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 1civ_1_A DATA FIRST_RESID 12 DATA SEQUENCE LPAKQKPEcF GVFcLTYDLK AEEETKSWKK IINVAVSGAA GMISNHLLFK DATA SEQUENCE LASGEVFGPD QPISLKLLGS ERSFAALEGV AMELEDSLYP LLRQVSIGID DATA SEQUENCE PYEIFQDAEW ALLIGAKPRG PGMERADLLD INGQIFAEQG KALNAVASPN DATA SEQUENCE VKVMVVGNPC NTNALICLKN APNIPPKNFH ALTRLDENRA KCQLALKAGV DATA SEQUENCE FYDKVSNVTI WGNHSTTQVP DFLNAKIHGI PVTEVIRDRK WLEDEFTNMV DATA SEQUENCE QTRGGVLIKK WGRSSAASTA VSIVDAIRSL VTPTPEGDWF STGVYTNGNP DATA SEQUENCE YGIAEDIVFS MPCRSKGDGD YEFVKDVIFD DYLSKKIKKS EDELLAEKKc DATA SEQUENCE VAHLTGEGIA VcDLPEDTML PGEM 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 12 L HA 0.000 nan 4.340 nan 0.000 0.249 12 L C 0.000 176.512 176.870 -0.597 0.000 1.165 12 L CA 0.000 54.257 54.840 -0.972 0.000 0.813 12 L CB 0.000 41.766 42.059 -0.489 0.000 0.961 13 P HA 0.444 nan 4.420 nan 0.000 0.268 13 P C -0.331 176.929 177.300 -0.067 0.000 1.208 13 P CA 0.193 63.194 63.100 -0.165 0.000 0.777 13 P CB 1.005 32.672 31.700 -0.055 0.000 0.875 14 A N 2.258 125.058 122.820 -0.034 0.000 2.555 14 A HA 0.542 4.861 4.320 -0.000 0.000 0.297 14 A C 0.255 177.837 177.584 -0.004 0.000 1.060 14 A CA 0.001 52.036 52.037 -0.002 0.000 0.710 14 A CB 0.977 19.970 19.000 -0.012 0.000 1.282 14 A HN 0.685 nan 8.150 nan 0.000 0.399 15 K N -1.176 119.229 120.400 0.008 0.000 3.615 15 K HA -0.240 4.080 4.320 -0.000 0.000 0.269 15 K C 0.311 176.916 176.600 0.008 0.000 1.107 15 K CA 2.328 58.619 56.287 0.006 0.000 1.059 15 K CB -2.128 30.371 32.500 -0.001 0.000 1.317 15 K HN 2.190 nan 8.250 nan 0.000 0.494 16 Q N 1.637 121.442 119.800 0.008 0.000 2.423 16 Q HA 0.544 4.884 4.340 -0.000 0.000 0.235 16 Q C 0.035 176.050 176.000 0.024 0.000 1.100 16 Q CA 0.343 56.152 55.803 0.009 0.000 0.908 16 Q CB 0.675 29.412 28.738 -0.001 0.000 1.312 16 Q HN 0.696 nan 8.270 nan 0.000 0.497 17 K N 3.074 123.489 120.400 0.025 0.000 2.118 17 K HA 0.747 5.067 4.320 -0.000 0.000 0.267 17 K C -2.422 174.201 176.600 0.038 0.000 0.991 17 K CA -1.744 54.563 56.287 0.033 0.000 0.916 17 K CB 0.470 32.989 32.500 0.032 0.000 1.041 17 K HN 0.712 nan 8.250 nan 0.000 0.455 18 P HA 0.308 nan 4.420 nan 0.000 0.276 18 P C -0.196 177.143 177.300 0.066 0.000 1.253 18 P CA 0.087 63.220 63.100 0.055 0.000 0.766 18 P CB 0.462 32.195 31.700 0.056 0.000 0.845 19 E N 2.817 123.063 120.200 0.078 0.000 2.354 19 E HA 0.295 4.645 4.350 -0.000 0.000 0.269 19 E C 0.851 177.525 176.600 0.124 0.000 1.036 19 E CA -0.645 55.808 56.400 0.088 0.000 0.876 19 E CB -0.201 29.549 29.700 0.082 0.000 1.009 19 E HN 0.733 nan 8.360 nan 0.000 0.416 20 c N 0.085 118.759 118.600 0.125 0.000 2.640 20 c HA 0.803 5.373 4.570 -0.000 0.000 0.330 20 c C 0.502 174.743 174.090 0.252 0.000 1.416 20 c CA -0.958 55.478 56.329 0.178 0.000 2.396 20 c CB -0.409 42.196 42.510 0.159 0.000 2.330 20 c HN 0.732 nan 8.230 nan 0.000 0.704 21 F N 0.111 120.162 119.950 0.169 0.000 2.520 21 F HA 0.571 5.098 4.527 -0.000 0.000 0.322 21 F C 1.022 176.948 175.800 0.211 0.000 1.103 21 F CA 0.198 58.312 58.000 0.191 0.000 0.926 21 F CB 1.228 40.350 39.000 0.203 0.000 1.154 21 F HN 1.114 nan 8.300 nan 0.000 0.453 22 G N 3.969 112.504 108.800 -0.443 0.000 2.842 22 G HA2 0.154 4.114 3.960 -0.000 0.000 0.309 22 G HA3 0.154 4.114 3.960 -0.000 0.000 0.309 22 G C 0.404 175.202 174.900 -0.169 0.000 0.380 22 G CA 0.975 45.907 45.100 -0.280 0.000 1.225 22 G HN 1.331 nan 8.290 nan 0.000 0.204 23 V N 1.784 121.598 119.914 -0.167 0.000 0.360 23 V HA -0.242 3.878 4.120 -0.000 0.000 0.092 23 V C 1.830 177.781 176.094 -0.239 0.000 2.811 23 V CA 1.454 63.593 62.300 -0.269 0.000 3.850 23 V CB -1.756 29.791 31.823 -0.459 0.000 1.097 23 V HN 0.609 nan 8.190 nan 0.000 1.156 24 F N 0.068 120.069 119.950 0.085 0.000 2.699 24 F HA 0.050 4.577 4.527 -0.000 0.000 0.298 24 F C 1.962 177.802 175.800 0.067 0.000 1.154 24 F CA 1.553 59.607 58.000 0.089 0.000 1.457 24 F CB -0.508 38.567 39.000 0.124 0.000 1.106 24 F HN 0.335 nan 8.300 nan 0.000 0.585 25 c N -0.425 118.267 118.600 0.153 0.000 2.512 25 c HA 0.100 4.670 4.570 -0.000 0.000 0.276 25 c C 2.192 176.318 174.090 0.060 0.000 1.368 25 c CA 0.086 56.473 56.329 0.097 0.000 1.755 25 c CB -1.024 41.516 42.510 0.049 0.000 2.008 25 c HN 0.333 nan 8.230 nan 0.000 0.511 26 L N 0.435 121.677 121.223 0.032 0.000 2.645 26 L HA 0.106 4.446 4.340 -0.000 0.000 0.234 26 L C 1.032 177.924 176.870 0.037 0.000 1.165 26 L CA 0.188 55.038 54.840 0.016 0.000 0.944 26 L CB -1.124 40.925 42.059 -0.017 0.000 1.149 26 L HN 0.157 nan 8.230 nan 0.000 0.446 27 T N -0.458 114.140 114.554 0.074 0.000 2.918 27 T HA 0.352 4.701 4.350 -0.000 0.000 0.302 27 T C 0.809 175.555 174.700 0.076 0.000 1.045 27 T CA 0.250 62.406 62.100 0.095 0.000 1.114 27 T CB 0.400 69.358 68.868 0.150 0.000 0.965 27 T HN 0.248 nan 8.240 nan 0.000 0.540 28 Y N 2.969 123.315 120.300 0.076 0.000 2.495 28 Y HA 0.079 4.629 4.550 -0.000 0.000 0.463 28 Y C 1.724 177.657 175.900 0.056 0.000 1.293 28 Y CA 0.760 58.894 58.100 0.057 0.000 2.053 28 Y CB -0.686 37.803 38.460 0.050 0.000 1.725 28 Y HN 0.956 nan 8.280 nan 0.000 0.719 29 D N -0.370 120.055 120.400 0.043 0.000 2.083 29 D HA 0.309 4.949 4.640 -0.000 0.000 0.225 29 D C 0.315 176.648 176.300 0.055 0.000 0.974 29 D CA 1.996 56.020 54.000 0.039 0.000 0.906 29 D CB -0.793 40.021 40.800 0.023 0.000 1.028 29 D HN 1.743 nan 8.370 nan 0.000 0.446 30 L N -1.319 119.938 121.223 0.058 0.000 2.973 30 L HA 0.617 4.957 4.340 -0.000 0.000 0.254 30 L C 1.353 178.274 176.870 0.085 0.000 0.947 30 L CA 0.073 54.961 54.840 0.081 0.000 1.064 30 L CB 0.270 42.366 42.059 0.061 0.000 1.534 30 L HN 0.570 nan 8.230 nan 0.000 0.504 31 K N 1.539 122.028 120.400 0.148 0.000 2.285 31 K HA -0.244 4.076 4.320 -0.000 0.000 0.214 31 K C 2.238 178.862 176.600 0.041 0.000 1.015 31 K CA 3.202 59.573 56.287 0.139 0.000 0.930 31 K CB -1.559 31.241 32.500 0.500 0.000 0.887 31 K HN 2.630 nan 8.250 nan 0.000 0.486 32 A N -0.650 122.214 122.820 0.073 0.000 2.272 32 A HA 0.270 4.589 4.320 -0.000 0.000 0.213 32 A C 2.163 179.751 177.584 0.006 0.000 1.183 32 A CA 2.380 54.442 52.037 0.042 0.000 0.719 32 A CB -0.565 18.467 19.000 0.053 0.000 0.771 32 A HN 1.168 nan 8.150 nan 0.000 0.484 33 E N -2.634 117.559 120.200 -0.012 0.000 2.505 33 E HA 0.363 4.713 4.350 -0.000 0.000 0.212 33 E C 1.401 177.979 176.600 -0.035 0.000 0.825 33 E CA 1.362 57.751 56.400 -0.018 0.000 1.333 33 E CB -0.410 29.287 29.700 -0.005 0.000 1.319 33 E HN 0.762 nan 8.360 nan 0.000 0.658 34 E N -0.025 120.144 120.200 -0.052 0.000 2.175 34 E HA 0.562 4.912 4.350 -0.000 0.000 0.193 34 E C 1.265 177.807 176.600 -0.096 0.000 0.962 34 E CA 0.983 57.346 56.400 -0.061 0.000 0.981 34 E CB -0.300 29.370 29.700 -0.050 0.000 1.093 34 E HN 0.930 nan 8.360 nan 0.000 0.483 35 E N -1.410 118.705 120.200 -0.143 0.000 2.256 35 E HA 0.575 4.925 4.350 -0.000 0.000 0.267 35 E C 0.577 176.954 176.600 -0.373 0.000 0.892 35 E CA 0.025 56.297 56.400 -0.213 0.000 0.775 35 E CB 0.379 29.962 29.700 -0.194 0.000 1.207 35 E HN 1.761 nan 8.360 nan 0.000 0.420 36 T N -0.968 113.305 114.554 -0.470 0.000 4.141 36 T HA 0.066 4.416 4.350 -0.000 0.000 0.352 36 T C 1.298 175.714 174.700 -0.474 0.000 0.756 36 T CA 2.245 63.861 62.100 -0.808 0.000 1.958 36 T CB -2.649 65.089 68.868 -1.884 0.000 1.848 36 T HN 1.777 nan 8.240 nan 0.000 0.872 37 K N 0.347 120.614 120.400 -0.222 0.000 2.555 37 K HA 0.393 4.713 4.320 -0.000 0.000 0.193 37 K C 2.547 179.143 176.600 -0.008 0.000 1.032 37 K CA 1.639 57.878 56.287 -0.080 0.000 1.004 37 K CB -0.501 31.966 32.500 -0.055 0.000 0.804 37 K HN 1.526 nan 8.250 nan 0.000 0.496 38 S N -0.926 114.765 115.700 -0.015 0.000 2.461 38 S HA 0.010 4.480 4.470 -0.000 0.000 0.228 38 S C 0.552 175.308 174.600 0.260 0.000 1.005 38 S CA -0.450 57.809 58.200 0.099 0.000 0.942 38 S CB -0.431 62.830 63.200 0.101 0.000 0.776 38 S HN 0.601 nan 8.310 nan 0.000 0.514 39 W N 3.524 124.830 121.300 0.010 0.000 2.190 39 W HA 0.505 5.165 4.660 -0.000 0.000 0.330 39 W C 0.788 177.310 176.519 0.005 0.000 1.299 39 W CA -2.009 55.342 57.345 0.009 0.000 1.215 39 W CB 0.280 29.746 29.460 0.010 0.000 1.147 39 W HN 0.080 nan 8.180 nan 0.000 0.563 40 K N 1.598 122.118 120.400 0.200 0.000 2.273 40 K HA 0.488 4.807 4.320 -0.000 0.000 0.240 40 K C 0.442 177.099 176.600 0.094 0.000 1.056 40 K CA -0.615 55.733 56.287 0.102 0.000 0.910 40 K CB -0.011 32.512 32.500 0.038 0.000 1.196 40 K HN 0.257 nan 8.250 nan 0.000 0.509 41 K N 1.349 121.777 120.400 0.048 0.000 2.298 41 K HA 0.122 4.442 4.320 -0.000 0.000 0.280 41 K C 0.110 176.708 176.600 -0.004 0.000 1.032 41 K CA -0.218 56.090 56.287 0.035 0.000 0.958 41 K CB -0.072 32.439 32.500 0.019 0.000 0.978 41 K HN 0.665 nan 8.250 nan 0.000 0.472 42 I N 2.006 122.578 120.570 0.002 0.000 2.845 42 I HA 0.023 4.193 4.170 -0.000 0.000 0.296 42 I C -0.104 175.962 176.117 -0.085 0.000 1.216 42 I CA 0.253 61.528 61.300 -0.042 0.000 1.438 42 I CB 0.262 38.256 38.000 -0.009 0.000 1.342 42 I HN 0.606 nan 8.210 nan 0.000 0.577 43 I N 7.561 128.038 120.570 -0.155 0.000 2.354 43 I HA 0.220 4.390 4.170 -0.000 0.000 0.292 43 I C -0.358 175.668 176.117 -0.152 0.000 0.989 43 I CA -0.768 60.412 61.300 -0.199 0.000 1.188 43 I CB 1.148 38.888 38.000 -0.434 0.000 1.342 43 I HN 0.542 nan 8.210 nan 0.000 0.457 44 N N 6.128 124.777 118.700 -0.086 0.000 2.414 44 N HA 0.311 5.051 4.740 -0.000 0.000 0.256 44 N C -0.818 174.685 175.510 -0.012 0.000 1.029 44 N CA -0.152 52.869 53.050 -0.047 0.000 0.948 44 N CB 1.942 40.414 38.487 -0.025 0.000 1.102 44 N HN 0.203 nan 8.380 nan 0.000 0.496 45 V N 1.251 121.155 119.914 -0.017 0.000 2.448 45 V HA 0.695 4.815 4.120 -0.000 0.000 0.295 45 V C 0.046 176.153 176.094 0.021 0.000 1.025 45 V CA -0.989 61.331 62.300 0.034 0.000 0.859 45 V CB 1.478 33.307 31.823 0.010 0.000 0.988 45 V HN 0.692 nan 8.190 nan 0.000 0.431 46 A N 4.422 127.264 122.820 0.036 0.000 2.325 46 A HA 0.925 5.245 4.320 -0.000 0.000 0.333 46 A C -0.883 176.723 177.584 0.038 0.000 1.155 46 A CA -0.591 51.478 52.037 0.053 0.000 0.814 46 A CB 1.684 20.723 19.000 0.064 0.000 1.206 46 A HN 0.751 nan 8.150 nan 0.000 0.482 47 V N 2.319 122.273 119.914 0.067 0.000 2.524 47 V HA 0.449 4.569 4.120 -0.000 0.000 0.297 47 V C 0.327 176.477 176.094 0.094 0.000 1.035 47 V CA -0.378 61.952 62.300 0.050 0.000 0.867 47 V CB 1.372 33.198 31.823 0.005 0.000 1.004 47 V HN 1.131 nan 8.190 nan 0.000 0.426 48 S N 2.758 118.523 115.700 0.109 0.000 2.669 48 S HA 0.666 5.136 4.470 -0.000 0.000 0.270 48 S C 1.198 175.837 174.600 0.065 0.000 1.225 48 S CA 0.236 58.504 58.200 0.113 0.000 0.991 48 S CB 1.382 64.650 63.200 0.113 0.000 0.987 48 S HN 2.363 nan 8.310 nan 0.000 0.552 49 G N -0.013 108.817 108.800 0.049 0.000 2.233 49 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.270 49 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.270 49 G C 0.946 175.867 174.900 0.034 0.000 1.011 49 G CA 0.411 45.538 45.100 0.046 0.000 0.762 49 G HN 1.608 nan 8.290 nan 0.000 0.511 50 A N -0.639 122.193 122.820 0.020 0.000 2.084 50 A HA 0.266 4.586 4.320 -0.000 0.000 0.221 50 A C 2.505 180.078 177.584 -0.018 0.000 1.161 50 A CA 2.200 54.233 52.037 -0.007 0.000 0.653 50 A CB -0.300 18.682 19.000 -0.030 0.000 0.802 50 A HN 1.870 nan 8.150 nan 0.000 0.457 51 A N -0.939 121.875 122.820 -0.010 0.000 2.387 51 A HA 0.529 4.849 4.320 -0.000 0.000 0.234 51 A C 1.213 178.808 177.584 0.018 0.000 1.253 51 A CA 0.583 52.612 52.037 -0.013 0.000 0.894 51 A CB -0.546 18.435 19.000 -0.031 0.000 0.963 51 A HN 0.666 nan 8.150 nan 0.000 0.508 52 G N -1.924 106.897 108.800 0.035 0.000 2.557 52 G HA2 0.404 4.364 3.960 -0.000 0.000 0.292 52 G HA3 0.404 4.364 3.960 -0.000 0.000 0.292 52 G C 0.869 175.813 174.900 0.073 0.000 1.237 52 G CA -0.443 44.688 45.100 0.051 0.000 0.978 52 G HN -0.015 nan 8.290 nan 0.000 0.498 53 M N -0.323 119.328 119.600 0.086 0.000 2.132 53 M HA 0.025 4.505 4.480 -0.000 0.000 0.263 53 M C 2.555 178.975 176.300 0.200 0.000 1.065 53 M CA 1.124 56.506 55.300 0.136 0.000 1.122 53 M CB -0.851 31.819 32.600 0.116 0.000 1.365 53 M HN 0.507 nan 8.290 nan 0.000 0.411 54 I N -0.450 120.190 120.570 0.116 0.000 2.315 54 I HA -0.264 3.906 4.170 -0.000 0.000 0.248 54 I C 2.261 178.454 176.117 0.127 0.000 1.117 54 I CA 0.945 62.300 61.300 0.091 0.000 1.404 54 I CB -0.371 37.651 38.000 0.036 0.000 1.071 54 I HN 0.226 nan 8.210 nan 0.000 0.419 55 S N 0.598 116.359 115.700 0.102 0.000 2.356 55 S HA -0.227 4.243 4.470 -0.000 0.000 0.223 55 S C 1.733 176.412 174.600 0.131 0.000 1.032 55 S CA 1.708 59.956 58.200 0.081 0.000 1.005 55 S CB -0.723 62.505 63.200 0.045 0.000 0.867 55 S HN 0.468 nan 8.310 nan 0.000 0.449 56 N N 0.000 118.791 118.700 0.152 0.000 2.334 56 N HA -0.183 4.557 4.740 -0.000 0.000 0.187 56 N C 1.436 177.046 175.510 0.167 0.000 1.016 56 N CA 1.105 54.260 53.050 0.174 0.000 0.879 56 N CB 0.047 38.579 38.487 0.076 0.000 0.965 56 N HN 0.482 nan 8.380 nan 0.000 0.438 57 H N -1.243 117.910 119.070 0.138 0.000 2.355 57 H HA 0.096 4.652 4.556 -0.000 0.000 0.312 57 H C 1.613 177.027 175.328 0.142 0.000 1.051 57 H CA 0.505 56.625 56.048 0.119 0.000 1.389 57 H CB -0.419 29.367 29.762 0.040 0.000 1.455 57 