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 3cwl_1_A DATA FIRST_RESID 23 DATA SEQUENCE FNKITPNLAE FAFSLYRQLA HQSNSTNIFF SPVSIATAFA MLSLGTKADT DATA SEQUENCE HDEILEGLNF NLTEIPEAQI HEGFQELLRT LNQPDSQLQL TTGNGLFLSE DATA SEQUENCE GLKLVDKFLE DVKKLYHSEA FTVNFGDTEE AKKQINDYVE KGTQGKIVDL DATA SEQUENCE VKELDRDTVF ALVNYIFFKG KWERPFEVKD TEEEDFHVDQ VTTVKVPMMK DATA SEQUENCE RLGMFNIQHX KKLSSWVLLM KYLGNATAIF FLPDEGKLQH LENELTHDII DATA SEQUENCE TKFLENEDRR SASLHLPKLS ITGTYDLKSV LGQLGITKVF SNGADLSGVT DATA SEQUENCE EEAPLKLSKA VHKAVLTIDE KGTEAAGAMF LEAIPMSIPP EVKFNKPFVF DATA SEQUENCE LMIEQNTKSP LFMGKVVNPT QK 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 23 F HA 0.000 nan 4.527 nan 0.000 0.279 23 F C 0.000 175.806 175.800 0.010 0.000 0.967 23 F CA 0.000 58.021 58.000 0.034 0.000 1.383 23 F CB 0.000 39.050 39.000 0.083 0.000 1.145 24 N N 1.443 120.291 118.700 0.246 0.000 2.371 24 N HA 0.153 4.892 4.740 -0.000 0.000 0.243 24 N C 0.822 176.455 175.510 0.205 0.000 1.287 24 N CA -0.008 53.121 53.050 0.133 0.000 0.911 24 N CB 1.063 39.573 38.487 0.038 0.000 1.142 24 N HN 0.842 nan 8.380 nan 0.000 0.451 25 K N 1.078 121.540 120.400 0.103 0.000 2.217 25 K HA -0.046 4.273 4.320 -0.000 0.000 0.202 25 K C 1.453 178.097 176.600 0.074 0.000 1.051 25 K CA 1.056 57.408 56.287 0.109 0.000 0.952 25 K CB -0.303 32.235 32.500 0.063 0.000 0.736 25 K HN 0.771 nan 8.250 nan 0.000 0.453 26 I N -2.775 117.800 120.570 0.008 0.000 3.728 26 I HA 0.024 4.194 4.170 -0.000 0.000 0.307 26 I C 1.400 177.427 176.117 -0.150 0.000 1.276 26 I CA 0.231 61.522 61.300 -0.016 0.000 1.285 26 I CB 0.014 37.966 38.000 -0.080 0.000 1.038 26 I HN -0.178 nan 8.210 nan 0.000 0.445 27 T N 2.840 117.312 114.554 -0.137 0.000 2.699 27 T HA -0.075 4.274 4.350 -0.000 0.000 0.268 27 T C -0.407 174.003 174.700 -0.483 0.000 1.036 27 T CA 2.423 64.371 62.100 -0.253 0.000 1.147 27 T CB -1.086 67.701 68.868 -0.134 0.000 0.862 27 T HN 0.390 nan 8.240 nan 0.000 0.446 28 P HA -0.015 nan 4.420 nan 0.000 0.217 28 P C 0.913 177.980 177.300 -0.388 0.000 1.150 28 P CA 1.077 63.877 63.100 -0.499 0.000 0.832 28 P CB -0.187 31.357 31.700 -0.261 0.000 0.787 29 N N -0.564 117.918 118.700 -0.364 0.000 2.120 29 N HA -0.099 4.641 4.740 -0.000 0.000 0.188 29 N C 1.714 176.967 175.510 -0.429 0.000 1.024 29 N CA 0.862 53.615 53.050 -0.495 0.000 0.852 29 N CB -1.015 36.898 38.487 -0.957 0.000 1.003 29 N HN 0.075 nan 8.380 nan 0.000 0.424 30 L N 0.440 121.443 121.223 -0.368 0.000 2.012 30 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 30 L C 2.441 179.167 176.870 -0.241 0.000 1.073 30 L CA 1.273 55.987 54.840 -0.211 0.000 0.748 30 L CB -0.567 41.373 42.059 -0.198 0.000 0.891 30 L HN 0.266 nan 8.230 nan 0.000 0.431 31 A N -0.628 121.935 122.820 -0.430 0.000 1.902 31 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 31 A C 2.161 179.356 177.584 -0.648 0.000 1.181 31 A CA 1.473 53.140 52.037 -0.617 0.000 0.623 31 A CB -0.360 18.226 19.000 -0.690 0.000 0.818 31 A HN 0.330 nan 8.150 nan 0.000 0.443 32 E N -0.933 119.082 120.200 -0.309 0.000 2.153 32 E HA -0.141 4.209 4.350 -0.000 0.000 0.194 32 E C 1.662 178.224 176.600 -0.063 0.000 0.988 32 E CA 0.864 57.209 56.400 -0.092 0.000 0.811 32 E CB -0.498 29.172 29.700 -0.050 0.000 0.746 32 E HN 0.673 nan 8.360 nan 0.000 0.466 33 F N 1.583 121.390 119.950 -0.239 0.000 2.102 33 F HA -0.154 4.373 4.527 -0.000 0.000 0.298 33 F C 2.197 177.927 175.800 -0.116 0.000 1.105 33 F CA 1.449 59.345 58.000 -0.173 0.000 1.239 33 F CB -0.636 38.258 39.000 -0.177 0.000 0.991 33 F HN -0.006 nan 8.300 nan 0.000 0.474 34 A N 0.550 123.192 122.820 -0.297 0.000 1.884 34 A HA -0.250 4.069 4.320 -0.000 0.000 0.219 34 A C 2.141 179.665 177.584 -0.099 0.000 1.197 34 A CA 2.256 54.144 52.037 -0.248 0.000 0.637 34 A CB -1.616 17.147 19.000 -0.395 0.000 0.827 34 A HN 0.427 nan 8.150 nan 0.000 0.450 35 F N 0.680 120.597 119.950 -0.054 0.000 2.134 35 F HA -0.107 4.420 4.527 -0.000 0.000 0.299 35 F C 2.869 178.643 175.800 -0.043 0.000 1.097 35 F CA 1.127 59.109 58.000 -0.030 0.000 1.264 35 F CB -1.166 37.799 39.000 -0.060 0.000 1.001 35 F HN 0.146 nan 8.300 nan 0.000 0.479 36 S N 0.256 115.977 115.700 0.035 0.000 2.368 36 S HA -0.142 4.328 4.470 -0.000 0.000 0.225 36 S C 2.026 176.507 174.600 -0.197 0.000 1.030 36 S CA 1.057 59.217 58.200 -0.066 0.000 0.999 36 S CB -0.608 62.548 63.200 -0.074 0.000 0.844 36 S HN 0.242 nan 8.310 nan 0.000 0.459 37 L N 0.670 121.640 121.223 -0.420 0.000 2.072 37 L HA 0.062 4.402 4.340 -0.000 0.000 0.205 37 L C 1.935 178.497 176.870 -0.513 0.000 1.079 37 L CA 1.614 56.073 54.840 -0.635 0.000 0.752 37 L CB -1.181 40.195 42.059 -1.138 0.000 0.906 37 L HN 0.364 nan 8.230 nan 0.000 0.436 38 Y N 0.515 120.634 120.300 -0.302 0.000 2.097 38 Y HA -0.302 4.247 4.550 -0.000 0.000 0.282 38 Y C 2.784 178.657 175.900 -0.045 0.000 1.152 38 Y CA 2.144 60.231 58.100 -0.022 0.000 1.136 38 Y CB -0.161 38.449 38.460 0.249 0.000 0.975 38 Y HN 0.115 nan 8.280 nan 0.000 0.498 39 R N -0.253 120.334 120.500 0.145 0.000 2.091 39 R HA -0.249 4.091 4.340 -0.000 0.000 0.238 39 R C 2.356 178.612 176.300 -0.073 0.000 1.136 39 R CA 1.743 57.874 56.100 0.051 0.000 0.959 39 R CB -0.410 29.933 30.300 0.071 0.000 0.856 39 R HN 0.368 nan 8.270 nan 0.000 0.437 40 Q N 0.921 120.643 119.800 -0.130 0.000 2.030 40 Q HA -0.127 4.212 4.340 -0.000 0.000 0.204 40 Q C 1.898 177.821 176.000 -0.129 0.000 0.986 40 Q CA 1.723 57.447 55.803 -0.130 0.000 0.843 40 Q CB -0.315 28.311 28.738 -0.188 0.000 0.904 40 Q HN 0.355 nan 8.270 nan 0.000 0.420 41 L N -0.324 120.746 121.223 -0.254 0.000 2.083 41 L HA -0.153 4.186 4.340 -0.000 0.000 0.209 41 L C 2.345 179.093 176.870 -0.205 0.000 1.083 41 L CA 1.068 55.764 54.840 -0.240 0.000 0.752 41 L CB -0.720 41.125 42.059 -0.356 0.000 0.899 41 L HN 0.313 nan 8.230 nan 0.000 0.433 42 A N -1.423 121.217 122.820 -0.301 0.000 1.968 42 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 42 A C 2.245 179.799 177.584 -0.050 0.000 1.169 42 A CA 1.161 53.064 52.037 -0.222 0.000 0.638 42 A CB -0.758 18.072 19.000 -0.283 0.000 0.812 42 A HN 0.466 nan 8.150 nan 0.000 0.446 43 H N -0.559 118.444 119.070 -0.110 0.000 2.395 43 H HA -0.016 4.540 4.556 -0.000 0.000 0.299 43 H C 1.999 177.294 175.328 -0.055 0.000 1.070 43 H CA 1.584 57.593 56.048 -0.065 0.000 1.356 43 H CB 0.105 29.830 29.762 -0.061 0.000 1.401 43 H HN 0.607 nan 8.280 nan 0.000 0.524 44 Q N -0.010 119.769 119.800 -0.035 0.000 2.167 44 Q HA -0.039 4.301 4.340 -0.000 0.000 0.202 44 Q C 0.277 176.232 176.000 -0.074 0.000 0.970 44 Q CA 0.915 56.682 55.803 -0.060 0.000 0.855 44 Q CB 0.317 29.041 28.738 -0.023 0.000 0.911 44 Q HN 0.084 nan 8.270 nan 0.000 0.438 45 S N -1.406 114.257 115.700 -0.063 0.000 2.542 45 S HA 0.256 4.726 4.470 -0.000 0.000 0.276 45 S C -0.877 173.704 174.600 -0.031 0.000 1.148 45 S CA -0.849 57.325 58.200 -0.045 0.000 0.886 45 S CB 0.869 64.059 63.200 -0.017 0.000 1.109 45 S HN 0.123 nan 8.310 nan 0.000 0.458 46 N N 1.640 120.330 118.700 -0.017 0.000 2.254 46 N HA 0.168 4.907 4.740 -0.000 0.000 0.190 46 N C 0.641 176.172 175.510 0.035 0.000 1.107 46 N CA 0.120 53.176 53.050 0.011 0.000 0.869 46 N CB 0.819 39.314 38.487 0.014 0.000 0.983 46 N HN 0.399 nan 8.380 nan 0.000 0.487 47 S N 0.085 115.802 115.700 0.028 0.000 2.554 47 S HA 0.086 4.555 4.470 -0.000 0.000 0.226 47 S C 0.261 174.885 174.600 0.041 0.000 0.980 47 S CA -0.329 57.895 58.200 0.040 0.000 0.939 47 S CB 0.096 63.313 63.200 0.029 0.000 0.832 47 S HN 0.410 nan 8.310 nan 0.000 0.486 48 T N 0.466 115.045 114.554 0.041 0.000 2.888 48 T HA 0.530 4.880 4.350 -0.000 0.000 0.284 48 T C -0.456 174.289 174.700 0.075 0.000 1.017 48 T CA -0.942 61.187 62.100 0.049 0.000 1.022 48 T CB 0.876 69.770 68.868 0.043 0.000 1.013 48 T HN -0.036 nan 8.240 nan 0.000 0.465 49 N N 1.532 120.281 118.700 0.083 0.000 2.407 49 N HA 0.263 5.003 4.740 -0.000 0.000 0.250 49 N C -0.531 175.100 175.510 0.202 0.000 1.236 49 N CA -0.070 53.057 53.050 0.129 0.000 0.879 49 N CB 0.095 38.649 38.487 0.111 0.000 1.088 49 N HN 0.624 nan 8.380 nan 0.000 0.450 50 I N 1.845 122.575 120.570 0.267 0.000 2.433 50 I HA 0.409 4.579 4.170 -0.000 0.000 0.292 50 I C -0.876 175.558 176.117 0.528 0.000 1.001 50 I CA -0.713 60.816 61.300 0.382 0.000 1.119 50 I CB 1.054 39.197 38.000 0.238 0.000 1.289 50 I HN 0.293 nan 8.210 nan 0.000 0.438 51 F N 9.057 129.294 119.950 0.477 0.000 2.689 51 F HA 0.589 5.116 4.527 -0.000 0.000 0.332 51 F C -1.585 174.592 175.800 0.629 0.000 1.209 51 F CA -0.909 57.334 58.000 0.405 0.000 1.028 51 F CB 1.236 40.439 39.000 0.339 0.000 1.291 51 F HN 0.320 nan 8.300 nan 0.000 0.500 52 F N 2.253 122.058 119.950 -0.242 0.000 2.686 52 F HA 0.724 5.251 4.527 -0.000 0.000 0.311 52 F C -1.401 174.372 175.800 -0.045 0.000 1.128 52 F CA -1.325 56.683 58.000 0.014 0.000 0.946 52 F CB 1.348 40.296 39.000 -0.087 0.000 1.336 52 F HN 0.277 nan 8.300 nan 0.000 0.457 53 S N 2.141 118.028 115.700 0.311 0.000 2.448 53 S HA 0.497 4.967 4.470 -0.000 0.000 0.320 53 S C -2.091 172.554 174.600 0.074 0.000 1.071 53 S CA -1.600 56.632 58.200 0.054 0.000 1.113 53 S CB 1.034 64.340 63.200 0.177 0.000 0.972 53 S HN 0.517 nan 8.310 nan 0.000 0.465 54 P HA -0.077 nan 4.420 nan 0.000 0.216 54 P C 1.524 178.961 177.300 0.229 0.000 1.153 54 P CA 0.615 63.861 63.100 0.243 0.000 0.848 54 P CB 0.100 31.854 31.700 0.091 0.000 0.787 55 V N -0.243 119.702 119.914 0.052 0.000 2.261 55 V HA -0.249 3.870 4.120 -0.000 0.000 0.246 55 V C 2.639 178.813 176.094 0.132 0.000 1.047 55 V CA 2.492 64.839 62.300 0.078 0.000 1.015 55 V CB -1.491 30.301 31.823 -0.051 0.000 0.642 55 V HN 0.213 nan 8.190 nan 0.000 0.446 56 S N -0.424 115.327 115.700 0.085 0.000 2.353 56 S HA -0.190 4.280 4.470 -0.000 0.000 0.222 56 S C 1.883 176.571 174.600 0.147 0.000 1.035 56 S CA 2.110 60.391 58.200 0.135 0.000 1.025 56 S CB -0.376 62.957 63.200 0.221 0.000 0.902 56 S HN 0.498 nan 8.310 nan 0.000 0.440 57 I N 1.229 121.862 120.570 0.106 0.000 2.252 57 I HA -0.103 4.066 4.170 -0.000 0.000 0.245 57 I C 2.720 178.925 176.117 0.146 0.000 1.102 57 I CA 1.009 62.390 61.300 0.135 0.000 1.385 57 I CB -0.479 37.557 38.000 0.060 0.000 1.064 57 I HN 0.364 nan 8.210 nan 0.000 0.414 58 A N 0.481 123.344 122.820 0.073 0.000 1.873 58 A HA -0.171 4.148 4.320 -0.000 0.000 0.215 58 A C 2.381 179.853 177.584 -0.187 0.000 1.186 58 A CA 2.257 54.221 52.037 -0.121 0.000 0.616 58 A CB -1.110 17.891 19.000 0.001 0.000 0.823 58 A HN 0.344 nan 8.150 nan 0.000 0.442 59 T N 0.511 115.040 114.554 -0.042 0.000 2.759 59 T HA -0.088 4.261 4.350 -0.000 0.000 0.269 59 T C 2.110 176.697 174.700 -0.188 0.000 1.042 59 T CA 1.636 63.651 62.100 -0.142 0.000 1.140 59 T CB -0.400 68.584 68.868 0.193 0.000 0.864 59 T HN 0.591 nan 8.240 nan 0.000 0.455 60 A N 0.344 123.136 122.820 -0.047 0.000 1.929 60 A HA 0.103 4.423 4.320 -0.000 0.000 0.216 60 A C 1.832 179.252 177.584 -0.273 0.000 1.176 60 A CA 1.043 53.022 52.037 -0.098 0.000 0.628 60 A CB -0.671 18.366 19.000 0.062 0.000 0.816 60 A HN 0.482 nan 8.150 nan 0.000 0.444 61 F N -0.450 119.352 119.950 -0.248 0.000 2.569 61 F HA 0.217 4.744 4.527 -0.000 0.000 0.295 61 F C 2.586 178.179 175.800 -0.345 0.000 1.115 61 F CA 0.349 58.198 58.000 -0.252 0.000 1.450 61 F CB -0.230 38.653 39.000 -0.195 0.000 1.107 61 F HN 0.234 nan 8.300 nan 0.000 0.563 62 A N 0.026 122.609 122.820 -0.396 0.000 1.933 62 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 62 A C 2.289 179.560 177.584 -0.523 0.000 1.175 62 A CA 1.729 53.441 52.037 -0.543 0.000 0.628 62 A CB -0.656 17.643 19.000 -1.167 0.000 0.814 62 A HN 0.396 nan 8.150 nan 0.000 0.444 63 M N -1.043 118.051 119.600 -0.843 0.000 2.156 63 M HA -0.049 4.430 4.480 -0.000 0.000 0.264 63 M C 2.093 178.153 176.300 -0.400 0.000 1.067 63 M CA 1.736 56.415 55.300 -1.036 0.000 1.131 63 M CB -0.244 31.733 32.600 -1.038 0.000 1.368 63 M HN 0.386 nan 8.290 nan 0.000 0.416 64 L N 0.921 121.966 121.223 -0.296 0.000 2.042 64 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 64 L C 2.601 179.450 176.870 -0.034 0.000 1.076 64 L CA 2.424 57.196 54.840 -0.113 0.000 0.749 64 L CB -0.756 41.074 42.059 -0.382 0.000 0.893 64 L HN 0.561 nan 8.230 nan 0.000 0.432 65 S N -1.037 114.612 115.700 -0.084 0.000 2.440 65 S HA -0.218 4.252 4.470 -0.000 0.000 0.238 65 S C 1.996 176.681 174.600 0.141 0.000 1.010 65 S CA 1.502 59.700 58.200 -0.003 0.000 0.972 65 S CB -1.027 62.114 63.200 -0.098 0.000 0.774 65 S HN 0.552 nan 8.310 nan 0.000 0.501 66 L N 0.848 122.125 121.223 0.090 0.000 2.201 66 L HA 0.058 4.398 4.340 -0.000 0.000 0.212 66 L C 2.499 179.454 176.870 0.142 0.000 1.105 66 L CA 1.039 55.931 54.840 0.087 0.000 0.775 66 L CB -0.757 41.297 42.059 -0.007 0.000 0.913 66 L HN 0.572 nan 8.230 nan 0.000 0.440 67 G N -0.682 108.194 108.800 0.127 0.000 3.314 67 G HA2 0.098 4.058 3.960 -0.000 0.000 0.238 67 G HA3 0.098 4.058 3.960 -0.000 0.000 0.238 67 G C 0.455 175.245 174.900 -0.183 0.000 1.184 67 G CA 0.366 45.326 45.100 -0.234 0.000 0.806 67 G HN 0.338 nan 8.290 nan 0.000 0.536 68 T