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 2zyq_1_B DATA FIRST_RESID 2 DATA SEQUENCE SIRSLGYLRI EATDMAAWRE YGLKVLGMVE GKGAPEGALY LRMDDFPARL DATA SEQUENCE VVVPGEHDRL LEAGWECANA EGLQEIRNRL DLEGTPYKEA TAAELADRRV DATA SEQUENCE DEMIRFADPS GNCLEVFHGT ALEHRRVVSP YGHRFVTGEQ GMGHVVLSTR DATA SEQUENCE DDAEALHFYR DVLGFRLRDS MRLPPQMVGR PADGPPAWLR FFGCNPRHHS DATA SEQUENCE LAFLPMPTSS GIVHLMVEVE QADDVGLCLD RALRRKVPMS ATLGRHVNDL DATA SEQUENCE MLSFYMKTPG GFDIEFGCEG RQVDDRDWIA RESTAVSLWG HDFTVG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.485 174.600 -0.191 0.000 1.055 2 S CA 0.000 58.089 58.200 -0.185 0.000 1.107 2 S CB 0.000 63.092 63.200 -0.179 0.000 0.593 3 I N 0.850 121.260 120.570 -0.267 0.000 2.474 3 I HA 0.631 4.801 4.170 0.000 0.000 0.287 3 I C 0.983 176.963 176.117 -0.228 0.000 1.048 3 I CA -0.272 60.884 61.300 -0.240 0.000 1.383 3 I CB 0.823 38.672 38.000 -0.252 0.000 1.412 3 I HN 0.696 nan 8.210 nan 0.000 0.531 4 R N 4.219 124.647 120.500 -0.120 0.000 2.195 4 R HA 0.294 4.634 4.340 0.000 0.000 0.197 4 R C 0.159 176.453 176.300 -0.010 0.000 0.990 4 R CA 0.803 56.855 56.100 -0.080 0.000 1.048 4 R CB -0.640 29.625 30.300 -0.058 0.000 0.997 4 R HN 0.871 nan 8.270 nan 0.000 0.502 5 S N -0.707 115.030 115.700 0.062 0.000 2.595 5 S HA 0.267 4.737 4.470 0.000 0.000 0.270 5 S C -1.237 173.449 174.600 0.144 0.000 1.145 5 S CA -1.043 57.227 58.200 0.117 0.000 0.825 5 S CB 0.930 64.138 63.200 0.012 0.000 1.107 5 S HN 0.016 nan 8.310 nan 0.000 0.461 6 L N 2.755 123.973 121.223 -0.009 0.000 2.433 6 L HA 0.614 4.955 4.340 0.000 0.000 0.275 6 L C 1.165 177.795 176.870 -0.399 0.000 1.128 6 L CA 1.224 55.742 54.840 -0.536 0.000 0.875 6 L CB 0.316 42.021 42.059 -0.589 0.000 1.171 6 L HN 1.027 nan 8.230 nan 0.000 0.463 7 G N 4.768 113.343 108.800 -0.376 0.000 2.447 7 G HA2 0.049 4.010 3.960 0.000 0.000 0.211 7 G HA3 0.049 4.010 3.960 0.000 0.000 0.211 7 G C -0.356 174.438 174.900 -0.177 0.000 1.184 7 G CA 0.899 45.920 45.100 -0.132 0.000 0.813 7 G HN 0.699 nan 8.290 nan 0.000 0.540 8 Y N -2.730 117.460 120.300 -0.184 0.000 2.638 8 Y HA 0.763 5.313 4.550 0.000 0.000 0.335 8 Y C -1.843 173.909 175.900 -0.246 0.000 1.155 8 Y CA -2.169 55.807 58.100 -0.206 0.000 1.046 8 Y CB 1.191 39.568 38.460 -0.138 0.000 1.303 8 Y HN 0.028 nan 8.280 nan 0.000 0.460 9 L N 2.502 123.754 121.223 0.049 0.000 2.409 9 L HA 0.650 4.990 4.340 0.000 0.000 0.272 9 L C -1.059 175.819 176.870 0.013 0.000 0.980 9 L CA -0.786 54.036 54.840 -0.030 0.000 0.826 9 L CB 1.949 43.940 42.059 -0.113 0.000 1.268 9 L HN 0.778 nan 8.230 nan 0.000 0.407 10 R N 5.815 126.332 120.500 0.029 0.000 2.338 10 R HA 0.733 5.073 4.340 0.000 0.000 0.317 10 R C -0.826 175.441 176.300 -0.054 0.000 0.968 10 R CA -0.621 55.465 56.100 -0.022 0.000 0.849 10 R CB 1.495 31.800 30.300 0.008 0.000 1.128 10 R HN 0.682 nan 8.270 nan 0.000 0.448 11 I N -2.063 118.452 120.570 -0.092 0.000 2.785 11 I HA 0.538 4.708 4.170 0.000 0.000 0.302 11 I C -0.544 175.536 176.117 -0.061 0.000 1.069 11 I CA -0.971 60.280 61.300 -0.081 0.000 1.045 11 I CB 2.356 40.300 38.000 -0.095 0.000 1.236 11 I HN 0.501 nan 8.210 nan 0.000 0.429 12 E N 3.320 123.524 120.200 0.007 0.000 2.242 12 E HA 0.765 5.115 4.350 0.000 0.000 0.275 12 E C -1.169 175.484 176.600 0.088 0.000 1.002 12 E CA -0.907 55.517 56.400 0.041 0.000 0.841 12 E CB 1.762 31.511 29.700 0.082 0.000 1.109 12 E HN 0.894 nan 8.360 nan 0.000 0.394 13 A N 1.588 124.464 122.820 0.092 0.000 2.539 13 A HA 0.384 4.704 4.320 0.000 0.000 0.296 13 A C 0.160 177.836 177.584 0.153 0.000 1.073 13 A CA -0.292 51.854 52.037 0.182 0.000 0.700 13 A CB 1.538 20.670 19.000 0.221 0.000 1.296 13 A HN 0.703 nan 8.150 nan 0.000 0.405 14 T N -2.519 112.135 114.554 0.166 0.000 3.044 14 T HA 0.218 4.568 4.350 0.000 0.000 0.250 14 T C -0.098 174.661 174.700 0.098 0.000 1.081 14 T CA 1.049 63.208 62.100 0.097 0.000 1.040 14 T CB 0.024 68.930 68.868 0.064 0.000 0.962 14 T HN 0.524 nan 8.240 nan 0.000 0.506 15 D N 0.377 120.870 120.400 0.154 0.000 2.346 15 D HA 0.323 4.963 4.640 0.000 0.000 0.255 15 D C 0.837 177.261 176.300 0.207 0.000 1.276 15 D CA -0.518 53.557 54.000 0.126 0.000 0.941 15 D CB 1.002 41.835 40.800 0.055 0.000 1.199 15 D HN -0.142 nan 8.370 nan 0.000 0.537 16 M N 1.416 121.118 119.600 0.169 0.000 2.200 16 M HA 0.046 4.526 4.480 0.000 0.000 0.265 16 M C 1.950 178.359 176.300 0.181 0.000 1.066 16 M CA 0.815 56.227 55.300 0.188 0.000 1.127 16 M CB -1.082 31.582 32.600 0.106 0.000 1.379 16 M HN 0.474 nan 8.290 nan 0.000 0.420 17 A N 0.082 122.973 122.820 0.119 0.000 1.930 17 A HA 0.065 4.385 4.320 0.000 0.000 0.217 17 A C 2.423 180.065 177.584 0.097 0.000 1.175 17 A CA 1.831 53.925 52.037 0.094 0.000 0.627 17 A CB -0.765 18.269 19.000 0.058 0.000 0.815 17 A HN 0.446 nan 8.150 nan 0.000 0.443 18 A N -1.325 121.537 122.820 0.071 0.000 1.873 18 A HA -0.142 4.178 4.320 0.000 0.000 0.215 18 A C 1.997 179.594 177.584 0.022 0.000 1.186 18 A CA 1.281 53.313 52.037 -0.009 0.000 0.616 18 A CB -0.924 18.003 19.000 -0.122 0.000 0.823 18 A HN 0.730 nan 8.150 nan 0.000 0.442 19 W N -0.296 121.038 121.300 0.057 0.000 2.358 19 W HA -0.122 4.538 4.660 0.000 0.000 0.303 19 W C 2.650 179.258 176.519 0.148 0.000 1.208 19 W CA 1.645 59.054 57.345 0.107 0.000 1.274 19 W CB -0.054 29.455 29.460 0.083 0.000 1.138 19 W HN 0.280 nan 8.180 nan 0.000 0.515 20 R N 0.617 121.322 120.500 0.341 0.000 2.081 20 R HA -0.205 4.135 4.340 0.000 0.000 0.235 20 R C 1.991 178.412 176.300 0.201 0.000 1.131 20 R CA 1.997 58.238 56.100 0.235 0.000 0.960 20 R CB -0.337 30.056 30.300 0.154 0.000 0.856 20 R HN 0.080 nan 8.270 nan 0.000 0.436 21 E N -0.566 119.737 120.200 0.171 0.000 2.072 21 E HA -0.216 4.134 4.350 0.000 0.000 0.191 21 E C 1.695 178.387 176.600 0.154 0.000 0.985 21 E CA 1.326 57.806 56.400 0.134 0.000 0.801 21 E CB -0.355 29.402 29.700 0.094 0.000 0.750 21 E HN 0.412 nan 8.360 nan 0.000 0.452 22 Y N 0.074 120.395 120.300 0.035 0.000 2.163 22 Y HA -0.047 4.503 4.550 0.000 0.000 0.288 22 Y C 2.106 178.072 175.900 0.110 0.000 1.136 22 Y CA 2.114 60.214 58.100 0.000 0.000 1.147 22 Y CB -0.750 37.614 38.460 -0.160 0.000 0.987 22 Y HN 0.119 nan 8.280 nan 0.000 0.509 23 G N 0.221 109.187 108.800 0.277 0.000 2.440 23 G HA2 -0.234 3.726 3.960 0.000 0.000 0.218 23 G HA3 -0.234 3.726 3.960 0.000 0.000 0.218 23 G C 1.396 176.400 174.900 0.172 0.000 1.154 23 G CA 1.284 46.534 45.100 0.251 0.000 0.767 23 G HN 0.347 nan 8.290 nan 0.000 0.552 24 L N 0.077 121.401 121.223 0.169 0.000 2.102 24 L HA 0.192 4.532 4.340 0.000 0.000 0.202 24 L C 2.568 179.575 176.870 0.229 0.000 1.076 24 L CA 1.356 56.301 54.840 0.177 0.000 0.761 24 L CB -0.450 41.693 42.059 0.140 0.000 0.921 24 L HN 0.095 nan 8.230 nan 0.000 0.444 25 K N -1.328 119.163 120.400 0.152 0.000 2.334 25 K HA 0.206 4.526 4.320 0.000 0.000 0.195 25 K C 1.820 178.376 176.600 -0.074 0.000 1.045 25 K CA 0.466 56.841 56.287 0.146 0.000 1.004 25 K CB 0.581 33.139 32.500 0.097 0.000 0.837 25 K HN 0.140 nan 8.250 nan 0.000 0.510 26 V N 1.161 120.972 119.914 -0.172 0.000 2.602 26 V HA -0.004 4.117 4.120 0.000 0.000 0.235 26 V C 2.178 178.062 176.094 -0.350 0.000 1.087 26 V CA 0.552 62.636 62.300 -0.361 0.000 1.117 26 V CB -0.338 31.166 31.823 -0.531 0.000 0.820 26 V HN 0.036 nan 8.190 nan 0.000 0.490 27 L N 1.091 122.141 121.223 -0.288 0.000 2.275 27 L HA 0.109 4.449 4.340 0.000 0.000 0.215 27 L C 1.802 178.949 176.870 0.460 0.000 1.119 27 L CA 1.213 56.088 54.840 0.058 0.000 0.790 27 L CB -1.018 41.144 42.059 0.172 0.000 0.919 27 L HN 0.674 nan 8.230 nan 0.000 0.443 28 G N 0.479 109.533 108.800 0.422 0.000 2.249 28 G HA2 -0.313 3.647 3.960 0.000 0.000 0.273 28 G HA3 -0.313 3.647 3.960 0.000 0.000 0.273 28 G C 0.250 175.475 174.900 0.543 0.000 1.036 28 G CA 0.222 45.682 45.100 0.600 0.000 0.824 28 G HN 0.254 nan 8.290 nan 0.000 0.504 29 M N -0.994 118.891 119.600 0.476 0.000 2.163 29 M HA 0.523 5.003 4.480 0.000 0.000 0.305 29 M C 0.640 177.074 176.300 0.224 0.000 1.166 29 M CA -0.345 55.175 55.300 0.367 0.000 1.132 29 M CB 1.197 33.927 32.600 0.216 0.000 1.413 29 M HN -0.073 nan 8.290 nan 0.000 0.478 30 V N 0.505 120.520 119.914 0.169 0.000 2.555 30 V HA 0.215 4.335 4.120 0.000 0.000 0.302 30 V C -0.248 175.907 176.094 0.101 0.000 1.038 30 V CA -0.792 61.575 62.300 0.111 0.000 0.887 30 V CB 1.731 33.608 31.823 0.090 0.000 0.991 30 V HN 0.781 nan 8.190 nan 0.000 0.434 31 E N 2.510 122.762 120.200 0.087 0.000 2.344 31 E HA 0.420 4.770 4.350 0.000 0.000 0.270 31 E C 0.459 177.109 176.600 0.084 0.000 1.021 31 E CA -0.040 56.412 56.400 0.087 0.000 0.887 31 E CB 1.060 30.799 29.700 0.065 0.000 0.997 31 E HN 0.858 nan 8.360 nan 0.000 0.429 32 G N 3.709 112.585 108.800 0.127 0.000 2.588 32 G HA2 0.247 4.207 3.960 0.000 0.000 0.281 32 G HA3 0.247 4.207 3.960 0.000 0.000 0.281 32 G C -0.710 174.248 174.900 0.096 0.000 1.236 32 G CA -0.501 44.690 45.100 0.150 0.000 0.969 32 G HN 0.516 nan 8.290 nan 0.000 0.504 33 K N -1.196 119.262 120.400 0.097 0.000 2.281 33 K HA 0.574 4.894 4.320 0.000 0.000 0.242 33 K C 0.571 177.171 176.600 -0.001 0.000 0.971 33 K CA -0.173 56.121 56.287 0.012 0.000 0.834 33 K CB 1.980 34.486 32.500 0.009 0.000 1.181 33 K HN 0.987 nan 8.250 nan 0.000 0.435 34 G N 0.100 108.845 108.800 -0.091 0.000 2.143 34 G HA2 -0.278 3.682 3.960 0.000 0.000 0.249 34 G HA3 -0.278 3.682 3.960 0.000 0.000 0.249 34 G C 0.152 174.919 174.900 -0.222 0.000 0.981 34 G CA 0.075 45.123 45.100 -0.087 0.000 0.665 34 G HN 0.800 nan 8.290 nan 0.000 0.528 35 A N 0.553 123.016 122.820 -0.594 0.000 2.511 35 A HA 0.635 4.955 4.320 0.000 0.000 0.242 35 A C -0.288 177.063 177.584 -0.389 0.000 1.069 35 A CA 0.045 51.496 52.037 -0.977 0.000 0.763 35 A CB 0.094 18.340 19.000 -1.256 0.000 1.001 35 A HN 0.295 nan 8.150 nan 0.000 0.498 36 P HA 0.139 nan 4.420 nan 0.000 0.293 36 P C -0.579 176.653 177.300 -0.114 0.000 1.285 36 P CA -0.212 62.816 63.100 -0.119 0.000 0.775 36 P CB 0.071 31.735 31.700 -0.060 0.000 1.351 37 E N -0.192 119.967 120.200 -0.069 0.000 2.341 37 E HA 0.341 4.691 4.350 0.000 0.000 0.256 37 E C 1.156 177.726 176.600 -0.051 0.000 1.125 37 E CA 0.575 56.943 56.400 -0.053 0.000 0.939 37 E CB -1.444 28.237 29.700 -0.032 0.000 0.991 37 E HN 0.734 nan 8.360 nan 0.000 0.458 38 G N 1.899 110.665 108.800 -0.057 0.000 