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 1qir_1_A DATA FIRST_RESID 5 DATA SEQUENCE MFENITAAPA DPILGLADLF RADERPGKIN LGIGVYKDET GKTPVLTSVK DATA SEQUENCE KAEQYLLENE XTTKNYLGID GIPEFGRCTQ ELLFGKGSAL INDKRARTAQ DATA SEQUENCE TPGGTGALRV AADFLAKNTS VKXXRXXXVW VSNPSWPNHK SVFNSAGLXE DATA SEQUENCE VREYAYYDAE NHTLDFDALI NSLNEAQAGD VVLFHGYCHN PTGIDPTLEQ DATA SEQUENCE WQTLAQLSVE KGWLPLFDFA YQGFARGXLE EDAEGLRAFA AMHKELIVAS DATA SEQUENCE SYSKNFGLYN ERVGACTLVA ADSETVDRAF SQMKAAIRAN YSNPPAHGAS DATA SEQUENCE VVATILSNDA LRAIWEQELT DMRQRIQRMR QLFVNTLQEK GANRDFSFII DATA SEQUENCE KQNGMFSFSG LTKEQVLRLR EEFGVYAVAS GRVNVAGMTP DNMAPLCEAI DATA SEQUENCE VXAVL 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.154 176.300 -0.244 0.000 1.140 5 M CA 0.000 55.058 55.300 -0.404 0.000 0.988 5 M CB 0.000 32.179 32.600 -0.702 0.000 1.302 6 F N -0.567 119.383 119.950 -0.001 0.000 2.695 6 F HA 0.350 nan 4.527 nan 0.000 0.303 6 F C 1.163 176.963 175.800 -0.001 0.000 1.091 6 F CA -1.375 56.625 58.000 -0.001 0.000 1.300 6 F CB -0.743 38.256 39.000 -0.001 0.000 1.071 6 F HN -0.201 7.799 8.300 -0.499 0.000 0.578 7 E N 2.485 122.756 120.200 0.118 0.000 2.097 7 E HA -0.274 nan 4.350 nan 0.000 0.196 7 E C 0.845 177.483 176.600 0.063 0.000 1.000 7 E CA 2.609 59.053 56.400 0.072 0.000 0.804 7 E CB -0.553 29.163 29.700 0.027 0.000 0.740 7 E HN 0.350 8.674 8.360 0.049 0.065 0.454 8 N N -2.569 116.167 118.700 0.060 0.000 2.276 8 N HA 0.042 nan 4.740 nan 0.000 0.212 8 N C -1.053 174.487 175.510 0.051 0.000 1.127 8 N CA -0.264 52.812 53.050 0.045 0.000 0.834 8 N CB 0.312 38.818 38.487 0.031 0.000 1.014 8 N HN 0.095 8.513 8.380 0.064 0.000 0.491 9 I N 2.759 123.373 120.570 0.073 0.000 2.533 9 I HA -0.122 nan 4.170 nan 0.000 0.284 9 I C 0.098 176.232 176.117 0.028 0.000 1.109 9 I CA 0.745 62.079 61.300 0.056 0.000 1.412 9 I CB 0.129 38.166 38.000 0.062 0.000 1.396 9 I HN -0.676 7.429 8.210 0.101 0.165 0.543 10 T N 4.123 118.687 114.554 0.016 0.000 2.899 10 T HA 0.157 nan 4.350 nan 0.000 0.284 10 T C -0.098 174.600 174.700 -0.003 0.000 1.004 10 T CA -1.068 61.036 62.100 0.007 0.000 1.043 10 T CB 0.750 69.619 68.868 0.003 0.000 1.013 10 T HN 0.020 8.269 8.240 0.016 0.000 0.518 11 A N 1.564 124.380 122.820 -0.005 0.000 2.450 11 A HA 0.118 nan 4.320 nan 0.000 0.255 11 A C 0.051 177.625 177.584 -0.015 0.000 1.096 11 A CA -0.116 51.914 52.037 -0.012 0.000 0.778 11 A CB 0.404 19.398 19.000 -0.009 0.000 1.031 11 A HN 0.326 8.475 8.150 -0.002 0.000 0.494 12 A N 4.035 126.842 122.820 -0.022 0.000 2.407 12 A HA 0.134 nan 4.320 nan 0.000 0.248 12 A C -1.629 175.941 177.584 -0.023 0.000 1.082 12 A CA -1.293 50.729 52.037 -0.025 0.000 0.785 12 A CB -0.403 18.578 19.000 -0.032 0.000 1.020 12 A HN 0.231 8.366 8.150 -0.025 0.000 0.489 13 P HA 0.024 nan 4.420 nan 0.000 0.275 13 P C -1.395 175.890 177.300 -0.026 0.000 1.227 13 P CA -0.248 62.839 63.100 -0.023 0.000 0.781 13 P CB 0.669 32.353 31.700 -0.026 0.000 0.906 14 A N 3.032 125.842 122.820 -0.018 0.000 2.483 14 A HA -0.080 nan 4.320 nan 0.000 0.238 14 A C -0.724 176.842 177.584 -0.029 0.000 1.070 14 A CA -0.173 51.854 52.037 -0.017 0.000 0.770 14 A CB 0.306 19.305 19.000 -0.001 0.000 1.008 14 A HN 0.013 8.156 8.150 -0.012 0.000 0.497 15 D N 3.023 123.401 120.400 -0.036 0.000 2.458 15 D HA -0.013 nan 4.640 nan 0.000 0.243 15 D C 0.683 176.956 176.300 -0.044 0.000 1.146 15 D CA -1.581 52.384 54.000 -0.058 0.000 0.877 15 D CB 0.801 41.564 40.800 -0.062 0.000 1.176 15 D HN -0.055 8.297 8.370 -0.030 0.000 0.461 16 P HA -0.137 nan 4.420 nan 0.000 0.218 16 P C -0.002 177.284 177.300 -0.023 0.000 1.148 16 P CA 1.966 65.041 63.100 -0.041 0.000 0.822 16 P CB 0.319 31.982 31.700 -0.062 0.000 0.784 17 I N -3.738 116.810 120.570 -0.036 0.000 2.685 17 I HA -0.124 nan 4.170 nan 0.000 0.251 17 I C 1.688 177.815 176.117 0.017 0.000 1.102 17 I CA 1.895 63.195 61.300 -0.000 0.000 1.442 17 I CB 0.931 38.940 38.000 0.014 0.000 1.194 17 I HN -0.752 7.609 8.210 -0.070 -0.193 0.448 18 L N -2.271 118.954 121.223 0.004 0.000 2.217 18 L HA -0.207 nan 4.340 nan 0.000 0.211 18 L C 2.290 179.171 176.870 0.018 0.000 1.107 18 L CA 2.213 57.060 54.840 0.012 0.000 0.783 18 L CB -0.238 41.824 42.059 0.005 0.000 0.919 18 L HN -0.001 8.578 8.230 -0.019 -0.361 0.442 19 G N -3.076 105.734 108.800 0.017 0.000 2.650 19 G HA2 -0.146 nan 3.960 nan 0.000 0.214 19 G HA3 -0.146 nan 3.960 nan 0.000 0.214 19 G C 0.491 175.432 174.900 0.068 0.000 1.136 19 G CA 1.263 46.382 45.100 0.031 0.000 0.789 19 G HN -0.123 8.065 8.290 0.005 0.104 0.536 20 L N 0.959 122.231 121.223 0.081 0.000 2.109 20 L HA -0.135 nan 4.340 nan 0.000 0.207 20 L C 1.062 178.018 176.870 0.144 0.000 1.086 20 L CA 2.193 57.125 54.840 0.152 0.000 0.760 20 L CB -0.353 41.787 42.059 0.134 0.000 0.910 20 L HN -0.791 7.412 8.230 0.056 0.060 0.437 21 A N -2.154 120.704 122.820 0.064 0.000 1.969 21 A HA -0.322 nan 4.320 nan 0.000 0.218 21 A C 1.942 179.570 177.584 0.075 0.000 1.169 21 A CA 3.154 55.210 52.037 0.033 0.000 0.635 21 A CB -0.954 18.047 19.000 0.000 0.000 0.810 21 A HN -0.483 7.581 8.150 0.049 0.116 0.445 22 D N -0.792 119.649 120.400 0.069 0.000 2.117 22 D HA -0.211 nan 4.640 nan 0.000 0.198 22 D C 2.249 178.595 176.300 0.076 0.000 0.982 22 D CA 3.066 57.102 54.000 0.060 0.000 0.828 22 D CB -0.510 40.317 40.800 0.045 0.000 0.967 22 D HN -0.539 7.749 8.370 0.064 0.121 0.464 23 L N -0.916 120.384 121.223 0.128 0.000 2.017 23 L HA -0.392 nan 4.340 nan 0.000 0.208 23 L C 1.894 178.840 176.870 0.128 0.000 1.073 23 L CA 2.825 57.774 54.840 0.182 0.000 0.745 23 L CB -0.103 42.157 42.059 0.337 0.000 0.894 23 L HN -0.757 7.557 8.230 0.140 0.000 0.432 24 F N -1.718 118.119 119.950 -0.188 0.000 2.171 24 F HA -0.416 nan 4.527 nan 0.000 0.300 24 F C 1.583 177.227 175.800 -0.260 0.000 1.090 24 F CA 3.315 60.972 58.000 -0.573 0.000 1.293 24 F CB 0.274 38.844 39.000 -0.716 0.000 1.013 24 F HN -0.504 7.895 8.300 0.164 0.000 0.486 25 R N -2.314 118.170 120.500 -0.025 0.000 2.075 25 R HA -0.316 nan 4.340 nan 0.000 0.232 25 R C 2.557 178.797 176.300 -0.099 0.000 1.126 25 R CA 1.233 57.300 56.100 -0.055 0.000 0.963 25 R CB -1.172 29.136 30.300 0.012 0.000 0.858 25 R HN -0.471 7.736 8.270 0.072 0.106 0.435 26 A N -2.152 120.634 122.820 -0.056 0.000 2.216 26 A HA -0.095 nan 4.320 nan 0.000 0.214 26 A C -0.582 176.962 177.584 -0.066 0.000 1.160 26 A CA 0.801 52.814 52.037 -0.040 0.000 0.725 26 A CB -0.140 18.860 19.000 0.001 0.000 0.784 26 A HN -0.424 7.641 8.150 -0.021 0.073 0.472 27 D N -1.307 119.010 120.400 -0.138 0.000 2.317 27 D HA -0.046 nan 4.640 nan 0.000 0.252 27 D C 0.135 176.331 176.300 -0.174 0.000 1.174 27 D CA 0.038 53.946 54.000 -0.153 0.000 0.866 27 D CB 0.989 41.638 40.800 -0.252 0.000 1.127 27 D HN -0.856 7.185 8.370 -0.201 0.208 0.467 28 E N 3.881 124.020 120.200 -0.101 0.000 2.478 28 E HA -0.043 nan 4.350 nan 0.000 0.194 28 E C 0.239 176.790 176.600 -0.082 0.000 1.045 28 E CA -0.330 56.018 56.400 -0.086 0.000 0.868 28 E CB -0.038 29.630 29.700 -0.053 0.000 0.885 28 E HN 0.278 8.596 8.360 -0.069 0.000 0.505 29 R N 0.876 121.325 120.500 -0.085 0.000 2.594 29 R HA 0.146 nan 4.340 nan 0.000 0.272 29 R C -0.767 175.492 176.300 -0.067 0.000 1.074 29 R CA -1.325 54.740 56.100 -0.058 0.000 1.105 29 R CB -0.684 29.599 30.300 -0.028 0.000 1.008 29 R HN -0.824 7.534 8.270 -0.094 -0.144 0.472 30 P HA -0.141 nan 4.420 nan 0.000 0.212 30 P C 1.113 178.409 177.300 -0.006 0.000 1.180 30 P CA 1.631 64.717 63.100 -0.023 0.000 0.906 30 P CB 0.205 31.900 31.700 -0.007 0.000 0.782 31 G N -1.309 107.504 108.800 0.022 0.000 3.530 31 G HA2 0.034 nan 3.960 nan 0.000 0.269 31 G HA3 0.034 nan 3.960 nan 0.000 0.269 31 G C -1.226 173.731 174.900 0.095 0.000 1.314 31 G CA -0.919 44.214 45.100 0.056 0.000 1.441 31 G HN 0.129 8.432 8.290 0.023 0.000 0.595 32 K N 0.157 120.599 120.400 0.069 0.000 2.295 32 K HA -0.111 nan 4.320 nan 0.000 0.270 32 K C -0.792 176.013 176.600 0.342 0.000 1.011 32 K CA -0.130 56.255 56.287 0.164 0.000 0.953 32 K CB 0.611 33.031 32.500 -0.134 0.000 0.956 32 K HN -0.805 7.361 8.250 -0.004 0.082 0.477 33 I N 2.003 122.845 120.570 0.454 0.000 2.465 33 I HA 0.072 nan 4.170 nan 0.000 0.291 33 I C -1.628 174.636 176.117 0.244 0.000 1.014 33 I CA -0.969 60.513 61.300 0.304 0.000 1.093 33 I CB 3.206 41.305 38.000 0.165 0.000 1.267 33 I HN 0.579 8.983 8.210 0.497 0.104 0.431 34 N N 6.682 125.278 118.700 -0.172 0.000 2.511 34 N HA 0.275 nan 4.740 nan 0.000 0.249 34 N C -0.714 174.655 175.510 -0.236 0.000 0.971 34 N CA -0.530 52.209 53.050 -0.519 0.000 0.938 34 N CB 1.301 38.898 38.487 -1.482 0.000 1.131 34 N HN 0.393 8.690 8.380 -0.138 0.000 0.505 35 L N 5.821 126.995 121.223 -0.082 0.000 2.965 35 L HA 0.337 nan 4.340 nan 0.000 0.254 35 L C 0.142 177.024 176.870 0.020 0.000 1.220 35 L CA -1.483 53.335 54.840 -0.036 0.000 1.023 35 L CB -0.202 41.846 42.059 -0.019 0.000 1.355 35 L HN 0.413 8.643 8.230 0.001 0.000 0.545 36 G N 0.153 108.946 108.800 -0.011 0.000 2.558 36 G HA2 -0.085 nan 3.960 nan 0.000 0.218 36 G HA3 -0.085 nan 3.960 nan 0.000 0.218 36 G C -0.425 174.520 174.900 0.075 0.000 1.567 36 G CA 0.471 45.590 45.100 0.032 0.000 0.950 36 G HN -0.364 7.773 8.290 -0.103 0.091 0.517 37 I N 0.189 120.780 120.570 0.034 0.000 2.813 37 I HA -0.091 nan 4.170 nan 0.000 0.287 37 I C 0.417 176.639 176.117 0.176 0.000 1.196 37 I CA -0.493 60.861 61.300 0.090 0.000 1.421 37 I CB 1.863 39.869 38.000 0.011 0.000 1.365 37 I HN -0.326 7.864 8.210 -0.033 0.000 0.591 38 G N 7.967 116.967 108.800 0.334 0.000 3.197 38 G HA2 0.012 nan 3.960 nan 0.000 0.257 38 G HA3 0.012 nan 3.960 nan 0.000 0.257 38 G C -1.388 173.572 174.900 0.100 0.000 0.835 38 G CA -0.358 44.951 45.100 0.349 0.000 2.001 38 G HN 0.237 8.732 8.290 0.342 0.000 0.625 39 V N 2.489 122.379 119.914 -0.041 0.000 2.495 39 V HA 0.157 nan 4.120 nan 0.000 0.298 39 V C -1.048 175.038 176.094 -0.014 0.000 1.031 39 V CA -1.146 61.030 62.300 -0.206 0.000 0.871 39 V CB 1.648 33.194 31.823 -0.461 0.000 0.988 39 V HN -0.460 7.651 8.190 -0.026 0.064 0.432 40 Y N 9.402 129.749 120.300 0.078 0.000 2.497 40 Y HA -0.144 nan 4.550 nan 0.000 0.334 40 Y C -1.197 174.743 175.900 0.066 0.000 1.199 40 Y CA 1.043 59.209 58.100 0.110 0.000 1.425 40 Y CB 1.431 40.046 38.460 0.257 0.000 1.291 40 Y HN 0.343 8.925 8.280 0.502 0.000 0.562 41 K N 6.344 126.242 120.400 -0.836 0.000 2.371 41 K HA 0.393 nan 4.320 nan 0.000 0.251 41 K C -1.358 174.663 176.600 -0.966 0.000 0.934 41 K CA -1.861 54.049 56.287 -0.628 0.000 0.798 41 K CB 4.042 36.336 32.500 -0.342 0.000 1.204 41 K HN -0.160 7.466 8.250 -1.040 0.000 0.427 42 D N 3.502 123.642 120.400 -0.433 0.000 2.451 42 D HA 0.104 nan 4.640 nan 0.000 0.259 42 D C 1.037 177.261 176.300 -0.126 0.000 1.201 42 D CA -1.027 52.863 54.000 -0.182 0.000 1.028 42 D CB 0.581 41.413 40.800 0.054 0.000 1.095 42 D HN 0.635 8.867 8.370 -0.230 0.000 0.539 43 E N -3.760 116.417 120.200 -0.037 0.000 2.333 43 E HA -0.358 nan 4.350 nan 0.000 0.200 43 E C 0.780 177.362 176.600 -0.031 0.000 1.010 43 E CA 3.152 59.535 56.400 -0.029 0.000 0.841 43 E CB -1.078 28.622 29.700 -0.000 0.000 0.757 43 E HN 0.648 9.014 8.360 0.011 0.000 0.508 44 T N -8.929 105.608 114.554 -0.028 0.000 3.069 44 T HA 0.258 nan 4.350 nan 0.000 0.252 44 T C 1.240 175.923 174.700 -0.029 0.000 1.053 44 T CA -0.746 61.343 62.100 -0.018 0.000 0.964 44 T CB 0.035 68.901 68.868 -0.002 0.000 1.005 44 T HN -0.632 7.748 8.240 -0.027 -0.156 0.532 45 G N 2.541 111.305 108.800 -0.061 0.000 2.149 45 G HA2 -0.485 nan 3.960 nan 0.000 0.235 45 G HA3 -0.485 nan 3.960 nan 0.000 0.235 45 G C -1.475 173.391 174.900 -0.056 0.000 1.018 45 G CA 0.234 45.291 45.100 -0.070 0.000 0.728 45 G HN 0.178 8.299 8.290 -0.082 0.120 0.508 46 K N -1.499 118.873 120.400 -0.047 0.000 2.238 46 K HA 0.316 nan 4.320 nan 0.000 0.239 46 K C -1.723 174.875 176.600 -0.003 0.000 0.987 46 K CA -1.757 54.523 56.287 -0.011 0.000 0.857 46 K CB 2.318 34.828 32.500 0.017 0.000 1.154 46 K HN -0.433 8.067 8.250 -0.054 -0.283 0.439 47 T N 2.981 117.561 114.554 0.043 0.000 3.331 47 T HA 0.280 nan 4.350 nan 0.000 0.381 47 T C -1.862 172.933 174.700 0.159 0.000 1.656 47 T CA -2.599 59.572 62.100 0.118 0.000 1.453 47 T CB -0.550 68.370 68.868 0.087 0.000 1.066 47 T HN 0.119 8.382 8.240 0.039 0.000 0.655 48 P HA 0.147 nan 4.420 nan 0.000 0.272 48 P C -1.017 176.381 177.300 0.163 0.000 1.230 48 P CA -0.586 62.598 63.100 0.140 0.000 0.788 48 P CB 1.203 32.977 31.700 0.124 0.000 0.949 49 V N -1.403 118.588 119.914 0.130 0.000 2.546 49 V HA 0.230 nan 4.120 nan 0.000 0.284 49 V C -0.914 175.246 176.094 0.110 0.000 1.050 49 V CA -1.078 61.299 62.300 0.128 0.000 0.981 49 V CB 0.839 32.727 31.823 0.110 0.000 0.990 49 V HN -0.094 8.161 8.190 0.109 0.000 0.474 50 L N 6.208 127.497 121.223 0.110 0.000 2.506 50 L HA -0.021 nan 4.340 nan 0.000 0.281 50 L C 1.193 178.108 176.870 0.076 0.000 1.228 50 L CA 0.256 55.151 54.840 0.091 0.000 0.850 50 L CB 0.146 42.265 42.059 0.099 0.000 1.110 50 L HN 0.215 8.517 8.230 0.120 0.000 0.496 51 T N 5.073 119.662 114.554 0.060 0.000 2.788 51 T HA -0.333 nan 4.350 nan 0.000 0.268 51 T C 1.999 176.729 174.700 0.050 0.000 1.044 51 T CA 4.583 66.713 62.100 0.049 0.000 1.139 51 T CB -0.222 68.667 68.868 0.034 0.000 0.867 51 T HN 0.480 9.018 8.240 0.053 -0.266 0.454 52 S N 1.261 116.997 115.700 0.059 0.000 2.382 52 S HA -0.296 nan 4.470 nan 0.000 0.228 52 S C 1.764 176.396 174.600 0.053 0.000 1.027 52 S CA 3.225 61.462 58.200 0.062 0.000 0.991 52 S CB -0.228 63.037 63.200 0.108 0.000 0.823 52 S HN -0.235 8.529 8.310 0.063 -0.416 0.469 53 V N -0.293 119.663 119.914 0.069 0.000 2.591 53 V HA -0.046 nan 4.120 nan 0.000 0.249 53 V C 1.410 177.535 176.094 0.052 0.000 1.053 53 V CA 2.607 64.941 62.300 0.056 0.000 1.068 53 V CB -0.970 30.899 31.823 0.076 0.000 0.689 53 V HN -0.265 7.876 8.190 0.083 0.099 0.462 54 K N 0.257 120.694 120.400 0.062 0.000 2.063 54 K HA -0.314 nan 4.320 nan 0.000 0.208 54 K C 2.533 179.169 176.600 0.060 0.000 1.048 54 K CA 3.037 59.362 56.287 0.064 0.000 0.928 54 K CB -0.790 31.745 32.500 0.059 0.000 0.713 54 K HN 0.032 8.321 8.250 0.065 0.000 0.442 55 K N -1.355 119.075 120.400 0.050 0.000 2.057 55 K HA -0.254 nan 4.320 nan 0.000 0.206 55 K C 2.298 178.934 176.600 0.060 0.000 1.050 55 K CA 3.099 59.416 56.287 0.050 0.000 0.935 55 K CB -0.132 32.387 32.500 0.032 0.000 0.715 55 K HN -0.321 7.950 8.250 0.046 0.007 0.439 56 A N -0.831 122.005 122.820 0.028 0.000 1.933 56 A HA -0.225 nan 4.320 nan 0.000 0.218 56 A C 2.146 179.776 177.584 0.076 0.000 1.175 56 A CA 3.012 55.057 52.037 0.014 0.000 0.628 56 A CB -0.934 18.031 19.000 -0.059 0.000 0.814 56 A HN -0.346 7.815 8.150 0.018 0.000 0.444 57 E N -1.580 118.658 120.200 0.064 0.000 2.106 57 E HA -0.438 nan 4.350 nan 0.000 0.192 57 E C 2.333 179.003 176.600 0.116 0.000 0.984 57 E CA 2.935 59.397 56.400 0.103 0.000 0.806 57 E CB -0.255 29.532 29.700 0.146 0.000 0.750 57 E HN 0.069 8.360 8.360 0.054 0.102 0.458 58 Q N 0.187 120.050 119.800 0.104 0.000 2.050 58 Q HA -0.294 nan 4.340 nan 0.000 0.202 58 Q C 2.086 178.143 176.000 0.095 0.000 0.980 58 Q CA 2.777 58.631 55.803 0.085 0.000 0.840 58 Q CB -0.473 28.311 28.738 0.077 0.000 0.898 58 Q HN -0.386 7.859 8.270 0.097 0.083 0.424 59 Y N 0.578 120.878 120.300 0.001 0.000 2.207 59 Y HA -0.407 nan 4.550 nan 0.000 0.287 59 Y C 1.849 177.743 175.900 -0.009 0.000 1.156 59 Y CA 3.582 61.678 58.100 -0.008 0.000 1.182 59 Y CB 0.025 38.475 38.460 -0.017 0.000 0.979 59 Y HN -0.473 7.951 8.280 0.240 0.000 0.521 60 L N -1.172 120.127 121.223 0.127 0.000 2.056 60 L HA -0.320 nan 4.340 nan 0.000 0.207 60 L C 1.932 178.787 176.870 -0.024 0.000 1.078 60 L CA 2.791 57.657 54.840 0.044 0.000 0.749 60 L CB -1.029 41.075 42.059 0.075 0.000 0.901 60 L HN -0.022 8.214 8.230 0.195 0.111 0.433 61 L N -0.812 120.416 121.223 0.008 0.000 2.083 61 L HA -0.358 nan 4.340 nan 0.000 0.209 61 L C 1.653 178.488 176.870 -0.058 0.000 1.083 61 L CA 3.274 58.109 54.840 -0.009 0.000 0.752 61 L CB -0.159 41.907 42.059 0.013 0.000 0.899 61 L HN -0.058 8.200 8.230 0.046 0.000 0.433 62 E N -1.920 118.218 120.200 -0.103 0.000 2.076 62 E HA -0.217 nan 4.350 nan 0.000 0.190 62 E C 1.454 177.941 176.600 -0.188 0.000 0.979 62 E CA 1.970 58.288 56.400 -0.137 0.000 0.807 62 E CB 0.097 29.698 29.700 -0.164 0.000 0.761 62 E HN -0.147 8.048 8.360 -0.100 0.105 0.454 63 N N -2.548 115.973 118.700 -0.297 0.000 2.373 63 N HA 0.029 nan 4.740 nan 0.000 0.181 63 N C -0.076 175.337 175.510 -0.161 0.000 1.082 63 N CA 0.891 53.764 53.050 -0.295 0.000 0.885 63 N CB 0.843 38.992 38.487 -0.565 0.000 0.977 63 N HN -0.115 8.058 8.380 -0.345 0.000 0.462 67 T N 0.531 115.067 114.554 -0.030 0.000 2.840 67 T HA 0.293 nan 4.350 nan 0.000 0.317 67 T C -1.314 173.363 174.700 -0.039 0.000 1.401 67 T CA 0.338 62.418 62.100 -0.034 0.000 1.028 67 T CB 1.488 70.340 68.868 -0.027 0.000 1.317 67 T HN -0.617 7.606 8.240 -0.028 0.000 0.495 68 K N 1.562 121.927 120.400 -0.058 0.000 2.455 68 K HA 0.295 nan 4.320 nan 0.000 0.206 68 K C -0.381 176.149 176.600 -0.116 0.000 1.027 68 K CA -1.389 54.853 56.287 -0.074 0.000 1.113 68 K CB -0.113 32.336 32.500 -0.086 0.000 0.850 68 K HN 0.203 8.415 8.250 -0.063 0.000 0.503 69 N N 0.668 119.313 118.700 -0.091 0.000 2.407 69 N HA -0.200 nan 4.740 nan 0.000 0.250 69 N C 0.249 175.731 175.510 -0.046 0.000 1.236 69 N CA 0.206 53.196 53.050 -0.100 0.000 0.879 69 N CB 0.615 39.088 38.487 -0.022 0.000 1.088 69 N HN -0.762 7.501 8.380 -0.061 0.081 0.450 70 Y N 3.137 123.439 120.300 0.003 0.000 2.904 70 Y HA -0.256 nan 4.550 nan 0.000 0.336 70 Y C -0.008 175.895 175.900 0.006 0.000 1.263 70 Y CA 0.796 58.899 58.100 0.006 0.000 1.547 70 Y CB 0.247 38.711 38.460 0.008 0.000 1.272 70 Y HN 0.276 8.432 8.280 -0.207 0.000 0.596 71 L N 3.564 124.905 121.223 0.195 0.000 2.490 71 L HA 0.290 nan 4.340 nan 0.000 0.245 71 L C 0.326 177.256 176.870 0.099 0.000 1.185 71 L CA -0.364 54.541 54.840 0.108 0.000 0.813 71 L CB 0.853 42.953 42.059 0.069 0.000 1.233 71 L HN 0.268 8.629 8.230 0.219 0.000 0.489 72 G N -1.475 107.366 108.800 0.069 0.000 2.599 72 G HA2 0.086 nan 3.960 nan 0.000 0.264 72 G HA3 0.086 nan 3.960 nan 0.000 0.264 72 G C 1.093 176.017 174.900 0.040 0.000 1.200 72 G CA -1.069 44.059 45.100 0.047 0.000 0.896 72 G HN 0.098 8.428 8.290 0.066 0.000 0.536 73 I N -0.091 120.480 120.570 0.001 0.000 2.248 73 I HA -0.478 nan 4.170 nan 0.000 0.248 73 I C -0.016 176.117 176.117 0.027 0.000 1.107 73 I CA 2.737 64.020 61.300 -0.029 0.000 1.373 73 I CB -0.059 37.882 38.000 -0.099 0.000 1.055 73 I HN 0.389 8.590 8.210 -0.014 0.000 0.418 74 D N -5.868 114.577 120.400 0.075 0.000 2.340 74 D HA 0.004 nan 4.640 nan 0.000 0.220 74 D C 0.547 176.948 176.300 0.168 0.000 1.039 74 D CA -0.586 53.517 54.000 0.172 0.000 0.866 74 D CB -0.487 40.517 40.800 0.340 0.000 0.913 74 D HN -0.136 8.254 8.370 0.067 0.021 0.523 75 G N 0.425 109.290 108.800 0.108 0.000 2.508 75 G HA2 -0.374 nan 3.960 nan 0.000 0.220 75 G HA3 -0.374 nan 3.960 nan 0.000 0.220 75 G C -1.692 173.246 174.900 0.063 0.000 1.287 75 G CA -0.567 44.570 45.100 0.062 0.000 0.916 75 G HN -0.209 7.940 8.290 0.092 0.196 0.574 76 I N 2.757 123.348 120.570 0.035 0.000 2.379 76 I HA 0.031 nan 4.170 nan 0.000 0.290 76 I C -1.092 175.099 176.117 0.122 0.000 1.063 76 I CA -2.831 58.501 61.300 0.053 0.000 1.351 76 I CB 0.230 38.232 38.000 0.004 0.000 1.410 76 I HN 0.268 8.460 8.210 -0.030 0.000 0.505 77 P HA -0.275 nan 4.420 nan 0.000 0.216 77 P C 0.971 178.309 177.300 0.063 0.000 1.153 77 P CA 2.845 65.991 63.100 0.076 0.000 0.858 77 P CB 0.030 31.760 31.700 0.050 0.000 0.789 78 E N -3.088 117.144 120.200 0.054 0.000 2.150 78 E HA -0.217 nan 4.350 nan 0.000 0.193 78 E C 2.148 178.761 176.600 0.022 0.000 0.985 78 E CA 3.155 59.568 56.400 0.022 0.000 0.814 78 E CB -0.836 28.869 29.700 0.009 0.000 0.752 78 E HN 0.621 8.996 8.360 0.055 0.018 0.466 79 F N 1.051 120.948 119.950 -0.088 0.000 2.102 79 F HA -0.293 nan 4.527 nan 0.000 0.298 79 F C 1.340 177.095 175.800 -0.075 0.000 1.105 79 F CA 3.194 61.118 58.000 -0.126 0.000 1.239 79 F CB -0.008 38.913 39.000 -0.132 0.000 0.991 79 F HN -0.530 7.778 8.300 0.204 0.114 0.474 80 G N -1.882 106.942 108.800 0.041 0.000 2.418 80 G HA2 -0.433 nan 3.960 nan 0.000 0.217 80 G HA3 -0.433 nan 3.960 nan 0.000 0.217 80 G C 1.092 175.923 174.900 -0.116 0.000 1.158 80 G CA 2.023 47.092 45.100 -0.051 0.000 0.771 80 G HN -0.234 8.186 8.290 0.217 0.000 0.545 81 R N 1.392 121.848 120.500 -0.074 0.000 2.081 81 R HA -0.236 nan 4.340 nan 0.000 0.235 81 R C 2.348 178.587 176.300 -0.102 0.000 1.131 81 R CA 3.662 59.723 56.100 -0.065 0.000 0.960 81 R CB -0.165 30.112 30.300 -0.038 0.000 0.856 81 R HN -0.241 8.006 8.270 -0.038 0.000 0.436 82 C N -1.062 118.145 119.300 -0.155 0.000 2.422 82 C HA -0.187 nan 4.460 nan 0.000 0.279 82 C C 2.290 177.153 174.990 -0.211 0.000 1.305 82 C CA 4.063 62.974 59.018 -0.179 0.000 1.757 82 C CB -1.991 25.614 27.740 -0.225 0.000 1.962 82 C HN 0.054 8.189 8.230 -0.157 0.000 0.499 83 T N 2.960 117.330 114.554 -0.306 0.000 2.737 83 T HA -0.357 nan 4.350 nan 0.000 0.265 83 T C 1.930 176.478 174.700 -0.253 0.000 1.038 83 T CA 4.994 66.921 62.100 -0.288 0.000 1.144 83 T CB -0.540 68.102 68.868 -0.376 0.000 0.866 83 T HN -0.060 7.849 8.240 -0.376 0.106 0.434 84 Q N 1.143 120.839 119.800 -0.174 0.000 2.096 84 Q HA -0.432 nan 4.340 nan 0.000 0.204 84 Q C 2.343 178.300 176.000 -0.071 0.000 0.982 84 Q CA 3.863 59.615 55.803 -0.085 0.000 0.850 84 Q CB -0.197 28.596 28.738 0.091 0.000 0.901 84 Q HN -0.185 7.993 8.270 -0.153 0.000 0.422 85 E N -0.213 119.955 120.200 -0.055 0.000 2.106 85 E HA -0.270 nan 4.350 nan 0.000 0.192 85 E C 2.982 179.540 176.600 -0.071 0.000 0.984 85 E CA 2.758 59.141 56.400 -0.028 0.000 0.806 85 E CB -0.216 29.470 29.700 -0.024 0.000 0.750 85 E HN -0.506 7.812 8.360 -0.069 0.000 0.458 86 L N -0.359 120.791 121.223 -0.123 0.000 2.056 86 L HA -0.306 nan 4.340 nan 0.000 0.207 86 L C 2.155 178.894 176.870 -0.217 0.000 1.078 86 L CA 2.976 57.740 54.840 -0.127 0.000 0.749 86 L CB 0.057 42.051 42.059 -0.107 0.000 0.901 86 L HN -0.265 7.792 8.230 -0.139 0.089 0.433 87 L N -1.459 119.538 121.223 -0.378 0.000 2.023 87 L HA -0.338 nan 4.340 nan 0.000 0.205 87 L C 2.393 179.006 176.870 -0.427 0.000 1.073 87 L CA 3.624 58.140 54.840 -0.540 0.000 0.745 87 L CB 0.111 41.560 42.059 -1.016 0.000 0.900 87 L HN 0.270 8.264 8.230 -0.392 0.000 0.435 88 F N -5.294 114.643 119.950 -0.021 0.000 2.714 88 F HA 0.018 nan 4.527 nan 0.000 0.294 88 F C 0.166 175.957 175.800 -0.015 0.000 1.120 88 F CA -0.002 57.987 58.000 -0.018 0.000 1.398 88 F CB 0.742 39.729 39.000 -0.022 0.000 1.120 88 F HN -0.100 7.939 8.300 -0.435 0.000 0.589 89 G N -2.252 106.619 108.800 0.118 0.000 2.674 89 G HA2 -0.261 nan 3.960 nan 0.000 0.686 89 G HA3 -0.261 nan 3.960 nan 0.000 0.686 89 G C 0.215 175.157 174.900 0.070 0.000 1.195 89 G CA -0.603 44.542 45.100 0.076 0.000 0.776 89 G HN -0.770 7.452 8.290 0.051 0.098 0.654 90 K N 3.756 124.179 120.400 0.037 0.000 2.032 90 K HA -0.287 nan 4.320 nan 0.000 0.209 90 K C 1.032 177.647 176.600 0.027 0.000 1.048 90 K CA 2.667 58.969 56.287 0.025 0.000 0.927 90 K CB -0.032 32.475 32.500 0.013 0.000 0.712 90 K HN 0.604 8.871 8.250 0.029 0.000 0.441 91 G N -2.737 106.078 108.800 0.025 0.000 3.814 91 G HA2 0.104 nan 3.960 nan 0.000 0.293 91 G HA3 0.104 nan 3.960 nan 0.000 0.293 91 G C -0.885 174.028 174.900 0.021 0.000 1.243 91 G CA -0.902 44.209 45.100 0.018 0.000 1.053 91 G HN -0.488 7.817 8.290 0.026 0.000 0.562 92 S N 0.457 116.179 115.700 0.037 0.000 2.572 92 S HA -0.061 nan 4.470 nan 0.000 0.279 92 S C 0.759 175.354 174.600 -0.008 0.000 1.341 92 S CA -0.360 57.858 58.200 0.031 0.000 1.043 92 S CB 0.781 64.031 63.200 0.084 0.000 0.887 92 S HN -0.719 7.530 8.310 0.051 0.091 0.516 93 A N 7.650 130.450 122.820 -0.032 0.000 1.968 93 A HA -0.094 nan 4.320 nan 0.000 0.217 93 A C 1.667 179.203 177.584 -0.081 0.000 1.169 93 A CA 2.705 54.715 52.037 -0.047 0.000 0.638 93 A CB -0.193 18.781 19.000 -0.044 0.000 0.812 93 A HN 0.703 8.836 8.150 -0.028 0.000 0.446 94 L N -0.982 120.152 121.223 -0.149 0.000 2.083 94 L HA -0.371 nan 4.340 nan 0.000 0.209 94 L C 1.725 178.515 176.870 -0.133 0.000 1.083 94 L CA 3.260 57.966 54.840 -0.224 0.000 0.752 94 L CB -0.445 41.290 42.059 -0.539 0.000 0.899 94 L HN -0.755 7.362 8.230 -0.159 0.017 0.433 95 I N -1.831 118.697 120.570 -0.069 0.000 2.233 95 I HA -0.455 nan 4.170 nan 0.000 0.243 95 I C 2.576 178.681 176.117 -0.020 0.000 1.093 95 I CA 3.730 65.023 61.300 -0.012 0.000 1.380 95 I CB -0.483 37.539 38.000 0.037 0.000 1.067 95 I HN -0.440 7.623 8.210 -0.064 0.109 0.413 96 N N 0.528 119.215 118.700 -0.021 0.000 2.244 96 N HA -0.268 nan 4.740 nan 0.000 0.183 96 N C 1.258 176.755 175.510 -0.022 0.000 1.016 96 N CA 2.524 55.564 53.050 -0.017 0.000 0.866 96 N CB 0.129 38.608 38.487 -0.014 0.000 0.980 96 N HN -0.121 8.245 8.380 -0.023 0.000 0.430 97 D N -2.485 117.895 120.400 -0.033 0.000 2.340 97 D HA 0.160 nan 4.640 nan 0.000 0.220 97 D C -1.586 174.694 176.300 -0.032 0.000 1.039 97 D CA 0.302 54.283 54.000 -0.031 0.000 0.866 97 D CB 0.073 40.851 40.800 -0.037 0.000 0.913 97 D HN -0.340 8.004 8.370 -0.042 0.000 0.523 98 K N -4.413 115.964 120.400 -0.038 0.000 3.125 98 K HA -0.432 nan 4.320 nan 0.000 0.268 98 K C -0.100 176.471 176.600 -0.048 0.000 1.078 98 K CA 0.827 57.090 56.287 -0.040 0.000 0.775 98 K CB -2.014 30.469 32.500 -0.028 0.000 1.253 98 K HN -0.647 7.401 8.250 -0.039 0.178 0.486 99 R N -5.744 114.717 120.500 -0.064 0.000 2.297 99 R HA -0.040 nan 4.340 nan 0.000 0.197 99 R C -0.893 175.360 176.300 -0.078 0.000 0.943 99 R CA 0.904 56.964 56.100 -0.066 0.000 1.038 99 R CB 1.060 31.310 30.300 -0.082 0.000 0.957 99 R HN -0.335 7.891 8.270 -0.074 0.000 0.484 100 A N -2.380 120.386 122.820 -0.091 0.000 2.350 100 A HA 0.616 nan 4.320 nan 0.000 0.324 100 A C -1.105 176.396 177.584 -0.139 0.000 1.118 100 A CA -1.418 50.574 52.037 -0.076 0.000 0.783 100 A CB 1.913 20.905 19.000 -0.012 0.000 1.236 100 A HN -0.689 7.357 8.150 -0.086 0.052 0.457 101 R N 0.307 120.662 120.500 -0.242 0.000 2.575 101 R HA 0.404 nan 4.340 nan 0.000 0.293 101 R C -1.489 174.499 176.300 -0.519 0.000 0.983 101 R CA -2.133 53.620 56.100 -0.578 0.000 0.887 101 R CB 3.494 33.090 30.300 -1.173 0.000 1.184 101 R HN 0.417 8.587 8.270 -0.168 0.000 0.445 102 T N -0.999 113.338 114.554 -0.362 0.000 2.863 102 T HA 0.662 nan 4.350 nan 0.000 0.285 102 T C -1.501 173.310 174.700 0.185 0.000 1.009 102 T CA -2.324 59.746 62.100 -0.050 0.000 0.989 102 T CB 2.113 70.991 68.868 0.016 0.000 1.004 102 T HN 0.276 8.315 8.240 -0.335 0.000 0.455 103 A N 5.362 128.402 122.820 0.368 0.000 2.318 103 A HA 0.427 nan 4.320 nan 0.000 0.324 103 A C -1.877 175.897 177.584 0.317 0.000 1.170 103 A CA -2.134 50.147 52.037 0.406 0.000 0.810 103 A CB 2.726 21.942 19.000 0.361 0.000 1.198 103 A HN 0.508 8.849 8.150 0.318 0.000 0.484 104 Q N 3.795 123.769 119.800 0.291 0.000 2.314 104 Q HA 0.319 nan 4.340 nan 0.000 0.258 104 Q C -0.767 175.316 176.000 0.138 0.000 0.954 104 Q CA -0.001 55.935 55.803 0.223 0.000 0.890 104 Q