N -2.784 111.750 114.554 -0.034 0.000 2.916 68 T HA 0.794 5.144 4.350 -0.000 0.000 0.292 68 T C -0.880 173.839 174.700 0.030 0.000 1.064 68 T CA -0.843 61.257 62.100 -0.001 0.000 1.011 68 T CB 3.106 71.999 68.868 0.042 0.000 1.152 68 T HN -0.039 nan 8.240 nan 0.000 0.510 69 K N -0.105 120.308 120.400 0.021 0.000 2.482 69 K HA 0.814 5.134 4.320 -0.000 0.000 0.257 69 K C 0.352 176.973 176.600 0.035 0.000 0.969 69 K CA 0.076 56.353 56.287 -0.016 0.000 0.842 69 K CB 1.740 34.209 32.500 -0.051 0.000 1.359 69 K HN 1.193 nan 8.250 nan 0.000 0.441 70 A N 0.713 123.537 122.820 0.006 0.000 5.585 70 A HA -0.329 3.991 4.320 -0.000 0.000 0.295 70 A C 0.920 178.554 177.584 0.084 0.000 1.985 70 A CA 1.567 53.624 52.037 0.033 0.000 0.716 70 A CB -1.801 17.204 19.000 0.010 0.000 1.237 70 A HN 0.874 nan 8.150 nan 0.000 0.371 71 D N -0.761 119.672 120.400 0.054 0.000 2.149 71 D HA -0.050 4.590 4.640 -0.000 0.000 0.198 71 D C 2.024 178.357 176.300 0.055 0.000 0.990 71 D CA 2.064 56.096 54.000 0.053 0.000 0.839 71 D CB -0.788 40.032 40.800 0.035 0.000 0.948 71 D HN 0.682 nan 8.370 nan 0.000 0.460 72 T N -0.033 114.550 114.554 0.049 0.000 2.684 72 T HA -0.212 4.138 4.350 -0.000 0.000 0.267 72 T C 1.783 176.510 174.700 0.046 0.000 1.036 72 T CA 1.369 63.488 62.100 0.032 0.000 1.148 72 T CB -0.433 68.443 68.868 0.013 0.000 0.863 72 T HN 0.356 nan 8.240 nan 0.000 0.436 73 H N 1.608 120.670 119.070 -0.013 0.000 2.321 73 H HA -0.100 4.456 4.556 -0.000 0.000 0.300 73 H C 1.592 176.925 175.328 0.009 0.000 1.087 73 H CA 1.833 57.878 56.048 -0.005 0.000 1.319 73 H CB -0.268 29.491 29.762 -0.004 0.000 1.379 73 H HN 0.234 nan 8.280 nan 0.000 0.501 74 D N 0.625 121.088 120.400 0.105 0.000 2.144 74 D HA -0.105 4.535 4.640 -0.000 0.000 0.200 74 D C 2.226 178.519 176.300 -0.011 0.000 0.978 74 D CA 0.760 54.794 54.000 0.058 0.000 0.833 74 D CB -0.317 40.559 40.800 0.125 0.000 0.961 74 D HN 0.552 nan 8.370 nan 0.000 0.470 75 E N -0.014 120.188 120.200 0.003 0.000 2.118 75 E HA -0.147 4.203 4.350 -0.000 0.000 0.195 75 E C 2.182 178.775 176.600 -0.011 0.000 0.992 75 E CA 0.580 56.985 56.400 0.007 0.000 0.804 75 E CB -0.041 29.673 29.700 0.022 0.000 0.741 75 E HN 0.331 nan 8.360 nan 0.000 0.458 76 I N 0.677 121.217 120.570 -0.050 0.000 2.202 76 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 76 I C 2.265 178.347 176.117 -0.058 0.000 1.091 76 I CA 0.943 62.215 61.300 -0.046 0.000 1.368 76 I CB -0.150 37.821 38.000 -0.048 0.000 1.058 76 I HN 0.112 nan 8.210 nan 0.000 0.410 77 L N -0.043 121.119 121.223 -0.103 0.000 2.131 77 L HA -0.099 4.241 4.340 -0.000 0.000 0.206 77 L C 2.561 179.531 176.870 0.166 0.000 1.087 77 L CA 0.953 55.800 54.840 0.011 0.000 0.767 77 L CB -0.599 41.365 42.059 -0.158 0.000 0.917 77 L HN 0.246 nan 8.230 nan 0.000 0.441 78 E N 0.530 120.773 120.200 0.071 0.000 2.106 78 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 78 E C 2.171 178.797 176.600 0.044 0.000 0.984 78 E CA 1.277 57.720 56.400 0.072 0.000 0.806 78 E CB -0.180 29.549 29.700 0.049 0.000 0.750 78 E HN 0.501 nan 8.360 nan 0.000 0.458 79 G N 0.849 109.663 108.800 0.025 0.000 2.509 79 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.218 79 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.218 79 G C 1.399 176.302 174.900 0.005 0.000 1.124 79 G CA 0.110 45.222 45.100 0.020 0.000 0.776 79 G HN 0.146 nan 8.290 nan 0.000 0.547 80 L N 0.072 121.248 121.223 -0.077 0.000 2.685 80 L HA 0.248 4.588 4.340 -0.000 0.000 0.233 80 L C 0.540 177.244 176.870 -0.276 0.000 1.173 80 L CA -0.231 54.421 54.840 -0.314 0.000 0.961 80 L CB -0.290 41.620 42.059 -0.247 0.000 1.217 80 L HN 0.189 nan 8.230 nan 0.000 0.478 81 N N -0.199 118.428 118.700 -0.123 0.000 2.815 81 N HA -0.175 4.564 4.740 -0.000 0.000 0.249 81 N C -0.672 174.624 175.510 -0.357 0.000 1.114 81 N CA 0.548 53.487 53.050 -0.185 0.000 0.717 81 N CB -1.262 37.130 38.487 -0.158 0.000 1.074 81 N HN 0.170 nan 8.380 nan 0.000 0.555 82 F N 1.112 121.049 119.950 -0.023 0.000 2.420 82 F HA 0.299 4.826 4.527 -0.000 0.000 0.342 82 F C 1.038 176.833 175.800 -0.008 0.000 1.113 82 F CA -0.908 57.080 58.000 -0.020 0.000 1.059 82 F CB 0.897 39.881 39.000 -0.026 0.000 1.128 82 F HN -0.108 nan 8.300 nan 0.000 0.475 83 N N 4.027 122.824 118.700 0.160 0.000 2.439 83 N HA 0.179 4.918 4.740 -0.000 0.000 0.243 83 N C 0.359 175.936 175.510 0.112 0.000 1.088 83 N CA 0.016 53.129 53.050 0.105 0.000 0.940 83 N CB 0.487 39.013 38.487 0.064 0.000 1.180 83 N HN 0.701 nan 8.380 nan 0.000 0.505 84 L N 1.920 123.204 121.223 0.101 0.000 2.610 84 L HA -0.002 4.338 4.340 -0.000 0.000 0.232 84 L C 1.729 178.638 176.870 0.065 0.000 1.149 84 L CA 0.741 55.633 54.840 0.086 0.000 0.872 84 L CB -0.456 41.656 42.059 0.089 0.000 0.992 84 L HN 0.628 nan 8.230 nan 0.000 0.447 85 T N -4.682 109.906 114.554 0.058 0.000 3.086 85 T HA 0.034 4.384 4.350 -0.000 0.000 0.250 85 T C 1.213 175.939 174.700 0.044 0.000 1.074 85 T CA 0.297 62.424 62.100 0.045 0.000 0.988 85 T CB 0.510 69.400 68.868 0.037 0.000 0.988 85 T HN 0.337 nan 8.240 nan 0.000 0.530 86 E N -0.126 120.106 120.200 0.054 0.000 2.564 86 E HA 0.424 4.773 4.350 -0.000 0.000 0.203 86 E C 0.048 176.682 176.600 0.058 0.000 0.867 86 E CA -0.313 56.119 56.400 0.053 0.000 1.250 86 E CB 0.736 30.470 29.700 0.057 0.000 1.215 86 E HN 0.552 nan 8.360 nan 0.000 0.566 87 I N 2.539 123.154 120.570 0.074 0.000 2.354 87 I HA 0.398 4.568 4.170 -0.000 0.000 0.292 87 I C -2.605 173.536 176.117 0.040 0.000 0.989 87 I CA -2.813 58.527 61.300 0.068 0.000 1.188 87 I CB 1.412 39.480 38.000 0.113 0.000 1.342 87 I HN -0.086 nan 8.210 nan 0.000 0.457 88 P HA 0.135 nan 4.420 nan 0.000 0.268 88 P C 0.053 177.355 177.300 0.004 0.000 1.204 88 P CA -0.036 63.077 63.100 0.021 0.000 0.768 88 P CB 0.615 32.328 31.700 0.022 0.000 0.842 89 E N 2.176 122.391 120.200 0.024 0.000 2.130 89 E HA -0.262 4.087 4.350 -0.000 0.000 0.196 89 E C 1.887 178.538 176.600 0.085 0.000 0.998 89 E CA 1.640 58.064 56.400 0.039 0.000 0.806 89 E CB -0.324 29.457 29.700 0.135 0.000 0.738 89 E HN 0.544 nan 8.360 nan 0.000 0.459 90 A N 1.253 124.128 122.820 0.092 0.000 1.933 90 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 90 A C 2.113 179.736 177.584 0.065 0.000 1.175 90 A CA 1.220 53.320 52.037 0.104 0.000 0.628 90 A CB -0.281 18.755 19.000 0.059 0.000 0.814 90 A HN 0.138 nan 8.150 nan 0.000 0.444 91 Q N -0.460 119.350 119.800 0.016 0.000 2.119 91 Q HA -0.097 4.242 4.340 -0.000 0.000 0.201 91 Q C 2.153 178.121 176.000 -0.053 0.000 0.972 91 Q CA 1.268 57.068 55.803 -0.006 0.000 0.847 91 Q CB -0.349 28.389 28.738 0.000 0.000 0.903 91 Q HN 0.786 nan 8.270 nan 0.000 0.433 92 I N 0.335 120.814 120.570 -0.151 0.000 2.163 92 I HA -0.311 3.859 4.170 -0.000 0.000 0.243 92 I C 2.347 178.384 176.117 -0.133 0.000 1.085 92 I CA 1.265 62.361 61.300 -0.340 0.000 1.347 92 I CB -0.399 37.163 38.000 -0.729 0.000 1.044 92 I HN 0.265 nan 8.210 nan 0.000 0.408 93 H N 1.024 120.149 119.070 0.092 0.000 2.363 93 H HA -0.102 4.454 4.556 -0.000 0.000 0.301 93 H C 2.070 177.445 175.328 0.079 0.000 1.074 93 H CA 1.587 57.743 56.048 0.180 0.000 1.354 93 H CB -0.250 29.595 29.762 0.139 0.000 1.397 93 H HN 0.535 nan 8.280 nan 0.000 0.516 94 E N 0.660 120.934 120.200 0.123 0.000 2.338 94 E HA -0.066 4.284 4.350 -0.000 0.000 0.197 94 E C 2.266 178.868 176.600 0.003 0.000 1.007 94 E CA 0.793 57.216 56.400 0.038 0.000 0.849 94 E CB -0.275 29.438 29.700 0.021 0.000 0.774 94 E HN 0.325 nan 8.360 nan 0.000 0.506 95 G N 1.133 109.921 108.800 -0.019 0.000 2.414 95 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.215 95 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.215 95 G C 1.163 175.979 174.900 -0.140 0.000 1.188 95 G CA 0.488 45.523 45.100 -0.108 0.000 0.783 95 G HN 0.186 nan 8.290 nan 0.000 0.537 96 F N 0.839 120.787 119.950 -0.003 0.000 2.134 96 F HA -0.024 4.503 4.527 -0.000 0.000 0.299 96 F C 3.015 178.749 175.800 -0.110 0.000 1.097 96 F CA 1.425 59.428 58.000 0.005 0.000 1.264 96 F CB -0.470 38.614 39.000 0.141 0.000 1.001 96 F HN 0.079 nan 8.300 nan 0.000 0.479 97 Q N 0.355 120.141 119.800 -0.024 0.000 2.014 97 Q HA -0.204 4.136 4.340 -0.000 0.000 0.207 97 Q C 2.274 178.249 176.000 -0.043 0.000 0.993 97 Q CA 1.898 57.622 55.803 -0.132 0.000 0.850 97 Q CB -0.384 28.279 28.738 -0.126 0.000 0.916 97 Q HN 0.223 nan 8.270 nan 0.000 0.417 98 E N -0.135 120.051 120.200 -0.024 0.000 2.085 98 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 98 E C 1.957 178.557 176.600 -0.000 0.000 0.994 98 E CA 0.848 57.241 56.400 -0.012 0.000 0.801 98 E CB -0.331 29.359 29.700 -0.017 0.000 0.743 98 E HN 0.248 nan 8.360 nan 0.000 0.453 99 L N 0.567 121.788 121.223 -0.003 0.000 2.093 99 L HA -0.088 4.251 4.340 -0.000 0.000 0.208 99 L C 2.134 179.029 176.870 0.042 0.000 1.085 99 L CA 1.302 56.148 54.840 0.009 0.000 0.755 99 L CB -0.353 41.701 42.059 -0.008 0.000 0.904 99 L HN 0.044 nan 8.230 nan 0.000 0.435 100 L N -1.044 120.219 121.223 0.067 0.000 2.552 100 L HA -0.032 4.308 4.340 -0.000 0.000 0.227 100 L C 2.446 179.385 176.870 0.114 0.000 1.146 100 L CA 0.411 55.318 54.840 0.113 0.000 0.858 100 L CB -0.333 41.809 42.059 0.140 0.000 0.969 100 L HN 0.238 nan 8.230 nan 0.000 0.451 101 R N -0.790 119.749 120.500 0.066 0.000 2.090 101 R HA -0.049 4.291 4.340 -0.000 0.000 0.219 101 R C 2.417 178.728 176.300 0.018 0.000 1.100 101 R CA 1.592 57.719 56.100 0.047 0.000 0.991 101 R CB -0.324 29.995 30.300 0.032 0.000 0.893 101 R HN 0.381 nan 8.270 nan 0.000 0.443 102 T N -0.758 113.805 114.554 0.015 0.000 2.985 102 T HA 0.046 4.396 4.350 -0.000 0.000 0.266 102 T C 1.954 176.657 174.700 0.005 0.000 1.076 102 T CA 0.599 62.705 62.100 0.009 0.000 1.135 102 T CB -0.060 68.813 68.868 0.009 0.000 0.890 102 T HN 0.057 nan 8.240 nan 0.000 0.480 103 L N 0.753 121.978 121.223 0.004 0.000 2.131 103 L HA 0.148 4.487 4.340 -0.000 0.000 0.206 103 L C 1.151 178.016 176.870 -0.009 0.000 1.087 103 L CA 0.765 55.603 54.840 -0.003 0.000 0.767 103 L CB -0.363 41.697 42.059 0.002 0.000 0.917 103 L HN 0.255 nan 8.230 nan 0.000 0.441 104 N N 0.822 119.505 118.700 -0.028 0.000 2.994 104 N HA 0.080 4.820 4.740 -0.000 0.000 0.306 104 N C -0.261 175.216 175.510 -0.054 0.000 1.348 104 N CA 0.051 53.057 53.050 -0.073 0.000 1.109 104 N CB 0.335 38.697 38.487 -0.209 0.000 1.415 104 N HN 0.214 nan 8.380 nan 0.000 0.529 105 Q N 0.340 120.128 119.800 -0.020 0.000 2.373 105 Q HA 0.157 4.497 4.340 -0.000 0.000 0.255 105 Q C -1.096 174.900 176.000 -0.008 0.000 0.980 105 Q CA -1.128 54.670 55.803 -0.008 0.000 0.882 105 Q CB 0.751 29.492 28.738 0.006 0.000 1.249 105 Q HN 0.164 nan 8.270 nan 0.000 0.438 106 P HA -0.081 nan 4.420 nan 0.000 0.214 106 P C -0.386 176.921 177.300 0.011 0.000 1.162 106 P CA 1.168 64.268 63.100 0.001 0.000 0.879 106 P CB 0.348 32.050 31.700 0.003 0.000 0.786 107 D N -1.080 119.328 120.400 0.014 0.000 2.781 107 D HA 0.112 4.752 4.640 -0.000 0.000 0.254 107 D C 0.996 177.311 176.300 0.024 0.000 1.213 107 D CA 0.150 54.162 54.000 0.020 0.000 0.994 107 D CB 0.242 41.054 40.800 0.019 0.000 1.019 107 D HN -0.044 nan 8.370 nan 0.000 0.514 108 S N 1.164 116.880 115.700 0.027 0.000 2.348 108 S HA -0.139 4.330 4.470 -0.000 0.000 0.219 108 S C 1.336 175.962 174.600 0.044 0.000 1.033 108 S CA 1.349 59.568 58.200 0.033 0.000 0.974 108 S CB 0.132 63.351 63.200 0.033 0.000 0.868 108 S HN 0.557 nan 8.310 nan 0.000 0.459 109 Q N -1.544 118.284 119.800 0.047 0.000 2.559 109 Q HA -0.224 4.116 4.340 -0.000 0.000 0.151 109 Q C -0.520 175.518 176.000 0.064 0.000 0.725 109 Q CA 0.946 56.781 55.803 0.053 0.000 1.230 109 Q CB -1.533 27.238 28.738 0.055 0.000 1.099 109 Q HN 0.506 nan 8.270 nan 0.000 1.047 110 L N 2.504 123.772 121.223 0.075 0.000 2.361 110 L HA 0.165 4.505 4.340 -0.000 0.000 0.278 110 L C 0.337 177.278 176.870 0.119 0.000 1.113 110 L CA 1.002 55.906 54.840 0.107 0.000 0.849 110 L CB 0.958 43.071 42.059 0.091 0.000 1.155 110 L HN 0.166 nan 8.230 nan 0.000 0.452 111 Q N 4.631 124.510 119.800 0.132 0.000 3.027 111 Q HA 0.311 4.651 4.340 -0.000 0.000 0.260 111 Q C -1.228 174.903 176.000 0.219 0.000 1.379 111 Q CA 0.087 55.944 55.803 0.089 0.000 1.038 111 Q CB -0.003 28.688 28.738 -0.078 0.000 1.578 111 Q HN 0.613 nan 8.270 nan 0.000 0.571 112 L N 1.924 123.280 121.223 0.221 0.000 2.388 112 L HA 0.422 4.761 4.340 -0.000 0.000 0.267 112 L C -1.000 176.001 176.870 0.218 0.000 0.995 112 L CA -0.088 54.906 54.840 0.256 0.000 0.864 112 L CB 1.762 43.913 42.059 0.154 0.000 1.216 112 L HN 0.158 nan 8.230 nan 0.000 0.430 113 T N 2.332 117.058 114.554 0.287 0.000 2.738 113 T HA 0.411 4.760 4.350 -0.000 0.000 0.298 113 T C -0.156 174.732 174.700 0.313 0.000 0.962 113 T CA -0.117 62.160 62.100 0.295 0.000 0.972 113 T CB 0.854 69.937 68.868 0.358 0.000 0.928 113 T HN 0.547 nan 8.240 nan 0.000 0.474 114 T N 2.253 116.924 114.554 0.196 0.000 2.912 114 T HA 0.741 5.091 4.350 -0.000 0.000 0.299 114 T C -0.543 174.070 174.700 -0.145 0.000 1.052 114 T CA -0.468 61.672 62.100 0.067 0.000 0.996 114 T CB 1.280 70.201 68.868 0.088 