2.166 38 G HA2 -0.302 3.658 3.960 0.000 0.000 0.260 38 G HA3 -0.302 3.658 3.960 0.000 0.000 0.260 38 G C 0.478 175.350 174.900 -0.045 0.000 0.986 38 G CA 0.140 45.215 45.100 -0.041 0.000 0.683 38 G HN 0.932 nan 8.290 nan 0.000 0.527 39 A N -0.913 121.857 122.820 -0.084 0.000 2.287 39 A HA 0.826 5.146 4.320 0.000 0.000 0.273 39 A C -0.061 177.453 177.584 -0.116 0.000 1.091 39 A CA 0.094 52.081 52.037 -0.083 0.000 0.817 39 A CB 1.153 20.103 19.000 -0.084 0.000 1.069 39 A HN 1.508 nan 8.150 nan 0.000 0.492 40 L N 0.896 122.095 121.223 -0.040 0.000 2.356 40 L HA 0.590 4.930 4.340 0.000 0.000 0.277 40 L C -1.885 175.080 176.870 0.160 0.000 0.996 40 L CA -0.325 54.519 54.840 0.007 0.000 0.822 40 L CB 1.285 43.374 42.059 0.049 0.000 1.256 40 L HN 0.549 nan 8.230 nan 0.000 0.413 41 Y N 5.951 126.230 120.300 -0.034 0.000 2.342 41 Y HA 0.537 5.087 4.550 0.000 0.000 0.338 41 Y C -0.566 175.325 175.900 -0.015 0.000 0.965 41 Y CA -1.284 56.789 58.100 -0.046 0.000 1.159 41 Y CB 1.435 39.864 38.460 -0.052 0.000 1.157 41 Y HN 0.347 nan 8.280 nan 0.000 0.486 42 L N 5.048 126.344 121.223 0.121 0.000 2.296 42 L HA 0.519 4.859 4.340 0.000 0.000 0.286 42 L C 0.108 176.994 176.870 0.026 0.000 1.023 42 L CA -0.922 53.969 54.840 0.085 0.000 0.812 42 L CB 1.181 43.291 42.059 0.085 0.000 1.223 42 L HN 0.522 nan 8.230 nan 0.000 0.421 43 R N 3.723 124.248 120.500 0.043 0.000 2.664 43 R HA 0.568 4.908 4.340 0.000 0.000 0.286 43 R C 0.179 176.486 176.300 0.012 0.000 0.967 43 R CA -0.491 55.623 56.100 0.024 0.000 0.933 43 R CB 2.080 32.416 30.300 0.060 0.000 1.146 43 R HN 0.603 nan 8.270 nan 0.000 0.468 44 M N 0.252 119.832 119.600 -0.034 0.000 2.296 44 M HA 0.113 4.593 4.480 0.000 0.000 0.291 44 M C -0.641 175.751 176.300 0.153 0.000 1.013 44 M CA 0.199 55.468 55.300 -0.051 0.000 1.089 44 M CB 0.658 32.989 32.600 -0.448 0.000 1.677 44 M HN 0.664 nan 8.290 nan 0.000 0.584 45 D N -1.661 118.804 120.400 0.109 0.000 3.213 45 D HA 0.011 4.651 4.640 0.000 0.000 0.357 45 D C -0.396 175.981 176.300 0.128 0.000 1.446 45 D CA -0.154 53.924 54.000 0.131 0.000 0.893 45 D CB -0.341 40.533 40.800 0.124 0.000 1.466 45 D HN -0.048 nan 8.370 nan 0.000 0.541 46 D N -0.588 119.898 120.400 0.143 0.000 2.309 46 D HA -0.047 4.593 4.640 0.000 0.000 0.212 46 D C 0.500 176.856 176.300 0.094 0.000 0.968 46 D CA 0.220 54.279 54.000 0.098 0.000 0.882 46 D CB -0.636 40.224 40.800 0.099 0.000 0.918 46 D HN 0.174 nan 8.370 nan 0.000 0.503 47 F N 1.166 121.099 119.950 -0.029 0.000 2.629 47 F HA 0.084 4.611 4.527 0.000 0.000 0.377 47 F C -1.058 174.683 175.800 -0.099 0.000 1.101 47 F CA -1.622 56.345 58.000 -0.055 0.000 1.301 47 F CB 0.353 39.331 39.000 -0.038 0.000 1.062 47 F HN -0.123 nan 8.300 nan 0.000 0.583 48 P HA -0.057 nan 4.420 nan 0.000 0.218 48 P C -0.708 176.513 177.300 -0.132 0.000 1.148 48 P CA 1.618 64.644 63.100 -0.124 0.000 0.822 48 P CB 0.313 31.887 31.700 -0.209 0.000 0.784 49 A N -2.145 120.581 122.820 -0.157 0.000 2.566 49 A HA 0.550 4.870 4.320 0.000 0.000 0.297 49 A C 0.460 178.008 177.584 -0.060 0.000 1.059 49 A CA -0.600 51.325 52.037 -0.187 0.000 0.691 49 A CB 1.186 19.852 19.000 -0.557 0.000 1.282 49 A HN -0.283 nan 8.150 nan 0.000 0.401 50 R N 0.091 120.549 120.500 -0.070 0.000 2.142 50 R HA 0.207 4.547 4.340 0.000 0.000 0.204 50 R C -0.353 175.892 176.300 -0.091 0.000 1.059 50 R CA 0.573 56.617 56.100 -0.094 0.000 1.055 50 R CB -0.262 29.928 30.300 -0.183 0.000 0.976 50 R HN 0.558 nan 8.270 nan 0.000 0.483 51 L N 1.620 122.786 121.223 -0.096 0.000 2.316 51 L HA 0.392 4.732 4.340 0.000 0.000 0.280 51 L C -1.104 175.709 176.870 -0.096 0.000 1.006 51 L CA -0.643 54.143 54.840 -0.090 0.000 0.836 51 L CB 1.856 43.879 42.059 -0.061 0.000 1.221 51 L HN -0.269 nan 8.230 nan 0.000 0.418 52 V N 6.096 125.938 119.914 -0.121 0.000 2.370 52 V HA 0.471 4.591 4.120 0.000 0.000 0.279 52 V C -0.277 175.749 176.094 -0.112 0.000 1.029 52 V CA -0.594 61.657 62.300 -0.081 0.000 0.870 52 V CB 1.569 33.299 31.823 -0.155 0.000 0.984 52 V HN 0.489 nan 8.190 nan 0.000 0.451 53 V N 6.280 126.131 119.914 -0.105 0.000 2.357 53 V HA 0.519 4.639 4.120 0.000 0.000 0.284 53 V C -0.071 175.969 176.094 -0.089 0.000 1.018 53 V CA -0.632 61.540 62.300 -0.214 0.000 0.841 53 V CB 1.736 33.305 31.823 -0.424 0.000 0.991 53 V HN 0.724 nan 8.190 nan 0.000 0.437 54 V N 3.678 123.552 119.914 -0.067 0.000 2.581 54 V HA 0.748 4.868 4.120 0.000 0.000 0.303 54 V C -2.698 173.395 176.094 -0.001 0.000 1.041 54 V CA -2.941 59.348 62.300 -0.020 0.000 0.907 54 V CB 1.735 33.556 31.823 -0.004 0.000 0.994 54 V HN 0.646 nan 8.190 nan 0.000 0.442 55 P HA 0.505 nan 4.420 nan 0.000 0.265 55 P C 0.223 177.544 177.300 0.035 0.000 1.193 55 P CA 0.799 63.916 63.100 0.029 0.000 0.765 55 P CB 0.779 32.492 31.700 0.020 0.000 0.823 56 G N 1.716 110.544 108.800 0.047 0.000 2.554 56 G HA2 0.177 4.137 3.960 0.000 0.000 0.306 56 G HA3 0.177 4.137 3.960 0.000 0.000 0.306 56 G C -0.242 174.673 174.900 0.025 0.000 1.320 56 G CA -0.470 44.659 45.100 0.048 0.000 0.800 56 G HN 0.338 nan 8.290 nan 0.000 0.481 57 E N -0.676 119.521 120.200 -0.005 0.000 2.442 57 E HA 0.120 4.470 4.350 0.000 0.000 0.195 57 E C 0.005 176.389 176.600 -0.360 0.000 1.030 57 E CA 0.346 56.640 56.400 -0.177 0.000 0.869 57 E CB 0.165 29.716 29.700 -0.249 0.000 0.857 57 E HN 0.406 nan 8.360 nan 0.000 0.505 58 H N -0.416 118.690 119.070 0.060 0.000 2.894 58 H HA 0.256 4.812 4.556 0.000 0.000 0.368 58 H C -0.823 174.569 175.328 0.105 0.000 1.181 58 H CA -0.739 55.353 56.048 0.074 0.000 1.146 58 H CB 1.525 31.324 29.762 0.063 0.000 1.839 58 H HN -0.050 nan 8.280 nan 0.000 0.557 59 D N 1.970 122.531 120.400 0.270 0.000 2.443 59 D HA 0.294 4.934 4.640 0.000 0.000 0.221 59 D C -0.030 176.430 176.300 0.266 0.000 1.097 59 D CA -0.059 54.111 54.000 0.284 0.000 0.865 59 D CB 1.669 42.647 40.800 0.298 0.000 1.034 59 D HN 0.262 nan 8.370 nan 0.000 0.511 60 R N 1.697 122.320 120.500 0.205 0.000 2.594 60 R HA 0.228 4.568 4.340 0.000 0.000 0.265 60 R C -1.201 175.112 176.300 0.023 0.000 1.070 60 R CA -0.901 55.257 56.100 0.096 0.000 0.909 60 R CB 1.915 32.253 30.300 0.064 0.000 1.243 60 R HN 0.230 nan 8.270 nan 0.000 0.455 61 L N 4.414 125.601 121.223 -0.061 0.000 2.540 61 L HA 0.061 4.401 4.340 0.000 0.000 0.276 61 L C -0.062 176.787 176.870 -0.035 0.000 1.212 61 L CA 0.800 55.586 54.840 -0.089 0.000 0.893 61 L CB 0.470 42.461 42.059 -0.113 0.000 1.138 61 L HN 0.773 nan 8.230 nan 0.000 0.491 62 L N 2.686 123.893 121.223 -0.026 0.000 2.194 62 L HA 0.285 4.625 4.340 0.000 0.000 0.197 62 L C 0.167 177.042 176.870 0.007 0.000 1.106 62 L CA 0.373 55.211 54.840 -0.002 0.000 0.785 62 L CB -0.087 41.976 42.059 0.006 0.000 0.960 62 L HN 0.623 nan 8.230 nan 0.000 0.465 63 E N -1.185 119.024 120.200 0.015 0.000 2.390 63 E HA 0.600 4.950 4.350 0.000 0.000 0.277 63 E C -1.253 175.347 176.600 0.000 0.000 0.939 63 E CA -0.509 55.908 56.400 0.029 0.000 0.769 63 E CB 1.821 31.560 29.700 0.065 0.000 1.251 63 E HN 0.128 nan 8.360 nan 0.000 0.450 64 A N 1.043 123.849 122.820 -0.024 0.000 2.276 64 A HA 0.724 5.044 4.320 0.000 0.000 0.316 64 A C 0.245 177.594 177.584 -0.391 0.000 1.229 64 A CA -0.182 51.724 52.037 -0.218 0.000 0.851 64 A CB 0.634 19.543 19.000 -0.152 0.000 1.165 64 A HN 0.552 nan 8.150 nan 0.000 0.513 65 G N 1.136 109.454 108.800 -0.803 0.000 2.325 65 G HA2 0.483 4.443 3.960 0.000 0.000 0.298 65 G HA3 0.483 4.443 3.960 0.000 0.000 0.298 65 G C -0.914 173.563 174.900 -0.705 0.000 1.134 65 G CA -0.403 44.108 45.100 -0.982 0.000 0.876 65 G HN 0.650 nan 8.290 nan 0.000 0.452 66 W N 1.286 122.538 121.300 -0.079 0.000 2.417 66 W HA 0.423 5.083 4.660 0.000 0.000 0.315 66 W C 0.376 176.561 176.519 -0.557 0.000 1.045 66 W CA -0.773 56.478 57.345 -0.157 0.000 1.221 66 W CB 1.637 31.082 29.460 -0.025 0.000 1.309 66 W HN 0.506 nan 8.180 nan 0.000 0.453 67 E N 2.967 122.882 120.200 -0.474 0.000 2.259 67 E HA 0.401 4.751 4.350 0.000 0.000 0.281 67 E C -0.600 175.792 176.600 -0.348 0.000 1.027 67 E CA -0.292 55.602 56.400 -0.843 0.000 0.838 67 E CB 0.678 30.141 29.700 -0.395 0.000 1.066 67 E HN 0.454 nan 8.360 nan 0.000 0.401 68 C N 2.854 121.961 119.300 -0.321 0.000 2.345 68 C HA 0.545 5.005 4.460 0.000 0.000 0.370 68 C C 1.555 176.505 174.990 -0.066 0.000 1.209 68 C CA -0.308 58.627 59.018 -0.137 0.000 2.133 68 C CB 0.999 28.685 27.740 -0.090 0.000 2.293 68 C HN 0.976 nan 8.230 nan 0.000 0.544 69 A N 1.125 123.913 122.820 -0.053 0.000 2.016 69 A HA 0.137 4.457 4.320 0.000 0.000 0.217 69 A C 0.570 178.144 177.584 -0.015 0.000 1.162 69 A CA 1.566 53.589 52.037 -0.024 0.000 0.662 69 A CB -0.472 18.505 19.000 -0.038 0.000 0.812 69 A HN 1.052 nan 8.150 nan 0.000 0.450 70 N N -4.886 113.766 118.700 -0.081 0.000 3.373 70 N HA 0.429 5.169 4.740 0.000 0.000 0.275 70 N C 0.344 175.505 175.510 -0.581 0.000 1.489 70 N CA 0.015 52.927 53.050 -0.229 0.000 0.872 70 N CB 0.279 38.676 38.487 -0.150 0.000 1.555 70 N HN 0.087 nan 8.380 nan 0.000 0.500 71 A N -0.263 122.031 122.820 -0.875 0.000 1.908 71 A HA -0.210 4.110 4.320 0.000 0.000 0.218 71 A C 1.759 179.174 177.584 -0.281 0.000 1.181 71 A CA 2.145 53.752 52.037 -0.718 0.000 0.627 71 A CB -1.041 17.727 19.000 -0.385 0.000 0.818 71 A HN 0.812 nan 8.150 nan 0.000 0.445 72 E N -0.637 119.442 120.200 -0.202 0.000 2.110 72 E HA -0.114 4.236 4.350 0.000 0.000 0.193 72 E C 2.062 178.590 176.600 -0.120 0.000 0.988 72 E CA 0.954 57.278 56.400 -0.126 0.000 0.804 72 E CB -0.407 29.235 29.700 -0.098 0.000 0.745 72 E HN 0.531 nan 8.360 nan 0.000 0.458 73 G N 1.577 110.297 108.800 -0.134 0.000 2.422 73 G HA2 -0.248 3.712 3.960 0.000 0.000 0.218 73 G HA3 -0.248 3.712 3.960 0.000 0.000 0.218 73 G C 1.553 176.388 174.900 -0.107 0.000 1.146 73 G CA 0.427 45.457 45.100 -0.117 0.000 0.769 73 G HN 0.272 nan 8.290 nan 0.000 0.547 74 L N -0.222 120.947 121.223 -0.090 0.000 2.056 74 L HA -0.065 4.275 4.340 0.000 0.000 0.207 74 L C 2.955 179.782 176.870 -0.071 0.000 1.078 74 L CA 1.833 56.652 54.840 -0.035 0.000 0.749 74 L CB -0.247 41.870 42.059 0.096 0.000 0.901 74 L HN 0.289 nan 8.230 nan 0.000 0.433 75 Q N 0.244 120.000 119.800 -0.072 0.000 2.135 75 Q HA -0.272 4.068 4.340 0.000 0.000 0.204 75 Q C 2.018 177.955 176.000 -0.105 0.000 0.981 75 Q CA 1.779 57.537 55.803 -0.074 0.000 0.856 75 Q CB -0.201 28.505 