CB 1.536 30.224 28.738 -0.083 0.000 1.210 104 Q HN 0.220 8.536 8.270 0.262 0.112 0.410 105 T N 0.870 115.480 114.554 0.094 0.000 2.887 105 T HA 0.539 nan 4.350 nan 0.000 0.292 105 T C -2.604 172.017 174.700 -0.132 0.000 1.087 105 T CA -3.192 58.925 62.100 0.027 0.000 1.009 105 T CB 0.637 69.571 68.868 0.110 0.000 1.203 105 T HN 0.649 8.850 8.240 0.120 0.110 0.518 106 P HA 0.014 nan 4.420 nan 0.000 0.252 106 P C -1.202 176.029 177.300 -0.114 0.000 1.727 106 P CA -0.384 62.563 63.100 -0.256 0.000 1.134 106 P CB -1.311 30.153 31.700 -0.394 0.000 1.876 107 G N 4.290 113.055 108.800 -0.058 0.000 2.760 107 G HA2 -0.344 nan 3.960 nan 0.000 0.246 107 G HA3 -0.344 nan 3.960 nan 0.000 0.246 107 G C 0.393 175.289 174.900 -0.008 0.000 1.359 107 G CA -0.366 44.722 45.100 -0.020 0.000 0.861 107 G HN -0.337 7.930 8.290 -0.062 -0.015 0.541 108 G N -1.391 107.389 108.800 -0.034 0.000 2.421 108 G HA2 -0.253 nan 3.960 nan 0.000 0.217 108 G HA3 -0.253 nan 3.960 nan 0.000 0.217 108 G C 0.918 175.828 174.900 0.016 0.000 1.143 108 G CA 1.589 46.663 45.100 -0.043 0.000 0.784 108 G HN 0.584 8.842 8.290 -0.055 0.000 0.541 109 T N 4.751 119.333 114.554 0.047 0.000 2.708 109 T HA -0.324 nan 4.350 nan 0.000 0.266 109 T C 2.393 177.148 174.700 0.091 0.000 1.037 109 T CA 4.565 66.750 62.100 0.143 0.000 1.146 109 T CB -0.768 68.227 68.868 0.212 0.000 0.865 109 T HN -0.061 8.176 8.240 0.022 0.016 0.435 110 G N 0.107 108.939 108.800 0.052 0.000 2.432 110 G HA2 -0.316 nan 3.960 nan 0.000 0.219 110 G HA3 -0.316 nan 3.960 nan 0.000 0.219 110 G C 0.142 175.107 174.900 0.109 0.000 1.135 110 G CA 1.864 46.995 45.100 0.051 0.000 0.767 110 G HN -0.346 7.963 8.290 0.031 0.000 0.550 111 A N 1.923 124.803 122.820 0.099 0.000 1.929 111 A HA -0.101 nan 4.320 nan 0.000 0.216 111 A C 2.163 179.838 177.584 0.151 0.000 1.176 111 A CA 2.504 54.619 52.037 0.130 0.000 0.628 111 A CB -0.698 18.368 19.000 0.110 0.000 0.816 111 A HN -0.645 7.422 8.150 0.071 0.126 0.444 112 L N -1.607 119.698 121.223 0.136 0.000 2.056 112 L HA -0.412 nan 4.340 nan 0.000 0.207 112 L C 2.154 179.097 176.870 0.121 0.000 1.078 112 L CA 2.896 57.825 54.840 0.149 0.000 0.749 112 L CB -0.350 41.769 42.059 0.100 0.000 0.901 112 L HN 0.025 8.241 8.230 0.114 0.082 0.433 113 R N -0.725 119.826 120.500 0.084 0.000 2.073 113 R HA -0.259 nan 4.340 nan 0.000 0.234 113 R C 2.117 178.508 176.300 0.152 0.000 1.134 113 R CA 2.841 58.992 56.100 0.085 0.000 0.952 113 R CB -0.854 29.492 30.300 0.078 0.000 0.850 113 R HN 0.059 8.381 8.270 0.086 0.000 0.433 114 V N -0.901 119.117 119.914 0.175 0.000 2.407 114 V HA -0.375 nan 4.120 nan 0.000 0.248 114 V C 1.840 178.069 176.094 0.225 0.000 1.055 114 V CA 4.176 66.585 62.300 0.181 0.000 1.049 114 V CB -0.929 31.001 31.823 0.178 0.000 0.662 114 V HN -0.189 8.103 8.190 0.172 0.000 0.455 115 A N -1.536 121.433 122.820 0.247 0.000 1.898 115 A HA -0.317 nan 4.320 nan 0.000 0.216 115 A C 1.676 179.485 177.584 0.375 0.000 1.181 115 A CA 3.313 55.546 52.037 0.327 0.000 0.620 115 A CB -0.890 18.296 19.000 0.310 0.000 0.819 115 A HN -0.253 8.019 8.150 0.222 0.012 0.442 116 A N -1.201 121.825 122.820 0.342 0.000 1.883 116 A HA -0.382 nan 4.320 nan 0.000 0.217 116 A C 2.074 179.792 177.584 0.223 0.000 1.186 116 A CA 3.318 55.556 52.037 0.334 0.000 0.624 116 A CB -0.794 18.413 19.000 0.345 0.000 0.822 116 A HN 0.064 8.326 8.150 0.313 0.076 0.444 117 D N -1.041 119.477 120.400 0.197 0.000 2.144 117 D HA -0.250 nan 4.640 nan 0.000 0.199 117 D C 2.262 178.655 176.300 0.155 0.000 0.984 117 D CA 3.134 57.221 54.000 0.145 0.000 0.834 117 D CB -0.283 40.593 40.800 0.126 0.000 0.955 117 D HN -0.164 8.328 8.370 0.203 0.000 0.465 118 F N 1.437 121.431 119.950 0.073 0.000 2.075 118 F HA -0.310 nan 4.527 nan 0.000 0.297 118 F C 1.118 176.960 175.800 0.071 0.000 1.113 118 F CA 3.162 61.200 58.000 0.064 0.000 1.218 118 F CB 0.254 39.301 39.000 0.078 0.000 0.984 118 F HN -0.546 7.964 8.300 0.373 0.014 0.472 119 L N -2.346 118.796 121.223 -0.135 0.000 2.046 119 L HA -0.519 nan 4.340 nan 0.000 0.208 119 L C 2.352 179.133 176.870 -0.148 0.000 1.077 119 L CA 2.989 57.699 54.840 -0.216 0.000 0.747 119 L CB -0.653 41.423 42.059 0.029 0.000 0.896 119 L HN 0.075 8.441 8.230 0.227 0.000 0.432 120 A N -1.952 120.842 122.820 -0.043 0.000 1.933 120 A HA -0.210 nan 4.320 nan 0.000 0.218 120 A C 0.986 178.540 177.584 -0.050 0.000 1.175 120 A CA 2.896 54.919 52.037 -0.022 0.000 0.628 120 A CB -0.424 18.592 19.000 0.027 0.000 0.814 120 A HN 0.024 8.186 8.150 0.019 0.000 0.444 121 K N -3.547 116.810 120.400 -0.071 0.000 2.367 121 K HA -0.043 nan 4.320 nan 0.000 0.194 121 K C 0.354 176.891 176.600 -0.106 0.000 1.027 121 K CA 1.082 57.331 56.287 -0.063 0.000 1.075 121 K CB 1.089 33.576 32.500 -0.021 0.000 0.845 121 K HN -0.397 7.808 8.250 -0.075 0.000 0.529 122 N N -1.682 116.888 118.700 -0.217 0.000 2.145 122 N HA 0.133 nan 4.740 nan 0.000 0.219 122 N C -0.692 174.681 175.510 -0.227 0.000 1.266 122 N CA 0.588 53.491 53.050 -0.245 0.000 0.902 122 N CB 2.584 40.834 38.487 -0.395 0.000 1.078 122 N HN -0.194 8.019 8.380 -0.278 0.000 0.513 123 T N -1.926 112.500 114.554 -0.213 0.000 2.742 123 T HA 0.411 nan 4.350 nan 0.000 0.282 123 T C -1.123 173.537 174.700 -0.066 0.000 1.025 123 T CA -1.158 60.866 62.100 -0.126 0.000 1.020 123 T CB 2.576 71.367 68.868 -0.129 0.000 1.317 123 T HN -0.394 7.713 8.240 -0.221 0.000 0.538 124 S N -1.388 114.296 115.700 -0.027 0.000 2.622 124 S HA 0.123 nan 4.470 nan 0.000 0.236 124 S C -0.701 173.903 174.600 0.006 0.000 0.956 124 S CA -0.129 58.067 58.200 -0.006 0.000 0.971 124 S CB -0.042 63.164 63.200 0.011 0.000 0.782 124 S HN 0.128 8.428 8.310 -0.017 0.000 0.468 125 V N 2.969 122.881 119.914 -0.004 0.000 2.614 125 V HA -0.144 nan 4.120 nan 0.000 0.291 125 V C -0.704 175.389 176.094 -0.002 0.000 1.049 125 V CA 1.012 63.317 62.300 0.009 0.000 1.038 125 V CB -0.168 31.657 31.823 0.005 0.000 0.980 125 V HN -0.767 7.314 8.190 -0.026 0.094 0.481 134 W N 4.637 125.773 121.300 -0.273 0.000 2.335 134 W HA 0.397 nan 4.660 nan 0.000 0.307 134 W C -1.429 174.997 176.519 -0.155 0.000 1.117 134 W CA -0.946 56.298 57.345 -0.168 0.000 1.228 134 W CB 0.958 30.319 29.460 -0.165 0.000 1.240 134 W HN 0.483 8.720 8.180 0.094 0.000 0.468 135 V N 4.139 124.024 119.914 -0.049 0.000 2.769 135 V HA 0.512 nan 4.120 nan 0.000 0.312 135 V C -0.890 174.857 176.094 -0.579 0.000 1.061 135 V CA -2.555 59.628 62.300 -0.194 0.000 0.931 135 V CB 3.315 35.095 31.823 -0.071 0.000 1.010 135 V HN 0.757 8.890 8.190 -0.094 0.000 0.433 136 S N 4.388 119.596 115.700 -0.821 0.000 2.589 136 S HA 0.112 nan 4.470 nan 0.000 0.265 136 S C -0.518 173.824 174.600 -0.430 0.000 1.342 136 S CA 0.583 58.144 58.200 -1.064 0.000 1.005 136 S CB 0.846 63.497 63.200 -0.916 0.000 0.909 136 S HN 0.507 8.531 8.310 -0.478 0.000 0.555 137 N N 0.143 118.686 118.700 -0.261 0.000 2.524 137 N HA 0.442 nan 4.740 nan 0.000 0.261 137 N C -2.222 173.318 175.510 0.051 0.000 0.998 137 N CA -2.902 50.112 53.050 -0.059 0.000 0.915 137 N CB 2.376 40.864 38.487 0.002 0.000 1.187 137 N HN -0.153 8.075 8.380 -0.252 0.000 0.507 138 P HA 0.269 nan 4.420 nan 0.000 0.281 138 P C -2.224 175.034 177.300 -0.071 0.000 1.281 138 P CA -1.139 61.943 63.100 -0.030 0.000 0.811 138 P CB 1.491 33.172 31.700 -0.032 0.000 1.154 139 S N -1.064 114.618 115.700 -0.030 0.000 2.671 139 S HA 0.175 nan 4.470 nan 0.000 0.277 139 S C -1.221 173.430 174.600 0.086 0.000 1.165 139 S CA -1.334 56.892 58.200 0.043 0.000 0.822 139 S CB 1.948 65.273 63.200 0.209 0.000 1.150 139 S HN -0.210 8.092 8.310 -0.013 0.000 0.479 140 W N 3.758 124.997 121.300 -0.101 0.000 2.443 140 W HA 0.025 nan 4.660 nan 0.000 0.335 140 W C -1.361 175.017 176.519 -0.234 0.000 1.382 140 W CA -0.724 56.465 57.345 -0.262 0.000 1.305 140 W CB -0.085 29.047 29.460 -0.546 0.000 1.283 140 W HN 0.068 8.476 8.180 0.380 0.000 0.567 141 P HA -0.369 nan 4.420 nan 0.000 0.218 141 P C 0.416 177.381 177.300 -0.559 0.000 1.146 141 P CA 2.727 65.596 63.100 -0.385 0.000 0.813 141 P CB 0.154 31.674 31.700 -0.300 0.000 0.778 142 N N -5.241 112.782 118.700 -1.128 0.000 2.461 142 N HA -0.080 nan 4.740 nan 0.000 0.188 142 N C 1.224 176.354 175.510 -0.632 0.000 1.134 142 N CA 0.434 52.854 53.050 -1.050 0.000 0.878 142 N CB -0.472 37.035 38.487 -1.634 0.000 0.972 142 N HN 0.303 7.555 8.380 -1.814 0.039 0.456 143 H N 0.572 119.437 119.070 -0.341 0.000 2.326 143 H HA -0.319 nan 4.556 nan 0.000 0.301 143 H C 1.876 177.147 175.328 -0.095 0.000 1.081 143 H CA 3.446 59.434 56.048 -0.101 0.000 1.334 143 H CB 0.291 30.160 29.762 0.179 0.000 1.385 143 H HN -0.229 7.746 8.280 -0.410 0.059 0.504 144 K N -1.090 119.369 120.400 0.100 0.000 2.044 144 K HA -0.423 nan 4.320 nan 0.000 0.210 144 K C 1.908 178.508 176.600 -0.000 0.000 1.049 144 K CA 3.365 59.697 56.287 0.075 0.000 0.927 144 K CB -0.379 32.121 32.500 0.000 0.000 0.713 144 K HN -0.032 8.254 8.250 0.059 0.000 0.443 145 S N -1.465 114.175 115.700 -0.099 0.000 2.368 145 S HA -0.265 nan 4.470 nan 0.000 0.225 145 S C 2.316 176.834 174.600 -0.136 0.000 1.030 145 S CA 3.231 61.357 58.200 -0.123 0.000 0.999 145 S CB -0.066 63.025 63.200 -0.182 0.000 0.844 145 S HN -0.231 7.987 8.310 -0.138 0.009 0.459 146 V N 1.874 121.645 119.914 -0.238 0.000 2.307 146 V HA -0.350 nan 4.120 nan 0.000 0.245 146 V C 2.157 178.100 176.094 -0.252 0.000 1.045 146 V CA 4.147 66.269 62.300 -0.296 0.000 1.024 146 V CB -0.585 30.968 31.823 -0.451 0.000 0.651 146 V HN -0.570 7.452 8.190 -0.280 0.000 0.449 147 F N -2.215 117.751 119.950 0.027 0.000 2.186 147 F HA -0.344 nan 4.527 nan 0.000 0.299 147 F C 2.056 177.851 175.800 -0.008 0.000 1.090 147 F CA 2.576 60.583 58.000 0.011 0.000 1.307 147 F CB -1.124 37.871 39.000 -0.009 0.000 1.019 147 F HN -0.286 7.736 8.300 -0.463 0.000 0.489 148 N N -0.956 117.817 118.700 0.122 0.000 2.223 148 N HA -0.220 nan 4.740 nan 0.000 0.185 148 N C 2.774 178.304 175.510 0.034 0.000 1.016 148 N CA 2.703 55.786 53.050 0.055 0.000 0.863 148 N CB -0.629 37.866 38.487 0.014 0.000 0.983 148 N HN 0.203 8.639 8.380 0.093 0.000 0.429 149 S N -0.152 115.559 115.700 0.018 0.000 2.402 149 S HA -0.170 nan 4.470 nan 0.000 0.229 149 S C -0.038 174.583 174.600 0.034 0.000 1.021 149 S CA 2.234 60.441 58.200 0.011 0.000 0.974 149 S CB 0.212 63.406 63.200 -0.010 0.000 0.800 149 S HN -0.358 7.830 8.310 0.001 0.123 0.484 150 A N -2.457 120.401 122.820 0.064 0.000 2.218 150 A HA 0.079 nan 4.320 nan 0.000 0.209 150 A C 0.109 177.730 177.584 0.063 0.000 1.168 150 A CA 0.542 52.625 52.037 0.078 0.000 0.804 150 A CB 0.227 19.304 19.000 0.128 0.000 0.834 150 A HN -0.634 7.439 8.150 0.081 0.126 0.482 151 G N -3.329 105.504 108.800 0.054 0.000 2.159 151 G HA2 -0.258 nan 3.960 nan 0.000 0.227 151 G HA3 -0.258 nan 3.960 nan 0.000 0.227 151 G C -0.486 174.432 174.900 0.030 0.000 0.986 151 G CA -0.128 44.992 45.100 0.034 0.000 0.651 151 G HN -0.630 7.511 8.290 0.059 0.184 0.523 155 V N 2.207 122.025 119.914 -0.161 0.000 2.370 155 V HA 0.594 nan 4.120 nan 0.000 0.283 155 V C -0.853 175.039 176.094 -0.337 0.000 1.023 155 V CA -1.033 61.134 62.300 -0.223 0.000 0.857 155 V CB 0.281 32.060 31.823 -0.075 0.000 0.985 155 V HN 0.502 8.623 8.190 -0.115 0.000 0.443 156 R N 4.981 125.129 120.500 -0.587 0.000 2.664 156 R HA 0.395 nan 4.340 nan 0.000 0.286 156 R C -1.356 174.626 176.300 -0.530 0.000 0.967 156 R CA -2.440 53.185 56.100 -0.791 0.000 0.933 156 R CB 3.844 33.110 30.300 -1.723 0.000 1.146 156 R HN 0.555 8.428 8.270 -0.661 0.000 0.468 157 E N 1.266 121.298 120.200 -0.279 0.000 2.179 157 E HA 0.519 nan 4.350 nan 0.000 0.275 157 E C -1.118 175.616 176.600 0.224 0.000 0.945 157 E CA -1.038 55.329 56.400 -0.056 0.000 0.792 157 E CB 2.038 31.703 29.700 -0.059 0.000 1.125 157 E HN 0.200 8.390 8.360 -0.283 0.000 0.397 158 Y N -1.212 119.211 120.300 0.204 0.000 2.409 158 Y HA 0.248 nan 4.550 nan 0.000 0.339 158 Y C -1.927 174.053 175.900 0.133 0.000 1.033 158 Y CA -2.969 55.243 58.100 0.187 0.000 1.094 158 Y CB 1.629 40.153 38.460 0.107 0.000 1.210 158 Y HN 0.141 8.280 8.280 -0.236 0.000 0.456 159 A N 3.284 126.293 122.820 0.315 0.000 2.507 159 A HA -0.164 nan 4.320 nan 0.000 0.235 159 A C -1.726 176.062 177.584 0.339 0.000 1.070 159 A CA 1.265 53.437 52.037 0.225 0.000 0.768 159 A CB 0.341 19.417 19.000 0.127 0.000 1.011 159 A HN -0.032 8.294 8.150 0.293 0.000 0.502 160 Y N 1.481 121.835 120.300 0.090 0.000 3.331 160 Y HA 0.091 nan 4.550 nan 0.000 0.172 160 Y C -1.951 174.002 175.900 0.089 0.000 0.942 160 Y CA 1.182 59.327 58.100 0.076 0.000 1.797 160 Y CB 2.480 40.921 38.460 -0.032 0.000 1.426 160 Y HN -0.129 8.283 8.280 0.220 0.000 0.316 161 Y N 0.616 120.932 120.300 0.026 0.000 2.320 161 Y HA 0.252 nan 4.550 nan 0.000 0.334 161 Y C -1.408 174.479 175.900 -0.021 0.000 1.055 161 Y CA -0.747 57.334 58.100 -0.033 0.000 1.143 161 Y CB 1.916 40.431 38.460 0.093 0.000 1.193 161 Y HN -0.925 7.613 8.280 0.430 0.000 0.477 162 D N 7.486 127.586 120.400 -0.501 0.000 2.428 162 D HA 0.126 nan 4.640 nan 0.000 0.221 162 D C -0.499 175.222 176.300 -0.966 0.000 1.123 162 D CA -2.072 51.620 54.000 -0.514 0.000 0.869 162 D CB 0.796 41.386 40.800 -0.350 0.000 1.032 162 D HN 0.312 8.389 8.370 -0.488 0.000 0.506 163 A N 6.052 128.428 122.820 -0.738 0.000 2.015 163 A HA -0.134 nan 4.320 nan 0.000 0.219 163 A C 0.774 177.936 177.584 -0.704 0.000 1.163 163 A CA 2.489 54.146 52.037 -0.634 0.000 0.646 163 A CB -0.112 18.823 19.000 -0.108 0.000 0.806 163 A HN 0.561 8.468 8.150 -0.407 0.000 0.448 164 E N -2.915 116.946 120.200 -0.565 0.000 2.033 164 