H HN 0.019 nan 8.280 nan 0.000 0.575 58 L N 0.576 121.918 121.223 0.199 0.000 1.997 58 L HA -0.210 4.130 4.340 -0.000 0.000 0.216 58 L C 1.664 178.552 176.870 0.030 0.000 1.074 58 L CA 1.475 56.356 54.840 0.070 0.000 0.763 58 L CB -0.898 41.169 42.059 0.015 0.000 0.890 58 L HN 0.190 nan 8.230 nan 0.000 0.434 59 L N -0.844 120.386 121.223 0.012 0.000 2.010 59 L HA -0.285 4.055 4.340 -0.000 0.000 0.219 59 L C 2.475 179.205 176.870 -0.234 0.000 1.077 59 L CA 2.096 56.838 54.840 -0.163 0.000 0.773 59 L CB -1.520 40.358 42.059 -0.301 0.000 0.892 59 L HN 0.272 nan 8.230 nan 0.000 0.436 60 F N -0.465 119.484 119.950 -0.003 0.000 2.293 60 F HA -0.131 4.396 4.527 -0.000 0.000 0.300 60 F C 2.299 178.035 175.800 -0.106 0.000 1.086 60 F CA 0.858 58.891 58.000 0.055 0.000 1.375 60 F CB -0.676 38.422 39.000 0.162 0.000 1.045 60 F HN 0.071 nan 8.300 nan 0.000 0.516 61 K N 0.271 120.708 120.400 0.062 0.000 2.097 61 K HA -0.098 4.221 4.320 -0.000 0.000 0.205 61 K C 2.030 178.523 176.600 -0.178 0.000 1.050 61 K CA 1.052 57.301 56.287 -0.062 0.000 0.938 61 K CB -0.356 32.115 32.500 -0.048 0.000 0.718 61 K HN 0.289 nan 8.250 nan 0.000 0.442 62 L N 0.468 121.585 121.223 -0.177 0.000 2.005 62 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 62 L C 2.573 179.294 176.870 -0.248 0.000 1.072 62 L CA 1.158 55.882 54.840 -0.194 0.000 0.744 62 L CB -0.526 41.442 42.059 -0.151 0.000 0.895 62 L HN 0.186 nan 8.230 nan 0.000 0.433 63 A N -0.166 122.463 122.820 -0.317 0.000 1.978 63 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 63 A C 2.408 179.540 177.584 -0.753 0.000 1.170 63 A CA 1.977 53.764 52.037 -0.418 0.000 0.636 63 A CB -0.680 18.159 19.000 -0.267 0.000 0.810 63 A HN 0.547 nan 8.150 nan 0.000 0.448 64 S N -1.931 113.216 115.700 -0.922 0.000 2.561 64 S HA 0.336 4.806 4.470 -0.000 0.000 0.225 64 S C 1.469 175.840 174.600 -0.381 0.000 0.977 64 S CA 1.140 58.830 58.200 -0.851 0.000 0.926 64 S CB -0.393 62.464 63.200 -0.571 0.000 0.769 64 S HN 1.960 nan 8.310 nan 0.000 0.533 65 G N 1.235 109.848 108.800 -0.311 0.000 2.157 65 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.248 65 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.248 65 G C 0.522 175.313 174.900 -0.182 0.000 0.979 65 G CA 0.541 45.514 45.100 -0.212 0.000 0.650 65 G HN 0.605 nan 8.290 nan 0.000 0.529 66 E N -0.110 119.970 120.200 -0.199 0.000 2.110 66 E HA -0.039 4.311 4.350 -0.000 0.000 0.193 66 E C 2.459 178.918 176.600 -0.235 0.000 0.988 66 E CA 1.731 58.024 56.400 -0.178 0.000 0.804 66 E CB -0.085 29.522 29.700 -0.154 0.000 0.745 66 E HN 0.477 nan 8.360 nan 0.000 0.458 67 V N -0.011 119.714 119.914 -0.314 0.000 2.249 67 V HA -0.166 3.954 4.120 -0.000 0.000 0.239 67 V C 1.853 177.582 176.094 -0.609 0.000 1.038 67 V CA 1.659 63.642 62.300 -0.528 0.000 1.005 67 V CB -0.597 30.796 31.823 -0.717 0.000 0.646 67 V HN 0.258 nan 8.190 nan 0.000 0.455 68 F N 0.748 120.543 119.950 -0.259 0.000 2.811 68 F HA 0.506 5.033 4.527 -0.000 0.000 0.301 68 F C 1.206 176.899 175.800 -0.178 0.000 1.151 68 F CA 0.761 58.623 58.000 -0.229 0.000 1.412 68 F CB -0.335 38.522 39.000 -0.239 0.000 1.113 68 F HN 0.391 nan 8.300 nan 0.000 0.579 69 G N 0.458 109.221 108.800 -0.061 0.000 2.497 69 G HA2 -0.073 3.886 3.960 -0.000 0.000 0.686 69 G HA3 -0.073 3.886 3.960 -0.000 0.000 0.686 69 G C -2.416 172.426 174.900 -0.097 0.000 1.288 69 G CA -0.559 44.502 45.100 -0.065 0.000 0.899 69 G HN -0.130 nan 8.290 nan 0.000 0.608 70 P HA 0.157 nan 4.420 nan 0.000 0.249 70 P C 0.232 177.446 177.300 -0.144 0.000 1.229 70 P CA 1.423 64.466 63.100 -0.094 0.000 0.788 70 P CB 0.241 31.929 31.700 -0.020 0.000 1.072 71 D N -1.242 119.077 120.400 -0.135 0.000 2.788 71 D HA 0.112 4.752 4.640 -0.000 0.000 0.289 71 D C 0.014 176.170 176.300 -0.240 0.000 1.340 71 D CA -0.264 53.649 54.000 -0.145 0.000 0.831 71 D CB -0.057 40.805 40.800 0.104 0.000 1.103 71 D HN -0.073 nan 8.370 nan 0.000 0.476 72 Q N 2.037 121.624 119.800 -0.356 0.000 2.616 72 Q HA 0.281 4.621 4.340 -0.000 0.000 0.250 72 Q C -2.764 173.005 176.000 -0.385 0.000 0.991 72 Q CA -1.678 53.961 55.803 -0.273 0.000 0.707 72 Q CB 2.621 31.284 28.738 -0.126 0.000 1.247 72 Q HN 0.188 nan 8.270 nan 0.000 0.491 73 P HA 0.128 nan 4.420 nan 0.000 0.268 73 P C -0.249 176.913 177.300 -0.230 0.000 1.204 73 P CA -0.155 62.706 63.100 -0.398 0.000 0.768 73 P CB 1.117 32.694 31.700 -0.206 0.000 0.842 74 I N 2.013 122.461 120.570 -0.203 0.000 2.750 74 I HA 0.373 4.543 4.170 -0.000 0.000 0.308 74 I C 0.112 176.149 176.117 -0.133 0.000 1.016 74 I CA -0.307 60.888 61.300 -0.174 0.000 1.098 74 I CB 2.108 40.008 38.000 -0.167 0.000 1.279 74 I HN 0.253 nan 8.210 nan 0.000 0.454 75 S N 5.742 121.367 115.700 -0.125 0.000 2.647 75 S HA 0.660 5.130 4.470 -0.000 0.000 0.300 75 S C -1.181 173.350 174.600 -0.114 0.000 1.129 75 S CA -0.622 57.515 58.200 -0.106 0.000 1.029 75 S CB 0.413 63.577 63.200 -0.060 0.000 1.007 75 S HN 0.440 nan 8.310 nan 0.000 0.484 76 L N 4.373 125.501 121.223 -0.160 0.000 2.282 76 L HA 0.574 4.914 4.340 -0.000 0.000 0.288 76 L C -0.561 176.246 176.870 -0.105 0.000 1.033 76 L CA -0.690 54.062 54.840 -0.146 0.000 0.807 76 L CB 1.516 43.442 42.059 -0.221 0.000 1.209 76 L HN 0.534 nan 8.230 nan 0.000 0.423 77 K N 5.008 125.384 120.400 -0.042 0.000 2.464 77 K HA 0.502 4.822 4.320 -0.000 0.000 0.252 77 K C -1.079 175.533 176.600 0.021 0.000 1.000 77 K CA -0.127 56.164 56.287 0.006 0.000 0.951 77 K CB 1.233 33.769 32.500 0.059 0.000 1.183 77 K HN 0.428 nan 8.250 nan 0.000 0.445 78 L N 4.352 125.565 121.223 -0.017 0.000 2.261 78 L HA 0.378 4.718 4.340 -0.000 0.000 0.289 78 L C -0.585 176.295 176.870 0.016 0.000 1.059 78 L CA -1.015 53.813 54.840 -0.020 0.000 0.816 78 L CB 0.406 42.407 42.059 -0.096 0.000 1.191 78 L HN 0.349 nan 8.230 nan 0.000 0.431 79 L N 3.448 124.702 121.223 0.052 0.000 2.275 79 L HA 0.796 5.136 4.340 -0.000 0.000 0.288 79 L C 0.287 177.176 176.870 0.032 0.000 1.046 79 L CA 0.450 55.309 54.840 0.032 0.000 0.805 79 L CB 1.224 43.299 42.059 0.026 0.000 1.193 79 L HN 0.557 nan 8.230 nan 0.000 0.426 80 G N 2.412 111.240 108.800 0.046 0.000 3.252 80 G HA2 0.750 4.710 3.960 -0.000 0.000 0.181 80 G HA3 0.750 4.710 3.960 -0.000 0.000 0.181 80 G C -1.384 173.557 174.900 0.068 0.000 1.187 80 G CA 0.015 45.150 45.100 0.058 0.000 0.886 80 G HN 0.827 nan 8.290 nan 0.000 0.615 81 S N -1.327 114.432 115.700 0.099 0.000 2.546 81 S HA 0.455 4.924 4.470 -0.000 0.000 0.274 81 S C 0.353 175.028 174.600 0.124 0.000 1.121 81 S CA -0.340 57.909 58.200 0.081 0.000 0.887 81 S CB 2.335 65.565 63.200 0.049 0.000 1.094 81 S HN 0.513 nan 8.310 nan 0.000 0.474 82 E N 2.097 122.343 120.200 0.076 0.000 2.119 82 E HA -0.271 4.079 4.350 -0.000 0.000 0.221 82 E C 2.530 179.194 176.600 0.106 0.000 1.062 82 E CA 2.626 59.063 56.400 0.061 0.000 0.894 82 E CB -1.133 28.576 29.700 0.014 0.000 0.785 82 E HN 0.838 nan 8.360 nan 0.000 0.472 83 R N 0.729 121.276 120.500 0.078 0.000 2.103 83 R HA -0.009 4.331 4.340 -0.000 0.000 0.242 83 R C 2.308 178.663 176.300 0.091 0.000 1.142 83 R CA 2.046 58.190 56.100 0.073 0.000 0.960 83 R CB -1.428 28.903 30.300 0.052 0.000 0.858 83 R HN 0.227 nan 8.270 nan 0.000 0.439 84 S N -0.569 115.189 115.700 0.097 0.000 2.618 84 S HA 0.242 4.711 4.470 -0.000 0.000 0.242 84 S C 0.802 175.453 174.600 0.084 0.000 0.972 84 S CA -0.501 57.744 58.200 0.075 0.000 1.004 84 S CB -0.344 62.884 63.200 0.046 0.000 0.778 84 S HN 0.500 nan 8.310 nan 0.000 0.459 85 F N 3.081 123.039 119.950 0.013 0.000 2.146 85 F HA -0.071 4.456 4.527 -0.000 0.000 0.298 85 F C 2.309 178.124 175.800 0.024 0.000 1.096 85 F CA 1.186 59.196 58.000 0.016 0.000 1.275 85 F CB -0.547 38.466 39.000 0.021 0.000 1.008 85 F HN 0.337 nan 8.300 nan 0.000 0.480 86 A N 0.263 123.112 122.820 0.050 0.000 1.948 86 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 86 A C 2.420 179.952 177.584 -0.088 0.000 1.177 86 A CA 2.009 54.041 52.037 -0.009 0.000 0.636 86 A CB -1.553 17.478 19.000 0.052 0.000 0.815 86 A HN 0.475 nan 8.150 nan 0.000 0.449 87 A N -0.504 122.274 122.820 -0.070 0.000 1.877 87 A HA -0.064 4.256 4.320 -0.000 0.000 0.216 87 A C 2.213 179.713 177.584 -0.140 0.000 1.186 87 A CA 1.472 53.467 52.037 -0.071 0.000 0.620 87 A CB -0.634 18.346 19.000 -0.032 0.000 0.822 87 A HN 0.506 nan 8.150 nan 0.000 0.443 88 L N -0.503 120.584 121.223 -0.228 0.000 2.042 88 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 88 L C 2.616 179.246 176.870 -0.400 0.000 1.076 88 L CA 1.896 56.550 54.840 -0.311 0.000 0.749 88 L CB -0.432 41.392 42.059 -0.390 0.000 0.893 88 L HN 0.547 nan 8.230 nan 0.000 0.432 89 E N -0.714 119.214 120.200 -0.453 0.000 2.077 89 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 89 E C 2.020 178.511 176.600 -0.181 0.000 0.989 89 E CA 1.029 57.244 56.400 -0.308 0.000 0.800 89 E CB -0.294 29.327 29.700 -0.131 0.000 0.746 89 E HN 0.636 nan 8.360 nan 0.000 0.452 90 G N 1.127 109.855 108.800 -0.120 0.000 2.421 90 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.216 90 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.216 90 G C 1.717 176.587 174.900 -0.050 0.000 1.171 90 G CA 0.762 45.833 45.100 -0.048 0.000 0.775 90 G HN 0.243 nan 8.290 nan 0.000 0.543 91 V N 1.373 121.236 119.914 -0.086 0.000 2.343 91 V HA -0.041 4.079 4.120 -0.000 0.000 0.247 91 V C 3.169 179.196 176.094 -0.112 0.000 1.051 91 V CA 2.558 64.835 62.300 -0.040 0.000 1.036 91 V CB -0.635 31.153 31.823 -0.058 0.000 0.654 91 V HN 0.438 nan 8.190 nan 0.000 0.451 92 A N -0.779 121.855 122.820 -0.309 0.000 1.972 92 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 92 A C 2.188 179.645 177.584 -0.212 0.000 1.169 92 A CA 2.185 53.922 52.037 -0.500 0.000 0.635 92 A CB -0.484 17.758 19.000 -1.263 0.000 0.810 92 A HN 0.593 nan 8.150 nan 0.000 0.446 93 M N -0.873 118.684 119.600 -0.071 0.000 2.175 93 M HA -0.131 4.349 4.480 -0.000 0.000 0.264 93 M C 1.928 178.312 176.300 0.140 0.000 1.063 93 M CA 1.385 56.778 55.300 0.155 0.000 1.119 93 M CB -0.372 32.318 32.600 0.149 0.000 1.377 93 M HN 0.483 nan 8.290 nan 0.000 0.415 94 E N 0.182 120.458 120.200 0.127 0.000 2.107 94 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 94 E C 1.944 178.715 176.600 0.285 0.000 0.982 94 E CA 0.790 57.312 56.400 0.203 0.000 0.809 94 E CB -0.022 29.840 29.700 0.271 0.000 0.756 94 E HN 0.276 nan 8.360 nan 0.000 0.459 95 L N 1.901 123.239 121.223 0.192 0.000 2.042 95 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 95 L C 2.383 179.460 176.870 0.345 0.000 1.076 95 L CA 1.899 56.819 54.840 0.133 0.000 0.749 95 L CB -0.944 41.074 42.059 -0.068 0.000 0.893 95 L HN 0.247 nan 8.230 nan 0.000 0.432 96 E N -1.806 118.608 120.200 0.356 0.000 2.208 96 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 96 E C 0.791 177.427 176.600 0.061 0.000 0.988 96 E CA 1.089 57.591 56.400 0.171 0.000 0.828 96 E CB -0.286 29.450 29.700 0.061 0.000 0.763 96 E HN 0.371 nan 8.360 nan 0.000 0.478 97 D N 0.707 121.158 120.400 0.086 0.000 2.349 97 D HA 0.067 4.707 4.640 -0.000 0.000 0.224 97 D C 0.959 177.258 176.300 -0.002 0.000 1.029 97 D CA 0.263 54.282 54.000 0.031 0.000 0.879 97 D CB 0.464 41.285 40.800 0.036 0.000 0.906 97 D HN 0.087 nan 8.370 nan 0.000 0.528 98 S N -0.028 115.674 115.700 0.003 0.000 2.503 98 S HA 0.034 4.504 4.470 -0.000 0.000 0.217 98 S C 0.697 175.135 174.600 -0.270 0.000 0.999 98 S CA -0.247 57.850 58.200 -0.172 0.000 0.914 98 S CB 0.729 63.818 63.200 -0.185 0.000 0.782 98 S HN 0.087 nan 8.310 nan 0.000 0.520 99 L N 1.050 122.225 121.223 -0.080 0.000 3.717 99 L HA -0.191 4.148 4.340 -0.000 0.000 0.414 99 L C -1.076 175.827 176.870 0.056 0.000 1.228 99 L CA 0.438 55.269 54.840 -0.015 0.000 0.918 99 L CB -2.570 39.471 42.059 -0.029 0.000 1.865 99 L HN 0.306 nan 8.230 nan 0.000 0.922 100 Y N 0.235 120.619 120.300 0.140 0.000 2.480 100 Y HA 0.264 4.813 4.550 -0.000 0.000 0.341 100 Y C -0.583 175.391 175.900 0.122 0.000 1.031 100 Y CA -2.362 55.805 58.100 0.111 0.000 1.295 100 Y CB 0.207 38.714 38.460 0.079 0.000 1.162 100 Y HN 0.081 nan 8.280 nan 0.000 0.523 101 P HA -0.157 nan 4.420 nan 0.000 0.216 101 P C 1.430 178.818 177.300 0.148 0.000 1.150 101 P CA 1.400 64.662 63.100 0.270 0.000 0.837 101 P CB 0.320 32.213 31.700 0.322 0.000 0.786 102 L N -1.832 119.365 121.223 -0.044 0.000 2.217 102 L HA -0.066 4.274 4.340 -0.000 0.000 0.211 102 L C 1.205 177.991 176.870 -0.140 0.000 1.107 102 L CA 0.178 54.840 54.840 -0.296 0.000 0.783 102 L CB -0.652 41.194 42.059 -0.356 0.000 0.919 102 L HN 0.020 nan 8.230 nan 0.000 0.442 103 L N 1.115 122.340 121.223 0.003 0.000 2.415 103 L HA 0.054 4.394 4.340 -0.000 0.000 0.269 103 L C 1.558 178.507 176.870 0.131 0.000 1.244 103 L CA 0.440 55.285 54.840 0.008 0.000 1.113 103 L CB -0.305 41.781 42.059 0.044 0.000 1.352 103 L HN 0.031 nan 8.230 nan 0.000 0.433 104 R N 2.019 122.564 120.500 0.075 0.000 2.115 104 R HA -0.017 4.323 4.340 -0.000 0.000 0.230 104 R C -0.031 176.391 176.300 0.204 0.000 1.111 104 R CA 0.834 57.032 56.100 0.164 0.000 0.976 104 R CB -0.129 30.240 30.300 0.114 0.000 0.870 104 R HN 0.808 nan 8.270 nan 0.000 0.445 105 Q N -0.829 118.993 119.800 0.037 0.000 2.438 105 Q HA 0.487 4.827 4.340 -0.000 