0.000 1.070 114 T HN 0.777 nan 8.240 nan 0.000 0.465 115 G N 2.825 111.235 108.800 -0.651 0.000 2.733 115 G HA2 0.519 4.479 3.960 -0.000 0.000 0.297 115 G HA3 0.519 4.479 3.960 -0.000 0.000 0.297 115 G C -1.693 172.902 174.900 -0.509 0.000 1.422 115 G CA -0.600 44.073 45.100 -0.712 0.000 0.942 115 G HN 0.617 nan 8.290 nan 0.000 0.510 116 N N 0.052 118.739 118.700 -0.021 0.000 2.443 116 N HA 0.537 5.277 4.740 -0.000 0.000 0.269 116 N C -0.191 175.470 175.510 0.252 0.000 0.985 116 N CA -0.244 52.879 53.050 0.122 0.000 0.921 116 N CB 2.073 40.593 38.487 0.055 0.000 1.195 116 N HN 0.719 nan 8.380 nan 0.000 0.492 117 G N 2.739 111.767 108.800 0.379 0.000 2.468 117 G HA2 0.473 4.433 3.960 -0.000 0.000 0.315 117 G HA3 0.473 4.433 3.960 -0.000 0.000 0.315 117 G C -0.225 174.718 174.900 0.072 0.000 1.203 117 G CA -0.415 44.766 45.100 0.134 0.000 0.962 117 G HN 0.430 nan 8.290 nan 0.000 0.476 118 L N 2.358 123.483 121.223 -0.164 0.000 2.265 118 L HA 0.466 4.806 4.340 -0.000 0.000 0.288 118 L C -0.823 175.987 176.870 -0.100 0.000 1.058 118 L CA -0.499 54.375 54.840 0.056 0.000 0.809 118 L CB 1.064 43.188 42.059 0.108 0.000 1.179 118 L HN 0.400 nan 8.230 nan 0.000 0.429 119 F N 4.633 124.836 119.950 0.422 0.000 2.513 119 F HA 0.458 4.984 4.527 -0.000 0.000 0.358 119 F C -0.319 175.844 175.800 0.606 0.000 1.118 119 F CA -0.443 57.822 58.000 0.441 0.000 1.037 119 F CB 1.327 40.602 39.000 0.457 0.000 1.276 119 F HN 0.206 nan 8.300 nan 0.000 0.446 120 L N 1.692 123.210 121.223 0.491 0.000 2.334 120 L HA 0.492 4.832 4.340 -0.000 0.000 0.273 120 L C 0.521 177.621 176.870 0.383 0.000 1.013 120 L CA -0.687 54.391 54.840 0.396 0.000 0.816 120 L CB 1.875 43.935 42.059 0.001 0.000 1.278 120 L HN 0.446 nan 8.230 nan 0.000 0.431 121 S N 1.255 117.245 115.700 0.485 0.000 2.552 121 S HA 0.031 4.500 4.470 -0.000 0.000 0.289 121 S C -0.001 174.676 174.600 0.128 0.000 1.304 121 S CA -0.499 57.916 58.200 0.358 0.000 1.063 121 S CB 0.075 63.496 63.200 0.368 0.000 0.848 121 S HN 0.630 nan 8.310 nan 0.000 0.499 122 E N 3.042 123.277 120.200 0.059 0.000 2.383 122 E HA 0.457 4.807 4.350 -0.000 0.000 0.264 122 E C 1.081 177.702 176.600 0.034 0.000 1.050 122 E CA -0.119 56.298 56.400 0.028 0.000 0.896 122 E CB 0.318 30.021 29.700 0.005 0.000 0.982 122 E HN 0.837 nan 8.360 nan 0.000 0.424 123 G N 2.413 111.224 108.800 0.018 0.000 2.254 123 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.225 123 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.225 123 G C 0.161 175.064 174.900 0.005 0.000 1.003 123 G CA -0.014 45.094 45.100 0.014 0.000 0.622 123 G HN 0.462 nan 8.290 nan 0.000 0.507 124 L N 1.602 122.826 121.223 0.003 0.000 2.410 124 L HA 0.320 4.660 4.340 -0.000 0.000 0.273 124 L C 1.021 177.872 176.870 -0.031 0.000 1.152 124 L CA -0.099 54.728 54.840 -0.022 0.000 0.855 124 L CB 0.912 42.946 42.059 -0.041 0.000 1.129 124 L HN 0.113 nan 8.230 nan 0.000 0.463 125 K N 5.225 125.603 120.400 -0.036 0.000 2.292 125 K HA 0.315 4.635 4.320 -0.000 0.000 0.290 125 K C -0.715 175.853 176.600 -0.053 0.000 1.083 125 K CA -0.394 55.870 56.287 -0.037 0.000 0.918 125 K CB 0.284 32.766 32.500 -0.031 0.000 1.089 125 K HN 0.526 nan 8.250 nan 0.000 0.473 126 L N 4.411 125.604 121.223 -0.050 0.000 2.349 126 L HA 0.192 4.532 4.340 -0.000 0.000 0.275 126 L C 0.133 176.983 176.870 -0.033 0.000 1.115 126 L CA -0.986 53.821 54.840 -0.056 0.000 0.820 126 L CB 1.460 43.496 42.059 -0.040 0.000 1.135 126 L HN 0.283 nan 8.230 nan 0.000 0.445 127 V N 2.968 122.862 119.914 -0.034 0.000 2.485 127 V HA -0.080 4.040 4.120 -0.000 0.000 0.287 127 V C 0.886 177.000 176.094 0.034 0.000 1.022 127 V CA 0.031 62.327 62.300 -0.006 0.000 1.067 127 V CB 0.679 32.495 31.823 -0.012 0.000 0.967 127 V HN 0.747 nan 8.190 nan 0.000 0.479 128 D N 3.422 123.827 120.400 0.007 0.000 2.104 128 D HA -0.177 4.463 4.640 -0.000 0.000 0.194 128 D C 1.980 178.280 176.300 -0.000 0.000 0.994 128 D CA 1.631 55.629 54.000 -0.003 0.000 0.830 128 D CB 0.028 40.819 40.800 -0.016 0.000 0.959 128 D HN 0.685 nan 8.370 nan 0.000 0.452 129 K N -0.480 119.926 120.400 0.011 0.000 2.147 129 K HA -0.162 4.158 4.320 -0.000 0.000 0.205 129 K C 2.070 178.681 176.600 0.017 0.000 1.049 129 K CA 0.694 56.983 56.287 0.002 0.000 0.936 129 K CB -0.270 32.232 32.500 0.003 0.000 0.722 129 K HN 0.059 nan 8.250 nan 0.000 0.446 130 F N 1.418 121.315 119.950 -0.087 0.000 2.113 130 F HA -0.106 4.421 4.527 -0.000 0.000 0.297 130 F C 1.499 177.236 175.800 -0.106 0.000 1.103 130 F CA 1.372 59.311 58.000 -0.101 0.000 1.248 130 F CB -0.125 38.807 39.000 -0.114 0.000 0.999 130 F HN -0.055 nan 8.300 nan 0.000 0.475 131 L N 0.038 121.173 121.223 -0.148 0.000 2.141 131 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 131 L C 2.484 179.215 176.870 -0.232 0.000 1.094 131 L CA 1.689 56.383 54.840 -0.244 0.000 0.763 131 L CB -0.916 41.075 42.059 -0.113 0.000 0.908 131 L HN 0.271 nan 8.230 nan 0.000 0.437 132 E N 0.550 120.656 120.200 -0.157 0.000 2.072 132 E HA -0.228 4.122 4.350 -0.000 0.000 0.191 132 E C 1.467 177.976 176.600 -0.152 0.000 0.985 132 E CA 1.400 57.724 56.400 -0.127 0.000 0.801 132 E CB 0.153 29.805 29.700 -0.080 0.000 0.750 132 E HN 0.407 nan 8.360 nan 0.000 0.452 133 D N 0.135 120.426 120.400 -0.181 0.000 2.097 133 D HA -0.121 4.519 4.640 -0.000 0.000 0.197 133 D C 2.062 178.242 176.300 -0.200 0.000 0.984 133 D CA 0.874 54.773 54.000 -0.169 0.000 0.826 133 D CB -0.221 40.486 40.800 -0.154 0.000 0.973 133 D HN 0.046 nan 8.370 nan 0.000 0.460 134 V N 0.880 120.561 119.914 -0.388 0.000 2.231 134 V HA -0.311 3.809 4.120 -0.000 0.000 0.248 134 V C 2.210 178.179 176.094 -0.209 0.000 1.054 134 V CA 1.939 64.008 62.300 -0.385 0.000 1.015 134 V CB -0.296 31.149 31.823 -0.629 0.000 0.638 134 V HN 0.188 nan 8.190 nan 0.000 0.444 135 K N -0.110 120.166 120.400 -0.207 0.000 1.980 135 K HA -0.092 4.228 4.320 -0.000 0.000 0.208 135 K C 1.820 178.347 176.600 -0.122 0.000 1.043 135 K CA 1.082 57.289 56.287 -0.134 0.000 0.938 135 K CB -0.187 32.238 32.500 -0.126 0.000 0.724 135 K HN 0.152 nan 8.250 nan 0.000 0.438 136 K N 0.982 121.307 120.400 -0.124 0.000 2.911 136 K HA 0.142 4.462 4.320 -0.000 0.000 0.239 136 K C 0.405 176.897 176.600 -0.181 0.000 1.090 136 K CA 0.104 56.321 56.287 -0.117 0.000 1.225 136 K CB 0.102 32.559 32.500 -0.071 0.000 1.087 136 K HN 0.149 nan 8.250 nan 0.000 0.464 137 L N -1.864 119.195 121.223 -0.274 0.000 2.824 137 L HA 0.081 4.420 4.340 -0.000 0.000 0.284 137 L C 0.352 176.868 176.870 -0.589 0.000 1.031 137 L CA -0.029 54.599 54.840 -0.353 0.000 1.226 137 L CB 0.430 42.371 42.059 -0.196 0.000 2.283 137 L HN 0.134 nan 8.230 nan 0.000 0.569 138 Y N -0.513 119.548 120.300 -0.399 0.000 2.612 138 Y HA 0.220 4.770 4.550 -0.000 0.000 0.250 138 Y C 0.226 175.987 175.900 -0.231 0.000 1.175 138 Y CA -0.576 57.345 58.100 -0.299 0.000 1.205 138 Y CB 0.000 38.344 38.460 -0.193 0.000 1.201 138 Y HN 0.181 nan 8.280 nan 0.000 0.532 139 H N -1.342 117.751 119.070 0.038 0.000 2.594 139 H HA -0.185 4.371 4.556 -0.000 0.000 0.316 139 H C 0.165 175.506 175.328 0.022 0.000 1.107 139 H CA 0.475 56.534 56.048 0.018 0.000 1.133 139 H CB -1.636 28.139 29.762 0.023 0.000 1.459 139 H HN 0.104 nan 8.280 nan 0.000 0.411 140 S N -0.057 115.668 115.700 0.042 0.000 2.722 140 S HA 0.488 4.958 4.470 -0.000 0.000 0.292 140 S C 0.460 175.005 174.600 -0.092 0.000 1.135 140 S CA -1.073 57.123 58.200 -0.006 0.000 1.003 140 S CB 1.896 65.055 63.200 -0.068 0.000 1.067 140 S HN 0.359 nan 8.310 nan 0.000 0.546 141 E N 0.453 120.568 120.200 -0.142 0.000 2.176 141 E HA 0.621 4.971 4.350 -0.000 0.000 0.267 141 E C -1.029 175.125 176.600 -0.743 0.000 0.893 141 E CA -0.481 55.675 56.400 -0.408 0.000 0.761 141 E CB 1.737 31.312 29.700 -0.207 0.000 1.133 141 E HN 0.635 nan 8.360 nan 0.000 0.409 142 A N 3.300 125.577 122.820 -0.904 0.000 2.330 142 A HA 0.793 5.113 4.320 -0.000 0.000 0.327 142 A C -1.298 175.668 177.584 -1.031 0.000 1.155 142 A CA -0.445 51.147 52.037 -0.742 0.000 0.803 142 A CB 0.402 19.166 19.000 -0.394 0.000 1.208 142 A HN 0.494 nan 8.150 nan 0.000 0.477 143 F N 0.162 119.918 119.950 -0.322 0.000 2.591 143 F HA 0.514 5.041 4.527 -0.000 0.000 0.309 143 F C 0.473 176.207 175.800 -0.111 0.000 1.098 143 F CA -0.381 57.465 58.000 -0.257 0.000 0.937 143 F CB 2.586 41.330 39.000 -0.426 0.000 1.250 143 F HN 0.558 nan 8.300 nan 0.000 0.447 144 T N 0.692 115.325 114.554 0.131 0.000 2.758 144 T HA 0.755 5.105 4.350 -0.000 0.000 0.285 144 T C -0.668 174.047 174.700 0.026 0.000 0.981 144 T CA -0.625 61.514 62.100 0.066 0.000 0.965 144 T CB 0.822 69.708 68.868 0.030 0.000 0.927 144 T HN 0.727 nan 8.240 nan 0.000 0.448 145 V N 0.736 120.600 119.914 -0.083 0.000 3.040 145 V HA 0.646 4.766 4.120 -0.000 0.000 0.312 145 V C -0.397 175.504 176.094 -0.321 0.000 1.115 145 V CA -1.313 60.847 62.300 -0.234 0.000 0.998 145 V CB 2.171 33.785 31.823 -0.348 0.000 1.042 145 V HN 0.877 nan 8.190 nan 0.000 0.433 146 N N 1.412 119.975 118.700 -0.228 0.000 2.439 146 N HA 0.285 5.024 4.740 -0.000 0.000 0.243 146 N C -0.165 175.263 175.510 -0.137 0.000 1.088 146 N CA -0.154 52.821 53.050 -0.126 0.000 0.940 146 N CB 0.522 38.980 38.487 -0.048 0.000 1.180 146 N HN 0.751 nan 8.380 nan 0.000 0.505 147 F N 1.429 121.411 119.950 0.053 0.000 2.802 147 F HA 0.181 4.708 4.527 -0.000 0.000 0.300 147 F C 2.225 178.044 175.800 0.033 0.000 1.168 147 F CA -0.044 57.984 58.000 0.047 0.000 1.433 147 F CB -0.157 38.882 39.000 0.065 0.000 1.115 147 F HN 0.544 nan 8.300 nan 0.000 0.582 148 G N -1.037 107.863 108.800 0.167 0.000 2.440 148 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.218 148 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.218 148 G C 0.440 175.390 174.900 0.083 0.000 1.154 148 G CA 0.671 45.834 45.100 0.106 0.000 0.767 148 G HN 0.203 nan 8.290 nan 0.000 0.552 149 D N -0.507 119.932 120.400 0.066 0.000 2.427 149 D HA 0.346 4.986 4.640 -0.000 0.000 0.226 149 D C 1.309 177.646 176.300 0.061 0.000 1.076 149 D CA -0.246 53.782 54.000 0.048 0.000 0.849 149 D CB 1.259 42.072 40.800 0.022 0.000 1.052 149 D HN -0.078 nan 8.370 nan 0.000 0.515 150 T N 2.805 117.402 114.554 0.071 0.000 2.759 150 T HA -0.153 4.196 4.350 -0.000 0.000 0.269 150 T C 1.480 176.206 174.700 0.043 0.000 1.042 150 T CA 1.034 63.181 62.100 0.078 0.000 1.140 150 T CB 0.224 69.128 68.868 0.059 0.000 0.864 150 T HN 0.425 nan 8.240 nan 0.000 0.455 151 E N 1.003 121.216 120.200 0.023 0.000 2.051 151 E HA -0.118 4.232 4.350 -0.000 0.000 0.192 151 E C 2.227 178.822 176.600 -0.008 0.000 0.991 151 E CA 0.910 57.313 56.400 0.005 0.000 0.799 151 E CB -0.371 29.331 29.700 0.002 0.000 0.748 151 E HN 0.611 nan 8.360 nan 0.000 0.449 152 E N 0.487 120.680 120.200 -0.012 0.000 2.047 152 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 152 E C 1.953 178.518 176.600 -0.058 0.000 0.987 152 E CA 1.014 57.395 56.400 -0.032 0.000 0.799 152 E CB 0.028 29.709 29.700 -0.032 0.000 0.752 152 E HN 0.139 nan 8.360 nan 0.000 0.449 153 A N 1.615 124.403 122.820 -0.054 0.000 1.898 153 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 153 A C 2.148 179.681 177.584 -0.086 0.000 1.181 153 A CA 1.577 53.553 52.037 -0.101 0.000 0.620 153 A CB -0.424 18.566 19.000 -0.017 0.000 0.819 153 A HN 0.157 nan 8.150 nan 0.000 0.442 154 K N -0.135 120.248 120.400 -0.028 0.000 2.025 154 K HA -0.170 4.150 4.320 -0.000 0.000 0.207 154 K C 2.168 178.723 176.600 -0.074 0.000 1.049 154 K CA 1.770 58.031 56.287 -0.043 0.000 0.933 154 K CB -0.190 32.304 32.500 -0.009 0.000 0.714 154 K HN 0.424 nan 8.250 nan 0.000 0.438 155 K N 0.729 121.094 120.400 -0.059 0.000 2.097 155 K HA -0.200 4.119 4.320 -0.000 0.000 0.206 155 K C 2.188 178.747 176.600 -0.069 0.000 1.049 155 K CA 1.478 57.732 56.287 -0.055 0.000 0.933 155 K CB 0.041 32.517 32.500 -0.040 0.000 0.717 155 K HN 0.147 nan 8.250 nan 0.000 0.442 156 Q N 0.358 120.101 119.800 -0.096 0.000 2.124 156 Q HA -0.110 4.230 4.340 -0.000 0.000 0.202 156 Q C 1.903 177.823 176.000 -0.133 0.000 0.977 156 Q CA 1.669 57.410 55.803 -0.103 0.000 0.850 156 Q CB 0.036 28.703 28.738 -0.119 0.000 0.901 156 Q HN 0.365 nan 8.270 nan 0.000 0.429 157 I N 0.395 120.779 120.570 -0.310 0.000 2.233 157 I HA -0.244 3.926 4.170 -0.000 0.000 0.243 157 I C 1.650 177.725 176.117 -0.069 0.000 1.093 157 I CA 0.687 61.691 61.300 -0.494 0.000 1.380 157 I CB -0.173 37.454 38.000 -0.622 0.000 1.067 157 I HN 0.227 nan 8.210 nan 0.000 0.413 158 N N 0.682 119.343 118.700 -0.065 0.000 2.216 158 N HA -0.149 4.590 4.740 -0.000 0.000 0.183 158 N C 1.318 176.807 175.510 -0.034 0.000 1.017 158 N CA 1.211 54.240 53.050 -0.035 0.000 0.861 158 N CB -0.374 38.086 38.487 -0.045 0.000 0.986 158 N HN 0.286 nan 8.380 nan 0.000 0.428 159 D N -0.396 119.994 120.400 -0.016 0.000 2.224 159 D HA -0.108 4.532 4.640 -0.000 0.000 0.205 159 D C 1.718 178.027 176.300 0.014 0.000 0.965 159 D CA 0.375 54.365 54.000 -0.018 0.000 0.852 159 D CB -0.250 40.540 40.800 -0.016 0.000 0.947 159 D HN 0.363 nan 8.370 nan 0.000 0.494 160 Y N 1.021 121.302 120.300 -0.033 0.000 2.200 160 Y HA -0.149 4.401 4.550 -0.000 0.000 0.290 160 Y C 1.891 177.791 175.900 0.001 0.000 1.137 160 Y CA 1.060 59.179 58.100 0.032 0.000 1.163 160 Y CB -0.271 38.290 38.460 0.169 0.000 0.988 160 Y HN -0.185 nan 8.280 nan 0.000 0.518 161 V N 0.847 120.576 119.914 -0.309 0.000 2.548 161 V HA -0.203 3.916 4.120 -0.000 0.000 0.249 161 V C 2.211 177.991 176.094 -0.524 0.000 1.055 161 V CA 1.978 63.879 62.300 -0.664 0.000 1.065 161 V CB -0.512 31.090 31.823 -0.368 0.000 0.681 161 V HN 0.416 nan 8.190 nan 0.000 0.462 162 E N 0.208 120.240 120.200 -0.281 0.000 2.031 162 E HA -0.262 4.088 4.350 -0.000 0.000 0.193 162 E C 2.326 178.810 176.600 -0.193 0.000 0.994 162 E CA 1.431 57.708 56.400 -0.206 0.000 0.800 162 E CB -0.130 29.495 29.700 -0.125 0.000 0.752 162 E HN 0.485 nan 8.360 nan 0.000 0.447 163 K N 0.224 120.526 120.400 -0.163 0.000 2.057 163 K HA -0.134 4.185 4.320 -0.000 0.000 0.207 163 K C 2.157 178.684 176.600 -0.122 0.000 1.049 163 K CA 1.491 57.715 56.287 -0.105 0.000 0.931 163 K CB -0.277 32.197 32.500 -0.042 0.000 0.714 163 K HN 0.150 nan 8.250 nan 0.000 0.440 164 G N -0.052 108.602 108.800 -0.244 0.000 2.422 164 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.218 164 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.218 164 G C 1.380 176.249 174.900 -0.051 0.000 1.140 164 G CA 1.400 46.412 45.100 -0.147 0.000 0.775 164 G HN 0.549 nan 8.290 nan 0.000 0.545 165 T N -2.620 111.809 114.554 -0.208 0.000 3.069 165 T HA 0.264 4.613 4.350 -0.000 0.000 0.252 165 T C 0.860 175.485 174.700 -0.125 0.000 1.053 165 T CA 0.385 62.416 62.100 -0.114 0.000 0.964 165 T CB -0.023 68.719 68.868 -0.210 0.000 1.005 165 T HN 0.396 nan 8.240 nan 0.000 0.532 166 Q N 0.434 120.171 119.800 -0.105 0.000 2.463 166 Q HA -0.195 4.145 4.340 -0.000 0.000 0.299 166 Q C 1.078 177.003 176.000 -0.126 0.000 1.353 166 Q CA 0.508 56.259 55.803 -0.087 0.000 0.828 166 Q CB -2.050 26.664 28.738 -0.041 0.000 1.157 166 Q HN 1.030 nan 8.270 nan 0.000 0.436 167 G N -0.833 107.878 108.800 -0.150 0.000 2.176 167 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.253 167 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.253 167 G C 0.638 175.422 174.900 -0.193 0.000 0.979 167 G CA 0.627 45.638 45.100 -0.149 0.000 0.641 167 G HN 0.301 nan 8.290 nan 0.000 0.530 168 K N -0.087 120.148 120.400 -0.276 0.000 2.228 168 K HA 0.350 4.669 4.320 -0.000 0.000 0.202 168 K C 0.970 177.409 176.600 -0.269 0.000 1.051 168 K CA 0.804 56.861 56.287 -0.382 0.000 0.960 168 K CB 0.035 32.066 32.500 -0.781 0.000 0.743 168 K HN 0.556 nan 8.250 nan 0.000 0.458 169 I N 1.540 121.979 120.570 -0.218 0.000 2.410 169 I HA 0.212 4.382 4.170 -0.000 0.000 0.286 169 I C -0.758 175.275 176.117 -0.139 0.000 1.009 169 I CA -1.220 59.989 61.300 -0.151 0.000 1.111 169 I CB 1.707 39.630 38.000 -0.127 0.000 1.262 169 I HN -0.271 nan 8.210 nan 0.000 0.443 170 V N 0.641 120.494 119.914 -0.100 0.000 2.919 170 V HA 0.560 4.680 4.120 -0.000 0.000 0.316 170 V C -0.185 175.874 176.094 -0.058 0.000 1.077 170 V CA -0.773 61.477 62.300 -0.082 0.000 0.977 170 V CB 1.535 33.314 31.823 -0.073 0.000 1.039 170 V HN 0.841 nan 8.190 nan 0.000 0.441 171 D N 0.330 120.700 120.400 -0.050 0.000 2.692 171 D HA -0.227 4.413 4.640 -0.000 0.000 0.233 171 D C 0.635 176.919 176.300 -0.026 0.000 1.172 171 D CA 1.084 55.063 54.000 -0.035 0.000 0.636 171 D CB -0.718 40.064 40.800 -0.031 0.000 1.028 171 D HN 0.748 nan 8.370 nan 0.000 0.419 172 L N -0.592 120.617 121.223 -0.023 0.000 1.989 172 L HA -0.042 4.298 4.340 -0.000 0.000 0.211 172 L C 0.710 177.587 176.870 0.011 0.000 1.071 172 L CA 1.652 56.491 54.840 -0.001 0.000 0.749 172 L CB 0.048 42.116 42.059 0.016 0.000 0.890 172 L HN 0.111 nan 8.230 nan 0.000 0.431 173 V N 2.022 121.941 119.914 0.008 0.000 2.408 173 V HA 0.129 4.249 4.120 -0.000 0.000 0.267 173 V C 1.175 177.269 176.094 0.000 0.000 1.047 173 V CA -0.368 61.938 62.300 0.010 0.000 0.937 173 V CB 0.902 32.728 31.823 0.005 0.000 0.999 173 V HN 0.334 nan 8.190 nan 0.000 0.472 174 K N 3.576 123.978 120.400 0.002 0.000 2.099 174 K HA 0.108 4.428 4.320 -0.000 0.000 0.203 174 K C 0.577 177.177 176.600 0.000 0.000 1.047 174 K CA 0.777 57.062 56.287 -0.002 0.000 0.963 174 K CB 0.368 32.866 32.500 -0.004 0.000 0.759 174 K HN 0.896 nan 8.250 nan 0.000 0.451 175 E N 0.812 121.014 120.200 0.004 0.000 2.246 175 E HA 0.414 4.764 4.350 -0.000 0.000 0.266 175 E C -0.925 175.680 176.600 0.009 0.000 0.880 175 E CA -0.450 55.954 56.400 0.006 0.000 0.762 175 E CB 1.781 31.483 29.700 0.002 0.000 1.180 175 E HN -0.100 nan 8.360 nan 0.000 0.416 176 L N 2.475 123.708 121.223 0.017 0.000 2.322 176 L HA 0.360 4.700 4.340 -0.000 0.000 0.279 176 L C 0.291 177.168 176.870 0.011 0.000 1.036 176 L CA -0.913 53.938 54.840 0.019 0.000 0.807 176 L CB 1.588 43.682 42.059 0.059 0.000 1.226 176 L HN 0.728 nan 8.230 nan 0.000 0.433 177 D N 1.898 122.290 120.400 -0.012 0.000 2.357 177 D HA 0.015 4.655 4.640 -0.000 0.000 0.242 177 D C 0.866 177.167 176.300 0.002 0.000 1.153 177 D CA -0.044 53.949 54.000 -0.011 0.000 0.918 177 D CB 1.309 42.092 40.800 -0.028 0.000 1.181 177 D HN 0.458 nan 8.370 nan 0.000 0.435 178 R N 0.612 121.120 120.500 0.013 0.000 2.092 178 R HA -0.133 4.207 4.340 -0.000 0.000 0.231 178 R C 1.419 177.735 176.300 0.027 0.000 1.119 178 R CA 1.484 57.603 56.100 0.031 0.000 0.970 178 R CB 0.045 30.361 30.300 0.027 0.000 0.864 178 R HN 0.543 nan 8.270 nan 0.000 0.440 179 D N -0.575 119.826 120.400 0.001 0.000 2.339 179 D HA -0.078 4.562 4.640 -0.000 0.000 0.217 179 D C 0.038 176.306 176.300 -0.053 0.000 1.050 179 D CA 0.171 54.169 54.000 -0.005 0.000 0.856 179 D CB -0.200 40.600 40.800 0.001 0.000 0.922 179 D HN -0.076 nan 8.370 nan 0.000 0.518 180 T N 0.631 115.106 114.554 -0.131 0.000 2.822 180 T HA 0.078 4.427 4.350 -0.000 0.000 0.288 180 T C 1.394 175.805 174.700 -0.481 0.000 0.991 180 T CA 0.393 62.300 62.100 -0.321 0.000 1.176 180 T CB 0.662 69.255 68.868 -0.457 0.000 0.951 180 T HN 0.107 nan 8.240 nan 0.000 0.526 181 V N 3.918 123.669 119.914 -0.272 0.000 3.621 181 V HA 0.535 4.655 4.120 -0.000 0.000 0.263 181 V C 0.009 176.150 176.094 0.079 0.000 1.272 181 V CA -0.121 62.138 62.300 -0.070 0.000 1.080 181 V CB -0.078 31.777 31.823 0.053 0.000 0.816 181 V HN 0.725 nan 8.190 nan 0.000 0.451 182 F N 1.602 121.430 119.950 -0.203 0.000 2.839 182 F HA 0.839 5.366 4.527 -0.000 0.000 0.344 182 F C -0.657 175.151 175.800 0.013 0.000 1.242 182 F CA -1.216 56.788 58.000 0.006 0.000 1.091 182 F CB 1.158 40.163 39.000 0.008 0.000 1.374 182 F HN 0.196 nan 8.300 nan 0.000 0.553 183 A N 6.759 129.793 122.820 0.357 0.000 2.356 183 A HA 0.764 5.084 4.320 -0.000 0.000 0.310 183 A C -2.049 175.688 177.584 0.255 0.000 1.075 183 A CA -0.693 51.453 52.037 0.181 0.000 0.746 183 A CB 1.615 20.753 19.000 0.231 0.000 1.221 183 A HN 0.884 nan 8.150 nan 0.000 0.443 184 L N 3.588 124.856 121.223 0.075 0.000 2.313 184 L HA 0.784 5.124 4.340 -0.000 0.000 0.283 184 L C -1.287 175.744 176.870 0.268 0.000 1.013 184 L CA -0.748 54.171 54.840 0.132 0.000 0.816 184 L CB 1.503 43.494 42.059 -0.112 0.000 1.236 184 L HN 0.540 nan 8.230 nan 0.000 0.419 185 V N 6.547 126.701 119.914 0.399 0.000 2.487 185 V HA 0.502 4.622 4.120 -0.000 0.000 0.298 185 V C -1.026 175.344 176.094 0.460 0.000 1.028 185 V CA -0.439 62.131 62.300 0.450 0.000 0.860 185 V CB 1.787 33.931 31.823 0.535 0.000 0.991 185 V HN 0.898 nan 8.190 nan 0.000 0.427 186 N N 6.259 125.212 118.700 0.422 0.000 2.448 186 N HA 0.421 5.160 4.740 -0.000 0.000 0.279 186 N C -1.637 174.113 175.510 0.400 0.000 1.025 186 N CA -0.230 53.035 53.050 0.358 0.000 0.898 186 N CB 1.876 40.594 38.487 0.385 0.000 1.303 186 N HN 0.733 nan 8.380 nan 0.000 0.495 187 Y N 2.270 122.746 120.300 0.293 0.000 2.570 187 Y HA 0.810 5.360 4.550 -0.000 0.000 0.345 187 Y C -0.975 175.078 175.900 0.255 0.000 1.014 187 Y CA -1.243 56.986 58.100 0.215 0.000 1.063 187 Y CB 1.518 40.078 38.460 0.166 0.000 1.272 187 Y HN 0.329 nan 8.280 nan 0.000 0.477 188 I N 3.192 124.026 120.570 0.440 0.000 2.667 188 I HA 0.412 4.582 4.170 -0.000 0.000 0.288 188 I C -2.311 174.124 176.117 0.529 0.000 1.267 188 I CA -0.700 60.873 61.300 0.456 0.000 1.055 188 I CB 1.379 39.658 38.000 0.465 0.000 1.294 188 I HN 0.736 nan 8.210 nan 0.000 0.429 189 F N 9.014 129.173 119.950 0.348 0.000 2.482 189 F HA 0.698 5.224 4.527 -0.001 0.000 0.331 189 F C -1.982 174.016 175.800 0.330 0.000 1.115 189 F CA -0.913 57.249 58.000 0.270 0.000 0.955 189 F CB 1.594 40.696 39.000 0.171 0.000 1.136 189 F HN 0.316 nan 8.300 nan 0.000 0.452 190 F N 6.759 126.278 119.950 -0.720 0.000 2.579 190 F HA 0.457 4.984 4.527 -0.000 0.000 0.325 190 F C -1.552 173.700 175.800 -0.913 0.000 1.162 190 F CA -0.847 56.764 58.000 -0.648 0.000 0.946 190 F CB 1.191 40.041 39.000 -0.251 0.000 1.211 190 F HN 0.465 nan 8.300 nan 0.000 0.447 191 K N 5.092 124.702 120.400 -1.317 0.000 2.473 191 K HA 0.637 4.957 4.320 -0.000 0.000 0.246 191 K C -0.214 175.682 176.600 -1.173 0.000 1.011 191 K CA -0.373 55.263 56.287 -1.086 0.000 0.984 191 K CB 0.948 33.092 32.500 -0.595 0.000 1.250 191 K HN 0.752 nan 8.250 nan 0.000 0.454 192 G N 3.042 110.830 108.800 -1.686 0.000 2.503 192 G HA2 0.233 4.192 3.960 -0.000 0.000 0.257 192 G HA3 0.233 4.192 3.960 -0.000 0.000 0.257 192 G C -0.900 173.610 174.900 -0.650 0.000 1.214 192 G CA -0.706 43.524 45.100 -1.449 0.000 0.839 192 G HN 0.583 nan 8.290 nan 0.000 0.559 193 K N 0.994 121.223 120.400 -0.286 0.000 2.240 193 K HA 0.181 4.501 4.320 -0.000 0.000 0.271 193 K C -0.896 175.796 176.600 0.153 0.000 1.018 193 K CA -0.385 55.862 56.287 -0.067 0.000 0.874 193 K CB 1.782 34.288 32.500 0.011 0.000 1.098 193 K HN 0.561 nan 8.250 nan 0.000 0.458 194 W N 2.480 123.933 121.300 0.255 0.000 2.210 194 W HA 0.017 4.677 4.660 -0.000 0.000 0.330 194 W C 1.346 177.920 176.519 0.092 0.000 1.334 194 W CA -0.316 57.119 57.345 0.150 0.000 1.227 194 W CB 0.441 29.960 29.460 0.097 0.000 1.178 194 W HN 0.673 nan 8.180 nan 0.000 0.560 195 E N 1.816 122.197 120.200 0.301 0.000 2.085 195 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 195 E C 0.371 176.990 176.600 0.031 0.000 0.994 195 E CA 1.167 57.629 56.400 0.103 0.000 0.801 195 E CB 0.028 29.727 29.700 -0.003 0.000 0.743 195 E HN 0.387 nan 8.360 nan 0.000 0.453 196 R N 1.477 121.999 120.500 0.037 0.000 2.363 196 R HA 0.283 4.623 4.340 -0.000 0.000 0.297 196 R C -2.454 173.851 176.300 0.007 0.000 1.208 196 R CA -1.573 54.562 56.100 0.058 0.000 1.121 196 R CB 1.299 31.500 30.300 -0.165 0.000 1.124 196 R HN 0.058 nan 8.270 nan 0.000 0.561 197 P HA 0.216 nan 4.420 nan 0.000 0.278 197 P C -0.604 176.674 177.300 -0.037 0.000 1.258 197 P CA -0.362 62.836 63.100 0.162 0.000 0.811 197 P CB 0.708 32.572 31.700 0.274 0.000 1.063 198 F N -0.765 119.233 119.950 0.081 0.000 2.380 198 F HA 0.313 4.839 4.527 -0.001 0.000 0.321 198 F C 1.373 177.190 175.800 0.029 0.000 1.103 198 F CA -0.400 57.611 58.000 0.019 0.000 1.067 198 F CB 0.692 39.684 39.000 -0.014 0.000 1.265 198 F HN 0.178 nan 8.300 nan 0.000 0.517 199 E N 0.471 120.792 120.200 0.202 0.000 2.174 199 E HA 0.207 4.557 4.350 -0.000 0.000 0.282 199 E C 0.481 177.134 176.600 0.088 0.000 0.992 199 E CA -0.405 56.059 56.400 0.106 0.000 0.803 199 E CB 1.911 31.639 29.700 0.046 0.000 1.090 199 E HN 0.435 nan 8.360 nan 0.000 0.396 200 V N 5.014 124.967 119.914 0.065 0.000 2.324 200 V HA -0.355 3.765 4.120 -0.000 0.000 0.250 200 V C 2.305 178.407 176.094 0.012 0.000 1.060 200 V CA 2.427 64.748 62.300 0.034 0.000 1.042 200 V CB -0.604 31.236 31.823 0.028 0.000 0.650 200 V HN 0.740 nan 8.190 nan 0.000 0.450 201 K N -0.228 120.179 120.400 0.012 0.000 2.286 201 K HA -0.243 4.077 4.320 -0.000 0.000 0.203 201 K C 1.219 177.816 176.600 -0.006 0.000 1.045 201 K CA 2.120 58.408 56.287 0.001 0.000 0.935 201 K CB -0.349 32.151 32.500 -0.000 0.000 0.737 201 K HN 0.396 nan 8.250 nan 0.000 0.460 202 D N 0.911 121.309 120.400 -0.003 0.000 2.350 202 D HA 0.014 4.654 4.640 -0.000 0.000 0.213 202 D C -0.173 176.096 176.300 -0.050 0.000 1.031 202 D CA 0.441 54.431 54.000 -0.018 0.000 0.861 202 D CB 0.348 41.148 40.800 0.001 0.000 0.926 202 D HN 0.153 nan 8.370 nan 0.000 0.520 203 T N 2.475 117.000 114.554 -0.048 0.000 2.779 203 T HA 0.237 4.587 4.350 -0.000 0.000 0.296 203 T C 0.376 175.042 174.700 -0.058 0.000 0.938 203 T CA -0.165 61.888 62.100 -0.078 0.000 1.119 203 T CB 0.814 69.635 68.868 -0.078 0.000 0.891 203 T HN 0.162 nan 8.240 nan 0.000 0.526 204 E N 1.968 122.130 120.200 -0.064 0.000 2.367 204 E HA 0.391 4.741 4.350 -0.000 0.000 0.273 204 E C -0.952 175.633 176.600 -0.025 0.000 0.903 204 E CA -1.104 55.274 56.400 -0.037 0.000 0.764 204 E CB 1.770 31.453 29.700 -0.027 0.000 1.252 204 E HN 0.485 nan 8.360 nan 0.000 0.446 205 E N 1.311 121.504 120.200 -0.012 0.000 2.366 205 E HA 0.012 4.362 4.350 -0.000 0.000 0.266 205 E C -0.672 175.938 176.600 0.016 0.000 1.015 205 E CA 0.410 56.810 56.400 0.001 0.000 0.906 205 E CB 0.569 30.268 29.700 -0.001 0.000 0.979 205 E HN 0.317 