28.738 -0.055 0.000 0.902 75 Q HN 0.372 nan 8.270 nan 0.000 0.425 76 E N -0.363 119.770 120.200 -0.111 0.000 2.077 76 E HA -0.169 4.181 4.350 0.000 0.000 0.193 76 E C 1.721 178.221 176.600 -0.166 0.000 0.989 76 E CA 1.190 57.516 56.400 -0.125 0.000 0.800 76 E CB -0.014 29.614 29.700 -0.119 0.000 0.746 76 E HN 0.391 nan 8.360 nan 0.000 0.452 77 I N 1.016 121.473 120.570 -0.188 0.000 2.179 77 I HA -0.257 3.913 4.170 0.000 0.000 0.242 77 I C 2.540 178.444 176.117 -0.356 0.000 1.088 77 I CA 1.120 62.267 61.300 -0.255 0.000 1.357 77 I CB -1.210 36.665 38.000 -0.209 0.000 1.051 77 I HN 0.118 nan 8.210 nan 0.000 0.409 78 R N 0.825 121.111 120.500 -0.356 0.000 2.112 78 R HA -0.226 4.114 4.340 0.000 0.000 0.242 78 R C 2.024 178.168 176.300 -0.260 0.000 1.137 78 R CA 1.822 57.648 56.100 -0.457 0.000 0.944 78 R CB -0.490 29.662 30.300 -0.247 0.000 0.857 78 R HN 0.439 nan 8.270 nan 0.000 0.435 79 N N 0.493 119.094 118.700 -0.164 0.000 2.149 79 N HA -0.152 4.588 4.740 0.000 0.000 0.188 79 N C 1.715 177.149 175.510 -0.126 0.000 1.019 79 N CA 1.284 54.269 53.050 -0.107 0.000 0.857 79 N CB -0.219 38.215 38.487 -0.088 0.000 0.997 79 N HN 0.282 nan 8.380 nan 0.000 0.426 80 R N -0.223 120.164 120.500 -0.187 0.000 2.073 80 R HA 0.047 4.387 4.340 0.000 0.000 0.229 80 R C 1.662 177.832 176.300 -0.215 0.000 1.120 80 R CA 0.540 56.517 56.100 -0.205 0.000 0.967 80 R CB -0.234 29.913 30.300 -0.256 0.000 0.862 80 R HN 0.086 nan 8.270 nan 0.000 0.436 81 L N 1.361 122.415 121.223 -0.282 0.000 2.046 81 L HA -0.168 4.172 4.340 0.000 0.000 0.208 81 L C 1.650 178.495 176.870 -0.042 0.000 1.077 81 L CA 1.792 56.489 54.840 -0.238 0.000 0.747 81 L CB -0.875 40.909 42.059 -0.458 0.000 0.896 81 L HN 0.114 nan 8.230 nan 0.000 0.432 82 D N -0.817 119.587 120.400 0.007 0.000 2.117 82 D HA -0.177 4.463 4.640 0.000 0.000 0.197 82 D C 2.343 178.647 176.300 0.007 0.000 0.987 82 D CA 0.625 54.657 54.000 0.055 0.000 0.829 82 D CB -0.104 40.740 40.800 0.072 0.000 0.961 82 D HN 0.145 nan 8.370 nan 0.000 0.460 83 L N 0.909 122.117 121.223 -0.025 0.000 2.079 83 L HA -0.207 4.133 4.340 0.000 0.000 0.210 83 L C 2.113 178.978 176.870 -0.008 0.000 1.081 83 L CA 1.643 56.469 54.840 -0.024 0.000 0.752 83 L CB -0.203 41.829 42.059 -0.045 0.000 0.896 83 L HN -0.020 nan 8.230 nan 0.000 0.433 84 E N -0.420 119.773 120.200 -0.012 0.000 2.230 84 E HA 0.007 4.357 4.350 0.000 0.000 0.192 84 E C 1.212 177.838 176.600 0.043 0.000 0.987 84 E CA 0.985 57.401 56.400 0.027 0.000 0.841 84 E CB 0.055 29.771 29.700 0.026 0.000 0.783 84 E HN 0.492 nan 8.360 nan 0.000 0.481 85 G N -0.002 108.818 108.800 0.033 0.000 2.131 85 G HA2 -0.222 3.738 3.960 0.000 0.000 0.223 85 G HA3 -0.222 3.738 3.960 0.000 0.000 0.223 85 G C 0.105 175.032 174.900 0.045 0.000 0.990 85 G CA 0.306 45.426 45.100 0.032 0.000 0.671 85 G HN 0.263 nan 8.290 nan 0.000 0.521 86 T N 3.074 117.669 114.554 0.068 0.000 2.761 86 T HA 0.488 4.838 4.350 0.000 0.000 0.296 86 T C -1.989 172.781 174.700 0.117 0.000 0.934 86 T CA -0.545 61.611 62.100 0.093 0.000 1.091 86 T CB 1.647 70.596 68.868 0.135 0.000 0.896 86 T HN 0.172 nan 8.240 nan 0.000 0.515 87 P HA 0.275 nan 4.420 nan 0.000 0.271 87 P C -1.104 176.304 177.300 0.180 0.000 1.216 87 P CA -0.293 62.840 63.100 0.055 0.000 0.771 87 P CB 0.113 31.831 31.700 0.030 0.000 0.864 88 Y N -0.779 119.546 120.300 0.043 0.000 2.588 88 Y HA 0.710 5.260 4.550 0.000 0.000 0.343 88 Y C -0.836 175.123 175.900 0.097 0.000 1.065 88 Y CA -1.447 56.721 58.100 0.114 0.000 1.038 88 Y CB 1.684 40.170 38.460 0.043 0.000 1.297 88 Y HN 0.105 nan 8.280 nan 0.000 0.467 89 K N 1.683 122.237 120.400 0.255 0.000 2.316 89 K HA 0.310 4.630 4.320 0.000 0.000 0.251 89 K C -0.956 175.789 176.600 0.241 0.000 0.934 89 K CA -1.083 55.291 56.287 0.144 0.000 0.802 89 K CB 1.870 34.438 32.500 0.113 0.000 1.171 89 K HN 0.603 nan 8.250 nan 0.000 0.426 90 E N 1.232 121.537 120.200 0.175 0.000 2.373 90 E HA 0.103 4.453 4.350 0.000 0.000 0.267 90 E C -0.202 176.478 176.600 0.133 0.000 1.032 90 E CA -0.182 56.323 56.400 0.176 0.000 0.889 90 E CB 1.015 30.796 29.700 0.135 0.000 0.984 90 E HN 0.661 nan 8.360 nan 0.000 0.425 91 A N 2.865 125.765 122.820 0.133 0.000 2.498 91 A HA 0.167 4.487 4.320 0.000 0.000 0.239 91 A C 0.858 178.483 177.584 0.067 0.000 1.068 91 A CA 0.009 52.104 52.037 0.097 0.000 0.766 91 A CB -0.194 18.860 19.000 0.091 0.000 1.003 91 A HN 0.666 nan 8.150 nan 0.000 0.497 92 T N -0.523 114.062 114.554 0.051 0.000 2.726 92 T HA 0.432 4.782 4.350 0.000 0.000 0.294 92 T C 1.448 176.163 174.700 0.025 0.000 1.013 92 T CA 0.067 62.188 62.100 0.035 0.000 0.996 92 T CB 0.642 69.526 68.868 0.027 0.000 1.016 92 T HN 1.312 nan 8.240 nan 0.000 0.529 93 A N 1.003 123.834 122.820 0.018 0.000 1.883 93 A HA 0.142 4.462 4.320 0.000 0.000 0.217 93 A C 2.724 180.310 177.584 0.002 0.000 1.186 93 A CA 2.052 54.094 52.037 0.010 0.000 0.624 93 A CB -1.645 17.360 19.000 0.008 0.000 0.822 93 A HN 1.299 nan 8.150 nan 0.000 0.444 94 A N -0.419 122.402 122.820 0.003 0.000 1.933 94 A HA -0.185 4.136 4.320 0.000 0.000 0.218 94 A C 1.930 179.509 177.584 -0.009 0.000 1.175 94 A CA 1.756 53.791 52.037 -0.003 0.000 0.628 94 A CB -0.501 18.500 19.000 0.000 0.000 0.814 94 A HN 0.661 nan 8.150 nan 0.000 0.444 95 E N -0.734 119.466 120.200 -0.001 0.000 2.072 95 E HA -0.120 4.230 4.350 0.000 0.000 0.190 95 E C 1.813 178.400 176.600 -0.023 0.000 0.982 95 E CA 0.789 57.186 56.400 -0.005 0.000 0.803 95 E CB -0.168 29.544 29.700 0.021 0.000 0.755 95 E HN 0.387 nan 8.360 nan 0.000 0.453 96 L N 0.788 122.002 121.223 -0.014 0.000 2.017 96 L HA -0.147 4.193 4.340 0.000 0.000 0.208 96 L C 2.342 179.177 176.870 -0.059 0.000 1.073 96 L CA 1.863 56.684 54.840 -0.032 0.000 0.745 96 L CB -1.295 40.756 42.059 -0.015 0.000 0.894 96 L HN 0.075 nan 8.230 nan 0.000 0.432 97 A N -0.750 122.044 122.820 -0.044 0.000 1.902 97 A HA -0.277 4.043 4.320 0.000 0.000 0.217 97 A C 2.150 179.696 177.584 -0.063 0.000 1.181 97 A CA 1.943 53.951 52.037 -0.048 0.000 0.623 97 A CB -0.766 18.217 19.000 -0.029 0.000 0.818 97 A HN 0.482 nan 8.150 nan 0.000 0.443 98 D N -1.055 119.308 120.400 -0.062 0.000 2.117 98 D HA -0.114 4.526 4.640 0.000 0.000 0.198 98 D C 2.059 178.270 176.300 -0.147 0.000 0.982 98 D CA 1.168 55.127 54.000 -0.068 0.000 0.828 98 D CB -0.046 40.724 40.800 -0.050 0.000 0.967 98 D HN 0.359 nan 8.370 nan 0.000 0.464 99 R N -0.492 119.891 120.500 -0.195 0.000 2.275 99 R HA 0.267 4.607 4.340 0.000 0.000 0.199 99 R C 0.102 176.196 176.300 -0.344 0.000 0.989 99 R CA 0.161 56.054 56.100 -0.344 0.000 1.016 99 R CB 0.097 30.199 30.300 -0.329 0.000 0.918 99 R HN 0.073 nan 8.270 nan 0.000 0.473 100 R N -0.232 120.133 120.500 -0.225 0.000 3.261 100 R HA -0.117 4.223 4.340 0.000 0.000 0.257 100 R C -0.801 175.375 176.300 -0.207 0.000 1.014 100 R CA 0.693 56.677 56.100 -0.193 0.000 0.681 100 R CB -2.412 27.764 30.300 -0.206 0.000 1.155 100 R HN 0.189 nan 8.270 nan 0.000 0.424 101 V N -4.107 115.705 119.914 -0.170 0.000 3.001 101 V HA 0.435 4.555 4.120 0.000 0.000 0.314 101 V C 0.833 176.866 176.094 -0.102 0.000 1.099 101 V CA -0.386 61.837 62.300 -0.129 0.000 0.989 101 V CB 2.353 34.100 31.823 -0.127 0.000 1.040 101 V HN 0.069 nan 8.190 nan 0.000 0.434 102 D N 0.978 121.286 120.400 -0.153 0.000 2.120 102 D HA 0.094 4.734 4.640 0.000 0.000 0.202 102 D C 0.562 176.755 176.300 -0.178 0.000 0.972 102 D CA 1.506 55.393 54.000 -0.188 0.000 0.837 102 D CB 0.428 41.073 40.800 -0.258 0.000 0.989 102 D HN 0.831 nan 8.370 nan 0.000 0.469 103 E N -0.546 119.487 120.200 -0.278 0.000 2.367 103 E HA 0.394 4.744 4.350 0.000 0.000 0.273 103 E C -1.118 175.528 176.600 0.077 0.000 0.903 103 E CA -0.814 55.559 56.400 -0.044 0.000 0.764 103 E CB 2.575 32.329 29.700 0.090 0.000 1.252 103 E HN -0.034 nan 8.360 nan 0.000 0.446 104 M N 3.646 123.336 119.600 0.150 0.000 2.365 104 M HA 0.381 4.861 4.480 0.000 0.000 0.288 104 M C -1.994 174.442 176.300 0.227 0.000 1.152 104 M CA -0.553 54.882 55.300 0.226 0.000 0.948 104 M CB 1.753 34.485 32.600 0.220 0.000 1.729 104 M HN 0.705 nan 8.290 nan 0.000 0.487 105 I N 1.184 121.916 120.570 0.271 0.000 2.648 105 I HA 0.696 4.866 4.170 0.000 0.000 0.304 105 I C -1.075 175.276 176.117 0.390 0.000 1.009 105 I CA -0.911 60.587 61.300 0.330 0.000 1.114 105 I CB 2.066 40.234 38.000 0.279 0.000 1.293 105 I HN 0.744 nan 8.210 nan 0.000 0.449 106 R N 4.731 125.485 120.500 0.424 0.000 2.513 106 R HA 0.728 5.068 4.340 0.000 0.000 0.301 106 R C -1.455 175.127 176.300 0.470 0.000 0.968 106 R CA -0.447 55.843 56.100 0.316 0.000 0.872 106 R CB 1.903 32.326 30.300 0.206 0.000 1.177 106 R HN 0.740 nan 8.270 nan 0.000 0.444 107 F N -0.440 119.614 119.950 0.172 0.000 2.877 107 F HA 0.865 5.392 4.527 0.000 0.000 0.319 107 F C -1.690 174.182 175.800 0.118 0.000 1.174 107 F CA -1.502 56.590 58.000 0.154 0.000 0.903 107 F CB 0.980 40.101 39.000 0.200 0.000 1.357 107 F HN 0.487 nan 8.300 nan 0.000 0.472 108 A N 0.549 123.490 122.820 0.203 0.000 2.413 108 A HA 0.697 5.018 4.320 0.000 0.000 0.307 108 A C -1.367 176.173 177.584 -0.073 0.000 1.087 108 A CA -0.408 51.635 52.037 0.009 0.000 0.750 108 A CB 1.016 20.011 19.000 -0.008 0.000 1.296 108 A HN 0.940 nan 8.150 nan 0.000 0.423 109 D N 0.799 121.056 120.400 -0.240 0.000 2.398 109 D HA 0.339 4.979 4.640 0.000 0.000 0.247 109 D C -2.147 173.841 176.300 -0.519 0.000 1.227 109 D CA -1.660 51.889 54.000 -0.750 0.000 0.980 109 D CB -0.147 40.368 40.800 -0.475 0.000 1.106 109 D HN 0.104 nan 8.370 nan 0.000 0.493 110 P HA -0.056 nan 4.420 nan 0.000 0.223 110 P C 0.768 177.954 177.300 -0.190 0.000 1.144 110 P CA 1.052 63.966 63.100 -0.310 0.000 0.783 110 P CB 0.149 31.690 31.700 -0.265 0.000 0.771 111 S N -2.065 113.523 115.700 -0.185 0.000 2.558 111 S HA 0.249 4.719 4.470 0.000 0.000 0.217 111 S C 1.630 176.184 174.600 -0.076 0.000 0.975 111 S CA 0.730 58.864 58.200 -0.110 0.000 0.912 111 S CB -0.510 62.629 63.200 -0.102 0.000 0.776 111 S HN 0.328 nan 8.310 nan 0.000 0.526 112 G N 1.894 110.639 108.800 -0.091 0.000 2.175 112 G HA2 -0.246 3.714 3.960 0.000 0.000 0.244 112 G HA3 -0.246 3.714 3.960 0.000 0.000 0.244 112 G C -0.214 174.670 174.900 -0.026 0.000 0.982 112 G CA -0.332 44.735 45.100 -0.056 0.000 0.641 112 G HN 0.544 nan 8.290 nan 0.000 0.527 113 N N 0.136 118.833 118.700 -0.004 0.000 2.483 113 N HA 0.400 5.140 4.740 0.000 0.000 0.264 113 N C 0.293 175.822 175.510 0.031 0.000 1.197 113 N CA 0.336 53.416 53.050 0.050 0.000 0.927 113 N CB 0.638 39.217 38.487 0.153 0.000 1.065 113 N HN 0.283 nan 8.380 nan 0.000 0.461 114 C N 3.066 122.378 119.300 0.020 0.000 2.369 114 C HA 0.441 4.901 4.460 0.000 0.000 0.358 114 C C 0.001 174.976 174.990 -0.026 0.000 1.274 114 C CA -0.690 58.316 59.018 -0.021 0.000 1.935 114 C CB -0.763 26.975 27.740 -0.003 0.000 2.431 114 C HN 0.554 nan 8.230 nan 0.000 0.545 115 L N 3.220 124.327 121.223 -0.193 0.000 2.334 115 L HA 0.518 4.858 4.340 0.000 0.000 0.273 115 L C 0.070 176.832 176.870 -0.181 0.000 1.013 115 L CA 0.122 54.851 54.840 -0.185 0.000 0.816 115 L CB 1.030 42.757 42.059 -0.553 0.000 1.278 115 L HN 0.610 nan 8.230 nan 0.000 0.431 116 E N 1.814 122.043 120.200 0.048 0.000 2.220 116 E HA 0.473 4.824 4.350 0.000 0.000 0.256 116 E C -1.447 175.327 176.600 0.290 0.000 0.881 116 E CA -0.493 55.999 56.400 0.154 0.000 0.766 116 E CB 2.207 32.023 29.700 0.195 0.000 1.187 116 E HN 0.217 nan 8.360 nan 0.000 0.419 117 V N 5.042 125.155 119.914 0.330 0.000 2.370 117 V HA 0.508 4.628 4.120 0.000 0.000 0.283 117 V C -0.423 175.856 176.094 0.310 0.000 1.023 117 V CA -0.621 61.868 62.300 0.315 0.000 0.857 117 V CB -0.076 31.940 31.823 0.322 0.000 0.985 117 V HN 0.518 nan 8.190 nan 0.000 0.443 118 F N 3.294 123.337 119.950 0.156 0.000 2.675 118 F HA 0.876 5.403 4.527 0.000 0.000 0.324 118 F C -0.544 175.355 175.800 0.165 0.000 1.106 118 F CA -0.801 57.276 58.000 0.128 0.000 0.970 118 F CB 1.796 40.863 39.000 0.111 0.000 1.385 118 F HN 0.675 nan 8.300 nan 0.000 0.489 119 H N -1.355 117.876 119.070 0.268 0.000 2.990 119 H HA 0.521 5.077 4.556 0.000 0.000 0.343 119 H C 0.253 175.738 175.328 0.261 0.000 1.270 119 H CA -1.056 55.086 56.048 0.157 0.000 1.118 119 H CB 1.450 31.239 29.762 0.045 0.000 1.861 119 H HN 1.611 nan 8.280 nan 0.000 0.544 120 G N 1.209 110.135 108.800 0.211 0.000 2.198 120 G HA2 -0.301 3.659 3.960 0.000 0.000 0.257 120 G HA3 -0.301 3.659 3.960 0.000 0.000 0.257 120 G C 0.331 175.257 174.900 0.043 0.000 1.042 120 G CA 0.655 45.814 45.100 0.099 0.000 0.791 120 G HN 0.948 nan 8.290 nan 0.000 0.502 121 T N 0.290 114.910 114.554 0.110 0.000 2.946 121 T HA 0.475 4.825 4.350 0.000 0.000 0.312 121 T C 1.261 175.878 174.700 -0.139 0.000 1.066 121 T CA 0.946 62.998 62.100 -0.080 0.000 1.138 121 T CB 0.234 68.956 68.868 -0.244 0.000 1.014 121 T HN 1.753 nan 8.240 nan 0.000 0.544 122 A N 5.035 127.747 122.820 -0.179 0.000 2.445 122 A HA 0.564 4.884 4.320 0.000 0.000 0.242 122 A C -0.030 177.396 177.584 -0.262 0.000 1.075 122 A CA -0.275 51.662 52.037 -0.166 0.000 0.777 122 A CB 0.064 18.977 19.000 -0.146 0.000 1.013 122 A HN 0.860 nan 8.150 nan 0.000 0.493 123 L N 0.995 122.086 121.223 -0.220 0.000 2.319 123 L HA 0.517 4.857 4.340 0.000 0.000 0.267 123 L C -0.083 176.475 176.870 -0.519 0.000 1.011 123 L CA -0.801 53.851 54.840 -0.314 0.000 0.818 123 L CB 1.723 43.684 42.059 -0.164 0.000 1.316 123 L HN 0.627 nan 8.230 nan 0.000 0.432 124 E N 0.606 120.519 120.200 -0.479 0.000 2.183 124 E HA 0.284 4.634 4.350 0.000 0.000 0.271 124 E C -0.280 176.034 176.600 -0.477 0.000 0.919 124 E CA -0.494 55.620 56.400 -0.478 0.000 0.781 124 E CB 1.731 31.316 29.700 -0.192 0.000 1.140 124 E HN 0.521 nan 8.360 nan 0.000 0.402 125 H N 0.553 119.631 119.070 0.012 0.000 2.750 125 H HA 0.105 4.661 4.556 0.000 0.000 0.263 125 H C 0.757 176.098 175.328 0.022 0.000 0.964 125 H CA -0.136 55.923 56.048 0.019 0.000 1.205 125 H CB 0.842 30.612 29.762 0.013 0.000 1.454 125 H HN 0.156 nan 8.280 nan 0.000 0.503 126 R N 2.497 123.048 120.500 0.085 0.000 2.570 126 R HA 0.011 4.351 4.340 0.000 0.000 0.277 126 R C -0.133 176.200 176.300 0.054 0.000 1.039 126 R CA -0.183 55.954 56.100 0.061 0.000 1.065 126 R CB 0.452 30.774 30.300 0.037 0.000 0.964 126 R HN 0.217 nan 8.270 nan 0.000 0.428 127 R N 1.842 122.372 120.500 0.051 0.000 2.583 127 R HA 0.002 4.342 4.340 0.000 0.000 0.274 127 R C -0.317 176.009 176.300 0.044 0.000 0.998 127 R CA 0.012 56.141 56.100 0.048 0.000 1.081 127 R CB 0.492 30.814 30.300 0.036 0.000 0.940 127 R HN 0.296 nan 8.270 nan 0.000 0.413 128 V N 5.033 124.982 119.914 0.057 0.000 2.385 128 V HA 0.154 4.274 4.120 0.000 0.000 0.269 128 V C -0.125 176.001 176.094 0.052 0.000 1.043 128 V CA -0.301 62.037 62.300 0.063 0.000 0.906 128 V CB 1.533 33.412 31.823 0.094 0.000 0.995 128 V HN 0.432 nan 8.190 nan 0.000 0.467 129 V N 4.661 124.589 119.914 0.023 0.000 2.349 129 V HA 0.298 4.418 4.120 0.000 0.000 0.284 129 V C 0.412 176.471 176.094 -0.058 0.000 1.014 129 V CA -0.382 61.907 62.300 -0.017 0.000 0.826 129 V CB 1.676 33.482 31.823 -0.028 0.000 1.009 129 V HN 0.850 nan 8.190 nan 0.000 0.431 130 S N 7.195 122.835 115.700 -0.100 0.000 2.533 130 S HA 0.201 4.671 4.470 0.000 0.000 0.282 130 S C -0.620 173.802 174.600 -0.297 0.000 1.304 130 S CA -0.806 57.272 58.200 -0.204 0.000 1.063 130 S CB 0.958 63.882 63.200 -0.461 0.000 0.881 130 S HN 0.664 nan 8.310 nan 0.000 0.493 131 P HA -0.066 nan 4.420 nan 0.000 0.225 131 P C 0.136 177.042 177.300 -0.657 0.000 1.148 131 P CA 1.125 63.891 63.100 -0.558 0.000 0.779 131 P CB -0.103 31.168 31.700 -0.714 0.000 0.780 132 Y N -0.936 119.272 120.300 -0.153 0.000 2.482 132 Y HA 0.381 4.931 4.550 0.000 0.000 0.270 132 Y C 2.118 177.943 175.900 -0.126 0.000 1.152 132 Y CA 0.368 58.399 58.100 -0.115 0.000 1.292 132 Y CB -0.553 37.884 38.460 -0.039 0.000 1.070 132 Y HN 0.075 nan 8.280 nan 0.000 0.528 133 G N 0.011 108.725 108.800 -0.144 0.000 2.175 133 G HA2 -0.275 3.685 3.960 0.000 0.000 0.244 133 G HA3 -0.275 3.685 3.960 0.000 0.000 0.244 133 G C 0.189 175.055 174.900 -0.057 0.000 0.982 133 G CA 0.148 45.200 45.100 -0.080 0.000 0.641 133 G HN 0.622 nan 8.290 nan 0.000 0.527 134 H N -0.058 119.005 119.070 -0.011 0.000 2.551 134 H HA 0.710 5.266 4.556 0.000 0.000 0.358 134 H C 0.064 175.285 175.328 -0.177 0.000 1.151 134 H CA -0.251 55.740 56.048 -0.095 0.000 1.374 134 H CB 0.885 30.576 29.762 -0.120 0.000 1.473 134 H HN 0.311 nan 8.280 nan 0.000 0.574 135 R N 1.923 122.418 120.500 -0.008 0.000 2.514 135 R HA 0.283 4.623 4.340 0.000 0.000 0.301 135 R C -0.775 175.464 176.300 -0.102 0.000 0.962 135 R CA -0.769 55.314 56.100 -0.029 0.000 0.882 135 R CB 1.298 31.611 30.300 0.021 0.000 1.143 135 R HN 0.374 nan 8.270 nan 0.000 0.452 136 F N 0.951 120.962 119.950 0.102 0.000 2.410 136 F HA 0.180 4.707 4.527 0.000 0.000 0.334 136 F C 0.656 176.442 175.800 -0.024 0.000 1.134 136 F CA -0.461 57.542 58.000 0.004 0.000 1.227 136 F CB 0.867 39.864 39.000 -0.003 0.000 1.194 136 F HN 0.072 nan 8.300 nan 0.000 0.571 137 V N 2.547 122.538 119.914 0.129 0.000 2.304 137 V HA 0.244 4.364 4.120 0.000 0.000 0.269 137 V C 0.316 176.423 176.094 0.022 0.000 1.036 137 V CA 0.094 62.423 62.300 0.049 0.000 0.840 137 V CB 0.250 32.073 31.823 0.000 0.000 1.036 137 V HN 1.065 nan 8.190 nan 0.000 0.466 138 T N 1.531 116.099 114.554 0.024 0.000 3.257 138 T HA 0.579 4.929 4.350 0.000 0.000 0.176 138 T C 1.340 176.035 174.700 -0.009 0.000 0.892 138 T CA 0.743 62.830 62.100 -0.022 0.000 1.147 138 T CB -0.232 68.609 68.868 -0.045 0.000 1.840 138 T HN 1.184 nan 8.240 nan 0.000 0.375 139 G N 2.707 111.517 108.800 0.016 0.000 2.652 139 G HA2 -0.446 3.514 3.960 0.000 0.000 0.318 139 G HA3 -0.446 3.514 3.960 0.000 0.000 0.318 139 G C 0.882 175.794 174.900 0.021 0.000 1.295 139 G CA 1.444 46.565 45.100 0.035 0.000 0.999 139 G HN 1.191 nan 8.290 nan 0.000 0.548 140 E N 0.348 120.560 120.200 0.020 0.000 2.333 140 E HA -0.121 4.229 4.350 0.000 0.000 0.198 140 E C 2.151 178.750 176.600 -0.001 0.000 1.007 140 E CA 1.573 57.981 56.400 0.012 0.000 0.845 140 E CB -0.235 29.471 29.700 0.010 0.000 0.766 140 E HN 0.734 nan 8.360 nan 0.000 0.507 141 Q N 0.799 120.594 119.800 -0.009 0.000 2.451 141 Q HA 0.118 4.458 4.340 0.000 0.000 0.206 141 Q C 0.969 176.949 176.000 -0.034 0.000 0.947 141 Q CA 0.263 56.056 55.803 -0.017 0.000 0.937 141 Q CB 0.352 29.077 28.738 -0.022 0.000 1.025 141 Q HN 0.433 nan 8.270 nan 0.000 0.511 142 G N 1.509 110.275 108.800 -0.058 0.000 2.641 142 G HA2 -0.400 3.561 3.960 0.000 0.000 0.254 142 G HA3 -0.400 3.561 3.960 0.000 0.000 0.254 142 G C 0.380 175.173 174.900 -0.179 0.000 1.315 142 G CA 0.230 45.251 45.100 -0.131 0.000 0.907 142 G HN 0.339 nan 8.290 nan 0.000 0.572 143 M N -0.050 119.396 119.600 -0.257 0.000 2.159 143 M HA 0.267 4.748 4.480 0.000 0.000 0.263 143 M C 1.462 177.629 176.300 -0.220 0.000 1.063 143 M CA 3.343 58.476 55.300 -0.277 0.000 1.110 143 M CB -0.456 31.955 32.600 -0.315 0.000 1.374 143 M HN 2.184 nan 8.290 nan 0.000 0.411 144 G N -1.178 107.511 108.800 -0.186 0.000 2.491 144 G HA2 0.132 4.092 3.960 0.000 0.000 0.183 144 G HA3 0.132 4.092 3.960 0.000 0.000 0.183 144 G C -1.515 173.312 174.900 -0.122 0.000 1.221 144 G CA -0.220 44.759 45.100 -0.201 0.000 0.996 144 G HN 0.677 nan 8.290 nan 0.000 0.474 145 H N -1.953 117.061 119.070 -0.094 0.000 2.961 145 H HA 0.787 5.344 4.556 0.000 0.000 0.371 145 H C -1.978 173.297 175.328 -0.087 0.000 1.190 145 H CA -0.979 55.030 56.048 -0.065 0.000 1.138 145 H CB 2.256 31.973 29.762 -0.076 0.000 1.816 145 H HN 0.854 nan 8.280 nan 0.000 0.551 146 V N 2.732 122.713 119.914 0.111 0.000 2.588 146 V HA 0.339 4.459 4.120 0.000 0.000 0.304 146 V C -0.980 174.990 176.094 -0.206 0.000 1.042 146 V CA -0.599 61.661 62.300 -0.066 0.000 0.877 146 V CB 1.644 33.396 31.823 -0.119 0.000 0.996 146 V HN 0.646 nan 8.190 nan 0.000 0.425 147 V N 8.084 127.798 119.914 -0.334 0.000 2.370 147 V HA 0.544 4.664 4.120 0.000 0.000 0.283 147 V C -0.069 175.833 176.094 -0.320 0.000 1.023 147 V CA -0.395 61.660 62.300 -0.409 0.000 0.857 147 V CB 1.309 32.876 31.823 -0.428 0.000 0.985 147 V HN 0.691 nan 8.190 nan 0.000 0.443 148 L N 2.640 123.620 121.223 -0.405 0.000 2.323 148 L HA 0.588 4.928 4.340 0.000 0.000 0.265 148 L C 0.372 177.217 176.870 -0.041 0.000 1.012 148 L CA -0.607 54.103 54.840 -0.217 0.000 0.820 148 L CB 2.346 44.279 42.059 -0.209 0.000 1.334 148 L HN 0.513 nan 8.230 nan 0.000 0.427 149 S N 0.217 115.945 115.700 0.047 0.000 2.576 149 S HA 0.311 4.781 4.470 0.000 0.000 0.276 149 S C -0.070 174.646 174.600 0.194 0.000 1.339 149 S CA -0.166 58.092 58.200 0.096 0.000 1.039 