E HA -0.238 nan 4.350 nan 0.000 0.189 164 E C 1.026 177.189 176.600 -0.728 0.000 0.979 164 E CA 2.007 58.094 56.400 -0.522 0.000 0.802 164 E CB 0.339 29.864 29.700 -0.292 0.000 0.763 164 E HN -0.560 7.643 8.360 -0.450 -0.112 0.449 165 N N -5.070 113.283 118.700 -0.579 0.000 2.422 165 N HA -0.052 nan 4.740 nan 0.000 0.181 165 N C -0.494 174.794 175.510 -0.370 0.000 1.080 165 N CA -0.065 52.749 53.050 -0.393 0.000 0.893 165 N CB 0.550 38.904 38.487 -0.222 0.000 0.973 165 N HN -0.806 7.505 8.380 -0.498 -0.230 0.456 166 H N -5.830 112.986 119.070 -0.424 0.000 2.748 166 H HA -0.331 nan 4.556 nan 0.000 0.322 166 H C -1.070 174.188 175.328 -0.117 0.000 1.208 166 H CA 0.822 56.653 56.048 -0.363 0.000 1.151 166 H CB -3.042 26.467 29.762 -0.421 0.000 1.505 166 H HN 0.039 7.559 8.280 -1.013 0.153 0.429 167 T N -6.837 107.605 114.554 -0.188 0.000 2.804 167 T HA 0.220 nan 4.350 nan 0.000 0.290 167 T C -2.015 172.622 174.700 -0.104 0.000 1.099 167 T CA -2.702 59.364 62.100 -0.056 0.000 1.011 167 T CB 3.394 72.218 68.868 -0.074 0.000 1.291 167 T HN -0.453 7.516 8.240 -0.452 0.000 0.523 168 L N 0.428 121.588 121.223 -0.104 0.000 2.278 168 L HA 0.421 nan 4.340 nan 0.000 0.287 168 L C -0.271 176.515 176.870 -0.141 0.000 1.072 168 L CA -0.300 54.407 54.840 -0.221 0.000 0.819 168 L CB 1.129 43.034 42.059 -0.256 0.000 1.176 168 L HN 0.064 8.255 8.230 -0.066 0.000 0.435 169 D N 9.300 129.607 120.400 -0.155 0.000 2.517 169 D HA 0.061 nan 4.640 nan 0.000 0.220 169 D C -0.091 176.194 176.300 -0.025 0.000 1.158 169 D CA -1.404 52.549 54.000 -0.078 0.000 0.992 169 D CB -0.709 40.037 40.800 -0.089 0.000 1.058 169 D HN 0.455 8.697 8.370 -0.214 0.000 0.516 170 F N 5.327 125.192 119.950 -0.142 0.000 2.126 170 F HA -0.402 nan 4.527 nan 0.000 0.299 170 F C 0.986 176.749 175.800 -0.063 0.000 1.096 170 F CA 3.780 61.711 58.000 -0.114 0.000 1.255 170 F CB 0.451 39.385 39.000 -0.111 0.000 0.997 170 F HN -0.444 7.920 8.300 0.150 0.026 0.479 171 D N -1.684 118.701 120.400 -0.026 0.000 2.117 171 D HA -0.363 nan 4.640 nan 0.000 0.197 171 D C 1.755 177.986 176.300 -0.116 0.000 0.987 171 D CA 3.995 57.944 54.000 -0.085 0.000 0.829 171 D CB -0.297 40.493 40.800 -0.016 0.000 0.961 171 D HN 0.330 8.741 8.370 0.068 0.000 0.460 172 A N -0.056 122.717 122.820 -0.079 0.000 1.933 172 A HA -0.182 nan 4.320 nan 0.000 0.218 172 A C 2.290 179.837 177.584 -0.061 0.000 1.175 172 A CA 2.871 54.878 52.037 -0.050 0.000 0.628 172 A CB -0.613 18.374 19.000 -0.021 0.000 0.814 172 A HN -0.664 7.611 8.150 -0.058 -0.160 0.444 173 L N -0.479 120.674 121.223 -0.117 0.000 1.989 173 L HA -0.291 nan 4.340 nan 0.000 0.211 173 L C 2.043 178.769 176.870 -0.239 0.000 1.071 173 L CA 2.989 57.757 54.840 -0.120 0.000 0.749 173 L CB -0.870 41.046 42.059 -0.237 0.000 0.890 173 L HN -0.292 7.755 8.230 -0.144 0.096 0.431 174 I N -0.716 119.632 120.570 -0.370 0.000 2.127 174 I HA -0.592 nan 4.170 nan 0.000 0.241 174 I C 2.583 178.614 176.117 -0.144 0.000 1.075 174 I CA 3.151 64.280 61.300 -0.284 0.000 1.334 174 I CB -1.539 36.272 38.000 -0.315 0.000 1.040 174 I HN 0.252 8.167 8.210 -0.492 0.000 0.405 175 N N -1.069 117.564 118.700 -0.112 0.000 2.223 175 N HA -0.278 nan 4.740 nan 0.000 0.185 175 N C 1.980 177.460 175.510 -0.050 0.000 1.016 175 N CA 2.404 55.418 53.050 -0.060 0.000 0.863 175 N CB -0.556 37.908 38.487 -0.038 0.000 0.983 175 N HN 0.051 8.354 8.380 -0.129 0.000 0.429 176 S N 0.276 115.947 115.700 -0.048 0.000 2.368 176 S HA -0.190 nan 4.470 nan 0.000 0.224 176 S C 1.764 176.270 174.600 -0.157 0.000 1.029 176 S CA 2.738 60.936 58.200 -0.003 0.000 0.988 176 S CB 0.342 63.604 63.200 0.104 0.000 0.838 176 S HN -0.271 7.984 8.310 -0.059 0.021 0.462 177 L N 0.509 121.562 121.223 -0.284 0.000 2.465 177 L HA -0.161 nan 4.340 nan 0.000 0.224 177 L C 1.364 178.027 176.870 -0.344 0.000 1.145 177 L CA 0.974 55.466 54.840 -0.581 0.000 0.834 177 L CB -0.848 40.843 42.059 -0.614 0.000 0.944 177 L HN -0.107 7.913 8.230 -0.213 0.082 0.451 178 N N -0.451 118.169 118.700 -0.133 0.000 2.459 178 N HA -0.202 nan 4.740 nan 0.000 0.181 178 N C 1.006 176.488 175.510 -0.046 0.000 1.046 178 N CA 2.485 55.524 53.050 -0.018 0.000 0.904 178 N CB 0.033 38.517 38.487 -0.005 0.000 0.964 178 N HN -0.294 7.827 8.380 -0.124 0.185 0.444 179 E N -1.972 118.149 120.200 -0.133 0.000 2.481 179 E HA -0.081 nan 4.350 nan 0.000 0.195 179 E C -1.059 175.499 176.600 -0.070 0.000 1.047 179 E CA 0.167 56.556 56.400 -0.019 0.000 0.867 179 E CB 0.475 30.269 29.700 0.156 0.000 0.858 179 E HN -0.671 7.521 8.360 -0.211 0.042 0.513 180 A N -0.321 122.227 122.820 -0.454 0.000 2.409 180 A HA 0.066 nan 4.320 nan 0.000 0.267 180 A C -0.518 177.099 177.584 0.055 0.000 1.127 180 A CA -0.393 51.331 52.037 -0.521 0.000 0.795 180 A CB 0.472 18.589 19.000 -1.473 0.000 1.061 180 A HN -0.591 7.038 8.150 -0.549 0.191 0.502 181 Q N 3.586 123.479 119.800 0.155 0.000 2.249 181 Q HA 0.030 nan 4.340 nan 0.000 0.226 181 Q C -0.470 175.693 176.000 0.272 0.000 0.983 181 Q CA -1.654 54.269 55.803 0.201 0.000 0.930 181 Q CB 1.746 30.581 28.738 0.161 0.000 1.193 181 Q HN -0.113 8.520 8.270 0.187 -0.251 0.508 182 A N -0.547 122.385 122.820 0.186 0.000 2.454 182 A HA -0.034 nan 4.320 nan 0.000 0.260 182 A C 0.051 177.734 177.584 0.165 0.000 1.106 182 A CA 0.815 52.949 52.037 0.162 0.000 0.780 182 A CB -0.850 18.192 19.000 0.071 0.000 1.044 182 A HN 0.222 8.453 8.150 0.134 0.000 0.498 183 G N 3.928 112.846 108.800 0.196 0.000 2.179 183 G HA2 -0.313 nan 3.960 nan 0.000 0.220 183 G HA3 -0.313 nan 3.960 nan 0.000 0.220 183 G C -0.816 174.183 174.900 0.166 0.000 0.990 183 G CA -0.442 44.752 45.100 0.156 0.000 0.646 183 G HN 0.473 8.798 8.290 0.248 0.114 0.517 184 D N 1.561 122.089 120.400 0.213 0.000 2.304 184 D HA 0.250 nan 4.640 nan 0.000 0.247 184 D C -0.784 175.602 176.300 0.143 0.000 1.089 184 D CA 0.021 54.129 54.000 0.180 0.000 0.910 184 D CB 1.373 42.288 40.800 0.192 0.000 1.199 184 D HN -0.659 7.819 8.370 0.278 0.060 0.426 185 V N 2.465 122.435 119.914 0.093 0.000 2.465 185 V HA 0.433 nan 4.120 nan 0.000 0.279 185 V C -0.982 175.089 176.094 -0.039 0.000 1.045 185 V CA -0.103 62.213 62.300 0.026 0.000 0.938 185 V CB 0.919 32.703 31.823 -0.065 0.000 0.986 185 V HN -0.040 8.203 8.190 0.088 0.000 0.467 186 V N 7.777 127.617 119.914 -0.124 0.000 2.409 186 V HA 0.606 nan 4.120 nan 0.000 0.291 186 V C -1.424 174.386 176.094 -0.473 0.000 1.020 186 V CA -1.529 60.561 62.300 -0.350 0.000 0.848 186 V CB 1.532 32.969 31.823 -0.643 0.000 0.990 186 V HN 0.333 8.512 8.190 -0.019 0.000 0.430 187 L N 7.529 128.507 121.223 -0.408 0.000 2.281 187 L HA 0.589 nan 4.340 nan 0.000 0.285 187 L C -1.847 174.735 176.870 -0.480 0.000 1.074 187 L CA -0.491 54.123 54.840 -0.377 0.000 0.817 187 L CB 1.515 43.413 42.059 -0.269 0.000 1.168 187 L HN 0.795 8.769 8.230 -0.251 0.106 0.434 188 F N 5.603 125.384 119.950 -0.282 0.000 2.492 188 F HA 0.479 nan 4.527 nan 0.000 0.327 188 F C -1.150 174.618 175.800 -0.053 0.000 1.079 188 F CA -1.519 56.355 58.000 -0.212 0.000 0.967 188 F CB 3.260 41.817 39.000 -0.739 0.000 1.169 188 F HN 0.784 8.821 8.300 -0.438 0.000 0.472 189 H N 1.795 121.029 119.070 0.273 0.000 2.511 189 H HA 0.060 nan 4.556 nan 0.000 0.346 189 H C 0.509 176.012 175.328 0.291 0.000 1.128 189 H CA 0.111 56.308 56.048 0.248 0.000 1.342 189 H CB 1.404 31.300 29.762 0.222 0.000 1.470 189 H HN 0.285 9.001 8.280 0.728 0.000 0.546 190 G N 2.521 111.437 108.800 0.193 0.000 2.604 190 G HA2 -0.300 nan 3.960 nan 0.000 0.216 190 G HA3 -0.300 nan 3.960 nan 0.000 0.216 190 G C -1.738 173.193 174.900 0.052 0.000 1.265 190 G CA 1.750 46.664 45.100 -0.309 0.000 0.804 190 G HN 0.448 8.848 8.290 0.185 0.000 0.579 191 Y N -4.307 116.167 120.300 0.291 0.000 2.656 191 Y HA 0.026 nan 4.550 nan 0.000 0.334 191 Y C -1.346 174.796 175.900 0.403 0.000 1.179 191 Y CA -0.684 57.653 58.100 0.395 0.000 1.050 191 Y CB 3.831 42.495 38.460 0.340 0.000 1.308 191 Y HN -0.776 7.786 8.280 0.471 0.000 0.456 192 C N 1.107 120.725 119.300 0.531 0.000 4.058 192 C HA -0.283 nan 4.460 nan 0.000 0.307 192 C C -0.489 174.687 174.990 0.311 0.000 1.247 192 C CA 0.349 59.556 59.018 0.314 0.000 2.165 192 C CB -2.587 25.227 27.740 0.123 0.000 1.350 192 C HN 0.282 9.214 8.230 0.625 -0.327 0.648 193 H N 2.128 121.345 119.070 0.245 0.000 3.070 193 H HA -0.191 nan 4.556 nan 0.000 0.313 193 H C -1.178 174.219 175.328 0.115 0.000 0.997 193 H CA 0.923 57.060 56.048 0.149 0.000 1.438 193 H CB 1.093 30.862 29.762 0.011 0.000 1.455 193 H HN -0.187 8.701 8.280 0.423 -0.354 0.575 194 N N 6.581 125.165 118.700 -0.194 0.000 2.425 194 N HA 0.227 nan 4.740 nan 0.000 0.268 194 N C -1.642 173.673 175.510 -0.326 0.000 0.991 194 N CA -3.629 49.395 53.050 -0.043 0.000 0.931 194 N CB 1.605 40.217 38.487 0.207 0.000 1.130 194 N HN -0.425 7.921 8.380 -0.056 0.000 0.493 195 P HA 0.161 nan 4.420 nan 0.000 0.267 195 P C -0.402 176.693 177.300 -0.341 0.000 1.289 195 P CA 0.106 63.014 63.100 -0.320 0.000 0.866 195 P CB 0.642 32.115 31.700 -0.378 0.000 1.309 196 T N -6.555 107.821 114.554 -0.296 0.000 2.942 196 T HA 0.014 nan 4.350 nan 0.000 0.265 196 T C 1.765 176.522 174.700 0.095 0.000 1.062 196 T CA 1.234 63.156 62.100 -0.297 0.000 1.139 196 T CB 0.528 69.147 68.868 -0.415 0.000 0.883 196 T HN -0.721 7.531 8.240 0.020 0.000 0.468 197 G N 2.209 111.133 108.800 0.207 0.000 2.179 197 G HA2 -0.349 nan 3.960 nan 0.000 0.260 197 G HA3 -0.349 nan 3.960 nan 0.000 0.260 197 G C -0.563 174.491 174.900 0.258 0.000 0.977 197 G CA 0.704 45.946 45.100 0.236 0.000 0.641 197 G HN 0.282 8.615 8.290 0.256 0.110 0.533 198 I N 3.078 123.796 120.570 0.246 0.000 2.325 198 I HA 0.152 nan 4.170 nan 0.000 0.291 198 I C -1.512 174.728 176.117 0.205 0.000 1.019 198 I CA -1.179 60.248 61.300 0.212 0.000 1.302 198 I CB -0.734 37.384 38.000 0.197 0.000 1.401 198 I HN -0.590 7.667 8.210 0.221 0.086 0.485 199 D N 8.265 128.764 120.400 0.165 0.000 2.527 199 D HA 0.353 nan 4.640 nan 0.000 0.233 199 D C -2.271 173.990 176.300 -0.065 0.000 1.063 199 D CA -3.047 51.013 54.000 0.100 0.000 0.880 199 D CB 1.526 42.398 40.800 0.120 0.000 1.457 199 D HN 0.012 8.483 8.370 0.169 0.000 0.475 200 P HA 0.092 nan 4.420 nan 0.000 0.272 200 P C -0.760 176.380 177.300 -0.266 0.000 1.223 200 P CA -0.144 62.639 63.100 -0.529 0.000 0.784 200 P CB 0.826 31.801 31.700 -1.207 0.000 0.923 201 T N -0.941 113.503 114.554 -0.184 0.000 2.766 201 T HA 0.029 nan 4.350 nan 0.000 0.295 201 T C 1.353 176.152 174.700 0.164 0.000 1.024 201 T CA -0.963 61.157 62.100 0.033 0.000 1.018 201 T CB 1.361 70.204 68.868 -0.042 0.000 1.002 201 T HN 0.101 8.501 8.240 -0.307 -0.344 0.532 202 L N 0.078 121.468 121.223 0.277 0.000 2.083 202 L HA -0.346 nan 4.340 nan 0.000 0.209 202 L C 2.094 179.098 176.870 0.223 0.000 1.083 202 L CA 3.889 58.940 54.840 0.352 0.000 0.752 202 L CB -0.226 41.986 42.059 0.254 0.000 0.899 202 L HN 0.419 8.790 8.230 0.233 0.000 0.433 203 E N -1.522 118.733 120.200 0.092 0.000 2.085 203 E HA -0.426 nan 4.350 nan 0.000 0.194 203 E C 2.430 179.018 176.600 -0.021 0.000 0.994 203 E CA 3.659 60.077 56.400 0.029 0.000 0.801 203 E CB -0.408 29.281 29.700 -0.019 0.000 0.743 203 E HN 0.354 8.753 8.360 0.076 0.007 0.453 204 Q N -0.877 118.819 119.800 -0.173 0.000 2.170 204 Q HA -0.286 nan 4.340 nan 0.000 0.203 204 Q C 2.597 178.561 176.000 -0.060 0.000 0.976 204 Q CA 2.900 58.461 55.803 -0.404 0.000 0.858 204 Q CB -0.121 28.048 28.738 -0.949 0.000 0.907 204 Q HN -0.463 7.624 8.270 -0.176 0.077 0.433 205 W N -0.408 120.919 121.300 0.045 0.000 2.388 205 W HA -0.390 nan 4.660 nan 0.000 0.294 205 W C 2.383 178.983 176.519 0.134 0.000 1.212 205 W CA 3.110 60.551 57.345 0.159 0.000 1.271 205 W CB 0.007 29.573 29.460 0.177 0.000 1.126 205 W HN -0.075 8.096 8.180 0.172 0.112 0.535 206 Q N -1.937 118.036 119.800 0.289 0.000 2.119 206 Q HA -0.363 nan 4.340 nan 0.000 0.201 206 Q C 2.710 178.757 176.000 0.079 0.000 0.972 206 Q CA 3.962 59.846 55.803 0.135 0.000 0.847 206 Q CB -0.243 28.550 28.738 0.092 0.000 0.903 206 Q HN 0.167 8.516 8.270 0.267 0.082 0.433 207 T N 3.864 118.489 114.554 0.119 0.000 2.708 207 T HA -0.268 nan 4.350 nan 0.000 0.266 207 T C 1.994 176.782 174.700 0.147 0.000 1.037 207 T CA 5.178 67.357 62.100 0.132 0.000 1.146 207 T CB -0.571 68.421 68.868 0.208 0.000 0.865 207 T HN -0.116 8.189 8.240 0.126 0.011 0.435 208 L N -0.069 121.301 121.223 0.246 0.000 2.083 208 L HA -0.376 nan 4.340 nan 0.000 0.209 208 L C 1.654 178.541 176.870 0.029 0.000 1.083 208 L CA 3.318 58.323 54.840 0.275 0.000 0.752 208 L CB -0.697 41.609 42.059 0.412 0.000 0.899 208 L HN -0.013 8.396 8.230 0.298 0.000 0.433 209 A N -1.779 120.850 122.820 -0.317 0.000 1.930 209 A HA -0.331 nan 4.320 nan 0.000 0.217 209 A C 2.026 179.427 177.584 -0.306 0.000 1.175 209 A CA 3.205 54.749 52.037 -0.822 0.000 0.627 209 A CB -0.798 17.765 19.000 -0.729 0.000 0.815 209 A HN 0.055 8.043 8.150 -0.089 0.108 0.443 210 Q N -1.685 118.008 119.800 -0.178 0.000 2.123 210 Q HA -0.254 nan 4.340 nan 0.000 0.199 210 Q C 2.152 178.042 176.000 -0.184 0.000 0.966 210 Q CA 2.468 58.177 55.803 -0.158 0.000 0.845 210 Q CB -0.131 28.547 28.738 -0.100 0.000 0.907 210 Q HN -0.347 7.849 8.270 -0.124 0.000 0.439 211 L N 1.088 122.222 121.223 -0.149 0.000 2.012 211 L HA -0.358 nan 4.340 nan 0.000 0.210 211 L C 1.739 178.287 176.870 -0.536 0.000 1.073 211 L CA 2.922 57.610 54.840 -0.254 0.000 0.748 211 L CB -0.201 41.792 42.059 -0.110 0.000 0.891 211 L HN -0.017 8.165 8.230 -0.080 0.000 0.431 212 S N -1.462 114.044 115.700 -0.323 0.000 2.402 212 S HA -0.379 nan 