nan 8.360 nan 0.000 0.443 206 E N 3.004 123.225 120.200 0.034 0.000 2.446 206 E HA 0.227 4.577 4.350 -0.000 0.000 0.276 206 E C -1.233 175.400 176.600 0.054 0.000 0.969 206 E CA -0.835 55.596 56.400 0.052 0.000 0.800 206 E CB 1.050 30.803 29.700 0.088 0.000 1.341 206 E HN 0.464 nan 8.360 nan 0.000 0.460 207 D N 0.902 121.316 120.400 0.022 0.000 2.424 207 D HA 0.164 4.804 4.640 -0.000 0.000 0.244 207 D C -0.649 175.653 176.300 0.003 0.000 1.134 207 D CA 0.421 54.390 54.000 -0.052 0.000 0.881 207 D CB 0.180 40.854 40.800 -0.210 0.000 1.191 207 D HN 0.164 nan 8.370 nan 0.000 0.445 208 F N 2.777 122.656 119.950 -0.118 0.000 2.467 208 F HA 0.180 4.706 4.527 -0.001 0.000 0.336 208 F C 0.110 175.850 175.800 -0.101 0.000 1.123 208 F CA -0.742 57.245 58.000 -0.021 0.000 0.964 208 F CB 0.958 39.991 39.000 0.054 0.000 1.136 208 F HN 0.261 nan 8.300 nan 0.000 0.447 209 H N 7.093 125.991 119.070 -0.287 0.000 2.969 209 H HA 0.167 4.723 4.556 -0.000 0.000 0.269 209 H C 1.266 176.588 175.328 -0.010 0.000 1.223 209 H CA 0.129 56.113 56.048 -0.106 0.000 1.400 209 H CB 1.165 30.842 29.762 -0.142 0.000 1.500 209 H HN 0.719 nan 8.280 nan 0.000 0.486 210 V N 0.684 120.750 119.914 0.255 0.000 2.809 210 V HA -0.075 4.044 4.120 -0.000 0.000 0.256 210 V C 0.406 176.611 176.094 0.185 0.000 1.080 210 V CA 1.329 63.807 62.300 0.297 0.000 1.102 210 V CB -0.385 31.584 31.823 0.243 0.000 0.705 210 V HN 0.687 nan 8.190 nan 0.000 0.475 211 D N -2.937 117.549 120.400 0.144 0.000 2.768 211 D HA 0.183 4.822 4.640 -0.000 0.000 0.327 211 D C 0.561 176.922 176.300 0.101 0.000 1.302 211 D CA -0.570 53.493 54.000 0.106 0.000 0.897 211 D CB 0.575 41.425 40.800 0.084 0.000 1.420 211 D HN -0.119 nan 8.370 nan 0.000 0.494 212 Q N -1.087 118.755 119.800 0.069 0.000 2.364 212 Q HA 0.017 4.356 4.340 -0.000 0.000 0.207 212 Q C 1.313 177.355 176.000 0.069 0.000 0.970 212 Q CA 1.584 57.419 55.803 0.053 0.000 0.888 212 Q CB 0.129 28.884 28.738 0.029 0.000 0.951 212 Q HN 0.471 nan 8.270 nan 0.000 0.469 213 V N -5.082 114.875 119.914 0.072 0.000 3.398 213 V HA 0.281 4.401 4.120 -0.000 0.000 0.298 213 V C 0.161 176.295 176.094 0.067 0.000 1.496 213 V CA -0.355 61.984 62.300 0.066 0.000 1.044 213 V CB 1.118 32.968 31.823 0.044 0.000 0.880 213 V HN -0.113 nan 8.190 nan 0.000 0.443 214 T N 2.418 117.018 114.554 0.078 0.000 2.848 214 T HA 0.672 5.022 4.350 -0.000 0.000 0.285 214 T C -0.055 174.672 174.700 0.046 0.000 0.995 214 T CA 0.090 62.224 62.100 0.058 0.000 0.970 214 T CB 1.872 70.776 68.868 0.059 0.000 0.976 214 T HN 0.632 nan 8.240 nan 0.000 0.441 215 T N -0.583 113.970 114.554 -0.001 0.000 2.932 215 T HA 0.835 5.185 4.350 -0.000 0.000 0.289 215 T C -0.641 174.062 174.700 0.006 0.000 1.039 215 T CA -0.875 61.190 62.100 -0.058 0.000 1.024 215 T CB 1.843 70.598 68.868 -0.187 0.000 1.090 215 T HN 0.443 nan 8.240 nan 0.000 0.496 216 V N 1.042 120.983 119.914 0.045 0.000 2.914 216 V HA 0.573 4.693 4.120 -0.000 0.000 0.314 216 V C -1.145 174.981 176.094 0.053 0.000 1.084 216 V CA -1.079 61.252 62.300 0.051 0.000 0.963 216 V CB 2.170 34.031 31.823 0.063 0.000 1.025 216 V HN 0.846 nan 8.190 nan 0.000 0.432 217 K N 3.936 124.352 120.400 0.026 0.000 2.258 217 K HA 0.499 4.819 4.320 -0.000 0.000 0.284 217 K C -0.601 176.012 176.600 0.022 0.000 1.051 217 K CA -0.045 56.257 56.287 0.024 0.000 0.923 217 K CB 1.247 33.752 32.500 0.008 0.000 1.046 217 K HN 0.678 nan 8.250 nan 0.000 0.474 218 V N 0.340 120.279 119.914 0.042 0.000 2.823 218 V HA 0.617 4.736 4.120 -0.000 0.000 0.312 218 V C -2.633 173.469 176.094 0.014 0.000 1.072 218 V CA -2.811 59.500 62.300 0.020 0.000 0.937 218 V CB 2.006 33.849 31.823 0.034 0.000 1.013 218 V HN 0.475 nan 8.190 nan 0.000 0.430 219 P HA 0.297 nan 4.420 nan 0.000 0.271 219 P C -0.841 176.433 177.300 -0.042 0.000 1.233 219 P CA 0.077 63.159 63.100 -0.030 0.000 0.764 219 P CB 0.829 32.504 31.700 -0.043 0.000 0.825 220 M N 5.361 124.931 119.600 -0.049 0.000 2.066 220 M HA 0.332 4.812 4.480 -0.000 0.000 0.340 220 M C -0.341 175.847 176.300 -0.187 0.000 1.053 220 M CA -0.582 54.671 55.300 -0.079 0.000 0.983 220 M CB 0.569 33.169 32.600 0.000 0.000 1.520 220 M HN 0.211 nan 8.290 nan 0.000 0.428 221 M N 4.354 123.769 119.600 -0.309 0.000 2.242 221 M HA 0.358 4.838 4.480 -0.000 0.000 0.344 221 M C -0.471 175.595 176.300 -0.389 0.000 1.140 221 M CA 0.320 55.353 55.300 -0.444 0.000 1.160 221 M CB 0.592 32.630 32.600 -0.938 0.000 1.491 221 M HN 0.476 nan 8.290 nan 0.000 0.459 222 K N 2.221 122.516 120.400 -0.174 0.000 2.513 222 K HA 0.631 4.950 4.320 -0.000 0.000 0.251 222 K C -1.182 175.497 176.600 0.132 0.000 0.939 222 K CA -0.789 55.409 56.287 -0.149 0.000 0.793 222 K CB 3.016 35.287 32.500 -0.381 0.000 1.241 222 K HN 0.597 nan 8.250 nan 0.000 0.431 223 R N 2.719 123.323 120.500 0.173 0.000 2.515 223 R HA 0.270 4.609 4.340 -0.000 0.000 0.278 223 R C -1.756 174.660 176.300 0.194 0.000 1.107 223 R CA -0.874 55.319 56.100 0.154 0.000 0.945 223 R CB 1.162 31.511 30.300 0.082 0.000 1.219 223 R HN 0.503 nan 8.270 nan 0.000 0.434 224 L N 4.274 125.573 121.223 0.127 0.000 2.278 224 L HA 0.724 5.064 4.340 -0.000 0.000 0.287 224 L C -0.353 176.573 176.870 0.092 0.000 1.072 224 L CA 0.773 55.698 54.840 0.142 0.000 0.819 224 L CB 0.957 43.058 42.059 0.071 0.000 1.176 224 L HN 0.794 nan 8.230 nan 0.000 0.435 225 G N 4.675 113.558 108.800 0.138 0.000 2.664 225 G HA2 0.420 4.379 3.960 -0.000 0.000 0.303 225 G HA3 0.420 4.379 3.960 -0.000 0.000 0.303 225 G C -1.417 173.316 174.900 -0.278 0.000 1.243 225 G CA -0.879 44.091 45.100 -0.217 0.000 0.826 225 G HN 0.317 nan 8.290 nan 0.000 0.498 226 M N 0.967 120.259 119.600 -0.513 0.000 2.101 226 M HA 0.558 5.037 4.480 -0.000 0.000 0.340 226 M C -1.620 174.384 176.300 -0.493 0.000 1.057 226 M CA -0.286 54.828 55.300 -0.310 0.000 0.984 226 M CB 0.397 32.890 32.600 -0.178 0.000 1.560 226 M HN 0.313 nan 8.290 nan 0.000 0.435 227 F N 0.835 120.752 119.950 -0.056 0.000 2.546 227 F HA 0.351 4.878 4.527 -0.001 0.000 0.320 227 F C 0.857 176.641 175.800 -0.028 0.000 1.076 227 F CA -0.847 57.107 58.000 -0.077 0.000 0.928 227 F CB 1.442 40.378 39.000 -0.108 0.000 1.189 227 F HN 0.522 nan 8.300 nan 0.000 0.465 228 N N 2.967 121.765 118.700 0.163 0.000 2.498 228 N HA 0.340 5.079 4.740 -0.000 0.000 0.277 228 N C -1.243 174.350 175.510 0.139 0.000 1.208 228 N CA 0.114 53.240 53.050 0.127 0.000 1.029 228 N CB -0.007 38.531 38.487 0.086 0.000 1.403 228 N HN 0.543 nan 8.380 nan 0.000 0.500 229 I N 2.424 123.101 120.570 0.179 0.000 2.644 229 I HA 0.233 4.402 4.170 -0.000 0.000 0.291 229 I C -1.734 174.567 176.117 0.307 0.000 1.180 229 I CA -0.522 60.906 61.300 0.212 0.000 1.040 229 I CB 1.461 39.553 38.000 0.154 0.000 1.255 229 I HN 0.440 nan 8.210 nan 0.000 0.422 230 Q N 6.450 126.462 119.800 0.354 0.000 2.435 230 Q HA 0.402 4.742 4.340 -0.000 0.000 0.282 230 Q C -1.642 174.418 176.000 0.101 0.000 1.020 230 Q CA -0.820 55.148 55.803 0.274 0.000 0.820 230 Q CB 2.305 31.165 28.738 0.202 0.000 1.436 230 Q HN 0.676 nan 8.270 nan 0.000 0.395 234 K N 1.745 122.179 120.400 0.057 0.000 2.026 234 K HA 0.032 4.351 4.320 -0.000 0.000 0.208 234 K C 1.444 178.157 176.600 0.187 0.000 1.048 234 K CA 1.327 57.668 56.287 0.091 0.000 0.929 234 K CB 0.058 32.589 32.500 0.052 0.000 0.713 234 K HN 0.060 nan 8.250 nan 0.000 0.439 235 L N 1.152 122.452 121.223 0.127 0.000 2.599 235 L HA 0.066 4.406 4.340 -0.000 0.000 0.230 235 L C 0.160 177.148 176.870 0.195 0.000 1.141 235 L CA -0.028 54.882 54.840 0.118 0.000 0.877 235 L CB 0.031 42.138 42.059 0.080 0.000 1.009 235 L HN 0.144 nan 8.230 nan 0.000 0.447 236 S N 0.452 116.227 115.700 0.126 0.000 3.477 236 S HA -0.167 4.303 4.470 -0.000 0.000 0.371 236 S C 0.092 174.692 174.600 -0.001 0.000 0.965 236 S CA 0.552 58.794 58.200 0.069 0.000 1.239 236 S CB -1.094 62.156 63.200 0.084 0.000 0.918 236 S HN 0.526 nan 8.310 nan 0.000 0.498 237 S N -0.858 114.684 115.700 -0.263 0.000 2.541 237 S HA 0.529 4.999 4.470 -0.000 0.000 0.271 237 S C -0.583 173.752 174.600 -0.442 0.000 1.133 237 S CA -0.982 57.123 58.200 -0.159 0.000 0.876 237 S CB 0.868 64.148 63.200 0.134 0.000 1.105 237 S HN 0.471 nan 8.310 nan 0.000 0.470 238 W N 1.651 122.865 121.300 -0.143 0.000 2.216 238 W HA 0.481 5.141 4.660 -0.000 0.000 0.326 238 W C -0.443 176.038 176.519 -0.063 0.000 1.319 238 W CA -0.174 57.122 57.345 -0.081 0.000 1.213 238 W CB 0.615 30.013 29.460 -0.104 0.000 1.171 238 W HN 0.289 nan 8.180 nan 0.000 0.557 239 V N 5.906 125.915 119.914 0.158 0.000 2.443 239 V HA 0.325 4.444 4.120 -0.000 0.000 0.293 239 V C -0.854 175.188 176.094 -0.086 0.000 1.021 239 V CA -0.995 61.197 62.300 -0.180 0.000 0.848 239 V CB 1.148 32.547 31.823 -0.706 0.000 0.998 239 V HN 0.305 nan 8.190 nan 0.000 0.424 240 L N 6.782 127.984 121.223 -0.034 0.000 2.313 240 L HA 0.762 5.102 4.340 -0.000 0.000 0.283 240 L C -1.178 175.683 176.870 -0.016 0.000 1.013 240 L CA -0.128 54.711 54.840 -0.002 0.000 0.816 240 L CB 1.488 43.497 42.059 -0.084 0.000 1.236 240 L HN 0.507 nan 8.230 nan 0.000 0.419 241 L N 6.245 127.462 121.223 -0.010 0.000 2.313 241 L HA 0.632 4.971 4.340 -0.000 0.000 0.283 241 L C -0.399 176.496 176.870 0.042 0.000 1.013 241 L CA 0.021 54.873 54.840 0.019 0.000 0.816 241 L CB 1.702 43.772 42.059 0.019 0.000 1.236 241 L HN 0.615 nan 8.230 nan 0.000 0.419 242 M N 2.733 122.371 119.600 0.063 0.000 2.326 242 M HA 0.460 4.939 4.480 -0.000 0.000 0.306 242 M C -0.618 175.742 176.300 0.101 0.000 1.054 242 M CA -0.757 54.543 55.300 0.000 0.000 0.922 242 M CB 2.514 34.928 32.600 -0.309 0.000 1.632 242 M HN 0.435 nan 8.290 nan 0.000 0.436 243 K N 1.692 122.147 120.400 0.091 0.000 2.185 243 K HA 0.435 4.755 4.320 -0.000 0.000 0.271 243 K C -1.411 175.307 176.600 0.198 0.000 1.013 243 K CA -0.137 56.227 56.287 0.128 0.000 0.943 243 K CB 1.026 33.580 32.500 0.091 0.000 0.998 243 K HN 0.483 nan 8.250 nan 0.000 0.468 244 Y N 1.319 121.790 120.300 0.285 0.000 2.419 244 Y HA 0.169 4.719 4.550 -0.000 0.000 0.328 244 Y C 0.262 176.244 175.900 0.137 0.000 1.162 244 Y CA -1.343 56.877 58.100 0.199 0.000 1.174 244 Y CB 0.892 39.458 38.460 0.176 0.000 1.228 244 Y HN 0.249 nan 8.280 nan 0.000 0.473 245 L N 2.181 123.582 121.223 0.295 0.000 2.506 245 L HA 0.252 4.592 4.340 -0.000 0.000 0.281 245 L C 0.806 177.776 176.870 0.168 0.000 1.228 245 L CA 0.970 55.917 54.840 0.179 0.000 0.850 245 L CB -0.627 41.509 42.059 0.128 0.000 1.110 245 L HN 0.908 nan 8.230 nan 0.000 0.496 246 G N 3.538 112.410 108.800 0.121 0.000 2.725 246 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.220 246 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.220 246 G C -0.181 174.791 174.900 0.121 0.000 1.357 246 G CA -0.130 45.034 45.100 0.107 0.000 0.866 246 G HN 0.735 nan 8.290 nan 0.000 0.548 247 N N 0.865 119.625 118.700 0.101 0.000 2.918 247 N HA 0.614 5.354 4.740 -0.000 0.000 0.270 247 N C -0.029 175.549 175.510 0.112 0.000 1.536 247 N CA 0.388 53.499 53.050 0.101 0.000 0.877 247 N CB 1.259 39.787 38.487 0.069 0.000 1.190 247 N HN 1.018 nan 8.380 nan 0.000 0.492 248 A N 0.402 123.331 122.820 0.181 0.000 2.498 248 A HA 0.822 5.142 4.320 -0.000 0.000 0.298 248 A C -0.707 177.063 177.584 0.309 0.000 1.075 248 A CA -0.551 51.613 52.037 0.212 0.000 0.714 248 A CB 1.522 20.634 19.000 0.186 0.000 1.299 248 A HN 0.154 nan 8.150 nan 0.000 0.407 249 T N 1.334 116.044 114.554 0.259 0.000 2.879 249 T HA 0.636 4.986 4.350 -0.000 0.000 0.290 249 T C -0.161 174.665 174.700 0.210 0.000 0.993 249 T CA 0.101 62.325 62.100 0.205 0.000 0.975 249 T CB 1.490 70.441 68.868 0.139 0.000 0.981 249 T HN 1.313 nan 8.240 nan 0.000 0.439 250 A N 3.535 126.454 122.820 0.165 0.000 2.328 250 A HA 0.772 5.092 4.320 -0.000 0.000 0.284 250 A C -0.213 177.308 177.584 -0.105 0.000 1.160 250 A CA -0.573 51.508 52.037 0.073 0.000 0.818 250 A CB -0.007 19.088 19.000 0.159 0.000 1.087 250 A HN 0.935 nan 8.150 nan 0.000 0.504 251 I N 2.273 122.704 120.570 -0.231 0.000 2.447 251 I HA 0.677 4.847 4.170 -0.000 0.000 0.287 251 I C -1.718 174.142 176.117 -0.428 0.000 1.023 251 I CA -0.858 60.274 61.300 -0.281 0.000 1.083 251 I CB 0.943 38.838 38.000 -0.175 0.000 1.245 251 I HN 0.533 nan 8.210 nan 0.000 0.434 252 F N 7.275 127.100 119.950 -0.208 0.000 2.458 252 F HA 0.533 5.060 4.527 -0.000 0.000 0.336 252 F C -0.789 174.945 175.800 -0.110 0.000 1.114 252 F CA -0.500 57.506 58.000 0.011 0.000 0.987 252 F CB 1.468 40.345 39.000 -0.205 0.000 1.130 252 F HN 0.213 nan 8.300 nan 0.000 0.458 253 F N 4.058 124.340 119.950 0.553 0.000 2.427 253 F HA 0.470 4.997 4.527 -0.000 0.000 0.348 253 F C -0.538 175.509 175.800 0.413 0.000 1.125 253 F CA -0.868 57.353 58.000 0.368 0.000 0.989 253 F CB 1.624 40.754 39.000 0.216 0.000 1.165 253 F HN 0.207 nan 8.300 nan 0.000 0.442 254 L N 7.554 129.002 121.223 0.374 0.000 2.335 254 L HA 0.563 4.903 4.340 -0.000 0.000 0.268 254 L C -2.451 174.528 176.870 0.181 0.000 1.037 254 L CA -2.359 52.563 54.840 0.137 0.000 0.895 254 L CB 0.398 42.140 42.059 -0.529 0.000 1.266 254 L HN 0.172 nan 8.230 nan 0.000 