0.000 0.272 105 Q C -1.181 174.666 176.000 -0.255 0.000 0.994 105 Q CA -0.749 55.061 55.803 0.011 0.000 0.887 105 Q CB 2.090 30.879 28.738 0.085 0.000 1.432 105 Q HN -0.075 nan 8.270 nan 0.000 0.392 106 V N -0.681 119.039 119.914 -0.322 0.000 2.925 106 V HA 0.959 5.079 4.120 -0.000 0.000 0.311 106 V C -1.253 174.814 176.094 -0.045 0.000 1.104 106 V CA 0.069 62.171 62.300 -0.329 0.000 0.954 106 V CB 2.125 33.548 31.823 -0.667 0.000 1.022 106 V HN 1.092 nan 8.190 nan 0.000 0.427 107 S N 5.410 121.092 115.700 -0.030 0.000 2.548 107 S HA 0.816 5.286 4.470 -0.000 0.000 0.276 107 S C -0.752 173.865 174.600 0.029 0.000 1.129 107 S CA -0.578 57.665 58.200 0.071 0.000 0.931 107 S CB 1.417 64.665 63.200 0.081 0.000 1.068 107 S HN 1.899 nan 8.310 nan 0.000 0.480 108 I N -0.526 120.091 120.570 0.079 0.000 2.603 108 I HA 1.026 5.196 4.170 -0.000 0.000 0.300 108 I C 0.068 176.304 176.117 0.199 0.000 1.017 108 I CA -0.796 60.532 61.300 0.047 0.000 1.098 108 I CB 1.698 39.630 38.000 -0.113 0.000 1.279 108 I HN 1.004 nan 8.210 nan 0.000 0.437 109 G N 4.044 112.971 108.800 0.212 0.000 2.495 109 G HA2 0.418 4.378 3.960 -0.000 0.000 0.294 109 G HA3 0.418 4.378 3.960 -0.000 0.000 0.294 109 G C -0.565 174.442 174.900 0.177 0.000 1.397 109 G CA -0.355 44.899 45.100 0.256 0.000 0.790 109 G HN 1.073 nan 8.290 nan 0.000 0.486 110 I N -2.730 117.886 120.570 0.077 0.000 4.081 110 I HA 0.437 4.606 4.170 -0.000 0.000 0.333 110 I C -0.605 175.481 176.117 -0.050 0.000 1.413 110 I CA -0.112 61.200 61.300 0.021 0.000 1.110 110 I CB 1.078 39.083 38.000 0.007 0.000 1.082 110 I HN 0.220 nan 8.210 nan 0.000 0.402 111 D N 2.554 122.915 120.400 -0.065 0.000 2.392 111 D HA 0.291 4.931 4.640 -0.000 0.000 0.228 111 D C -1.917 174.261 176.300 -0.202 0.000 1.074 111 D CA -1.721 52.233 54.000 -0.077 0.000 0.838 111 D CB 2.384 43.176 40.800 -0.014 0.000 1.067 111 D HN -0.061 nan 8.370 nan 0.000 0.511 112 P HA -0.144 nan 4.420 nan 0.000 0.216 112 P C 0.740 177.650 177.300 -0.650 0.000 1.153 112 P CA 1.148 63.693 63.100 -0.925 0.000 0.858 112 P CB 0.032 31.216 31.700 -0.861 0.000 0.789 113 Y N -0.846 119.305 120.300 -0.247 0.000 2.497 113 Y HA -0.080 4.470 4.550 -0.000 0.000 0.292 113 Y C 2.483 178.342 175.900 -0.068 0.000 1.137 113 Y CA 0.994 59.034 58.100 -0.100 0.000 1.285 113 Y CB -0.510 37.915 38.460 -0.058 0.000 0.991 113 Y HN 0.099 nan 8.280 nan 0.000 0.556 114 E N -0.257 119.966 120.200 0.038 0.000 2.094 114 E HA -0.060 4.290 4.350 -0.000 0.000 0.193 114 E C 1.945 178.551 176.600 0.009 0.000 0.950 114 E CA 0.431 56.849 56.400 0.029 0.000 0.842 114 E CB 0.076 29.787 29.700 0.018 0.000 0.816 114 E HN 0.125 nan 8.360 nan 0.000 0.465 115 I N 1.153 121.686 120.570 -0.062 0.000 2.179 115 I HA -0.208 3.962 4.170 -0.000 0.000 0.242 115 I C 1.808 178.013 176.117 0.146 0.000 1.088 115 I CA 1.244 62.539 61.300 -0.009 0.000 1.357 115 I CB -1.045 36.909 38.000 -0.077 0.000 1.051 115 I HN 0.188 nan 8.210 nan 0.000 0.409 116 F N 1.113 121.047 119.950 -0.027 0.000 2.771 116 F HA 0.018 4.545 4.527 -0.000 0.000 0.299 116 F C 1.501 177.285 175.800 -0.027 0.000 1.177 116 F CA -0.680 57.294 58.000 -0.043 0.000 1.450 116 F CB -1.676 37.273 39.000 -0.085 0.000 1.114 116 F HN 0.174 nan 8.300 nan 0.000 0.587 117 Q N 1.222 121.117 119.800 0.158 0.000 2.264 117 Q HA -0.049 4.291 4.340 -0.000 0.000 0.296 117 Q C 0.130 176.173 176.000 0.072 0.000 1.103 117 Q CA 0.691 56.554 55.803 0.099 0.000 0.967 117 Q CB -0.218 28.564 28.738 0.074 0.000 1.090 117 Q HN 0.352 nan 8.270 nan 0.000 0.379 118 D N 1.313 121.742 120.400 0.049 0.000 3.012 118 D HA -0.246 4.394 4.640 -0.000 0.000 0.222 118 D C -0.890 175.409 176.300 -0.002 0.000 1.167 118 D CA 0.944 54.954 54.000 0.018 0.000 0.854 118 D CB -1.013 39.797 40.800 0.016 0.000 1.107 118 D HN 0.714 nan 8.370 nan 0.000 0.421 119 A N 0.146 122.966 122.820 -0.000 0.000 2.488 119 A HA 0.299 4.619 4.320 -0.000 0.000 0.249 119 A C 1.148 178.678 177.584 -0.091 0.000 1.083 119 A CA 0.290 52.307 52.037 -0.033 0.000 0.768 119 A CB 0.471 19.437 19.000 -0.056 0.000 1.017 119 A HN 0.315 nan 8.150 nan 0.000 0.496 120 E N 0.671 120.822 120.200 -0.081 0.000 2.431 120 E HA 0.081 4.431 4.350 -0.000 0.000 0.200 120 E C -1.113 175.274 176.600 -0.355 0.000 0.995 120 E CA 0.350 56.645 56.400 -0.175 0.000 0.915 120 E CB 0.427 30.067 29.700 -0.100 0.000 0.930 120 E HN 0.772 nan 8.360 nan 0.000 0.496 121 W N 0.230 121.450 121.300 -0.134 0.000 3.042 121 W HA 0.535 5.194 4.660 -0.000 0.000 0.337 121 W C -1.236 175.191 176.519 -0.154 0.000 1.086 121 W CA -0.651 56.627 57.345 -0.111 0.000 1.236 121 W CB 1.745 31.188 29.460 -0.028 0.000 1.381 121 W HN -0.238 nan 8.180 nan 0.000 0.472 122 A N 4.670 127.487 122.820 -0.005 0.000 2.328 122 A HA 0.683 5.003 4.320 -0.000 0.000 0.318 122 A C -1.054 176.506 177.584 -0.040 0.000 1.347 122 A CA -0.619 51.322 52.037 -0.161 0.000 0.842 122 A CB 0.177 18.915 19.000 -0.437 0.000 1.148 122 A HN 0.650 nan 8.150 nan 0.000 0.499 123 L N 3.963 125.198 121.223 0.020 0.000 2.328 123 L HA 0.256 4.596 4.340 -0.000 0.000 0.280 123 L C -0.339 176.556 176.870 0.041 0.000 1.111 123 L CA -0.103 54.766 54.840 0.048 0.000 0.909 123 L CB 0.228 42.307 42.059 0.034 0.000 1.277 123 L HN 0.595 nan 8.230 nan 0.000 0.433 124 L N 5.484 126.753 121.223 0.076 0.000 2.391 124 L HA 0.316 4.656 4.340 -0.000 0.000 0.249 124 L C 0.430 177.426 176.870 0.210 0.000 1.308 124 L CA 0.035 54.962 54.840 0.144 0.000 1.209 124 L CB -0.328 41.885 42.059 0.256 0.000 1.401 124 L HN 0.610 nan 8.230 nan 0.000 0.416 125 I N 0.188 120.836 120.570 0.129 0.000 2.577 125 I HA 0.805 4.975 4.170 -0.000 0.000 0.300 125 I C 0.464 176.663 176.117 0.136 0.000 0.990 125 I CA -0.028 61.346 61.300 0.123 0.000 1.283 125 I CB 1.565 39.605 38.000 0.067 0.000 1.411 125 I HN 0.516 nan 8.210 nan 0.000 0.515 126 G N 4.222 113.111 108.800 0.148 0.000 3.434 126 G HA2 0.466 4.426 3.960 -0.000 0.000 0.686 126 G HA3 0.466 4.426 3.960 -0.000 0.000 0.686 126 G C -0.908 174.094 174.900 0.170 0.000 1.099 126 G CA -0.265 44.910 45.100 0.125 0.000 0.931 126 G HN 1.682 nan 8.290 nan 0.000 0.520 127 A N 2.677 125.594 122.820 0.162 0.000 2.566 127 A HA 0.838 5.157 4.320 -0.000 0.000 0.290 127 A C -0.306 177.353 177.584 0.126 0.000 1.071 127 A CA -0.824 51.329 52.037 0.193 0.000 0.658 127 A CB 1.005 20.192 19.000 0.312 0.000 1.285 127 A HN 0.826 nan 8.150 nan 0.000 0.427 128 K N 1.584 122.052 120.400 0.114 0.000 2.350 128 K HA 0.343 4.663 4.320 -0.000 0.000 0.279 128 K C -2.270 174.378 176.600 0.079 0.000 1.027 128 K CA -1.150 55.187 56.287 0.084 0.000 0.969 128 K CB 0.558 33.103 32.500 0.076 0.000 0.954 128 K HN 0.544 nan 8.250 nan 0.000 0.474 129 P HA 0.027 nan 4.420 nan 0.000 0.272 129 P C -0.358 176.974 177.300 0.053 0.000 1.230 129 P CA -0.179 62.956 63.100 0.058 0.000 0.788 129 P CB 0.381 32.111 31.700 0.050 0.000 0.949 130 R N 1.677 122.206 120.500 0.048 0.000 2.421 130 R HA 0.380 4.720 4.340 -0.000 0.000 0.305 130 R C 1.082 177.404 176.300 0.037 0.000 1.039 130 R CA 0.299 56.424 56.100 0.042 0.000 1.003 130 R CB -1.377 28.945 30.300 0.037 0.000 0.959 130 R HN 0.743 nan 8.270 nan 0.000 0.427 131 G N 3.007 111.829 108.800 0.036 0.000 2.544 131 G HA2 0.307 4.267 3.960 -0.000 0.000 0.242 131 G HA3 0.307 4.267 3.960 -0.000 0.000 0.242 131 G C -1.200 173.716 174.900 0.027 0.000 1.247 131 G CA -0.611 44.508 45.100 0.031 0.000 0.840 131 G HN 0.548 nan 8.290 nan 0.000 0.578 132 P HA -0.083 nan 4.420 nan 0.000 0.218 132 P C 1.230 178.543 177.300 0.021 0.000 1.154 132 P CA 1.927 65.041 63.100 0.023 0.000 0.872 132 P CB 0.257 31.969 31.700 0.021 0.000 0.790 133 G N -1.788 107.024 108.800 0.020 0.000 4.959 133 G HA2 0.405 4.365 3.960 -0.000 0.000 0.297 133 G HA3 0.405 4.365 3.960 -0.000 0.000 0.297 133 G C -0.598 174.313 174.900 0.019 0.000 1.351 133 G CA -0.212 44.898 45.100 0.018 0.000 1.016 133 G HN 0.112 nan 8.290 nan 0.000 0.592 134 M N 1.189 120.802 119.600 0.021 0.000 2.157 134 M HA 0.396 4.876 4.480 -0.000 0.000 0.354 134 M C -0.353 175.960 176.300 0.022 0.000 1.170 134 M CA -0.426 54.889 55.300 0.024 0.000 1.060 134 M CB 1.216 33.834 32.600 0.029 0.000 1.615 134 M HN 0.141 nan 8.290 nan 0.000 0.460 135 E N 2.661 122.874 120.200 0.021 0.000 2.289 135 E HA 0.062 4.412 4.350 -0.000 0.000 0.278 135 E C 0.508 177.122 176.600 0.024 0.000 1.032 135 E CA -0.345 56.066 56.400 0.019 0.000 0.854 135 E CB 1.217 30.927 29.700 0.016 0.000 1.046 135 E HN 0.604 nan 8.360 nan 0.000 0.409 136 R N 3.609 124.121 120.500 0.021 0.000 2.189 136 R HA -0.325 4.015 4.340 -0.000 0.000 0.252 136 R C 1.886 178.205 176.300 0.033 0.000 1.134 136 R CA 2.518 58.632 56.100 0.024 0.000 0.954 136 R CB -0.867 29.444 30.300 0.017 0.000 0.890 136 R HN 0.720 nan 8.270 nan 0.000 0.443 137 A N 0.341 123.180 122.820 0.031 0.000 1.884 137 A HA -0.250 4.070 4.320 -0.000 0.000 0.219 137 A C 1.931 179.549 177.584 0.056 0.000 1.197 137 A CA 2.223 54.285 52.037 0.041 0.000 0.637 137 A CB -0.881 18.136 19.000 0.028 0.000 0.827 137 A HN 0.534 nan 8.150 nan 0.000 0.450 138 D N -0.424 120.004 120.400 0.047 0.000 2.178 138 D HA -0.093 4.547 4.640 -0.000 0.000 0.202 138 D C 1.867 178.206 176.300 0.065 0.000 0.974 138 D CA 0.619 54.653 54.000 0.057 0.000 0.841 138 D CB -0.280 40.545 40.800 0.042 0.000 0.953 138 D HN 0.353 nan 8.370 nan 0.000 0.478 139 L N 0.568 121.824 121.223 0.055 0.000 2.083 139 L HA -0.164 4.175 4.340 -0.000 0.000 0.209 139 L C 1.927 178.836 176.870 0.065 0.000 1.083 139 L CA 1.124 55.999 54.840 0.057 0.000 0.752 139 L CB -0.348 41.738 42.059 0.045 0.000 0.899 139 L HN 0.002 nan 8.230 nan 0.000 0.433 140 L N 0.274 121.535 121.223 0.064 0.000 2.072 140 L HA -0.177 4.163 4.340 -0.000 0.000 0.205 140 L C 2.348 179.272 176.870 0.090 0.000 1.079 140 L CA 1.796 56.675 54.840 0.065 0.000 0.752 140 L CB -0.919 41.177 42.059 0.063 0.000 0.906 140 L HN 0.293 nan 8.230 nan 0.000 0.436 141 D N -0.178 120.296 120.400 0.124 0.000 2.088 141 D HA -0.210 4.430 4.640 -0.000 0.000 0.191 141 D C 2.207 178.584 176.300 0.128 0.000 0.992 141 D CA 1.466 55.570 54.000 0.173 0.000 0.831 141 D CB 0.010 40.930 40.800 0.200 0.000 0.973 141 D HN 0.068 nan 8.370 nan 0.000 0.447 142 I N 0.949 121.586 120.570 0.111 0.000 2.068 142 I HA -0.301 3.869 4.170 -0.000 0.000 0.238 142 I C 2.043 178.232 176.117 0.120 0.000 1.046 142 I CA 1.469 62.830 61.300 0.101 0.000 1.306 142 I CB -1.627 36.425 38.000 0.087 0.000 1.023 142 I HN 0.198 nan 8.210 nan 0.000 0.399 143 N N 1.033 119.817 118.700 0.140 0.000 2.309 143 N HA -0.090 4.650 4.740 -0.000 0.000 0.182 143 N C 1.959 177.646 175.510 0.295 0.000 1.018 143 N CA 1.326 54.512 53.050 0.227 0.000 0.876 143 N CB -0.570 38.042 38.487 0.209 0.000 0.972 143 N HN 0.495 nan 8.380 nan 0.000 0.434 144 G N 1.017 109.916 108.800 0.165 0.000 2.418 144 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.217 144 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.217 144 G C 1.520 176.498 174.900 0.130 0.000 1.158 144 G CA 0.464 45.640 45.100 0.126 0.000 0.771 144 G HN 0.340 nan 8.290 nan 0.000 0.545 145 Q N -0.213 119.643 119.800 0.093 0.000 2.050 145 Q HA -0.041 4.299 4.340 -0.000 0.000 0.202 145 Q C 2.641 178.685 176.000 0.073 0.000 0.980 145 Q CA 1.134 56.977 55.803 0.065 0.000 0.840 145 Q CB -0.238 28.538 28.738 0.064 0.000 0.898 145 Q HN 0.530 nan 8.270 nan 0.000 0.424 146 I N -0.091 120.531 120.570 0.086 0.000 2.118 146 I HA -0.304 3.866 4.170 -0.000 0.000 0.241 146 I C 1.889 177.956 176.117 -0.083 0.000 1.070 146 I CA 1.455 62.748 61.300 -0.013 0.000 1.327 146 I CB -0.327 37.647 38.000 -0.042 0.000 1.034 146 I HN 0.153 nan 8.210 nan 0.000 0.405 147 F N 0.737 120.716 119.950 0.048 0.000 2.365 147 F HA -0.131 4.396 4.527 -0.000 0.000 0.300 147 F C 2.494 178.317 175.800 0.038 0.000 1.090 147 F CA 1.071 59.105 58.000 0.056 0.000 1.408 147 F CB -0.653 38.377 39.000 0.050 0.000 1.060 147 F HN 0.014 nan 8.300 nan 0.000 0.534 148 A N -0.251 122.658 122.820 0.148 0.000 1.873 148 A HA -0.202 4.118 4.320 -0.000 0.000 0.215 148 A C 2.088 179.704 177.584 0.053 0.000 1.186 148 A CA 1.816 53.898 52.037 0.075 0.000 0.616 148 A CB -0.676 18.344 19.000 0.033 0.000 0.823 148 A HN 0.298 nan 8.150 nan 0.000 0.442 149 E N 0.228 120.448 120.200 0.034 0.000 2.031 149 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 149 E C 2.174 178.748 176.600 -0.042 0.000 0.994 149 E CA 1.857 58.263 56.400 0.010 0.000 0.800 149 E CB -0.395 29.308 29.700 0.004 0.000 0.752 149 E HN 0.688 nan 8.360 nan 0.000 0.447 150 Q N -0.693 119.090 119.800 -0.028 0.000 2.234 150 Q HA -0.124 4.216 4.340 -0.000 0.000 0.206 150 Q C 2.115 178.200 176.000 0.143 0.000 0.980 150 Q CA 1.150 57.012 55.803 0.099 0.000 0.869 150 Q CB -0.267 28.539 28.738 0.112 0.000 0.912 150 Q HN 0.436 nan 8.270 nan 0.000 0.436 151 G N 1.433 110.294 108.800 0.102 0.000 2.402 151 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 151 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 151 G C 1.283 176.223 174.900 0.067 0.000 1.162 151 G CA 0.492 45.664 45.100 0.121 0.000 0.777 151 G HN 0.202 nan 8.290 nan 0.000 0.539 152 K N 0.696 121.110 120.400 0.023 0.000 2.026 152 K HA 0.067 4.387 4.320 -0.000 0.000 0.208 152 K C 2.969 179.536 