4.470 nan 0.000 0.229 212 S C 2.300 176.745 174.600 -0.258 0.000 1.021 212 S CA 3.286 61.308 58.200 -0.298 0.000 0.974 212 S CB -0.230 63.381 63.200 0.684 0.000 0.800 212 S HN -0.168 8.112 8.310 -0.051 0.000 0.484 213 V N 1.433 121.177 119.914 -0.284 0.000 2.548 213 V HA -0.230 nan 4.120 nan 0.000 0.249 213 V C 1.395 177.305 176.094 -0.307 0.000 1.055 213 V CA 2.696 64.759 62.300 -0.395 0.000 1.065 213 V CB -0.522 30.998 31.823 -0.504 0.000 0.681 213 V HN -0.515 7.504 8.190 -0.249 0.021 0.462 214 E N -0.940 119.060 120.200 -0.333 0.000 2.076 214 E HA -0.204 nan 4.350 nan 0.000 0.190 214 E C 1.665 178.056 176.600 -0.349 0.000 0.979 214 E CA 2.000 58.224 56.400 -0.293 0.000 0.807 214 E CB 0.556 30.094 29.700 -0.269 0.000 0.761 214 E HN -0.459 7.564 8.360 -0.359 0.122 0.454 215 K N -4.527 115.514 120.400 -0.598 0.000 2.487 215 K HA 0.007 nan 4.320 nan 0.000 0.192 215 K C 0.430 176.746 176.600 -0.474 0.000 1.027 215 K CA -0.442 55.450 56.287 -0.658 0.000 1.054 215 K CB 0.340 32.116 32.500 -1.208 0.000 0.824 215 K HN -0.128 7.664 8.250 -0.763 0.000 0.510 216 G N -1.462 107.131 108.800 -0.347 0.000 2.160 216 G HA2 -0.306 nan 3.960 nan 0.000 0.244 216 G HA3 -0.306 nan 3.960 nan 0.000 0.244 216 G C -0.076 174.909 174.900 0.143 0.000 1.022 216 G CA 0.266 45.321 45.100 -0.074 0.000 0.741 216 G HN -0.476 7.525 8.290 -0.387 0.056 0.508 217 W N -1.622 119.741 121.300 0.104 0.000 2.237 217 W HA 0.360 nan 4.660 nan 0.000 0.335 217 W C -1.354 175.292 176.519 0.211 0.000 1.230 217 W CA -2.088 55.334 57.345 0.129 0.000 1.253 217 W CB 0.479 30.017 29.460 0.130 0.000 1.129 217 W HN -0.470 7.618 8.180 -0.152 0.000 0.590 218 L N 2.111 123.579 121.223 0.409 0.000 2.276 218 L HA 0.444 nan 4.340 nan 0.000 0.286 218 L C -2.338 174.712 176.870 0.299 0.000 1.024 218 L CA -3.902 51.138 54.840 0.332 0.000 0.826 218 L CB 2.410 44.613 42.059 0.239 0.000 1.211 218 L HN 0.485 8.923 8.230 0.347 0.000 0.422 219 P HA 0.345 nan 4.420 nan 0.000 0.280 219 P C -2.319 175.108 177.300 0.212 0.000 1.244 219 P CA -0.395 62.880 63.100 0.290 0.000 0.784 219 P CB 0.373 32.287 31.700 0.357 0.000 0.913 220 L N 3.166 124.434 121.223 0.075 0.000 2.372 220 L HA 0.603 nan 4.340 nan 0.000 0.273 220 L C -2.072 174.817 176.870 0.031 0.000 0.989 220 L CA -0.956 53.950 54.840 0.110 0.000 0.841 220 L CB 2.763 44.849 42.059 0.046 0.000 1.225 220 L HN 0.242 8.442 8.230 -0.049 0.000 0.414 221 F N 5.881 125.873 119.950 0.070 0.000 2.408 221 F HA 0.423 nan 4.527 nan 0.000 0.344 221 F C -1.733 174.088 175.800 0.036 0.000 1.112 221 F CA -0.495 57.518 58.000 0.021 0.000 1.096 221 F CB 2.336 41.276 39.000 -0.099 0.000 1.129 221 F HN 0.735 9.303 8.300 0.448 0.000 0.486 222 D N 4.509 124.996 120.400 0.146 0.000 2.412 222 D HA 0.323 nan 4.640 nan 0.000 0.224 222 D C -1.633 174.750 176.300 0.138 0.000 1.093 222 D CA -1.329 52.723 54.000 0.086 0.000 0.850 222 D CB 1.364 42.144 40.800 -0.034 0.000 1.046 222 D HN 0.643 9.057 8.370 0.073 0.000 0.507 223 F N 8.418 128.376 119.950 0.014 0.000 2.311 223 F HA 0.355 nan 4.527 nan 0.000 0.371 223 F C -2.106 173.622 175.800 -0.120 0.000 1.083 223 F CA -2.111 55.889 58.000 -0.001 0.000 1.113 223 F CB 1.122 40.095 39.000 -0.045 0.000 1.349 223 F HN 0.533 8.982 8.300 0.248 0.000 0.470 224 A N 5.250 128.123 122.820 0.088 0.000 2.469 224 A HA 0.185 nan 4.320 nan 0.000 0.245 224 A C -1.849 175.455 177.584 -0.468 0.000 1.221 224 A CA 0.495 52.359 52.037 -0.287 0.000 0.946 224 A CB 1.389 20.079 19.000 -0.516 0.000 1.049 224 A HN 0.231 8.513 8.150 0.220 0.000 0.529 225 Y N -3.419 116.986 120.300 0.175 0.000 2.666 225 Y HA 0.126 nan 4.550 nan 0.000 0.264 225 Y C -1.562 174.554 175.900 0.360 0.000 1.054 225 Y CA -2.360 55.885 58.100 0.242 0.000 1.121 225 Y CB -0.061 38.486 38.460 0.144 0.000 1.190 225 Y HN -0.340 8.154 8.280 0.357 0.000 0.587 226 Q N 1.247 121.193 119.800 0.244 0.000 2.271 226 Q HA -0.280 nan 4.340 nan 0.000 0.273 226 Q C 0.593 176.666 176.000 0.122 0.000 1.051 226 Q CA 1.847 57.694 55.803 0.073 0.000 0.901 226 Q CB -0.256 28.210 28.738 -0.453 0.000 1.174 226 Q HN 0.050 8.357 8.270 0.061 0.000 0.385 227 G N 4.796 113.650 108.800 0.090 0.000 2.195 227 G HA2 -0.382 nan 3.960 nan 0.000 0.224 227 G HA3 -0.382 nan 3.960 nan 0.000 0.224 227 G C -0.446 174.363 174.900 -0.150 0.000 0.990 227 G CA 0.112 45.155 45.100 -0.094 0.000 0.639 227 G HN 0.528 9.138 8.290 0.138 -0.237 0.514 228 F N 1.211 121.192 119.950 0.051 0.000 2.776 228 F HA 0.076 nan 4.527 nan 0.000 0.300 228 F C -0.246 175.566 175.800 0.020 0.000 1.116 228 F CA 1.388 59.409 58.000 0.034 0.000 1.375 228 F CB 0.095 39.149 39.000 0.090 0.000 1.109 228 F HN -0.349 8.197 8.300 0.464 0.032 0.585 229 A N -0.716 122.213 122.820 0.180 0.000 1.941 229 A HA 0.094 nan 4.320 nan 0.000 0.214 229 A C 0.515 178.107 177.584 0.014 0.000 1.368 229 A CA 1.604 53.709 52.037 0.114 0.000 0.651 229 A CB 0.359 19.439 19.000 0.132 0.000 1.064 229 A HN -0.147 8.366 8.150 0.168 -0.263 0.492 230 R N -4.138 116.327 120.500 -0.060 0.000 2.383 230 R HA 0.108 nan 4.340 nan 0.000 0.205 230 R C -0.492 175.745 176.300 -0.105 0.000 0.875 230 R CA -0.035 56.017 56.100 -0.081 0.000 1.039 230 R CB 3.325 33.563 30.300 -0.102 0.000 1.267 230 R HN -0.164 8.514 8.270 -0.086 -0.460 0.635 234 E N -0.594 119.575 120.200 -0.052 0.000 2.216 234 E HA -0.182 nan 4.350 nan 0.000 0.192 234 E C 0.965 177.551 176.600 -0.024 0.000 0.988 234 E CA 1.930 58.313 56.400 -0.028 0.000 0.834 234 E CB -0.098 29.585 29.700 -0.028 0.000 0.772 234 E HN 0.222 8.541 8.360 -0.068 0.000 0.479 235 E N -0.911 119.254 120.200 -0.058 0.000 2.112 235 E HA -0.122 nan 4.350 nan 0.000 0.190 235 E C 1.751 178.249 176.600 -0.171 0.000 0.979 235 E CA 2.433 58.776 56.400 -0.094 0.000 0.814 235 E CB -0.204 29.426 29.700 -0.116 0.000 0.762 235 E HN 0.057 8.348 8.360 -0.071 0.027 0.460 236 D N -0.647 119.672 120.400 -0.135 0.000 2.348 236 D HA -0.091 nan 4.640 nan 0.000 0.216 236 D C 0.196 176.656 176.300 0.266 0.000 0.970 236 D CA 2.111 56.047 54.000 -0.106 0.000 0.889 236 D CB -0.545 40.314 40.800 0.099 0.000 0.912 236 D HN 0.106 8.427 8.370 -0.081 0.000 0.524 237 A N -2.895 120.057 122.820 0.220 0.000 2.275 237 A HA 0.147 nan 4.320 nan 0.000 0.212 237 A C 0.680 178.295 177.584 0.052 0.000 1.201 237 A CA 0.501 52.708 52.037 0.283 0.000 0.843 237 A CB -0.217 18.900 19.000 0.196 0.000 0.873 237 A HN -0.615 7.433 8.150 0.094 0.158 0.492 238 E N 0.314 120.547 120.200 0.055 0.000 2.049 238 E HA -0.455 nan 4.350 nan 0.000 0.198 238 E C 2.325 178.861 176.600 -0.108 0.000 1.007 238 E CA 3.426 59.844 56.400 0.030 0.000 0.809 238 E CB -0.531 29.237 29.700 0.113 0.000 0.749 238 E HN -0.536 7.798 8.360 0.074 0.070 0.450 239 G N -1.510 107.053 108.800 -0.396 0.000 2.446 239 G HA2 -0.255 nan 3.960 nan 0.000 0.217 239 G HA3 -0.255 nan 3.960 nan 0.000 0.217 239 G C 1.168 175.677 174.900 -0.652 0.000 1.168 239 G CA 1.801 46.270 45.100 -1.052 0.000 0.771 239 G HN 0.319 8.499 8.290 -0.183 0.000 0.551 240 L N 0.754 121.479 121.223 -0.831 0.000 2.083 240 L HA -0.245 nan 4.340 nan 0.000 0.209 240 L C 1.744 178.432 176.870 -0.303 0.000 1.083 240 L CA 2.186 56.434 54.840 -0.987 0.000 0.752 240 L CB -0.134 41.274 42.059 -1.085 0.000 0.899 240 L HN -0.342 7.401 8.230 -0.812 0.000 0.433 241 R N -1.666 118.765 120.500 -0.114 0.000 2.119 241 R HA -0.288 nan 4.340 nan 0.000 0.222 241 R C 2.202 178.546 176.300 0.074 0.000 1.088 241 R CA 3.279 59.407 56.100 0.046 0.000 0.984 241 R CB -0.376 29.963 30.300 0.065 0.000 0.884 241 R HN -0.065 8.002 8.270 -0.158 0.109 0.447 242 A N 0.401 123.267 122.820 0.076 0.000 1.908 242 A HA -0.223 nan 4.320 nan 0.000 0.218 242 A C 1.846 179.523 177.584 0.155 0.000 1.181 242 A CA 2.938 55.047 52.037 0.120 0.000 0.627 242 A CB -0.759 18.344 19.000 0.172 0.000 0.818 242 A HN -0.070 8.009 8.150 0.017 0.081 0.445 243 F N -2.432 117.529 119.950 0.019 0.000 2.113 243 F HA -0.337 nan 4.527 nan 0.000 0.297 243 F C 1.549 177.421 175.800 0.120 0.000 1.103 243 F CA 3.222 61.278 58.000 0.094 0.000 1.248 243 F CB 0.008 39.026 39.000 0.030 0.000 0.999 243 F HN -0.582 7.861 8.300 0.378 0.083 0.475 244 A N -1.681 121.274 122.820 0.224 0.000 1.978 244 A HA -0.376 nan 4.320 nan 0.000 0.220 244 A C 1.463 179.088 177.584 0.068 0.000 1.170 244 A CA 2.812 54.914 52.037 0.108 0.000 0.636 244 A CB -1.080 17.941 19.000 0.035 0.000 0.810 244 A HN -0.001 8.191 8.150 0.188 0.071 0.448 245 A N -3.645 119.220 122.820 0.075 0.000 2.070 245 A HA -0.175 nan 4.320 nan 0.000 0.220 245 A C 1.152 178.756 177.584 0.034 0.000 1.159 245 A CA 2.547 54.607 52.037 0.038 0.000 0.656 245 A CB -0.123 18.899 19.000 0.037 0.000 0.800 245 A HN -0.207 7.977 8.150 0.099 0.026 0.453 246 M N -8.649 110.994 119.600 0.073 0.000 2.289 246 M HA 0.202 nan 4.480 nan 0.000 0.335 246 M C -0.549 175.736 176.300 -0.025 0.000 0.961 246 M CA 0.459 55.763 55.300 0.006 0.000 1.018 246 M CB 2.133 34.698 32.600 -0.058 0.000 1.678 246 M HN -0.710 7.515 8.290 0.142 0.149 0.589 247 H N 0.986 120.069 119.070 0.023 0.000 2.463 247 H HA 0.251 nan 4.556 nan 0.000 0.332 247 H C 0.141 175.497 175.328 0.047 0.000 1.127 247 H CA -0.043 56.042 56.048 0.062 0.000 1.238 247 H CB 2.756 32.617 29.762 0.165 0.000 1.478 247 H HN -0.395 8.059 8.280 0.291 0.000 0.499 248 K N 2.610 123.088 120.400 0.130 0.000 2.305 248 K HA -0.017 nan 4.320 nan 0.000 0.199 248 K C -0.353 176.322 176.600 0.124 0.000 1.047 248 K CA 1.537 57.877 56.287 0.088 0.000 0.976 248 K CB 1.115 33.645 32.500 0.050 0.000 0.765 248 K HN 0.640 8.943 8.250 0.087 0.000 0.474 249 E N -3.305 117.017 120.200 0.202 0.000 2.356 249 E HA 0.633 nan 4.350 nan 0.000 0.275 249 E C -2.280 174.477 176.600 0.263 0.000 0.904 249 E CA -0.790 55.734 56.400 0.206 0.000 0.757 249 E CB 3.784 33.604 29.700 0.200 0.000 1.232 249 E HN -0.366 8.124 8.360 0.268 0.031 0.442 250 L N -4.584 116.778 121.223 0.232 0.000 2.921 250 L HA 0.771 nan 4.340 nan 0.000 0.261 250 L C -2.624 174.396 176.870 0.250 0.000 0.984 250 L CA 0.451 55.446 54.840 0.259 0.000 0.951 250 L CB 3.352 45.572 42.059 0.267 0.000 1.495 250 L HN 0.230 8.581 8.230 0.201 0.000 0.414 251 I N -1.826 118.907 120.570 0.272 0.000 2.647 251 I HA 0.849 nan 4.170 nan 0.000 0.295 251 I C -2.955 173.327 176.117 0.275 0.000 1.078 251 I CA -1.955 59.496 61.300 0.251 0.000 1.048 251 I CB 3.887 42.029 38.000 0.237 0.000 1.239 251 I HN 0.058 8.440 8.210 0.287 0.000 0.421 252 V N 5.937 125.996 119.914 0.242 0.000 2.531 252 V HA 0.843 nan 4.120 nan 0.000 0.301 252 V C -2.663 173.534 176.094 0.171 0.000 1.034 252 V CA -2.849 59.590 62.300 0.231 0.000 0.865 252 V CB 3.868 35.807 31.823 0.194 0.000 0.995 252 V HN 0.802 9.123 8.190 0.218 0.000 0.424 253 A N 8.686 131.612 122.820 0.176 0.000 2.273 253 A HA 0.824 nan 4.320 nan 0.000 0.320 253 A C -2.090 175.541 177.584 0.079 0.000 1.358 253 A CA -2.151 49.962 52.037 0.126 0.000 0.910 253 A CB 0.890 19.977 19.000 0.146 0.000 1.159 253 A HN 0.955 9.233 8.150 0.214 0.000 0.526 254 S N 3.524 119.219 115.700 -0.008 0.000 2.621 254 S HA 0.930 nan 4.470 nan 0.000 0.302 254 S C -1.105 173.354 174.600 -0.234 0.000 1.093 254 S CA -2.208 55.907 58.200 -0.142 0.000 1.017 254 S CB 2.290 65.305 63.200 -0.309 0.000 1.077 254 S HN 0.887 9.092 8.310 -0.006 0.101 0.517 255 S N 0.702 116.201 115.700 -0.336 0.000 2.526 255 S HA 0.499 nan 4.470 nan 0.000 0.293 255 S C -0.518 173.846 174.600 -0.394 0.000 1.092 255 S CA -1.378 56.647 58.200 -0.292 0.000 0.980 255 S CB 1.702 64.759 63.200 -0.238 0.000 1.048 255 S HN 0.233 8.338 8.310 -0.342 0.000 0.483 256 Y N 3.541 123.796 120.300 -0.075 0.000 2.612 256 Y HA 0.299 nan 4.550 nan 0.000 0.250 256 Y C 0.560 176.432 175.900 -0.046 0.000 1.175 256 Y CA -0.299 57.779 58.100 -0.036 0.000 1.205 256 Y CB 0.865 39.203 38.460 -0.205 0.000 1.201 256 Y HN 0.472 8.771 8.280 0.031 0.000 0.532 257 S N 2.162 117.862 115.700 -0.001 0.000 2.368 257 S HA -0.391 nan 4.470 nan 0.000 0.225 257 S C 1.215 175.599 174.600 -0.361 0.000 1.030 257 S CA 4.115 62.234 58.200 -0.135 0.000 0.999 257 S CB 0.049 63.226 63.200 -0.038 0.000 0.844 257 S HN -0.317 7.896 8.310 -0.043 0.071 0.459 258 K N -1.266 119.049 120.400 -0.141 0.000 2.128 258 K HA -0.102 nan 4.320 nan 0.000 0.202 258 K C 1.699 178.488 176.600 0.314 0.000 1.050 258 K CA 2.906 59.194 56.287 0.001 0.000 0.966 258 K CB 0.001 32.439 32.500 -0.102 0.000 0.759 258 K HN 0.190 8.370 8.250 -0.117 0.000 0.454 259 N N -1.443 117.499 118.700 0.404 0.000 2.494 259 N HA -0.113 nan 4.740 nan 0.000 0.182 259 N C 0.388 176.102 175.510 0.339 0.000 1.076 259 N CA 1.903 55.202 53.050 0.415 0.000 0.908 259 N CB -0.682 38.042 38.487 0.396 0.000 0.967 259 N HN 0.257 8.809 8.380 0.288 0.000 0.449 260 F N -2.166 117.870 119.950 0.145 0.000 2.706 260 F HA 0.159 nan 4.527 nan 0.000 0.313 260 F C -0.484 175.282 175.800 -0.057 0.000 1.096 260 F CA -0.740 57.288 58.000 0.047 0.000 1.219 260 F CB 0.963 39.878 39.000 -0.141 0.000 1.051 260 F HN -0.855 7.626 8.300 0.372 0.042 0.568 261 G N -0.601 108.173 108.800 -0.045 0.000 2.258 261 G HA2 -0.342 nan 3.960 nan 0.000 0.274 261 G HA3 -0.342 nan 3.960 nan 0.000 0.274 261 G C 0.259 175.005 174.900 -0.256 0.000 1.021 261 G CA 0.977 45.924 45.100 -0.255 0.000 0.798 261 G HN -0.694 7.458 8.290 -0.037 0.116 0.507 262 L N -1.108 119.961 121.223 -0.256 0.000 2.728 262 L HA 0.153 nan 4.340 nan 0.000 0.235 262 L C 0.882 177.711 176.870 -0.068 0.000 1.197 262 L CA -1.594 53.188 54.840 -0.096 0.000 0.992 262 L CB -0.702 41.325 42.059 -0.054 0.000 1.263 262 L HN -0.680 7.376 8.230 -0.246 0.027 0.484 263 Y N -0.205 120.148 120.300 0.089 0.000 