0.439 255 P HA 0.090 nan 4.420 nan 0.000 0.271 255 P C -0.630 176.756 177.300 0.143 0.000 1.216 255 P CA -0.175 63.029 63.100 0.174 0.000 0.776 255 P CB 0.692 32.497 31.700 0.175 0.000 0.881 256 D N 1.106 121.593 120.400 0.145 0.000 2.341 256 D HA -0.041 4.599 4.640 -0.000 0.000 0.235 256 D C 0.511 176.852 176.300 0.070 0.000 1.265 256 D CA 0.486 54.555 54.000 0.114 0.000 0.888 256 D CB 0.130 40.990 40.800 0.101 0.000 1.192 256 D HN 0.370 nan 8.370 nan 0.000 0.462 257 E N -0.662 119.558 120.200 0.034 0.000 2.417 257 E HA 0.331 4.680 4.350 -0.000 0.000 0.261 257 E C 0.943 177.556 176.600 0.022 0.000 1.000 257 E CA 0.850 57.260 56.400 0.017 0.000 0.919 257 E CB 0.017 29.712 29.700 -0.008 0.000 0.955 257 E HN 0.587 nan 8.360 nan 0.000 0.455 258 G N 4.464 113.284 108.800 0.034 0.000 2.143 258 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.249 258 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.249 258 G C 0.648 175.577 174.900 0.049 0.000 0.981 258 G CA 0.373 45.494 45.100 0.034 0.000 0.665 258 G HN 0.458 nan 8.290 nan 0.000 0.528 259 K N -0.558 119.885 120.400 0.073 0.000 2.413 259 K HA 0.354 4.674 4.320 -0.000 0.000 0.204 259 K C 2.008 178.702 176.600 0.156 0.000 1.041 259 K CA 0.063 56.417 56.287 0.112 0.000 1.082 259 K CB 0.301 32.858 32.500 0.095 0.000 0.871 259 K HN 0.376 nan 8.250 nan 0.000 0.535 260 L N 1.923 123.224 121.223 0.131 0.000 1.990 260 L HA -0.243 4.096 4.340 -0.000 0.000 0.213 260 L C 2.367 179.311 176.870 0.122 0.000 1.072 260 L CA 2.180 57.103 54.840 0.138 0.000 0.755 260 L CB -0.422 41.720 42.059 0.139 0.000 0.889 260 L HN 0.152 nan 8.230 nan 0.000 0.432 261 Q N -1.489 118.380 119.800 0.115 0.000 2.079 261 Q HA -0.256 4.083 4.340 -0.000 0.000 0.200 261 Q C 2.283 178.331 176.000 0.081 0.000 0.974 261 Q CA 1.931 57.792 55.803 0.097 0.000 0.840 261 Q CB -0.375 28.416 28.738 0.088 0.000 0.898 261 Q HN 0.754 nan 8.270 nan 0.000 0.430 262 H N 0.071 119.150 119.070 0.015 0.000 2.289 262 H HA -0.188 4.368 4.556 -0.000 0.000 0.294 262 H C 1.810 177.119 175.328 -0.032 0.000 1.095 262 H CA 2.191 58.235 56.048 -0.007 0.000 1.256 262 H CB -0.547 29.215 29.762 -0.001 0.000 1.359 262 H HN 0.359 nan 8.280 nan 0.000 0.487 263 L N 0.687 121.861 121.223 -0.082 0.000 2.012 263 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 263 L C 1.870 178.598 176.870 -0.237 0.000 1.073 263 L CA 2.387 57.123 54.840 -0.173 0.000 0.748 263 L CB -0.718 41.336 42.059 -0.009 0.000 0.891 263 L HN 0.560 nan 8.230 nan 0.000 0.431 264 E N -0.139 119.993 120.200 -0.113 0.000 2.077 264 E HA -0.233 4.117 4.350 -0.000 0.000 0.193 264 E C 1.823 178.322 176.600 -0.167 0.000 0.989 264 E CA 1.414 57.759 56.400 -0.092 0.000 0.800 264 E CB -0.117 29.653 29.700 0.117 0.000 0.746 264 E HN 0.567 nan 8.360 nan 0.000 0.452 265 N N 0.807 119.416 118.700 -0.151 0.000 2.166 265 N HA -0.134 4.606 4.740 -0.000 0.000 0.186 265 N C 1.388 176.734 175.510 -0.272 0.000 1.019 265 N CA 0.964 53.909 53.050 -0.174 0.000 0.856 265 N CB -0.018 38.398 38.487 -0.119 0.000 0.993 265 N HN 0.169 nan 8.380 nan 0.000 0.426 266 E N 0.137 120.117 120.200 -0.367 0.000 2.472 266 E HA 0.141 4.491 4.350 -0.000 0.000 0.196 266 E C 0.358 176.731 176.600 -0.378 0.000 1.033 266 E CA -0.220 55.958 56.400 -0.371 0.000 0.886 266 E CB 0.324 29.737 29.700 -0.478 0.000 0.944 266 E HN 0.341 nan 8.360 nan 0.000 0.492 267 L N 2.358 123.285 121.223 -0.492 0.000 2.499 267 L HA 0.039 4.379 4.340 -0.000 0.000 0.273 267 L C 0.646 177.081 176.870 -0.725 0.000 1.195 267 L CA 0.469 54.948 54.840 -0.602 0.000 0.882 267 L CB 0.315 41.921 42.059 -0.755 0.000 1.133 267 L HN 0.041 nan 8.230 nan 0.000 0.483 268 T N -2.245 112.074 114.554 -0.391 0.000 2.883 268 T HA 0.196 4.546 4.350 -0.000 0.000 0.296 268 T C 0.550 175.378 174.700 0.213 0.000 1.117 268 T CA -0.746 61.258 62.100 -0.159 0.000 1.006 268 T CB 1.548 70.371 68.868 -0.075 0.000 1.191 268 T HN 0.575 nan 8.240 nan 0.000 0.508 269 H N 0.574 119.831 119.070 0.311 0.000 2.387 269 H HA -0.030 4.525 4.556 -0.000 0.000 0.299 269 H C 1.275 176.632 175.328 0.048 0.000 1.090 269 H CA 2.236 58.384 56.048 0.168 0.000 1.332 269 H CB -0.226 29.551 29.762 0.025 0.000 1.386 269 H HN 0.657 nan 8.280 nan 0.000 0.516 270 D N -0.062 120.275 120.400 -0.105 0.000 2.178 270 D HA -0.113 4.527 4.640 -0.000 0.000 0.202 270 D C 2.380 178.601 176.300 -0.132 0.000 0.974 270 D CA 1.092 54.987 54.000 -0.175 0.000 0.841 270 D CB -0.183 40.568 40.800 -0.081 0.000 0.953 270 D HN 0.472 nan 8.370 nan 0.000 0.478 271 I N 0.782 121.313 120.570 -0.064 0.000 2.179 271 I HA -0.219 3.950 4.170 -0.000 0.000 0.242 271 I C 2.390 178.551 176.117 0.073 0.000 1.088 271 I CA 0.718 61.990 61.300 -0.047 0.000 1.357 271 I CB -0.058 37.944 38.000 0.003 0.000 1.051 271 I HN -0.032 nan 8.210 nan 0.000 0.409 272 I N 0.203 120.890 120.570 0.195 0.000 2.163 272 I HA -0.297 3.873 4.170 -0.000 0.000 0.243 272 I C 2.549 178.766 176.117 0.167 0.000 1.085 272 I CA 1.660 63.156 61.300 0.328 0.000 1.347 272 I CB -0.933 37.256 38.000 0.316 0.000 1.044 272 I HN 0.269 nan 8.210 nan 0.000 0.408 273 T N 0.811 115.328 114.554 -0.061 0.000 2.665 273 T HA -0.241 4.108 4.350 -0.000 0.000 0.268 273 T C 1.948 176.638 174.700 -0.018 0.000 1.035 273 T CA 1.513 63.560 62.100 -0.088 0.000 1.151 273 T CB -0.223 68.487 68.868 -0.264 0.000 0.862 273 T HN 0.298 nan 8.240 nan 0.000 0.438 274 K N -0.239 120.109 120.400 -0.086 0.000 2.103 274 K HA -0.059 4.260 4.320 -0.000 0.000 0.207 274 K C 1.986 178.514 176.600 -0.120 0.000 1.048 274 K CA 1.223 57.422 56.287 -0.147 0.000 0.930 274 K CB -0.254 32.072 32.500 -0.290 0.000 0.716 274 K HN 0.279 nan 8.250 nan 0.000 0.444 275 F N 0.933 120.915 119.950 0.052 0.000 2.146 275 F HA -0.097 4.430 4.527 -0.000 0.000 0.298 275 F C 1.943 177.774 175.800 0.052 0.000 1.096 275 F CA 0.985 59.021 58.000 0.060 0.000 1.275 275 F CB -0.455 38.594 39.000 0.082 0.000 1.008 275 F HN -0.087 nan 8.300 nan 0.000 0.480 276 L N -0.560 120.806 121.223 0.239 0.000 2.201 276 L HA -0.155 4.185 4.340 -0.000 0.000 0.212 276 L C 2.005 178.942 176.870 0.113 0.000 1.105 276 L CA 1.218 56.153 54.840 0.158 0.000 0.775 276 L CB -0.661 41.481 42.059 0.138 0.000 0.913 276 L HN 0.137 nan 8.230 nan 0.000 0.440 277 E N -0.373 119.881 120.200 0.090 0.000 2.285 277 E HA -0.066 4.284 4.350 -0.000 0.000 0.194 277 E C 0.817 177.452 176.600 0.058 0.000 0.997 277 E CA 0.036 56.472 56.400 0.060 0.000 0.845 277 E CB 0.103 29.825 29.700 0.036 0.000 0.782 277 E HN 0.319 nan 8.360 nan 0.000 0.491 278 N N 1.264 120.011 118.700 0.078 0.000 2.419 278 N HA 0.003 4.743 4.740 -0.000 0.000 0.264 278 N C -0.422 175.142 175.510 0.089 0.000 1.031 278 N CA 0.242 53.340 53.050 0.080 0.000 0.951 278 N CB 1.017 39.562 38.487 0.096 0.000 1.101 278 N HN 0.010 nan 8.380 nan 0.000 0.488 279 E N 1.319 121.557 120.200 0.063 0.000 2.558 279 E HA 0.110 4.460 4.350 -0.000 0.000 0.205 279 E C -0.905 175.721 176.600 0.043 0.000 1.006 279 E CA -0.458 55.973 56.400 0.051 0.000 0.961 279 E CB 0.488 30.207 29.700 0.032 0.000 1.044 279 E HN 0.568 nan 8.360 nan 0.000 0.465 280 D N 1.625 122.059 120.400 0.057 0.000 2.443 280 D HA 0.100 4.740 4.640 -0.000 0.000 0.239 280 D C 0.062 176.398 176.300 0.061 0.000 1.136 280 D CA 0.606 54.638 54.000 0.054 0.000 0.879 280 D CB 0.674 41.512 40.800 0.064 0.000 1.195 280 D HN -0.031 nan 8.370 nan 0.000 0.443 281 R N 1.329 121.856 120.500 0.046 0.000 2.670 281 R HA 0.541 4.881 4.340 -0.000 0.000 0.289 281 R C 0.009 176.346 176.300 0.061 0.000 0.965 281 R CA -0.924 55.203 56.100 0.045 0.000 0.899 281 R CB 2.400 32.694 30.300 -0.010 0.000 1.173 281 R HN 0.449 nan 8.270 nan 0.000 0.456 282 R N 0.092 120.651 120.500 0.098 0.000 2.854 282 R HA 0.429 4.769 4.340 -0.000 0.000 0.271 282 R C -0.681 175.692 176.300 0.122 0.000 0.994 282 R CA -0.813 55.349 56.100 0.103 0.000 0.945 282 R CB 1.675 32.049 30.300 0.123 0.000 1.194 282 R HN 0.439 nan 8.270 nan 0.000 0.476 283 S N 0.038 115.795 115.700 0.096 0.000 2.537 283 S HA 0.429 4.899 4.470 -0.000 0.000 0.286 283 S C -0.592 174.089 174.600 0.135 0.000 1.299 283 S CA 0.359 58.618 58.200 0.099 0.000 1.067 283 S CB -0.071 63.167 63.200 0.064 0.000 0.864 283 S HN 0.737 nan 8.310 nan 0.000 0.494 284 A N 3.823 126.754 122.820 0.186 0.000 2.577 284 A HA 0.576 4.896 4.320 -0.000 0.000 0.297 284 A C -0.556 177.104 177.584 0.126 0.000 1.060 284 A CA -0.610 51.496 52.037 0.116 0.000 0.697 284 A CB 1.466 20.497 19.000 0.052 0.000 1.281 284 A HN 0.666 nan 8.150 nan 0.000 0.402 285 S N 1.124 116.833 115.700 0.016 0.000 2.415 285 S HA 0.479 4.949 4.470 -0.000 0.000 0.313 285 S C -0.500 174.082 174.600 -0.030 0.000 1.067 285 S CA -0.342 57.881 58.200 0.039 0.000 1.099 285 S CB -0.583 62.650 63.200 0.054 0.000 0.991 285 S HN 1.077 nan 8.310 nan 0.000 0.491 286 L N 6.696 127.844 121.223 -0.125 0.000 2.289 286 L HA 0.507 4.846 4.340 -0.000 0.000 0.285 286 L C -0.617 176.281 176.870 0.048 0.000 1.049 286 L CA 0.058 54.748 54.840 -0.250 0.000 0.804 286 L CB 0.783 42.339 42.059 -0.839 0.000 1.195 286 L HN 0.639 nan 8.230 nan 0.000 0.428 287 H N 5.974 124.938 119.070 -0.176 0.000 2.551 287 H HA 0.491 5.047 4.556 -0.000 0.000 0.321 287 H C -1.298 173.921 175.328 -0.181 0.000 1.028 287 H CA -0.893 55.076 56.048 -0.132 0.000 1.215 287 H CB 1.984 31.697 29.762 -0.081 0.000 1.414 287 H HN 0.438 nan 8.280 nan 0.000 0.480 288 L N 6.763 127.842 121.223 -0.240 0.000 2.381 288 L HA 0.387 4.727 4.340 -0.000 0.000 0.274 288 L C -2.573 174.107 176.870 -0.317 0.000 0.988 288 L CA -2.206 52.385 54.840 -0.415 0.000 0.824 288 L CB 1.917 43.554 42.059 -0.703 0.000 1.263 288 L HN 0.403 nan 8.230 nan 0.000 0.410 289 P HA 0.080 nan 4.420 nan 0.000 0.271 289 P C -1.266 175.974 177.300 -0.100 0.000 1.218 289 P CA -0.364 62.718 63.100 -0.030 0.000 0.780 289 P CB 0.654 32.452 31.700 0.162 0.000 0.901 290 K N 4.100 124.435 120.400 -0.108 0.000 2.284 290 K HA 0.301 4.621 4.320 -0.000 0.000 0.287 290 K C -0.135 176.430 176.600 -0.059 0.000 1.081 290 K CA -0.398 55.833 56.287 -0.093 0.000 0.910 290 K CB -0.086 32.358 32.500 -0.095 0.000 1.088 290 K HN 0.455 nan 8.250 nan 0.000 0.478 291 L N -0.016 121.176 121.223 -0.052 0.000 2.359 291 L HA 0.612 4.952 4.340 -0.000 0.000 0.256 291 L C -1.080 175.738 176.870 -0.086 0.000 1.026 291 L CA -0.774 54.028 54.840 -0.064 0.000 0.828 291 L CB 1.668 43.692 42.059 -0.059 0.000 1.406 291 L HN 0.440 nan 8.230 nan 0.000 0.413 292 S N 1.757 117.408 115.700 -0.082 0.000 2.552 292 S HA 0.820 5.289 4.470 -0.000 0.000 0.314 292 S C -0.599 173.949 174.600 -0.088 0.000 1.099 292 S CA -0.605 57.544 58.200 -0.085 0.000 1.070 292 S CB 0.704 63.882 63.200 -0.038 0.000 0.998 292 S HN 0.645 nan 8.310 nan 0.000 0.474 293 I N 1.947 122.433 120.570 -0.141 0.000 2.828 293 I HA 0.875 5.045 4.170 -0.000 0.000 0.302 293 I C -0.542 175.541 176.117 -0.056 0.000 1.101 293 I CA -0.783 60.459 61.300 -0.096 0.000 1.031 293 I CB 2.518 40.470 38.000 -0.079 0.000 1.231 293 I HN 0.536 nan 8.210 nan 0.000 0.427 294 T N 0.423 115.024 114.554 0.079 0.000 2.933 294 T HA 0.774 5.124 4.350 -0.000 0.000 0.305 294 T C -0.413 174.422 174.700 0.225 0.000 1.092 294 T CA -0.635 61.579 62.100 0.190 0.000 1.008 294 T CB 1.533 70.466 68.868 0.109 0.000 1.102 294 T HN 1.113 nan 8.240 nan 0.000 0.469 295 G N 1.339 110.333 108.800 0.323 0.000 2.478 295 G HA2 0.577 4.536 3.960 -0.000 0.000 0.317 295 G HA3 0.577 4.536 3.960 -0.000 0.000 0.317 295 G C -0.699 174.105 174.900 -0.160 0.000 1.259 295 G CA -0.756 44.406 45.100 0.102 0.000 0.933 295 G HN 0.853 nan 8.290 nan 0.000 0.478 296 T N 2.101 116.366 114.554 -0.482 0.000 2.770 296 T HA 0.499 4.849 4.350 -0.000 0.000 0.283 296 T C -1.196 173.140 174.700 -0.606 0.000 0.988 296 T CA -0.076 61.819 62.100 -0.342 0.000 0.957 296 T CB 0.601 69.374 68.868 -0.159 0.000 0.930 296 T HN 0.389 nan 8.240 nan 0.000 0.443 297 Y N 0.992 121.373 120.300 0.135 0.000 2.425 297 Y HA 0.393 4.942 4.550 -0.000 0.000 0.344 297 Y C 0.112 176.068 175.900 0.094 0.000 0.969 297 Y CA -1.532 56.633 58.100 0.108 0.000 1.052 297 Y CB 1.299 39.834 38.460 0.125 0.000 1.215 297 Y HN 0.481 nan 8.280 nan 0.000 0.451 298 D N 3.455 123.962 120.400 0.178 0.000 2.393 298 D HA 0.145 4.785 4.640 -0.000 0.000 0.232 298 D C 0.580 176.912 176.300 0.053 0.000 1.192 298 D CA 0.248 54.301 54.000 0.089 0.000 0.882 298 D CB 0.789 41.600 40.800 0.019 0.000 1.038 298 D HN 0.693 nan 8.370 nan 0.000 0.499 299 L N 3.499 124.775 121.223 0.088 0.000 2.201 299 L HA -0.100 4.240 4.340 -0.000 0.000 0.212 299 L C 2.432 179.197 176.870 -0.176 0.000 1.105 299 L CA 0.670 55.524 54.840 0.024 0.000 0.775 299 L CB -0.195 41.971 42.059 0.178 0.000 0.913 299 L HN 0.389 nan 8.230 nan 0.000 0.440 300 K N 0.013 120.193 120.400 -0.367 0.000 2.026 300 K HA -0.215 4.105 4.320 -0.000 0.000 0.208 300 K C 2.409 178.652 176.600 -0.595 0.000 1.048 300 K CA 1.785 57.446 56.287 -1.044 0.000 0.929 300 K CB -0.088 31.907 32.500 -0.843 0.000 0.713 300 K HN 0.115 nan 8.250 nan 0.000 0.439 301 S N -0.060 115.458 115.700 -0.302 0.000 2.343 301 S HA -0.116 4.354 