176.600 -0.055 0.000 1.048 152 K CA 0.971 57.278 56.287 0.033 0.000 0.929 152 K CB -0.269 32.292 32.500 0.102 0.000 0.713 152 K HN 0.244 nan 8.250 nan 0.000 0.439 153 A N 1.888 124.484 122.820 -0.372 0.000 1.859 153 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 153 A C 2.221 179.756 177.584 -0.081 0.000 1.198 153 A CA 1.502 53.127 52.037 -0.686 0.000 0.629 153 A CB -0.976 17.479 19.000 -0.909 0.000 0.830 153 A HN 0.186 nan 8.150 nan 0.000 0.446 154 L N -0.614 120.676 121.223 0.111 0.000 2.021 154 L HA -0.302 4.038 4.340 -0.000 0.000 0.215 154 L C 2.563 179.466 176.870 0.055 0.000 1.074 154 L CA 2.070 56.963 54.840 0.090 0.000 0.760 154 L CB -0.608 41.453 42.059 0.003 0.000 0.889 154 L HN 0.671 nan 8.230 nan 0.000 0.433 155 N N -0.547 118.193 118.700 0.066 0.000 2.120 155 N HA -0.181 4.559 4.740 -0.000 0.000 0.188 155 N C 1.724 177.275 175.510 0.068 0.000 1.024 155 N CA 1.433 54.524 53.050 0.067 0.000 0.852 155 N CB -0.035 38.493 38.487 0.069 0.000 1.003 155 N HN 0.326 nan 8.380 nan 0.000 0.424 156 A N -0.596 122.280 122.820 0.093 0.000 1.897 156 A HA 0.065 4.385 4.320 -0.000 0.000 0.215 156 A C 1.852 179.504 177.584 0.114 0.000 1.181 156 A CA 1.246 53.359 52.037 0.127 0.000 0.620 156 A CB -0.197 18.945 19.000 0.237 0.000 0.821 156 A HN 0.249 nan 8.150 nan 0.000 0.443 157 V N -1.277 118.705 119.914 0.112 0.000 3.253 157 V HA 0.593 4.713 4.120 -0.000 0.000 0.320 157 V C 0.430 176.569 176.094 0.075 0.000 1.442 157 V CA 0.483 62.844 62.300 0.102 0.000 1.097 157 V CB -0.099 31.808 31.823 0.140 0.000 1.008 157 V HN 0.631 nan 8.190 nan 0.000 0.463 158 A N -0.203 122.648 122.820 0.050 0.000 2.322 158 A HA 0.739 5.059 4.320 -0.000 0.000 0.327 158 A C 0.246 177.818 177.584 -0.020 0.000 1.134 158 A CA -0.091 51.954 52.037 0.012 0.000 0.831 158 A CB 1.373 20.360 19.000 -0.022 0.000 1.288 158 A HN 0.394 nan 8.150 nan 0.000 0.472 159 S N 1.589 117.260 115.700 -0.049 0.000 2.546 159 S HA 0.132 4.602 4.470 -0.000 0.000 0.290 159 S C -0.901 173.653 174.600 -0.077 0.000 1.262 159 S CA -0.516 57.646 58.200 -0.063 0.000 1.083 159 S CB 0.286 63.432 63.200 -0.090 0.000 0.859 159 S HN 0.481 nan 8.310 nan 0.000 0.495 160 P HA -0.148 nan 4.420 nan 0.000 0.221 160 P C 0.294 177.548 177.300 -0.076 0.000 1.141 160 P CA 1.029 64.100 63.100 -0.049 0.000 0.794 160 P CB 0.015 31.695 31.700 -0.033 0.000 0.764 161 N N -0.186 118.447 118.700 -0.112 0.000 2.480 161 N HA 0.105 4.845 4.740 -0.000 0.000 0.281 161 N C -0.679 174.682 175.510 -0.249 0.000 1.381 161 N CA -0.425 52.534 53.050 -0.152 0.000 0.903 161 N CB 0.054 38.464 38.487 -0.129 0.000 1.274 161 N HN -0.204 nan 8.380 nan 0.000 0.505 162 V N 0.697 120.450 119.914 -0.267 0.000 2.599 162 V HA 0.113 4.233 4.120 -0.000 0.000 0.300 162 V C 0.696 176.484 176.094 -0.511 0.000 1.034 162 V CA -0.282 61.791 62.300 -0.378 0.000 1.115 162 V CB 0.145 31.761 31.823 -0.345 0.000 0.934 162 V HN 0.048 nan 8.190 nan 0.000 0.485 163 K N 4.094 124.055 120.400 -0.733 0.000 2.262 163 K HA 0.501 4.821 4.320 -0.000 0.000 0.282 163 K C -0.701 175.580 176.600 -0.532 0.000 1.066 163 K CA -0.186 55.636 56.287 -0.776 0.000 0.901 163 K CB 1.264 32.830 32.500 -1.558 0.000 1.089 163 K HN 0.582 nan 8.250 nan 0.000 0.476 164 V N 4.439 124.081 119.914 -0.453 0.000 2.394 164 V HA 0.449 4.569 4.120 -0.000 0.000 0.282 164 V C -0.182 175.890 176.094 -0.035 0.000 1.031 164 V CA -0.798 61.295 62.300 -0.345 0.000 0.881 164 V CB 1.285 32.666 31.823 -0.736 0.000 0.982 164 V HN 0.719 nan 8.190 nan 0.000 0.451 165 M N 5.943 125.591 119.600 0.080 0.000 2.046 165 M HA 0.533 5.013 4.480 -0.000 0.000 0.309 165 M C -1.271 175.097 176.300 0.113 0.000 0.935 165 M CA -0.301 55.084 55.300 0.142 0.000 0.915 165 M CB 1.299 33.993 32.600 0.155 0.000 1.474 165 M HN 0.469 nan 8.290 nan 0.000 0.415 166 V N 5.703 125.689 119.914 0.120 0.000 2.432 166 V HA 0.246 4.366 4.120 -0.000 0.000 0.275 166 V C 0.451 176.555 176.094 0.016 0.000 1.043 166 V CA -0.187 62.178 62.300 0.107 0.000 0.925 166 V CB 1.162 33.012 31.823 0.045 0.000 0.985 166 V HN 0.782 nan 8.190 nan 0.000 0.466 167 V N 3.345 123.282 119.914 0.039 0.000 3.562 167 V HA 0.483 4.603 4.120 -0.000 0.000 0.270 167 V C 1.035 177.122 176.094 -0.012 0.000 1.418 167 V CA 0.762 63.043 62.300 -0.032 0.000 1.033 167 V CB 0.198 32.006 31.823 -0.025 0.000 0.820 167 V HN 0.831 nan 8.190 nan 0.000 0.441 168 G N 2.251 111.107 108.800 0.095 0.000 2.361 168 G HA2 0.237 4.197 3.960 -0.000 0.000 0.260 168 G HA3 0.237 4.197 3.960 -0.000 0.000 0.260 168 G C -0.244 174.638 174.900 -0.029 0.000 1.261 168 G CA -0.231 44.951 45.100 0.136 0.000 0.897 168 G HN 0.401 nan 8.290 nan 0.000 0.499 169 N N 2.073 120.784 118.700 0.018 0.000 2.503 169 N HA 0.217 4.957 4.740 -0.000 0.000 0.267 169 N C -2.536 172.968 175.510 -0.011 0.000 1.214 169 N CA -1.176 51.874 53.050 0.001 0.000 0.959 169 N CB 1.491 40.021 38.487 0.071 0.000 1.142 169 N HN 0.168 nan 8.380 nan 0.000 0.455 170 P HA 0.118 nan 4.420 nan 0.000 0.273 170 P C 1.005 178.241 177.300 -0.107 0.000 1.428 170 P CA -0.397 62.687 63.100 -0.028 0.000 0.995 170 P CB -0.127 31.564 31.700 -0.016 0.000 1.286 171 C N 2.047 121.284 119.300 -0.104 0.000 2.363 171 C HA -0.283 4.177 4.460 -0.000 0.000 0.274 171 C C 2.084 176.989 174.990 -0.143 0.000 1.183 171 C CA 1.402 60.311 59.018 -0.181 0.000 1.771 171 C CB -2.104 25.529 27.740 -0.178 0.000 2.059 171 C HN 0.372 nan 8.230 nan 0.000 0.455 172 N N 1.291 119.955 118.700 -0.059 0.000 2.043 172 N HA -0.093 4.646 4.740 -0.000 0.000 0.193 172 N C 1.910 177.403 175.510 -0.028 0.000 1.037 172 N CA 2.611 55.649 53.050 -0.021 0.000 0.851 172 N CB -0.728 37.763 38.487 0.006 0.000 1.027 172 N HN 0.660 nan 8.380 nan 0.000 0.422 173 T N 0.686 115.215 114.554 -0.041 0.000 2.737 173 T HA -0.050 4.299 4.350 -0.000 0.000 0.265 173 T C 1.481 176.125 174.700 -0.093 0.000 1.038 173 T CA 0.930 63.008 62.100 -0.038 0.000 1.144 173 T CB -0.382 68.474 68.868 -0.020 0.000 0.866 173 T HN 0.214 nan 8.240 nan 0.000 0.434 174 N N 1.529 120.105 118.700 -0.205 0.000 2.137 174 N HA -0.080 4.660 4.740 -0.000 0.000 0.190 174 N C 1.934 177.277 175.510 -0.277 0.000 1.017 174 N CA 1.411 54.214 53.050 -0.412 0.000 0.859 174 N CB -0.509 37.356 38.487 -1.037 0.000 1.002 174 N HN 0.469 nan 8.380 nan 0.000 0.428 175 A N 0.345 123.063 122.820 -0.170 0.000 1.897 175 A HA -0.010 4.310 4.320 -0.000 0.000 0.215 175 A C 2.196 179.749 177.584 -0.051 0.000 1.181 175 A CA 0.716 52.747 52.037 -0.010 0.000 0.620 175 A CB -0.653 18.381 19.000 0.058 0.000 0.821 175 A HN 0.236 nan 8.150 nan 0.000 0.443 176 L N 0.418 121.618 121.223 -0.037 0.000 1.989 176 L HA -0.168 4.172 4.340 -0.000 0.000 0.211 176 L C 2.240 179.045 176.870 -0.109 0.000 1.071 176 L CA 1.931 56.747 54.840 -0.039 0.000 0.749 176 L CB -0.547 41.532 42.059 0.033 0.000 0.890 176 L HN 0.451 nan 8.230 nan 0.000 0.431 177 I N -1.355 119.177 120.570 -0.063 0.000 2.118 177 I HA -0.442 3.728 4.170 -0.000 0.000 0.241 177 I C 2.780 178.860 176.117 -0.061 0.000 1.070 177 I CA 1.676 62.949 61.300 -0.045 0.000 1.327 177 I CB -0.784 37.219 38.000 0.004 0.000 1.034 177 I HN 0.500 nan 8.210 nan 0.000 0.405 178 C N 1.523 120.820 119.300 -0.005 0.000 2.376 178 C HA -0.195 4.264 4.460 -0.000 0.000 0.275 178 C C 2.861 177.674 174.990 -0.296 0.000 1.200 178 C CA 1.745 60.788 59.018 0.041 0.000 1.756 178 C CB -1.113 26.819 27.740 0.319 0.000 2.050 178 C HN 0.580 nan 8.230 nan 0.000 0.460 179 L N 0.068 120.777 121.223 -0.857 0.000 2.201 179 L HA 0.064 4.403 4.340 -0.000 0.000 0.212 179 L C 2.192 178.738 176.870 -0.541 0.000 1.105 179 L CA 1.882 55.961 54.840 -1.269 0.000 0.775 179 L CB -1.128 39.972 42.059 -1.600 0.000 0.913 179 L HN 0.063 nan 8.230 nan 0.000 0.440 180 K N 0.771 120.967 120.400 -0.340 0.000 2.211 180 K HA 0.004 4.324 4.320 -0.000 0.000 0.203 180 K C 1.275 177.803 176.600 -0.120 0.000 1.050 180 K CA 1.058 57.233 56.287 -0.186 0.000 0.945 180 K CB -0.396 32.037 32.500 -0.111 0.000 0.732 180 K HN 0.611 nan 8.250 nan 0.000 0.451 181 N N -0.089 118.549 118.700 -0.104 0.000 2.236 181 N HA 0.052 4.792 4.740 -0.000 0.000 0.196 181 N C -0.207 175.292 175.510 -0.019 0.000 1.114 181 N CA 0.032 53.060 53.050 -0.038 0.000 0.859 181 N CB 0.893 39.379 38.487 -0.002 0.000 0.982 181 N HN -0.043 nan 8.380 nan 0.000 0.493 182 A N 1.777 124.563 122.820 -0.058 0.000 3.204 182 A HA 0.307 4.627 4.320 -0.000 0.000 0.327 182 A C -1.661 175.910 177.584 -0.022 0.000 0.998 182 A CA -1.081 50.963 52.037 0.012 0.000 0.891 182 A CB 0.649 19.737 19.000 0.146 0.000 1.061 182 A HN -0.074 nan 8.150 nan 0.000 0.478 183 P HA -0.175 nan 4.420 nan 0.000 0.218 183 P C 0.802 178.095 177.300 -0.012 0.000 1.149 183 P CA 1.243 64.319 63.100 -0.040 0.000 0.817 183 P CB 0.120 31.803 31.700 -0.028 0.000 0.785 184 N N -0.444 118.263 118.700 0.011 0.000 2.381 184 N HA -0.005 4.735 4.740 -0.000 0.000 0.182 184 N C 0.723 176.247 175.510 0.022 0.000 1.025 184 N CA 0.406 53.465 53.050 0.015 0.000 0.888 184 N CB -0.338 38.162 38.487 0.021 0.000 0.965 184 N HN 0.226 nan 8.380 nan 0.000 0.438 185 I N 1.398 122.002 120.570 0.056 0.000 2.365 185 I HA 0.222 4.392 4.170 -0.000 0.000 0.291 185 I C -2.270 173.914 176.117 0.112 0.000 1.004 185 I CA -2.417 58.937 61.300 0.091 0.000 1.311 185 I CB 1.386 39.492 38.000 0.177 0.000 1.401 185 I HN -0.267 nan 8.210 nan 0.000 0.491 186 P HA 0.013 nan 4.420 nan 0.000 0.263 186 P C -1.903 175.460 177.300 0.106 0.000 1.195 186 P CA -0.890 62.231 63.100 0.035 0.000 0.762 186 P CB 0.045 31.742 31.700 -0.005 0.000 0.799 187 P HA -0.149 nan 4.420 nan 0.000 0.225 187 P C 0.768 178.108 177.300 0.067 0.000 1.148 187 P CA 1.480 64.500 63.100 -0.133 0.000 0.779 187 P CB 0.162 31.488 31.700 -0.625 0.000 0.780 188 K N -0.250 120.201 120.400 0.084 0.000 2.283 188 K HA -0.082 4.238 4.320 -0.000 0.000 0.202 188 K C 1.608 178.285 176.600 0.129 0.000 1.048 188 K CA 0.989 57.347 56.287 0.118 0.000 0.948 188 K CB -0.472 32.001 32.500 -0.046 0.000 0.742 188 K HN 0.099 nan 8.250 nan 0.000 0.458 189 N N 0.217 118.967 118.700 0.084 0.000 2.459 189 N HA -0.032 4.708 4.740 -0.000 0.000 0.181 189 N C -0.281 175.117 175.510 -0.187 0.000 1.046 189 N CA 0.663 53.680 53.050 -0.054 0.000 0.904 189 N CB 0.018 38.388 38.487 -0.196 0.000 0.964 189 N HN 0.001 nan 8.380 nan 0.000 0.444 190 F N 1.182 121.043 119.950 -0.148 0.000 2.424 190 F HA 0.236 4.763 4.527 -0.000 0.000 0.356 190 F C 0.799 176.474 175.800 -0.208 0.000 1.110 190 F CA -0.361 57.575 58.000 -0.105 0.000 1.161 190 F CB 0.512 39.472 39.000 -0.068 0.000 1.115 190 F HN -0.013 nan 8.300 nan 0.000 0.507 191 H N 1.896 121.047 119.070 0.134 0.000 2.538 191 H HA 0.662 5.217 4.556 -0.000 0.000 0.353 191 H C -0.677 174.686 175.328 0.060 0.000 1.109 191 H CA -0.924 55.173 56.048 0.081 0.000 1.192 191 H CB 1.972 31.757 29.762 0.039 0.000 1.555 191 H HN 0.673 nan 8.280 nan 0.000 0.518 192 A N 3.386 126.295 122.820 0.147 0.000 2.292 192 A HA 0.299 4.619 4.320 -0.000 0.000 0.319 192 A C -0.253 177.336 177.584 0.008 0.000 1.206 192 A CA -0.712 51.352 52.037 0.045 0.000 0.835 192 A CB 0.536 19.547 19.000 0.019 0.000 1.164 192 A HN 0.574 nan 8.150 nan 0.000 0.505 193 L N 3.932 125.114 121.223 -0.069 0.000 2.454 193 L HA 0.309 4.649 4.340 -0.000 0.000 0.284 193 L C 1.195 177.960 176.870 -0.176 0.000 1.139 193 L CA 0.892 55.666 54.840 -0.110 0.000 0.911 193 L CB 0.279 42.258 42.059 -0.133 0.000 1.262 193 L HN 0.744 nan 8.230 nan 0.000 0.453 194 T N -0.258 114.255 114.554 -0.068 0.000 3.092 194 T HA 0.127 4.476 4.350 -0.000 0.000 0.258 194 T C 1.634 176.338 174.700 0.007 0.000 1.031 194 T CA -0.210 61.888 62.100 -0.003 0.000 0.925 194 T CB -0.060 68.812 68.868 0.006 0.000 1.036 194 T HN 0.482 nan 8.240 nan 0.000 0.544 195 R N 1.411 121.899 120.500 -0.021 0.000 2.096 195 R HA 0.216 4.556 4.340 -0.000 0.000 0.235 195 R C 2.094 178.380 176.300 -0.023 0.000 1.127 195 R CA 0.997 57.086 56.100 -0.018 0.000 0.968 195 R CB -1.171 29.102 30.300 -0.046 0.000 0.861 195 R HN 0.480 nan 8.270 nan 0.000 0.440 196 L N 0.278 121.485 121.223 -0.027 0.000 2.042 196 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 196 L C 1.021 177.893 176.870 0.004 0.000 1.076 196 L CA 2.010 56.839 54.840 -0.019 0.000 0.749 196 L CB -0.447 41.611 42.059 -0.001 0.000 0.893 196 L HN 0.298 nan 8.230 nan 0.000 0.432 197 D N -0.405 120.018 120.400 0.038 0.000 2.117 197 D HA -0.262 4.378 4.640 -0.000 0.000 0.197 197 D C 1.887 178.192 176.300 0.009 0.000 0.987 197 D CA 1.402 55.416 54.000 0.024 0.000 0.829 197 D CB -0.092 40.734 40.800 0.044 0.000 0.961 197 D HN 0.500 nan 8.370 nan 0.000 0.460 198 E N 0.715 120.926 120.200 0.019 0.000 2.038 198 E HA -0.209 4.141 4.350 -0.000 0.000 0.195 198 E C 1.695 178.309 176.600 0.023 0.000 1.000 198 E CA 1.071 57.493 56.400 0.036 0.000 0.803 198 E CB 0.114 29.841 29.700 0.046 0.000 0.750 198 E HN 0.056 nan 8.360 nan 0.000 0.448 199 N N 0.689 119.380 118.700 -0.015 0.000 2.069 199 N HA -0.166 4.573 4.740 -0.000 0.000 0.191 199 N C 1.826 177.316 175.510 -0.033 0.000 1.031 199 N CA 1.268 54.285 53.050 -0.054 0.000 0.852 199 N CB -0.393 38.035 38.487 -0.098 0.000 1.018 199 N HN 0.190 nan 8.380 nan 0.000 0.423 200 R N 0.372 120.862 120.500 -0.017 