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 2xe2_1_C DATA FIRST_RESID 1 DATA SEQUENCE AEIYNKDGNK LDLYGKVDGL HYFSDNDSKD GDKTYMRLGF KGETQVTDQL DATA SEQUENCE TGYGQWEYQI QGNEPESDNS SWTRVAFAGL KFQDVGSFDY GRNYGVVYDV DATA SEQUENCE TSWTDVLPEF GGDTYDSDNF MQQRGNGFAT YRNTDFFGLV DGLDFAVQYQ DATA SEQUENCE GKNGSAHGEG MTTNGRDDVF EQNGDGVGGS ITYNYEGFGI GAAVSSSKRT DATA SEQUENCE WDQNNTGLIG TGDRAETYTG GLKYDANNIY LAAQYTQTYN ATRVGSLGWA DATA SEQUENCE NKAQNFEAVA QYQFDFGLRP SLAYLQSKGK NLGRGYDDED ILKYVDVGAT DATA SEQUENCE YYFNKNMSTY VDYKINLLDD NRFTRDAGIN TDDIVALGLV YQF 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.715 177.584 0.219 0.000 1.274 1 A CA 0.000 52.191 52.037 0.256 0.000 0.836 1 A CB 0.000 19.187 19.000 0.312 0.000 0.831 2 E N 2.221 122.513 120.200 0.153 0.000 2.104 2 E HA 0.343 4.692 4.350 -0.000 0.000 0.278 2 E C 0.614 177.296 176.600 0.137 0.000 1.127 2 E CA -0.023 56.460 56.400 0.138 0.000 0.897 2 E CB 0.014 29.769 29.700 0.091 0.000 1.043 2 E HN 0.637 nan 8.360 nan 0.000 0.410 3 I N 2.269 122.942 120.570 0.170 0.000 3.956 3 I HA 0.326 4.495 4.170 -0.000 0.000 0.333 3 I C -0.574 175.674 176.117 0.219 0.000 1.302 3 I CA -0.489 60.908 61.300 0.162 0.000 1.122 3 I CB 0.230 38.324 38.000 0.156 0.000 1.013 3 I HN 0.344 nan 8.210 nan 0.000 0.405 4 Y N 1.641 121.970 120.300 0.048 0.000 2.424 4 Y HA 0.527 5.077 4.550 -0.000 0.000 0.323 4 Y C -1.853 174.067 175.900 0.034 0.000 1.174 4 Y CA -1.102 57.017 58.100 0.031 0.000 1.060 4 Y CB 1.349 39.819 38.460 0.018 0.000 1.314 4 Y HN 0.112 nan 8.280 nan 0.000 0.439 5 N N 5.521 123.931 118.700 -0.483 0.000 2.812 5 N HA 0.281 5.021 4.740 -0.000 0.000 0.262 5 N C -2.217 173.037 175.510 -0.427 0.000 1.241 5 N CA -0.385 52.491 53.050 -0.291 0.000 0.854 5 N CB 1.376 39.796 38.487 -0.112 0.000 1.506 5 N HN 0.794 nan 8.380 nan 0.000 0.576 6 K N 2.066 122.225 120.400 -0.401 0.000 2.569 6 K HA 0.211 4.531 4.320 -0.000 0.000 0.259 6 K C -1.216 175.330 176.600 -0.090 0.000 0.932 6 K CA -0.366 55.736 56.287 -0.308 0.000 0.833 6 K CB 0.803 32.979 32.500 -0.539 0.000 1.340 6 K HN 0.330 nan 8.250 nan 0.000 0.429 7 D N 2.810 123.183 120.400 -0.045 0.000 2.692 7 D HA -0.217 4.423 4.640 -0.000 0.000 0.233 7 D C 0.678 176.996 176.300 0.030 0.000 1.172 7 D CA 2.181 56.184 54.000 0.006 0.000 0.636 7 D CB -1.057 39.760 40.800 0.028 0.000 1.028 7 D HN 1.058 nan 8.370 nan 0.000 0.419 8 G N -0.495 108.317 108.800 0.021 0.000 2.199 8 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.254 8 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.254 8 G C 0.163 175.103 174.900 0.067 0.000 0.982 8 G CA 0.315 45.439 45.100 0.039 0.000 0.632 8 G HN 0.669 nan 8.290 nan 0.000 0.529 9 N N 0.397 119.153 118.700 0.093 0.000 2.284 9 N HA 0.632 5.372 4.740 -0.000 0.000 0.300 9 N C -0.410 175.201 175.510 0.169 0.000 1.047 9 N CA -0.511 52.627 53.050 0.147 0.000 0.821 9 N CB 1.019 39.621 38.487 0.192 0.000 1.337 9 N HN 0.575 nan 8.380 nan 0.000 0.482 10 K N 1.488 121.989 120.400 0.168 0.000 2.385 10 K HA 0.722 5.042 4.320 -0.000 0.000 0.248 10 K C -1.704 175.027 176.600 0.218 0.000 0.955 10 K CA -1.024 55.373 56.287 0.183 0.000 0.816 10 K CB 2.078 34.637 32.500 0.098 0.000 1.250 10 K HN 0.336 nan 8.250 nan 0.000 0.434 11 L N 1.662 123.031 121.223 0.244 0.000 2.441 11 L HA 0.338 4.678 4.340 -0.000 0.000 0.270 11 L C -1.859 175.147 176.870 0.227 0.000 0.973 11 L CA -0.193 54.778 54.840 0.218 0.000 0.842 11 L CB 1.877 44.023 42.059 0.146 0.000 1.239 11 L HN 0.829 nan 8.230 nan 0.000 0.406 12 D N 4.431 124.984 120.400 0.255 0.000 2.359 12 D HA 0.300 4.940 4.640 -0.000 0.000 0.230 12 D C -1.128 175.406 176.300 0.390 0.000 1.118 12 D CA -0.142 54.023 54.000 0.275 0.000 0.844 12 D CB 1.095 42.023 40.800 0.215 0.000 1.059 12 D HN 0.472 nan 8.370 nan 0.000 0.493 13 L N 6.378 127.816 121.223 0.357 0.000 2.264 13 L HA 0.421 4.761 4.340 -0.000 0.000 0.289 13 L C -1.284 175.834 176.870 0.413 0.000 1.044 13 L CA -0.442 54.624 54.840 0.376 0.000 0.807 13 L CB 0.196 42.453 42.059 0.330 0.000 1.192 13 L HN 0.376 nan 8.230 nan 0.000 0.425 14 Y N 3.095 123.448 120.300 0.089 0.000 2.634 14 Y HA 1.027 5.577 4.550 -0.000 0.000 0.340 14 Y C -0.055 175.483 175.900 -0.603 0.000 1.058 14 Y CA -0.762 57.146 58.100 -0.320 0.000 1.081 14 Y CB 1.450 39.781 38.460 -0.214 0.000 1.295 14 Y HN 0.776 nan 8.280 nan 0.000 0.487 15 G N 0.697 108.898 108.800 -0.999 0.000 2.322 15 G HA2 0.517 4.477 3.960 -0.000 0.000 0.295 15 G HA3 0.517 4.477 3.960 -0.000 0.000 0.295 15 G C -2.257 172.314 174.900 -0.548 0.000 1.369 15 G CA -0.875 43.803 45.100 -0.704 0.000 0.821 15 G HN 1.102 nan 8.290 nan 0.000 0.536 16 K N -1.889 118.402 120.400 -0.182 0.000 2.575 16 K HA 0.730 5.050 4.320 -0.000 0.000 0.279 16 K C -1.773 174.830 176.600 0.006 0.000 0.969 16 K CA -1.037 55.221 56.287 -0.048 0.000 0.868 16 K CB 2.069 34.524 32.500 -0.075 0.000 1.457 16 K HN 0.628 nan 8.250 nan 0.000 0.426 17 V N 1.437 121.386 119.914 0.058 0.000 2.378 17 V HA 0.276 4.396 4.120 -0.000 0.000 0.288 17 V C -1.151 174.874 176.094 -0.115 0.000 1.016 17 V CA -0.507 61.774 62.300 -0.031 0.000 0.840 17 V CB 1.385 33.248 31.823 0.067 0.000 0.994 17 V HN 0.822 nan 8.190 nan 0.000 0.431 18 D N 4.225 124.415 120.400 -0.351 0.000 2.454 18 D HA 0.348 4.988 4.640 -0.000 0.000 0.225 18 D C 0.505 176.671 176.300 -0.224 0.000 1.081 18 D CA -0.146 53.661 54.000 -0.322 0.000 0.864 18 D CB 1.694 42.145 40.800 -0.581 0.000 1.040 18 D HN 0.671 nan 8.370 nan 0.000 0.517 19 G N 3.333 112.072 108.800 -0.103 0.000 2.389 19 G HA2 0.401 4.361 3.960 -0.000 0.000 0.287 19 G HA3 0.401 4.361 3.960 -0.000 0.000 0.287 19 G C -0.572 174.304 174.900 -0.040 0.000 1.126 19 G CA -0.121 44.947 45.100 -0.055 0.000 1.073 19 G HN 0.411 nan 8.290 nan 0.000 0.429 20 L N 2.425 123.651 121.223 0.005 0.000 2.431 20 L HA 0.709 5.048 4.340 -0.000 0.000 0.266 20 L C -1.097 175.836 176.870 0.105 0.000 0.978 20 L CA -1.197 53.682 54.840 0.066 0.000 0.822 20 L CB 2.336 44.475 42.059 0.134 0.000 1.310 20 L HN 0.633 nan 8.230 nan 0.000 0.409 21 H N 2.852 121.951 119.070 0.048 0.000 2.771 21 H HA 0.612 5.168 4.556 -0.000 0.000 0.361 21 H C -1.721 173.649 175.328 0.070 0.000 1.108 21 H CA -0.342 55.676 56.048 -0.050 0.000 1.201 21 H CB 1.281 30.924 29.762 -0.200 0.000 1.681 21 H HN 0.492 nan 8.280 nan 0.000 0.534 22 Y N 4.055 124.042 120.300 -0.522 0.000 2.360 22 Y HA 0.334 4.884 4.550 -0.000 0.000 0.337 22 Y C -0.897 174.764 175.900 -0.398 0.000 1.039 22 Y CA -1.077 56.881 58.100 -0.236 0.000 1.109 22 Y CB 0.738 39.125 38.460 -0.122 0.000 1.201 22 Y HN 0.506 nan 8.280 nan 0.000 0.458 23 F N 1.730 121.815 119.950 0.224 0.000 2.427 23 F HA 0.558 5.085 4.527 -0.000 0.000 0.348 23 F C 0.196 176.049 175.800 0.090 0.000 1.125 23 F CA -0.462 57.634 58.000 0.160 0.000 0.989 23 F CB 1.872 40.946 39.000 0.123 0.000 1.165 23 F HN 0.302 nan 8.300 nan 0.000 0.442 24 S N 1.572 117.400 115.700 0.213 0.000 2.537 24 S HA 0.276 4.746 4.470 -0.000 0.000 0.270 24 S C 0.061 174.719 174.600 0.097 0.000 1.142 24 S CA -0.743 57.534 58.200 0.129 0.000 0.870 24 S CB 1.304 64.559 63.200 0.092 0.000 1.112 24 S HN 0.577 nan 8.310 nan 0.000 0.466 25 D N 1.639 122.081 120.400 0.071 0.000 2.219 25 D HA -0.036 4.604 4.640 -0.000 0.000 0.205 25 D C 0.477 176.798 176.300 0.035 0.000 0.970 25 D CA 0.855 54.886 54.000 0.052 0.000 0.851 25 D CB -0.202 40.623 40.800 0.041 0.000 0.943 25 D HN 0.496 nan 8.370 nan 0.000 0.488 26 N N 1.896 120.612 118.700 0.027 0.000 2.416 26 N HA -0.064 4.676 4.740 -0.000 0.000 0.265 26 N C 0.358 175.879 175.510 0.018 0.000 1.195 26 N CA 0.059 53.117 53.050 0.013 0.000 0.943 26 N CB 0.834 39.320 38.487 -0.001 0.000 1.115 26 N HN -0.157 nan 8.380 nan 0.000 0.481 27 D N 1.216 121.622 120.400 0.011 0.000 2.182 27 D HA -0.173 4.467 4.640 -0.000 0.000 0.201 27 D C 1.507 177.803 176.300 -0.007 0.000 0.986 27 D CA 1.357 55.360 54.000 0.006 0.000 0.847 27 D CB -0.077 40.724 40.800 0.001 0.000 0.942 27 D HN 0.700 nan 8.370 nan 0.000 0.467 28 S N -0.388 115.305 115.700 -0.012 0.000 2.515 28 S HA -0.030 4.439 4.470 -0.000 0.000 0.231 28 S C 1.335 175.927 174.600 -0.013 0.000 0.987 28 S CA 0.520 58.705 58.200 -0.024 0.000 0.936 28 S CB 0.131 63.311 63.200 -0.033 0.000 0.766 28 S HN 0.008 nan 8.310 nan 0.000 0.528 29 K N 1.281 121.694 120.400 0.022 0.000 2.537 29 K HA 0.355 4.675 4.320 -0.000 0.000 0.206 29 K C -0.951 175.725 176.600 0.126 0.000 1.041 29 K CA 0.000 56.347 56.287 0.100 0.000 1.090 29 K CB 0.236 32.808 32.500 0.120 0.000 0.833 29 K HN 0.506 nan 8.250 nan 0.000 0.493 30 D N -0.204 120.209 120.400 0.021 0.000 2.502 30 D HA 0.554 5.194 4.640 -0.000 0.000 0.249 30 D C 0.114 176.319 176.300 -0.159 0.000 1.092 30 D CA -0.048 53.937 54.000 -0.025 0.000 0.839 30 D CB 1.246 42.059 40.800 0.021 0.000 1.264 30 D HN 0.228 nan 8.370 nan 0.000 0.511 31 G N 2.934 111.491 108.800 -0.404 0.000 2.316 31 G HA2 0.037 3.997 3.960 -0.000 0.000 0.349 31 G HA3 0.037 3.997 3.960 -0.000 0.000 0.349 31 G C -1.126 173.267 174.900 -0.846 0.000 1.274 31 G CA -0.719 44.029 45.100 -0.587 0.000 1.018 31 G HN 0.622 nan 8.290 nan 0.000 0.486 32 D N 0.198 120.321 120.400 -0.462 0.000 2.450 32 D HA 0.429 5.069 4.640 -0.000 0.000 0.247 32 D C 0.832 176.980 176.300 -0.253 0.000 1.162 32 D CA 0.280 54.129 54.000 -0.252 0.000 0.879 32 D CB 0.694 41.460 40.800 -0.057 0.000 1.163 32 D HN 0.355 nan 8.370 nan 0.000 0.472 33 K N 2.455 122.720 120.400 -0.226 0.000 2.506 33 K HA 0.119 4.439 4.320 -0.000 0.000 0.204 33 K C -0.233 176.370 176.600 0.005 0.000 1.045 33 K CA -0.291 55.866 56.287 -0.217 0.000 1.074 33 K CB 0.419 32.599 32.500 -0.533 0.000 0.842 33 K HN 0.427 nan 8.250 nan 0.000 0.514 34 T N 2.438 116.997 114.554 0.009 0.000 2.933 34 T HA 0.018 4.368 4.350 -0.000 0.000 0.306 34 T C -0.085 174.676 174.700 0.102 0.000 1.045 34 T CA 0.854 62.969 62.100 0.025 0.000 1.143 34 T CB -0.159 68.705 68.868 -0.008 0.000 1.003 34 T HN 0.289 nan 8.240 nan 0.000 0.540 35 Y N 0.738 121.015 120.300 -0.037 0.000 2.689 35 Y HA 0.688 5.238 4.550 -0.000 0.000 0.333 35 Y C -1.124 174.746 175.900 -0.050 0.000 1.208 35 Y CA -1.948 56.113 58.100 -0.066 0.000 1.055 35 Y CB 1.196 39.604 38.460 -0.086 0.000 1.304 35 Y HN 0.626 nan 8.280 nan 0.000 0.455 36 M N 0.918 120.539 119.600 0.034 0.000 2.619 36 M HA 0.769 5.249 4.480 -0.000 0.000 0.297 36 M C -1.820 174.508 176.300 0.046 0.000 1.229 36 M CA -0.831 54.447 55.300 -0.038 0.000 0.860 36 M CB 2.810 35.399 32.600 -0.018 0.000 1.741 36 M HN 0.693 nan 8.290 nan 0.000 0.462 37 R N 0.943 121.440 120.500 -0.006 0.000 2.750 37 R HA 0.894 5.234 4.340 -0.000 0.000 0.281 37 R C -1.929 174.276 176.300 -0.159 0.000 0.972 37 R CA -0.980 55.068 56.100 -0.086 0.000 0.912 37 R CB 2.335 32.618 30.300 -0.028 0.000 1.187 37 R HN 0.784 nan 8.270 nan 0.000 0.464 38 L N 0.490 121.556 121.223 -0.262 0.000 2.422 38 L HA 0.816 5.156 4.340 -0.000 0.000 0.264 38 L C -0.918 175.563 176.870 -0.649 0.000 0.984 38 L CA -0.013 54.639 54.840 -0.313 0.000 0.819 38 L CB 2.434 44.459 42.059 -0.057 0.000 1.330 38 L HN 0.770 nan 8.230 nan 0.000 0.410 39 G N 2.356 110.656 108.800 -0.834 0.000 2.623 39 G HA2 0.616 4.576 3.960 -0.000 0.000 0.290 39 G HA3 0.616 4.576 3.960 -0.000 0.000 0.290 39 G C -2.017 172.571 174.900 -0.521 0.000 1.437 39 G CA -0.459 44.059 45.100 -0.971 0.000 0.798 39 G HN 0.684 nan 8.290 nan 0.000 0.488 40 F N -1.042 118.916 119.950 0.013 0.000 2.565 40 F HA 0.851 5.378 4.527 -0.000 0.000 0.313 40 F C -0.656 175.341 175.800 0.328 0.000 1.091 40 F CA -1.606 56.529 58.000 0.225 0.000 0.915 40 F CB 2.256 41.376 39.000 0.200 0.000 1.208 40 F HN 0.312 nan 8.300 nan 0.000 0.453 41 K N 2.245 122.981 120.400 0.559 0.000 2.425 41 K HA 0.610 4.930 4.320 -0.000 0.000 0.259 41 K C -0.397 176.425 176.600 0.371 0.000 0.978 41 K CA -0.743 55.765 56.287 0.368 0.000 0.883 41 K CB 1.771 34.397 32.500 0.209 0.000 1.110 41 K HN 1.063 nan 8.250 nan 0.000 0.436 42 G N 2.140 111.175 108.800 0.391 0.000 2.400 42 G HA2 0.415 4.375 3.960 -0.000 0.000 0.333 42 G HA3 0.415 4.375 3.960 -0.000 0.000 0.333 42 G C -1.262 173.793 174.900 0.258 0.000 1.143 42 G CA -0.257 45.014 45.100 0.286 0.000 0.914 42 G HN 0.593 nan 8.290 nan 0.000 0.480 43 E N 0.017 120.342 120.200 0.208 0.000 2.311 43 