2.024 263 Y HA -0.672 nan 4.550 nan 0.000 0.257 263 Y C 1.368 177.293 175.900 0.041 0.000 1.233 263 Y CA 3.910 62.047 58.100 0.062 0.000 1.087 263 Y CB -1.688 36.813 38.460 0.068 0.000 0.905 263 Y HN -0.425 7.306 8.280 -0.762 0.091 0.503 264 N N -4.579 114.250 118.700 0.215 0.000 2.461 264 N HA -0.113 nan 4.740 nan 0.000 0.188 264 N C 0.743 176.292 175.510 0.066 0.000 1.134 264 N CA 1.058 54.179 53.050 0.118 0.000 0.878 264 N CB -0.989 37.558 38.487 0.101 0.000 0.972 264 N HN -0.068 8.469 8.380 0.262 0.000 0.456 265 E N -0.795 119.438 120.200 0.055 0.000 2.447 265 E HA 0.031 nan 4.350 nan 0.000 0.195 265 E C -1.105 175.484 176.600 -0.018 0.000 1.028 265 E CA -0.633 55.783 56.400 0.027 0.000 0.876 265 E CB 0.293 30.015 29.700 0.037 0.000 0.885 265 E HN -0.303 7.925 8.360 0.066 0.173 0.500 266 R N -3.031 117.461 120.500 -0.012 0.000 2.873 266 R HA -0.398 nan 4.340 nan 0.000 0.281 266 R C -1.185 175.071 176.300 -0.072 0.000 0.933 266 R CA 0.577 56.654 56.100 -0.038 0.000 0.712 266 R CB -2.832 27.430 30.300 -0.063 0.000 1.780 266 R HN -0.570 7.667 8.270 0.018 0.044 0.488 267 V N 0.602 120.494 119.914 -0.038 0.000 2.407 267 V HA 0.658 nan 4.120 nan 0.000 0.291 267 V C -1.579 174.601 176.094 0.143 0.000 1.018 267 V CA -1.253 61.038 62.300 -0.015 0.000 0.842 267 V CB 1.795 33.584 31.823 -0.058 0.000 0.996 267 V HN 0.154 8.336 8.190 -0.013 0.000 0.426 268 G N 5.207 114.116 108.800 0.182 0.000 2.600 268 G HA2 0.772 nan 3.960 nan 0.000 0.293 268 G HA3 0.772 nan 3.960 nan 0.000 0.293 268 G C -3.323 171.758 174.900 0.301 0.000 1.408 268 G CA -0.089 45.127 45.100 0.193 0.000 0.782 268 G HN -0.216 8.126 8.290 0.087 0.000 0.482 269 A N -2.327 120.600 122.820 0.178 0.000 2.520 269 A HA 0.856 nan 4.320 nan 0.000 0.298 269 A C -2.823 174.836 177.584 0.125 0.000 1.051 269 A CA -1.303 50.857 52.037 0.205 0.000 0.690 269 A CB 3.431 22.522 19.000 0.151 0.000 1.281 269 A HN 0.434 8.510 8.150 0.051 0.105 0.402 270 C N 3.282 122.680 119.300 0.163 0.000 2.294 270 C HA 0.774 nan 4.460 nan 0.000 0.319 270 C C -1.272 173.811 174.990 0.155 0.000 1.164 270 C CA -1.941 57.169 59.018 0.154 0.000 1.497 270 C CB 0.217 28.056 27.740 0.166 0.000 2.061 270 C HN 0.456 8.809 8.230 0.204 0.000 0.438 271 T N 9.450 124.080 114.554 0.127 0.000 2.824 271 T HA 0.734 nan 4.350 nan 0.000 0.280 271 T C -2.385 172.400 174.700 0.141 0.000 0.995 271 T CA -1.707 60.464 62.100 0.118 0.000 1.009 271 T CB 2.051 70.986 68.868 0.111 0.000 0.955 271 T HN 1.025 9.336 8.240 0.118 0.000 0.452 272 L N 7.691 128.967 121.223 0.089 0.000 2.305 272 L HA 0.912 nan 4.340 nan 0.000 0.284 272 L C -2.411 174.497 176.870 0.063 0.000 1.013 272 L CA -0.951 53.939 54.840 0.083 0.000 0.819 272 L CB 3.071 45.154 42.059 0.041 0.000 1.227 272 L HN 0.566 8.813 8.230 0.027 0.000 0.417 273 V N 5.821 125.791 119.914 0.094 0.000 2.555 273 V HA 0.928 nan 4.120 nan 0.000 0.302 273 V C -2.503 173.635 176.094 0.074 0.000 1.038 273 V CA -3.115 59.209 62.300 0.039 0.000 0.887 273 V CB 3.740 35.538 31.823 -0.042 0.000 0.991 273 V HN 0.896 9.169 8.190 0.138 0.000 0.434 274 A N 5.181 128.031 122.820 0.050 0.000 2.437 274 A HA 0.692 nan 4.320 nan 0.000 0.288 274 A C -0.628 176.982 177.584 0.042 0.000 1.201 274 A CA -1.590 50.491 52.037 0.073 0.000 0.795 274 A CB 3.281 22.333 19.000 0.087 0.000 1.359 274 A HN 0.435 8.595 8.150 0.017 0.000 0.435 275 A N -2.309 120.539 122.820 0.048 0.000 1.933 275 A HA -0.245 nan 4.320 nan 0.000 0.218 275 A C -0.873 176.718 177.584 0.012 0.000 1.175 275 A CA 2.541 54.595 52.037 0.028 0.000 0.628 275 A CB 0.018 19.038 19.000 0.032 0.000 0.814 275 A HN 0.810 8.998 8.150 0.063 0.000 0.444 276 D N -6.983 113.426 120.400 0.016 0.000 2.664 276 D HA 0.078 nan 4.640 nan 0.000 0.292 276 D C 0.172 176.477 176.300 0.009 0.000 1.214 276 D CA -1.646 52.358 54.000 0.007 0.000 0.932 276 D CB 1.534 42.340 40.800 0.010 0.000 1.420 276 D HN -0.987 7.400 8.370 0.028 0.000 0.471 277 S N -0.323 115.379 115.700 0.002 0.000 2.356 277 S HA -0.454 nan 4.470 nan 0.000 0.223 277 S C 1.805 176.416 174.600 0.018 0.000 1.032 277 S CA 3.773 61.974 58.200 0.002 0.000 1.005 277 S CB 0.079 63.278 63.200 -0.003 0.000 0.867 277 S HN 0.506 8.815 8.310 -0.001 0.000 0.449 278 E N 0.966 121.180 120.200 0.024 0.000 2.077 278 E HA -0.262 nan 4.350 nan 0.000 0.193 278 E C 2.134 178.765 176.600 0.051 0.000 0.989 278 E CA 2.938 59.360 56.400 0.035 0.000 0.800 278 E CB -0.257 29.462 29.700 0.030 0.000 0.746 278 E HN 0.104 8.532 8.360 0.019 -0.057 0.452 279 T N 2.685 117.270 114.554 0.052 0.000 2.770 279 T HA -0.184 nan 4.350 nan 0.000 0.263 279 T C 1.943 176.699 174.700 0.092 0.000 1.039 279 T CA 4.655 66.798 62.100 0.072 0.000 1.142 279 T CB -0.221 68.687 68.868 0.067 0.000 0.868 279 T HN -0.401 8.119 8.240 0.041 -0.255 0.435 280 V N 1.701 121.658 119.914 0.072 0.000 2.407 280 V HA -0.450 nan 4.120 nan 0.000 0.248 280 V C 0.998 177.156 176.094 0.106 0.000 1.055 280 V CA 3.750 66.096 62.300 0.076 0.000 1.049 280 V CB -0.439 31.393 31.823 0.015 0.000 0.662 280 V HN -0.110 8.110 8.190 0.050 0.000 0.455 281 D N -0.521 119.932 120.400 0.090 0.000 2.117 281 D HA -0.231 nan 4.640 nan 0.000 0.198 281 D C 2.244 178.643 176.300 0.165 0.000 0.982 281 D CA 3.813 57.890 54.000 0.128 0.000 0.828 281 D CB -0.543 40.307 40.800 0.083 0.000 0.967 281 D HN -0.150 8.245 8.370 0.063 0.013 0.464 282 R N -0.026 120.550 120.500 0.128 0.000 2.096 282 R HA -0.301 nan 4.340 nan 0.000 0.235 282 R C 2.129 178.526 176.300 0.162 0.000 1.127 282 R CA 3.009 59.182 56.100 0.122 0.000 0.968 282 R CB -0.037 30.321 30.300 0.096 0.000 0.861 282 R HN -0.446 7.888 8.270 0.107 0.000 0.440 283 A N -1.284 121.656 122.820 0.199 0.000 1.968 283 A HA -0.170 nan 4.320 nan 0.000 0.217 283 A C 1.952 179.682 177.584 0.243 0.000 1.169 283 A CA 2.655 54.862 52.037 0.283 0.000 0.638 283 A CB -0.705 18.479 19.000 0.306 0.000 0.812 283 A HN 0.083 8.326 8.150 0.177 0.014 0.446 284 F N -0.387 119.573 119.950 0.018 0.000 2.259 284 F HA -0.258 nan 4.527 nan 0.000 0.298 284 F C 1.130 176.928 175.800 -0.003 0.000 1.088 284 F CA 1.096 59.070 58.000 -0.043 0.000 1.358 284 F CB 0.278 39.261 39.000 -0.027 0.000 1.040 284 F HN 0.003 8.268 8.300 0.311 0.222 0.505 285 S N -0.880 114.852 115.700 0.053 0.000 2.399 285 S HA -0.420 nan 4.470 nan 0.000 0.231 285 S C 2.227 176.798 174.600 -0.049 0.000 1.022 285 S CA 3.286 61.471 58.200 -0.025 0.000 0.983 285 S CB -0.391 62.833 63.200 0.040 0.000 0.803 285 S HN -0.097 8.306 8.310 0.156 0.000 0.480 286 Q N 0.889 120.718 119.800 0.048 0.000 2.187 286 Q HA -0.195 nan 4.340 nan 0.000 0.199 286 Q C 2.223 178.281 176.000 0.097 0.000 0.957 286 Q CA 1.992 57.868 55.803 0.120 0.000 0.857 286 Q CB -0.357 28.542 28.738 0.269 0.000 0.929 286 Q HN -0.701 7.526 8.270 0.110 0.110 0.453 287 M N 1.311 120.865 119.600 -0.078 0.000 2.132 287 M HA -0.379 nan 4.480 nan 0.000 0.263 287 M C 1.623 177.742 176.300 -0.301 0.000 1.065 287 M CA 3.943 59.093 55.300 -0.250 0.000 1.122 287 M CB 0.008 32.273 32.600 -0.559 0.000 1.365 287 M HN -0.514 7.606 8.290 -0.126 0.095 0.411 288 K N -1.693 118.436 120.400 -0.451 0.000 2.097 288 K HA -0.346 nan 4.320 nan 0.000 0.206 288 K C 2.084 178.558 176.600 -0.211 0.000 1.049 288 K CA 3.229 59.294 56.287 -0.370 0.000 0.933 288 K CB -0.322 31.943 32.500 -0.391 0.000 0.717 288 K HN 0.039 7.961 8.250 -0.540 0.004 0.442 289 A N -1.279 121.458 122.820 -0.139 0.000 1.930 289 A HA -0.154 nan 4.320 nan 0.000 0.217 289 A C 1.843 179.376 177.584 -0.085 0.000 1.175 289 A CA 2.785 54.769 52.037 -0.089 0.000 0.627 289 A CB -0.951 18.024 19.000 -0.041 0.000 0.815 289 A HN -0.436 7.550 8.150 -0.130 0.087 0.443 290 A N -1.528 121.255 122.820 -0.060 0.000 1.930 290 A HA -0.173 nan 4.320 nan 0.000 0.217 290 A C 1.627 179.137 177.584 -0.123 0.000 1.175 290 A CA 2.500 54.514 52.037 -0.038 0.000 0.627 290 A CB -0.647 18.385 19.000 0.053 0.000 0.815 290 A HN -0.494 7.526 8.150 -0.048 0.101 0.443 291 I N -2.474 117.973 120.570 -0.206 0.000 2.233 291 I HA -0.328 nan 4.170 nan 0.000 0.243 291 I C 1.678 177.514 176.117 -0.468 0.000 1.093 291 I CA 3.010 64.062 61.300 -0.413 0.000 1.380 291 I CB 0.153 37.926 38.000 -0.378 0.000 1.067 291 I HN -0.559 7.426 8.210 -0.186 0.113 0.413 292 R N 0.908 121.233 120.500 -0.291 0.000 2.105 292 R HA -0.327 nan 4.340 nan 0.000 0.239 292 R C 1.428 177.618 176.300 -0.183 0.000 1.135 292 R CA 2.485 58.449 56.100 -0.227 0.000 0.967 292 R CB -0.522 29.681 30.300 -0.161 0.000 0.861 292 R HN -0.117 8.008 8.270 -0.240 0.000 0.442 293 A N -3.644 119.087 122.820 -0.148 0.000 2.238 293 A HA 0.013 nan 4.320 nan 0.000 0.208 293 A C -0.026 177.508 177.584 -0.083 0.000 1.177 293 A CA 0.216 52.198 52.037 -0.093 0.000 0.804 293 A CB -0.007 18.958 19.000 -0.058 0.000 0.823 293 A HN -0.307 7.740 8.150 -0.149 0.014 0.482 294 N N -0.525 118.087 118.700 -0.148 0.000 2.660 294 N HA 0.035 nan 4.740 nan 0.000 0.231 294 N C 0.518 176.012 175.510 -0.026 0.000 1.022 294 N CA 0.969 53.972 53.050 -0.079 0.000 1.178 294 N CB 1.411 39.852 38.487 -0.076 0.000 1.536 294 N HN -0.294 7.732 8.380 -0.247 0.206 0.582 295 Y N -4.699 115.601 120.300 -0.000 0.000 2.557 295 Y HA 0.456 nan 4.550 nan 0.000 0.247 295 Y C 0.292 176.190 175.900 -0.004 0.000 1.164 295 Y CA -1.841 56.261 58.100 0.003 0.000 1.218 295 Y CB 0.776 39.241 38.460 0.009 0.000 1.210 295 Y HN -0.460 7.320 8.280 -0.833 0.000 0.529 296 S N 1.093 116.631 115.700 -0.270 0.000 1.991 296 S HA -0.485 nan 4.470 nan 0.000 0.246 296 S C -1.224 173.284 174.600 -0.154 0.000 0.933 296 S CA 1.844 59.932 58.200 -0.187 0.000 1.899 296 S CB -0.709 62.437 63.200 -0.090 0.000 1.228 296 S HN 0.124 8.184 8.310 -0.417 0.000 0.496 297 N N 0.764 119.503 118.700 0.065 0.000 2.591 297 N HA 0.341 nan 4.740 nan 0.000 0.263 297 N C -3.254 172.459 175.510 0.339 0.000 1.308 297 N CA -1.512 51.624 53.050 0.144 0.000 0.837 297 N CB 2.171 40.706 38.487 0.080 0.000 1.548 297 N HN -0.427 8.019 8.380 0.192 0.048 0.493 298 P HA 0.379 nan 4.420 nan 0.000 0.279 298 P C -2.405 174.901 177.300 0.011 0.000 1.252 298 P CA -2.009 61.158 63.100 0.112 0.000 0.811 298 P CB -0.604 31.120 31.700 0.040 0.000 1.035 299 P HA 0.061 nan 4.420 nan 0.000 0.276 299 P C -0.210 177.036 177.300 -0.089 0.000 1.243 299 P CA -0.431 62.638 63.100 -0.052 0.000 0.768 299 P CB 0.694 32.355 31.700 -0.064 0.000 0.856 300 A N 4.375 127.162 122.820 -0.055 0.000 1.898 300 A HA -0.358 nan 4.320 nan 0.000 0.216 300 A C 1.306 178.828 177.584 -0.103 0.000 1.181 300 A CA 2.738 54.723 52.037 -0.086 0.000 0.620 300 A CB -0.410 18.565 19.000 -0.041 0.000 0.819 300 A HN 0.510 8.648 8.150 -0.020 0.000 0.442 301 H N 0.344 119.347 119.070 -0.111 0.000 2.261 301 H HA -0.430 nan 4.556 nan 0.000 0.290 301 H C 2.098 177.344 175.328 -0.137 0.000 1.081 301 H CA 3.704 59.690 56.048 -0.103 0.000 1.196 301 H CB -0.440 29.278 29.762 -0.073 0.000 1.350 301 H HN 0.091 8.419 8.280 0.080 0.000 0.498 302 G N -2.986 105.719 108.800 -0.159 0.000 2.442 302 G HA2 -0.387 nan 3.960 nan 0.000 0.219 302 G HA3 -0.387 nan 3.960 nan 0.000 0.219 302 G C 0.629 175.303 174.900 -0.377 0.000 1.141 302 G CA 1.936 46.889 45.100 -0.245 0.000 0.763 302 G HN 0.521 8.797 8.290 -0.022 0.000 0.554 303 A N 1.207 123.768 122.820 -0.431 0.000 1.968 303 A HA -0.088 nan 4.320 nan 0.000 0.217 303 A C 2.120 179.462 177.584 -0.404 0.000 1.169 303 A CA 2.563 54.229 52.037 -0.619 0.000 0.638 303 A CB -0.626 17.758 19.000 -1.027 0.000 0.812 303 A HN -0.417 7.499 8.150 -0.368 0.013 0.446 304 S N -1.089 114.418 115.700 -0.322 0.000 2.436 304 S HA -0.249 nan 4.470 nan 0.000 0.228 304 S C 2.057 176.509 174.600 -0.245 0.000 1.014 304 S CA 2.971 61.039 58.200 -0.220 0.000 0.950 304 S CB 0.146 63.252 63.200 -0.158 0.000 0.784 304 S HN -0.020 8.093 8.310 -0.328 0.000 0.504 305 V N 3.386 123.095 119.914 -0.342 0.000 2.261 305 V HA -0.372 nan 4.120 nan 0.000 0.246 305 V C 1.704 177.598 176.094 -0.334 0.000 1.047 305 V CA 4.737 66.849 62.300 -0.314 0.000 1.015 305 V CB -0.902 30.720 31.823 -0.336 0.000 0.642 305 V HN -0.251 7.599 8.190 -0.407 0.095 0.446 306 V N -1.255 118.360 119.914 -0.499 0.000 2.343 306 V HA -0.441 nan 4.120 nan 0.000 0.247 306 V C 1.699 177.517 176.094 -0.461 0.000 1.051 306 V CA 4.469 66.304 62.300 -0.775 0.000 1.036 306 V CB -1.259 29.859 31.823 -1.175 0.000 0.654 306 V HN -0.146 7.747 8.190 -0.494 0.000 0.451 307 A N -1.699 120.971 122.820 -0.250 0.000 1.902 307 A HA -0.335 nan 4.320 nan 0.000 0.217 307 A C 2.010 179.496 177.584 -0.164 0.000 1.181 307 A CA 3.685 55.632 52.037 -0.151 0.000 0.623 307 A CB -0.802 18.171 19.000 -0.045 0.000 0.818 307 A HN 0.164 8.074 8.150 -0.222 0.107 0.443 308 T N 2.172 116.621 114.554 -0.176 0.000 2.708 308 T HA -0.360 nan 4.350 nan 0.000 0.266 308 T C 2.124 176.707 174.700 -0.195 0.000 1.037 308 T CA 5.027 67.009 62.100 -0.198 0.000 1.146 308 T CB -0.464 68.281 68.868 -0.205 0.000 0.865 308 T HN -0.210 7.920 8.240 -0.184 0.000 0.435 309 I N 0.645 121.113 120.570 -0.171 0.000 2.252 309 I HA -0.412 nan 4.170 nan 0.000 0.245 309 I C 2.001 178.060 176.117 -0.097 0.000 1.102 309 I CA 3.947 65.180 61.300 -0.112 0.000 1.385 309 I CB -0.118 37.845 38.000 -0.062 0.000 1.064 309 I HN -0.147 7.947 8.210 -0.193 0.000 0.414 310 L N -1.394 119.741 121.223 -0.147 0.000 2.201 310 L HA -0.223 nan 4.340 nan 0.000 0.212 310 L C 1.909 178.733 176.870 -0.078 0.000 1.105 310 L CA 2.162 56.934 54.840 -0.113 0.000 0.775 310 L CB -0.663 41.284 42.059 -0.186 0.000 0.913 310 L HN -0.184 7.924 8.230 -0.203 0.000 0.440 311 S N -2.063 113.578 115.700 -0.099 0.000 2.496 311 S HA -0.132 nan 4.470 nan 