0.000 2.105 200 R HA 0.005 4.345 4.340 -0.000 0.000 0.239 200 R C 2.073 178.399 176.300 0.043 0.000 1.135 200 R CA 1.296 57.396 56.100 0.001 0.000 0.967 200 R CB -0.296 29.997 30.300 -0.012 0.000 0.861 200 R HN 0.234 nan 8.270 nan 0.000 0.442 201 A N 1.259 124.111 122.820 0.054 0.000 1.929 201 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 201 A C 1.877 179.616 177.584 0.259 0.000 1.176 201 A CA 1.043 53.165 52.037 0.142 0.000 0.628 201 A CB -0.147 18.925 19.000 0.121 0.000 0.816 201 A HN 0.152 nan 8.150 nan 0.000 0.444 202 K N -0.724 119.769 120.400 0.156 0.000 2.026 202 K HA -0.187 4.133 4.320 -0.000 0.000 0.208 202 K C 2.177 178.866 176.600 0.149 0.000 1.048 202 K CA 1.431 57.798 56.287 0.134 0.000 0.929 202 K CB -0.644 31.883 32.500 0.044 0.000 0.713 202 K HN 0.589 nan 8.250 nan 0.000 0.439 203 C N 1.456 120.826 119.300 0.118 0.000 2.401 203 C HA -0.164 4.296 4.460 -0.000 0.000 0.276 203 C C 2.686 177.788 174.990 0.187 0.000 1.233 203 C CA 1.273 60.380 59.018 0.148 0.000 1.753 203 C CB -0.578 27.224 27.740 0.103 0.000 2.029 203 C HN 0.421 nan 8.230 nan 0.000 0.478 204 Q N 0.096 120.040 119.800 0.239 0.000 2.123 204 Q HA 0.090 4.430 4.340 -0.000 0.000 0.199 204 Q C 2.092 178.330 176.000 0.396 0.000 0.966 204 Q CA 1.378 57.385 55.803 0.341 0.000 0.845 204 Q CB -0.309 28.673 28.738 0.406 0.000 0.907 204 Q HN 0.734 nan 8.270 nan 0.000 0.439 205 L N -0.763 120.678 121.223 0.364 0.000 2.217 205 L HA -0.047 4.292 4.340 -0.000 0.000 0.211 205 L C 2.017 178.944 176.870 0.094 0.000 1.107 205 L CA 0.778 55.741 54.840 0.206 0.000 0.783 205 L CB -0.333 41.808 42.059 0.135 0.000 0.919 205 L HN 0.205 nan 8.230 nan 0.000 0.442 206 A N -0.056 122.828 122.820 0.107 0.000 1.874 206 A HA -0.089 4.231 4.320 -0.000 0.000 0.214 206 A C 2.189 179.801 177.584 0.047 0.000 1.189 206 A CA 0.864 52.937 52.037 0.060 0.000 0.615 206 A CB -0.517 18.525 19.000 0.071 0.000 0.830 206 A HN 0.280 nan 8.150 nan 0.000 0.443 207 L N -0.582 120.687 121.223 0.077 0.000 2.013 207 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 207 L C 2.722 179.568 176.870 -0.041 0.000 1.073 207 L CA 1.618 56.486 54.840 0.046 0.000 0.753 207 L CB -0.370 41.744 42.059 0.091 0.000 0.890 207 L HN 0.278 nan 8.230 nan 0.000 0.432 208 K N 0.113 120.450 120.400 -0.105 0.000 2.025 208 K HA -0.073 4.247 4.320 -0.000 0.000 0.207 208 K C 2.000 178.453 176.600 -0.245 0.000 1.049 208 K CA 1.519 57.606 56.287 -0.333 0.000 0.933 208 K CB -0.205 31.854 32.500 -0.736 0.000 0.714 208 K HN 0.270 nan 8.250 nan 0.000 0.438 209 A N -0.162 122.572 122.820 -0.145 0.000 2.168 209 A HA 0.105 4.425 4.320 -0.000 0.000 0.215 209 A C 1.207 178.761 177.584 -0.049 0.000 1.152 209 A CA 1.333 53.316 52.037 -0.091 0.000 0.716 209 A CB -0.395 18.581 19.000 -0.040 0.000 0.794 209 A HN 0.450 nan 8.150 nan 0.000 0.465 210 G N -1.196 107.578 108.800 -0.043 0.000 2.160 210 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.244 210 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.244 210 G C 0.133 175.045 174.900 0.019 0.000 1.022 210 G CA 0.516 45.605 45.100 -0.018 0.000 0.741 210 G HN 1.704 nan 8.290 nan 0.000 0.508 211 V N -3.155 116.778 119.914 0.032 0.000 2.914 211 V HA 0.863 4.983 4.120 -0.000 0.000 0.314 211 V C 0.452 176.588 176.094 0.069 0.000 1.084 211 V CA -2.066 60.265 62.300 0.051 0.000 0.963 211 V CB 1.832 33.665 31.823 0.015 0.000 1.025 211 V HN 0.517 nan 8.190 nan 0.000 0.432 212 F N 3.954 123.813 119.950 -0.152 0.000 2.506 212 F HA 0.338 4.865 4.527 -0.000 0.000 0.351 212 F C 1.229 176.896 175.800 -0.221 0.000 1.136 212 F CA -1.183 56.652 58.000 -0.275 0.000 1.298 212 F CB 0.907 39.714 39.000 -0.322 0.000 1.145 212 F HN 0.761 nan 8.300 nan 0.000 0.593 213 Y N 0.783 120.805 120.300 -0.464 0.000 2.538 213 Y HA -0.133 4.417 4.550 -0.000 0.000 0.287 213 Y C 1.583 177.276 175.900 -0.345 0.000 1.157 213 Y CA 0.814 58.683 58.100 -0.385 0.000 1.338 213 Y CB -1.736 36.484 38.460 -0.399 0.000 0.970 213 Y HN 0.483 nan 8.280 nan 0.000 0.564 214 D N 0.293 120.599 120.400 -0.158 0.000 2.340 214 D HA 0.068 4.708 4.640 -0.000 0.000 0.220 214 D C 1.578 177.841 176.300 -0.062 0.000 1.039 214 D CA 0.946 54.934 54.000 -0.021 0.000 0.866 214 D CB -0.261 40.559 40.800 0.034 0.000 0.913 214 D HN 0.521 nan 8.370 nan 0.000 0.523 215 K N 0.231 120.556 120.400 -0.126 0.000 2.360 215 K HA 0.326 4.646 4.320 -0.000 0.000 0.196 215 K C 0.931 177.418 176.600 -0.188 0.000 1.049 215 K CA 0.153 56.290 56.287 -0.250 0.000 1.049 215 K CB 0.051 32.227 32.500 -0.540 0.000 0.881 215 K HN 0.139 nan 8.250 nan 0.000 0.542 216 V N 2.188 122.040 119.914 -0.103 0.000 2.567 216 V HA 0.614 4.734 4.120 -0.000 0.000 0.289 216 V C 0.365 176.419 176.094 -0.067 0.000 1.049 216 V CA 0.036 62.299 62.300 -0.061 0.000 0.969 216 V CB 1.213 33.032 31.823 -0.007 0.000 0.995 216 V HN 0.665 nan 8.190 nan 0.000 0.471 217 S N 2.067 117.714 115.700 -0.088 0.000 2.790 217 S HA 0.474 4.944 4.470 -0.000 0.000 0.292 217 S C -0.139 174.323 174.600 -0.229 0.000 1.197 217 S CA -0.483 57.629 58.200 -0.147 0.000 0.851 217 S CB 1.014 64.112 63.200 -0.169 0.000 1.217 217 S HN 0.694 nan 8.310 nan 0.000 0.526 218 N N -0.769 117.651 118.700 -0.466 0.000 2.696 218 N HA -0.125 4.615 4.740 -0.000 0.000 0.249 218 N C -0.631 174.709 175.510 -0.283 0.000 1.090 218 N CA 0.980 53.492 53.050 -0.898 0.000 0.716 218 N CB -1.450 36.464 38.487 -0.956 0.000 1.020 218 N HN 0.616 nan 8.380 nan 0.000 0.548 219 V N -0.035 119.853 119.914 -0.043 0.000 2.498 219 V HA 0.513 4.633 4.120 -0.000 0.000 0.279 219 V C 0.891 177.185 176.094 0.333 0.000 1.048 219 V CA 0.003 62.415 62.300 0.187 0.000 0.967 219 V CB 1.585 33.502 31.823 0.157 0.000 0.988 219 V HN 0.315 nan 8.190 nan 0.000 0.473 220 T N 5.477 120.243 114.554 0.352 0.000 2.907 220 T HA 0.692 5.042 4.350 -0.000 0.000 0.292 220 T C -1.024 173.663 174.700 -0.023 0.000 1.043 220 T CA -0.665 61.511 62.100 0.127 0.000 1.003 220 T CB 1.395 70.190 68.868 -0.122 0.000 1.084 220 T HN 0.343 nan 8.240 nan 0.000 0.483 221 I N 3.282 123.733 120.570 -0.198 0.000 2.465 221 I HA 0.476 4.645 4.170 -0.000 0.000 0.291 221 I C -1.036 174.898 176.117 -0.305 0.000 1.014 221 I CA -0.717 60.508 61.300 -0.125 0.000 1.093 221 I CB 1.732 39.696 38.000 -0.061 0.000 1.267 221 I HN 0.779 nan 8.210 nan 0.000 0.431 222 W N 3.736 124.971 121.300 -0.109 0.000 2.647 222 W HA 0.699 5.359 4.660 -0.000 0.000 0.353 222 W C 0.814 177.044 176.519 -0.482 0.000 1.080 222 W CA 0.229 57.456 57.345 -0.197 0.000 1.208 222 W CB 1.157 30.614 29.460 -0.004 0.000 1.396 222 W HN 0.839 nan 8.180 nan 0.000 0.573 223 G N 1.437 109.598 108.800 -1.065 0.000 2.584 223 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.229 223 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.229 223 G C -0.462 174.028 174.900 -0.685 0.000 1.320 223 G CA -0.626 43.686 45.100 -1.313 0.000 0.891 223 G HN 0.607 nan 8.290 nan 0.000 0.573 224 N N -0.002 118.486 118.700 -0.353 0.000 2.467 224 N HA 0.361 5.101 4.740 -0.000 0.000 0.262 224 N C 0.343 175.801 175.510 -0.086 0.000 1.234 224 N CA -0.106 52.850 53.050 -0.157 0.000 0.952 224 N CB 0.732 39.171 38.487 -0.081 0.000 1.158 224 N HN 0.766 nan 8.380 nan 0.000 0.463 225 H N 0.417 119.421 119.070 -0.110 0.000 2.970 225 H HA 0.317 4.873 4.556 -0.000 0.000 0.226 225 H C -0.565 174.722 175.328 -0.068 0.000 1.909 225 H CA 0.010 56.007 56.048 -0.085 0.000 1.388 225 H CB -0.636 29.085 29.762 -0.068 0.000 1.773 225 H HN 0.463 nan 8.280 nan 0.000 0.559 226 S N -0.046 115.515 115.700 -0.232 0.000 2.727 226 S HA 0.109 4.579 4.470 -0.000 0.000 0.278 226 S C 0.941 175.439 174.600 -0.170 0.000 1.186 226 S CA -0.331 57.745 58.200 -0.207 0.000 0.836 226 S CB 0.508 63.644 63.200 -0.108 0.000 1.186 226 S HN 0.328 nan 8.310 nan 0.000 0.499 227 T N -1.218 113.260 114.554 -0.128 0.000 3.320 227 T HA 0.064 4.414 4.350 -0.000 0.000 0.262 227 T C 1.273 175.923 174.700 -0.083 0.000 1.187 227 T CA 1.251 63.289 62.100 -0.102 0.000 1.038 227 T CB -1.398 67.423 68.868 -0.078 0.000 0.939 227 T HN 0.989 nan 8.240 nan 0.000 0.550 228 T N -1.739 112.765 114.554 -0.083 0.000 3.023 228 T HA 0.164 4.514 4.350 -0.000 0.000 0.253 228 T C 0.755 175.410 174.700 -0.075 0.000 1.038 228 T CA -0.709 61.352 62.100 -0.066 0.000 0.962 228 T CB -0.164 68.675 68.868 -0.048 0.000 1.018 228 T HN 0.732 nan 8.240 nan 0.000 0.521 229 Q N 1.670 121.413 119.800 -0.095 0.000 2.524 229 Q HA 0.394 4.734 4.340 -0.000 0.000 0.246 229 Q C -0.181 175.793 176.000 -0.043 0.000 1.063 229 Q CA -0.741 55.009 55.803 -0.088 0.000 0.945 229 Q CB 0.817 29.495 28.738 -0.099 0.000 1.292 229 Q HN 0.309 nan 8.270 nan 0.000 0.518 230 V N -1.531 118.399 119.914 0.027 0.000 2.380 230 V HA 0.440 4.560 4.120 -0.000 0.000 0.286 230 V C -2.805 173.382 176.094 0.155 0.000 1.015 230 V CA -2.651 59.693 62.300 0.074 0.000 0.834 230 V CB 1.394 33.248 31.823 0.052 0.000 1.009 230 V HN 0.662 nan 8.190 nan 0.000 0.428 231 P HA 0.199 nan 4.420 nan 0.000 0.267 231 P C -0.481 177.082 177.300 0.438 0.000 1.328 231 P CA 0.347 63.531 63.100 0.140 0.000 0.990 231 P CB -0.008 31.506 31.700 -0.310 0.000 1.168 232 D N 2.976 123.609 120.400 0.388 0.000 2.346 232 D HA -0.034 4.606 4.640 -0.000 0.000 0.267 232 D C 0.623 177.104 176.300 0.301 0.000 1.320 232 D CA -0.157 54.030 54.000 0.312 0.000 0.951 232 D CB -0.104 40.951 40.800 0.425 0.000 1.079 232 D HN 0.286 nan 8.370 nan 0.000 0.509 233 F N 2.694 122.843 119.950 0.330 0.000 2.743 233 F HA 0.143 4.670 4.527 -0.000 0.000 0.297 233 F C 1.345 177.200 175.800 0.091 0.000 1.131 233 F CA -0.477 57.595 58.000 0.119 0.000 1.426 233 F CB -0.422 38.507 39.000 -0.119 0.000 1.116 233 F HN 0.325 nan 8.300 nan 0.000 0.583 234 L N 1.612 122.664 121.223 -0.284 0.000 2.093 234 L HA -0.003 4.336 4.340 -0.000 0.000 0.208 234 L C 1.491 178.374 176.870 0.021 0.000 1.085 234 L CA 1.761 56.533 54.840 -0.113 0.000 0.755 234 L CB -0.874 41.035 42.059 -0.250 0.000 0.904 234 L HN 0.195 nan 8.230 nan 0.000 0.435 235 N N -0.313 118.428 118.700 0.069 0.000 2.236 235 N HA 0.204 4.944 4.740 -0.000 0.000 0.196 235 N C 0.482 176.097 175.510 0.174 0.000 1.114 235 N CA 0.566 53.719 53.050 0.171 0.000 0.859 235 N CB 0.332 39.005 38.487 0.310 0.000 0.982 235 N HN 0.329 nan 8.380 nan 0.000 0.493 236 A N 1.215 124.121 122.820 0.144 0.000 2.313 236 A HA 0.456 4.776 4.320 -0.000 0.000 0.261 236 A C 0.261 177.859 177.584 0.025 0.000 1.090 236 A CA 0.127 52.211 52.037 0.079 0.000 0.807 236 A CB 0.736 19.815 19.000 0.131 0.000 1.055 236 A HN 0.061 nan 8.150 nan 0.000 0.492 237 K N -0.137 120.246 120.400 -0.029 0.000 2.477 237 K HA 0.677 4.996 4.320 -0.000 0.000 0.255 237 K C -1.645 174.941 176.600 -0.023 0.000 0.952 237 K CA -0.353 55.918 56.287 -0.026 0.000 0.826 237 K CB 2.389 34.852 32.500 -0.063 0.000 1.331 237 K HN 0.586 nan 8.250 nan 0.000 0.437 238 I N 2.511 123.083 120.570 0.004 0.000 2.499 238 I HA 0.205 4.375 4.170 -0.000 0.000 0.288 238 I C 0.362 176.525 176.117 0.077 0.000 1.048 238 I CA -0.463 60.839 61.300 0.003 0.000 1.062 238 I CB 1.406 39.422 38.000 0.026 0.000 1.238 238 I HN 0.821 nan 8.210 nan 0.000 0.426 239 H N 4.417 123.480 119.070 -0.011 0.000 3.904 239 H HA -0.234 4.322 4.556 -0.000 0.000 0.189 239 H C 1.257 176.576 175.328 -0.014 0.000 0.960 239 H CA 1.718 57.761 56.048 -0.009 0.000 1.226 239 H CB -0.707 29.050 29.762 -0.007 0.000 1.078 239 H HN 1.088 nan 8.280 nan 0.000 0.347 240 G N -0.078 108.768 108.800 0.077 0.000 2.367 240 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.181 240 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.181 240 G C 0.338 175.254 174.900 0.026 0.000 1.000 240 G CA 0.090 45.212 45.100 0.037 0.000 0.693 240 G HN 0.604 nan 8.290 nan 0.000 0.480 241 I N -0.604 119.990 120.570 0.041 0.000 2.493 241 I HA 0.676 4.846 4.170 -0.000 0.000 0.298 241 I C -2.316 173.818 176.117 0.029 0.000 0.998 241 I CA -3.155 58.163 61.300 0.030 0.000 1.137 241 I CB 1.935 39.953 38.000 0.030 0.000 1.310 241 I HN -0.157 nan 8.210 nan 0.000 0.445 242 P HA -0.090 nan 4.420 nan 0.000 0.263 242 P C 1.170 178.499 177.300 0.047 0.000 1.168 242 P CA 0.067 63.191 63.100 0.041 0.000 0.759 242 P CB 0.910 32.639 31.700 0.049 0.000 0.782 243 V N 3.361 123.309 119.914 0.058 0.000 2.380 243 V HA -0.292 3.828 4.120 -0.000 0.000 0.251 243 V C 2.510 178.634 176.094 0.050 0.000 1.063 243 V CA 2.877 65.206 62.300 0.049 0.000 1.055 243 V CB -1.923 29.936 31.823 0.059 0.000 0.657 243 V HN 0.647 nan 8.190 nan 0.000 0.455 244 T N 0.821 115.433 114.554 0.096 0.000 2.721 244 T HA -0.267 4.083 4.350 -0.000 0.000 0.268 244 T C 1.260 175.984 174.700 0.040 0.000 1.038 244 T CA 1.739 63.894 62.100 0.092 0.000 1.145 244 T CB -0.447 68.498 68.868 0.128 0.000 0.858 244 T HN 0.874 nan 8.240 nan 0.000 0.459 245 E N 0.989 121.208 120.200 0.032 0.000 2.423 245 E HA 0.352 4.702 4.350 -0.000 0.000 0.198 245 E C 0.734 177.336 176.600 0.004 0.000 1.038 245 E CA -0.158 56.251 56.400 0.015 0.000 1.011 245 E CB 0.257 29.967 29.700 0.018 0.000 1.118 245 E HN 0.400 nan 8.360 nan 0.000 0.451 246 V N 0.022 119.935 119.914 -0.002 0.000 3.103 246 V HA 0.178 4.298 4.120 -0.000 0.000 0.229 246 V C 0.815 176.885 176.094 -0.040 0.000 1.304 246 V CA 0.085 62.379 62.300 -0.011 0.000 1.298 246 V CB 0.547 32.376 31.823 0.009 0.000 1.093 246 V HN 0.268 nan 8.190 nan 0.000 0.489 247 I N 1.700 122.239 120.570 -0.051 0.000 2.377 247 I HA 0.298 4.468 4.170 -0.000 0.000 0.282 247 I C 0.970 177.045 176.117 -0.069 0.000 1.091 247 I CA -0.218 61.026 61.300 -0.093 0.000 1.207 247 I CB 0.973 38.901 38.000 -0.119 0.000 1.429 247 I HN 0.158 nan 8.210 nan 0.000 0.491 248 R N 1.234 121.698 120.500 -0.060 0.000 2.307 248 R HA -0.047 4.292 4.340 -0.000 0.000 0.199 248 R C 0.675 176.949 176.300 -0.043 0.000 1.000 248 R CA 0.282 56.357 56.100 -0.041 0.000 1.023 248 R CB -0.325 29.955 30.300 -0.032 0.000 0.908 248 R HN 0.387 nan 8.270 nan 0.000 0.473 249 D N 1.023 121.388 120.400 -0.057 0.000 2.600 249 D HA -0.022 4.618 4.640 -0.000 0.000 0.226 249 D C 0.975 177.267 176.300 -0.012 0.000 1.119 249 D CA -0.034 53.947 54.000 -0.030 0.000 1.051 249 D CB 0.167 40.936 40.800 -0.050 0.000 1.106 249 D HN -0.135 nan 8.370 nan 0.000 0.491 250 R N 2.027 122.501 120.500 -0.044 0.000 2.117 250 R HA -0.148 4.192 4.340 -0.000 0.000 0.243 250 R C 1.681 177.909 176.300 -0.119 0.000 1.143 250 R CA 1.560 57.604 56.100 -0.093 0.000 0.968 250 R CB 0.018 30.290 30.300 -0.048 0.000 0.863 250 R HN 0.258 nan 8.270 nan 0.000 0.444 251 K N -1.637 118.736 120.400 -0.045 0.000 2.097 251 K HA -0.198 4.121 4.320 -0.000 0.000 0.206 251 K C 1.857 178.439 176.600 -0.030 0.000 1.049 251 K CA 1.523 57.786 56.287 -0.041 0.000 0.933 251 K CB -0.362 32.141 32.500 0.005 0.000 0.717 251 K HN 0.263 nan 8.250 nan 0.000 0.442 252 W N 1.951 123.158 121.300 -0.155 0.000 2.353 252 W HA -0.178 4.481 4.660 -0.000 0.000 0.319 252 W C 1.625 178.031 176.519 -0.189 0.000 1.207 252 W CA 1.372 58.639 57.345 -0.131 0.000 1.291 252 W CB -0.498 28.888 29.460 -0.123 0.000 1.159 252 W HN -0.094 nan 8.180 nan 0.000 0.478 253 L N 0.299 121.372 121.223 -0.250 0.000 2.051 253 L HA -0.294 4.045 4.340 -0.000 0.000 0.214 253 L C 2.342 178.793 176.870 -0.697 0.000 1.076 253 L CA 2.059 56.383 54.840 -0.860 0.000 0.758 253 L CB -0.891 40.185 42.059 -1.638 0.000 0.890 253 L HN 0.161 nan 8.230 nan 0.000 0.433 254 E N -0.488 119.412 120.200 -0.499 0.000 2.045 254 E HA -0.127 4.223 4.350 -0.000 0.000 0.190 254 E C 1.692 178.232 176.600 -0.100 0.000 0.968 254 E CA 0.898 57.078 56.400 -0.367 0.000 0.813 254 E CB 0.024 29.317 29.700 -0.677 0.000 0.780 254 E HN 0.422 nan 8.360 nan 0.000 0.455 255 D N 0.252 120.571 120.400 -0.134 0.000 2.277 255 D HA -0.055 4.585 4.640 -0.000 0.000 0.208 255 D C 1.246 177.469 176.300 -0.128 0.000 0.962 255 D CA 0.964 54.922 54.000 -0.070 0.000 0.865 255 D CB 0.203 40.976 40.800 -0.045 0.000 0.939 255 D HN 0.208 nan 8.370 nan 0.000 0.510 256 E N -1.186 118.831 120.200 -0.306 0.000 2.444 256 E HA 0.058 4.408 4.350 -0.000 0.000 0.203 256 E C 1.364 177.607 176.600 -0.595 0.000 0.847 256 E CA -0.446 55.687 56.400 -0.445 0.000 1.142 256 E CB 0.059 29.453 29.700 -0.510 0.000 1.125 256 E HN -0.051 nan 8.360 nan 0.000 0.521 257 F N 2.806 122.038 119.950 -1.198 0.000 2.054 257 F HA -0.375 4.152 4.527 -0.000 0.000 0.294 257 F C 2.119 177.692 175.800 -0.378 0.000 1.126 257 F CA 2.441 59.828 58.000 -1.023 0.000 1.226 257 F CB -1.049 37.487 39.000 -0.773 0.000 0.947 257 F HN -0.049 nan 8.300 nan 0.000 0.509 258 T N 0.274 114.618 114.554 -0.350 0.000 2.624 258 T HA -0.325 4.025 4.350 -0.000 0.000 0.268 258 T C 1.670 176.207 174.700 -0.272 0.000 1.041 258 T CA 2.084 63.981 62.100 -0.339 0.000 1.159 258 T CB -0.778 68.046 68.868 -0.074 0.000 0.863 258 T HN 0.322 nan 8.240 nan 0.000 0.434 259 N N 0.118 118.704 118.700 -0.189 0.000 2.443 259 N HA 0.045 4.785 4.740 -0.000 0.000 0.184 259 N C 1.782 177.218 175.510 -0.124 0.000 1.037 259 N CA 0.710 53.681 53.050 -0.133 0.000 0.896 259 N CB -0.147 38.285 38.487 -0.092 0.000 0.959 259 N HN 0.332 nan 8.380 nan 0.000 0.442 260 M N -0.511 118.996 119.600 -0.155 0.000 2.193 260 M HA -0.039 4.441 4.480 -0.000 0.000 0.265 260 M C 2.227 178.474 176.300 -0.090 0.000 1.071 260 M CA 0.961 56.217 55.300 -0.072 0.000 1.140 260 M CB -0.688 31.919 32.600 0.011 0.000 1.369 260 M HN 0.182 nan 8.290 nan 0.000 0.423 261 V N -1.027 118.773 119.914 -0.191 0.000 2.379 261 V HA -0.216 3.904 4.120 -0.000 0.000 0.245 261 V C 1.899 177.913 176.094 -0.133 0.000 1.044 261 V CA 1.748 63.947 62.300 -0.169 0.000 1.036 261 V CB -1.070 30.582 31.823 -0.285 0.000 0.664 261 V HN 0.478 nan 8.190 nan 0.000 0.453 262 Q N 0.869 120.577 119.800 -0.153 0.000 2.364 262 Q HA -0.116 4.224 4.340 -0.000 0.000 0.209 262 Q C 1.834 177.779 176.000 -0.091 0.000 0.977 262 Q CA 1.929 57.657 55.803 -0.125 0.000 0.885 262 Q CB -0.092 28.571 28.738 -0.125 0.000 0.941 262 Q HN 0.960 nan 8.270 nan 0.000 0.464 263 T N -4.096 110.414 114.554 -0.073 0.000 3.043 263 T HA 0.226 4.575 4.350 -0.000 0.000 0.272 263 T C 1.395 176.074 174.700 -0.035 0.000 0.990 263 T CA -0.573 61.498 62.100 -0.049 0.000 0.897 263 T CB 0.235 69.079 68.868 -0.039 0.000 1.111 263 T HN -0.008 nan 8.240 nan 0.000 0.529 264 R N 2.071 122.550 120.500 -0.035 0.000 2.112 264 R HA -0.063 4.277 4.340 -0.000 0.000 0.242 264 R C 2.517 178.807 176.300 -0.016 0.000 1.137 264 R CA 2.309 58.398 56.100 -0.018 0.000 0.944 264 R CB -1.356 28.934 30.300 -0.016 0.000 0.857 264 R HN 0.569 nan 8.270 nan 0.000 0.435 265 G N -1.027 107.761 108.800 -0.020 0.000 2.422 265 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.218 265 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.218 265 G C 1.589 176.484 174.900 -0.009 0.000 1.146 265 G CA 0.950 46.043 45.100 -0.011 0.000 0.769 265 G HN 0.526 nan 8.290 nan 0.000 0.547 266 G N 0.619 109.409 108.800 -0.017 0.000 2.418 266 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.217 266 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.217 266 G C 1.946 176.832 174.900 -0.023 0.000 1.158 266 G CA 1.973 47.064 45.100 -0.016 0.000 0.771 266 G HN 0.807 nan 8.290 nan 0.000 0.545 267 V N -1.000 118.898 119.914 -0.026 0.000 2.591 267 V HA 0.065 4.185 4.120 -0.000 0.000 0.249 267 V C 2.492 178.563 176.094 -0.038 0.000 1.053 267 V CA 1.370 63.649 62.300 -0.036 0.000 1.068 267 V CB -0.438 31.370 31.823 -0.025 0.000 0.689 267 V HN 0.168 nan 8.190 nan 0.000 0.462 268 L N 0.383 121.594 121.223 -0.020 0.000 2.083 268 L HA -0.018 4.321 4.340 -0.000 0.000 0.209 268 L C 2.307 179.174 176.870 -0.005 0.000 1.083 268 L CA 2.163 56.996 54.840 -0.011 0.000 0.752 268 L CB -0.727 41.330 42.059 -0.003 0.000 0.899 268 L HN 0.396 nan 8.230 nan 0.000 0.433 269 I N -0.583 119.988 120.570 0.003 0.000 2.546 269 I HA -0.259 3.911 4.170 -0.000 0.000 0.255 269 I C 2.554 178.674 176.117 0.007 0.000 1.163 269 I CA 1.197 62.519 61.300 0.036 0.000 1.457 269 I CB -0.296 37.737 38.000 0.054 0.000 1.092 269 I HN 0.338 nan 8.210 nan 0.000 0.434 270 K N 0.679 121.024 120.400 -0.093 0.000 2.147 270 K HA -0.112 4.208 4.320 -0.000 0.000 0.205 270 K C 1.200 177.568 176.600 -0.386 0.000 1.049 270 K CA 1.121 57.241 56.287 -0.278 0.000 0.936 270 K CB -0.561 31.798 32.500 -0.235 0.000 0.722 270 K HN 0.151 nan 8.250 nan 0.000 0.446 271 K N 0.332 120.627 120.400 -0.175 0.000 2.278 271 K HA 0.073 4.393 4.320 -0.000 0.000 0.237 271 K C -1.144 175.478 176.600 0.037 0.000 1.229 271 K CA -0.956 55.264 56.287 -0.113 0.000 1.155 271 K CB -1.543 30.932 32.500 -0.042 0.000 1.590 271 K HN 0.534 nan 8.250 nan 0.000 0.290 272 W N 1.106 122.412 121.300 0.010 0.000 3.090 272 W HA -0.290 4.370 4.660 -0.000 0.000 0.358 272 W C 1.565 178.090 176.519 0.010 0.000 0.730 272 W CA 0.188 57.539 57.345 0.010 0.000 0.464 272 W CB -0.586 28.880 29.460 0.010 0.000 2.838 272 W HN 0.883 nan 8.180 nan 0.000 0.425 273 G N 2.676 111.804 108.800 0.547 0.000 2.340 273 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.302 273 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.302 273 G C 0.622 175.608 174.900 0.143 0.000 1.027 273 G CA 1.153 46.411 45.100 0.263 0.000 0.695 273 G HN 0.656 nan 8.290 nan 0.000 0.541 274 R N 0.012 120.589 120.500 0.128 0.000 2.410 274 R HA 0.593 4.933 4.340 -0.000 0.000 0.288 274 R C 0.631 176.968 176.300 0.061 0.000 1.051 274 R CA -0.007 56.141 56.100 0.081 0.000 1.021 274 R CB 0.960 31.303 30.300 0.072 0.000 1.032 274 R HN 0.256 nan 8.270 nan 0.000 0.481 275 S N 1.551 117.278 115.700 0.044 0.000 2.624 275 S HA 0.033 4.503 4.470 -0.000 0.000 0.263 275 S C 0.544 175.142 174.600 -0.002 0.000 1.287 275 S CA -0.479 57.738 58.200 0.027 0.000 0.990 275 S CB 1.101 64.318 63.200 0.028 0.000 0.950 275 S HN 0.752 nan 8.310 nan 0.000 0.561 276 S N 0.007 115.698 115.700 -0.013 0.000 3.227 276 S HA 0.338 4.808 4.470 -0.000 0.000 0.249 276 S C 1.278 175.824 174.600 -0.090 0.000 1.322 276 S CA -0.269 57.905 58.200 -0.044 0.000 1.253 276 S CB -1.036 62.148 63.200 -0.028 0.000 1.076 276 S HN 0.939 nan 8.310 nan 0.000 0.471 277 A N 2.401 125.148 122.820 -0.121 0.000 1.865 277 A HA 0.066 4.386 4.320 -0.000 0.000 0.217 277 A C 2.507 179.845 177.584 -0.410 0.000 1.191 277 A CA 1.701 53.615 52.037 -0.205 0.000 0.623 277 A CB -1.523 17.377 19.000 -0.168 0.000 0.826 277 A HN 0.959 nan 8.150 nan 0.000 0.444 278 A N -0.378 122.086 122.820 -0.593 0.000 1.908 278 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 278 A C 2.459 179.902 177.584 -0.234 0.000 1.181 278 A CA 2.343 54.048 52.037 -0.554 0.000 0.627 278 A CB -0.953 17.844 19.000 -0.339 0.000 0.818 278 A HN 0.566 nan 8.150 nan 0.000 0.445 279 S N -0.185 115.415 115.700 -0.166 0.000 2.355 279 S HA -0.134 4.336 4.470 -0.000 0.000 0.222 279 S C 1.995 176.531 174.600 -0.106 0.000 1.031 279 S CA 1.751 59.884 58.200 -0.112 0.000 0.993 279 S CB -0.918 62.232 63.200 -0.082 0.000 0.859 279 S HN 0.658 nan 8.310 nan 0.000 0.453 280 T N 2.793 117.287 114.554 -0.100 0.000 2.720 280 T HA -0.045 4.304 4.350 -0.000 0.000 0.268 280 T C 2.181 176.830 174.700 -0.086 0.000 1.037 280 T CA 1.245 63.297 62.100 -0.080 0.000 1.144 280 T CB -0.632 68.200 68.868 -0.060 0.000 0.864 280 T HN 0.495 nan 8.240 nan 0.000 0.444 281 A N 1.028 123.791 122.820 -0.096 0.000 1.908 281 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 281 A C 2.597 180.132 177.584 -0.082 0.000 1.181 281 A CA 1.490 53.490 52.037 -0.062 0.000 0.627 281 A CB -1.013 17.974 19.000 -0.022 0.000 0.818 281 A HN 0.376 nan 8.150 nan 0.000 0.445 282 V N 0.774 120.631 119.914 -0.096 0.000 2.307 282 V HA -0.231 3.889 4.120 -0.000 0.000 0.245 282 V C 3.023 179.040 176.094 -0.129 0.000 1.045 282 V CA 2.310 64.544 62.300 -0.110 0.000 1.024 282 V CB -0.981 30.776 31.823 -0.108 0.000 0.651 282 V HN 0.834 nan 8.190 nan 0.000 0.449 283 S N 0.461 116.090 115.700 -0.118 0.000 2.370 283 S HA -0.214 4.256 4.470 -0.000 0.000 0.226 283 S C 1.982 176.500 174.600 -0.137 0.000 1.033 283 S CA 1.888 60.017 58.200 -0.118 0.000 1.011 283 S CB -0.758 62.386 63.200 -0.093 0.000 0.852 283 S HN 0.533 nan 8.310 nan 0.000 0.457 284 I N 2.004 122.495 120.570 -0.131 0.000 2.208 284 I HA -0.147 4.023 4.170 -0.000 0.000 0.245 284 I C 2.787 178.775 176.117 -0.215 0.000 1.097 284 I CA 1.545 62.755 61.300 -0.149 0.000 1.363 284 I CB -0.616 37.314 38.000 -0.117 0.000 1.051 284 I HN 0.444 nan 8.210 nan 0.000 0.413 285 V N -0.342 119.438 119.914 -0.222 0.000 2.548 285 V HA -0.212 3.908 4.120 -0.000 0.000 0.249 285 V C 1.921 177.826 176.094 -0.315 0.000 1.055 285 V CA 1.996 64.115 62.300 -0.302 0.000 1.065 285 V CB -0.514 31.144 31.823 -0.275 0.000 0.681 285 V HN 0.295 nan 8.190 nan 0.000 0.462 286 D N 1.107 121.359 120.400 -0.246 0.000 2.144 286 D HA -0.058 4.582 4.640 -0.000 0.000 0.199 286 D C 2.335 178.464 176.300 -0.286 0.000 0.984 286 D CA 1.797 55.654 54.000 -0.239 0.000 0.834 286 D CB -0.326 40.364 40.800 -0.184 0.000 0.955 286 D HN 0.614 nan 8.370 nan 0.000 0.465 287 A N 0.998 123.656 122.820 -0.269 0.000 1.865 287 A HA -0.161 4.158 4.320 -0.000 0.000 0.217 287 A C 2.392 179.741 177.584 -0.393 0.000 1.191 287 A CA 1.044 52.904 52.037 -0.294 0.000 0.623 287 A CB -0.800 18.075 19.000 -0.209 0.000 0.826 287 A HN 0.194 nan 8.150 nan 0.000 0.444 288 I N -0.908 119.407 120.570 -0.424 0.000 2.226 288 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 288 I C 2.781 178.575 176.117 -0.539 0.000 1.100 288 I CA 1.460 62.412 61.300 -0.580 0.000 1.374 288 I CB -0.378 37.103 38.000 -0.864 0.000 1.057 288 I HN 0.309 nan 8.210 nan 0.000 0.413 289 R N 0.295 120.500 120.500 -0.491 0.000 2.096 289 R HA -0.101 4.239 4.340 -0.000 0.000 0.235 289 R C 2.371 178.461 176.300 -0.350 0.000 1.127 289 R CA 1.499 57.364 56.100 -0.393 0.000 0.968 289 R CB -0.413 29.688 30.300 -0.330 0.000 0.861 289 R HN 0.223 nan 8.270 nan 0.000 0.440 290 S N 0.877 116.288 115.700 -0.482 0.000 2.465 290 S HA -0.046 4.424 4.470 -0.000 0.000 0.241 290 S C 1.684 175.877 174.600 -0.678 0.000 1.000 290 S CA 0.892 58.658 58.200 -0.724 0.000 0.964 290 S CB -0.032 62.347 63.200 -1.368 0.000 0.763 290 S HN 0.251 nan 8.310 nan 0.000 0.512 291 L N -0.360 120.627 121.223 -0.394 0.000 2.470 291 L HA 0.186 4.525 4.340 -0.000 0.000 0.219 291 L C 1.506 178.418 176.870 0.071 0.000 1.071 291 L CA 0.350 55.150 54.840 -0.067 0.000 0.850 291 L CB 0.049 42.165 42.059 0.096 0.000 1.040 291 L HN 0.134 nan 8.230 nan 0.000 0.475 292 V N -0.898 119.017 119.914 