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 3e62_1_A DATA FIRST_RESID 839 DATA SEQUENCE RDPTQFEERH LKFLQQLGKG NFGSVEMCRY DPLQDNTGEV VAVKKLQHST DATA SEQUENCE EEHLRDFERE IEILKSLQHD NIVKYKGVCY SAGRRNLKLI MEYLPYGSLR DATA SEQUENCE DYLQKHKERI DHIKLLQYTS QICKGMEYLG TKRYIHRDLA TRNILVENEN DATA SEQUENCE RVKIGDFGLT KVLPQDKEXX KVKEPGESPI FWYAPESLTE SKFSVASDVW DATA SEQUENCE SFGVVLYELF TYIEKSKSPP AEFMRMIGND KQGQMIVFHL IELLKNNGRL DATA SEQUENCE PRPDGCPDEI YMIMTECWNN NVNQRPSFRD LALRVDQIRD NMA 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 839 R HA 0.000 nan 4.340 nan 0.000 0.208 839 R C 0.000 176.283 176.300 -0.029 0.000 0.893 839 R CA 0.000 56.092 56.100 -0.013 0.000 0.921 839 R CB 0.000 30.293 30.300 -0.011 0.000 0.687 840 D N 2.972 123.349 120.400 -0.037 0.000 2.316 840 D HA 0.354 4.994 4.640 0.001 0.000 0.245 840 D C -1.498 174.717 176.300 -0.141 0.000 1.171 840 D CA -1.879 52.089 54.000 -0.054 0.000 0.856 840 D CB 2.036 42.824 40.800 -0.020 0.000 1.090 840 D HN 0.292 nan 8.370 nan 0.000 0.476 841 P HA -0.064 nan 4.420 nan 0.000 0.221 841 P C 1.098 178.158 177.300 -0.401 0.000 1.150 841 P CA 1.005 63.936 63.100 -0.280 0.000 0.800 841 P CB 0.162 31.786 31.700 -0.127 0.000 0.787 842 T N -4.923 109.543 114.554 -0.147 0.000 3.129 842 T HA 0.063 4.413 4.350 0.001 0.000 0.251 842 T C 0.729 175.458 174.700 0.048 0.000 1.117 842 T CA 0.118 62.226 62.100 0.014 0.000 1.034 842 T CB -0.426 68.520 68.868 0.129 0.000 0.968 842 T HN -0.067 nan 8.240 nan 0.000 0.526 843 Q N 1.317 121.051 119.800 -0.111 0.000 2.400 843 Q HA 0.437 4.777 4.340 0.001 0.000 0.255 843 Q C -1.494 174.401 176.000 -0.175 0.000 1.008 843 Q CA -0.379 55.420 55.803 -0.006 0.000 0.841 843 Q CB 0.804 29.567 28.738 0.041 0.000 1.220 843 Q HN 0.446 nan 8.270 nan 0.000 0.474 844 F N 0.708 120.594 119.950 -0.106 0.000 2.415 844 F HA 0.351 4.879 4.527 0.001 0.000 0.348 844 F C 1.103 176.934 175.800 0.053 0.000 1.119 844 F CA -0.738 57.137 58.000 -0.208 0.000 1.069 844 F CB 1.140 39.874 39.000 -0.444 0.000 1.124 844 F HN 0.418 nan 8.300 nan 0.000 0.472 845 E N 1.375 121.817 120.200 0.404 0.000 2.223 845 E HA 0.446 4.797 4.350 0.001 0.000 0.282 845 E C 0.851 177.616 176.600 0.275 0.000 1.046 845 E CA 0.225 56.789 56.400 0.273 0.000 0.857 845 E CB 0.451 30.239 29.700 0.147 0.000 1.055 845 E HN 0.855 nan 8.360 nan 0.000 0.409 846 E N 1.527 121.820 120.200 0.155 0.000 2.160 846 E HA -0.183 4.168 4.350 0.001 0.000 0.195 846 E C 2.326 178.974 176.600 0.080 0.000 0.991 846 E CA 2.095 58.573 56.400 0.129 0.000 0.810 846 E CB -1.005 28.744 29.700 0.083 0.000 0.742 846 E HN 0.860 nan 8.360 nan 0.000 0.466 847 R N 0.516 120.995 120.500 -0.034 0.000 2.127 847 R HA -0.143 4.198 4.340 0.001 0.000 0.238 847 R C 2.163 178.422 176.300 -0.069 0.000 1.134 847 R CA 1.808 57.843 56.100 -0.109 0.000 