4.470 -0.000 0.000 0.219 301 S C 1.990 176.495 174.600 -0.157 0.000 1.033 301 S CA 1.531 59.621 58.200 -0.183 0.000 1.014 301 S CB -0.357 62.783 63.200 -0.100 0.000 0.915 301 S HN 0.228 nan 8.310 nan 0.000 0.435 302 V N 2.094 121.927 119.914 -0.134 0.000 2.295 302 V HA -0.094 4.025 4.120 -0.000 0.000 0.246 302 V C 2.446 178.447 176.094 -0.155 0.000 1.049 302 V CA 1.852 64.070 62.300 -0.136 0.000 1.024 302 V CB -0.672 31.064 31.823 -0.144 0.000 0.648 302 V HN 0.490 nan 8.190 nan 0.000 0.447 303 L N 0.231 121.357 121.223 -0.162 0.000 2.291 303 L HA -0.002 4.338 4.340 -0.000 0.000 0.214 303 L C 2.587 179.424 176.870 -0.054 0.000 1.120 303 L CA 1.206 55.975 54.840 -0.118 0.000 0.799 303 L CB -1.074 40.882 42.059 -0.172 0.000 0.925 303 L HN 0.484 nan 8.230 nan 0.000 0.446 304 G N -0.691 108.050 108.800 -0.098 0.000 2.442 304 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.219 304 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.219 304 G C 1.524 176.399 174.900 -0.040 0.000 1.141 304 G CA 0.254 45.321 45.100 -0.056 0.000 0.763 304 G HN 0.268 nan 8.290 nan 0.000 0.554 305 Q N -0.223 119.537 119.800 -0.066 0.000 2.224 305 Q HA 0.121 4.461 4.340 -0.000 0.000 0.203 305 Q C 2.509 178.478 176.000 -0.051 0.000 0.970 305 Q CA 0.561 56.330 55.803 -0.058 0.000 0.865 305 Q CB -0.096 28.599 28.738 -0.072 0.000 0.922 305 Q HN 0.505 nan 8.270 nan 0.000 0.445 306 L N -0.958 120.235 121.223 -0.049 0.000 2.591 306 L HA 0.116 4.456 4.340 -0.000 0.000 0.228 306 L C 0.998 177.869 176.870 0.001 0.000 1.133 306 L CA 0.534 55.358 54.840 -0.026 0.000 0.880 306 L CB 0.020 42.074 42.059 -0.010 0.000 1.033 306 L HN 0.313 nan 8.230 nan 0.000 0.450 307 G N 0.709 109.513 108.800 0.006 0.000 2.148 307 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.203 307 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.203 307 G C 0.107 175.036 174.900 0.049 0.000 0.993 307 G CA -0.540 44.574 45.100 0.023 0.000 0.661 307 G HN 0.249 nan 8.290 nan 0.000 0.518 308 I N 2.630 123.243 120.570 0.073 0.000 2.310 308 I HA 0.351 4.521 4.170 -0.000 0.000 0.287 308 I C 1.499 177.778 176.117 0.270 0.000 1.073 308 I CA 0.369 61.751 61.300 0.137 0.000 1.216 308 I CB 0.952 39.026 38.000 0.123 0.000 1.415 308 I HN 0.274 nan 8.210 nan 0.000 0.480 309 T N 0.354 115.033 114.554 0.209 0.000 3.028 309 T HA 0.088 4.438 4.350 -0.000 0.000 0.250 309 T C 1.670 176.502 174.700 0.219 0.000 0.979 309 T CA -0.150 62.100 62.100 0.251 0.000 1.004 309 T CB 0.112 69.054 68.868 0.124 0.000 1.120 309 T HN 0.330 nan 8.240 nan 0.000 0.482 310 K N 0.838 121.304 120.400 0.110 0.000 2.032 310 K HA -0.020 4.299 4.320 -0.000 0.000 0.209 310 K C 2.166 178.775 176.600 0.016 0.000 1.048 310 K CA 1.473 57.795 56.287 0.059 0.000 0.927 310 K CB -0.656 31.864 32.500 0.033 0.000 0.712 310 K HN 0.191 nan 8.250 nan 0.000 0.441 311 V N 0.671 120.538 119.914 -0.079 0.000 2.828 311 V HA -0.194 3.925 4.120 -0.000 0.000 0.260 311 V C 1.003 176.917 176.094 -0.301 0.000 1.101 311 V CA 1.598 63.760 62.300 -0.231 0.000 1.123 311 V CB -0.383 31.219 31.823 -0.368 0.000 0.704 311 V HN 0.264 nan 8.190 nan 0.000 0.493 312 F N 0.058 120.031 119.950 0.038 0.000 2.695 312 F HA 0.310 4.836 4.527 -0.000 0.000 0.303 312 F C 1.285 177.095 175.800 0.017 0.000 1.091 312 F CA 0.383 58.397 58.000 0.023 0.000 1.300 312 F CB -0.119 38.896 39.000 0.025 0.000 1.071 312 F HN 0.263 nan 8.300 nan 0.000 0.578 313 S N -1.100 114.693 115.700 0.154 0.000 2.726 313 S HA 0.327 4.797 4.470 -0.000 0.000 0.308 313 S C 0.847 175.484 174.600 0.061 0.000 1.115 313 S CA -0.764 57.497 58.200 0.102 0.000 0.965 313 S CB 1.157 64.409 63.200 0.088 0.000 1.145 313 S HN 0.004 nan 8.310 nan 0.000 0.532 314 N N 0.836 119.564 118.700 0.047 0.000 2.364 314 N HA 0.008 4.748 4.740 -0.000 0.000 0.183 314 N C 1.713 177.237 175.510 0.023 0.000 1.022 314 N CA 1.386 54.455 53.050 0.032 0.000 0.883 314 N CB -0.910 37.592 38.487 0.026 0.000 0.965 314 N HN 0.853 nan 8.380 nan 0.000 0.438 315 G N 0.318 109.133 108.800 0.024 0.000 2.484 315 G HA2 0.028 3.988 3.960 -0.000 0.000 0.218 315 G HA3 0.028 3.988 3.960 -0.000 0.000 0.218 315 G C 0.481 175.386 174.900 0.010 0.000 1.130 315 G CA 0.421 45.531 45.100 0.017 0.000 0.784 315 G HN 0.453 nan 8.290 nan 0.000 0.543 316 A N 0.934 123.761 122.820 0.010 0.000 2.600 316 A HA 0.149 4.469 4.320 -0.000 0.000 0.244 316 A C 0.148 177.723 177.584 -0.016 0.000 1.016 316 A CA 0.347 52.380 52.037 -0.006 0.000 0.778 316 A CB 0.068 19.061 19.000 -0.011 0.000 0.920 316 A HN 0.182 nan 8.150 nan 0.000 0.513 317 D N 2.916 123.304 120.400 -0.020 0.000 2.494 317 D HA 0.314 4.954 4.640 -0.000 0.000 0.217 317 D C -0.042 176.225 176.300 -0.056 0.000 1.153 317 D CA 0.061 54.042 54.000 -0.032 0.000 0.954 317 D CB -0.005 40.783 40.800 -0.021 0.000 1.034 317 D HN 0.450 nan 8.370 nan 0.000 0.518 318 L N 2.530 123.706 121.223 -0.079 0.000 3.034 318 L HA 0.068 4.408 4.340 -0.000 0.000 0.245 318 L C 1.808 178.566 176.870 -0.186 0.000 1.295 318 L CA -0.122 54.635 54.840 -0.137 0.000 1.068 318 L CB 0.114 42.100 42.059 -0.121 0.000 1.426 318 L HN 0.253 nan 8.230 nan 0.000 0.531 319 S N -2.139 113.479 115.700 -0.138 0.000 2.515 319 S HA -0.050 4.420 4.470 -0.000 0.000 0.231 319 S C 1.848 176.357 174.600 -0.152 0.000 0.987 319 S CA 0.638 58.761 58.200 -0.128 0.000 0.936 319 S CB -0.118 63.031 63.200 -0.085 0.000 0.766 319 S HN 0.467 nan 8.310 nan 0.000 0.528 320 G N 0.752 109.438 108.800 -0.190 0.000 2.712 320 G HA2 0.144 4.104 3.960 -0.000 0.000 0.212 320 G HA3 0.144 4.104 3.960 -0.000 0.000 0.212 320 G C 1.120 175.806 174.900 -0.355 0.000 1.142 320 G CA 0.604 45.586 45.100 -0.197 0.000 0.789 320 G HN 0.482 nan 8.290 nan 0.000 0.535 321 V N -0.713 118.886 119.914 -0.526 0.000 2.581 321 V HA 0.227 4.347 4.120 -0.000 0.000 0.240 321 V C 1.068 176.950 176.094 -0.353 0.000 1.054 321 V CA 1.463 63.338 62.300 -0.709 0.000 1.076 321 V CB 0.719 31.971 31.823 -0.951 0.000 0.748 321 V HN 0.242 nan 8.190 nan 0.000 0.474 322 T N -0.923 113.467 114.554 -0.274 0.000 2.928 322 T HA 0.317 4.666 4.350 -0.000 0.000 0.296 322 T C 0.395 175.018 174.700 -0.128 0.000 1.000 322 T CA -0.416 61.582 62.100 -0.171 0.000 0.989 322 T CB 2.029 70.804 68.868 -0.155 0.000 1.005 322 T HN 0.334 nan 8.240 nan 0.000 0.442 323 E N 2.111 122.255 120.200 -0.094 0.000 2.072 323 E HA -0.049 4.301 4.350 -0.000 0.000 0.190 323 E C 1.433 177.998 176.600 -0.059 0.000 0.982 323 E CA 0.944 57.301 56.400 -0.073 0.000 0.803 323 E CB 0.344 30.010 29.700 -0.057 0.000 0.755 323 E HN 0.604 nan 8.360 nan 0.000 0.453 324 E N -0.125 120.044 120.200 -0.052 0.000 2.290 324 E HA 0.152 4.502 4.350 -0.000 0.000 0.197 324 E C 0.353 176.931 176.600 -0.036 0.000 0.948 324 E CA 0.120 56.497 56.400 -0.039 0.000 0.895 324 E CB 0.490 30.172 29.700 -0.031 0.000 0.865 324 E HN 0.049 nan 8.360 nan 0.000 0.486 325 A N 3.062 125.857 122.820 -0.042 0.000 2.327 325 A HA 0.474 4.794 4.320 -0.000 0.000 0.283 325 A C -2.341 175.220 177.584 -0.038 0.000 1.127 325 A CA -1.299 50.718 52.037 -0.034 0.000 0.810 325 A CB -0.007 18.975 19.000 -0.031 0.000 1.066 325 A HN -0.152 nan 8.150 nan 0.000 0.492 326 P HA 0.409 nan 4.420 nan 0.000 0.271 326 P C -1.037 176.252 177.300 -0.018 0.000 1.220 326 P CA 0.052 63.141 63.100 -0.019 0.000 0.768 326 P CB 0.551 32.247 31.700 -0.006 0.000 0.848 327 L N 3.235 124.445 121.223 -0.021 0.000 2.455 327 L HA 0.595 4.935 4.340 -0.000 0.000 0.264 327 L C -0.643 176.251 176.870 0.040 0.000 0.968 327 L CA -0.480 54.357 54.840 -0.005 0.000 0.827 327 L CB 1.733 43.746 42.059 -0.076 0.000 1.317 327 L HN 0.399 nan 8.230 nan 0.000 0.407 328 K N 3.210 123.668 120.400 0.097 0.000 2.395 328 K HA 0.662 4.982 4.320 -0.000 0.000 0.245 328 K C -1.475 175.244 176.600 0.199 0.000 1.017 328 K CA -1.034 55.322 56.287 0.115 0.000 0.852 328 K CB 1.836 34.382 32.500 0.076 0.000 1.311 328 K HN 0.428 nan 8.250 nan 0.000 0.452 329 L N 2.390 123.644 121.223 0.052 0.000 2.295 329 L HA 0.216 4.556 4.340 -0.000 0.000 0.288 329 L C 0.325 177.243 176.870 0.080 0.000 1.079 329 L CA 0.575 55.331 54.840 -0.141 0.000 0.830 329 L CB 0.693 42.464 42.059 -0.479 0.000 1.200 329 L HN 0.855 nan 8.230 nan 0.000 0.438 330 S N 3.283 119.002 115.700 0.032 0.000 2.406 330 S HA 0.085 4.555 4.470 -0.000 0.000 0.224 330 S C 0.527 175.156 174.600 0.050 0.000 1.030 330 S CA 0.682 58.904 58.200 0.038 0.000 0.958 330 S CB 0.035 63.203 63.200 -0.053 0.000 0.811 330 S HN 0.579 nan 8.310 nan 0.000 0.489 331 K N 0.366 120.785 120.400 0.032 0.000 2.513 331 K HA 0.625 4.945 4.320 -0.000 0.000 0.251 331 K C -2.068 174.599 176.600 0.111 0.000 0.939 331 K CA -0.428 55.893 56.287 0.057 0.000 0.793 331 K CB 1.897 34.409 32.500 0.021 0.000 1.241 331 K HN 0.140 nan 8.250 nan 0.000 0.431 332 A N 3.169 126.100 122.820 0.185 0.000 2.375 332 A HA 0.638 4.958 4.320 -0.000 0.000 0.295 332 A C -1.496 176.238 177.584 0.249 0.000 1.066 332 A CA -0.616 51.583 52.037 0.270 0.000 0.722 332 A CB 1.444 20.756 19.000 0.521 0.000 1.206 332 A HN 0.337 nan 8.150 nan 0.000 0.435 333 V N 2.449 122.526 119.914 0.272 0.000 2.656 333 V HA 0.449 4.569 4.120 -0.000 0.000 0.307 333 V C -0.755 175.564 176.094 0.375 0.000 1.051 333 V CA -0.544 61.920 62.300 0.273 0.000 0.893 333 V CB 1.862 33.809 31.823 0.207 0.000 0.999 333 V HN 1.002 nan 8.190 nan 0.000 0.426 334 H N 3.453 122.695 119.070 0.286 0.000 2.481 334 H HA 0.698 5.254 4.556 -0.000 0.000 0.333 334 H C -0.615 174.908 175.328 0.324 0.000 1.066 334 H CA -0.635 55.611 56.048 0.330 0.000 1.209 334 H CB 1.458 31.436 29.762 0.359 0.000 1.445 334 H HN 0.609 nan 8.280 nan 0.000 0.488 335 K N 3.687 124.030 120.400 -0.094 0.000 2.413 335 K HA 0.726 5.046 4.320 -0.000 0.000 0.257 335 K C -1.770 174.753 176.600 -0.130 0.000 0.946 335 K CA -0.591 55.653 56.287 -0.071 0.000 0.823 335 K CB 1.132 33.686 32.500 0.089 0.000 1.109 335 K HN 0.640 nan 8.250 nan 0.000 0.427 336 A N 3.559 126.366 122.820 -0.021 0.000 2.330 336 A HA 0.698 5.018 4.320 -0.000 0.000 0.313 336 A C -1.255 176.626 177.584 0.494 0.000 1.124 336 A CA -0.695 51.485 52.037 0.238 0.000 0.774 336 A CB 1.207 20.314 19.000 0.178 0.000 1.198 336 A HN 0.438 nan 8.150 nan 0.000 0.465 337 V N 2.809 123.031 119.914 0.513 0.000 2.540 337 V HA 0.666 4.786 4.120 -0.000 0.000 0.302 337 V C -0.748 175.460 176.094 0.189 0.000 1.035 337 V CA -0.539 61.996 62.300 0.393 0.000 0.873 337 V CB 1.426 33.543 31.823 0.490 0.000 0.992 337 V HN 0.884 nan 8.190 nan 0.000 0.428 338 L N 3.903 125.002 121.223 -0.206 0.000 2.410 338 L HA 0.822 5.162 4.340 -0.000 0.000 0.270 338 L C -0.288 176.374 176.870 -0.347 0.000 0.983 338 L CA 0.338 54.880 54.840 -0.496 0.000 0.822 338 L CB 2.546 43.931 42.059 -1.123 0.000 1.285 338 L HN 0.707 nan 8.230 nan 0.000 0.409 339 T N 6.079 120.406 114.554 -0.377 0.000 2.779 339 T HA 0.600 4.950 4.350 -0.000 0.000 0.280 339 T C -0.368 174.152 174.700 -0.300 0.000 0.987 339 T CA -0.283 61.660 62.100 -0.262 0.000 0.966 339 T CB 0.971 69.731 68.868 -0.179 0.000 0.933 339 T HN 0.342 nan 8.240 nan 0.000 0.442 340 I N 5.039 125.507 120.570 -0.170 0.000 2.339 340 I HA 0.447 4.616 4.170 -0.000 0.000 0.290 340 I C -0.130 175.976 176.117 -0.017 0.000 0.994 340 I CA -0.681 60.587 61.300 -0.054 0.000 1.191 340 I CB 1.166 39.207 38.000 0.069 0.000 1.343 340 I HN 0.747 nan 8.210 nan 0.000 0.458 341 D N 4.026 124.444 120.400 0.030 0.000 2.867 341 D HA 0.258 4.897 4.640 -0.000 0.000 0.308 341 D C 0.463 176.909 176.300 0.243 0.000 1.202 341 D CA -0.467 53.568 54.000 0.058 0.000 1.035 341 D CB 0.710 41.511 40.800 0.001 0.000 1.427 341 D HN 0.199 nan 8.370 nan 0.000 0.570 342 E N -0.480 119.833 120.200 0.187 0.000 2.077 342 E HA -0.003 4.347 4.350 -0.000 0.000 0.193 342 E C 0.151 177.061 176.600 0.518 0.000 0.989 342 E CA 1.301 57.915 56.400 0.356 0.000 0.800 342 E CB 0.075 29.900 29.700 0.208 0.000 0.746 342 E HN 0.338 nan 8.360 nan 0.000 0.452 343 K N -1.541 119.031 120.400 0.287 0.000 2.578 343 K HA 0.178 4.498 4.320 -0.000 0.000 0.263 343 K C -0.165 176.467 176.600 0.052 0.000 0.973 343 K CA 0.031 56.442 56.287 0.206 0.000 0.909 343 K CB 1.274 33.913 32.500 0.233 0.000 1.326 343 K HN 0.142 nan 8.250 nan 0.000 0.440 344 G N 1.926 110.690 108.800 -0.060 0.000 2.916 344 G HA2 0.001 3.961 3.960 -0.000 0.000 0.205 344 G HA3 0.001 3.961 3.960 -0.000 0.000 0.205 344 G C -0.159 174.708 174.900 -0.055 0.000 1.163 344 G CA 0.739 45.774 45.100 -0.110 0.000 0.821 344 G HN 0.448 nan 8.290 nan 0.000 0.515 345 T N -0.842 113.708 114.554 -0.007 0.000 2.956 345 T HA 0.347 4.697 4.350 -0.000 0.000 0.312 345 T C -0.451 174.267 174.700 0.030 0.000 1.151 345 T CA -0.639 61.468 62.100 0.011 0.000 1.024 345 T CB 2.374 71.251 68.868 0.015 0.000 1.140 345 T HN 0.111 nan 8.240 nan 0.000 0.473 346 E N 1.086 121.301 120.200 0.026 0.000 2.511 346 E HA 0.507 4.857 4.350 -0.000 0.000 0.214 346 E C -0.367 176.250 176.600 0.028 0.000 1.062 346 E CA -0.350 56.068 56.400 0.029 0.000 1.213 346 E CB 0.534 30.248 29.700 0.023 0.000 1.214 346 E HN 0.610 nan 8.360 nan 0.000 0.441 347 A N 0.962 123.801 122.820 0.032 