0.002 0.000 3.650 292 V HA 0.044 4.164 4.120 -0.000 0.000 0.271 292 V C 0.761 176.862 176.094 0.012 0.000 1.281 292 V CA 0.780 63.119 62.300 0.067 0.000 1.120 292 V CB -0.257 31.593 31.823 0.045 0.000 0.856 292 V HN 0.497 nan 8.190 nan 0.000 0.443 293 T N -0.902 113.630 114.554 -0.038 0.000 2.861 293 T HA 0.492 4.842 4.350 -0.000 0.000 0.287 293 T C -3.151 171.556 174.700 0.011 0.000 1.003 293 T CA -2.360 59.725 62.100 -0.024 0.000 0.977 293 T CB 2.327 71.155 68.868 -0.066 0.000 0.996 293 T HN -0.032 nan 8.240 nan 0.000 0.448 294 P HA 0.113 nan 4.420 nan 0.000 0.265 294 P C 0.041 177.389 177.300 0.080 0.000 1.222 294 P CA 0.004 63.146 63.100 0.070 0.000 0.767 294 P CB -0.028 31.707 31.700 0.059 0.000 0.801 295 T N 6.611 121.248 114.554 0.138 0.000 2.905 295 T HA 0.052 4.402 4.350 -0.000 0.000 0.299 295 T C -1.834 172.933 174.700 0.112 0.000 1.024 295 T CA -0.058 62.143 62.100 0.169 0.000 1.151 295 T CB -0.939 68.101 68.868 0.286 0.000 0.987 295 T HN 0.376 nan 8.240 nan 0.000 0.535 296 P HA 0.017 nan 4.420 nan 0.000 0.266 296 P C 0.211 177.542 177.300 0.053 0.000 1.193 296 P CA -0.220 62.908 63.100 0.048 0.000 0.770 296 P CB 0.367 32.080 31.700 0.022 0.000 0.836 297 E N 2.082 122.308 120.200 0.043 0.000 2.729 297 E HA -0.022 4.328 4.350 -0.000 0.000 0.246 297 E C 1.120 177.740 176.600 0.034 0.000 0.984 297 E CA 1.107 57.535 56.400 0.046 0.000 0.951 297 E CB -0.701 29.021 29.700 0.036 0.000 0.914 297 E HN 0.780 nan 8.360 nan 0.000 0.509 298 G N 3.985 112.819 108.800 0.057 0.000 2.205 298 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.261 298 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.261 298 G C 0.294 175.181 174.900 -0.022 0.000 0.980 298 G CA 0.376 45.501 45.100 0.043 0.000 0.632 298 G HN 0.658 nan 8.290 nan 0.000 0.533 299 D N -0.438 119.945 120.400 -0.028 0.000 2.506 299 D HA 0.692 5.332 4.640 -0.000 0.000 0.272 299 D C 0.352 176.692 176.300 0.067 0.000 1.214 299 D CA 0.258 54.168 54.000 -0.149 0.000 1.067 299 D CB 0.812 41.551 40.800 -0.101 0.000 1.117 299 D HN 0.647 nan 8.370 nan 0.000 0.578 300 W N -0.280 121.051 121.300 0.051 0.000 2.989 300 W HA 0.544 5.203 4.660 -0.000 0.000 0.344 300 W C -1.959 174.599 176.519 0.064 0.000 1.233 300 W CA -1.456 55.893 57.345 0.006 0.000 1.187 300 W CB -0.209 29.196 29.460 -0.092 0.000 1.443 300 W HN 0.248 nan 8.180 nan 0.000 0.573 301 F N -0.075 120.087 119.950 0.353 0.000 2.611 301 F HA 0.918 5.445 4.527 -0.000 0.000 0.324 301 F C -0.443 175.419 175.800 0.103 0.000 1.061 301 F CA -1.735 56.372 58.000 0.179 0.000 0.954 301 F CB 1.566 40.598 39.000 0.054 0.000 1.301 301 F HN 0.287 nan 8.300 nan 0.000 0.482 302 S N 0.504 116.335 115.700 0.219 0.000 2.489 302 S HA 0.684 5.153 4.470 -0.000 0.000 0.291 302 S C -0.641 174.019 174.600 0.099 0.000 1.151 302 S CA -0.605 57.608 58.200 0.022 0.000 1.082 302 S CB 1.468 64.656 63.200 -0.021 0.000 1.019 302 S HN 0.889 nan 8.310 nan 0.000 0.492 303 T N 1.425 115.992 114.554 0.021 0.000 3.193 303 T HA 0.515 4.865 4.350 -0.000 0.000 0.332 303 T C -0.167 174.569 174.700 0.059 0.000 1.208 303 T CA -0.541 61.613 62.100 0.090 0.000 1.080 303 T CB 0.864 69.862 68.868 0.216 0.000 1.180 303 T HN 0.740 nan 8.240 nan 0.000 0.469 304 G N 3.642 112.481 108.800 0.065 0.000 2.428 304 G HA2 0.516 4.475 3.960 -0.000 0.000 0.293 304 G HA3 0.516 4.475 3.960 -0.000 0.000 0.293 304 G C 0.247 175.213 174.900 0.111 0.000 1.059 304 G CA 0.134 45.273 45.100 0.065 0.000 1.194 304 G HN 1.094 nan 8.290 nan 0.000 0.435 305 V N 1.020 121.029 119.914 0.157 0.000 3.181 305 V HA 0.642 4.762 4.120 -0.000 0.000 0.314 305 V C -0.229 176.061 176.094 0.327 0.000 1.173 305 V CA -1.970 60.439 62.300 0.183 0.000 1.052 305 V CB 1.175 33.065 31.823 0.111 0.000 1.123 305 V HN 0.463 nan 8.190 nan 0.000 0.454 306 Y N 1.588 122.005 120.300 0.196 0.000 2.610 306 Y HA 0.270 4.820 4.550 -0.000 0.000 0.332 306 Y C 1.901 177.956 175.900 0.259 0.000 1.201 306 Y CA 0.668 58.875 58.100 0.179 0.000 1.465 306 Y CB 1.351 39.889 38.460 0.130 0.000 1.283 306 Y HN 0.970 nan 8.280 nan 0.000 0.563 307 T N 0.486 114.911 114.554 -0.215 0.000 2.985 307 T HA -0.044 4.306 4.350 -0.000 0.000 0.266 307 T C 0.453 175.039 174.700 -0.190 0.000 1.076 307 T CA 0.252 62.248 62.100 -0.174 0.000 1.135 307 T CB -0.369 68.355 68.868 -0.240 0.000 0.890 307 T HN 0.486 nan 8.240 nan 0.000 0.480 308 N N 2.308 120.812 118.700 -0.327 0.000 2.374 308 N HA 0.377 5.117 4.740 -0.000 0.000 0.269 308 N C 1.352 176.894 175.510 0.053 0.000 1.310 308 N CA 1.250 54.226 53.050 -0.123 0.000 0.877 308 N CB 0.145 38.606 38.487 -0.044 0.000 1.096 308 N HN 0.611 nan 8.380 nan 0.000 0.484 309 G N 1.725 110.527 108.800 0.004 0.000 2.218 309 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.216 309 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.216 309 G C 0.112 175.010 174.900 -0.002 0.000 0.994 309 G CA 0.008 45.141 45.100 0.055 0.000 0.637 309 G HN 0.868 nan 8.290 nan 0.000 0.505 310 N N 1.437 120.030 118.700 -0.177 0.000 2.454 310 N HA 0.456 5.196 4.740 -0.000 0.000 0.254 310 N C -0.772 174.434 175.510 -0.506 0.000 1.228 310 N CA -0.382 52.312 53.050 -0.592 0.000 0.900 310 N CB 1.184 39.255 38.487 -0.694 0.000 1.089 310 N HN 0.167 nan 8.380 nan 0.000 0.449 311 P HA 0.040 nan 4.420 nan 0.000 0.261 311 P C -0.147 176.879 177.300 -0.456 0.000 1.268 311 P CA 0.339 63.144 63.100 -0.492 0.000 0.833 311 P CB 0.061 31.521 31.700 -0.400 0.000 1.231 312 Y N 0.499 120.699 120.300 -0.166 0.000 2.395 312 Y HA 0.283 4.833 4.550 -0.000 0.000 0.293 312 Y C 2.202 177.903 175.900 -0.332 0.000 1.123 312 Y CA 0.840 58.804 58.100 -0.228 0.000 1.227 312 Y CB -0.910 37.431 38.460 -0.198 0.000 1.012 312 Y HN 0.134 nan 8.280 nan 0.000 0.552 313 G N -0.141 108.540 108.800 -0.199 0.000 2.184 313 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.206 313 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.206 313 G C 0.164 174.907 174.900 -0.263 0.000 0.995 313 G CA -0.137 44.829 45.100 -0.223 0.000 0.651 313 G HN 0.230 nan 8.290 nan 0.000 0.511 314 I N 1.950 122.342 120.570 -0.297 0.000 2.813 314 I HA 0.390 4.560 4.170 -0.000 0.000 0.287 314 I C 1.440 177.345 176.117 -0.353 0.000 1.196 314 I CA 0.071 61.112 61.300 -0.432 0.000 1.421 314 I CB 0.822 38.462 38.000 -0.600 0.000 1.365 314 I HN 0.354 nan 8.210 nan 0.000 0.591 315 A N 6.099 128.711 122.820 -0.345 0.000 2.466 315 A HA 0.135 4.455 4.320 -0.000 0.000 0.238 315 A C 0.326 177.768 177.584 -0.238 0.000 1.074 315 A CA -0.182 51.710 52.037 -0.242 0.000 0.774 315 A CB 0.097 18.985 19.000 -0.188 0.000 1.015 315 A HN 0.790 nan 8.150 nan 0.000 0.498 316 E N -0.327 119.753 120.200 -0.200 0.000 2.322 316 E HA 0.267 4.617 4.350 -0.000 0.000 0.257 316 E C -0.557 175.906 176.600 -0.227 0.000 1.155 316 E CA -0.299 55.959 56.400 -0.237 0.000 0.936 316 E CB 0.356 29.944 29.700 -0.187 0.000 1.130 316 E HN 0.680 nan 8.360 nan 0.000 0.465 317 D N -0.199 119.995 120.400 -0.344 0.000 2.870 317 D HA -0.169 4.471 4.640 -0.000 0.000 0.228 317 D C -0.976 175.278 176.300 -0.077 0.000 1.147 317 D CA 1.004 54.894 54.000 -0.183 0.000 0.757 317 D CB -1.308 39.475 40.800 -0.028 0.000 1.091 317 D HN 0.458 nan 8.370 nan 0.000 0.429 318 I N -5.499 114.973 120.570 -0.163 0.000 3.279 318 I HA 0.653 4.823 4.170 -0.000 0.000 0.315 318 I C -0.612 175.560 176.117 0.093 0.000 1.225 318 I CA -1.293 60.023 61.300 0.027 0.000 0.947 318 I CB 2.096 40.127 38.000 0.053 0.000 1.293 318 I HN -0.263 nan 8.210 nan 0.000 0.468 319 V N 2.522 122.539 119.914 0.171 0.000 2.328 319 V HA 0.448 4.568 4.120 -0.000 0.000 0.278 319 V C -1.174 175.057 176.094 0.229 0.000 1.021 319 V CA -0.171 62.252 62.300 0.204 0.000 0.838 319 V CB 0.977 32.896 31.823 0.159 0.000 0.999 319 V HN 0.529 nan 8.190 nan 0.000 0.447 320 F N 3.730 123.718 119.950 0.063 0.000 2.507 320 F HA 0.497 5.024 4.527 -0.000 0.000 0.328 320 F C 0.535 176.371 175.800 0.059 0.000 1.136 320 F CA -0.246 57.789 58.000 0.058 0.000 0.930 320 F CB 1.987 41.016 39.000 0.047 0.000 1.166 320 F HN 0.450 nan 8.300 nan 0.000 0.436 321 S N 7.509 123.136 115.700 -0.121 0.000 2.549 321 S HA 0.612 5.082 4.470 -0.000 0.000 0.286 321 S C -0.329 174.186 174.600 -0.141 0.000 1.314 321 S CA -0.117 58.020 58.200 -0.105 0.000 1.062 321 S CB -0.036 63.059 63.200 -0.175 0.000 0.865 321 S HN 0.692 nan 8.310 nan 0.000 0.498 322 M N 2.961 122.423 119.600 -0.229 0.000 2.732 322 M HA 0.510 4.990 4.480 -0.000 0.000 0.272 322 M C -3.132 172.841 176.300 -0.545 0.000 1.203 322 M CA -2.089 52.851 55.300 -0.599 0.000 0.841 322 M CB 1.755 34.167 32.600 -0.312 0.000 1.685 322 M HN 0.264 nan 8.290 nan 0.000 0.492 323 P HA 0.252 nan 4.420 nan 0.000 0.267 323 P C -0.990 176.061 177.300 -0.416 0.000 1.209 323 P CA 0.062 62.676 63.100 -0.810 0.000 0.763 323 P CB 0.505 31.346 31.700 -1.432 0.000 0.816 324 C N 4.147 123.125 119.300 -0.537 0.000 2.994 324 C HA 0.727 5.187 4.460 -0.000 0.000 0.304 324 C C 0.248 174.811 174.990 -0.713 0.000 1.273 324 C CA -0.618 58.097 59.018 -0.505 0.000 1.537 324 C CB 2.519 29.892 27.740 -0.612 0.000 2.001 324 C HN 0.682 nan 8.230 nan 0.000 0.471 325 R N 0.597 120.962 120.500 -0.225 0.000 2.837 325 R HA 0.908 5.248 4.340 -0.000 0.000 0.271 325 R C -1.035 175.436 176.300 0.285 0.000 0.993 325 R CA -0.200 55.952 56.100 0.088 0.000 0.931 325 R CB 1.862 32.261 30.300 0.163 0.000 1.206 325 R HN 0.678 nan 8.270 nan 0.000 0.474 326 S N -0.927 115.023 115.700 0.416 0.000 2.618 326 S HA 0.557 5.026 4.470 -0.000 0.000 0.277 326 S C -0.128 174.595 174.600 0.206 0.000 1.138 326 S CA -0.072 58.326 58.200 0.330 0.000 0.844 326 S CB 1.849 65.297 63.200 0.413 0.000 1.127 326 S HN 0.797 nan 8.310 nan 0.000 0.474 327 K N 0.352 120.841 120.400 0.148 0.000 2.374 327 K HA 0.490 4.810 4.320 -0.000 0.000 0.196 327 K C 1.192 177.847 176.600 0.092 0.000 1.023 327 K CA 0.619 56.968 56.287 0.103 0.000 1.103 327 K CB -0.654 31.892 32.500 0.077 0.000 0.848 327 K HN 2.132 nan 8.250 nan 0.000 0.528 328 G N 2.021 110.886 108.800 0.108 0.000 2.142 328 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.225 328 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.225 328 G C 0.178 175.138 174.900 0.101 0.000 1.015 328 G CA 0.459 45.611 45.100 0.087 0.000 0.716 328 G HN 0.761 nan 8.290 nan 0.000 0.508 329 D N -1.401 119.066 120.400 0.112 0.000 2.431 329 D HA 0.437 5.077 4.640 -0.000 0.000 0.213 329 D C 1.756 178.129 176.300 0.121 0.000 1.130 329 D CA 0.588 54.649 54.000 0.101 0.000 0.834 329 D CB -0.125 40.714 40.800 0.065 0.000 0.985 329 D HN 1.469 nan 8.370 nan 0.000 0.504 330 G N -0.193 108.713 108.800 0.177 0.000 2.279 330 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.223 330 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.223 330 G C 0.025 175.045 174.900 0.200 0.000 1.015 330 G CA 0.090 45.306 45.100 0.194 0.000 0.621 330 G HN 0.385 nan 8.290 nan 0.000 0.506 331 D N -0.294 120.203 120.400 0.162 0.000 2.511 331 D HA 0.723 5.363 4.640 -0.000 0.000 0.276 331 D C 0.350 176.826 176.300 0.293 0.000 1.220 331 D CA 0.715 54.799 54.000 0.141 0.000 1.077 331 D CB 0.665 41.443 40.800 -0.037 0.000 1.126 331 D HN 0.733 nan 8.370 nan 0.000 0.583 332 Y N -2.675 117.671 120.300 0.076 0.000 2.779 332 Y HA 0.498 5.048 4.550 -0.000 0.000 0.340 332 Y C -1.669 174.177 175.900 -0.090 0.000 1.252 332 Y CA -1.228 56.914 58.100 0.069 0.000 1.072 332 Y CB 0.880 39.443 38.460 0.171 0.000 1.343 332 Y HN 0.381 nan 8.280 nan 0.000 0.450 333 E N 0.823 121.028 120.200 0.008 0.000 2.356 333 E HA 0.537 4.886 4.350 -0.000 0.000 0.275 333 E C -1.914 174.658 176.600 -0.047 0.000 0.904 333 E CA -0.946 55.362 56.400 -0.153 0.000 0.757 333 E CB 2.149 31.811 29.700 -0.063 0.000 1.232 333 E HN 0.373 nan 8.360 nan 0.000 0.442 334 F N 1.025 121.043 119.950 0.114 0.000 2.506 334 F HA 0.153 4.680 4.527 -0.000 0.000 0.351 334 F C 0.489 176.323 175.800 0.057 0.000 1.136 334 F CA -0.580 57.479 58.000 0.098 0.000 1.298 334 F CB 0.777 39.825 39.000 0.081 0.000 1.145 334 F HN 0.228 nan 8.300 nan 0.000 0.593 335 V N 4.710 124.761 119.914 0.228 0.000 2.432 335 V HA 0.100 4.219 4.120 -0.000 0.000 0.271 335 V C 0.991 177.196 176.094 0.185 0.000 1.046 335 V CA -0.479 61.879 62.300 0.096 0.000 0.945 335 V CB 0.987 32.706 31.823 -0.172 0.000 0.992 335 V HN 0.735 nan 8.190 nan 0.000 0.471 336 K N 2.201 122.700 120.400 0.165 0.000 2.211 336 K HA 0.001 4.321 4.320 -0.000 0.000 0.201 336 K C 0.557 177.257 176.600 0.167 0.000 1.052 336 K CA 0.471 56.858 56.287 0.167 0.000 0.973 336 K CB 0.171 32.734 32.500 0.105 0.000 0.766 336 K HN 0.703 nan 8.250 nan 0.000 0.466 337 D N 1.694 122.185 120.400 0.152 0.000 2.498 337 D HA 0.090 4.730 4.640 -0.000 0.000 0.229 337 D C -1.445 174.947 176.300 0.154 0.000 1.188 337 D CA 0.010 54.102 54.000 0.153 0.000 1.028 337 D CB 0.186 41.084 40.800 0.164 0.000 1.087 337 D HN -0.271 nan 8.370 nan 0.000 0.510 338 V N 4.094 124.072 119.914 0.106 0.000 3.012 338 V HA 0.485 4.605 4.120 -0.000 0.000 0.307 338 V C -0.532 175.501 176.094 -0.102 0.000 1.166 338 V CA -0.897 61.399 62.300 -0.006 0.000 0.974 338 V CB 2.033 33.792 31.823 -0.106 0.000 1.040 338 V HN 0.410 nan 8.190 nan 0.000 0.428 339 I N 1.117 121.527 120.570 -0.266 0.000 2.863 339 I HA 