.820 -0.197 0.000 2.359 489 A HA 0.872 5.192 4.320 -0.000 0.000 0.303 489 A C -0.833 176.828 177.584 0.129 0.000 1.066 489 A CA -0.474 51.500 52.037 -0.105 0.000 0.730 489 A CB 1.141 19.978 19.000 -0.271 0.000 1.211 489 A HN 0.717 nan 8.150 nan 0.000 0.439 490 I N 0.353 121.086 120.570 0.272 0.000 2.608 490 I HA 0.915 5.085 4.170 -0.000 0.000 0.295 490 I C -0.548 175.751 176.117 0.303 0.000 1.049 490 I CA -0.884 60.545 61.300 0.215 0.000 1.063 490 I CB 2.209 40.259 38.000 0.084 0.000 1.248 490 I HN 0.914 nan 8.210 nan 0.000 0.424 491 H N 3.000 122.192 119.070 0.204 0.000 2.960 491 H HA 0.769 5.325 4.556 -0.000 0.000 0.338 491 H C 0.483 175.922 175.328 0.184 0.000 1.261 491 H CA -0.449 55.620 56.048 0.036 0.000 1.136 491 H CB 1.345 30.954 29.762 -0.255 0.000 1.875 491 H HN 0.626 nan 8.280 nan 0.000 0.550 492 A N 0.022 123.003 122.820 0.269 0.000 1.978 492 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 492 A C 1.517 179.174 177.584 0.122 0.000 1.170 492 A CA 1.806 53.966 52.037 0.204 0.000 0.636 492 A CB -0.596 18.471 19.000 0.111 0.000 0.810 492 A HN 0.725 nan 8.150 nan 0.000 0.448 493 E N -0.204 120.143 120.200 0.245 0.000 2.479 493 E HA -0.000 4.350 4.350 -0.000 0.000 0.193 493 E C 1.552 178.121 176.600 -0.052 0.000 1.049 493 E CA 0.837 57.315 56.400 0.131 0.000 0.870 493 E CB 0.038 29.875 29.700 0.228 0.000 0.944 493 E HN 0.719 nan 8.360 nan 0.000 0.492 494 S N -0.214 115.302 115.700 -0.306 0.000 2.557 494 S HA 0.132 4.602 4.470 -0.000 0.000 0.223 494 S C 0.795 175.266 174.600 -0.215 0.000 0.969 494 S CA -0.373 57.639 58.200 -0.313 0.000 0.927 494 S CB 0.220 63.115 63.200 -0.509 0.000 0.806 494 S HN -0.055 nan 8.310 nan 0.000 0.489 495 K N 1.115 121.342 120.400 -0.288 0.000 2.298 495 K HA 0.309 4.629 4.320 -0.000 0.000 0.280 495 K C -0.420 175.980 176.600 -0.333 0.000 1.032 495 K CA -0.610 55.340 56.287 -0.561 0.000 0.958 495 K CB 0.398 32.469 32.500 -0.715 0.000 0.978 495 K HN 0.146 nan 8.250 nan 0.000 0.472 496 L N 0.000 121.031 121.223 -0.320 0.000 2.949 496 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 496 L CA 0.000 54.727 54.840 -0.188 0.000 0.813 496 L CB 0.000 41.972 42.059 -0.144 0.000 0.961 496 L HN 0.000 nan 8.230 nan 0.000 0.502