E HA 0.484 4.834 4.350 -0.000 0.000 0.281 43 E C -1.621 175.074 176.600 0.159 0.000 0.905 43 E CA -0.655 55.868 56.400 0.204 0.000 0.778 43 E CB 2.229 32.026 29.700 0.161 0.000 1.240 43 E HN 0.440 nan 8.360 nan 0.000 0.410 44 T N 3.209 117.856 114.554 0.156 0.000 2.848 44 T HA 0.235 4.585 4.350 -0.000 0.000 0.285 44 T C -1.039 173.724 174.700 0.106 0.000 0.995 44 T CA -0.643 61.529 62.100 0.120 0.000 0.970 44 T CB 1.353 70.285 68.868 0.107 0.000 0.976 44 T HN 0.385 nan 8.240 nan 0.000 0.441 45 Q N 4.434 124.282 119.800 0.079 0.000 2.344 45 Q HA 0.202 4.542 4.340 -0.000 0.000 0.253 45 Q C 1.166 177.202 176.000 0.060 0.000 1.050 45 Q CA -0.068 55.771 55.803 0.061 0.000 0.912 45 Q CB 1.444 30.206 28.738 0.039 0.000 1.258 45 Q HN 0.622 nan 8.270 nan 0.000 0.443 46 V N 2.216 122.172 119.914 0.069 0.000 2.302 46 V HA -0.095 4.025 4.120 -0.000 0.000 0.243 46 V C 1.316 177.445 176.094 0.058 0.000 1.036 46 V CA 2.103 64.445 62.300 0.070 0.000 1.020 46 V CB -0.160 31.717 31.823 0.091 0.000 0.657 46 V HN 0.822 nan 8.190 nan 0.000 0.453 47 T N -3.528 111.056 114.554 0.049 0.000 2.693 47 T HA 0.252 4.602 4.350 -0.000 0.000 0.278 47 T C 0.488 175.183 174.700 -0.009 0.000 0.994 47 T CA -0.094 62.024 62.100 0.031 0.000 1.033 47 T CB 1.250 70.151 68.868 0.055 0.000 1.342 47 T HN 0.136 nan 8.240 nan 0.000 0.538 48 D N 0.339 120.725 120.400 -0.023 0.000 2.149 48 D HA -0.111 4.529 4.640 -0.000 0.000 0.198 48 D C 1.642 177.871 176.300 -0.118 0.000 0.990 48 D CA 1.506 55.475 54.000 -0.050 0.000 0.839 48 D CB -0.042 40.735 40.800 -0.038 0.000 0.948 48 D HN 0.702 nan 8.370 nan 0.000 0.460 49 Q N -0.884 118.784 119.800 -0.219 0.000 2.214 49 Q HA 0.228 4.568 4.340 -0.000 0.000 0.229 49 Q C -0.075 175.593 176.000 -0.553 0.000 0.835 49 Q CA -0.292 55.227 55.803 -0.473 0.000 0.953 49 Q CB 1.336 29.587 28.738 -0.812 0.000 1.131 49 Q HN 0.071 nan 8.270 nan 0.000 0.501 50 L N 1.991 123.075 121.223 -0.233 0.000 2.305 50 L HA 0.470 4.810 4.340 -0.000 0.000 0.284 50 L C -0.683 176.229 176.870 0.070 0.000 1.013 50 L CA -0.043 54.802 54.840 0.009 0.000 0.819 50 L CB 1.767 43.959 42.059 0.222 0.000 1.227 50 L HN 0.038 nan 8.230 nan 0.000 0.417 51 T N 1.378 116.006 114.554 0.124 0.000 2.861 51 T HA 0.841 5.191 4.350 -0.000 0.000 0.287 51 T C -0.023 174.822 174.700 0.241 0.000 1.003 51 T CA -0.399 61.795 62.100 0.157 0.000 0.977 51 T CB 1.548 70.499 68.868 0.138 0.000 0.996 51 T HN 0.829 nan 8.240 nan 0.000 0.448 52 G N 1.754 110.677 108.800 0.204 0.000 2.389 52 G HA2 0.665 4.625 3.960 -0.000 0.000 0.317 52 G HA3 0.665 4.625 3.960 -0.000 0.000 0.317 52 G C -1.285 173.773 174.900 0.264 0.000 1.137 52 G CA -1.013 44.191 45.100 0.173 0.000 0.870 52 G HN 1.003 nan 8.290 nan 0.000 0.496 53 Y N -1.212 119.175 120.300 0.145 0.000 2.597 53 Y HA 0.804 5.354 4.550 -0.000 0.000 0.340 53 Y C -0.119 175.879 175.900 0.164 0.000 1.097 53 Y CA -1.527 56.665 58.100 0.153 0.000 1.037 53 Y CB 1.420 39.977 38.460 0.162 0.000 1.305 53 Y HN 0.876 nan 8.280 nan 0.000 0.463 54 G N 1.115 110.095 108.800 0.299 0.000 2.719 54 G HA2 0.534 4.494 3.960 -0.000 0.000 0.298 54 G HA3 0.534 4.494 3.960 -0.000 0.000 0.298 54 G C -2.419 172.536 174.900 0.093 0.000 1.411 54 G CA -0.911 44.286 45.100 0.161 0.000 0.991 54 G HN 0.839 nan 8.290 nan 0.000 0.509 55 Q N 0.156 119.749 119.800 -0.346 0.000 2.379 55 Q HA 0.634 4.974 4.340 -0.000 0.000 0.278 55 Q C -2.201 173.446 176.000 -0.589 0.000 1.068 55 Q CA -1.011 54.485 55.803 -0.511 0.000 0.816 55 Q CB 2.928 31.279 28.738 -0.646 0.000 1.387 55 Q HN 0.641 nan 8.270 nan 0.000 0.413 56 W N 3.039 123.849 121.300 -0.817 0.000 3.439 56 W HA 0.502 5.162 4.660 -0.000 0.000 0.323 56 W C -1.978 174.258 176.519 -0.472 0.000 1.174 56 W CA -0.212 56.715 57.345 -0.696 0.000 1.224 56 W CB 1.457 30.306 29.460 -1.018 0.000 1.348 56 W HN 0.686 nan 8.180 nan 0.000 0.498 57 E N 4.459 124.086 120.200 -0.954 0.000 2.331 57 E HA 0.413 4.763 4.350 -0.000 0.000 0.275 57 E C -2.335 173.746 176.600 -0.865 0.000 0.895 57 E CA -0.876 55.009 56.400 -0.858 0.000 0.753 57 E CB 2.332 31.867 29.700 -0.276 0.000 1.216 57 E HN 0.426 nan 8.360 nan 0.000 0.434 58 Y N 2.033 121.732 120.300 -1.001 0.000 2.433 58 Y HA 0.257 4.806 4.550 -0.000 0.000 0.337 58 Y C -1.215 174.346 175.900 -0.565 0.000 1.026 58 Y CA -0.580 57.057 58.100 -0.770 0.000 1.037 58 Y CB 2.060 39.999 38.460 -0.869 0.000 1.245 58 Y HN 0.526 nan 8.280 nan 0.000 0.443 59 Q N 5.730 124.963 119.800 -0.945 0.000 2.293 59 Q HA 0.682 5.022 4.340 -0.000 0.000 0.261 59 Q C -1.571 173.782 176.000 -1.078 0.000 0.960 59 Q CA -0.566 54.671 55.803 -0.944 0.000 0.882 59 Q CB 1.044 29.083 28.738 -1.165 0.000 1.275 59 Q HN 0.720 nan 8.270 nan 0.000 0.445 60 I N 3.864 124.101 120.570 -0.556 0.000 2.410 60 I HA 0.238 4.408 4.170 -0.000 0.000 0.286 60 I C -0.305 175.679 176.117 -0.221 0.000 1.009 60 I CA -1.033 60.042 61.300 -0.375 0.000 1.111 60 I CB 1.720 39.643 38.000 -0.129 0.000 1.262 60 I HN 0.490 nan 8.210 nan 0.000 0.443 61 Q N 3.860 123.533 119.800 -0.212 0.000 2.352 61 Q HA 0.218 4.558 4.340 -0.000 0.000 0.260 61 Q C 0.843 176.836 176.000 -0.011 0.000 0.976 61 Q CA 0.084 55.852 55.803 -0.057 0.000 0.881 61 Q CB 1.587 30.318 28.738 -0.012 0.000 1.235 61 Q HN 0.931 nan 8.270 nan 0.000 0.419 62 G N 1.558 110.373 108.800 0.025 0.000 3.651 62 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.279 62 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.279 62 G C 0.382 175.284 174.900 0.004 0.000 1.024 62 G CA -0.283 44.822 45.100 0.009 0.000 0.813 62 G HN 0.597 nan 8.290 nan 0.000 0.518 63 N N -0.007 118.694 118.700 0.002 0.000 2.204 63 N HA 0.121 4.861 4.740 -0.000 0.000 0.219 63 N C -0.120 175.380 175.510 -0.016 0.000 1.151 63 N CA -0.261 52.779 53.050 -0.015 0.000 0.867 63 N CB 0.618 39.081 38.487 -0.041 0.000 1.043 63 N HN 0.319 nan 8.380 nan 0.000 0.516 64 E N 0.923 121.119 120.200 -0.006 0.000 2.263 64 E HA 0.475 4.825 4.350 -0.000 0.000 0.264 64 E C -2.295 174.305 176.600 -0.000 0.000 0.923 64 E CA -1.875 54.523 56.400 -0.003 0.000 0.802 64 E CB 1.575 31.277 29.700 0.005 0.000 1.228 64 E HN 0.159 nan 8.360 nan 0.000 0.417 65 P HA 0.129 nan 4.420 nan 0.000 0.277 65 P C -0.329 176.974 177.300 0.006 0.000 1.271 65 P CA -0.194 62.907 63.100 0.002 0.000 0.795 65 P CB 0.781 32.481 31.700 0.001 0.000 1.101 66 E N -0.493 119.711 120.200 0.006 0.000 2.482 66 E HA -0.078 4.272 4.350 -0.000 0.000 0.196 66 E C 1.598 178.205 176.600 0.011 0.000 1.047 66 E CA 0.759 57.165 56.400 0.009 0.000 0.869 66 E CB -0.092 29.613 29.700 0.008 0.000 0.836 66 E HN 0.471 nan 8.360 nan 0.000 0.520 67 S N 0.354 116.060 115.700 0.010 0.000 2.522 67 S HA -0.085 4.385 4.470 -0.000 0.000 0.227 67 S C 0.579 175.187 174.600 0.014 0.000 0.986 67 S CA 0.514 58.720 58.200 0.010 0.000 0.929 67 S CB 0.297 63.502 63.200 0.007 0.000 0.769 67 S HN 0.084 nan 8.310 nan 0.000 0.529 68 D N 0.458 120.868 120.400 0.015 0.000 2.826 68 D HA 0.206 4.846 4.640 -0.000 0.000 0.239 68 D C -1.484 174.829 176.300 0.023 0.000 1.329 68 D CA -0.186 53.825 54.000 0.019 0.000 0.854 68 D CB -0.138 40.670 40.800 0.014 0.000 1.494 68 D HN 0.349 nan 8.370 nan 0.000 0.540 69 N N 1.277 119.994 118.700 0.028 0.000 2.419 69 N HA 0.436 5.175 4.740 -0.000 0.000 0.277 69 N C -0.801 174.734 175.510 0.041 0.000 1.006 69 N CA -0.392 52.675 53.050 0.028 0.000 0.923 69 N CB 0.828 39.329 38.487 0.023 0.000 1.140 69 N HN 0.044 nan 8.380 nan 0.000 0.488 70 S N 1.216 116.946 115.700 0.051 0.000 2.489 70 S HA 0.517 4.986 4.470 -0.000 0.000 0.291 70 S C -0.704 173.915 174.600 0.033 0.000 1.151 70 S CA -0.704 57.559 58.200 0.104 0.000 1.082 70 S CB 1.349 64.658 63.200 0.182 0.000 1.019 70 S HN 0.700 nan 8.310 nan 0.000 0.492 71 S N 1.276 117.000 115.700 0.040 0.000 2.596 71 S HA 0.879 5.349 4.470 -0.000 0.000 0.270 71 S C -1.651 172.866 174.600 -0.138 0.000 1.155 71 S CA -1.201 56.801 58.200 -0.331 0.000 0.827 71 S CB 1.179 64.167 63.200 -0.353 0.000 1.130 71 S HN 0.955 nan 8.310 nan 0.000 0.467 72 W N -1.091 119.827 121.300 -0.637 0.000 3.153 72 W HA 0.655 5.315 4.660 -0.001 0.000 0.316 72 W C -1.603 174.621 176.519 -0.492 0.000 1.255 72 W CA -0.893 56.202 57.345 -0.416 0.000 1.192 72 W CB 0.282 29.612 29.460 -0.216 0.000 1.400 72 W HN 0.562 nan 8.180 nan 0.000 0.568 73 T N 2.894 117.575 114.554 0.211 0.000 2.761 73 T HA 0.230 4.580 4.350 -0.000 0.000 0.296 73 T C 1.035 175.836 174.700 0.168 0.000 0.934 73 T CA -0.357 61.899 62.100 0.260 0.000 1.091 73 T CB 1.112 70.216 68.868 0.393 0.000 0.896 73 T HN 0.494 nan 8.240 nan 0.000 0.515 74 R N 1.887 122.402 120.500 0.025 0.000 2.052 74 R HA 0.165 4.505 4.340 -0.000 0.000 0.226 74 R C 0.859 177.143 176.300 -0.028 0.000 1.145 74 R CA 0.669 56.781 56.100 0.019 0.000 0.952 74 R CB 0.086 30.371 30.300 -0.025 0.000 0.847 74 R HN 0.605 nan 8.270 nan 0.000 0.431 75 V N -3.747 116.156 119.914 -0.019 0.000 3.007 75 V HA 0.890 5.010 4.120 -0.000 0.000 0.311 75 V C -1.444 174.694 176.094 0.074 0.000 1.120 75 V CA -1.209 61.146 62.300 0.091 0.000 0.980 75 V CB 2.028 34.006 31.823 0.258 0.000 1.033 75 V HN 0.113 nan 8.190 nan 0.000 0.429 76 A N 3.923 126.843 122.820 0.168 0.000 2.579 76 A HA 0.857 5.176 4.320 -0.000 0.000 0.288 76 A C -1.145 176.530 177.584 0.152 0.000 1.079 76 A CA -0.344 51.765 52.037 0.120 0.000 0.889 76 A CB 0.618 19.766 19.000 0.246 0.000 1.439 76 A HN 2.165 nan 8.150 nan 0.000 0.399 77 F N -0.082 119.920 119.950 0.086 0.000 2.654 77 F HA 0.930 5.457 4.527 -0.000 0.000 0.308 77 F C -0.255 175.577 175.800 0.054 0.000 1.108 77 F CA -0.851 57.175 58.000 0.043 0.000 0.957 77 F CB 1.097 40.108 39.000 0.018 0.000 1.309 77 F HN 0.846 nan 8.300 nan 0.000 0.446 78 A N 0.827 123.791 122.820 0.239 0.000 2.354 78 A HA 1.053 5.373 4.320 -0.000 0.000 0.321 78 A C -0.317 177.204 177.584 -0.105 0.000 1.125 78 A CA -0.450 51.621 52.037 0.057 0.000 0.799 78 A CB 1.333 20.367 19.000 0.058 0.000 1.293 78 A HN 2.020 nan 8.150 nan 0.000 0.452 79 G N -0.916 107.577 108.800 -0.511 0.000 2.495 79 G HA2 0.560 4.520 3.960 -0.000 0.000 0.294 79 G HA3 0.560 4.520 3.960 -0.000 0.000 0.294 79 G C -1.941 172.606 174.900 -0.589 0.000 1.397 79 G CA -0.635 44.079 45.100 -0.644 0.000 0.790 79 G HN 0.803 nan 8.290 nan 0.000 0.486 80 L N -0.003 121.174 121.223 -0.076 0.000 2.401 80 L HA 0.691 5.031 4.340 -0.000 0.000 0.266 80 L C -0.429 176.673 176.870 0.386 0.000 0.991 80 L CA -0.866 54.087 54.840 0.188 0.000 0.818 80 L CB 2.709 44.888 42.059 0.200 0.000 1.321 80 L HN 0.493 nan 8.230 nan 0.000 0.413 81 K N 2.397 123.033 120.400 0.394 0.000 2.545 81 K HA 0.468 4.788 4.320 -0.000 0.000 0.252 81 K C -1.854 174.909 176.600 0.271 0.000 0.948 81 K CA -0.466 56.017 56.287 0.326 0.000 0.827 81 K CB 1.673 34.327 32.500 0.257 0.000 1.128 81 K HN 0.367 nan 8.250 nan 0.000 0.429 82 F N 3.121 123.146 119.950 0.126 0.000 2.427 82 F HA 0.255 4.781 4.527 -0.000 0.000 0.346 82 F C 0.184 176.030 175.800 0.077 0.000 1.120 82 F CA -0.455 57.604 58.000 0.099 0.000 1.033 82 F CB 1.559 40.619 39.000 0.101 0.000 1.126 82 F HN 0.488 nan 8.300 nan 0.000 0.462 83 Q N 4.587 124.237 119.800 -0.249 0.000 2.263 83 Q HA 0.075 4.415 4.340 -0.000 0.000 0.289 83 Q C -0.013 176.028 176.000 0.068 0.000 1.061 83 Q CA 0.966 56.708 55.803 -0.103 0.000 0.927 83 Q CB 0.054 28.676 28.738 -0.193 0.000 1.154 83 Q HN 0.708 nan 8.270 nan 0.000 0.378 84 D N 1.909 122.364 120.400 0.092 0.000 2.945 84 D HA -0.181 4.459 4.640 -0.000 0.000 0.225 84 D C -0.102 176.347 176.300 0.250 0.000 1.158 84 D CA 0.942 55.029 54.000 0.144 0.000 0.805 84 D CB -1.389 39.497 40.800 0.143 0.000 1.098 84 D HN 0.344 nan 8.370 nan 0.000 0.426 85 V N -1.723 118.340 119.914 0.248 0.000 3.442 85 V HA 0.637 4.756 4.120 -0.000 0.000 0.205 85 V C 1.285 177.430 176.094 0.086 0.000 1.320 85 V CA 1.046 63.513 62.300 0.280 0.000 1.306 85 V CB 1.112 33.153 31.823 0.362 0.000 1.267 85 V HN 0.542 nan 8.190 nan 0.000 0.538 86 G N 0.299 109.176 108.800 0.128 0.000 2.345 86 G HA2 0.412 4.372 3.960 -0.000 0.000 0.285 86 G HA3 0.412 4.372 3.960 -0.000 0.000 0.285 86 G C -1.045 173.947 174.900 0.153 0.000 1.297 86 G CA 0.208 45.340 45.100 0.053 0.000 0.875 86 G HN 0.914 nan 8.290 nan 0.000 0.506 87 S N -1.355 114.432 115.700 0.145 0.000 2.599 87 S HA 0.857 