0.975 847 R CB -1.236 28.921 30.300 -0.238 0.000 0.865 847 R HN 0.765 nan 8.270 nan 0.000 0.447 848 H N -0.545 118.571 119.070 0.078 0.000 2.548 848 H HA 0.286 4.843 4.556 0.001 0.000 0.265 848 H C 0.029 175.365 175.328 0.013 0.000 0.969 848 H CA -0.122 55.897 56.048 -0.049 0.000 1.155 848 H CB -0.092 29.483 29.762 -0.311 0.000 1.394 848 H HN 0.265 nan 8.280 nan 0.000 0.570 849 L N 2.105 123.480 121.223 0.254 0.000 2.315 849 L HA 0.155 4.495 4.340 0.001 0.000 0.283 849 L C 0.293 177.250 176.870 0.145 0.000 1.089 849 L CA -0.041 54.941 54.840 0.237 0.000 0.833 849 L CB 0.729 42.925 42.059 0.229 0.000 1.170 849 L HN -0.157 nan 8.230 nan 0.000 0.442 850 K N 4.253 124.721 120.400 0.112 0.000 2.234 850 K HA 0.263 4.583 4.320 0.001 0.000 0.277 850 K C -0.487 176.172 176.600 0.098 0.000 1.038 850 K CA -0.645 55.700 56.287 0.096 0.000 0.888 850 K CB 1.444 33.976 32.500 0.052 0.000 1.091 850 K HN 0.257 nan 8.250 nan 0.000 0.467 851 F N 4.016 123.966 119.950 -0.001 0.000 2.578 851 F HA -0.024 4.503 4.527 0.000 0.000 0.376 851 F C 0.356 176.140 175.800 -0.027 0.000 1.085 851 F CA 0.347 58.337 58.000 -0.016 0.000 1.260 851 F CB 0.398 39.391 39.000 -0.013 0.000 1.095 851 F HN 0.486 nan 8.300 nan 0.000 0.573 852 L N 3.308 124.002 121.223 -0.881 0.000 2.588 852 L HA 0.236 4.576 4.340 0.001 0.000 0.194 852 L C -0.319 175.974 176.870 -0.962 0.000 1.070 852 L CA -0.015 54.415 54.840 -0.684 0.000 0.852 852 L CB 0.014 41.828 42.059 -0.408 0.000 1.199 852 L HN 0.714 nan 8.230 nan 0.000 0.486 853 Q N -1.618 117.509 119.800 -1.120 0.000 2.687 853 Q HA 0.569 4.909 4.340 0.001 0.000 0.295 853 Q C -1.068 174.716 176.000 -0.360 0.000 0.920 853 Q CA -0.821 54.574 55.803 -0.679 0.000 0.766 853 Q CB 1.369 29.945 28.738 -0.269 0.000 1.467 853 Q HN -0.028 nan 8.270 nan 0.000 0.415 854 Q N 1.102 120.921 119.800 0.032 0.000 2.259 854 Q HA 0.534 4.875 4.340 0.001 0.000 0.249 854 Q C -0.079 175.954 176.000 0.057 0.000 0.914 854 Q CA -0.169 55.713 55.803 0.132 0.000 0.904 854 Q CB 0.623 29.471 28.738 0.183 0.000 1.213 854 Q HN 0.682 nan 8.270 nan 0.000 0.428 855 L N 0.412 121.673 121.223 0.063 0.000 2.609 855 L HA 0.573 4.913 4.340 0.001 0.000 0.230 855 L C 1.019 177.923 176.870 0.057 0.000 1.064 855 L CA 0.601 55.483 54.840 0.069 0.000 0.873 855 L CB 1.148 43.265 42.059 0.096 0.000 1.139 855 L HN 0.922 nan 8.230 nan 0.000 0.490 856 G N 0.127 108.956 108.800 0.049 0.000 2.377 856 G HA2 0.276 4.236 3.960 0.001 0.000 0.297 856 G HA3 0.276 4.236 3.960 0.001 0.000 0.297 856 G C -1.757 173.154 174.900 0.018 0.000 1.547 856 G CA -0.678 44.441 45.100 0.031 0.000 0.833 856 G HN -0.171 nan 8.290 nan 0.000 0.583 857 K N 0.017 120.420 120.400 0.006 0.000 2.578 857 K HA 0.619 4.939 4.320 0.001 0.000 0.250 857 K C -0.496 176.092 176.600 -0.021 0.000 0.955 857 K CA -0.721 55.561 