149 S CB 1.148 64.379 63.200 0.051 0.000 0.902 149 S HN 0.629 nan 8.310 nan 0.000 0.516 150 T N 0.370 115.010 114.554 0.144 0.000 2.906 150 T HA 0.444 4.794 4.350 0.000 0.000 0.295 150 T C 0.794 175.502 174.700 0.014 0.000 1.061 150 T CA -0.945 61.187 62.100 0.053 0.000 1.000 150 T CB 0.954 69.806 68.868 -0.026 0.000 1.103 150 T HN 0.630 nan 8.240 nan 0.000 0.486 151 R N 1.839 122.328 120.500 -0.020 0.000 2.240 151 R HA 0.341 4.681 4.340 0.000 0.000 0.203 151 R C -0.017 176.277 176.300 -0.009 0.000 1.011 151 R CA 0.315 56.406 56.100 -0.014 0.000 1.007 151 R CB 0.248 30.534 30.300 -0.023 0.000 0.911 151 R HN 0.384 nan 8.270 nan 0.000 0.468 152 D N 0.403 120.795 120.400 -0.014 0.000 2.452 152 D HA -0.013 4.627 4.640 0.000 0.000 0.226 152 D C -0.636 175.675 176.300 0.017 0.000 1.366 152 D CA -0.491 53.511 54.000 0.004 0.000 0.986 152 D CB 1.072 41.867 40.800 -0.008 0.000 1.420 152 D HN 0.101 nan 8.370 nan 0.000 0.583 153 D N 2.630 123.069 120.400 0.064 0.000 2.144 153 D HA -0.103 4.537 4.640 0.000 0.000 0.200 153 D C 1.723 178.091 176.300 0.113 0.000 0.978 153 D CA 1.237 55.302 54.000 0.109 0.000 0.833 153 D CB -0.055 40.854 40.800 0.182 0.000 0.961 153 D HN 0.257 nan 8.370 nan 0.000 0.470 154 A N 0.476 123.355 122.820 0.099 0.000 1.902 154 A HA -0.245 4.075 4.320 0.000 0.000 0.217 154 A C 2.266 179.905 177.584 0.091 0.000 1.181 154 A CA 1.796 53.884 52.037 0.085 0.000 0.623 154 A CB -0.896 18.141 19.000 0.062 0.000 0.818 154 A HN 0.419 nan 8.150 nan 0.000 0.443 155 E N -0.156 120.080 120.200 0.061 0.000 2.072 155 E HA -0.079 4.271 4.350 0.000 0.000 0.191 155 E C 2.147 178.793 176.600 0.077 0.000 0.985 155 E CA 0.924 57.363 56.400 0.066 0.000 0.801 155 E CB -0.258 29.445 29.700 0.006 0.000 0.750 155 E HN 0.504 nan 8.360 nan 0.000 0.452 156 A N 1.363 124.184 122.820 0.001 0.000 1.908 156 A HA -0.182 4.138 4.320 0.000 0.000 0.218 156 A C 2.154 179.775 177.584 0.062 0.000 1.181 156 A CA 1.383 53.386 52.037 -0.058 0.000 0.627 156 A CB -0.711 18.099 19.000 -0.318 0.000 0.818 156 A HN 0.396 nan 8.150 nan 0.000 0.445 157 L N -0.629 120.685 121.223 0.151 0.000 2.012 157 L HA -0.191 4.149 4.340 0.000 0.000 0.210 157 L C 2.352 179.314 176.870 0.153 0.000 1.073 157 L CA 2.980 57.967 54.840 0.244 0.000 0.748 157 L CB -1.043 41.160 42.059 0.241 0.000 0.891 157 L HN 0.639 nan 8.230 nan 0.000 0.431 158 H N -1.476 117.632 119.070 0.064 0.000 2.319 158 H HA -0.270 4.286 4.556 0.000 0.000 0.299 158 H C 1.940 177.274 175.328 0.009 0.000 1.092 158 H CA 2.452 58.521 56.048 0.036 0.000 1.302 158 H CB -0.556 29.226 29.762 0.033 0.000 1.373 158 H HN 0.411 nan 8.280 nan 0.000 0.497 159 F N -0.185 119.598 119.950 -0.278 0.000 2.102 159 F HA -0.178 4.349 4.527 0.000 0.000 0.298 159 F C 1.701 177.164 175.800 -0.562 0.000 1.105 159 F CA 1.544 59.268 58.000 -0.461 0.000 1.239 159 F CB -0.717 38.018 39.000 -0.442 0.000 0.991 159 F HN 0.200 nan 8.300 nan 0.000 0.474 160 Y N -0.382 119.671 120.300 -0.412 0.000 2.243 160 Y HA -0.053 4.497 4.550 0.000 0.000 0.293 160 Y C 2.752 178.439 175.900 -0.355 0.000 1.124 160 Y CA 1.755 59.492 58.100 -0.605 0.000 1.159 160 Y CB -0.550 37.220 38.460 -1.150 0.000 1.008 160 Y HN -0.044 nan 8.280 nan 0.000 0.527 161 R N 0.281 120.711 120.500 -0.117 0.000 2.052 161 R HA -0.098 4.242 4.340 0.000 0.000 0.224 161 R C 1.430 177.684 176.300 -0.076 0.000 1.149 161 R CA 1.746 57.877 56.100 0.051 0.000 0.962 161 R CB -0.214 30.213 30.300 0.211 0.000 0.856 161 R HN 0.159 nan 8.270 nan 0.000 0.433 162 D N 0.066 120.369 120.400 -0.162 0.000 2.149 162 D HA -0.086 4.554 4.640 0.000 0.000 0.201 162 D C 1.949 178.066 176.300 -0.306 0.000 0.972 162 D CA 1.031 54.910 54.000 -0.201 0.000 0.835 162 D CB 0.056 40.755 40.800 -0.168 0.000 0.966 162 D HN 0.129 nan 8.370 nan 0.000 0.476 163 V N 0.621 120.242 119.914 -0.489 0.000 2.341 163 V HA -0.035 4.085 4.120 0.000 0.000 0.240 163 V C 2.465 178.269 176.094 -0.483 0.000 1.035 163 V CA 0.754 62.748 62.300 -0.509 0.000 1.033 163 V CB -0.251 31.170 31.823 -0.671 0.000 0.678 163 V HN 0.112 nan 8.190 nan 0.000 0.464 164 L N 0.286 121.169 121.223 -0.567 0.000 2.341 164 L HA 0.260 4.600 4.340 0.000 0.000 0.214 164 L C 1.751 178.469 176.870 -0.254 0.000 1.115 164 L CA 1.049 55.635 54.840 -0.423 0.000 0.820 164 L CB -0.413 41.395 42.059 -0.419 0.000 0.944 164 L HN 0.647 nan 8.230 nan 0.000 0.452 165 G N -0.200 108.496 108.800 -0.173 0.000 2.132 165 G HA2 -0.282 3.678 3.960 0.000 0.000 0.234 165 G HA3 -0.282 3.678 3.960 0.000 0.000 0.234 165 G C 0.115 174.961 174.900 -0.091 0.000 0.989 165 G CA -0.452 44.571 45.100 -0.129 0.000 0.676 165 G HN 0.111 nan 8.290 nan 0.000 0.522 166 F N 0.435 120.319 119.950 -0.111 0.000 2.545 166 F HA 0.513 5.040 4.527 0.000 0.000 0.348 166 F C 1.466 177.327 175.800 0.102 0.000 1.163 166 F CA 0.124 58.123 58.000 -0.001 0.000 1.331 166 F CB 0.506 39.528 39.000 0.035 0.000 1.138 166 F HN 0.038 nan 8.300 nan 0.000 0.602 167 R N 1.817 122.495 120.500 0.298 0.000 2.349 167 R HA 0.402 4.742 4.340 0.000 0.000 0.299 167 R C -1.070 175.398 176.300 0.280 0.000 1.027 167 R CA -0.902 55.334 56.100 0.228 0.000 0.958 167 R CB 0.718 31.084 30.300 0.111 0.000 1.047 167 R HN 0.436 nan 8.270 nan 0.000 0.468 168 L N 3.357 124.703 121.223 0.205 0.000 2.418 168 L HA 0.107 4.447 4.340 0.000 0.000 0.274 168 L C 0.575 177.467 176.870 0.037 0.000 1.135 168 L CA 0.801 55.647 54.840 0.010 0.000 0.870 168 L CB 0.463 42.524 42.059 0.003 0.000 1.154 168 L HN 0.576 nan 8.230 nan 0.000 0.462 169 R N 2.249 122.714 120.500 -0.058 0.000 2.221 169 R HA 0.302 4.642 4.340 0.000 0.000 0.195 169 R C -0.342 176.100 176.300 0.237 0.000 0.956 169 R CA 0.173 56.273 56.100 0.001 0.000 1.064 169 R CB 0.147 30.188 30.300 -0.431 0.000 1.049 169 R HN 0.794 nan 8.270 nan 0.000 0.534 170 D N -1.262 119.216 120.400 0.130 0.000 2.648 170 D HA 0.295 4.935 4.640 0.000 0.000 0.244 170 D C -1.589 174.853 176.300 0.236 0.000 1.244 170 D CA -0.209 53.919 54.000 0.213 0.000 0.772 170 D CB 1.750 42.651 40.800 0.168 0.000 1.379 170 D HN -0.172 nan 8.370 nan 0.000 0.428 171 S N 0.888 116.732 115.700 0.240 0.000 2.546 171 S HA 0.731 5.201 4.470 0.000 0.000 0.274 171 S C -0.986 173.869 174.600 0.426 0.000 1.121 171 S CA -0.754 57.629 58.200 0.305 0.000 0.887 171 S CB 1.446 64.715 63.200 0.115 0.000 1.094 171 S HN 0.466 nan 8.310 nan 0.000 0.474 172 M N 2.178 122.065 119.600 0.479 0.000 2.386 172 M HA 0.465 4.945 4.480 0.000 0.000 0.293 172 M C -0.495 175.885 176.300 0.133 0.000 1.120 172 M CA -0.520 54.970 55.300 0.317 0.000 0.909 172 M CB 2.492 35.241 32.600 0.249 0.000 1.661 172 M HN 0.572 nan 8.290 nan 0.000 0.452 173 R N 2.295 122.678 120.500 -0.196 0.000 2.459 173 R HA 0.711 5.051 4.340 0.000 0.000 0.281 173 R C -1.871 174.178 176.300 -0.418 0.000 1.050 173 R CA -0.433 55.201 56.100 -0.777 0.000 1.055 173 R CB 0.811 30.579 30.300 -0.887 0.000 1.045 173 R HN 0.589 nan 8.270 nan 0.000 0.495 174 L N 5.234 126.186 121.223 -0.452 0.000 2.346 174 L HA 0.488 4.828 4.340 0.000 0.000 0.274 174 L C -2.187 174.533 176.870 -0.250 0.000 1.007 174 L CA -2.303 52.378 54.840 -0.264 0.000 0.818 174 L CB 1.655 43.602 42.059 -0.186 0.000 1.284 174 L HN 0.630 nan 8.230 nan 0.000 0.424 175 P HA 0.020 nan 4.420 nan 0.000 0.264 175 P C -1.879 175.356 177.300 -0.109 0.000 1.183 175 P CA -0.802 62.222 63.100 -0.125 0.000 0.763 175 P CB 0.115 31.764 31.700 -0.086 0.000 0.807 176 P HA -0.257 nan 4.420 nan 0.000 0.216 176 P C 1.274 178.544 177.300 -0.051 0.000 1.150 176 P CA 1.738 64.797 63.100 -0.068 0.000 0.843 176 P CB -0.164 31.506 31.700 -0.049 0.000 0.787 177 Q N -0.696 119.076 119.800 -0.046 0.000 2.297 177 Q HA -0.086 4.254 4.340 0.000 0.000 0.204 177 Q C 2.135 178.114 176.000 -0.035 0.000 0.962 177 Q CA 0.949 56.732 55.803 -0.034 0.000 0.879 177 Q CB -0.999 27.722 28.738 -0.029 0.000 0.947 177 Q HN 0.278 nan 8.270 nan 0.000 0.462 178 M N 1.516 121.088 119.600 -0.047 0.000 2.296 178 M HA -0.079 4.402 4.480 0.000 0.000 0.265 178 M C 0.980 177.256 176.300 -0.040 0.000 1.064 178 M CA 1.154 56.426 55.300 -0.047 0.000 1.109 178 M CB 0.313 32.875 32.600 -0.064 0.000 1.396 178 M HN 0.177 nan 8.290 nan 0.000 0.430 179 V N -2.712 117.177 119.914 -0.041 0.000 2.933 179 V HA 0.497 4.617 4.120 0.000 0.000 0.374 179 V C 0.826 176.908 176.094 -0.021 0.000 1.321 179 V CA 0.058 62.340 62.300 -0.029 0.000 1.290 179 V CB -1.092 30.713 31.823 -0.031 0.000 1.346 179 V HN 0.574 nan 8.190 nan 0.000 0.560 180 G N 1.578 110.366 108.800 -0.020 0.000 2.309 180 G HA2 -0.334 3.626 3.960 0.000 0.000 0.286 180 G HA3 -0.334 3.626 3.960 0.000 0.000 0.286 180 G C 0.476 175.369 174.900 -0.013 0.000 1.002 180 G CA 0.995 46.087 45.100 -0.014 0.000 0.786 180 G HN 0.719 nan 8.290 nan 0.000 0.511 181 R N 0.241 120.731 120.500 -0.017 0.000 2.577 181 R HA 0.439 4.779 4.340 0.000 0.000 0.269 181 R C -2.110 174.181 176.300 -0.014 0.000 1.084 181 R CA -1.676 54.416 56.100 -0.014 0.000 1.163 181 R CB 0.194 30.485 30.300 -0.016 0.000 1.100 181 R HN 0.078 nan 8.270 nan 0.000 0.547 182 P HA -0.067 nan 4.420 nan 0.000 0.265 182 P C -0.195 177.097 177.300 -0.014 0.000 1.187 182 P CA 0.318 63.412 63.100 -0.010 0.000 0.766 182 P CB 0.578 32.274 31.700 -0.006 0.000 0.820 183 A N 2.732 125.543 122.820 -0.014 0.000 2.234 183 A HA -0.168 4.152 4.320 0.000 0.000 0.216 183 A C 0.868 178.443 177.584 -0.016 0.000 1.167 183 A CA 1.760 53.787 52.037 -0.018 0.000 0.698 183 A CB -1.050 17.941 19.000 -0.015 0.000 0.779 183 A HN 0.667 nan 8.150 nan 0.000 0.475 184 D N -2.331 118.063 120.400 -0.011 0.000 2.513 184 D HA 0.335 4.975 4.640 0.000 0.000 0.222 184 D C 0.809 177.106 176.300 -0.005 0.000 1.210 184 D CA 0.317 54.312 54.000 -0.008 0.000 0.825 184 D CB -0.425 40.373 40.800 -0.004 0.000 1.037 184 D HN 0.232 nan 8.370 nan 0.000 0.506 185 G N 1.030 109.825 108.800 -0.008 0.000 2.621 185 G HA2 0.462 4.422 3.960 0.000 0.000 0.271 185 G HA3 0.462 4.422 3.960 0.000 0.000 0.271 185 G C -2.296 172.599 174.900 -0.008 0.000 1.236 185 G CA -1.200 43.898 45.100 -0.005 0.000 0.958 185 G HN 0.014 nan 8.290 nan 0.000 0.512 186 P HA 0.255 nan 4.420 nan 0.000 0.279 186 P C -2.473 174.807 177.300 -0.034 0.000 1.239 186 P CA -1.357 61.749 63.100 0.009 0.000 0.789 186 P CB 0.857 32.585 31.700 0.047 0.000 0.933 187 P HA 0.030 nan 4.420 nan 0.000 0.266 187 P C -0.301 