5.326 4.470 -0.000 0.000 0.294 87 S C -1.375 173.386 174.600 0.268 0.000 1.094 87 S CA -0.692 57.647 58.200 0.230 0.000 0.931 87 S CB 2.402 65.723 63.200 0.201 0.000 1.093 87 S HN 1.804 nan 8.310 nan 0.000 0.488 88 F N 1.819 121.833 119.950 0.107 0.000 2.539 88 F HA 0.640 5.166 4.527 -0.000 0.000 0.318 88 F C -1.583 174.210 175.800 -0.012 0.000 1.135 88 F CA -0.565 57.405 58.000 -0.050 0.000 0.915 88 F CB 1.487 40.411 39.000 -0.127 0.000 1.176 88 F HN 0.913 nan 8.300 nan 0.000 0.440 89 D N 3.695 123.591 120.400 -0.839 0.000 2.547 89 D HA 0.457 5.096 4.640 -0.000 0.000 0.231 89 D C -1.933 173.890 176.300 -0.796 0.000 1.099 89 D CA -0.626 52.980 54.000 -0.656 0.000 0.901 89 D CB 2.167 42.846 40.800 -0.201 0.000 1.478 89 D HN 0.474 nan 8.370 nan 0.000 0.471 90 Y N 0.095 120.129 120.300 -0.442 0.000 2.504 90 Y HA 0.645 5.195 4.550 -0.000 0.000 0.344 90 Y C -0.029 175.901 175.900 0.049 0.000 1.023 90 Y CA 0.287 58.267 58.100 -0.200 0.000 1.020 90 Y CB 1.932 40.346 38.460 -0.078 0.000 1.282 90 Y HN 1.000 nan 8.280 nan 0.000 0.454 91 G N 3.919 112.221 108.800 -0.829 0.000 2.320 91 G HA2 0.036 3.996 3.960 -0.000 0.000 0.274 91 G HA3 0.036 3.996 3.960 -0.000 0.000 0.274 91 G C -1.723 173.025 174.900 -0.253 0.000 1.324 91 G CA -1.132 43.675 45.100 -0.488 0.000 0.957 91 G HN 0.780 nan 8.290 nan 0.000 0.481 92 R N 0.840 121.317 120.500 -0.038 0.000 2.370 92 R HA 0.491 4.831 4.340 -0.000 0.000 0.309 92 R C -0.263 176.155 176.300 0.196 0.000 1.059 92 R CA 0.089 56.217 56.100 0.046 0.000 0.981 92 R CB 0.041 30.374 30.300 0.055 0.000 0.972 92 R HN 0.613 nan 8.270 nan 0.000 0.437 93 N N 2.489 121.319 118.700 0.216 0.000 3.243 93 N HA 0.204 4.944 4.740 -0.000 0.000 0.280 93 N C -1.792 173.730 175.510 0.020 0.000 1.545 93 N CA -0.676 52.451 53.050 0.129 0.000 0.854 93 N CB 0.621 39.042 38.487 -0.110 0.000 1.612 93 N HN 0.293 nan 8.380 nan 0.000 0.577 94 Y N 0.306 120.521 120.300 -0.140 0.000 2.299 94 Y HA 0.453 5.003 4.550 -0.000 0.000 0.326 94 Y C 1.494 177.014 175.900 -0.634 0.000 1.164 94 Y CA 0.010 57.955 58.100 -0.259 0.000 1.234 94 Y CB 0.749 39.105 38.460 -0.173 0.000 1.219 94 Y HN 0.475 nan 8.280 nan 0.000 0.497 95 G N 0.803 109.255 108.800 -0.579 0.000 2.544 95 G HA2 0.283 4.243 3.960 -0.000 0.000 0.242 95 G HA3 0.283 4.243 3.960 -0.000 0.000 0.242 95 G C 0.924 175.632 174.900 -0.320 0.000 1.247 95 G CA -0.185 44.447 45.100 -0.780 0.000 0.840 95 G HN 0.800 nan 8.290 nan 0.000 0.578 96 V N 0.702 120.438 119.914 -0.297 0.000 2.913 96 V HA -0.108 4.012 4.120 -0.000 0.000 0.260 96 V C 2.451 178.463 176.094 -0.137 0.000 1.098 96 V CA 1.416 63.614 62.300 -0.169 0.000 1.121 96 V CB -0.724 31.020 31.823 -0.133 0.000 0.714 96 V HN 0.403 nan 8.190 nan 0.000 0.487 97 V N -0.173 119.661 119.914 -0.133 0.000 2.392 97 V HA -0.268 3.852 4.120 -0.000 0.000 0.249 97 V C 2.407 178.396 176.094 -0.175 0.000 1.059 97 V CA 2.627 64.836 62.300 -0.151 0.000 1.051 97 V CB -1.145 30.590 31.823 -0.145 0.000 0.658 97 V HN 0.685 nan 8.190 nan 0.000 0.455 98 Y N 1.309 121.454 120.300 -0.257 0.000 2.497 98 Y HA -0.145 4.405 4.550 -0.000 0.000 0.292 98 Y C 2.100 177.849 175.900 -0.252 0.000 1.137 98 Y CA 0.993 58.947 58.100 -0.244 0.000 1.285 98 Y CB -0.319 38.075 38.460 -0.111 0.000 0.991 98 Y HN 0.353 nan 8.280 nan 0.000 0.556 99 D N -0.881 119.381 120.400 -0.231 0.000 2.228 99 D HA -0.168 4.472 4.640 -0.000 0.000 0.203 99 D C 2.038 177.996 176.300 -0.569 0.000 0.988 99 D CA 1.539 55.370 54.000 -0.282 0.000 0.864 99 D CB 0.003 40.700 40.800 -0.172 0.000 0.928 99 D HN 0.323 nan 8.370 nan 0.000 0.469 100 V N -0.073 119.418 119.914 -0.705 0.000 2.908 100 V HA -0.064 4.056 4.120 -0.000 0.000 0.240 100 V C 2.437 177.980 176.094 -0.919 0.000 1.117 100 V CA 1.397 63.005 62.300 -1.153 0.000 1.133 100 V CB -0.086 31.278 31.823 -0.764 0.000 0.857 100 V HN 0.255 nan 8.190 nan 0.000 0.478 101 T N -0.668 113.547 114.554 -0.564 0.000 3.035 101 T HA -0.131 4.218 4.350 -0.000 0.000 0.268 101 T C 1.968 176.467 174.700 -0.334 0.000 1.109 101 T CA 1.386 63.283 62.100 -0.338 0.000 1.119 101 T CB -0.414 68.295 68.868 -0.266 0.000 0.900 101 T HN 0.551 nan 8.240 nan 0.000 0.503 102 S N 0.158 115.390 115.700 -0.781 0.000 2.419 102 S HA -0.126 4.344 4.470 -0.000 0.000 0.233 102 S C 1.628 176.185 174.600 -0.072 0.000 1.016 102 S CA 0.491 58.219 58.200 -0.786 0.000 0.974 102 S CB -1.021 61.461 63.200 -1.198 0.000 0.786 102 S HN 0.657 nan 8.310 nan 0.000 0.492 103 W N 2.986 124.179 121.300 -0.179 0.000 2.350 103 W HA 0.015 4.675 4.660 -0.000 0.000 0.289 103 W C 2.655 179.235 176.519 0.100 0.000 1.215 103 W CA 1.431 58.774 57.345 -0.003 0.000 1.236 103 W CB -1.636 27.816 29.460 -0.014 0.000 1.130 103 W HN 0.629 nan 8.180 nan 0.000 0.541 104 T N -3.777 110.927 114.554 0.250 0.000 3.060 104 T HA 0.007 4.356 4.350 -0.000 0.000 0.249 104 T C 0.514 175.303 174.700 0.149 0.000 1.079 104 T CA 0.226 62.438 62.100 0.188 0.000 1.013 104 T CB -0.013 68.911 68.868 0.094 0.000 0.975 104 T HN -0.194 nan 8.240 nan 0.000 0.518 105 D N 2.590 123.077 120.400 0.145 0.000 2.713 105 D HA 0.199 4.839 4.640 -0.000 0.000 0.229 105 D C 0.851 177.207 176.300 0.094 0.000 1.136 105 D CA -0.295 53.800 54.000 0.158 0.000 1.010 105 D CB -0.027 40.941 40.800 0.279 0.000 1.084 105 D HN 0.371 nan 8.370 nan 0.000 0.495 106 V N -0.328 119.615 119.914 0.049 0.000 3.261 106 V HA 0.329 4.449 4.120 -0.000 0.000 0.330 106 V C 0.409 176.478 176.094 -0.041 0.000 1.461 106 V CA -0.583 61.690 62.300 -0.044 0.000 1.127 106 V CB -0.730 30.981 31.823 -0.187 0.000 1.044 106 V HN 0.068 nan 8.190 nan 0.000 0.499 107 L N 0.850 122.078 121.223 0.008 0.000 2.453 107 L HA 0.369 4.709 4.340 -0.000 0.000 0.261 107 L C -0.842 175.962 176.870 -0.110 0.000 1.179 107 L CA -1.310 53.531 54.840 0.001 0.000 0.813 107 L CB 0.559 42.671 42.059 0.089 0.000 1.110 107 L HN 0.052 nan 8.230 nan 0.000 0.466 108 P HA -0.173 nan 4.420 nan 0.000 0.215 108 P C 0.811 177.692 177.300 -0.698 0.000 1.153 108 P CA 1.178 63.978 63.100 -0.501 0.000 0.853 108 P CB 0.408 31.851 31.700 -0.429 0.000 0.788 109 E N -2.868 117.052 120.200 -0.467 0.000 2.717 109 E HA 0.156 4.505 4.350 -0.000 0.000 0.204 109 E C 0.705 177.060 176.600 -0.408 0.000 0.911 109 E CA 0.156 56.263 56.400 -0.489 0.000 1.370 109 E CB -0.354 28.940 29.700 -0.676 0.000 1.315 109 E HN -0.082 nan 8.360 nan 0.000 0.643 110 F N 0.734 120.688 119.950 0.006 0.000 2.192 110 F HA 0.649 5.176 4.527 -0.000 0.000 0.269 110 F C 1.499 177.344 175.800 0.075 0.000 0.946 110 F CA 0.352 58.362 58.000 0.017 0.000 1.139 110 F CB -0.427 38.538 39.000 -0.058 0.000 1.877 110 F HN 0.196 nan 8.300 nan 0.000 0.571 111 G N -1.104 107.934 108.800 0.396 0.000 2.795 111 G HA2 0.372 4.332 3.960 -0.000 0.000 0.664 111 G HA3 0.372 4.332 3.960 -0.000 0.000 0.664 111 G C 0.461 175.437 174.900 0.128 0.000 1.381 111 G CA -0.246 45.005 45.100 0.252 0.000 0.853 111 G HN 1.887 nan 8.290 nan 0.000 0.545 112 G N -0.700 108.135 108.800 0.058 0.000 2.249 112 G HA2 0.058 4.017 3.960 -0.000 0.000 0.273 112 G HA3 0.058 4.017 3.960 -0.000 0.000 0.273 112 G C 0.517 175.135 174.900 -0.469 0.000 1.036 112 G CA 1.419 46.489 45.100 -0.049 0.000 0.824 112 G HN 2.328 nan 8.290 nan 0.000 0.504 113 D N -0.958 119.237 120.400 -0.343 0.000 2.740 113 D HA 0.103 4.743 4.640 -0.000 0.000 0.301 113 D C 1.326 177.483 176.300 -0.238 0.000 1.408 113 D CA 0.496 54.296 54.000 -0.335 0.000 0.808 113 D CB -0.678 40.070 40.800 -0.087 0.000 1.128 113 D HN 0.431 nan 8.370 nan 0.000 0.465 114 T N -1.710 112.690 114.554 -0.257 0.000 3.272 114 T HA 0.264 4.614 4.350 -0.000 0.000 0.250 114 T C 0.149 174.932 174.700 0.138 0.000 1.082 114 T CA -0.049 62.043 62.100 -0.014 0.000 0.968 114 T CB -1.025 67.897 68.868 0.091 0.000 1.015 114 T HN 0.372 nan 8.240 nan 0.000 0.563 115 Y N -2.282 118.059 120.300 0.069 0.000 2.741 115 Y HA 0.709 5.259 4.550 -0.000 0.000 0.339 115 Y C -1.711 174.226 175.900 0.061 0.000 1.226 115 Y CA -1.978 56.173 58.100 0.084 0.000 1.072 115 Y CB 0.378 38.899 38.460 0.103 0.000 1.331 115 Y HN -0.012 nan 8.280 nan 0.000 0.453 116 D N -0.403 120.135 120.400 0.230 0.000 2.585 116 D HA 0.627 5.267 4.640 -0.000 0.000 0.254 116 D C -1.065 175.309 176.300 0.124 0.000 1.067 116 D CA -0.876 53.173 54.000 0.083 0.000 1.090 116 D CB 1.710 42.517 40.800 0.011 0.000 1.408 116 D HN 0.596 nan 8.370 nan 0.000 0.554 117 S N 0.249 115.954 115.700 0.008 0.000 2.592 117 S HA 0.139 4.609 4.470 -0.000 0.000 0.271 117 S C -0.333 174.247 174.600 -0.034 0.000 1.326 117 S CA -0.401 57.779 58.200 -0.034 0.000 1.024 117 S CB 0.211 63.339 63.200 -0.121 0.000 0.921 117 S HN 0.501 nan 8.310 nan 0.000 0.527 118 D N 1.189 121.568 120.400 -0.035 0.000 2.701 118 D HA -0.206 4.434 4.640 -0.000 0.000 0.235 118 D C -0.275 175.992 176.300 -0.056 0.000 1.155 118 D CA 0.616 54.583 54.000 -0.055 0.000 0.649 118 D CB -1.243 39.506 40.800 -0.084 0.000 1.050 118 D HN 0.664 nan 8.370 nan 0.000 0.425 119 N N 0.350 119.060 118.700 0.016 0.000 2.904 119 N HA 0.259 4.999 4.740 -0.000 0.000 0.257 119 N C 0.383 175.992 175.510 0.165 0.000 1.363 119 N CA -0.479 52.605 53.050 0.057 0.000 0.856 119 N CB 0.463 39.069 38.487 0.199 0.000 1.166 119 N HN -0.071 nan 8.380 nan 0.000 0.499 120 F N 0.124 120.152 119.950 0.130 0.000 1.692 120 F HA -0.404 4.123 4.527 -0.000 0.000 0.191 120 F C 1.265 177.176 175.800 0.185 0.000 0.146 120 F CA 1.068 59.131 58.000 0.106 0.000 0.579 120 F CB -0.486 38.554 39.000 0.068 0.000 2.449 120 F HN 0.354 nan 8.300 nan 0.000 0.549 121 M N 0.577 120.419 119.600 0.404 0.000 2.723 121 M HA 0.120 4.600 4.480 -0.000 0.000 0.270 121 M C 0.873 177.248 176.300 0.125 0.000 1.282 121 M CA 0.372 55.877 55.300 0.342 0.000 0.995 121 M CB -0.023 32.731 32.600 0.257 0.000 1.430 121 M HN 0.430 nan 8.290 nan 0.000 0.477 122 Q N -0.273 119.611 119.800 0.139 0.000 2.297 122 Q HA 0.134 4.474 4.340 -0.000 0.000 0.203 122 Q C 1.213 177.172 176.000 -0.068 0.000 0.931 122 Q CA 0.691 56.491 55.803 -0.006 0.000 0.885 122 Q CB 0.829 29.596 28.738 0.049 0.000 0.991 122 Q HN 0.554 nan 8.270 nan 0.000 0.498 123 Q N -0.385 119.440 119.800 0.043 0.000 3.080 123 Q HA 0.320 4.659 4.340 -0.000 0.000 0.380 123 Q C -0.858 175.109 176.000 -0.054 0.000 0.757 123 Q CA -0.732 55.059 55.803 -0.021 0.000 0.878 123 Q CB 1.343 30.141 28.738 0.100 0.000 1.438 123 Q HN 0.013 nan 8.270 nan 0.000 0.419 124 R N -0.393 119.953 120.500 -0.255 0.000 2.640 124 R HA 0.342 4.682 4.340 -0.000 0.000 0.270 124 R C 0.000 176.312 176.300 0.021 0.000 1.024 124 R CA 0.970 56.896 56.100 -0.289 0.000 1.085 124 R CB 0.156 30.187 30.300 -0.448 0.000 0.963 124 R HN 0.624 nan 8.270 nan 0.000 0.426 125 G N 1.463 110.366 108.800 0.171 0.000 2.576 125 G HA2 0.148 4.108 3.960 -0.000 0.000 0.290 125 G HA3 0.148 4.108 3.960 -0.000 0.000 0.290 125 G C -1.478 173.294 174.900 -0.214 0.000 1.442 125 G CA -0.992 44.102 45.100 -0.012 0.000 0.792 125 G HN 0.603 nan 8.290 nan 0.000 0.491 126 N N -0.425 118.087 118.700 -0.314 0.000 2.530 126 N HA 0.442 5.182 4.740 -0.000 0.000 0.277 126 N C 0.979 176.204 175.510 -0.476 0.000 1.168 126 N CA 0.756 53.630 53.050 -0.293 0.000 0.979 126 N CB 1.163 39.550 38.487 -0.167 0.000 1.141 126 N HN 1.500 nan 8.380 nan 0.000 0.459 127 G N 0.889 109.457 108.800 -0.388 0.000 2.246 127 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.273 127 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.273 127 G C -0.527 174.203 174.900 -0.284 0.000 1.055 127 G CA -0.302 44.585 45.100 -0.355 0.000 0.851 127 G HN 0.393 nan 8.290 nan 0.000 0.500 128 F N 0.613 120.454 119.950 -0.183 0.000 2.456 128 F HA 0.549 5.076 4.527 -0.000 0.000 0.358 128 F C 0.853 176.647 175.800 -0.011 0.000 1.095 128 F CA -0.234 57.732 58.000 -0.056 0.000 1.216 128 F CB 1.442 40.384 39.000 -0.097 0.000 1.125 128 F HN 0.381 nan 8.300 nan 0.000 0.549 129 A N 2.961 126.030 122.820 0.416 0.000 2.256 129 A HA 0.652 4.972 4.320 -0.000 0.000 0.317 129 A C -0.422 177.279 177.584 0.195 0.000 1.318 129 A CA -0.448 51.792 52.037 0.337 0.000 0.894 129 A CB 0.082 19.439 19.000 0.596 0.000 1.165 129 A HN 0.675 nan 8.150 nan 0.000 0.525 130 T N 3.003 117.438 114.554 -0.199 0.000 2.815 130 T HA 0.489 4.839 4.350 -0.000 0.000 0.289 130 T C -1.098 173.508 174.700 -0.157 0.000 1.000 130 T CA 0.034 62.076 62.100 -0.098 0.000 0.958 130 T CB 0.196 68.964 68.868 -0.166 0.000 0.944 130 T HN 0.411 nan 8.240 nan 0.000 0.442 131 Y N 2.338 122.756 120.300 0.198 0.000 2.328 131 Y HA 0.586 5.136 4.550 -0.000 0.000 0.337 131 Y C 0.967 176.888 175.900 0.035 0.000 1.008 131 Y CA -0.971 57.256 58.100 0.211 0.000 1.129 131 Y CB 1.067 39.696 38.460 0.283 0.000 1.185 131 Y HN 0.309 nan 8.280 nan 0.000 0.476 132 R N 2.158 122.711 120.500 0.088 0.000 2.621 132 R HA 0.365 4.705 4.340 -0.000 0.000 0.292 132 R C -1.191 174.962 176.300 -0.246 0.000 0.969 132 R CA -1.052 54.985 56.100 -0.105 0.000 0.887 132 R CB 1.892 32.144 30.300 -0.080 0.000 1.180 132 R HN 0.538 nan 8.270 nan 0.000 0.450 133 N N 1.113 119.468 118.700 -0.575 0.000 2.407 133 N HA 0.258 4.998 4.740 -0.000 0.000 0.277 133 N C -1.517 173.736 175.510 -0.428 0.000 0.995 133 N CA -0.127 52.511 53.050 -0.688 0.000 0.903 133 N CB 2.163 39.796 38.487 -1.423 0.000 1.218 133 N HN 0.405 nan 8.380 nan 0.000 0.487 134 T N 2.517 116.930 114.554 -0.236 0.000 2.770 134 T HA 0.241 4.591 4.350 -0.000 0.000 0.283 134 T C -0.676 174.010 174.700 -0.023 0.000 0.988 134 T CA -0.216 61.828 62.100 -0.093 0.000 0.957 134 T CB 0.472 69.302 68.868 -0.064 0.000 0.930 134 T HN 0.511 nan 8.240 nan 0.000 0.443 135 D N 2.168 122.611 120.400 0.072 0.000 2.800 135 D HA -0.210 4.430 4.640 -0.000 0.000 0.232 135 D C 0.119 176.574 176.300 0.257 0.000 1.137 135 D CA 0.484 54.581 54.000 0.162 0.000 0.718 135 D CB -1.467 39.403 40.800 0.117 0.000 1.084 135 D HN 0.796 nan 8.370 nan 0.000 0.432 136 F N -0.012 119.974 119.950 0.060 0.000 2.635 136 F HA -0.338 4.188 4.527 -0.000 0.000 0.228 136 F C 0.237 176.157 175.800 0.200 0.000 1.029 136 F CA 0.998 59.061 58.000 0.105 0.000 0.907 136 F CB -1.736 37.424 39.000 0.267 0.000 0.893 136 F HN 0.177 nan 8.300 nan 0.000 0.845 137 F N 0.420 120.328 119.950 -0.071 0.000 3.057 137 F HA -0.188 4.339 4.527 -0.000 0.000 0.287 137 F C 1.544 177.348 175.800 0.008 0.000 0.834 137 F CA 1.277 59.222 58.000 -0.091 0.000 1.147 137 F CB -1.608 37.241 39.000 -0.251 0.000 1.245 137 F HN 1.151 nan 8.300 nan 0.000 0.509 138 G N -0.414 108.483 108.800 0.162 0.000 2.168 138 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.257 138 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.257 138 G C 0.779 175.793 174.900 0.190 0.000 0.997 138 G CA 0.414 45.606 45.100 0.154 0.000 0.708 138 G HN 0.578 nan 8.290 nan 0.000 0.520 139 L N -1.184 120.203 121.223 0.273 0.000 2.515 139 L HA 0.281 4.621 4.340 -0.000 0.000 0.223 139 L C 0.623 177.679 176.870 0.311 0.000 1.079 139 L CA 0.477 55.496 54.840 0.299 0.000 0.857 139 L CB 0.599 42.889 42.059 0.385 0.000 1.050 139 L HN 0.126 nan 8.230 nan 0.000 0.476 140 V N 0.557 120.687 119.914 0.359 0.000 2.380 140 V HA 0.198 4.318 4.120 -0.000 0.000 0.272 140 V C -0.855 175.414 176.094 0.290 0.000 1.011 140 V CA -0.955 61.527 62.300 0.303 0.000 0.826 140 V CB 1.275 33.262 31.823 0.273 0.000 1.040 140 V HN 0.069 nan 8.190 nan 0.000 0.441 141 D N 3.753 124.293 120.400 0.234 0.000 2.487 141 D HA 0.336 4.976 4.640 -0.000 0.000 0.243 141 D C 1.286 177.694 176.300 0.179 0.000 1.154 141 D CA 1.849 55.954 54.000 0.175 0.000 0.876 141 D CB 1.486 42.364 40.800 0.130 0.000 1.161 141 D HN 0.894 nan 8.370 nan 0.000 0.478 142 G N 1.794 110.656 108.800 0.103 0.000 2.254 142 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.225 142 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.225 142 G C 0.151 175.127 174.900 0.126 0.000 1.003 142 G CA -0.202 44.883 45.100 -0.024 0.000 0.622 142 G HN 0.482 nan 8.290 nan 0.000 0.507 143 L N 2.721 124.151 121.223 0.345 0.000 2.261 143 L HA 0.718 5.058 4.340 -0.000 0.000 0.289 143 L C -1.052 176.003 176.870 0.308 0.000 1.059 143 L CA -0.914 54.175 54.840 0.415 0.000 0.816 143 L CB 0.833 43.115 42.059 0.373 0.000 1.191 143 L HN 0.112 nan 8.230 nan 0.000 0.431 144 D N 5.153 125.713 120.400 0.267 0.000 2.350 144 D HA 0.584 5.224 4.640 -0.000 0.000 0.245 144 D C -0.809 175.659 176.300 0.280 0.000 1.036 144 D CA 0.254 54.365 54.000 0.186 0.000 0.848 144 D CB 1.736 42.595 40.800 0.098 0.000 1.307 144 D HN 0.324 nan 8.370 nan 0.000 0.469 145 F N -0.653 119.341 119.950 0.074 0.000 2.626 145 F HA 0.884 5.411 4.527 -0.000 0.000 0.311 145 F C -1.558 174.273 175.800 0.051 0.000 1.088 145 F CA -1.259 56.778 58.000 0.062 0.000 0.949 145 F CB 1.416 40.463 39.000 0.079 0.000 1.322 145 F HN 0.347 nan 8.300 nan 0.000 0.461 146 A N 1.593 124.525 122.820 0.187 0.000 2.486 146 A HA 0.781 5.101 4.320 -0.000 0.000 0.300 146 A C -1.989 175.699 177.584 0.174 0.000 1.048 146 A CA -0.825 51.265 52.037 0.088 0.000 0.696 146 A CB 1.635 20.642 19.000 0.012 0.000 1.278 146 A HN 0.887 nan 8.150 nan 0.000 0.405 147 V N 1.633 121.664 119.914 0.194 0.000 2.555 147 V HA 0.684 4.804 4.120 -0.000 0.000 0.302 147 V C -0.114 176.058 176.094 0.129 0.000 1.038 147 V CA -0.426 61.946 62.300 0.121 0.000 0.887 147 V CB 1.618 33.524 31.823 0.139 0.000 0.991 147 V HN 0.961 nan 8.190 nan 0.000 0.434 148 Q N 2.442 122.188 119.800 -0.090 0.000 2.315 148 Q HA 0.568 4.908 4.340 -0.000 0.000 0.273 148 Q C -2.246 173.640 176.000 -0.191 0.000 1.053 148 Q CA -0.632 55.168 55.803 -0.005 0.000 0.817 148 Q CB 2.510 31.238 28.738 -0.018 0.000 1.326 148 Q HN 0.731 nan 8.270 nan 0.000 0.423 149 Y N 1.126 121.618 120.300 0.320 0.000 2.364 149 Y HA 0.346 4.896 4.550 -0.000 0.000 0.340 149 Y C -0.388 175.701 175.900 0.314 0.000 0.975 149 Y CA -0.706 57.568 58.100 0.290 0.000 1.089 149 Y CB 2.126 40.760 38.460 0.290 0.000 1.192 149 Y HN 0.497 nan 8.280 nan 0.000 0.454 150 Q N 2.181 122.197 119.800 0.361 0.000 2.333 150 Q HA 0.566 4.905 4.340 -0.000 0.000 0.268 150 Q C -0.122 175.961 176.000 0.139 0.000 1.007 150 Q CA -0.777 55.128 55.803 0.170 0.000 0.810 150 Q CB 1.421 30.169 28.738 0.018 0.000 1.264 150 Q HN 0.984 nan 8.270 nan 0.000 0.452 151 G N 2.856 111.727 108.800 0.118 0.000 2.569 151 G HA2 0.039 3.999 3.960 -0.000 0.000 0.249 151 G HA3 0.039 3.999 3.960 -0.000 0.000 0.249 151 G C -0.599 174.327 174.900 0.044 0.000 1.216 151 G CA -0.472 44.690 45.100 0.104 0.000 0.845 151 G HN 0.704 nan 8.290 nan 0.000 0.568 152 K N 1.103 121.534 120.400 0.051 0.000 2.466 152 K HA -0.047 4.273 4.320 -0.000 0.000 0.278 152 K C -0.485 176.120 176.600 0.009 0.000 1.048 152 K CA 0.187 56.494 56.287 0.033 0.000 1.088 152 K CB 0.032 32.555 32.500 0.039 0.000 0.884 152 K HN 0.425 nan 8.250 nan 0.000 0.478 153 N N 3.588 122.279 118.700 -0.016 0.000 2.621 153 N HA 0.166 4.905 4.740 -0.000 0.000 0.237 153 N C -0.100 175.400 175.510 -0.017 0.000 0.997 153 N CA -0.265 52.768 53.050 -0.028 0.000 0.918 153 N CB 1.807 40.253 38.487 -0.070 0.000 1.122 153 N HN 0.759 nan 8.380 nan 0.000 0.510 154 G N 0.450 109.249 108.800 -0.001 0.000 2.641 154 G HA2 0.336 4.296 3.960 -0.000 0.000 0.239 154 G HA3 0.336 4.296 3.960 -0.000 0.000 0.239 154 G C 0.150 175.052 174.900 0.005 0.000 1.402 154 G CA -0.325 44.777 45.100 0.005 0.000 1.046 154 G HN 0.417 nan 8.290 nan 0.000 0.565 155 S N -1.491 114.206 115.700 -0.004 0.000 2.645 155 S HA 0.507 4.977 4.470 -0.000 0.000 0.266 155 S C 0.994 175.601 174.600 0.011 0.000 1.258 155 S CA 0.230 58.424 58.200 -0.010 0.000 0.990 155 S CB 1.583 64.724 63.200 -0.098 0.000 0.967 155 S HN 1.235 nan 8.310 nan 0.000 0.556 156 A N 0.230 123.097 122.820 0.078 0.000 2.275 156 A HA 0.269 4.589 4.320 -0.000 0.000 0.212 156 A C 0.675 178.361 177.584 0.170 0.000 1.201 156 A CA 0.031 52.136 52.037 0.114 0.000 0.843 156 A CB -0.662 18.414 19.000 0.128 0.000 0.873 156 A HN 1.011 nan 8.150 nan 0.000 0.492 157 H N -4.217 114.865 119.070 0.020 0.000 3.064 157 H HA 0.493 5.049 4.556 -0.000 0.000 0.352 157 H C 0.380 175.712 175.328 0.008 0.000 1.260 157 H CA -0.348 55.708 56.048 0.013 0.000 1.160 157 H CB 0.387 30.159 29.762 0.017 0.000 1.879 157 H HN 1.023 nan 8.280 nan 0.000 0.544 158 G N 1.746 110.517 108.800 -0.048 0.000 2.528 158 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.262 158 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.262 158 G C -0.155 174.650 174.900 -0.157 0.000 1.200 158 G CA 0.511 45.543 45.100 -0.112 0.000 0.951 158 G HN 0.951 nan 8.290 nan 0.000 0.566 159 E N 1.311 121.380 120.200 -0.219 0.000 2.383 159 E HA 0.471 4.821 4.350 -0.000 0.000 0.264 159 E C 1.234 177.735 176.600 -0.164 0.000 1.050 159 E CA 1.500 57.758 56.400 -0.237 0.000 0.896 159 E CB 0.216 29.654 29.700 -0.436 0.000 0.982 159 E HN 2.338 nan 8.360 nan 0.000 0.424 160 G N 3.660 112.393 108.800 -0.111 0.000 2.221 160 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.265 160 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.265 160 G C 0.119 174.998 174.900 -0.035 0.000 1.041 160 G CA 0.602 45.677 45.100 -0.042 0.000 0.807 160 G HN 0.515 nan 8.290 nan 0.000 0.502 161 M N 1.523 121.094 119.600 -0.048 0.000 2.235 161 M HA 0.585 5.065 4.480 -0.000 0.000 0.351 161 M C 0.901 177.196 176.300 -0.009 0.000 1.178 161 M CA 0.409 55.690 55.300 -0.031 0.000 1.143 161 M CB 0.844 33.425 32.600 -0.031 0.000 1.530 161 M HN 0.518 nan 8.290 nan 0.000 0.461 162 T N -0.114 114.442 114.554 0.003 0.000 2.930 162 T HA 0.288 4.638 4.350 -0.000 0.000 0.290 162 T C 0.637 175.348 174.700 0.018 0.000 1.052 162 T CA -0.544 61.563 62.100 0.012 0.000 1.017 162 T CB 1.519 70.395 68.868 0.015 0.000 1.137 162 T HN 0.709 nan 8.240 nan 0.000 0.511 163 T N 0.923 115.490 114.554 0.022 0.000 2.833 163 T HA -0.116 4.233 4.350 -0.000 0.000 0.269 163 T C 1.291 176.009 174.700 0.030 0.000 1.054 163 T CA 1.783 63.899 62.100 0.026 0.000 1.135 163 T CB -0.845 68.040 68.868 0.029 0.000 0.869 163 T HN 0.794 nan 8.240 nan 0.000 0.466 164 N N 0.863 119.580 118.700 0.029 0.000 2.378 164 N HA 0.231 4.971 4.740 -0.000 0.000 0.243 164 N C 0.558 176.080 175.510 0.021 0.000 1.137 164 N CA -0.213 52.853 53.050 0.027 0.000 0.862 164 N CB -0.516 37.986 38.487 0.025 0.000 1.116 164 N HN 0.333 nan 8.380 nan 0.000 0.499 165 G N 0.943 109.758 108.800 0.025 0.000 2.690 165 G HA2 0.245 4.205 3.960 -0.000 0.000 0.239 165 G HA3 0.245 4.205 3.960 -0.000 0.000 0.239 165 G C -0.097 174.822 174.900 0.033 0.000 1.233 165 G CA -0.605 44.510 45.100 0.025 0.000 0.847 165 G HN 0.621 nan 8.290 nan 0.000 0.588 166 R N 0.569 121.089 120.500 0.035 0.000 2.548 166 R HA 0.299 4.639 4.340 -0.000 0.000 0.280 166 R C -1.320 175.016 176.300 0.060 0.000 1.061 166 R CA -0.828 55.296 56.100 0.039 0.000 0.915 166 R CB 1.590 31.899 30.300 0.015 0.000 1.210 166 R HN 0.310 nan 8.270 nan 0.000 0.442 167 D N 0.473 120.922 120.400 0.082 0.000 2.323 167 D HA -0.064 4.576 4.640 -0.000 0.000 0.209 167 D C -0.273 176.076 176.300 0.083 0.000 0.973 167 D CA 0.994 55.063 54.000 0.116 0.000 0.874 167 D CB 0.191 41.069 40.800 0.129 0.000 0.930 167 D HN 0.512 nan 8.370 nan 0.000 0.521 168 D N 0.655 121.092 120.400 0.061 0.000 2.346 168 D HA -0.035 4.605 4.640 -0.000 0.000 0.260 168 D C 1.727 178.057 176.300 0.050 0.000 1.252 168 D CA -0.153 53.888 54.000 0.068 0.000 0.895 168 D CB 1.249 42.095 40.800 0.077 0.000 1.097 168 D HN -0.088 nan 8.370 nan 0.000 0.489 169 V N 2.596 122.503 119.914 -0.012 0.000 2.594 169 V HA -0.166 3.954 4.120 -0.000 0.000 0.253 169 V C 1.873 177.984 176.094 0.029 0.000 1.069 169 V CA 1.039 63.320 62.300 -0.032 0.000 1.082 169 V CB -1.107 30.676 31.823 -0.067 0.000 0.680 169 V HN 0.359 nan 8.190 nan 0.000 0.469 170 F N 1.409 121.445 119.950 0.143 0.000 2.451 170 F HA 0.096 4.622 4.527 -0.000 0.000 0.299 170 F C 2.377 178.191 175.800 0.023 0.000 1.101 170 F CA 1.512 59.591 58.000 0.133 0.000 1.436 170 F CB -0.396 38.550 39.000 -0.090 0.000 1.074 170 F HN 0.281 nan 8.300 nan 0.000 0.553 171 E N -0.903 119.363 120.200 0.109 0.000 2.498 171 E HA 0.056 4.406 4.350 -0.000 0.000 0.203 171 E C 0.532 177.085 176.600 -0.078 0.000 1.013 171 E CA -0.129 56.265 56.400 -0.010 0.000 0.927 171 E CB 0.227 29.921 29.700 -0.010 0.000 1.012 171 E HN 0.446 nan 8.360 nan 0.000 0.482 172 Q N 1.515 121.273 119.800 -0.071 0.000 2.396 172 Q HA 0.225 4.565 4.340 -0.000 0.000 0.221 172 Q C 0.049 175.933 176.000 -0.194 0.000 1.025 172 Q CA -0.076 55.673 55.803 -0.091 0.000 0.946 172 Q CB 0.684 29.403 28.738 -0.033 0.000 1.224 172 Q HN 0.129 nan 8.270 nan 