56.287 -0.008 0.000 0.825 857 K CB 2.333 34.832 32.500 -0.001 0.000 1.151 857 K HN 0.868 nan 8.250 nan 0.000 0.432 858 G N 1.033 109.811 108.800 -0.038 0.000 2.666 858 G HA2 0.474 4.434 3.960 0.001 0.000 0.303 858 G HA3 0.474 4.434 3.960 0.001 0.000 0.303 858 G C 0.413 175.271 174.900 -0.070 0.000 1.412 858 G CA 0.462 45.531 45.100 -0.052 0.000 0.979 858 G HN 0.807 nan 8.290 nan 0.000 0.507 859 N N -0.835 117.824 118.700 -0.068 0.000 3.013 859 N HA -0.180 4.561 4.740 0.001 0.000 0.183 859 N C 2.069 177.523 175.510 -0.095 0.000 0.363 859 N CA 3.573 56.573 53.050 -0.083 0.000 1.873 859 N CB -1.464 36.961 38.487 -0.104 0.000 1.363 859 N HN 2.007 nan 8.380 nan 0.000 0.392 860 F N 0.405 120.267 119.950 -0.147 0.000 2.637 860 F HA 0.735 5.263 4.527 0.001 0.000 0.284 860 F C 2.025 177.721 175.800 -0.174 0.000 1.105 860 F CA 1.401 59.292 58.000 -0.183 0.000 1.356 860 F CB -0.289 38.481 39.000 -0.384 0.000 1.096 860 F HN 1.346 nan 8.300 nan 0.000 0.616 861 G N 0.695 109.373 108.800 -0.204 0.000 2.437 861 G HA2 0.484 4.444 3.960 0.001 0.000 0.319 861 G HA3 0.484 4.444 3.960 0.001 0.000 0.319 861 G C -0.198 174.629 174.900 -0.122 0.000 1.158 861 G CA 0.335 45.296 45.100 -0.233 0.000 0.899 861 G HN 1.033 nan 8.290 nan 0.000 0.502 862 S N -0.720 114.919 115.700 -0.102 0.000 2.503 862 S HA 0.716 5.187 4.470 0.001 0.000 0.301 862 S C -0.779 173.814 174.600 -0.011 0.000 1.087 862 S CA -0.713 57.464 58.200 -0.039 0.000 1.042 862 S CB 2.053 65.237 63.200 -0.026 0.000 1.043 862 S HN 0.564 nan 8.310 nan 0.000 0.489 863 V N 2.454 122.381 119.914 0.021 0.000 2.495 863 V HA 0.561 4.682 4.120 0.001 0.000 0.298 863 V C -0.322 175.810 176.094 0.064 0.000 1.031 863 V CA -0.561 61.765 62.300 0.043 0.000 0.871 863 V CB 1.376 33.228 31.823 0.049 0.000 0.988 863 V HN 1.002 nan 8.190 nan 0.000 0.432 864 E N 3.380 123.620 120.200 0.065 0.000 2.238 864 E HA 0.481 4.831 4.350 0.001 0.000 0.267 864 E C -0.793 175.784 176.600 -0.039 0.000 0.887 864 E CA -0.838 55.600 56.400 0.064 0.000 0.769 864 E CB 2.746 32.567 29.700 0.201 0.000 1.187 864 E HN 0.647 nan 8.360 nan 0.000 0.416 865 M N 2.944 122.445 119.600 -0.164 0.000 2.146 865 M HA 0.285 4.766 4.480 0.001 0.000 0.352 865 M C -1.403 174.708 176.300 -0.315 0.000 1.343 865 M CA 0.004 55.119 55.300 -0.310 0.000 1.115 865 M CB 0.031 32.345 32.600 -0.477 0.000 1.657 865 M HN 0.584 nan 8.290 nan 0.000 0.471 866 C N 4.193 123.363 119.300 -0.218 0.000 2.802 866 C HA 0.591 5.052 4.460 0.001 0.000 0.307 866 C C -0.237 174.705 174.990 -0.081 0.000 1.222 866 C CA -1.003 57.943 59.018 -0.121 0.000 1.580 866 C CB 2.214 29.945 27.740 -0.014 0.000 2.119 866 C HN 0.911 nan 8.230 nan 0.000 0.479 867 R N 1.089 121.573 120.500 -0.028 0.000 2.294 867 R HA 0.341 4.681 4.340 0.001 0.000 0.319 867 R C -1.505 174.872 176.300 0.127 0.000 0.984 