0.000 0.224 311 S C -0.186 174.367 174.600 -0.077 0.000 0.996 311 S CA 1.804 59.955 58.200 -0.082 0.000 0.927 311 S CB 0.338 63.484 63.200 -0.088 0.000 0.774 311 S HN -0.266 7.942 8.310 -0.126 0.027 0.524 312 N N 1.032 119.676 118.700 -0.092 0.000 2.425 312 N HA 0.067 nan 4.740 nan 0.000 0.268 312 N C -0.178 175.304 175.510 -0.047 0.000 0.991 312 N CA -0.620 52.376 53.050 -0.089 0.000 0.931 312 N CB 1.407 39.806 38.487 -0.147 0.000 1.130 312 N HN -0.834 7.448 8.380 -0.102 0.037 0.493 313 D N 7.552 127.931 120.400 -0.034 0.000 2.123 313 D HA -0.292 nan 4.640 nan 0.000 0.196 313 D C 1.529 177.822 176.300 -0.012 0.000 0.992 313 D CA 3.818 57.808 54.000 -0.016 0.000 0.833 313 D CB -0.198 40.592 40.800 -0.017 0.000 0.954 313 D HN 0.642 8.988 8.370 -0.039 0.000 0.455 314 A N -0.569 122.239 122.820 -0.020 0.000 1.872 314 A HA -0.148 nan 4.320 nan 0.000 0.214 314 A C 1.953 179.533 177.584 -0.007 0.000 1.187 314 A CA 2.808 54.836 52.037 -0.016 0.000 0.614 314 A CB -0.596 18.392 19.000 -0.019 0.000 0.826 314 A HN -0.053 8.079 8.150 -0.030 0.000 0.442 315 L N -1.576 119.638 121.223 -0.016 0.000 2.083 315 L HA -0.249 nan 4.340 nan 0.000 0.209 315 L C 1.836 178.741 176.870 0.058 0.000 1.083 315 L CA 2.118 56.958 54.840 -0.001 0.000 0.752 315 L CB -0.503 41.526 42.059 -0.050 0.000 0.899 315 L HN -0.409 7.799 8.230 -0.036 0.000 0.433 316 R N -0.837 119.702 120.500 0.066 0.000 2.090 316 R HA -0.344 nan 4.340 nan 0.000 0.228 316 R C 1.831 178.210 176.300 0.133 0.000 1.110 316 R CA 3.411 59.612 56.100 0.169 0.000 0.973 316 R CB -0.150 30.229 30.300 0.132 0.000 0.869 316 R HN 0.208 8.476 8.270 0.025 0.017 0.440 317 A N -0.252 122.591 122.820 0.038 0.000 1.908 317 A HA -0.252 nan 4.320 nan 0.000 0.218 317 A C 2.432 179.989 177.584 -0.045 0.000 1.181 317 A CA 2.983 55.008 52.037 -0.020 0.000 0.627 317 A CB -0.871 18.114 19.000 -0.024 0.000 0.818 317 A HN -0.426 7.742 8.150 0.029 0.000 0.445 318 I N -2.779 117.786 120.570 -0.008 0.000 2.179 318 I HA -0.477 nan 4.170 nan 0.000 0.242 318 I C 1.131 177.229 176.117 -0.032 0.000 1.088 318 I CA 3.675 64.964 61.300 -0.019 0.000 1.357 318 I CB -0.132 37.872 38.000 0.007 0.000 1.051 318 I HN -0.533 7.685 8.210 0.013 0.000 0.409 319 W N 0.250 121.455 121.300 -0.158 0.000 2.355 319 W HA -0.456 nan 4.660 nan 0.000 0.309 319 W C 1.429 177.778 176.519 -0.283 0.000 1.206 319 W CA 3.938 61.134 57.345 -0.248 0.000 1.284 319 W CB -0.125 29.141 29.460 -0.323 0.000 1.145 319 W HN -0.399 7.884 8.180 0.173 0.000 0.502 320 E N -2.776 117.004 120.200 -0.700 0.000 2.160 320 E HA -0.531 nan 4.350 nan 0.000 0.195 320 E C 2.608 178.836 176.600 -0.619 0.000 0.991 320 E CA 3.346 59.192 56.400 -0.923 0.000 0.810 320 E CB -0.665 28.712 29.700 -0.539 0.000 0.742 320 E HN -0.056 8.151 8.360 -0.255 0.000 0.466 321 Q N -0.553 119.011 119.800 -0.393 0.000 2.137 321 Q HA -0.180 nan 4.340 nan 0.000 0.198 321 Q C 2.155 177.976 176.000 -0.298 0.000 0.960 321 Q CA 2.482 58.115 55.803 -0.284 0.000 0.847 321 Q CB -0.625 28.007 28.738 -0.176 0.000 0.915 321 Q HN -0.562 7.401 8.270 -0.318 0.116 0.448 322 E N 0.583 120.596 120.200 -0.313 0.000 2.106 322 E HA -0.341 nan 4.350 nan 0.000 0.192 322 E C 2.613 178.974 176.600 -0.399 0.000 0.984 322 E CA 2.910 59.147 56.400 -0.271 0.000 0.806 322 E CB -0.114 29.481 29.700 -0.175 0.000 0.750 322 E HN -0.396 7.688 8.360 -0.313 0.088 0.458 323 L N -0.966 119.889 121.223 -0.614 0.000 2.109 323 L HA -0.187 nan 4.340 nan 0.000 0.207 323 L C 1.463 177.983 176.870 -0.584 0.000 1.086 323 L CA 3.357 57.767 54.840 -0.716 0.000 0.760 323 L CB -0.226 41.228 42.059 -1.008 0.000 0.910 323 L HN 0.305 7.991 8.230 -0.744 0.097 0.437 324 T N 2.547 116.817 114.554 -0.474 0.000 2.867 324 T HA -0.312 nan 4.350 nan 0.000 0.268 324 T C 1.953 176.502 174.700 -0.252 0.000 1.057 324 T CA 5.376 67.275 62.100 -0.335 0.000 1.136 324 T CB -0.875 67.831 68.868 -0.271 0.000 0.874 324 T HN -0.173 7.573 8.240 -0.501 0.193 0.466 325 D N 2.117 122.374 120.400 -0.238 0.000 2.117 325 D HA -0.110 nan 4.640 nan 0.000 0.198 325 D C 2.015 178.228 176.300 -0.145 0.000 0.982 325 D CA 3.301 57.212 54.000 -0.148 0.000 0.828 325 D CB -0.593 40.144 40.800 -0.106 0.000 0.967 325 D HN 0.022 8.117 8.370 -0.276 0.110 0.464 326 M N -0.321 119.092 119.600 -0.312 0.000 2.065 326 M HA -0.451 nan 4.480 nan 0.000 0.259 326 M C 1.998 178.217 176.300 -0.136 0.000 1.069 326 M CA 4.217 59.245 55.300 -0.453 0.000 1.110 326 M CB -0.140 31.980 32.600 -0.800 0.000 1.328 326 M HN -0.353 7.708 8.290 -0.381 0.000 0.405 327 R N -1.037 119.327 120.500 -0.226 0.000 2.080 327 R HA -0.455 nan 4.340 nan 0.000 0.236 327 R C 2.187 178.484 176.300 -0.004 0.000 1.137 327 R CA 3.827 59.876 56.100 -0.085 0.000 0.943 327 R CB -0.216 29.968 30.300 -0.193 0.000 0.846 327 R HN -0.178 7.858 8.270 -0.389 0.000 0.431 328 Q N -2.354 117.420 119.800 -0.042 0.000 2.170 328 Q HA -0.346 nan 4.340 nan 0.000 0.203 328 Q C 2.621 178.642 176.000 0.036 0.000 0.976 328 Q CA 2.975 58.773 55.803 -0.008 0.000 0.858 328 Q CB -0.222 28.497 28.738 -0.031 0.000 0.907 328 Q HN -0.259 7.953 8.270 -0.097 0.000 0.433 329 R N 0.244 120.787 120.500 0.071 0.000 2.092 329 R HA -0.259 nan 4.340 nan 0.000 0.231 329 R C 2.481 178.852 176.300 0.118 0.000 1.119 329 R CA 3.228 59.395 56.100 0.112 0.000 0.970 329 R CB -0.158 30.259 30.300 0.196 0.000 0.864 329 R HN -0.242 8.048 8.270 0.058 0.015 0.440 330 I N -0.268 120.396 120.570 0.158 0.000 2.226 330 I HA -0.558 nan 4.170 nan 0.000 0.245 330 I C 1.843 178.005 176.117 0.075 0.000 1.100 330 I CA 3.817 65.192 61.300 0.124 0.000 1.374 330 I CB -0.298 37.795 38.000 0.155 0.000 1.057 330 I HN -0.338 7.981 8.210 0.183 0.000 0.413 331 Q N -1.478 118.365 119.800 0.072 0.000 2.124 331 Q HA -0.393 nan 4.340 nan 0.000 0.202 331 Q C 2.819 178.849 176.000 0.050 0.000 0.977 331 Q CA 3.446 59.283 55.803 0.057 0.000 0.850 331 Q CB -0.463 28.303 28.738 0.046 0.000 0.901 331 Q HN -0.313 8.003 8.270 0.077 0.000 0.429 332 R N -0.745 119.782 120.500 0.046 0.000 2.092 332 R HA -0.238 nan 4.340 nan 0.000 0.231 332 R C 2.685 179.010 176.300 0.041 0.000 1.119 332 R CA 3.211 59.334 56.100 0.038 0.000 0.970 332 R CB -0.070 30.250 30.300 0.034 0.000 0.864 332 R HN -0.423 7.772 8.270 0.049 0.105 0.440 333 M N -1.420 118.204 119.600 0.040 0.000 2.254 333 M HA -0.214 nan 4.480 nan 0.000 0.265 333 M C 2.466 178.801 176.300 0.059 0.000 1.066 333 M CA 1.776 57.093 55.300 0.029 0.000 1.123 333 M CB -1.103 31.493 32.600 -0.007 0.000 1.388 333 M HN -0.353 7.865 8.290 0.044 0.098 0.425 334 R N -0.459 120.081 120.500 0.066 0.000 2.080 334 R HA -0.406 nan 4.340 nan 0.000 0.236 334 R C 2.030 178.407 176.300 0.129 0.000 1.137 334 R CA 4.016 60.184 56.100 0.112 0.000 0.943 334 R CB -0.487 29.868 30.300 0.092 0.000 0.846 334 R HN -0.029 8.273 8.270 0.055 0.000 0.431 335 Q N -0.839 119.009 119.800 0.079 0.000 2.061 335 Q HA -0.307 nan 4.340 nan 0.000 0.204 335 Q C 2.682 178.713 176.000 0.052 0.000 0.984 335 Q CA 3.293 59.128 55.803 0.054 0.000 0.846 335 Q CB -0.262 28.500 28.738 0.039 0.000 0.902 335 Q HN -0.718 7.592 8.270 0.068 0.000 0.421 336 L N -0.731 120.530 121.223 0.065 0.000 2.042 336 L HA -0.315 nan 4.340 nan 0.000 0.210 336 L C 1.739 178.665 176.870 0.094 0.000 1.076 336 L CA 2.557 57.433 54.840 0.061 0.000 0.749 336 L CB -1.081 41.012 42.059 0.056 0.000 0.893 336 L HN -0.418 7.851 8.230 0.064 0.000 0.432 337 F N 0.255 120.169 119.950 -0.061 0.000 2.075 337 F HA -0.376 nan 4.527 nan 0.000 0.297 337 F C 1.756 177.479 175.800 -0.129 0.000 1.113 337 F CA 3.869 61.809 58.000 -0.100 0.000 1.218 337 F CB -0.279 38.660 39.000 -0.100 0.000 0.984 337 F HN -0.256 8.081 8.300 0.224 0.097 0.472 338 V N -3.740 116.090 119.914 -0.139 0.000 2.515 338 V HA -0.487 nan 4.120 nan 0.000 0.250 338 V C 1.581 177.576 176.094 -0.166 0.000 1.058 338 V CA 3.629 65.779 62.300 -0.249 0.000 1.064 338 V CB -1.229 30.519 31.823 -0.125 0.000 0.675 338 V HN -0.019 8.195 8.190 0.039 0.000 0.461 339 N N 0.434 119.083 118.700 -0.085 0.000 2.106 339 N HA -0.266 nan 4.740 nan 0.000 0.188 339 N C 2.102 177.568 175.510 -0.073 0.000 1.029 339 N CA 3.415 56.431 53.050 -0.057 0.000 0.848 339 N CB 0.256 38.730 38.487 -0.022 0.000 1.007 339 N HN -0.073 8.278 8.380 -0.049 0.000 0.423 340 T N 3.696 118.204 114.554 -0.075 0.000 2.867 340 T HA -0.231 nan 4.350 nan 0.000 0.268 340 T C 1.972 176.592 174.700 -0.134 0.000 1.057 340 T CA 4.434 66.491 62.100 -0.073 0.000 1.136 340 T CB -0.603 68.247 68.868 -0.031 0.000 0.874 340 T HN 0.052 8.257 8.240 -0.058 0.000 0.466 341 L N 0.857 121.928 121.223 -0.253 0.000 2.046 341 L HA -0.467 nan 4.340 nan 0.000 0.208 341 L C 1.525 178.296 176.870 -0.165 0.000 1.077 341 L CA 3.587 58.229 54.840 -0.331 0.000 0.747 341 L CB -0.468 41.194 42.059 -0.661 0.000 0.896 341 L HN 0.054 8.004 8.230 -0.291 0.105 0.432 342 Q N -1.102 118.629 119.800 -0.115 0.000 2.050 342 Q HA -0.375 nan 4.340 nan 0.000 0.202 342 Q C 3.269 179.244 176.000 -0.041 0.000 0.980 342 Q CA 3.488 59.260 55.803 -0.051 0.000 0.840 342 Q CB -0.200 28.516 28.738 -0.037 0.000 0.898 342 Q HN -0.438 7.673 8.270 -0.140 0.076 0.424 343 E N -0.032 120.140 120.200 -0.046 0.000 2.204 343 E HA -0.234 nan 4.350 nan 0.000 0.194 343 E C 1.582 178.164 176.600 -0.031 0.000 0.989 343 E CA 2.357 58.739 56.400 -0.031 0.000 0.824 343 E CB -0.190 29.495 29.700 -0.026 0.000 0.756 343 E HN -0.295 7.961 8.360 -0.058 0.069 0.477 344 K N -3.486 116.886 120.400 -0.048 0.000 2.458 344 K HA 0.065 nan 4.320 nan 0.000 0.194 344 K C 0.514 177.092 176.600 -0.036 0.000 1.024 344 K CA -1.703 54.557 56.287 -0.045 0.000 1.108 344 K CB -0.122 32.338 32.500 -0.066 0.000 0.846 344 K HN -0.346 7.733 8.250 -0.067 0.130 0.518 345 G N -2.417 106.367 108.800 -0.027 0.000 2.141 345 G HA2 -0.306 nan 3.960 nan 0.000 0.242 345 G HA3 -0.306 nan 3.960 nan 0.000 0.242 345 G C -0.374 174.527 174.900 0.001 0.000 0.982 345 G CA 0.146 45.240 45.100 -0.010 0.000 0.662 345 G HN -0.606 7.497 8.290 -0.029 0.169 0.527 346 A N 1.237 124.053 122.820 -0.007 0.000 2.444 346 A HA 0.014 nan 4.320 nan 0.000 0.287 346 A C -0.605 177.032 177.584 0.088 0.000 1.195 346 A CA -0.217 51.851 52.037 0.051 0.000 0.858 346 A CB -0.265 18.740 19.000 0.009 0.000 1.117 346 A HN -0.272 7.855 8.150 -0.039 0.000 0.521 347 N N 2.598 121.345 118.700 0.078 0.000 2.434 347 N HA -0.169 nan 4.740 nan 0.000 0.196 347 N C -0.263 175.277 175.510 0.049 0.000 1.183 347 N CA 0.446 53.528 53.050 0.053 0.000 0.849 347 N CB -0.056 38.452 38.487 0.034 0.000 0.992 347 N HN -0.025 8.400 8.380 0.074 0.000 0.460 348 R N 0.257 120.804 120.500 0.078 0.000 2.604 348 R HA 0.088 nan 4.340 nan 0.000 0.287 348 R C -1.247 175.035 176.300 -0.030 0.000 0.970 348 R CA -0.682 55.397 56.100 -0.035 0.000 0.946 348 R CB 1.830 32.024 30.300 -0.176 0.000 1.127 348 R HN -0.605 7.666 8.270 0.168 0.099 0.473 349 D N 2.722 123.076 120.400 -0.076 0.000 2.352 349 D HA -0.023 nan 4.640 nan 0.000 0.245 349 D C -0.104 176.128 176.300 -0.115 0.000 1.224 349 D CA -0.026 53.960 54.000 -0.023 0.000 0.879 349 D CB -0.010 40.803 40.800 0.022 0.000 1.057 349 D HN 0.309 8.636 8.370 -0.072 0.000 0.491 350 F N 5.223 125.057 119.950 -0.194 0.000 2.645 350 F HA 0.101 nan 4.527 nan 0.000 0.300 350 F C 0.456 175.825 175.800 -0.717 0.000 1.115 350 F CA -0.057 57.596 58.000 -0.580 0.000 1.355 350 F CB 0.266 38.942 39.000 -0.540 0.000 1.026 350 F HN -0.093 8.294 8.300 0.145 0.000 0.536 351 S N 1.619 117.196 115.700 -0.205 0.000 2.474 351 S HA -0.251 nan 4.470 nan 0.000 0.235 351 S C 1.694 176.244 174.600 -0.082 0.000 0.997 351 S CA 2.490 60.622 58.200 -0.113 0.000 0.949 351 S CB -0.636 62.561 63.200 -0.004 0.000 0.766 351 S HN 0.131 8.306 8.310 -0.082 0.086 0.517 352 F N -0.429 119.523 119.950 0.003 0.000 2.269 352 F HA -0.182 nan 4.527 nan 0.000 0.301 352 F C 1.015 176.876 175.800 0.102 0.000 1.082 352 F CA 1.333 59.350 58.000 0.028 0.000 1.360 352 F CB -0.984 37.964 39.000 -0.086 0.000 1.041 352 F HN -0.382 7.738 8.300 -0.223 0.046 0.512 353 I N 0.751 121.112 120.570 -0.348 0.000 2.335 353 I HA -0.514 nan 4.170 nan 0.000 0.251 353 I C 1.538 177.697 176.117 0.070 0.000 1.129 353 I CA 3.685 64.944 61.300 -0.068 0.000 1.402 353 I CB -0.298 37.635 38.000 -0.111 0.000 1.069 353 I HN -0.275 7.243 8.210 -0.925 0.137 0.424 354 I N -1.593 119.001 120.570 0.040 0.000 2.567 354 I HA -0.343 nan 4.170 nan 0.000 0.257 354 I C 1.134 177.314 176.117 0.105 0.000 1.184 354 I CA 2.221 63.563 61.300 0.070 0.000 1.451 354 I CB -1.080 36.949 38.000 0.048 0.000 1.089 354 I HN -0.519 7.542 8.210 -0.019 0.137 0.441 355 K N -2.913 117.572 120.400 0.140 0.000 2.426 355 K HA -0.018 nan 4.320 nan 0.000 0.193 355 K C -0.372 176.342 176.600 0.191 0.000 1.028 355 K CA 0.016 56.401 56.287 0.163 0.000 1.047 355 K CB 0.259 32.868 32.500 0.181 0.000 0.821 355 K HN -0.480 7.684 8.250 0.148 0.175 0.513 356 Q N -1.774 118.149 119.800 0.205 0.000 2.260 356 Q HA 0.004 nan 4.340 nan 0.000 0.242 356 Q C -0.784 175.324 176.000 0.180 0.000 0.932 356 Q CA -0.325 55.609 55.803 0.218 0.000 0.891 356 Q CB 1.422 30.312 28.738 0.254 0.000 1.222 356 Q HN -0.740 7.596 8.270 0.195 0.051 0.453 357 N N 0.381 119.195 118.700 0.190 0.000 2.384 357 N HA 0.360 nan 4.740 nan 0.000 0.301 357 N C -0.855 174.710 175.510 0.090 0.000 1.133 357 N CA -0.345 52.806 53.050 0.168 0.000 0.853 357 N CB 2.302 40.938 38.487 0.249 0.000 1.241 357 N HN -0.006 8.387 8.380 0.217 0.118 0.502 358 G N 1.108 109.927 108.800 0.032 0.000 2.587 358 G HA2 -0.281 nan 3.960 nan 0.000 0.212 358 G HA3 -0.281 nan 3.960 nan 0.000 0.212 358 G C 0.251 174.986 