0.000 0.539 173 N N -1.485 117.154 118.700 -0.101 0.000 2.859 173 N HA 0.329 5.068 4.740 -0.000 0.000 0.250 173 N C -1.022 174.519 175.510 0.052 0.000 1.341 173 N CA -0.573 52.466 53.050 -0.019 0.000 0.881 173 N CB 1.026 39.499 38.487 -0.023 0.000 1.516 173 N HN 0.618 nan 8.380 nan 0.000 0.503 174 G N -0.297 108.572 108.800 0.115 0.000 2.532 174 G HA2 0.285 4.245 3.960 -0.000 0.000 0.291 174 G HA3 0.285 4.245 3.960 -0.000 0.000 0.291 174 G C -0.622 174.335 174.900 0.095 0.000 1.349 174 G CA -0.342 44.810 45.100 0.087 0.000 1.038 174 G HN 0.591 nan 8.290 nan 0.000 0.518 175 D N -0.235 120.218 120.400 0.088 0.000 2.493 175 D HA 0.431 5.071 4.640 -0.000 0.000 0.240 175 D C 0.585 176.956 176.300 0.119 0.000 1.142 175 D CA 0.893 54.958 54.000 0.109 0.000 0.872 175 D CB 1.167 42.031 40.800 0.107 0.000 1.173 175 D HN 0.541 nan 8.370 nan 0.000 0.467 176 G N -0.108 108.781 108.800 0.149 0.000 2.612 176 G HA2 0.554 4.514 3.960 -0.000 0.000 0.298 176 G HA3 0.554 4.514 3.960 -0.000 0.000 0.298 176 G C -1.405 173.576 174.900 0.135 0.000 1.336 176 G CA -0.581 44.598 45.100 0.131 0.000 0.953 176 G HN 0.405 nan 8.290 nan 0.000 0.482 177 V N 0.237 120.183 119.914 0.054 0.000 2.789 177 V HA 0.986 5.106 4.120 -0.000 0.000 0.311 177 V C 0.051 176.097 176.094 -0.079 0.000 1.073 177 V CA 0.317 62.583 62.300 -0.056 0.000 0.921 177 V CB 1.848 33.639 31.823 -0.053 0.000 1.009 177 V HN 1.471 nan 8.190 nan 0.000 0.426 178 G N 3.038 111.760 108.800 -0.130 0.000 2.690 178 G HA2 0.780 4.740 3.960 -0.000 0.000 0.293 178 G HA3 0.780 4.740 3.960 -0.000 0.000 0.293 178 G C -0.714 174.129 174.900 -0.093 0.000 1.399 178 G CA -0.223 44.819 45.100 -0.096 0.000 0.890 178 G HN 1.326 nan 8.290 nan 0.000 0.485 179 G N -0.784 107.981 108.800 -0.059 0.000 2.659 179 G HA2 0.795 4.755 3.960 -0.000 0.000 0.296 179 G HA3 0.795 4.755 3.960 -0.000 0.000 0.296 179 G C -0.661 174.235 174.900 -0.006 0.000 1.369 179 G CA 0.091 45.186 45.100 -0.009 0.000 0.937 179 G HN 1.586 nan 8.290 nan 0.000 0.485 180 S N -0.330 115.392 115.700 0.036 0.000 2.540 180 S HA 0.802 5.272 4.470 -0.000 0.000 0.275 180 S C -1.004 173.657 174.600 0.102 0.000 1.123 180 S CA -0.762 57.450 58.200 0.021 0.000 0.907 180 S CB 1.720 64.898 63.200 -0.036 0.000 1.081 180 S HN 0.649 nan 8.310 nan 0.000 0.476 181 I N 2.240 122.861 120.570 0.085 0.000 2.545 181 I HA 0.645 4.815 4.170 -0.000 0.000 0.292 181 I C -0.375 175.823 176.117 0.134 0.000 1.040 181 I CA -0.596 60.791 61.300 0.144 0.000 1.068 181 I CB 2.634 40.701 38.000 0.111 0.000 1.251 181 I HN 0.970 nan 8.210 nan 0.000 0.424 182 T N 1.488 116.165 114.554 0.206 0.000 2.900 182 T HA 0.590 4.940 4.350 -0.000 0.000 0.303 182 T C -1.480 173.432 174.700 0.354 0.000 1.142 182 T CA -0.809 61.462 62.100 0.284 0.000 1.007 182 T CB 2.150 71.217 68.868 0.331 0.000 1.156 182 T HN 0.454 nan 8.240 nan 0.000 0.490 183 Y N 1.768 122.202 120.300 0.223 0.000 2.354 183 Y HA 0.538 5.088 4.550 -0.000 0.000 0.330 183 Y C -1.100 174.900 175.900 0.167 0.000 1.011 183 Y CA -1.046 57.156 58.100 0.170 0.000 1.099 183 Y CB 1.648 40.183 38.460 0.125 0.000 1.179 183 Y HN 0.820 nan 8.280 nan 0.000 0.442 184 N N 5.238 123.704 118.700 -0.389 0.000 2.321 184 N HA 0.310 5.050 4.740 -0.000 0.000 0.299 184 N C -2.127 173.116 175.510 -0.445 0.000 1.048 184 N CA -0.601 52.256 53.050 -0.323 0.000 0.836 184 N CB 2.590 40.943 38.487 -0.225 0.000 1.269 184 N HN 0.687 nan 8.380 nan 0.000 0.486 185 Y N 0.745 120.860 120.300 -0.309 0.000 2.323 185 Y HA 0.066 4.616 4.550 -0.000 0.000 0.322 185 Y C -0.357 175.570 175.900 0.044 0.000 1.133 185 Y CA -0.387 57.617 58.100 -0.160 0.000 1.093 185 Y CB 0.732 39.151 38.460 -0.070 0.000 1.203 185 Y HN 0.653 nan 8.280 nan 0.000 0.427 186 E N 4.446 124.379 120.200 -0.445 0.000 2.269 186 E HA -0.303 4.047 4.350 -0.000 0.000 0.223 186 E C 1.076 177.555 176.600 -0.203 0.000 1.244 186 E CA 1.331 57.553 56.400 -0.297 0.000 0.713 186 E CB -1.167 28.381 29.700 -0.253 0.000 1.178 186 E HN 1.286 nan 8.360 nan 0.000 0.370 187 G N -0.875 107.741 108.800 -0.308 0.000 2.268 187 G HA2 -0.333 3.626 3.960 -0.000 0.000 0.240 187 G HA3 -0.333 3.626 3.960 -0.000 0.000 0.240 187 G C 0.059 174.638 174.900 -0.536 0.000 1.010 187 G CA 0.113 44.881 45.100 -0.554 0.000 0.618 187 G HN 0.242 nan 8.290 nan 0.000 0.516 188 F N 1.978 121.899 119.950 -0.048 0.000 2.410 188 F HA 0.589 5.115 4.527 -0.000 0.000 0.348 188 F C 1.062 176.810 175.800 -0.086 0.000 1.106 188 F CA 0.229 58.251 58.000 0.036 0.000 1.163 188 F CB 1.717 40.808 39.000 0.152 0.000 1.129 188 F HN 0.283 nan 8.300 nan 0.000 0.516 189 G N 3.779 112.576 108.800 -0.006 0.000 2.495 189 G HA2 0.697 4.657 3.960 -0.000 0.000 0.318 189 G HA3 0.697 4.657 3.960 -0.000 0.000 0.318 189 G C -1.815 173.148 174.900 0.106 0.000 1.257 189 G CA -0.657 44.340 45.100 -0.173 0.000 0.962 189 G HN 0.696 nan 8.290 nan 0.000 0.483 190 I N 1.135 121.910 120.570 0.342 0.000 2.692 190 I HA 0.769 4.938 4.170 -0.000 0.000 0.293 190 I C -0.252 176.176 176.117 0.519 0.000 1.200 190 I CA -0.595 60.980 61.300 0.459 0.000 1.036 190 I CB 2.197 40.376 38.000 0.299 0.000 1.258 190 I HN 0.798 nan 8.210 nan 0.000 0.421 191 G N 4.942 113.956 108.800 0.356 0.000 2.718 191 G HA2 0.808 4.767 3.960 -0.000 0.000 0.295 191 G HA3 0.808 4.767 3.960 -0.000 0.000 0.295 191 G C -2.117 172.772 174.900 -0.018 0.000 1.421 191 G CA -0.339 44.822 45.100 0.100 0.000 0.902 191 G HN 0.848 nan 8.290 nan 0.000 0.501 192 A N -0.484 122.325 122.820 -0.017 0.000 2.435 192 A HA 1.050 5.370 4.320 -0.000 0.000 0.304 192 A C -0.232 177.323 177.584 -0.048 0.000 1.064 192 A CA -0.086 51.940 52.037 -0.018 0.000 0.727 192 A CB 1.855 20.875 19.000 0.034 0.000 1.284 192 A HN 2.354 nan 8.150 nan 0.000 0.415 193 A N 0.514 123.302 122.820 -0.054 0.000 2.515 193 A HA 0.791 5.110 4.320 -0.000 0.000 0.298 193 A C -1.400 176.151 177.584 -0.055 0.000 1.059 193 A CA -0.506 51.489 52.037 -0.070 0.000 0.698 193 A CB 1.609 20.529 19.000 -0.133 0.000 1.289 193 A HN 1.537 nan 8.150 nan 0.000 0.404 194 V N 1.292 121.160 119.914 -0.076 0.000 2.808 194 V HA 0.788 4.908 4.120 -0.000 0.000 0.308 194 V C -0.249 175.744 176.094 -0.168 0.000 1.099 194 V CA -0.064 62.151 62.300 -0.141 0.000 0.920 194 V CB 2.197 33.985 31.823 -0.058 0.000 1.014 194 V HN 1.458 nan 8.190 nan 0.000 0.425 195 S N 2.061 117.610 115.700 -0.252 0.000 2.546 195 S HA 0.834 5.304 4.470 -0.000 0.000 0.274 195 S C -0.871 173.599 174.600 -0.217 0.000 1.121 195 S CA -0.676 57.419 58.200 -0.174 0.000 0.887 195 S CB 2.104 65.240 63.200 -0.108 0.000 1.094 195 S HN 0.852 nan 8.310 nan 0.000 0.474 196 S N 1.512 117.134 115.700 -0.131 0.000 2.775 196 S HA 0.667 5.137 4.470 -0.000 0.000 0.277 196 S C -1.182 173.380 174.600 -0.065 0.000 1.156 196 S CA -0.427 57.700 58.200 -0.122 0.000 1.081 196 S CB 0.710 63.857 63.200 -0.088 0.000 1.054 196 S HN 0.770 nan 8.310 nan 0.000 0.482 197 S N 3.591 119.228 115.700 -0.104 0.000 2.503 197 S HA 0.481 4.951 4.470 -0.000 0.000 0.301 197 S C -0.564 173.994 174.600 -0.070 0.000 1.087 197 S CA -0.834 57.348 58.200 -0.030 0.000 1.042 197 S CB 1.559 64.799 63.200 0.066 0.000 1.043 197 S HN 0.736 nan 8.310 nan 0.000 0.489 198 K N 1.736 122.145 120.400 0.015 0.000 2.249 198 K HA 0.263 4.583 4.320 -0.000 0.000 0.280 198 K C -0.424 176.205 176.600 0.049 0.000 1.033 198 K CA -0.315 55.977 56.287 0.008 0.000 0.946 198 K CB 0.518 33.040 32.500 0.036 0.000 1.005 198 K HN 0.501 nan 8.250 nan 0.000 0.469 199 R N 1.671 122.167 120.500 -0.007 0.000 2.349 199 R HA 0.123 4.463 4.340 -0.000 0.000 0.299 199 R C 0.182 176.491 176.300 0.015 0.000 1.027 199 R CA -0.477 55.631 56.100 0.015 0.000 0.958 199 R CB 1.294 31.514 30.300 -0.133 0.000 1.047 199 R HN 0.743 nan 8.270 nan 0.000 0.468 200 T N -1.588 112.985 114.554 0.031 0.000 2.754 200 T HA -0.012 4.337 4.350 -0.000 0.000 0.286 200 T C 0.933 175.682 174.700 0.081 0.000 0.997 200 T CA -0.596 61.544 62.100 0.067 0.000 0.982 200 T CB 0.710 69.617 68.868 0.065 0.000 1.027 200 T HN 0.779 nan 8.240 nan 0.000 0.529 201 W N 0.700 121.980 121.300 -0.033 0.000 2.358 201 W HA -0.035 4.625 4.660 -0.000 0.000 0.303 201 W C 1.709 178.213 176.519 -0.026 0.000 1.208 201 W CA 1.580 58.907 57.345 -0.030 0.000 1.274 201 W CB -0.366 29.077 29.460 -0.030 0.000 1.138 201 W HN 0.777 nan 8.180 nan 0.000 0.515 202 D N -0.181 120.346 120.400 0.210 0.000 2.149 202 D HA -0.242 4.398 4.640 -0.000 0.000 0.198 202 D C 2.121 178.377 176.300 -0.073 0.000 0.990 202 D CA 1.915 55.956 54.000 0.069 0.000 0.839 202 D CB -0.609 40.265 40.800 0.123 0.000 0.948 202 D HN 0.494 nan 8.370 nan 0.000 0.460 203 Q N -0.291 119.472 119.800 -0.062 0.000 2.369 203 Q HA 0.019 4.358 4.340 -0.000 0.000 0.206 203 Q C 0.954 176.881 176.000 -0.121 0.000 0.963 203 Q CA 0.636 56.406 55.803 -0.054 0.000 0.894 203 Q CB 0.003 28.615 28.738 -0.211 0.000 0.965 203 Q HN 0.160 nan 8.270 nan 0.000 0.475 204 N N 0.465 119.028 118.700 -0.228 0.000 2.254 204 N HA 0.063 4.802 4.740 -0.000 0.000 0.190 204 N C -0.007 175.293 175.510 -0.349 0.000 1.107 204 N CA 0.234 53.134 53.050 -0.250 0.000 0.869 204 N CB 0.568 38.901 38.487 -0.258 0.000 0.983 204 N HN 0.240 nan 8.380 nan 0.000 0.487 205 N N 0.098 118.491 118.700 -0.511 0.000 2.571 205 N HA 0.099 4.839 4.740 -0.000 0.000 0.298 205 N C -0.130 175.173 175.510 -0.345 0.000 1.671 205 N CA 0.216 52.897 53.050 -0.616 0.000 0.900 205 N CB 1.014 38.618 38.487 -1.471 0.000 1.365 205 N HN 0.123 nan 8.380 nan 0.000 0.493 206 T N -4.244 110.210 114.554 -0.168 0.000 3.275 206 T HA 0.314 4.663 4.350 -0.000 0.000 0.298 206 T C 1.123 175.808 174.700 -0.025 0.000 0.988 206 T CA 0.217 62.277 62.100 -0.066 0.000 0.936 206 T CB 0.666 69.513 68.868 -0.035 0.000 1.159 206 T HN 0.203 nan 8.240 nan 0.000 0.519 207 G N 1.543 110.328 108.800 -0.026 0.000 2.179 207 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.260 207 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.260 207 G C -0.018 174.905 174.900 0.038 0.000 0.977 207 G CA 0.184 45.287 45.100 0.005 0.000 0.641 207 G HN 0.644 nan 8.290 nan 0.000 0.533 208 L N 0.934 122.194 121.223 0.062 0.000 2.468 208 L HA 0.650 4.990 4.340 -0.000 0.000 0.254 208 L C 1.644 178.615 176.870 0.168 0.000 1.171 208 L CA -0.887 54.018 54.840 0.109 0.000 0.809 208 L CB 0.540 42.660 42.059 0.103 0.000 1.155 208 L HN 0.376 nan 8.230 nan 0.000 0.473 209 I N -1.853 118.840 120.570 0.205 0.000 2.834 209 I HA 0.596 4.766 4.170 -0.000 0.000 0.305 209 I C 0.928 177.255 176.117 0.350 0.000 1.008 209 I CA -0.315 61.125 61.300 0.234 0.000 1.273 209 I CB 1.113 39.254 38.000 0.235 0.000 1.432 209 I HN 0.745 nan 8.210 nan 0.000 0.557 210 G N 2.358 111.328 108.800 0.283 0.000 2.198 210 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.257 210 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.257 210 G C 0.157 175.185 174.900 0.213 0.000 1.042 210 G CA 0.290 45.571 45.100 0.301 0.000 0.791 210 G HN 1.256 nan 8.290 nan 0.000 0.502 211 T N -1.697 112.939 114.554 0.137 0.000 2.868 211 T HA 0.801 5.151 4.350 -0.000 0.000 0.292 211 T C 0.702 175.388 174.700 -0.024 0.000 1.028 211 T CA 0.429 62.537 62.100 0.013 0.000 1.059 211 T CB 2.563 71.431 68.868 0.000 0.000 0.991 211 T HN 2.064 nan 8.240 nan 0.000 0.531 212 G N 0.660 109.411 108.800 -0.080 0.000 2.325 212 G HA2 0.300 4.260 3.960 -0.000 0.000 0.297 212 G HA3 0.300 4.260 3.960 -0.000 0.000 0.297 212 G C -0.264 174.579 174.900 -0.095 0.000 1.448 212 G CA -0.077 44.982 45.100 -0.068 0.000 0.838 212 G HN 0.643 nan 8.290 nan 0.000 0.579 213 D N -0.640 119.718 120.400 -0.070 0.000 2.097 213 D HA 0.043 4.682 4.640 -0.000 0.000 0.197 213 D C 1.069 177.317 176.300 -0.087 0.000 0.984 213 D CA 1.223 55.186 54.000 -0.062 0.000 0.826 213 D CB 0.185 40.963 40.800 -0.038 0.000 0.973 213 D HN 0.419 nan 8.370 nan 0.000 0.460 214 R N -0.718 119.715 120.500 -0.112 0.000 2.795 214 R HA 0.739 5.079 4.340 -0.000 0.000 0.275 214 R C -1.082 175.068 176.300 -0.249 0.000 0.981 214 R CA -0.986 55.021 56.100 -0.155 0.000 0.917 214 R CB 2.239 32.473 30.300 -0.109 0.000 1.202 214 R HN -0.038 nan 8.270 nan 0.000 0.469 215 A N 1.822 124.387 122.820 -0.425 0.000 2.305 215 A HA 0.496 4.816 4.320 -0.000 0.000 0.322 215 A C -0.735 176.623 177.584 -0.377 0.000 1.187 