867 R CA -0.349 55.767 56.100 0.026 0.000 0.861 867 R CB 0.579 30.873 30.300 -0.009 0.000 1.104 867 R HN 0.808 nan 8.270 nan 0.000 0.451 868 Y N 3.897 124.232 120.300 0.058 0.000 2.556 868 Y HA 0.142 4.692 4.550 0.001 0.000 0.352 868 Y C -0.853 175.101 175.900 0.091 0.000 1.006 868 Y CA -0.446 57.736 58.100 0.137 0.000 1.277 868 Y CB 0.576 39.200 38.460 0.274 0.000 1.136 868 Y HN 0.590 nan 8.280 nan 0.000 0.523 869 D N 8.371 128.604 120.400 -0.278 0.000 2.502 869 D HA 0.295 4.935 4.640 0.001 0.000 0.301 869 D C -1.948 174.112 176.300 -0.400 0.000 1.202 869 D CA -1.971 51.881 54.000 -0.246 0.000 0.878 869 D CB 0.992 41.733 40.800 -0.097 0.000 1.062 869 D HN 0.294 nan 8.370 nan 0.000 0.499 870 P HA -0.075 nan 4.420 nan 0.000 0.221 870 P C 1.332 178.309 177.300 -0.539 0.000 1.150 870 P CA 0.530 63.055 63.100 -0.959 0.000 0.800 870 P CB 0.447 31.646 31.700 -0.836 0.000 0.787 871 L N -2.002 119.039 121.223 -0.304 0.000 2.492 871 L HA 0.056 4.396 4.340 0.001 0.000 0.223 871 L C 1.356 178.151 176.870 -0.124 0.000 1.132 871 L CA 0.768 55.503 54.840 -0.175 0.000 0.850 871 L CB -1.581 40.408 42.059 -0.117 0.000 0.966 871 L HN 0.003 nan 8.230 nan 0.000 0.454 872 Q N 1.606 121.328 119.800 -0.130 0.000 2.453 872 Q HA -0.216 4.124 4.340 0.001 0.000 0.350 872 Q C 0.278 176.250 176.000 -0.046 0.000 1.447 872 Q CA 1.181 56.943 55.803 -0.068 0.000 0.968 872 Q CB -2.781 25.935 28.738 -0.036 0.000 1.175 872 Q HN 0.818 nan 8.270 nan 0.000 0.354 873 D N -1.792 118.580 120.400 -0.047 0.000 2.640 873 D HA 0.180 4.821 4.640 0.001 0.000 0.282 873 D C 0.210 176.494 176.300 -0.026 0.000 1.558 873 D CA 0.204 54.185 54.000 -0.032 0.000 0.820 873 D CB -0.361 40.419 40.800 -0.033 0.000 1.243 873 D HN 0.567 nan 8.370 nan 0.000 0.456 874 N N 0.114 118.797 118.700 -0.028 0.000 2.741 874 N HA -0.174 4.566 4.740 0.001 0.000 0.251 874 N C 0.790 176.290 175.510 -0.018 0.000 1.112 874 N CA 1.778 54.816 53.050 -0.021 0.000 0.750 874 N CB -2.095 36.383 38.487 -0.015 0.000 1.119 874 N HN 0.642 nan 8.380 nan 0.000 0.561 875 T N -4.298 110.243 114.554 -0.022 0.000 3.054 875 T HA 0.368 4.719 4.350 0.001 0.000 0.255 875 T C 1.096 175.794 174.700 -0.002 0.000 1.035 875 T CA 0.225 62.318 62.100 -0.011 0.000 0.941 875 T CB 0.399 69.259 68.868 -0.013 0.000 1.026 875 T HN 0.359 nan 8.240 nan 0.000 0.533 876 G N 0.797 109.592 108.800 -0.008 0.000 2.651 876 G HA2 0.369 4.329 3.960 0.001 0.000 0.260 876 G HA3 0.369 4.329 3.960 0.001 0.000 0.260 876 G C -0.571 174.368 174.900 0.064 0.000 1.216 876 G CA -0.699 44.414 45.100 0.022 0.000 0.913 876 G HN 0.527 nan 8.290 nan 0.000 0.535 877 E N -0.920 119.355 120.200 0.125 0.000 2.360 877 E HA 0.227 4.578 4.350 0.001 0.000 0.269 877 E C -0.254 176.410 176.600 0.108 0.000 1.022 877 E CA -0.487 55.988 56.400 0.125 0.000 0.887 877 E CB 0.777 