176.840 177.300 -0.266 0.000 1.193 187 P CA 0.257 63.211 63.100 -0.243 0.000 0.770 187 P CB 0.527 31.979 31.700 -0.414 0.000 0.836 188 A N 2.450 125.090 122.820 -0.299 0.000 2.247 188 A HA 0.674 4.994 4.320 0.000 0.000 0.313 188 A C -1.255 176.041 177.584 -0.479 0.000 1.109 188 A CA -0.568 51.348 52.037 -0.202 0.000 0.890 188 A CB 0.569 19.525 19.000 -0.073 0.000 1.239 188 A HN 0.607 nan 8.150 nan 0.000 0.506 189 W N -0.496 120.803 121.300 -0.002 0.000 2.968 189 W HA 0.463 5.123 4.660 0.000 0.000 0.337 189 W C -0.682 175.817 176.519 -0.035 0.000 1.060 189 W CA -0.228 57.113 57.345 -0.007 0.000 1.240 189 W CB 1.651 31.116 29.460 0.008 0.000 1.370 189 W HN 0.572 nan 8.180 nan 0.000 0.459 190 L N 5.484 126.794 121.223 0.145 0.000 2.278 190 L HA 0.510 4.850 4.340 0.000 0.000 0.287 190 L C -0.098 176.701 176.870 -0.118 0.000 1.072 190 L CA -0.169 54.638 54.840 -0.055 0.000 0.819 190 L CB 0.166 42.151 42.059 -0.124 0.000 1.176 190 L HN 0.511 nan 8.230 nan 0.000 0.435 191 R N 4.924 125.286 120.500 -0.230 0.000 2.562 191 R HA 0.487 4.827 4.340 0.000 0.000 0.298 191 R C -1.503 174.361 176.300 -0.727 0.000 0.961 191 R CA -0.542 55.348 56.100 -0.351 0.000 0.881 191 R CB 1.934 32.097 30.300 -0.229 0.000 1.159 191 R HN 0.395 nan 8.270 nan 0.000 0.450 192 F N 2.671 122.252 119.950 -0.615 0.000 2.444 192 F HA 0.460 4.987 4.527 0.000 0.000 0.342 192 F C -0.321 175.064 175.800 -0.691 0.000 1.121 192 F CA -0.605 57.044 58.000 -0.586 0.000 0.997 192 F CB 1.086 39.758 39.000 -0.548 0.000 1.130 192 F HN 0.299 nan 8.300 nan 0.000 0.454 193 F N 1.086 121.064 119.950 0.048 0.000 2.520 193 F HA 0.724 5.251 4.527 0.000 0.000 0.322 193 F C 0.474 176.386 175.800 0.187 0.000 1.103 193 F CA -0.997 57.045 58.000 0.070 0.000 0.926 193 F CB 2.108 41.039 39.000 -0.115 0.000 1.154 193 F HN 0.525 nan 8.300 nan 0.000 0.453 194 G N -0.208 108.810 108.800 0.363 0.000 2.453 194 G HA2 0.504 4.464 3.960 0.000 0.000 0.323 194 G HA3 0.504 4.464 3.960 0.000 0.000 0.323 194 G C -0.255 174.772 174.900 0.211 0.000 1.198 194 G CA -0.703 44.537 45.100 0.234 0.000 0.959 194 G HN 0.986 nan 8.290 nan 0.000 0.482 195 C N -0.469 118.880 119.300 0.082 0.000 3.911 195 C HA 0.497 4.957 4.460 0.000 0.000 0.318 195 C C 0.266 175.207 174.990 -0.080 0.000 1.643 195 C CA -0.428 58.508 59.018 -0.138 0.000 1.845 195 C CB -1.518 26.011 27.740 -0.352 0.000 2.981 195 C HN 0.852 nan 8.230 nan 0.000 0.656 196 N N -0.417 118.266 118.700 -0.028 0.000 3.364 196 N HA 0.507 5.247 4.740 0.000 0.000 0.294 196 N C -2.848 172.633 175.510 -0.048 0.000 1.562 196 N CA -1.118 51.912 53.050 -0.033 0.000 0.862 196 N CB -0.068 38.411 38.487 -0.013 0.000 1.691 196 N HN -0.275 nan 8.380 nan 0.000 0.572 197 P HA -0.108 nan 4.420 nan 0.000 0.219 197 P C -0.226 177.031 177.300 -0.073 0.000 1.146 197 P CA 0.907 63.970 63.100 -0.061 0.000 0.808 197 P CB 0.115 31.796 31.700 -0.032 0.000 0.779 198 R N -0.270 120.206 120.500 -0.040 0.000 2.504 198 R HA -0.128 4.212 4.340 0.000 0.000 0.291 198 R C 1.529 177.798 176.300 -0.052 0.000 0.974 198 R CA 0.323 56.407 56.100 -0.026 0.000 1.077 198 R CB -0.228 30.072 30.300 0.001 0.000 0.926 198 R HN 0.200 nan 8.270 nan 0.000 0.407 199 H N 3.650 122.633 119.070 -0.146 0.000 2.325 199 H HA -0.211 4.345 4.556 0.000 0.000 0.293 199 H C 0.038 175.336 175.328 -0.050 0.000 1.106 199 H CA 2.489 58.416 56.048 -0.201 0.000 1.247 199 H CB 0.113 29.782 29.762 -0.156 0.000 1.359 199 H HN 0.707 nan 8.280 nan 0.000 0.488 200 H N -3.266 115.810 119.070 0.010 0.000 2.930 200 H HA 0.384 4.940 4.556 0.000 0.000 0.371 200 H C -0.240 175.185 175.328 0.161 0.000 1.169 200 H CA -0.299 55.761 56.048 0.020 0.000 1.157 200 H CB 1.673 31.462 29.762 0.044 0.000 1.789 200 H HN 0.111 nan 8.280 nan 0.000 0.547 201 S N 1.530 117.406 115.700 0.293 0.000 2.511 201 S HA 0.243 4.713 4.470 0.000 0.000 0.214 201 S C 0.410 175.247 174.600 0.395 0.000 0.997 201 S CA -0.272 58.145 58.200 0.362 0.000 0.908 201 S CB 0.259 63.770 63.200 0.519 0.000 0.803 201 S HN 0.495 nan 8.310 nan 0.000 0.504 202 L N 0.758 122.154 121.223 0.289 0.000 2.592 202 L HA 0.673 5.013 4.340 0.000 0.000 0.258 202 L C -2.034 174.767 176.870 -0.115 0.000 0.926 202 L CA -0.378 54.473 54.840 0.018 0.000 0.885 202 L CB 1.885 43.837 42.059 -0.178 0.000 1.380 202 L HN 0.095 nan 8.230 nan 0.000 0.415 203 A N 3.126 125.677 122.820 -0.449 0.000 2.556 203 A HA 0.864 5.184 4.320 0.000 0.000 0.294 203 A C -2.047 175.004 177.584 -0.887 0.000 1.091 203 A CA -0.363 51.316 52.037 -0.598 0.000 0.704 203 A CB 1.734 20.216 19.000 -0.862 0.000 1.300 203 A HN 0.485 nan 8.150 nan 0.000 0.406 204 F N 0.705 120.490 119.950 -0.275 0.000 2.499 204 F HA 0.499 5.026 4.527 0.000 0.000 0.333 204 F C -0.305 175.386 175.800 -0.182 0.000 1.138 204 F CA -0.466 57.420 58.000 -0.189 0.000 0.945 204 F CB 2.066 40.997 39.000 -0.114 0.000 1.181 204 F HN 0.453 nan 8.300 nan 0.000 0.435 205 L N 7.564 128.778 121.223 -0.015 0.000 2.265 205 L HA 0.542 4.882 4.340 0.000 0.000 0.288 205 L C -2.104 174.786 176.870 0.035 0.000 1.058 205 L CA -2.103 52.719 54.840 -0.030 0.000 0.809 205 L CB 0.842 42.864 42.059 -0.060 0.000 1.179 205 L HN 0.209 nan 8.230 nan 0.000 0.429 206 P HA 0.142 nan 4.420 nan 0.000 0.228 206 P C -1.005 176.302 177.300 0.011 0.000 1.748 206 P CA 0.303 63.423 63.100 0.034 0.000 0.909 206 P CB -0.247 31.477 31.700 0.040 0.000 1.882 207 M N 1.374 120.981 119.600 0.010 0.000 2.484 207 M HA 0.448 4.928 4.480 0.000 0.000 0.289 207 M C -2.795 173.512 176.300 0.013 0.000 1.206 207 M CA -2.428 52.873 55.300 0.003 0.000 0.892 207 M CB 3.442 36.036 32.600 -0.010 0.000 1.712 207 M HN -0.218 nan 8.290 nan 0.000 0.462 208 P HA 0.380 nan 4.420 nan 0.000 0.281 208 P C -1.131 176.186 177.300 0.029 0.000 1.249 208 P CA -0.236 62.877 63.100 0.020 0.000 0.810 208 P CB 0.936 32.646 31.700 0.016 0.000 1.008 209 T N -2.759 111.816 114.554 0.036 0.000 2.906 209 T HA 0.282 4.632 4.350 0.000 0.000 0.295 209 T C 1.034 175.769 174.700 0.057 0.000 1.061 209 T CA -0.542 61.591 62.100 0.054 0.000 1.000 209 T CB 1.337 70.245 68.868 0.066 0.000 1.103 209 T HN 0.238 nan 8.240 nan 0.000 0.486 210 S N 1.096 116.843 115.700 0.078 0.000 2.359 210 S HA -0.150 4.321 4.470 0.000 0.000 0.224 210 S C 2.080 176.733 174.600 0.088 0.000 1.035 210 S CA 2.107 60.357 58.200 0.084 0.000 1.018 210 S CB -0.793 62.470 63.200 0.105 0.000 0.876 210 S HN 0.934 nan 8.310 nan 0.000 0.448 211 S N -0.771 115.000 115.700 0.118 0.000 2.501 211 S HA 0.356 4.826 4.470 0.000 0.000 0.220 211 S C 1.664 176.267 174.600 0.006 0.000 0.997 211 S CA 0.991 59.253 58.200 0.104 0.000 0.919 211 S CB -0.120 63.210 63.200 0.217 0.000 0.778 211 S HN 1.198 nan 8.310 nan 0.000 0.523 212 G N 0.990 109.793 108.800 0.005 0.000 2.217 212 G HA2 -0.221 3.739 3.960 0.000 0.000 0.246 212 G HA3 -0.221 3.739 3.960 0.000 0.000 0.246 212 G C -0.005 174.858 174.900 -0.061 0.000 0.990 212 G CA 0.211 45.298 45.100 -0.021 0.000 0.627 212 G HN 0.588 nan 8.290 nan 0.000 0.522 213 I N 1.203 121.708 120.570 -0.108 0.000 2.354 213 I HA 0.392 4.562 4.170 0.000 0.000 0.292 213 I C 1.609 177.733 176.117 0.013 0.000 0.989 213 I CA -1.028 60.168 61.300 -0.174 0.000 1.188 213 I CB 1.797 39.438 38.000 -0.597 0.000 1.342 213 I HN -0.105 nan 8.210 nan 0.000 0.457 214 V N 4.830 124.759 119.914 0.026 0.000 2.374 214 V HA -0.010 4.111 4.120 0.000 0.000 0.241 214 V C 0.438 176.730 176.094 0.330 0.000 1.034 214 V CA 1.028 63.413 62.300 0.142 0.000 1.037 214 V CB -0.464 31.403 31.823 0.073 0.000 0.682 214 V HN 0.844 nan 8.190 nan 0.000 0.463 215 H N -1.159 118.031 119.070 0.199 0.000 3.064 215 H HA 0.549 5.105 4.556 0.000 0.000 0.352 215 H C -1.878 173.575 175.328 0.209 0.000 1.260 215 H CA -1.080 55.145 56.048 0.295 0.000 1.160 215 H CB 2.087 32.106 29.762 0.428 0.000 1.879 215 H HN 0.169 nan 8.280 nan 0.000 0.544 216 L N 3.423 124.850 121.223 0.339 0.000 2.313 216 L HA 0.436 4.776 4.340 0.000 0.000 0.283 216 L C -0.657 176.328 176.870 0.192 0.000 1.013 216 L CA -0.628 54.324 54.840 0.186 0.000 0.816 216 L CB 1.576 43.764 42.059 0.214 0.000 1.236 216 L HN 0.710 nan 8.230 nan 0.000 0.419 217 M N 6.855 126.469 119.600 0.024 0.000 2.180 217 M HA 0.494 4.974 4.480 0.000 0.000 0.350 217 M C -1.258 174.889 176.300 -0.255 0.000 1.125 217 M CA -0.644 54.538 55.300 -0.197 0.000 1.031 217 M CB 1.257 33.474 32.600 -0.638 0.000 1.623 217 M HN 0.540 nan 8.290 nan 0.000 0.451 218 V N 2.816 122.594 119.914 -0.227 0.000 2.715 218 V HA 0.699 4.819 4.120 0.000 0.000 0.310 218 V C -0.758 175.124 176.094 -0.353 0.000 1.054 218 V CA -0.804 61.344 62.300 -0.253 0.000 0.928 218 V CB 1.843 33.546 31.823 -0.199 0.000 1.007 218 V HN 0.942 nan 8.190 nan 0.000 0.437 219 E N 2.140 122.202 120.200 -0.231 0.000 2.199 219 E HA 0.702 5.052 4.350 0.000 0.000 0.269 219 E C -0.872 175.623 176.600 -0.176 0.000 0.899 219 E CA -0.802 55.452 56.400 -0.243 0.000 0.772 219 E CB 2.252 31.857 29.700 -0.158 0.000 1.155 219 E HN 0.980 nan 8.360 nan 0.000 0.408 220 V N 0.853 120.573 119.914 -0.324 0.000 3.103 220 V HA 0.404 4.524 4.120 0.000 0.000 0.318 220 V C 0.894 176.908 176.094 -0.133 0.000 1.114 220 V CA -0.489 61.637 62.300 -0.290 0.000 1.020 220 V CB 1.690 33.231 31.823 -0.470 0.000 1.085 220 V HN 0.860 nan 8.190 nan 0.000 0.446 221 E N -0.003 120.150 120.200 -0.077 0.000 2.106 221 E HA -0.053 4.297 4.350 0.000 0.000 0.192 221 E C 0.348 176.942 176.600 -0.009 0.000 0.984 221 E CA 1.198 57.583 56.400 -0.026 0.000 0.806 221 E CB 0.145 29.843 29.700 -0.004 0.000 0.750 221 E HN 0.738 nan 8.360 nan 0.000 0.458 222 Q N -1.736 118.065 119.800 0.000 0.000 2.413 222 Q HA 0.453 4.793 4.340 0.000 0.000 0.276 222 Q C 0.213 176.238 176.000 0.041 0.000 1.099 222 Q CA -0.298 55.520 55.803 0.025 0.000 0.814 222 Q CB 1.881 30.641 28.738 0.036 0.000 1.379 222 Q HN 0.049 nan 8.270 nan 0.000 0.436 223 A N 1.556 124.409 122.820 0.055 0.000 1.917 223 A HA -0.258 4.063 4.320 0.000 0.000 0.219 223 A C 1.185 178.819 177.584 0.083 0.000 1.182 223 A CA 2.250 54.334 52.037 0.079 0.000 0.633 223 A CB -0.386 18.664 19.000 0.083 0.000 0.819 223 A HN 0.798 nan 8.150 nan 0.000 0.448 224 D N 0.319 120.758 120.400 0.065 0.000 2.149 224 D HA -0.129 4.511 4.640 0.000 0.000 0.198 224 D C 1.399 177.749 176.300 0.082 0.000 0.990 224 D CA 1.390 55.427 54.000 0.062 0.000 0.839 224 D CB -0.379 