215 A CA -0.453 51.215 52.037 -0.614 0.000 0.825 215 A CB 0.728 18.759 19.000 -1.615 0.000 1.164 215 A HN 0.745 nan 8.150 nan 0.000 0.498 216 E N 0.542 120.613 120.200 -0.215 0.000 2.308 216 E HA 0.550 4.900 4.350 -0.000 0.000 0.275 216 E C -1.104 175.408 176.600 -0.147 0.000 0.890 216 E CA -0.733 55.560 56.400 -0.179 0.000 0.754 216 E CB 2.393 32.061 29.700 -0.054 0.000 1.207 216 E HN 0.721 nan 8.360 nan 0.000 0.426 217 T N -0.568 113.773 114.554 -0.356 0.000 2.886 217 T HA 0.602 4.952 4.350 -0.000 0.000 0.292 217 T C -1.292 173.103 174.700 -0.508 0.000 1.012 217 T CA -0.665 61.278 62.100 -0.262 0.000 0.982 217 T CB 0.553 69.330 68.868 -0.153 0.000 1.018 217 T HN 0.372 nan 8.240 nan 0.000 0.451 218 Y N 0.981 121.289 120.300 0.013 0.000 2.326 218 Y HA 0.582 5.132 4.550 -0.000 0.000 0.329 218 Y C 0.350 176.235 175.900 -0.024 0.000 0.973 218 Y CA -0.871 57.238 58.100 0.015 0.000 1.162 218 Y CB 2.468 40.971 38.460 0.071 0.000 1.147 218 Y HN 0.734 nan 8.280 nan 0.000 0.456 219 T N 2.383 116.980 114.554 0.072 0.000 2.824 219 T HA 0.711 5.061 4.350 -0.000 0.000 0.282 219 T C 0.023 174.745 174.700 0.037 0.000 0.993 219 T CA -0.880 61.225 62.100 0.008 0.000 0.967 219 T CB 1.620 70.433 68.868 -0.091 0.000 0.960 219 T HN 0.852 nan 8.240 nan 0.000 0.441 220 G N 0.428 109.281 108.800 0.088 0.000 2.481 220 G HA2 0.767 4.727 3.960 -0.000 0.000 0.315 220 G HA3 0.767 4.727 3.960 -0.000 0.000 0.315 220 G C -0.732 174.217 174.900 0.083 0.000 1.231 220 G CA -0.925 44.232 45.100 0.095 0.000 0.968 220 G HN 0.953 nan 8.290 nan 0.000 0.482 221 G N -0.582 108.261 108.800 0.071 0.000 2.742 221 G HA2 0.610 4.569 3.960 -0.000 0.000 0.296 221 G HA3 0.610 4.569 3.960 -0.000 0.000 0.296 221 G C -1.508 173.604 174.900 0.355 0.000 1.436 221 G CA -0.616 44.560 45.100 0.127 0.000 0.928 221 G HN 0.675 nan 8.290 nan 0.000 0.520 222 L N 0.671 122.137 121.223 0.405 0.000 2.409 222 L HA 0.791 5.131 4.340 -0.000 0.000 0.262 222 L C -0.311 176.711 176.870 0.254 0.000 0.992 222 L CA -0.975 54.078 54.840 0.355 0.000 0.817 222 L CB 2.926 45.120 42.059 0.225 0.000 1.350 222 L HN 0.854 nan 8.230 nan 0.000 0.411 223 K N 0.917 121.346 120.400 0.048 0.000 2.556 223 K HA 0.587 4.906 4.320 -0.000 0.000 0.274 223 K C -2.011 174.488 176.600 -0.168 0.000 0.966 223 K CA -0.994 55.178 56.287 -0.192 0.000 0.865 223 K CB 2.305 34.495 32.500 -0.517 0.000 1.444 223 K HN 0.362 nan 8.250 nan 0.000 0.433 224 Y N 1.171 121.208 120.300 -0.439 0.000 2.373 224 Y HA 0.421 4.971 4.550 -0.000 0.000 0.336 224 Y C -1.825 173.753 175.900 -0.538 0.000 0.979 224 Y CA -0.797 57.024 58.100 -0.465 0.000 1.080 224 Y CB 2.204 40.447 38.460 -0.362 0.000 1.190 224 Y HN 0.874 nan 8.280 nan 0.000 0.446 225 D N 4.939 124.725 120.400 -1.022 0.000 2.429 225 D HA 0.668 5.308 4.640 -0.000 0.000 0.255 225 D C -1.609 174.223 176.300 -0.780 0.000 1.257 225 D CA 0.147 53.738 54.000 -0.681 0.000 0.890 225 D CB 0.393 40.970 40.800 -0.371 0.000 1.267 225 D HN 0.816 nan 8.370 nan 0.000 0.521 226 A N 2.405 124.681 122.820 -0.906 0.000 2.597 226 A HA 0.557 4.877 4.320 -0.000 0.000 0.292 226 A C -0.324 177.032 177.584 -0.380 0.000 1.057 226 A CA -0.761 50.890 52.037 -0.644 0.000 0.674 226 A CB 0.784 19.341 19.000 -0.739 0.000 1.278 226 A HN 0.224 nan 8.150 nan 0.000 0.416 227 N N 1.547 120.111 118.700 -0.227 0.000 2.735 227 N HA -0.202 4.538 4.740 -0.000 0.000 0.248 227 N C 0.207 175.620 175.510 -0.162 0.000 1.083 227 N CA 1.405 54.381 53.050 -0.125 0.000 0.703 227 N CB -1.028 37.452 38.487 -0.012 0.000 1.005 227 N HN 0.955 nan 8.380 nan 0.000 0.550 228 N N -2.371 116.175 118.700 -0.257 0.000 2.863 228 N HA -0.221 4.518 4.740 -0.000 0.000 0.245 228 N C -0.229 175.041 175.510 -0.400 0.000 1.001 228 N CA 1.359 54.168 53.050 -0.402 0.000 0.901 228 N CB -1.254 36.873 38.487 -0.598 0.000 1.124 228 N HN 0.620 nan 8.380 nan 0.000 0.582 229 I N 0.454 120.924 120.570 -0.166 0.000 2.377 229 I HA 0.296 4.466 4.170 -0.000 0.000 0.293 229 I C -0.362 175.764 176.117 0.016 0.000 0.987 229 I CA -0.833 60.477 61.300 0.018 0.000 1.185 229 I CB 1.337 39.452 38.000 0.190 0.000 1.341 229 I HN -0.039 nan 8.210 nan 0.000 0.455 230 Y N 7.168 127.435 120.300 -0.054 0.000 2.338 230 Y HA 0.647 5.197 4.550 -0.000 0.000 0.328 230 Y C -1.382 174.525 175.900 0.011 0.000 0.965 230 Y CA -0.590 57.466 58.100 -0.073 0.000 1.208 230 Y CB 1.060 39.459 38.460 -0.103 0.000 1.132 230 Y HN 0.368 nan 8.280 nan 0.000 0.469 231 L N 5.685 126.702 121.223 -0.343 0.000 2.365 231 L HA 0.984 5.324 4.340 -0.000 0.000 0.273 231 L C -0.757 175.887 176.870 -0.376 0.000 1.000 231 L CA -0.988 53.739 54.840 -0.189 0.000 0.819 231 L CB 1.933 43.976 42.059 -0.026 0.000 1.284 231 L HN 0.733 nan 8.230 nan 0.000 0.418 232 A N 2.428 125.153 122.820 -0.158 0.000 2.604 232 A HA 0.956 5.276 4.320 -0.000 0.000 0.295 232 A C -1.588 176.022 177.584 0.044 0.000 1.067 232 A CA -0.264 51.733 52.037 -0.067 0.000 0.683 232 A CB 1.986 20.971 19.000 -0.024 0.000 1.281 232 A HN 0.814 nan 8.150 nan 0.000 0.407 233 A N 0.800 123.678 122.820 0.096 0.000 2.549 233 A HA 0.850 5.169 4.320 -0.000 0.000 0.297 233 A C -1.045 176.593 177.584 0.089 0.000 1.061 233 A CA -0.307 51.749 52.037 0.032 0.000 0.690 233 A CB 1.727 20.796 19.000 0.114 0.000 1.287 233 A HN 2.008 nan 8.150 nan 0.000 0.402 234 Q N 0.085 119.875 119.800 -0.015 0.000 2.315 234 Q HA 0.667 5.007 4.340 -0.000 0.000 0.273 234 Q C -1.859 174.253 176.000 0.186 0.000 1.053 234 Q CA -0.591 55.253 55.803 0.069 0.000 0.817 234 Q CB 1.654 30.388 28.738 -0.006 0.000 1.326 234 Q HN 0.939 nan 8.270 nan 0.000 0.423 235 Y N 1.362 121.753 120.300 0.153 0.000 2.326 235 Y HA 0.662 5.212 4.550 -0.000 0.000 0.329 235 Y C -1.402 174.579 175.900 0.135 0.000 0.973 235 Y CA -0.387 57.852 58.100 0.231 0.000 1.162 235 Y CB 2.210 40.844 38.460 0.289 0.000 1.147 235 Y HN 0.822 nan 8.280 nan 0.000 0.456 236 T N 6.443 120.715 114.554 -0.470 0.000 2.807 236 T HA 0.286 4.636 4.350 -0.000 0.000 0.279 236 T C -1.141 173.213 174.700 -0.577 0.000 0.993 236 T CA -0.641 61.234 62.100 -0.374 0.000 0.970 236 T CB 1.325 70.098 68.868 -0.158 0.000 0.950 236 T HN 0.648 nan 8.240 nan 0.000 0.441 237 Q N 2.548 122.148 119.800 -0.334 0.000 2.348 237 Q HA 0.537 4.877 4.340 -0.000 0.000 0.265 237 Q C -0.365 175.592 176.000 -0.070 0.000 0.998 237 Q CA -0.650 55.025 55.803 -0.213 0.000 0.831 237 Q CB 0.814 29.541 28.738 -0.018 0.000 1.251 237 Q HN 0.812 nan 8.270 nan 0.000 0.456 238 T N 0.550 114.973 114.554 -0.218 0.000 2.940 238 T HA 0.601 4.951 4.350 -0.000 0.000 0.288 238 T C -0.999 173.463 174.700 -0.397 0.000 1.033 238 T CA -0.480 61.535 62.100 -0.141 0.000 1.033 238 T CB 0.900 69.740 68.868 -0.046 0.000 1.079 238 T HN 0.424 nan 8.240 nan 0.000 0.496 239 Y N 0.859 121.179 120.300 0.033 0.000 2.346 239 Y HA 0.418 4.968 4.550 -0.000 0.000 0.332 239 Y C 0.593 176.458 175.900 -0.058 0.000 0.985 239 Y CA -1.153 56.959 58.100 0.021 0.000 1.112 239 Y CB 1.468 39.953 38.460 0.041 0.000 1.170 239 Y HN 0.794 nan 8.280 nan 0.000 0.447 240 N N 0.772 119.530 118.700 0.096 0.000 2.693 240 N HA -0.255 4.485 4.740 -0.000 0.000 0.249 240 N C 0.449 175.876 175.510 -0.137 0.000 1.119 240 N CA 1.174 54.220 53.050 -0.007 0.000 0.717 240 N CB -0.892 37.523 38.487 -0.120 0.000 1.071 240 N HN 0.803 nan 8.380 nan 0.000 0.555 241 A N -1.307 121.533 122.820 0.032 0.000 2.026 241 A HA 0.186 4.506 4.320 -0.000 0.000 0.198 241 A C 0.878 178.744 177.584 0.471 0.000 1.390 241 A CA 0.634 52.730 52.037 0.100 0.000 0.915 241 A CB 0.307 19.283 19.000 -0.041 0.000 0.974 241 A HN 0.179 nan 8.150 nan 0.000 0.477 242 T N 1.609 116.379 114.554 0.360 0.000 2.794 242 T HA 0.348 4.698 4.350 -0.000 0.000 0.296 242 T C 0.178 175.106 174.700 0.381 0.000 0.949 242 T CA -0.217 62.080 62.100 0.327 0.000 1.101 242 T CB 0.690 69.670 68.868 0.186 0.000 0.905 242 T HN 0.429 nan 8.240 nan 0.000 0.516 243 R N 2.545 123.201 120.500 0.260 0.000 2.438 243 R HA 0.333 4.672 4.340 -0.000 0.000 0.287 243 R C -0.978 175.306 176.300 -0.027 0.000 1.077 243 R CA -0.277 55.837 56.100 0.023 0.000 1.034 243 R CB 0.351 30.569 30.300 -0.136 0.000 0.993 243 R HN 0.419 nan 8.270 nan 0.000 0.459 244 V N 6.271 126.139 119.914 -0.076 0.000 2.235 244 V HA 0.293 4.413 4.120 -0.000 0.000 0.266 244 V C 1.126 177.097 176.094 -0.206 0.000 1.055 244 V CA 0.228 62.502 62.300 -0.045 0.000 0.844 244 V CB -0.018 31.871 31.823 0.110 0.000 1.097 244 V HN 1.198 nan 8.190 nan 0.000 0.453 245 G N 4.467 113.101 108.800 -0.276 0.000 2.634 245 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.309 245 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.309 245 G C 1.184 175.828 174.900 -0.426 0.000 1.265 245 G CA 0.893 45.790 45.100 -0.338 0.000 0.998 245 G HN 1.201 nan 8.290 nan 0.000 0.551 246 S N 0.035 115.549 115.700 -0.311 0.000 2.524 246 S HA 0.322 4.792 4.470 -0.000 0.000 0.216 246 S C 2.382 176.945 174.600 -0.061 0.000 0.987 246 S CA 1.067 59.132 58.200 -0.226 0.000 0.909 246 S CB 0.121 63.237 63.200 -0.140 0.000 0.781 246 S HN 0.603 nan 8.310 nan 0.000 0.521 247 L N 1.165 122.342 121.223 -0.078 0.000 2.131 247 L HA 0.196 4.536 4.340 -0.000 0.000 0.210 247 L C 1.789 178.707 176.870 0.080 0.000 1.092 247 L CA 1.053 55.912 54.840 0.031 0.000 0.759 247 L CB -1.035 41.065 42.059 0.069 0.000 0.903 247 L HN 0.688 nan 8.230 nan 0.000 0.435 248 G N -2.430 106.394 108.800 0.041 0.000 2.295 248 G HA2 -0.067 3.892 3.960 -0.000 0.000 0.155 248 G HA3 -0.067 3.892 3.960 -0.000 0.000 0.155 248 G C -1.706 173.107 174.900 -0.145 0.000 1.307 248 G CA -0.668 44.394 45.100 -0.062 0.000 1.140 248 G HN -0.019 nan 8.290 nan 0.000 0.470 249 W N 0.531 121.989 121.300 0.264 0.000 2.762 249 W HA 0.717 5.376 4.660 -0.000 0.000 0.355 249 W C 0.206 176.827 176.519 0.170 0.000 1.124 249 W CA -0.284 57.199 57.345 0.230 0.000 1.141 249 W CB 2.042 31.639 29.460 0.229 0.000 1.432 249 W HN 0.932 nan 8.180 nan 0.000 0.586 250 A N 2.039 125.084 122.820 0.376 0.000 2.269 250 A HA 0.196 4.516 4.320 -0.000 0.000 0.302 250 A C 0.966 178.664 177.584 0.191 0.000 1.266 250 A CA -0.357 51.819 52.037 0.232 0.000 0.894 250 A CB 0.164 19.256 19.000 0.154 0.000 1.147 250 A HN 0.653 nan 8.150 nan 0.000 0.537 251 N N 1.305 120.108 118.700 0.172 0.000 2.064 251 N HA -0.180 4.560 4.740 -0.000 0.000 0.200 251 N C 0.595 176.174 175.510 0.115 0.000 1.028 251 N CA 1.750 54.888 53.050 0.147 0.000 0.880 251 N CB -0.135 38.430 38.487 0.131 0.000 1.062 251 N HN 0.793 nan 8.380 nan 0.000 0.454 252 K N -0.282 120.141 120.400 0.039 0.000 2.422 252 K HA 0.631 4.951 4.320 -0.000 0.000 0.251 252 K C -1.811 174.726 176.600 -0.106 0.000 0.933 252 K CA -0.615 55.592 56.287 -0.133 0.000 0.798 252 K CB 2.134 34.575 32.500 -0.099 0.000 1.238 252 K HN 0.085 nan 8.250 nan 0.000 0.428 253 A N 3.159 125.868 122.820 -0.185 0.000 2.486 253 A HA 0.437 4.756 4.320 -0.000 0.000 0.300 253 A C -1.678 175.836 177.584 -0.117 0.000 1.048 253 A CA -0.746 51.238 52.037 -0.088 0.000 0.696 253 A CB 1.776 20.762 19.000 -0.023 0.000 1.278 253 A HN 0.703 nan 8.150 nan 0.000 0.405 254 Q N 1.844 121.623 119.800 -0.035 0.000 2.363 254 Q HA 0.353 4.693 4.340 -0.000 0.000 0.265 254 Q C -1.191 174.831 176.000 0.037 0.000 1.032 254 Q CA -0.749 55.051 55.803 -0.005 0.000 0.746 254 Q CB 1.624 30.476 28.738 0.189 0.000 1.237 254 Q HN 0.681 nan 8.270 nan 0.000 0.475 255 N N 2.286 120.930 118.700 -0.095 0.000 2.399 255 N HA 0.512 5.251 4.740 -0.000 0.000 0.295 255 N C -1.437 174.180 175.510 0.179 0.000 1.048 255 N CA -0.265 52.805 53.050 0.035 0.000 0.886 255 N CB 1.388 39.881 38.487 0.010 0.000 1.185 255 N HN 0.442 nan 8.380 nan 0.000 0.487 256 F N 0.704 120.726 119.950 0.120 0.000 2.574 256 F HA 0.380 4.907 4.527 -0.000 0.000 0.313 256 F C -1.030 174.854 175.800 0.139 0.000 1.130 256 F CA -0.639 57.493 58.000 0.219 0.000 0.936 256 F CB 1.535 40.731 39.000 0.326 0.000 1.219 256 F HN 0.354 nan 8.300 nan 0.000 0.445 257 E N 4.648 124.469 120.200 -0.631 0.000 2.256 257 E HA 0.767 5.117 4.350 -0.000 0.000 0.268 257 E C -1.508 174.690 176.600 -0.669 0.000 0.877 257 E CA -1.290 54.823 56.400 -0.479 0.000 0.757 257 E CB 2.199 31.794 29.700 -0.174 0.000 1.183 257 E HN 0.705 nan 8.360 nan 0.000 0.418 258 A N 2.049 124.641 122.820 -0.380 0.000 2.422 