0.803 4.972 4.170 -0.000 0.000 0.311 339 I C -1.555 174.188 176.117 -0.623 0.000 1.026 339 I CA -0.566 60.589 61.300 -0.243 0.000 1.077 339 I CB 2.251 40.203 38.000 -0.079 0.000 1.262 339 I HN 0.466 nan 8.210 nan 0.000 0.461 340 F N 1.319 121.237 119.950 -0.052 0.000 2.613 340 F HA 0.539 5.066 4.527 -0.000 0.000 0.310 340 F C -0.730 175.028 175.800 -0.071 0.000 1.085 340 F CA -0.493 57.439 58.000 -0.114 0.000 0.945 340 F CB 1.919 40.808 39.000 -0.185 0.000 1.298 340 F HN 0.695 nan 8.300 nan 0.000 0.455 341 D N -0.636 119.835 120.400 0.118 0.000 2.592 341 D HA 0.246 4.886 4.640 -0.000 0.000 0.263 341 D C 0.131 176.475 176.300 0.074 0.000 1.132 341 D CA -0.532 53.518 54.000 0.084 0.000 0.996 341 D CB 0.957 41.803 40.800 0.078 0.000 1.442 341 D HN 0.431 nan 8.370 nan 0.000 0.486 342 D N -0.935 119.508 120.400 0.071 0.000 2.154 342 D HA -0.260 4.380 4.640 -0.000 0.000 0.190 342 D C 1.532 177.878 176.300 0.076 0.000 1.003 342 D CA 1.819 55.854 54.000 0.059 0.000 0.849 342 D CB -0.383 40.461 40.800 0.072 0.000 0.942 342 D HN 0.451 nan 8.370 nan 0.000 0.446 343 Y N 0.807 121.112 120.300 0.008 0.000 2.049 343 Y HA -0.203 4.347 4.550 -0.000 0.000 0.277 343 Y C 2.289 178.175 175.900 -0.025 0.000 1.143 343 Y CA 1.550 59.658 58.100 0.013 0.000 1.115 343 Y CB -0.782 37.713 38.460 0.059 0.000 0.975 343 Y HN 0.031 nan 8.280 nan 0.000 0.487 344 L N -0.890 120.286 121.223 -0.078 0.000 1.990 344 L HA -0.314 4.026 4.340 -0.000 0.000 0.213 344 L C 2.816 179.559 176.870 -0.211 0.000 1.072 344 L CA 2.101 56.826 54.840 -0.193 0.000 0.755 344 L CB -0.921 41.103 42.059 -0.057 0.000 0.889 344 L HN 0.376 nan 8.230 nan 0.000 0.432 345 S N -0.418 115.204 115.700 -0.132 0.000 2.365 345 S HA -0.264 4.206 4.470 -0.000 0.000 0.225 345 S C 1.919 176.395 174.600 -0.207 0.000 1.039 345 S CA 1.800 59.873 58.200 -0.212 0.000 1.033 345 S CB -0.065 63.044 63.200 -0.151 0.000 0.887 345 S HN 0.365 nan 8.310 nan 0.000 0.447 346 K N -0.042 120.260 120.400 -0.164 0.000 2.155 346 K HA 0.010 4.330 4.320 -0.000 0.000 0.203 346 K C 2.293 178.792 176.600 -0.168 0.000 1.052 346 K CA 1.066 57.267 56.287 -0.142 0.000 0.948 346 K CB -0.097 32.347 32.500 -0.093 0.000 0.728 346 K HN 0.119 nan 8.250 nan 0.000 0.448 347 K N 1.206 121.453 120.400 -0.254 0.000 2.057 347 K HA 0.020 4.339 4.320 -0.000 0.000 0.206 347 K C 1.790 178.306 176.600 -0.141 0.000 1.050 347 K CA 0.974 57.112 56.287 -0.248 0.000 0.935 347 K CB -0.066 32.179 32.500 -0.424 0.000 0.715 347 K HN 0.051 nan 8.250 nan 0.000 0.439 348 I N 0.341 120.818 120.570 -0.156 0.000 2.179 348 I HA -0.288 3.882 4.170 -0.000 0.000 0.242 348 I C 2.077 178.223 176.117 0.047 0.000 1.088 348 I CA 1.113 62.396 61.300 -0.028 0.000 1.357 348 I CB -0.196 37.666 38.000 -0.230 0.000 1.051 348 I HN 0.083 nan 8.210 nan 0.000 0.409 349 K N 1.584 121.932 120.400 -0.087 0.000 2.147 349 K HA -0.166 4.154 4.320 -0.000 0.000 0.205 349 K C 1.924 178.508 176.600 -0.026 0.000 1.049 349 K CA 1.531 57.768 56.287 -0.083 0.000 0.936 349 K CB -0.066 32.360 32.500 -0.123 0.000 0.722 349 K HN 0.167 nan 8.250 nan 0.000 0.446 350 K N -0.719 119.664 120.400 -0.028 0.000 2.217 350 K HA -0.023 4.297 4.320 -0.000 0.000 0.202 350 K C 2.173 178.784 176.600 0.019 0.000 1.051 350 K CA 1.114 57.391 56.287 -0.017 0.000 0.952 350 K CB -0.029 32.447 32.500 -0.041 0.000 0.736 350 K HN 0.067 nan 8.250 nan 0.000 0.453 351 S N 1.085 116.821 115.700 0.059 0.000 2.377 351 S HA -0.146 4.324 4.470 -0.000 0.000 0.223 351 S C 1.920 176.631 174.600 0.185 0.000 1.030 351 S CA 1.002 59.246 58.200 0.073 0.000 0.970 351 S CB -0.009 63.200 63.200 0.015 0.000 0.830 351 S HN 0.321 nan 8.310 nan 0.000 0.473 352 E N 0.564 120.959 120.200 0.326 0.000 2.097 352 E HA -0.231 4.119 4.350 -0.000 0.000 0.196 352 E C 1.302 177.964 176.600 0.105 0.000 1.000 352 E CA 1.771 58.339 56.400 0.280 0.000 0.804 352 E CB -0.227 29.484 29.700 0.019 0.000 0.740 352 E HN 0.452 nan 8.360 nan 0.000 0.454 353 D N 0.467 120.897 120.400 0.050 0.000 2.104 353 D HA -0.222 4.418 4.640 -0.000 0.000 0.194 353 D C 1.798 178.115 176.300 0.029 0.000 0.994 353 D CA 1.353 55.365 54.000 0.019 0.000 0.830 353 D CB -0.395 40.406 40.800 0.002 0.000 0.959 353 D HN 0.409 nan 8.370 nan 0.000 0.452 354 E N 0.456 120.678 120.200 0.036 0.000 2.023 354 E HA -0.173 4.177 4.350 -0.000 0.000 0.196 354 E C 2.417 179.042 176.600 0.040 0.000 1.003 354 E CA 0.700 57.117 56.400 0.028 0.000 0.809 354 E CB -0.236 29.474 29.700 0.017 0.000 0.755 354 E HN 0.175 nan 8.360 nan 0.000 0.449 355 L N 0.646 121.910 121.223 0.069 0.000 2.021 355 L HA -0.274 4.066 4.340 -0.000 0.000 0.215 355 L C 2.704 179.610 176.870 0.060 0.000 1.074 355 L CA 1.284 56.172 54.840 0.081 0.000 0.760 355 L CB -0.460 41.694 42.059 0.159 0.000 0.889 355 L HN 0.325 nan 8.230 nan 0.000 0.433 356 L N -0.920 120.333 121.223 0.050 0.000 2.191 356 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 356 L C 2.722 179.605 176.870 0.023 0.000 1.103 356 L CA 0.914 55.769 54.840 0.026 0.000 0.769 356 L CB -0.661 41.401 42.059 0.006 0.000 0.908 356 L HN 0.275 nan 8.230 nan 0.000 0.438 357 A N -0.186 122.648 122.820 0.024 0.000 1.930 357 A HA -0.135 4.185 4.320 -0.000 0.000 0.215 357 A C 2.166 179.766 177.584 0.028 0.000 1.176 357 A CA 0.965 53.015 52.037 0.021 0.000 0.632 357 A CB -0.213 18.797 19.000 0.016 0.000 0.819 357 A HN 0.395 nan 8.150 nan 0.000 0.445 358 E N -0.081 120.137 120.200 0.031 0.000 2.072 358 E HA -0.210 4.140 4.350 -0.000 0.000 0.191 358 E C 2.023 178.647 176.600 0.039 0.000 0.985 358 E CA 1.265 57.685 56.400 0.034 0.000 0.801 358 E CB -0.180 29.538 29.700 0.029 0.000 0.750 358 E HN 0.638 nan 8.360 nan 0.000 0.452 359 K N 1.640 122.062 120.400 0.037 0.000 2.034 359 K HA -0.249 4.071 4.320 -0.000 0.000 0.214 359 K C 2.009 178.634 176.600 0.042 0.000 1.051 359 K CA 1.766 58.075 56.287 0.036 0.000 0.931 359 K CB 0.021 32.541 32.500 0.033 0.000 0.715 359 K HN -0.074 nan 8.250 nan 0.000 0.446 360 K N -0.008 120.415 120.400 0.038 0.000 2.097 360 K HA -0.150 4.169 4.320 -0.000 0.000 0.206 360 K C 2.280 178.917 176.600 0.063 0.000 1.049 360 K CA 1.311 57.624 56.287 0.042 0.000 0.933 360 K CB -0.299 32.218 32.500 0.028 0.000 0.717 360 K HN 0.309 nan 8.250 nan 0.000 0.442 361 c N 0.533 119.170 118.600 0.062 0.000 2.437 361 c HA 0.017 4.587 4.570 -0.000 0.000 0.283 361 c C 1.790 175.972 174.090 0.154 0.000 1.424 361 c CA 0.374 56.752 56.329 0.082 0.000 1.782 361 c CB -0.410 42.137 42.510 0.062 0.000 1.833 361 c HN 0.234 nan 8.230 nan 0.000 0.532 362 V N 0.899 120.890 119.914 0.128 0.000 3.085 362 V HA 0.408 4.528 4.120 -0.000 0.000 0.345 362 V C 1.821 177.960 176.094 0.074 0.000 1.397 362 V CA 0.795 63.162 62.300 0.111 0.000 1.165 362 V CB -0.114 31.727 31.823 0.030 0.000 1.153 362 V HN 0.521 nan 8.190 nan 0.000 0.495 363 A N 0.126 123.036 122.820 0.149 0.000 2.019 363 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 363 A C 1.842 179.495 177.584 0.115 0.000 1.164 363 A CA 1.871 53.971 52.037 0.105 0.000 0.644 363 A CB -0.520 18.536 19.000 0.094 0.000 0.805 363 A HN 0.881 nan 8.150 nan 0.000 0.449 364 H N -1.285 117.797 119.070 0.020 0.000 2.547 364 H HA 0.301 4.856 4.556 -0.000 0.000 0.266 364 H C 0.851 176.195 175.328 0.027 0.000 0.988 364 H CA 0.654 56.715 56.048 0.022 0.000 1.147 364 H CB -0.369 29.406 29.762 0.022 0.000 1.365 364 H HN 0.470 nan 8.280 nan 0.000 0.589 365 L N -0.414 120.619 121.223 -0.317 0.000 3.217 365 L HA 0.157 4.496 4.340 -0.000 0.000 0.288 365 L C 1.543 178.349 176.870 -0.106 0.000 1.202 365 L CA 0.377 55.068 54.840 -0.249 0.000 1.027 365 L CB 0.898 42.748 42.059 -0.349 0.000 1.427 365 L HN 0.095 nan 8.230 nan 0.000 0.600 366 T N -1.031 113.481 114.554 -0.069 0.000 2.985 366 T HA 0.243 4.593 4.350 -0.000 0.000 0.254 366 T C 1.276 175.965 174.700 -0.018 0.000 1.021 366 T CA 0.794 62.872 62.100 -0.036 0.000 0.957 366 T CB 0.258 69.115 68.868 -0.019 0.000 1.047 366 T HN 0.456 nan 8.240 nan 0.000 0.511 367 G N 1.706 110.502 108.800 -0.006 0.000 2.137 367 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.237 367 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.237 367 G C 0.398 175.306 174.900 0.014 0.000 1.002 367 G CA 0.679 45.783 45.100 0.006 0.000 0.702 367 G HN 0.583 nan 8.290 nan 0.000 0.515 368 E N -0.820 119.393 120.200 0.022 0.000 2.201 368 E HA 0.454 4.803 4.350 -0.000 0.000 0.193 368 E C 1.517 178.136 176.600 0.031 0.000 0.957 368 E CA 1.459 57.874 56.400 0.025 0.000 0.858 368 E CB 0.280 29.997 29.700 0.028 0.000 0.816 368 E HN 1.369 nan 8.360 nan 0.000 0.475 369 G N 0.094 108.921 108.800 0.046 0.000 2.403 369 G HA2 0.053 4.012 3.960 -0.000 0.000 0.223 369 G HA3 0.053 4.012 3.960 -0.000 0.000 0.223 369 G C -1.479 173.460 174.900 0.065 0.000 1.287 369 G CA -0.562 44.566 45.100 0.047 0.000 0.982 369 G HN 0.044 nan 8.290 nan 0.000 0.471 370 I N 2.449 123.046 120.570 0.044 0.000 2.533 370 I HA 0.514 4.683 4.170 -0.000 0.000 0.284 370 I C 1.335 177.473 176.117 0.035 0.000 1.109 370 I CA 0.437 61.757 61.300 0.033 0.000 1.412 370 I CB 1.008 39.015 38.000 0.011 0.000 1.396 370 I HN 0.885 nan 8.210 nan 0.000 0.543 371 A N 6.418 129.252 122.820 0.022 0.000 2.462 371 A HA 0.520 4.840 4.320 -0.000 0.000 0.243 371 A C -0.366 177.216 177.584 -0.003 0.000 1.076 371 A CA -0.236 51.819 52.037 0.030 0.000 0.773 371 A CB 0.299 19.285 19.000 -0.024 0.000 1.010 371 A HN 0.483 nan 8.150 nan 0.000 0.493 372 V N 2.657 122.581 119.914 0.017 0.000 2.445 372 V HA 0.177 4.297 4.120 -0.000 0.000 0.283 372 V C -0.600 175.501 176.094 0.012 0.000 1.014 372 V CA -0.591 61.712 62.300 0.006 0.000 0.852 372 V CB 0.829 32.657 31.823 0.008 0.000 1.021 372 V HN 0.994 nan 8.190 nan 0.000 0.435 373 c N 3.211 121.815 118.600 0.005 0.000 2.307 373 c HA 0.633 5.203 4.570 -0.000 0.000 0.340 373 c C 0.439 174.534 174.090 0.008 0.000 1.275 373 c CA -0.246 56.090 56.329 0.012 0.000 1.811 373 c CB 0.481 42.999 42.510 0.012 0.000 2.372 373 c HN 0.916 nan 8.230 nan 0.000 0.531 374 D N 2.890 123.296 120.400 0.010 0.000 2.846 374 D HA 0.387 5.027 4.640 -0.000 0.000 0.279 374 D C -0.703 175.601 176.300 0.008 0.000 1.222 374 D CA -0.028 53.976 54.000 0.006 0.000 0.769 374 D CB -0.073 40.729 40.800 0.004 0.000 1.299 374 D HN 0.476 nan 8.370 nan 0.000 0.537 375 L N 1.343 122.571 121.223 0.009 0.000 2.330 375 L HA 0.677 5.017 4.340 -0.000 0.000 0.271 375 L C -1.958 174.915 176.870 0.005 0.000 1.013 375 L CA -1.930 52.915 54.840 0.009 0.000 0.816 375 L CB 2.021 44.088 42.059 0.013 0.000 1.287 375 L HN 0.105 nan 8.230 nan 0.000 0.435 376 P HA 0.181 nan 4.420 nan 0.000 0.286 376 P C -0.652 176.648 177.300 -0.000 0.000 1.321 376 P CA -0.425 62.675 63.100 -0.001 0.000 0.790 376 P CB 1.152 32.849 31.700 -0.004 0.000 0.897 377 E N 1.474 121.675 120.200 0.001 0.000 2.357 377 E HA -0.061 4.288 4.350 -0.000 0.000 0.194 377 E C 0.742 177.342 176.600 -0.000 0.000 1.177 377 E CA 0.501 56.902 56.400 0.003 0.000 0.998 377 E CB -0.264 29.439 29.700 0.006 0.000 1.106 377 E HN 0.495 nan 8.360 nan 0.000 0.470 378 D N -2.593 117.804 120.400 -0.006 0.000 2.520 378 D HA -0.047 4.593 4.640 -0.000 0.000 0.223 378 D C 0.959 177.247 176.300 -0.019 0.000 1.186 378 D CA 0.283 54.277 54.000 -0.010 0.000 0.821 378 D CB 0.117 40.911 40.800 -0.010 0.000 1.072 378 D HN 0.121 nan 8.370 nan 0.000 0.518 379 T N -1.703 112.837 114.554 -0.022 0.000 3.088 379 T HA 0.119 4.469 4.350 -0.000 0.000 0.259 379 T C 1.118 175.787 174.700 -0.052 0.000 1.122 379 T CA -0.307 61.771 62.100 -0.037 0.000 1.095 379 T CB -0.080 68.767 68.868 -0.035 0.000 0.930 379 T HN 0.066 nan 8.240 nan 0.000 0.508 380 M N 2.567 122.145 119.600 -0.037 0.000 2.268 380 M HA 0.236 4.716 4.480 -0.000 0.000 0.349 380 M C -0.735 175.529 176.300 -0.060 0.000 1.485 380 M CA -0.696 54.578 55.300 -0.042 0.000 1.094 380 M CB 0.172 32.766 32.600 -0.011 0.000 1.843 380 M HN 0.004 nan 8.290 nan 0.000 0.460 381 L N 8.669 129.828 121.223 -0.107 0.000 2.578 381 L HA 0.087 4.427 4.340 -0.000 0.000 0.279 381 L C -1.959 174.875 176.870 -0.060 0.000 1.227 381 L CA -0.900 53.869 54.840 -0.117 0.000 0.900 381 L CB -0.498 41.435 42.059 -0.210 0.000 1.144 381 L HN 0.568 nan 8.230 nan 0.000 0.496 382 P HA 0.211 nan 4.420 nan 0.000 0.265 382 P C 0.656 177.948 177.300 -0.013 0.000 1.193 382 P CA 0.932 64.017 63.100 -0.024 0.000 0.765 382 P CB 0.626 32.309 31.700 -0.029 0.000 0.823 383 G N 1.500 110.304 108.800 0.006 0.000 2.195 383 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.246 383 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.246 383 G C 0.064 174.980 174.900 0.028 0.000 0.984 383 G CA -0.293 44.818 45.100 0.018 0.000 0.633 383 G HN 0.549 nan 8.290 nan 0.000 0.525 384 E N 0.867 121.083 120.200 0.027 0.000 2.249 384 E HA 0.576 4.926 4.350 -0.000 0.000 0.280 384 E C 1.032 177.659 176.600 0.045 0.000 1.016 384 E CA -0.762 55.664 56.400 0.044 0.000 0.830 384 E CB 0.604 30.338 29.700 0.058 0.000 1.081 384 E HN 0.164 nan 8.360 nan 0.000 0.395 385 M N 0.000 119.630 119.600 0.050 0.000 2.572 385 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 385 M CA 0.000 55.330 55.300 0.050 0.000 0.988 385 M CB 0.000 32.631 32.600 0.051 0.000 1.302 385 M HN 0.000 nan 8.290 nan 0.000 0.411