40.451 40.800 0.050 0.000 0.948 224 D HN 0.464 nan 8.370 nan 0.000 0.460 225 D N 0.081 120.540 120.400 0.098 0.000 2.097 225 D HA -0.105 4.535 4.640 0.000 0.000 0.195 225 D C 2.331 178.756 176.300 0.207 0.000 0.989 225 D CA 0.522 54.605 54.000 0.138 0.000 0.827 225 D CB -0.335 40.520 40.800 0.092 0.000 0.966 225 D HN 0.112 nan 8.370 nan 0.000 0.456 226 V N 1.306 121.365 119.914 0.242 0.000 2.287 226 V HA -0.187 3.933 4.120 0.000 0.000 0.248 226 V C 2.625 178.857 176.094 0.231 0.000 1.053 226 V CA 2.144 64.672 62.300 0.381 0.000 1.027 226 V CB -1.130 30.889 31.823 0.326 0.000 0.646 226 V HN 0.251 nan 8.190 nan 0.000 0.447 227 G N -0.447 108.419 108.800 0.110 0.000 2.418 227 G HA2 -0.195 3.765 3.960 0.000 0.000 0.217 227 G HA3 -0.195 3.765 3.960 0.000 0.000 0.217 227 G C 1.618 176.484 174.900 -0.056 0.000 1.158 227 G CA 0.885 45.988 45.100 0.005 0.000 0.771 227 G HN 0.461 nan 8.290 nan 0.000 0.545 228 L N -0.132 121.082 121.223 -0.016 0.000 2.056 228 L HA -0.083 4.257 4.340 0.000 0.000 0.207 228 L C 2.994 179.779 176.870 -0.143 0.000 1.078 228 L CA 0.956 55.764 54.840 -0.053 0.000 0.749 228 L CB -0.484 41.582 42.059 0.011 0.000 0.901 228 L HN 0.399 nan 8.230 nan 0.000 0.433 229 C N -0.115 119.093 119.300 -0.154 0.000 2.432 229 C HA -0.153 4.308 4.460 0.000 0.000 0.277 229 C C 2.778 177.597 174.990 -0.285 0.000 1.249 229 C CA 0.734 59.557 59.018 -0.326 0.000 1.725 229 C CB -0.696 26.608 27.740 -0.726 0.000 2.028 229 C HN 0.522 nan 8.230 nan 0.000 0.477 230 L N 1.545 122.540 121.223 -0.381 0.000 2.043 230 L HA -0.141 4.199 4.340 0.000 0.000 0.212 230 L C 2.037 178.661 176.870 -0.409 0.000 1.075 230 L CA 2.494 56.870 54.840 -0.774 0.000 0.752 230 L CB -1.115 40.322 42.059 -1.037 0.000 0.891 230 L HN 0.327 nan 8.230 nan 0.000 0.432 231 D N -0.768 119.465 120.400 -0.279 0.000 2.117 231 D HA -0.147 4.494 4.640 0.000 0.000 0.197 231 D C 2.342 178.530 176.300 -0.185 0.000 0.987 231 D CA 1.092 54.974 54.000 -0.197 0.000 0.829 231 D CB -0.080 40.635 40.800 -0.143 0.000 0.961 231 D HN 0.375 nan 8.370 nan 0.000 0.460 232 R N 0.533 120.900 120.500 -0.223 0.000 2.073 232 R HA -0.049 4.291 4.340 0.000 0.000 0.234 232 R C 2.278 178.471 176.300 -0.179 0.000 1.134 232 R CA 1.282 57.243 56.100 -0.232 0.000 0.952 232 R CB -0.336 29.745 30.300 -0.363 0.000 0.850 232 R HN 0.105 nan 8.270 nan 0.000 0.433 233 A N 1.336 124.048 122.820 -0.180 0.000 1.902 233 A HA -0.136 4.184 4.320 0.000 0.000 0.217 233 A C 2.231 179.765 177.584 -0.084 0.000 1.181 233 A CA 1.207 53.185 52.037 -0.098 0.000 0.623 233 A CB -0.563 18.418 19.000 -0.032 0.000 0.818 233 A HN 0.171 nan 8.150 nan 0.000 0.443 234 L N -1.442 119.705 121.223 -0.127 0.000 2.046 234 L HA -0.167 4.173 4.340 0.000 0.000 0.208 234 L C 2.773 179.598 176.870 -0.076 0.000 1.077 234 L CA 1.718 56.497 54.840 -0.101 0.000 0.747 234 L CB -0.428 41.555 42.059 -0.126 0.000 0.896 234 L HN 0.369 nan 8.230 nan 0.000 0.432 235 R N 0.268 120.718 120.500 -0.084 0.000 2.091 235 R HA -0.115 4.225 4.340 0.000 0.000 0.238 235 R C 2.042 178.313 176.300 -0.048 0.000 1.136 235 R CA 1.359 57.421 56.100 -0.064 0.000 0.959 235 R CB 0.006 30.262 30.300 -0.072 0.000 0.856 235 R HN 0.258 nan 8.270 nan 0.000 0.437 236 R N -0.010 120.461 120.500 -0.049 0.000 2.334 236 R HA 0.074 4.414 4.340 0.000 0.000 0.220 236 R C -0.058 176.231 176.300 -0.019 0.000 0.917 236 R CA 0.038 56.121 56.100 -0.028 0.000 1.073 236 R CB 0.419 30.706 30.300 -0.022 0.000 1.056 236 R HN -0.031 nan 8.270 nan 0.000 0.506 237 K N -0.269 120.115 120.400 -0.027 0.000 3.129 237 K HA -0.124 4.196 4.320 0.000 0.000 0.273 237 K C -0.598 175.992 176.600 -0.018 0.000 1.123 237 K CA 0.425 56.698 56.287 -0.024 0.000 0.800 237 K CB -1.861 30.625 32.500 -0.023 0.000 1.238 237 K HN -0.004 nan 8.250 nan 0.000 0.492 238 V N 1.418 121.331 119.914 -0.002 0.000 2.540 238 V HA 0.066 4.186 4.120 0.000 0.000 0.297 238 V C -1.641 174.458 176.094 0.008 0.000 1.024 238 V CA -0.982 61.328 62.300 0.017 0.000 1.105 238 V CB 0.414 32.300 31.823 0.105 0.000 0.938 238 V HN 0.094 nan 8.190 nan 0.000 0.482 239 P HA 0.115 nan 4.420 nan 0.000 0.266 239 P C -0.195 177.127 177.300 0.036 0.000 1.215 239 P CA -0.009 63.089 63.100 -0.002 0.000 0.763 239 P CB 0.226 31.911 31.700 -0.025 0.000 0.806 240 M N 2.295 121.919 119.600 0.041 0.000 2.217 240 M HA 0.104 4.584 4.480 0.000 0.000 0.354 240 M C 1.122 177.461 176.300 0.065 0.000 1.225 240 M CA 0.567 55.911 55.300 0.073 0.000 1.137 240 M CB 0.417 33.041 32.600 0.040 0.000 1.576 240 M HN 0.282 nan 8.290 nan 0.000 0.461 241 S N 1.144 116.896 115.700 0.087 0.000 2.564 241 S HA 0.476 4.946 4.470 0.000 0.000 0.231 241 S C 0.358 174.857 174.600 -0.169 0.000 1.067 241 S CA -0.036 58.195 58.200 0.053 0.000 0.908 241 S CB 0.706 64.002 63.200 0.160 0.000 0.809 241 S HN 0.814 nan 8.310 nan 0.000 0.491 242 A N 1.798 124.470 122.820 -0.248 0.000 2.547 242 A HA 0.623 4.943 4.320 0.000 0.000 0.297 242 A C -0.015 177.512 177.584 -0.095 0.000 1.056 242 A CA -0.766 50.970 52.037 -0.502 0.000 0.688 242 A CB 0.557 18.604 19.000 -1.588 0.000 1.282 242 A HN 0.197 nan 8.150 nan 0.000 0.400 243 T N 0.236 114.748 114.554 -0.069 0.000 2.734 243 T HA 0.431 4.781 4.350 0.000 0.000 0.314 243 T C 0.558 175.309 174.700 0.085 0.000 1.057 243 T CA -0.335 61.779 62.100 0.024 0.000 1.047 243 T CB -0.100 68.778 68.868 0.017 0.000 0.991 243 T HN 0.561 nan 8.240 nan 0.000 0.540 244 L N 1.878 123.152 121.223 0.086 0.000 2.559 244 L HA 0.444 4.785 4.340 0.000 0.000 0.282 244 L C 1.137 177.810 176.870 -0.329 0.000 1.232 244 L CA 0.717 55.575 54.840 0.029 0.000 0.885 244 L CB -0.358 41.770 42.059 0.116 0.000 1.131 244 L HN 1.111 nan 8.230 nan 0.000 0.498 245 G N 3.068 111.287 108.800 -0.969 0.000 2.606 245 G HA2 0.528 4.488 3.960 0.000 0.000 0.300 245 G HA3 0.528 4.488 3.960 0.000 0.000 0.300 245 G C -1.890 171.833 174.900 -1.962 0.000 1.360 245 G CA -0.785 43.143 45.100 -1.952 0.000 0.783 245 G HN 0.503 nan 8.290 nan 0.000 0.484 246 R N -0.153 119.230 120.500 -1.861 0.000 2.476 246 R HA 0.506 4.846 4.340 0.000 0.000 0.305 246 R C -0.703 175.340 176.300 -0.429 0.000 0.965 246 R CA -0.643 54.936 56.100 -0.868 0.000 0.867 246 R CB 0.759 30.697 30.300 -0.603 0.000 1.176 246 R HN 0.738 nan 8.270 nan 0.000 0.447 247 H N 1.584 120.678 119.070 0.040 0.000 2.771 247 H HA -0.016 4.540 4.556 0.000 0.000 0.364 247 H C 1.270 176.598 175.328 -0.001 0.000 1.133 247 H CA -0.140 55.966 56.048 0.097 0.000 1.423 247 H CB 1.369 31.201 29.762 0.116 0.000 1.425 247 H HN 0.309 nan 8.280 nan 0.000 0.606 248 V N 1.898 121.909 119.914 0.163 0.000 2.307 248 V HA -0.276 3.844 4.120 0.000 0.000 0.245 248 V C 1.988 178.075 176.094 -0.012 0.000 1.045 248 V CA 2.128 64.468 62.300 0.067 0.000 1.024 248 V CB -0.390 31.470 31.823 0.062 0.000 0.651 248 V HN 0.852 nan 8.190 nan 0.000 0.449 249 N N 1.654 120.275 118.700 -0.131 0.000 2.173 249 N HA -0.142 4.598 4.740 0.000 0.000 0.184 249 N C 1.185 176.318 175.510 -0.629 0.000 1.025 249 N CA 1.844 54.686 53.050 -0.347 0.000 0.852 249 N CB -0.660 37.517 38.487 -0.516 0.000 0.998 249 N HN 0.617 nan 8.380 nan 0.000 0.427 250 D N -0.027 120.073 120.400 -0.499 0.000 2.395 250 D HA 0.091 4.731 4.640 0.000 0.000 0.213 250 D C 0.644 176.906 176.300 -0.063 0.000 1.110 250 D CA -0.434 53.344 54.000 -0.370 0.000 0.835 250 D CB -0.389 40.303 40.800 -0.180 0.000 0.965 250 D HN 0.300 nan 8.370 nan 0.000 0.505 251 L N -1.197 120.026 121.223 -0.000 0.000 4.137 251 L HA -0.257 4.083 4.340 0.000 0.000 0.421 251 L C 0.212 177.123 176.870 0.068 0.000 1.162 251 L CA 0.044 54.914 54.840 0.050 0.000 0.978 251 L CB -1.657 40.432 42.059 0.051 0.000 1.957 251 L HN 0.211 nan 8.230 nan 0.000 0.978 252 M N 1.092 120.767 119.600 0.126 0.000 2.246 252 M HA 0.306 4.786 4.480 0.000 0.000 0.350 252 M C -0.169 176.173 176.300 0.070 0.000 1.406 252 M CA 0.174 55.550 55.300 0.126 0.000 1.089 252 M CB 0.848 33.577 32.600 0.216 0.000 1.782 252 M HN 0.155 nan 8.290 nan 0.000 0.457 253 L N 6.526 127.759 121.223 0.017 0.000 2.261 253 L HA 0.692 5.032 4.340 0.000 0.000 0.289 253 L C -0.746 176.132 176.870 0.013 0.000 1.059 253 L CA 0.505 55.320 54.840 -0.043 0.000 0.816 253 L CB 0.038 42.118 42.059 0.036 0.000 1.191 253 L HN 0.862 nan 8.230 nan 0.000 0.431 254 S N 3.806 119.520 115.700 0.024 0.000 2.588 254 S HA 0.767 5.237 4.470 0.000 0.000 0.269 254 S C -0.798 173.948 174.600 0.243 0.000 1.157 254 S CA -0.846 57.421 58.200 0.111 0.000 0.824 254 S CB 1.168 64.391 63.200 0.039 0.000 1.126 254 S HN 0.617 nan 8.310 nan 0.000 0.464 255 F N -0.880 119.127 119.950 0.095 0.000 2.611 255 F HA 0.891 5.418 4.527 0.000 0.000 0.324 255 F C -1.577 174.256 175.800 0.056 0.000 1.061 255 F CA -1.538 56.536 58.000 0.122 0.000 0.954 255 F CB 0.695 39.729 39.000 0.057 0.000 1.301 255 F HN 0.661 nan 8.300 nan 0.000 0.482 256 Y N 2.273 122.531 120.300 -0.071 0.000 2.429 256 Y HA 0.685 5.235 4.550 0.000 0.000 0.342 256 Y C 0.045 175.979 175.900 0.056 0.000 1.004 256 Y CA -1.108 56.919 58.100 -0.122 0.000 1.075 256 Y CB 2.225 40.592 38.460 -0.155 0.000 1.214 256 Y HN 0.783 nan 8.280 nan 0.000 0.455 257 M N 1.151 120.858 119.600 0.179 0.000 2.531 257 M HA 0.593 5.073 4.480 0.000 0.000 0.286 257 M C -1.735 174.633 176.300 0.114 0.000 1.232 257 M CA -1.225 54.193 55.300 0.198 0.000 0.877 257 M CB 2.201 34.977 32.600 0.292 0.000 1.726 257 M HN 0.246 nan 8.290 nan 0.000 0.463 258 K N 2.869 123.290 120.400 0.036 0.000 2.322 258 K HA 0.302 4.622 4.320 0.000 0.000 0.283 258 K C 0.096 176.492 176.600 -0.341 0.000 1.042 258 K CA 0.144 56.371 56.287 -0.101 0.000 0.958 258 K CB 1.451 33.894 32.500 -0.095 0.000 0.984 258 K HN 0.934 nan 8.250 nan 0.000 0.473 259 T N -0.173 114.036 114.554 -0.576 0.000 2.824 259 T HA 0.257 4.607 4.350 0.000 0.000 0.277 259 T C -1.722 172.300 174.700 -1.130 0.000 0.975 259 T CA -1.641 59.751 62.100 -1.181 0.000 0.966 259 T CB 0.900 69.055 68.868 -1.188 0.000 1.054 259 T HN 0.195 nan 8.240 nan 0.000 0.533 260 P HA 0.093 nan 4.420 nan 0.000 0.223 260 P C 1.385 178.330 177.300 -0.591 0.000 1.144 260 P CA 0.800 63.260 63.100 -1.066 0.000 0.783 260 P CB -0.342 30.502 31.700 -1.426 0.000 0.771 261 G N -1.482 107.024 108.800 -0.490 0.000 2.985 261 G HA2 0.233 4.193 3.960 0.000 0.000 0.209 261 G HA3 0.233 4.193 3.960 0.000 0.000 0.209 261 G C 1.226 176.119 