258 A HA 0.740 5.059 4.320 -0.000 0.000 0.302 258 A C -1.067 176.524 177.584 0.012 0.000 1.041 258 A CA -0.635 51.298 52.037 -0.174 0.000 0.708 258 A CB 1.398 20.370 19.000 -0.047 0.000 1.257 258 A HN 0.305 nan 8.150 nan 0.000 0.414 259 V N -0.157 119.793 119.914 0.061 0.000 2.925 259 V HA 0.899 5.019 4.120 -0.000 0.000 0.311 259 V C -0.011 176.161 176.094 0.130 0.000 1.104 259 V CA -0.377 61.994 62.300 0.118 0.000 0.954 259 V CB 1.712 33.639 31.823 0.174 0.000 1.022 259 V HN 1.701 nan 8.190 nan 0.000 0.427 260 A N 3.085 125.989 122.820 0.140 0.000 2.381 260 A HA 0.875 5.195 4.320 -0.000 0.000 0.299 260 A C -0.890 176.789 177.584 0.160 0.000 1.049 260 A CA -0.524 51.595 52.037 0.138 0.000 0.715 260 A CB 1.725 20.788 19.000 0.104 0.000 1.222 260 A HN 0.827 nan 8.150 nan 0.000 0.428 261 Q N 0.166 120.078 119.800 0.186 0.000 2.421 261 Q HA 0.573 4.912 4.340 -0.000 0.000 0.280 261 Q C -2.066 174.037 176.000 0.172 0.000 1.085 261 Q CA -0.668 55.235 55.803 0.167 0.000 0.807 261 Q CB 3.082 31.904 28.738 0.140 0.000 1.405 261 Q HN 0.741 nan 8.270 nan 0.000 0.419 262 Y N 0.929 121.211 120.300 -0.029 0.000 2.386 262 Y HA 0.292 4.841 4.550 -0.000 0.000 0.334 262 Y C -1.316 174.461 175.900 -0.205 0.000 1.002 262 Y CA -0.701 57.306 58.100 -0.156 0.000 1.068 262 Y CB 1.988 40.284 38.460 -0.272 0.000 1.203 262 Y HN 0.514 nan 8.280 nan 0.000 0.443 263 Q N 5.531 124.866 119.800 -0.775 0.000 2.390 263 Q HA 0.368 4.708 4.340 -0.000 0.000 0.249 263 Q C -1.697 173.858 176.000 -0.741 0.000 0.996 263 Q CA -0.177 55.297 55.803 -0.548 0.000 0.899 263 Q CB 0.041 28.529 28.738 -0.416 0.000 1.216 263 Q HN 0.562 nan 8.270 nan 0.000 0.465 264 F N 1.928 121.655 119.950 -0.373 0.000 2.450 264 F HA 0.047 4.574 4.527 -0.000 0.000 0.339 264 F C 1.452 176.976 175.800 -0.459 0.000 1.146 264 F CA 0.250 58.000 58.000 -0.417 0.000 1.267 264 F CB 0.729 39.229 39.000 -0.833 0.000 1.178 264 F HN 0.604 nan 8.300 nan 0.000 0.585 265 D N 1.722 122.067 120.400 -0.092 0.000 2.144 265 D HA -0.208 4.432 4.640 -0.000 0.000 0.199 265 D C 1.973 178.273 176.300 -0.000 0.000 0.984 265 D CA 1.623 55.603 54.000 -0.034 0.000 0.834 265 D CB -0.257 40.594 40.800 0.086 0.000 0.955 265 D HN 0.548 nan 8.370 nan 0.000 0.465 266 F N -1.047 118.990 119.950 0.146 0.000 2.771 266 F HA 0.309 4.836 4.527 -0.000 0.000 0.299 266 F C 1.522 177.361 175.800 0.065 0.000 1.177 266 F CA 0.596 58.668 58.000 0.119 0.000 1.450 266 F CB -0.077 39.008 39.000 0.143 0.000 1.114 266 F HN 0.007 nan 8.300 nan 0.000 0.587 267 G N 0.415 109.092 108.800 -0.205 0.000 2.296 267 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.188 267 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.188 267 G C -0.350 174.409 174.900 -0.234 0.000 1.000 267 G CA -0.200 44.729 45.100 -0.286 0.000 0.672 267 G HN 0.378 nan 8.290 nan 0.000 0.483 268 L N 1.623 122.772 121.223 -0.123 0.000 2.380 268 L HA 0.767 5.107 4.340 -0.000 0.000 0.273 268 L C 0.624 177.610 176.870 0.193 0.000 1.138 268 L CA -0.291 54.638 54.840 0.149 0.000 0.832 268 L CB 0.866 43.086 42.059 0.268 0.000 1.124 268 L HN 0.230 nan 8.230 nan 0.000 0.454 269 R N 5.854 126.467 120.500 0.187 0.000 2.487 269 R HA 0.464 4.804 4.340 -0.000 0.000 0.288 269 R C -2.672 173.733 176.300 0.176 0.000 1.394 269 R CA -1.649 54.554 56.100 0.172 0.000 1.155 269 R CB 1.087 31.498 30.300 0.185 0.000 1.156 269 R HN 0.438 nan 8.270 nan 0.000 0.553 270 P HA 0.119 nan 4.420 nan 0.000 0.275 270 P C -1.112 176.286 177.300 0.164 0.000 1.228 270 P CA -0.258 62.967 63.100 0.209 0.000 0.786 270 P CB 1.685 33.544 31.700 0.264 0.000 0.927 271 S N 2.154 117.940 115.700 0.144 0.000 2.547 271 S HA 0.689 5.159 4.470 -0.000 0.000 0.281 271 S C -1.640 173.041 174.600 0.135 0.000 1.118 271 S CA -0.597 57.681 58.200 0.129 0.000 0.947 271 S CB 0.245 63.507 63.200 0.103 0.000 1.053 271 S HN 0.298 nan 8.310 nan 0.000 0.482 272 L N 4.630 125.931 121.223 0.131 0.000 2.376 272 L HA 0.934 5.274 4.340 -0.000 0.000 0.275 272 L C -0.602 176.345 176.870 0.128 0.000 0.987 272 L CA -0.027 54.889 54.840 0.126 0.000 0.828 272 L CB 1.189 43.316 42.059 0.113 0.000 1.249 272 L HN 0.835 nan 8.230 nan 0.000 0.409 273 A N 4.183 127.082 122.820 0.132 0.000 2.454 273 A HA 0.736 5.056 4.320 -0.000 0.000 0.302 273 A C -2.167 175.492 177.584 0.125 0.000 1.079 273 A CA -0.493 51.615 52.037 0.119 0.000 0.731 273 A CB 1.322 20.382 19.000 0.101 0.000 1.299 273 A HN 0.716 nan 8.150 nan 0.000 0.413 274 Y N 1.462 121.734 120.300 -0.045 0.000 2.329 274 Y HA 0.655 5.204 4.550 -0.000 0.000 0.328 274 Y C -1.738 174.053 175.900 -0.181 0.000 0.992 274 Y CA -0.720 57.330 58.100 -0.084 0.000 1.151 274 Y CB 1.185 39.661 38.460 0.028 0.000 1.150 274 Y HN 0.576 nan 8.280 nan 0.000 0.450 275 L N 5.555 126.245 121.223 -0.888 0.000 2.342 275 L HA 0.638 4.977 4.340 -0.000 0.000 0.271 275 L C -0.839 175.530 176.870 -0.834 0.000 1.008 275 L CA -0.498 53.882 54.840 -0.767 0.000 0.818 275 L CB 2.163 43.732 42.059 -0.817 0.000 1.296 275 L HN 0.704 nan 8.230 nan 0.000 0.427 276 Q N 1.118 120.697 119.800 -0.368 0.000 2.352 276 Q HA 0.573 4.913 4.340 -0.000 0.000 0.270 276 Q C -1.810 174.193 176.000 0.004 0.000 1.006 276 Q CA -0.355 55.349 55.803 -0.165 0.000 0.880 276 Q CB 2.165 30.932 28.738 0.049 0.000 1.392 276 Q HN 0.553 nan 8.270 nan 0.000 0.401 277 S N 3.241 118.946 115.700 0.009 0.000 2.756 277 S HA 0.485 4.955 4.470 -0.000 0.000 0.303 277 S C -1.541 173.084 174.600 0.042 0.000 1.135 277 S CA -0.606 57.619 58.200 0.042 0.000 1.066 277 S CB 0.677 63.899 63.200 0.036 0.000 1.008 277 S HN 0.482 nan 8.310 nan 0.000 0.482 278 K N 3.182 123.610 120.400 0.048 0.000 2.281 278 K HA 0.408 4.727 4.320 -0.000 0.000 0.272 278 K C 0.440 177.038 176.600 -0.002 0.000 1.048 278 K CA -0.623 55.676 56.287 0.021 0.000 0.898 278 K CB 1.459 33.984 32.500 0.041 0.000 1.128 278 K HN 0.643 nan 8.250 nan 0.000 0.460 279 G N 3.311 112.089 108.800 -0.036 0.000 2.380 279 G HA2 0.133 4.092 3.960 -0.000 0.000 0.262 279 G HA3 0.133 4.092 3.960 -0.000 0.000 0.262 279 G C -0.333 174.539 174.900 -0.047 0.000 1.243 279 G CA -0.414 44.664 45.100 -0.036 0.000 0.865 279 G HN 0.320 nan 8.290 nan 0.000 0.513 280 K N 1.776 122.168 120.400 -0.013 0.000 2.292 280 K HA 0.233 4.553 4.320 -0.000 0.000 0.257 280 K C 0.218 176.835 176.600 0.028 0.000 0.940 280 K CA -1.102 55.184 56.287 -0.001 0.000 0.811 280 K CB 1.599 34.102 32.500 0.005 0.000 1.120 280 K HN 0.621 nan 8.250 nan 0.000 0.428 281 N N 2.009 120.729 118.700 0.032 0.000 2.688 281 N HA -0.191 4.549 4.740 -0.000 0.000 0.258 281 N C 0.085 175.644 175.510 0.083 0.000 1.016 281 N CA 0.202 53.285 53.050 0.054 0.000 0.747 281 N CB -1.040 37.481 38.487 0.056 0.000 0.895 281 N HN 0.627 nan 8.380 nan 0.000 0.543 282 L N -0.488 120.795 121.223 0.101 0.000 2.465 282 L HA 0.132 4.472 4.340 -0.000 0.000 0.224 282 L C 1.830 178.814 176.870 0.190 0.000 1.145 282 L CA 0.612 55.550 54.840 0.163 0.000 0.834 282 L CB -0.963 41.216 42.059 0.200 0.000 0.944 282 L HN 0.671 nan 8.230 nan 0.000 0.451 283 G N 0.220 109.103 108.800 0.138 0.000 2.698 283 G HA2 -0.320 3.639 3.960 -0.000 0.000 0.233 283 G HA3 -0.320 3.639 3.960 -0.000 0.000 0.233 283 G C 0.310 175.245 174.900 0.058 0.000 1.352 283 G CA -0.114 45.041 45.100 0.091 0.000 0.879 283 G HN 0.326 nan 8.290 nan 0.000 0.567 284 R N -1.096 119.387 120.500 -0.028 0.000 3.875 284 R HA -0.200 4.140 4.340 -0.000 0.000 0.321 284 R C 1.741 177.781 176.300 -0.433 0.000 1.196 284 R CA 2.073 58.067 56.100 -0.177 0.000 0.868 284 R CB -1.775 28.464 30.300 -0.102 0.000 1.333 284 R HN 2.830 nan 8.270 nan 0.000 0.522 285 G N -1.321 107.332 108.800 -0.245 0.000 2.179 285 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.260 285 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.260 285 G C 0.565 175.367 174.900 -0.163 0.000 0.977 285 G CA 0.651 45.620 45.100 -0.219 0.000 0.641 285 G HN 0.507 nan 8.290 nan 0.000 0.533 286 Y N 0.559 120.880 120.300 0.035 0.000 2.242 286 Y HA -0.040 4.510 4.550 -0.000 0.000 0.291 286 Y C 2.650 178.514 175.900 -0.059 0.000 1.137 286 Y CA 1.254 59.350 58.100 -0.006 0.000 1.181 286 Y CB 0.027 38.475 38.460 -0.020 0.000 0.989 286 Y HN 0.242 nan 8.280 nan 0.000 0.527 287 D N -0.601 119.852 120.400 0.088 0.000 2.249 287 D HA -0.035 4.605 4.640 -0.000 0.000 0.205 287 D C -0.313 175.992 176.300 0.009 0.000 0.962 287 D CA 0.965 55.008 54.000 0.072 0.000 0.860 287 D CB -0.108 40.718 40.800 0.043 0.000 0.955 287 D HN 0.260 nan 8.370 nan 0.000 0.505 288 D N 1.377 121.754 120.400 -0.038 0.000 2.414 288 D HA 0.298 4.938 4.640 -0.000 0.000 0.232 288 D C -0.151 176.036 176.300 -0.189 0.000 1.070 288 D CA -0.148 53.799 54.000 -0.089 0.000 0.839 288 D CB 1.335 42.108 40.800 -0.046 0.000 1.079 288 D HN -0.187 nan 8.370 nan 0.000 0.521 289 E N 1.179 121.173 120.200 -0.343 0.000 2.293 289 E HA 0.229 4.579 4.350 -0.000 0.000 0.270 289 E C -0.927 175.456 176.600 -0.362 0.000 0.879 289 E CA -0.783 55.288 56.400 -0.550 0.000 0.756 289 E CB 2.097 30.901 29.700 -1.492 0.000 1.208 289 E HN 0.211 nan 8.360 nan 0.000 0.428 290 D N 2.686 122.974 120.400 -0.187 0.000 2.382 290 D HA 0.094 4.734 4.640 -0.000 0.000 0.259 290 D C 1.263 177.603 176.300 0.066 0.000 1.224 290 D CA 0.190 54.166 54.000 -0.039 0.000 0.894 290 D CB 0.825 41.630 40.800 0.009 0.000 1.127 290 D HN 0.392 nan 8.370 nan 0.000 0.487 291 I N 1.583 122.208 120.570 0.093 0.000 2.480 291 I HA -0.064 4.106 4.170 -0.000 0.000 0.251 291 I C 0.725 176.905 176.117 0.106 0.000 1.124 291 I CA 0.591 62.003 61.300 0.186 0.000 1.444 291 I CB 0.120 38.202 38.000 0.136 0.000 1.098 291 I HN 0.200 nan 8.210 nan 0.000 0.428 292 L N 0.280 121.539 121.223 0.059 0.000 2.434 292 L HA 0.522 4.862 4.340 -0.000 0.000 0.260 292 L C -1.009 175.854 176.870 -0.011 0.000 0.983 292 L CA -0.395 54.468 54.840 0.038 0.000 0.820 292 L CB 1.814 43.887 42.059 0.024 0.000 1.361 292 L HN -0.061 nan 8.230 nan 0.000 0.410 293 K N 3.858 124.254 120.400 -0.007 0.000 2.636 293 K HA 0.429 4.749 4.320 -0.000 0.000 0.286 293 K C -2.278 174.298 176.600 -0.041 0.000 1.100 293 K CA -0.525 55.694 56.287 -0.114 0.000 0.991 293 K CB 0.924 33.408 32.500 -0.028 0.000 1.323 293 K HN 0.636 nan 8.250 nan 0.000 0.478 294 Y N -0.486 119.656 120.300 -0.262 0.000 2.609 294 Y HA 0.648 5.197 4.550 -0.000 0.000 0.336 294 Y C -1.664 174.107 175.900 -0.215 0.000 1.129 294 Y CA -1.206 56.770 58.100 -0.205 0.000 1.040 294 Y CB 1.029 39.371 38.460 -0.198 0.000 1.310 294 Y HN -0.040 nan 8.280 nan 0.000 0.460 295 V N 1.962 121.932 119.914 0.093 0.000 2.472 295 V HA 0.383 4.503 4.120 -0.000 0.000 0.290 295 V C -1.089 175.099 176.094 0.158 0.000 1.037 295 V CA -0.398 61.962 62.300 0.102 0.000 0.908 295 V CB 1.520 33.411 31.823 0.114 0.000 0.985 295 V HN 0.845 nan 8.190 nan 0.000 0.454 296 D N 2.619 123.122 120.400 0.172 0.000 2.408 296 D HA 0.542 5.182 4.640 -0.000 0.000 0.243 296 D C -1.208 175.181 176.300 0.148 0.000 1.075 296 D CA -0.176 53.941 54.000 0.195 0.000 0.832 296 D CB 1.955 42.944 40.800 0.314 0.000 1.162 296 D HN 0.378 nan 8.370 nan 0.000 0.515 297 V N 3.603 123.596 119.914 0.131 0.000 2.495 297 V HA 0.982 5.102 4.120 -0.000 0.000 0.298 297 V C 0.092 176.315 176.094 0.215 0.000 1.031 297 V CA 0.170 62.563 62.300 0.155 0.000 0.871 297 V CB 1.112 33.013 31.823 0.129 0.000 0.988 297 V HN 0.697 nan 8.190 nan 0.000 0.432 298 G N 3.981 112.894 108.800 0.189 0.000 2.548 298 G HA2 0.895 4.855 3.960 -0.000 0.000 0.301 298 G HA3 0.895 4.855 3.960 -0.000 0.000 0.301 298 G C -1.370 173.624 174.900 0.157 0.000 1.349 298 G CA -0.128 45.085 45.100 0.189 0.000 0.792 298 G HN 1.609 nan 8.290 nan 0.000 0.481 299 A N -0.593 122.317 122.820 0.149 0.000 2.555 299 A HA 0.787 5.107 4.320 -0.000 0.000 0.297 299 A C -0.653 176.999 177.584 0.113 0.000 1.060 299 A CA -0.342 51.774 52.037 0.132 0.000 0.710 299 A CB 1.417 20.506 19.000 0.148 0.000 1.282 299 A HN 1.103 nan 8.150 nan 0.000 0.399 300 T N 1.662 116.233 114.554 0.028 0.000 2.823 300 T HA 0.533 4.882 4.350 -0.000 0.000 0.279 300 T C -1.161 173.424 174.700 -0.191 0.000 0.998 300 T CA -0.056 61.977 62.100 -0.112 0.000 0.994 300 T CB 0.917 69.561 68.868 -0.374 0.000 0.960 300 T HN 0.564 nan 8.240 nan 0.000 0.448 301 Y N 3.085 123.187 120.300 -0.329 0.000 