0.000 2.499 347 A HA 0.745 5.065 4.320 -0.000 0.000 0.280 347 A C -0.499 177.109 177.584 0.039 0.000 1.135 347 A CA -0.497 51.558 52.037 0.031 0.000 0.744 347 A CB 0.898 19.914 19.000 0.026 0.000 1.213 347 A HN 0.255 nan 8.150 nan 0.000 0.434 348 A N 1.058 123.901 122.820 0.039 0.000 2.468 348 A HA 0.986 5.306 4.320 -0.000 0.000 0.277 348 A C 0.842 178.452 177.584 0.044 0.000 1.203 348 A CA -0.022 52.044 52.037 0.050 0.000 0.932 348 A CB 1.023 20.056 19.000 0.055 0.000 1.438 348 A HN 2.071 nan 8.150 nan 0.000 0.468 349 G N -2.372 106.459 108.800 0.053 0.000 4.094 349 G HA2 0.470 4.430 3.960 -0.000 0.000 0.177 349 G HA3 0.470 4.430 3.960 -0.000 0.000 0.177 349 G C 0.420 175.356 174.900 0.060 0.000 1.135 349 G CA 0.834 45.962 45.100 0.047 0.000 0.922 349 G HN 1.607 nan 8.290 nan 0.000 0.533 350 A N 1.282 124.154 122.820 0.086 0.000 2.354 350 A HA 0.764 5.084 4.320 -0.000 0.000 0.281 350 A C -0.240 177.448 177.584 0.173 0.000 1.174 350 A CA 0.248 52.359 52.037 0.123 0.000 0.828 350 A CB 0.236 19.315 19.000 0.132 0.000 1.099 350 A HN 0.441 nan 8.150 nan 0.000 0.516 351 M N 4.020 123.709 119.600 0.148 0.000 2.326 351 M HA 0.733 5.213 4.480 -0.000 0.000 0.306 351 M C -1.354 175.031 176.300 0.141 0.000 1.054 351 M CA -0.640 54.704 55.300 0.074 0.000 0.922 351 M CB 1.207 33.803 32.600 -0.005 0.000 1.632 351 M HN 0.789 nan 8.290 nan 0.000 0.436 352 F N 2.781 122.718 119.950 -0.022 0.000 2.726 352 F HA 0.866 5.393 4.527 -0.000 0.000 0.324 352 F C -2.300 173.474 175.800 -0.043 0.000 1.140 352 F CA -1.171 56.810 58.000 -0.031 0.000 0.964 352 F CB 1.460 40.438 39.000 -0.037 0.000 1.399 352 F HN 0.404 nan 8.300 nan 0.000 0.491 353 L N 1.497 122.815 121.223 0.158 0.000 2.596 353 L HA 0.341 4.681 4.340 -0.000 0.000 0.265 353 L C -1.304 175.627 176.870 0.102 0.000 0.962 353 L CA -0.430 54.423 54.840 0.021 0.000 0.891 353 L CB 2.122 44.173 42.059 -0.013 0.000 1.248 353 L HN 0.700 nan 8.230 nan 0.000 0.410 354 E N 2.641 122.886 120.200 0.075 0.000 2.259 354 E HA 0.504 4.854 4.350 -0.000 0.000 0.281 354 E C -0.249 176.342 176.600 -0.015 0.000 1.027 354 E CA -0.568 55.849 56.400 0.027 0.000 0.838 354 E CB 1.874 31.563 29.700 -0.019 0.000 1.066 354 E HN 0.560 nan 8.360 nan 0.000 0.401 355 A N 4.090 126.901 122.820 -0.014 0.000 2.310 355 A HA 0.285 4.605 4.320 -0.000 0.000 0.300 355 A C -0.351 177.221 177.584 -0.020 0.000 1.269 355 A CA -0.462 51.566 52.037 -0.016 0.000 0.909 355 A CB -0.276 18.719 19.000 -0.008 0.000 1.144 355 A HN 0.482 nan 8.150 nan 0.000 0.540 356 I N 5.564 126.121 120.570 -0.020 0.000 2.325 356 I HA 0.274 4.444 4.170 -0.000 0.000 0.291 356 I C -1.323 174.792 176.117 -0.003 0.000 1.019 356 I CA -1.264 60.028 61.300 -0.013 0.000 1.302 356 I CB 0.905 38.898 38.000 -0.012 0.000 1.401 356 I HN 0.555 nan 8.210 nan 0.000 0.485 357 P HA 0.109 nan 4.420 nan 0.000 0.272 357 P C 0.564 177.869 177.300 0.010 0.000 1.254 357 P CA -0.398 62.707 63.100 0.008 0.000 0.795 357 P CB 0.653 32.361 31.700 0.013 0.000 1.022 358 M N -0.623 118.983 119.600 0.009 0.000 2.349 358 M HA -0.025 4.455 4.480 -0.000 0.000 0.266 358 M C 1.067 177.374 176.300 0.012 0.000 1.076 358 M CA 0.758 56.064 55.300 0.009 0.000 1.126 358 M CB -1.267 31.337 32.600 0.007 0.000 1.392 358 M HN 0.474 nan 8.290 nan 0.000 0.440 359 S N 1.292 117.001 115.700 0.016 0.000 2.559 359 S HA 0.080 4.549 4.470 -0.000 0.000 0.282 359 S C 0.446 175.059 174.600 0.021 0.000 1.336 359 S CA -0.458 57.753 58.200 0.019 0.000 1.037 359 S CB 0.529 63.743 63.200 0.024 0.000 0.853 359 S HN 0.220 nan 8.310 nan 0.000 0.523 360 I N 3.161 123.744 120.570 0.021 0.000 2.533 360 I HA 0.211 4.381 4.170 -0.000 0.000 0.284 360 I C -1.901 174.232 176.117 0.027 0.000 1.109 360 I CA -1.847 59.465 61.300 0.020 0.000 1.412 360 I CB -0.410 37.600 38.000 0.016 0.000 1.396 360 I HN 0.546 nan 8.210 nan 0.000 0.543 361 P HA 0.313 nan 4.420 nan 0.000 0.285 361 P C -2.447 174.863 177.300 0.017 0.000 1.259 361 P CA -1.379 61.742 63.100 0.034 0.000 0.794 361 P CB -0.127 31.598 31.700 0.042 0.000 0.940 362 P HA 0.048 nan 4.420 nan 0.000 0.265 362 P C -0.354 176.891 177.300 -0.092 0.000 1.193 362 P CA 0.264 63.352 63.100 -0.019 0.000 0.765 362 P CB 0.601 32.310 31.700 0.015 0.000 0.823 363 E N 1.986 122.111 120.200 -0.126 0.000 2.130 363 E HA 0.318 4.668 4.350 -0.000 0.000 0.284 363 E C -1.052 175.342 176.600 -0.343 0.000 1.018 363 E CA -0.644 55.638 56.400 -0.196 0.000 0.817 363 E CB 0.519 30.112 29.700 -0.178 0.000 1.078 363 E HN 0.117 nan 8.360 nan 0.000 0.396 364 V N 5.759 125.411 119.914 -0.438 0.000 2.378 364 V HA 0.323 4.442 4.120 -0.000 0.000 0.288 364 V C -0.415 175.425 176.094 -0.423 0.000 1.016 364 V CA -0.805 61.109 62.300 -0.644 0.000 0.840 364 V CB 1.390 32.594 31.823 -1.031 0.000 0.994 364 V HN 0.612 nan 8.190 nan 0.000 0.431 365 K N 4.561 124.710 120.400 -0.419 0.000 2.307 365 K HA 0.521 4.840 4.320 -0.000 0.000 0.263 365 K C -0.980 175.490 176.600 -0.217 0.000 0.973 365 K CA -0.478 55.664 56.287 -0.241 0.000 0.846 365 K CB 1.530 33.851 32.500 -0.299 0.000 1.100 365 K HN 0.460 nan 8.250 nan 0.000 0.438 366 F N 3.611 123.421 119.950 -0.235 0.000 2.640 366 F HA 0.061 4.587 4.527 -0.001 0.000 0.354 366 F C 0.957 176.755 175.800 -0.004 0.000 1.213 366 F CA -0.536 57.332 58.000 -0.220 0.000 1.314 366 F CB -0.328 38.331 39.000 -0.569 0.000 1.679 366 F HN 0.491 nan 8.300 nan 0.000 0.622 367 N N 1.106 119.795 118.700 -0.019 0.000 2.338 367 N HA 0.095 4.835 4.740 -0.000 0.000 0.251 367 N C -0.434 174.670 175.510 -0.676 0.000 1.199 367 N CA -0.318 52.650 53.050 -0.138 0.000 0.879 367 N CB 0.193 38.702 38.487 0.036 0.000 1.159 367 N HN 0.509 nan 8.380 nan 0.000 0.514 368 K N -1.881 118.107 120.400 -0.687 0.000 2.533 368 K HA 0.592 4.912 4.320 -0.000 0.000 0.284 368 K C -3.372 173.192 176.600 -0.061 0.000 1.025 368 K CA -1.874 54.029 56.287 -0.639 0.000 0.900 368 K CB 0.655 33.027 32.500 -0.214 0.000 1.519 368 K HN -0.299 nan 8.250 nan 0.000 0.432 369 P HA 0.012 nan 4.420 nan 0.000 0.264 369 P C -1.217 176.337 177.300 0.423 0.000 1.183 369 P CA 0.255 63.563 63.100 0.346 0.000 0.763 369 P CB -0.038 31.812 31.700 0.250 0.000 0.807 370 F N 0.876 121.084 119.950 0.430 0.000 2.645 370 F HA 0.729 5.256 4.527 -0.000 0.000 0.310 370 F C -1.579 174.542 175.800 0.536 0.000 1.102 370 F CA -1.471 56.810 58.000 0.468 0.000 0.952 370 F CB 0.734 40.082 39.000 0.580 0.000 1.326 370 F HN -0.021 nan 8.300 nan 0.000 0.456 371 V N 2.523 122.892 119.914 0.759 0.000 2.667 371 V HA 0.721 4.841 4.120 -0.000 0.000 0.308 371 V C -0.664 175.910 176.094 0.801 0.000 1.048 371 V CA -0.727 61.908 62.300 0.558 0.000 0.928 371 V CB 1.568 33.555 31.823 0.274 0.000 1.004 371 V HN 0.851 nan 8.190 nan 0.000 0.444 372 F N 2.764 122.985 119.950 0.450 0.000 2.626 372 F HA 0.944 5.471 4.527 -0.000 0.000 0.311 372 F C -1.614 174.306 175.800 0.200 0.000 1.088 372 F CA -1.348 56.829 58.000 0.295 0.000 0.949 372 F CB 1.550 40.641 39.000 0.152 0.000 1.322 372 F HN 0.265 nan 8.300 nan 0.000 0.461 373 L N 2.237 123.643 121.223 0.305 0.000 2.409 373 L HA 0.648 4.988 4.340 -0.000 0.000 0.262 373 L C -1.062 175.977 176.870 0.282 0.000 0.992 373 L CA -0.692 54.278 54.840 0.218 0.000 0.817 373 L CB 2.293 44.451 42.059 0.166 0.000 1.350 373 L HN 0.711 nan 8.230 nan 0.000 0.411 374 M N 3.936 123.725 119.600 0.315 0.000 2.167 374 M HA 0.544 5.024 4.480 -0.000 0.000 0.333 374 M C -1.081 175.286 176.300 0.111 0.000 1.030 374 M CA -0.099 55.376 55.300 0.293 0.000 0.963 374 M CB 1.458 34.341 32.600 0.471 0.000 1.589 374 M HN 0.157 nan 8.290 nan 0.000 0.431 375 I N 2.516 123.152 120.570 0.111 0.000 2.389 375 I HA 0.319 4.489 4.170 -0.000 0.000 0.288 375 I C 0.240 176.389 176.117 0.053 0.000 0.999 375 I CA -0.704 60.632 61.300 0.059 0.000 1.129 375 I CB 1.290 39.349 38.000 0.099 0.000 1.288 375 I HN 0.604 nan 8.210 nan 0.000 0.444 376 E N 5.448 125.646 120.200 -0.004 0.000 2.366 376 E HA 0.026 4.376 4.350 -0.000 0.000 0.266 376 E C 0.638 177.266 176.600 0.046 0.000 1.015 376 E CA 0.278 56.680 56.400 0.003 0.000 0.906 376 E CB 0.985 30.660 29.700 -0.042 0.000 0.979 376 E HN 0.527 nan 8.360 nan 0.000 0.443 377 Q N 3.011 122.848 119.800 0.063 0.000 2.167 377 Q HA -0.125 4.215 4.340 -0.000 0.000 0.202 377 Q C 1.167 177.208 176.000 0.069 0.000 0.970 377 Q CA 1.151 56.999 55.803 0.075 0.000 0.855 377 Q CB 0.203 28.987 28.738 0.077 0.000 0.911 377 Q HN 0.476 nan 8.270 nan 0.000 0.438 378 N N -0.498 118.233 118.700 0.053 0.000 2.333 378 N HA -0.080 4.660 4.740 -0.000 0.000 0.178 378 N C 1.728 177.273 175.510 0.059 0.000 1.018 378 N CA 1.775 54.853 53.050 0.047 0.000 0.882 378 N CB -0.053 38.452 38.487 0.030 0.000 0.984 378 N HN 0.352 nan 8.380 nan 0.000 0.434 379 T N -2.423 112.168 114.554 0.062 0.000 2.990 379 T HA 0.187 4.537 4.350 -0.000 0.000 0.249 379 T C 0.521 175.298 174.700 0.129 0.000 1.039 379 T CA -0.074 62.072 62.100 0.077 0.000 1.036 379 T CB 0.432 69.314 68.868 0.024 0.000 0.994 379 T HN -0.135 nan 8.240 nan 0.000 0.489 380 K N 0.971 121.441 120.400 0.117 0.000 3.230 380 K HA -0.107 4.213 4.320 -0.000 0.000 0.285 380 K C -0.277 176.360 176.600 0.063 0.000 1.196 380 K CA 0.424 56.795 56.287 0.140 0.000 0.838 380 K CB -2.594 30.062 32.500 0.259 0.000 1.262 380 K HN 0.531 nan 8.250 nan 0.000 0.492 381 S N 1.950 117.648 115.700 -0.003 0.000 2.565 381 S HA 0.246 4.716 4.470 -0.000 0.000 0.276 381 S C -1.986 172.557 174.600 -0.095 0.000 1.326 381 S CA -0.895 57.259 58.200 -0.077 0.000 1.045 381 S CB 1.040 64.189 63.200 -0.085 0.000 0.918 381 S HN 0.039 nan 8.310 nan 0.000 0.505 382 P HA 0.178 nan 4.420 nan 0.000 0.268 382 P C 0.468 177.622 177.300 -0.243 0.000 1.541 382 P CA -0.140 62.862 63.100 -0.163 0.000 1.093 382 P CB 0.077 31.648 31.700 -0.215 0.000 1.551 383 L N 1.965 122.994 121.223 -0.324 0.000 2.042 383 L HA -0.075 4.264 4.340 -0.000 0.000 0.210 383 L C 0.573 176.842 176.870 -1.002 0.000 1.076 383 L CA 1.761 56.191 54.840 -0.683 0.000 0.749 383 L CB -0.443 41.096 42.059 -0.867 0.000 0.893 383 L HN 0.193 nan 8.230 nan 0.000 0.432 384 F N -1.957 117.893 119.950 -0.167 0.000 2.613 384 F HA 0.576 5.103 4.527 -0.000 0.000 0.310 384 F C -0.144 175.435 175.800 -0.369 0.000 1.085 384 F CA -0.775 57.053 58.000 -0.286 0.000 0.945 384 F CB 1.737 40.743 39.000 0.010 0.000 1.298 384 F HN -0.301 nan 8.300 nan 0.000 0.455 385 M N 1.030 120.299 119.600 -0.552 0.000 2.550 385 M HA 0.862 5.342 4.480 -0.000 0.000 0.292 385 M C -0.929 174.987 176.300 -0.639 0.000 1.221 385 M CA -0.132 54.807 55.300 -0.602 0.000 0.873 385 M CB 2.678 34.912 32.600 -0.610 0.000 1.727 385 M HN 0.818 nan 8.290 nan 0.000 0.459 386 G N 2.123 110.477 108.800 -0.743 0.000 2.559 386 G HA2 0.512 4.471 3.960 -0.000 0.000 0.291 386 G HA3 0.512 4.471 3.960 -0.000 0.000 0.291 386 G C -2.518 172.236 174.900 -0.243 0.000 1.424 386 G CA -0.734 44.071 45.100 -0.492 0.000 0.786 386 G HN 0.772 nan 8.290 nan 0.000 0.485 387 K N -0.207 120.301 120.400 0.179 0.000 2.501 387 K HA 0.645 4.964 4.320 -0.000 0.000 0.252 387 K C -1.529 175.181 176.600 0.182 0.000 0.934 387 K CA -0.649 55.785 56.287 0.244 0.000 0.797 387 K CB 2.616 35.307 32.500 0.317 0.000 1.270 387 K HN 0.361 nan 8.250 nan 0.000 0.431 388 V N 5.380 125.262 119.914 -0.053 0.000 2.347 388 V HA 0.160 4.279 4.120 -0.000 0.000 0.280 388 V C 0.827 176.907 176.094 -0.024 0.000 1.021 388 V CA -0.441 61.764 62.300 -0.159 0.000 0.847 388 V CB 1.163 32.673 31.823 -0.522 0.000 0.990 388 V HN 0.761 nan 8.190 nan 0.000 0.444 389 V N 1.319 121.265 119.914 0.052 0.000 3.379 389 V HA 0.479 4.599 4.120 -0.000 0.000 0.249 389 V C 0.531 176.726 176.094 0.168 0.000 1.184 389 V CA 0.546 62.946 62.300 0.166 0.000 1.106 389 V CB 0.298 32.197 31.823 0.126 0.000 0.826 389 V HN 0.746 nan 8.190 nan 0.000 0.465 390 N N 0.470 119.120 118.700 -0.084 0.000 3.049 390 N HA 0.345 5.085 4.740 -0.000 0.000 0.241 390 N C -2.821 172.503 175.510 -0.310 0.000 1.323 390 N CA -0.990 51.929 53.050 -0.219 0.000 0.824 390 N CB 1.797 40.262 38.487 -0.037 0.000 1.557 390 N HN -0.066 nan 8.380 nan 0.000 0.612 391 P HA -0.057 nan 4.420 nan 0.000 0.226 391 P C 1.024 178.211 177.300 -0.188 0.000 1.146 391 P CA 1.316 64.213 63.100 -0.338 0.000 0.773 391 P CB 0.269 31.727 31.700 -0.402 0.000 0.772 392 T N -5.512 108.945 114.554 -0.162 0.000 3.022 392 T HA 0.025 4.375 4.350 -0.000 0.000 0.250 392 T C 0.950 175.613 174.700 -0.062 0.000 1.060 392 T CA -0.182 61.864 62.100 -0.090 0.000 1.013 392 T CB -0.589 68.240 68.868 -0.066 0.000 0.982 392 T HN -0.075 nan 8.240 nan 0.000 0.508 393 Q N 1.936 121.696 119.800 -0.065 0.000 2.244 393 Q HA 0.197 4.537 4.340 -0.000 0.000 0.276 393 Q C -0.739 175.244 176.000 -0.029 0.000 1.122 393 Q CA 0.870 56.652 55.803 -0.035 0.000 0.920 393 Q CB 0.231 28.955 28.738 -0.023 0.000 1.186 393 Q HN 0.577 nan 8.270 nan 0.000 0.393 394 K N 0.000 120.387 120.400 -0.022 0.000 2.780 394 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 394 K CA 0.000 56.276 56.287 -0.018 0.000 0.838 394 K CB 0.000 32.486 32.500 -0.023 0.000 1.064 394 K HN 0.000 nan 8.250 nan 0.000 0.543