174.900 -0.012 0.000 1.165 261 G CA 0.397 45.536 45.100 0.065 0.000 0.776 261 G HN 0.371 nan 8.290 nan 0.000 0.541 262 G N -0.489 108.174 108.800 -0.228 0.000 2.184 262 G HA2 -0.267 3.693 3.960 0.000 0.000 0.264 262 G HA3 -0.267 3.693 3.960 0.000 0.000 0.264 262 G C 0.313 175.231 174.900 0.030 0.000 0.975 262 G CA 0.580 45.636 45.100 -0.073 0.000 0.642 262 G HN 1.000 nan 8.290 nan 0.000 0.536 263 F N 0.321 120.329 119.950 0.095 0.000 2.450 263 F HA 0.819 5.346 4.527 0.000 0.000 0.328 263 F C -0.036 175.854 175.800 0.149 0.000 1.068 263 F CA -2.231 55.851 58.000 0.135 0.000 1.007 263 F CB 0.737 39.832 39.000 0.159 0.000 1.251 263 F HN -0.112 nan 8.300 nan 0.000 0.492 264 D N 1.495 122.134 120.400 0.398 0.000 2.302 264 D HA 0.367 5.007 4.640 0.000 0.000 0.248 264 D C -0.240 176.294 176.300 0.390 0.000 1.094 264 D CA 0.180 54.384 54.000 0.340 0.000 0.897 264 D CB 1.591 42.693 40.800 0.502 0.000 1.200 264 D HN 0.475 nan 8.370 nan 0.000 0.429 265 I N 1.294 122.002 120.570 0.230 0.000 2.377 265 I HA 0.118 4.288 4.170 0.000 0.000 0.293 265 I C 0.511 176.575 176.117 -0.088 0.000 0.987 265 I CA -0.632 60.783 61.300 0.192 0.000 1.185 265 I CB 1.516 39.675 38.000 0.264 0.000 1.341 265 I HN 0.204 nan 8.210 nan 0.000 0.455 266 E N 6.562 126.605 120.200 -0.261 0.000 2.167 266 E HA 0.225 4.575 4.350 0.000 0.000 0.284 266 E C -1.628 174.740 176.600 -0.386 0.000 1.016 266 E CA -0.503 55.466 56.400 -0.719 0.000 0.817 266 E CB 1.026 30.167 29.700 -0.931 0.000 1.080 266 E HN 0.402 nan 8.360 nan 0.000 0.397 267 F N 4.168 123.711 119.950 -0.678 0.000 2.347 267 F HA 0.557 5.084 4.527 0.000 0.000 0.366 267 F C 0.072 175.673 175.800 -0.331 0.000 1.107 267 F CA -0.171 57.540 58.000 -0.481 0.000 1.058 267 F CB 1.158 39.794 39.000 -0.606 0.000 1.236 267 F HN 0.514 nan 8.300 nan 0.000 0.456 268 G N 2.908 111.499 108.800 -0.349 0.000 2.730 268 G HA2 0.655 4.615 3.960 0.000 0.000 0.289 268 G HA3 0.655 4.615 3.960 0.000 0.000 0.289 268 G C -1.639 173.157 174.900 -0.172 0.000 1.341 268 G CA -0.646 44.350 45.100 -0.173 0.000 0.932 268 G HN 0.945 nan 8.290 nan 0.000 0.481 269 C N -2.206 117.054 119.300 -0.067 0.000 3.291 269 C HA 0.826 5.287 4.460 0.000 0.000 0.316 269 C C 0.148 175.134 174.990 -0.006 0.000 1.391 269 C CA -0.613 58.377 59.018 -0.047 0.000 1.394 269 C CB 0.941 28.672 27.740 -0.016 0.000 1.744 269 C HN 1.061 nan 8.230 nan 0.000 0.461 270 E N -0.348 119.853 120.200 0.001 0.000 2.513 270 E HA -0.136 4.214 4.350 0.000 0.000 0.257 270 E C 0.608 177.221 176.600 0.023 0.000 1.098 270 E CA 0.743 57.155 56.400 0.021 0.000 0.752 270 E CB -1.663 28.061 29.700 0.041 0.000 1.324 270 E HN 1.249 nan 8.360 nan 0.000 0.403 271 G N 1.283 110.088 108.800 0.008 0.000 2.365 271 G HA2 0.094 4.054 3.960 0.000 0.000 0.249 271 G HA3 0.094 4.054 3.960 0.000 0.000 0.249 271 G C 0.162 175.073 174.900 0.019 0.000 1.288 271 G CA -0.354 44.754 45.100 0.014 0.000 0.887 271 G HN 0.144 nan 8.290 nan 0.000 0.524 272 R N 2.017 122.531 120.500 0.024 0.000 2.537 272 R HA 0.078 4.418 4.340 0.000 0.000 0.280 272 R C -0.337 175.970 176.300 0.013 0.000 1.058 272 R CA -0.230 55.888 56.100 0.030 0.000 1.057 272 R CB 0.413 30.735 30.300 0.036 0.000 0.973 272 R HN 0.440 nan 8.270 nan 0.000 0.438 273 Q N 2.605 122.411 119.800 0.009 0.000 2.243 273 Q HA 0.320 4.660 4.340 0.000 0.000 0.252 273 Q C -0.657 175.315 176.000 -0.047 0.000 0.909 273 Q CA -0.570 55.221 55.803 -0.019 0.000 0.922 273 Q CB 2.106 30.846 28.738 0.004 0.000 1.215 273 Q HN 0.359 nan 8.270 nan 0.000 0.427 274 V N 1.858 121.696 119.914 -0.127 0.000 2.555 274 V HA 0.260 4.380 4.120 0.000 0.000 0.302 274 V C -0.450 175.605 176.094 -0.066 0.000 1.038 274 V CA -0.810 61.371 62.300 -0.199 0.000 0.887 274 V CB 2.186 33.631 31.823 -0.629 0.000 0.991 274 V HN 0.654 nan 8.190 nan 0.000 0.434 275 D N 2.603 123.032 120.400 0.048 0.000 2.392 275 D HA 0.228 4.869 4.640 0.000 0.000 0.228 275 D C 0.497 176.868 176.300 0.119 0.000 1.074 275 D CA -0.315 53.725 54.000 0.067 0.000 0.838 275 D CB 1.765 42.616 40.800 0.084 0.000 1.067 275 D HN 0.506 nan 8.370 nan 0.000 0.511 276 D N 2.798 123.241 120.400 0.071 0.000 2.265 276 D HA -0.134 4.506 4.640 0.000 0.000 0.208 276 D C 1.624 177.993 176.300 0.116 0.000 0.977 276 D CA 0.756 54.818 54.000 0.103 0.000 0.871 276 D CB 0.292 41.120 40.800 0.046 0.000 0.925 276 D HN 0.468 nan 8.370 nan 0.000 0.485 277 R N 0.166 120.719 120.500 0.089 0.000 2.189 277 R HA -0.050 4.290 4.340 0.000 0.000 0.218 277 R C 0.962 177.311 176.300 0.082 0.000 1.074 277 R CA 0.896 57.037 56.100 0.070 0.000 0.991 277 R CB 0.256 30.586 30.300 0.049 0.000 0.883 277 R HN 0.168 nan 8.270 nan 0.000 0.457 278 D N -1.299 119.174 120.400 0.122 0.000 2.422 278 D HA -0.082 4.558 4.640 0.000 0.000 0.218 278 D C 0.195 176.578 176.300 0.138 0.000 1.047 278 D CA -0.035 54.034 54.000 0.114 0.000 0.885 278 D CB -0.111 40.769 40.800 0.134 0.000 1.035 278 D HN 0.154 nan 8.370 nan 0.000 0.502 279 W N 2.682 123.989 121.300 0.012 0.000 2.322 279 W HA 0.086 4.746 4.660 0.000 0.000 0.328 279 W C -0.710 175.814 176.519 0.008 0.000 1.395 279 W CA 0.103 57.456 57.345 0.013 0.000 1.267 279 W CB 0.538 30.002 29.460 0.007 0.000 1.259 279 W HN -0.202 nan 8.180 nan 0.000 0.560 280 I N 6.438 126.581 120.570 -0.712 0.000 2.321 280 I HA 0.185 4.355 4.170 0.000 0.000 0.291 280 I C 0.532 176.266 176.117 -0.639 0.000 0.998 280 I CA -0.835 60.159 61.300 -0.511 0.000 1.227 280 I CB 0.329 38.093 38.000 -0.393 0.000 1.368 280 I HN 0.385 nan 8.210 nan 0.000 0.466 281 A N 8.256 130.943 122.820 -0.222 0.000 2.396 281 A HA 0.579 4.899 4.320 0.000 0.000 0.279 281 A C 0.411 177.947 177.584 -0.079 0.000 1.165 281 A CA -0.237 51.773 52.037 -0.044 0.000 0.824 281 A CB 0.270 19.310 19.000 0.066 0.000 1.100 281 A HN 0.794 nan 8.150 nan 0.000 0.516 282 R N 0.846 121.316 120.500 -0.049 0.000 3.018 282 R HA 0.517 4.857 4.340 0.000 0.000 0.243 282 R C -0.724 175.596 176.300 0.034 0.000 1.315 282 R CA -0.858 55.218 56.100 -0.039 0.000 1.039 282 R CB 1.403 31.655 30.300 -0.080 0.000 1.315 282 R HN 0.819 nan 8.270 nan 0.000 0.492 283 E N 1.060 121.296 120.200 0.060 0.000 2.113 283 E HA 0.238 4.588 4.350 0.000 0.000 0.273 283 E C -1.125 175.550 176.600 0.124 0.000 0.924 283 E CA -0.308 56.180 56.400 0.147 0.000 0.764 283 E CB 1.343 31.180 29.700 0.228 0.000 1.104 283 E HN 0.385 nan 8.360 nan 0.000 0.406 284 S N 2.473 118.252 115.700 0.131 0.000 2.562 284 S HA 0.140 4.610 4.470 0.000 0.000 0.275 284 S C 0.702 175.362 174.600 0.099 0.000 1.281 284 S CA -0.313 57.942 58.200 0.091 0.000 1.045 284 S CB 1.364 64.596 63.200 0.054 0.000 0.962 284 S HN 0.720 nan 8.310 nan 0.000 0.503 285 T N -1.551 113.046 114.554 0.072 0.000 3.084 285 T HA 0.634 4.984 4.350 0.000 0.000 0.270 285 T C 0.002 174.732 174.700 0.050 0.000 1.008 285 T CA -0.112 62.023 62.100 0.058 0.000 0.900 285 T CB 0.168 69.066 68.868 0.051 0.000 1.084 285 T HN 0.657 nan 8.240 nan 0.000 0.538 286 A N 0.041 122.896 122.820 0.059 0.000 2.572 286 A HA 0.736 5.056 4.320 0.000 0.000 0.295 286 A C 0.636 178.272 177.584 0.087 0.000 1.072 286 A CA -0.574 51.503 52.037 0.067 0.000 0.691 286 A CB 1.226 20.269 19.000 0.071 0.000 1.291 286 A HN 0.013 nan 8.150 nan 0.000 0.404 287 V N 0.467 120.446 119.914 0.109 0.000 2.488 287 V HA 0.065 4.185 4.120 0.000 0.000 0.246 287 V C 0.873 177.138 176.094 0.285 0.000 1.046 287 V CA 2.090 64.499 62.300 0.181 0.000 1.053 287 V CB -0.029 31.888 31.823 0.156 0.000 0.679 287 V HN 0.764 nan 8.190 nan 0.000 0.458 288 S N -1.406 114.410 115.700 0.194 0.000 2.549 288 S HA 0.552 5.022 4.470 0.000 0.000 0.280 288 S C 0.335 174.979 174.600 0.072 0.000 1.109 288 S CA -0.628 57.652 58.200 0.134 0.000 0.905 288 S CB 2.461 65.733 63.200 0.121 0.000 1.081 288 S HN 0.094 nan 8.310 nan 0.000 0.477 289 L N 1.111 122.344 121.223 0.016 0.000 2.056 289 L HA 0.140 4.480 4.340 0.000 0.000 0.207 289 L C 0.542 177.541 176.870 0.216 0.000 1.078 289 L CA 0.987 55.890 54.840 0.105 0.000 0.749 289 L CB -0.005 42.140 42.059 0.144 0.000 0.901 289 L HN 0.665 nan 8.230 nan 0.000 0.433 290 W N -2.352 118.938 121.300 -0.016 0.000 3.066 290 W HA 0.509 5.169 4.660 -0.000 0.000 0.330 290 W C 0.238 176.702 176.519 -0.090 0.000 1.253 290 W CA -0.412 56.912 57.345 -0.035 0.000 1.187 290 W CB -0.024 29.411 29.460 -0.041 0.000 1.434 290 W HN 0.131 nan 8.180 nan 0.000 0.572 291 G N 1.042 109.992 108.800 0.249 0.000 2.569 291 G HA2 -0.343 3.617 3.960 0.000 0.000 0.259 291 G HA3 -0.343 3.617 3.960 0.000 0.000 0.259 291 G C -0.040 174.832 174.900 -0.047 0.000 1.263 291 G CA 1.063 46.207 45.100 0.073 0.000 0.928 291 G HN 1.647 nan 8.290 nan 0.000 0.572 292 H N -0.467 118.510 119.070 -0.155 0.000 2.677 292 H HA -0.132 4.424 4.556 0.000 0.000 0.321 292 H C 0.075 175.328 175.328 -0.126 0.000 1.171 292 H CA 0.681 56.596 56.048 -0.222 0.000 1.139 292 H CB -0.868 28.779 29.762 -0.193 0.000 1.515 292 H HN 0.722 nan 8.280 nan 0.000 0.423 293 D N 0.251 120.656 120.400 0.009 0.000 2.359 293 D HA 0.010 4.650 4.640 0.000 0.000 0.250 293 D C 0.501 176.779 176.300 -0.035 0.000 1.264 293 D CA -0.153 53.874 54.000 0.046 0.000 0.911 293 D CB -0.100 40.728 40.800 0.046 0.000 1.056 293 D HN 0.298 nan 8.370 nan 0.000 0.499 294 F N 1.697 121.639 119.950 -0.014 0.000 2.802 294 F HA -0.029 4.498 4.527 0.000 0.000 0.300 294 F C 2.455 178.247 175.800 -0.012 0.000 1.168 294 F CA 0.395 58.369 58.000 -0.044 0.000 1.433 294 F CB 0.219 39.160 39.000 -0.098 0.000 1.115 294 F HN 0.318 nan 8.300 nan 0.000 0.582 295 T N -0.483 114.154 114.554 0.138 0.000 3.035 295 T HA -0.092 4.258 4.350 0.000 0.000 0.268 295 T C 2.304 177.038 174.700 0.056 0.000 1.109 295 T CA 1.189 63.342 62.100 0.089 0.000 1.119 295 T CB -0.243 68.667 68.868 0.071 0.000 0.900 295 T HN 0.261 nan 8.240 nan 0.000 0.503 296 V N -0.725 119.211 119.914 0.036 0.000 2.913 296 V HA 0.270 4.390 4.120 0.000 0.000 0.260 296 V C 1.181 177.292 176.094 0.028 0.000 1.098 296 V CA 0.963 63.275 62.300 0.020 0.000 1.121 296 V CB -1.044 30.779 31.823 -0.001 0.000 0.714 296 V HN 0.323 nan 8.190 nan 0.000 0.487 297 G N 0.000 108.829 108.800 0.049 0.000 5.446 297 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 297 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 297 G CA 0.000 45.137 45.100 0.062 0.000 0.502 297 G HN 0.000 nan 8.290 nan 0.000 0.925