174.900 -0.276 0.000 1.327 358 G CA -0.280 44.702 45.100 -0.197 0.000 0.898 358 G HN -0.066 8.280 8.290 0.094 0.000 0.551 359 M N 1.754 120.960 119.600 -0.656 0.000 2.506 359 M HA 0.039 nan 4.480 nan 0.000 0.260 359 M C -0.931 175.036 176.300 -0.555 0.000 1.104 359 M CA 1.941 56.846 55.300 -0.659 0.000 1.112 359 M CB 0.654 32.639 32.600 -1.024 0.000 1.401 359 M HN 0.187 7.856 8.290 -1.035 0.000 0.473 360 F N -3.850 116.037 119.950 -0.104 0.000 2.458 360 F HA 0.444 nan 4.527 nan 0.000 0.336 360 F C -1.173 174.672 175.800 0.074 0.000 1.114 360 F CA -2.399 55.594 58.000 -0.011 0.000 0.987 360 F CB 1.015 40.017 39.000 0.003 0.000 1.130 360 F HN -0.813 7.218 8.300 -0.373 0.045 0.458 361 S N 2.168 118.070 115.700 0.338 0.000 2.429 361 S HA 0.225 nan 4.470 nan 0.000 0.302 361 S C -1.151 173.713 174.600 0.439 0.000 1.115 361 S CA -2.032 56.368 58.200 0.334 0.000 1.095 361 S CB 1.203 64.548 63.200 0.242 0.000 0.987 361 S HN 0.264 8.768 8.310 0.324 0.000 0.474 362 F N 9.552 129.657 119.950 0.260 0.000 2.423 362 F HA 0.169 nan 4.527 nan 0.000 0.356 362 F C -0.774 175.257 175.800 0.384 0.000 1.170 362 F CA -2.914 55.212 58.000 0.210 0.000 1.163 362 F CB -0.169 38.864 39.000 0.056 0.000 1.318 362 F HN 0.008 8.906 8.300 0.566 -0.259 0.569 363 S N 6.349 122.241 115.700 0.319 0.000 2.419 363 S HA -0.162 nan 4.470 nan 0.000 0.233 363 S C 0.714 175.559 174.600 0.409 0.000 1.016 363 S CA 1.775 60.235 58.200 0.433 0.000 0.974 363 S CB 0.614 64.022 63.200 0.346 0.000 0.786 363 S HN 0.096 8.540 8.310 0.223 0.000 0.492 364 G N 0.327 109.190 108.800 0.105 0.000 2.149 364 G HA2 -0.251 nan 3.960 nan 0.000 0.235 364 G HA3 -0.251 nan 3.960 nan 0.000 0.235 364 G C -0.930 174.013 174.900 0.072 0.000 1.018 364 G CA -0.028 45.117 45.100 0.075 0.000 0.728 364 G HN 0.046 8.221 8.290 -0.143 0.029 0.508 365 L N -0.611 120.640 121.223 0.048 0.000 2.350 365 L HA 0.342 nan 4.340 nan 0.000 0.275 365 L C 0.913 177.782 176.870 -0.001 0.000 1.099 365 L CA -0.747 54.128 54.840 0.059 0.000 0.808 365 L CB 0.858 42.962 42.059 0.075 0.000 1.149 365 L HN -0.686 7.522 8.230 0.004 0.024 0.442 366 T N 1.343 115.905 114.554 0.014 0.000 2.828 366 T HA 0.266 nan 4.350 nan 0.000 0.290 366 T C 0.599 175.297 174.700 -0.003 0.000 1.019 366 T CA -0.766 61.335 62.100 0.001 0.000 1.031 366 T CB 1.018 69.892 68.868 0.011 0.000 1.001 366 T HN 0.197 8.773 8.240 0.033 -0.317 0.531 367 K N 0.200 120.597 120.400 -0.006 0.000 2.211 367 K HA -0.326 nan 4.320 nan 0.000 0.204 367 K C 1.997 178.597 176.600 0.001 0.000 1.047 367 K CA 3.190 59.474 56.287 -0.005 0.000 0.935 367 K CB -0.221 32.276 32.500 -0.004 0.000 0.728 367 K HN 0.468 8.715 8.250 -0.005 0.000 0.452 368 E N -1.260 118.944 120.200 0.007 0.000 2.158 368 E HA -0.173 nan 4.350 nan 0.000 0.191 368 E C 2.523 179.136 176.600 0.023 0.000 0.982 368 E CA 3.118 59.526 56.400 0.013 0.000 0.823 368 E CB -0.855 28.855 29.700 0.016 0.000 0.766 368 E HN 0.307 8.643 8.360 0.008 0.029 0.468 369 Q N 0.509 120.325 119.800 0.025 0.000 2.083 369 Q HA -0.244 nan 4.340 nan 0.000 0.198 369 Q C 2.423 178.440 176.000 0.029 0.000 0.969 369 Q CA 3.406 59.231 55.803 0.036 0.000 0.838 369 Q CB 0.207 28.969 28.738 0.041 0.000 0.900 369 Q HN -0.493 7.690 8.270 0.021 0.099 0.436 370 V N 1.429 121.352 119.914 0.014 0.000 2.343 370 V HA -0.356 nan 4.120 nan 0.000 0.247 370 V C 2.099 178.183 176.094 -0.017 0.000 1.051 370 V CA 4.668 66.967 62.300 -0.001 0.000 1.036 370 V CB -1.074 30.745 31.823 -0.008 0.000 0.654 370 V HN 0.083 8.280 8.190 0.011 0.000 0.451 371 L N -1.443 119.774 121.223 -0.010 0.000 2.046 371 L HA -0.316 nan 4.340 nan 0.000 0.208 371 L C 2.201 179.070 176.870 -0.002 0.000 1.077 371 L CA 3.260 58.088 54.840 -0.019 0.000 0.747 371 L CB -1.457 40.598 42.059 -0.007 0.000 0.896 371 L HN -0.249 7.901 8.230 -0.001 0.079 0.432 372 R N -0.892 119.632 120.500 0.039 0.000 2.075 372 R HA -0.284 nan 4.340 nan 0.000 0.232 372 R C 2.717 179.129 176.300 0.186 0.000 1.126 372 R CA 3.297 59.454 56.100 0.096 0.000 0.963 372 R CB -0.169 30.208 30.300 0.129 0.000 0.858 372 R HN -0.349 7.838 8.270 0.037 0.105 0.435 373 L N -1.345 119.967 121.223 0.148 0.000 2.042 373 L HA -0.375 nan 4.340 nan 0.000 0.210 373 L C 2.251 179.202 176.870 0.137 0.000 1.076 373 L CA 3.430 58.379 54.840 0.182 0.000 0.749 373 L CB -0.383 41.698 42.059 0.037 0.000 0.893 373 L HN 0.312 8.591 8.230 0.081 0.000 0.432 374 R N -1.800 118.665 120.500 -0.058 0.000 2.127 374 R HA -0.204 nan 4.340 nan 0.000 0.217 374 R C 2.462 178.669 176.300 -0.155 0.000 1.074 374 R CA 2.909 58.837 56.100 -0.288 0.000 0.991 374 R CB -0.469 29.435 30.300 -0.661 0.000 0.895 374 R HN -0.596 7.634 8.270 -0.066 0.000 0.450 375 E N -0.649 119.508 120.200 -0.073 0.000 2.158 375 E HA -0.148 nan 4.350 nan 0.000 0.191 375 E C 1.347 177.912 176.600 -0.057 0.000 0.982 375 E CA 2.609 58.980 56.400 -0.048 0.000 0.823 375 E CB 0.364 30.043 29.700 -0.036 0.000 0.766 375 E HN -0.359 7.971 8.360 -0.051 0.000 0.468 376 E N -2.929 117.231 120.200 -0.066 0.000 2.340 376 E HA -0.025 nan 4.350 nan 0.000 0.198 376 E C 0.947 177.255 176.600 -0.487 0.000 0.961 376 E CA 1.001 57.217 56.400 -0.307 0.000 0.905 376 E CB 1.008 30.442 29.700 -0.444 0.000 0.884 376 E HN -0.002 8.277 8.360 0.034 0.102 0.491 377 F N -3.277 116.676 119.950 0.005 0.000 2.746 377 F HA 0.152 nan 4.527 nan 0.000 0.320 377 F C 0.016 175.855 175.800 0.065 0.000 1.097 377 F CA -0.706 57.311 58.000 0.029 0.000 1.195 377 F CB 2.000 41.017 39.000 0.028 0.000 1.056 377 F HN -0.725 7.606 8.300 0.208 0.093 0.562 378 G N -0.365 108.562 108.800 0.211 0.000 2.187 378 G HA2 -0.406 nan 3.960 nan 0.000 0.261 378 G HA3 -0.406 nan 3.960 nan 0.000 0.261 378 G C -0.919 174.257 174.900 0.460 0.000 1.000 378 G CA 0.599 45.887 45.100 0.315 0.000 0.718 378 G HN -0.526 7.756 8.290 0.130 0.087 0.519 379 V N 1.073 121.159 119.914 0.286 0.000 2.432 379 V HA 0.206 nan 4.120 nan 0.000 0.275 379 V C -0.566 175.645 176.094 0.194 0.000 1.043 379 V CA -0.223 62.245 62.300 0.280 0.000 0.925 379 V CB -0.105 31.801 31.823 0.140 0.000 0.985 379 V HN -0.613 7.659 8.190 0.223 0.052 0.466 380 Y N 7.226 127.601 120.300 0.126 0.000 2.369 380 Y HA 0.206 nan 4.550 nan 0.000 0.337 380 Y C -1.840 174.072 175.900 0.020 0.000 0.961 380 Y CA -1.551 56.602 58.100 0.087 0.000 1.186 380 Y CB 1.160 39.685 38.460 0.109 0.000 1.139 380 Y HN 0.905 9.482 8.280 0.496 0.000 0.494 381 A N 2.250 125.122 122.820 0.085 0.000 2.430 381 A HA 0.685 nan 4.320 nan 0.000 0.300 381 A C -1.615 175.995 177.584 0.045 0.000 1.124 381 A CA -1.769 50.304 52.037 0.060 0.000 0.766 381 A CB 2.842 21.866 19.000 0.040 0.000 1.328 381 A HN -0.111 8.050 8.150 0.018 0.000 0.424 382 V N -0.214 119.721 119.914 0.035 0.000 2.715 382 V HA -0.001 nan 4.120 nan 0.000 0.299 382 V C 1.574 177.674 176.094 0.010 0.000 1.054 382 V CA 0.178 62.490 62.300 0.020 0.000 1.077 382 V CB 0.790 32.614 31.823 0.001 0.000 0.972 382 V HN 0.013 8.225 8.190 0.036 0.000 0.484 383 A N 5.437 128.259 122.820 0.004 0.000 2.084 383 A HA -0.245 nan 4.320 nan 0.000 0.221 383 A C 0.500 178.076 177.584 -0.013 0.000 1.161 383 A CA 3.138 55.172 52.037 -0.005 0.000 0.653 383 A CB -0.601 18.397 19.000 -0.004 0.000 0.802 383 A HN 0.390 8.544 8.150 0.006 0.000 0.457 384 S N -5.742 109.958 115.700 0.001 0.000 2.515 384 S HA -0.165 nan 4.470 nan 0.000 0.231 384 S C 0.975 175.465 174.600 -0.183 0.000 0.987 384 S CA 0.505 58.698 58.200 -0.012 0.000 0.936 384 S CB 0.112 63.401 63.200 0.149 0.000 0.766 384 S HN -0.537 7.738 8.310 0.017 0.045 0.528 385 G N 1.198 109.930 108.800 -0.114 0.000 2.176 385 G HA2 -0.396 nan 3.960 nan 0.000 0.232 385 G HA3 -0.396 nan 3.960 nan 0.000 0.232 385 G C -1.427 173.434 174.900 -0.066 0.000 0.986 385 G CA -0.291 44.721 45.100 -0.147 0.000 0.643 385 G HN 0.226 8.316 8.290 -0.043 0.175 0.522 386 R N 1.650 122.180 120.500 0.050 0.000 2.401 386 R HA 0.354 nan 4.340 nan 0.000 0.299 386 R C -1.427 174.943 176.300 0.116 0.000 1.064 386 R CA 0.700 56.913 56.100 0.189 0.000 1.000 386 R CB 0.749 31.116 30.300 0.112 0.000 0.973 386 R HN -0.842 7.394 8.270 0.044 0.060 0.438 387 V N 0.566 120.582 119.914 0.169 0.000 2.715 387 V HA 0.593 nan 4.120 nan 0.000 0.310 387 V C -1.856 174.360 176.094 0.202 0.000 1.054 387 V CA -3.652 58.715 62.300 0.111 0.000 0.928 387 V CB 2.533 34.356 31.823 0.000 0.000 1.007 387 V HN 0.773 9.104 8.190 0.235 0.000 0.437 388 N N 2.812 121.596 118.700 0.140 0.000 2.437 388 N HA 0.293 nan 4.740 nan 0.000 0.243 388 N C 1.513 176.978 175.510 -0.074 0.000 1.041 388 N CA -0.883 52.238 53.050 0.120 0.000 0.940 388 N CB 0.402 38.946 38.487 0.095 0.000 1.133 388 N HN -0.194 8.130 8.380 0.069 0.097 0.506 389 V N 6.235 126.084 119.914 -0.108 0.000 2.515 389 V HA -0.282 nan 4.120 nan 0.000 0.250 389 V C 1.084 177.098 176.094 -0.134 0.000 1.058 389 V CA 3.293 65.489 62.300 -0.173 0.000 1.064 389 V CB -0.715 31.035 31.823 -0.121 0.000 0.675 389 V HN 0.697 8.853 8.190 -0.057 0.000 0.461 390 A N -0.987 121.765 122.820 -0.115 0.000 2.172 390 A HA -0.113 nan 4.320 nan 0.000 0.216 390 A C 1.094 178.564 177.584 -0.190 0.000 1.154 390 A CA 2.540 54.519 52.037 -0.096 0.000 0.701 390 A CB -0.611 18.398 19.000 0.014 0.000 0.789 390 A HN -0.317 7.893 8.150 -0.142 -0.145 0.465 391 G N -4.891 103.814 108.800 -0.159 0.000 2.985 391 G HA2 -0.001 nan 3.960 nan 0.000 0.209 391 G HA3 -0.001 nan 3.960 nan 0.000 0.209 391 G C -0.320 174.491 174.900 -0.148 0.000 1.165 391 G CA -0.710 44.293 45.100 -0.162 0.000 0.776 391 G HN -0.684 7.341 8.290 -0.138 0.182 0.541 392 M N 1.371 120.880 119.600 -0.151 0.000 2.233 392 M HA 0.111 nan 4.480 nan 0.000 0.355 392 M C -1.070 175.172 176.300 -0.098 0.000 1.191 392 M CA 0.339 55.562 55.300 -0.129 0.000 1.101 392 M CB 1.727 34.225 32.600 -0.169 0.000 1.592 392 M HN -0.639 7.362 8.290 -0.158 0.194 0.461 393 T N -2.408 112.106 114.554 -0.066 0.000 2.901 393 T HA 0.499 nan 4.350 nan 0.000 0.293 393 T C -2.042 172.646 174.700 -0.020 0.000 1.084 393 T CA -3.065 59.008 62.100 -0.046 0.000 1.008 393 T CB 1.190 70.030 68.868 -0.046 0.000 1.170 393 T HN 0.088 8.294 8.240 -0.057 0.000 0.509 394 P HA -0.051 nan 4.420 nan 0.000 0.225 394 P C 0.102 177.406 177.300 0.006 0.000 1.148 394 P CA 1.967 65.069 63.100 0.003 0.000 0.779 394 P CB 0.147 31.850 31.700 0.005 0.000 0.780 395 D N -3.341 117.060 120.400 0.002 0.000 2.183 395 D HA -0.097 nan 4.640 nan 0.000 0.205 395 D C 0.704 177.012 176.300 0.012 0.000 0.962 395 D CA 2.389 56.393 54.000 0.007 0.000 0.849 395 D CB 0.092 40.895 40.800 0.005 0.000 0.978 395 D HN -0.088 8.224 8.370 -0.004 0.056 0.488 396 N N -2.716 115.989 118.700 0.008 0.000 2.280 396 N HA 0.063 nan 4.740 nan 0.000 0.192 396 N C 1.134 176.655 175.510 0.017 0.000 1.109 396 N CA 0.208 53.267 53.050 0.016 0.000 0.855 396 N CB 1.009 39.505 38.487 0.016 0.000 0.974 396 N HN -0.603 7.681 8.380 -0.002 0.094 0.482 397 M N 1.701 121.310 119.600 0.016 0.000 2.108 397 M HA -0.379 nan 4.480 nan 0.000 0.261 397 M C 0.786 177.109 176.300 0.038 0.000 1.066 397 M CA 3.394 58.714 55.300 0.034 0.000 1.107 397 M CB -0.296 32.327 32.600 0.040 0.000 1.356 397 M HN -0.183 8.068 8.290 0.011 0.046 0.406 398 A N -1.887 120.948 122.820 0.025 0.000 1.855 398 A HA -0.099 nan 4.320 nan 0.000 0.215 398 A C -1.184 176.409 177.584 0.016 0.000 1.191 398 A CA 4.594 56.641 52.037 0.017 0.000 0.613 398 A CB -2.615 16.394 19.000 0.014 0.000 0.829 398 A HN 0.553 8.716 8.150 0.022 0.000 0.442 399 P HA -0.136 nan 4.420 nan 0.000 0.220 399 P C 1.331 178.646 177.300 0.025 0.000 1.148 399 P CA 2.319 65.442 63.100 0.038 0.000 0.803 399 P CB -0.395 31.339 31.700 0.057 0.000 0.782 400 L N -0.700 120.538 121.223 0.026 0.000 2.044 400 L HA -0.172 nan 4.340 nan 0.000 0.205 400 L C 1.628 178.495 176.870 -0.005 0.000 1.075 400 L CA 3.264 58.116 54.840 0.019 0.000 0.747 400 L CB -0.618 41.460 42.059 0.031 0.000 0.903 400 L HN -0.491 7.732 8.230 0.032 0.025 0.435 401 C N -1.200 118.107 119.300 0.013 0.000 2.432 401 C HA -0.357 nan 4.460 nan 0.000 0.280 401 C C 2.215 177.145 174.990 -0.100 0.000 1.353 401 C CA 4.065 63.058 59.018 -0.041 0.000 1.766 401 C CB -2.256 25.454 27.740 -0.049 0.000 1.924 401 C HN -0.063 8.186 8.230 0.031 0.000 0.509 402 E N -0.271 119.882 120.200 -0.079 0.000 2.107 402 E HA -0.315 nan 4.350 nan 0.000 0.191 402 E C 2.067 178.538 176.600 -0.215 0.000 0.982 402 E CA 2.958 59.303 56.400 -0.091 0.000 0.809 402 E CB -0.309 29.376 29.700 -0.025 0.000 0.756 402 E HN -0.042 8.184 8.360 -0.045 0.107 0.459 403 A N -0.132 122.500 122.820 -0.313 0.000 1.898 403 A HA -0.209 nan 4.320 nan 0.000 0.216 403 A C 2.030 179.218 177.584 -0.661 0.000 1.181 403 A CA 2.880 54.434 52.037 -0.805 0.000 0.620 403 A CB -0.566 18.098 19.000 -0.560 0.000 0.819 403 A HN -0.552 7.400 8.150 -0.183 0.089 0.442 404 I N -2.680 117.698 120.570 -0.319 0.000 2.142 404 I HA -0.404 nan 4.170 nan 0.000 0.240 404 I C 1.142 177.157 176.117 -0.170 0.000 1.078 404 I CA 3.447 64.625 61.300 -0.204 0.000 1.343 404 I CB 0.225 38.144 38.000 -0.136 0.000 1.046 404 I HN -0.374 7.696 8.210 -0.234 0.000 0.405 408 V N -5.117 114.763 119.914 -0.058 0.000 3.578 408 V HA 0.308 nan 4.120 nan 0.000 0.290 408 V C -0.157 175.958 176.094 0.036 0.000 1.376 408 V CA -0.188 62.126 62.300 0.024 0.000 1.083 408 V CB 0.461 32.297 31.823 0.021 0.000 0.911 408 V HN -0.308 7.653 8.190 -0.129 0.152 0.433 409 L N 0.000 121.242 121.223 0.031 0.000 2.949 409 L HA 0.000 nan 4.340 nan 0.000 0.249 409 L CA 0.000 54.875 54.840 0.058 0.000 0.813 409 L CB 0.000 42.109 42.059 0.083 0.000 0.961 409 L HN 0.000 8.178 8.230 0.006 0.055 0.502