2.342 301 Y HA 0.468 5.017 4.550 -0.000 0.000 0.338 301 Y C -1.331 174.250 175.900 -0.532 0.000 0.965 301 Y CA -1.386 56.500 58.100 -0.356 0.000 1.159 301 Y CB 0.456 38.719 38.460 -0.329 0.000 1.157 301 Y HN 0.606 nan 8.280 nan 0.000 0.486 302 Y N 7.312 127.177 120.300 -0.725 0.000 2.477 302 Y HA 0.163 4.713 4.550 -0.000 0.000 0.349 302 Y C 0.411 175.920 175.900 -0.652 0.000 0.977 302 Y CA -0.386 57.417 58.100 -0.496 0.000 1.214 302 Y CB 0.119 38.405 38.460 -0.290 0.000 1.124 302 Y HN 0.679 nan 8.280 nan 0.000 0.521 303 F N 1.183 121.112 119.950 -0.035 0.000 2.102 303 F HA -0.192 4.335 4.527 -0.000 0.000 0.298 303 F C 0.909 176.743 175.800 0.057 0.000 1.105 303 F CA 1.185 59.233 58.000 0.081 0.000 1.239 303 F CB -0.215 38.894 39.000 0.181 0.000 0.991 303 F HN 0.568 nan 8.300 nan 0.000 0.474 304 N N -2.191 116.664 118.700 0.259 0.000 3.449 304 N HA 0.074 4.814 4.740 -0.000 0.000 0.312 304 N C 0.170 175.743 175.510 0.106 0.000 1.557 304 N CA -0.704 52.428 53.050 0.136 0.000 0.864 304 N CB 0.397 38.961 38.487 0.129 0.000 1.799 304 N HN -0.152 nan 8.380 nan 0.000 0.554 305 K N -0.522 119.899 120.400 0.036 0.000 2.211 305 K HA 0.042 4.361 4.320 -0.000 0.000 0.204 305 K C 0.294 176.904 176.600 0.017 0.000 1.047 305 K CA 1.738 58.022 56.287 -0.005 0.000 0.935 305 K CB -0.331 32.152 32.500 -0.030 0.000 0.728 305 K HN 0.534 nan 8.250 nan 0.000 0.452 306 N N -0.985 117.742 118.700 0.044 0.000 2.282 306 N HA 0.088 4.828 4.740 -0.000 0.000 0.185 306 N C -0.509 175.006 175.510 0.009 0.000 1.099 306 N CA -0.064 52.969 53.050 -0.029 0.000 0.878 306 N CB 0.549 39.043 38.487 0.012 0.000 0.993 306 N HN 0.012 nan 8.380 nan 0.000 0.481 307 M N 0.382 120.087 119.600 0.176 0.000 2.421 307 M HA 0.383 4.862 4.480 -0.000 0.000 0.287 307 M C -1.703 174.865 176.300 0.447 0.000 1.183 307 M CA -0.459 55.020 55.300 0.298 0.000 0.916 307 M CB 1.958 34.737 32.600 0.300 0.000 1.701 307 M HN 0.018 nan 8.290 nan 0.000 0.470 308 S N 1.193 117.151 115.700 0.430 0.000 2.615 308 S HA 0.904 5.374 4.470 -0.000 0.000 0.269 308 S C -1.083 173.699 174.600 0.303 0.000 1.161 308 S CA -0.714 57.663 58.200 0.296 0.000 0.817 308 S CB 1.959 65.154 63.200 -0.008 0.000 1.131 308 S HN 0.864 nan 8.310 nan 0.000 0.467 309 T N 0.667 115.311 114.554 0.152 0.000 2.900 309 T HA 0.777 5.127 4.350 -0.000 0.000 0.303 309 T C -2.137 172.597 174.700 0.057 0.000 1.142 309 T CA -0.558 61.594 62.100 0.086 0.000 1.007 309 T CB 1.200 70.175 68.868 0.178 0.000 1.156 309 T HN 1.316 nan 8.240 nan 0.000 0.490 310 Y N 0.416 120.723 120.300 0.012 0.000 2.581 310 Y HA 0.811 5.361 4.550 -0.000 0.000 0.337 310 Y C -1.698 174.223 175.900 0.034 0.000 1.108 310 Y CA -1.349 56.746 58.100 -0.007 0.000 1.033 310 Y CB 0.797 39.227 38.460 -0.050 0.000 1.318 310 Y HN 0.495 nan 8.280 nan 0.000 0.459 311 V N 2.142 122.218 119.914 0.270 0.000 2.628 311 V HA 0.666 4.785 4.120 -0.000 0.000 0.306 311 V C -1.665 174.601 176.094 0.288 0.000 1.045 311 V CA -0.259 62.182 62.300 0.235 0.000 0.905 311 V CB 1.727 33.632 31.823 0.136 0.000 0.997 311 V HN 0.908 nan 8.190 nan 0.000 0.436 312 D N 4.147 124.724 120.400 0.296 0.000 2.863 312 D HA 0.294 4.934 4.640 -0.000 0.000 0.245 312 D C -1.962 174.625 176.300 0.479 0.000 1.211 312 D CA -0.188 54.001 54.000 0.314 0.000 0.888 312 D CB 1.628 42.515 40.800 0.145 0.000 1.483 312 D HN 0.452 nan 8.370 nan 0.000 0.533 313 Y N 3.564 124.020 120.300 0.258 0.000 2.464 313 Y HA 0.319 4.868 4.550 -0.000 0.000 0.326 313 Y C -0.545 175.395 175.900 0.067 0.000 0.969 313 Y CA -1.173 57.025 58.100 0.163 0.000 1.270 313 Y CB 0.784 39.308 38.460 0.107 0.000 1.103 313 Y HN 0.252 nan 8.280 nan 0.000 0.491 314 K N 8.023 128.433 120.400 0.016 0.000 2.262 314 K HA 0.313 4.632 4.320 -0.000 0.000 0.288 314 K C -0.739 175.640 176.600 -0.368 0.000 1.090 314 K CA -0.192 55.835 56.287 -0.434 0.000 0.918 314 K CB -0.127 31.642 32.500 -1.218 0.000 1.139 314 K HN 0.722 nan 8.250 nan 0.000 0.462 315 I N 4.260 124.589 120.570 -0.403 0.000 2.329 315 I HA 0.002 4.172 4.170 -0.000 0.000 0.295 315 I C 0.426 176.465 176.117 -0.130 0.000 1.109 315 I CA -0.443 60.633 61.300 -0.373 0.000 1.297 315 I CB 0.218 37.965 38.000 -0.421 0.000 1.433 315 I HN 0.453 nan 8.210 nan 0.000 0.509 316 N N 6.765 125.399 118.700 -0.110 0.000 2.430 316 N HA 0.191 4.931 4.740 -0.000 0.000 0.265 316 N C 0.489 176.000 175.510 0.002 0.000 1.100 316 N CA 0.055 53.078 53.050 -0.045 0.000 0.961 316 N CB 1.295 39.729 38.487 -0.088 0.000 1.075 316 N HN 0.575 nan 8.380 nan 0.000 0.478 317 L N 3.049 124.295 121.223 0.039 0.000 2.585 317 L HA 0.217 4.557 4.340 -0.000 0.000 0.226 317 L C 0.665 177.558 176.870 0.040 0.000 1.113 317 L CA -0.013 54.852 54.840 0.042 0.000 0.876 317 L CB 0.036 42.134 42.059 0.065 0.000 1.072 317 L HN 0.356 nan 8.230 nan 0.000 0.468 318 L N 0.582 121.826 121.223 0.036 0.000 2.456 318 L HA 0.037 4.377 4.340 -0.000 0.000 0.272 318 L C -0.088 176.802 176.870 0.033 0.000 1.189 318 L CA -0.016 54.847 54.840 0.039 0.000 0.846 318 L CB 0.238 42.322 42.059 0.041 0.000 1.111 318 L HN 0.023 nan 8.230 nan 0.000 0.475 319 D N 1.147 121.571 120.400 0.040 0.000 2.256 319 D HA 0.060 4.700 4.640 -0.000 0.000 0.250 319 D C -0.362 175.960 176.300 0.038 0.000 1.093 319 D CA -0.294 53.728 54.000 0.036 0.000 0.882 319 D CB 1.258 42.081 40.800 0.038 0.000 1.185 319 D HN 0.369 nan 8.370 nan 0.000 0.437 320 D N 1.639 122.055 120.400 0.027 0.000 2.363 320 D HA 0.044 4.684 4.640 -0.000 0.000 0.263 320 D C -0.256 176.065 176.300 0.035 0.000 1.258 320 D CA 0.027 54.040 54.000 0.022 0.000 0.907 320 D CB -0.013 40.795 40.800 0.014 0.000 1.107 320 D HN 0.364 nan 8.370 nan 0.000 0.495 321 N N 1.779 120.507 118.700 0.047 0.000 3.316 321 N HA 0.281 5.021 4.740 -0.000 0.000 0.300 321 N C 0.659 176.216 175.510 0.078 0.000 1.567 321 N CA -0.751 52.340 53.050 0.068 0.000 0.821 321 N CB 0.729 39.270 38.487 0.088 0.000 1.748 321 N HN 0.104 nan 8.380 nan 0.000 0.603 322 R N -0.904 119.666 120.500 0.116 0.000 2.083 322 R HA -0.069 4.271 4.340 -0.000 0.000 0.237 322 R C 1.746 178.145 176.300 0.165 0.000 1.137 322 R CA 1.698 57.884 56.100 0.144 0.000 0.951 322 R CB -0.721 29.693 30.300 0.190 0.000 0.851 322 R HN 0.525 nan 8.270 nan 0.000 0.434 323 F N 2.180 122.135 119.950 0.008 0.000 2.102 323 F HA -0.236 4.291 4.527 -0.000 0.000 0.298 323 F C 2.534 178.220 175.800 -0.190 0.000 1.105 323 F CA 2.096 59.947 58.000 -0.248 0.000 1.239 323 F CB -0.623 38.091 39.000 -0.476 0.000 0.991 323 F HN 0.035 nan 8.300 nan 0.000 0.474 324 T N -1.430 113.013 114.554 -0.185 0.000 2.867 324 T HA -0.123 4.226 4.350 -0.000 0.000 0.268 324 T C 2.111 176.672 174.700 -0.233 0.000 1.057 324 T CA 1.219 63.157 62.100 -0.270 0.000 1.136 324 T CB -0.548 68.288 68.868 -0.054 0.000 0.874 324 T HN 0.339 nan 8.240 nan 0.000 0.466 325 R N 1.079 121.501 120.500 -0.129 0.000 2.062 325 R HA -0.018 4.322 4.340 -0.000 0.000 0.229 325 R C 2.312 178.544 176.300 -0.113 0.000 1.128 325 R CA 1.572 57.617 56.100 -0.092 0.000 0.960 325 R CB -0.362 29.918 30.300 -0.033 0.000 0.855 325 R HN 0.400 nan 8.270 nan 0.000 0.432 326 D N 0.726 121.063 120.400 -0.106 0.000 2.123 326 D HA -0.131 4.509 4.640 -0.000 0.000 0.196 326 D C 1.690 177.889 176.300 -0.168 0.000 0.992 326 D CA 1.571 55.524 54.000 -0.078 0.000 0.833 326 D CB -0.181 40.646 40.800 0.046 0.000 0.954 326 D HN 0.242 nan 8.370 nan 0.000 0.455 327 A N -0.258 122.346 122.820 -0.359 0.000 2.067 327 A HA 0.313 4.632 4.320 -0.000 0.000 0.217 327 A C 1.785 179.191 177.584 -0.297 0.000 1.156 327 A CA 1.385 53.175 52.037 -0.411 0.000 0.683 327 A CB -0.330 18.212 19.000 -0.762 0.000 0.808 327 A HN 0.300 nan 8.150 nan 0.000 0.455 328 G N -0.818 107.834 108.800 -0.247 0.000 2.182 328 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.248 328 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.248 328 G C -0.032 174.758 174.900 -0.183 0.000 1.042 328 G CA 0.232 45.224 45.100 -0.180 0.000 0.775 328 G HN 0.476 nan 8.290 nan 0.000 0.501 329 I N 0.475 120.918 120.570 -0.211 0.000 2.395 329 I HA 0.160 4.330 4.170 -0.000 0.000 0.289 329 I C 0.789 176.837 176.117 -0.115 0.000 1.023 329 I CA -0.869 60.329 61.300 -0.170 0.000 1.350 329 I CB 1.011 38.901 38.000 -0.184 0.000 1.409 329 I HN 0.222 nan 8.210 nan 0.000 0.507 330 N N 3.760 122.402 118.700 -0.097 0.000 2.454 330 N HA -0.029 4.711 4.740 -0.000 0.000 0.260 330 N C 0.708 176.177 175.510 -0.069 0.000 1.218 330 N CA 0.362 53.364 53.050 -0.080 0.000 0.904 330 N CB 0.707 39.142 38.487 -0.087 0.000 1.065 330 N HN 0.727 nan 8.380 nan 0.000 0.462 331 T N -1.083 113.440 114.554 -0.052 0.000 3.084 331 T HA 0.224 4.574 4.350 -0.000 0.000 0.270 331 T C -0.187 174.491 174.700 -0.037 0.000 1.008 331 T CA -0.462 61.616 62.100 -0.035 0.000 0.900 331 T CB -0.050 68.810 68.868 -0.013 0.000 1.084 331 T HN 0.318 nan 8.240 nan 0.000 0.538 332 D N 2.244 122.616 120.400 -0.047 0.000 2.294 332 D HA 0.336 4.976 4.640 -0.000 0.000 0.250 332 D C -0.459 175.803 176.300 -0.064 0.000 1.058 332 D CA -0.313 53.667 54.000 -0.032 0.000 0.950 332 D CB 1.314 42.106 40.800 -0.013 0.000 1.158 332 D HN 0.258 nan 8.370 nan 0.000 0.453 333 D N 0.403 120.793 120.400 -0.017 0.000 2.382 333 D HA 0.278 4.918 4.640 -0.000 0.000 0.240 333 D C 0.073 176.359 176.300 -0.023 0.000 1.146 333 D CA 0.302 54.302 54.000 -0.001 0.000 0.897 333 D CB 0.863 41.775 40.800 0.186 0.000 1.197 333 D HN 0.203 nan 8.370 nan 0.000 0.432 334 I N 0.586 121.098 120.570 -0.098 0.000 2.569 334 I HA 0.232 4.402 4.170 -0.000 0.000 0.290 334 I C -0.718 175.456 176.117 0.095 0.000 1.088 334 I CA -1.048 60.205 61.300 -0.078 0.000 1.047 334 I CB 2.095 39.909 38.000 -0.311 0.000 1.237 334 I HN -0.107 nan 8.210 nan 0.000 0.421 335 V N 4.644 124.671 119.914 0.188 0.000 2.398 335 V HA 0.691 4.811 4.120 -0.000 0.000 0.286 335 V C 0.313 176.587 176.094 0.300 0.000 1.026 335 V CA -0.467 61.977 62.300 0.239 0.000 0.868 335 V CB 1.554 33.403 31.823 0.042 0.000 0.982 335 V HN 0.841 nan 8.190 nan 0.000 0.443 336 A N 5.331 128.311 122.820 0.266 0.000 2.304 336 A HA 0.857 5.177 4.320 -0.000 0.000 0.323 336 A C -1.094 176.623 177.584 0.221 0.000 1.195 336 A CA -0.481 51.640 52.037 0.141 0.000 0.826 336 A CB 1.073 19.966 19.000 -0.178 0.000 1.184 336 A HN 0.751 nan 8.150 nan 0.000 0.496 337 L N 2.664 124.025 121.223 0.230 0.000 2.343 337 L HA 0.781 5.121 4.340 -0.000 0.000 0.278 337 L C 0.163 176.986 176.870 -0.078 0.000 0.996 337 L CA 0.163 55.066 54.840 0.105 0.000 0.831 337 L CB 1.661 43.873 42.059 0.253 0.000 1.232 337 L HN 0.805 nan 8.230 nan 0.000 0.413 338 G N 4.238 112.752 108.800 -0.477 0.000 2.591 338 G HA2 0.609 4.568 3.960 -0.000 0.000 0.306 338 G HA3 0.609 4.568 3.960 -0.000 0.000 0.306 338 G C -2.301 172.301 174.900 -0.498 0.000 1.334 338 G CA -0.527 44.186 45.100 -0.646 0.000 0.981 338 G HN 0.506 nan 8.290 nan 0.000 0.491 339 L N 1.988 123.079 121.223 -0.220 0.000 2.356 339 L HA 0.768 5.108 4.340 -0.000 0.000 0.277 339 L C -0.888 175.978 176.870 -0.008 0.000 0.996 339 L CA -0.811 53.990 54.840 -0.065 0.000 0.822 339 L CB 2.143 44.197 42.059 -0.008 0.000 1.256 339 L HN 0.320 nan 8.230 nan 0.000 0.413 340 V N 5.355 125.317 119.914 0.080 0.000 2.525 340 V HA 0.357 4.477 4.120 -0.000 0.000 0.299 340 V C -1.196 175.005 176.094 0.178 0.000 1.034 340 V CA -0.701 61.664 62.300 0.109 0.000 0.863 340 V CB 1.406 33.316 31.823 0.145 0.000 0.999 340 V HN 0.650 nan 8.190 nan 0.000 0.423 341 Y N 5.364 125.702 120.300 0.063 0.000 2.360 341 Y HA 0.718 5.268 4.550 -0.000 0.000 0.337 341 Y C 0.004 175.976 175.900 0.120 0.000 1.039 341 Y CA -0.324 57.835 58.100 0.098 0.000 1.109 341 Y CB 1.520 40.031 38.460 0.084 0.000 1.201 341 Y HN 0.759 nan 8.280 nan 0.000 0.458 342 Q N 5.733 125.111 119.800 -0.703 0.000 2.456 342 Q HA 0.633 4.972 4.340 -0.000 0.000 0.284 342 Q C -1.902 173.796 176.000 -0.503 0.000 1.061 342 Q CA -0.925 54.595 55.803 -0.472 0.000 0.799 342 Q CB 2.844 31.450 28.738 -0.219 0.000 1.445 342 Q HN 0.657 nan 8.270 nan 0.000 0.411 343 F N 0.000 119.791 119.950 -0.266 0.000 2.286 343 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 343 F CA 0.000 57.935 58.000 -0.109 0.000 1.383 343 F CB 0.000 39.007 39.000 0.011 0.000 1.145 343 F HN 0.000 nan 8.300 nan 0.000 0.574