30.574 29.700 0.162 0.000 0.990 877 E HN 0.079 nan 8.360 nan 0.000 0.426 878 V N 5.782 125.729 119.914 0.056 0.000 2.488 878 V HA 0.198 4.318 4.120 0.001 0.000 0.277 878 V C 0.221 176.321 176.094 0.010 0.000 1.046 878 V CA -0.217 62.071 62.300 -0.019 0.000 0.986 878 V CB 0.745 32.509 31.823 -0.098 0.000 0.989 878 V HN 0.527 nan 8.190 nan 0.000 0.475 879 V N 2.384 122.272 119.914 -0.043 0.000 3.102 879 V HA 1.009 5.130 4.120 0.001 0.000 0.312 879 V C -0.056 176.003 176.094 -0.058 0.000 1.135 879 V CA -1.101 61.179 62.300 -0.034 0.000 1.022 879 V CB 1.911 33.646 31.823 -0.146 0.000 1.056 879 V HN 0.947 nan 8.190 nan 0.000 0.436 880 A N 1.638 124.465 122.820 0.011 0.000 2.301 880 A HA 0.816 5.137 4.320 0.001 0.000 0.312 880 A C -0.490 177.067 177.584 -0.044 0.000 1.182 880 A CA -0.580 51.474 52.037 0.027 0.000 0.826 880 A CB 1.067 20.142 19.000 0.125 0.000 1.134 880 A HN 1.374 nan 8.150 nan 0.000 0.501 881 V N 3.258 123.155 119.914 -0.029 0.000 2.407 881 V HA 0.341 4.461 4.120 0.001 0.000 0.291 881 V C 0.066 176.178 176.094 0.030 0.000 1.018 881 V CA -0.635 61.646 62.300 -0.032 0.000 0.842 881 V CB 1.362 33.164 31.823 -0.036 0.000 0.996 881 V HN 0.935 nan 8.190 nan 0.000 0.426 882 K N 5.789 126.233 120.400 0.073 0.000 2.211 882 K HA 0.612 4.933 4.320 0.001 0.000 0.275 882 K C -0.251 176.440 176.600 0.151 0.000 1.024 882 K CA -0.584 55.773 56.287 0.117 0.000 0.887 882 K CB 0.934 33.549 32.500 0.191 0.000 1.084 882 K HN 0.833 nan 8.250 nan 0.000 0.463 883 K N 3.391 123.784 120.400 -0.012 0.000 2.433 883 K HA 0.435 4.756 4.320 0.001 0.000 0.252 883 K C -1.027 175.389 176.600 -0.307 0.000 1.015 883 K CA -1.026 55.207 56.287 -0.089 0.000 0.860 883 K CB 1.105 33.596 32.500 -0.014 0.000 1.359 883 K HN 0.336 nan 8.250 nan 0.000 0.452 884 L N 2.351 123.377 121.223 -0.327 0.000 2.312 884 L HA 0.159 4.499 4.340 0.001 0.000 0.281 884 L C 1.347 178.135 176.870 -0.136 0.000 1.070 884 L CA -0.743 53.925 54.840 -0.287 0.000 0.805 884 L CB 1.446 43.367 42.059 -0.230 0.000 1.174 884 L HN 0.709 nan 8.230 nan 0.000 0.434 885 Q N 0.922 120.665 119.800 -0.095 0.000 2.083 885 Q HA -0.057 4.283 4.340 0.001 0.000 0.198 885 Q C 0.012 175.861 176.000 -0.253 0.000 0.969 885 Q CA 1.449 57.182 55.803 -0.116 0.000 0.838 885 Q CB 0.084 28.811 28.738 -0.019 0.000 0.900 885 Q HN 0.559 nan 8.270 nan 0.000 0.436 886 H N -0.402 118.684 119.070 0.027 0.000 2.786 886 H HA 0.203 4.759 4.556 0.001 0.000 0.284 886 H C -0.529 174.841 175.328 0.071 0.000 1.104 886 H CA -0.310 55.763 56.048 0.041 0.000 1.339 886 H CB 0.773 30.559 29.762 0.040 0.000 1.427 886 H HN -0.019 nan 8.280 nan 0.000 0.497 887 S N 1.688 117.436 115.700 0.080 0.000 4.120 887 S HA 0.081 4.551 4.470 0.001 0.000 0.196 887 S C 0.756 175.393 174.600 0.060 0.000 1.447 887 S CA -0.810 57.438 58.200 0.081 0.000 0.939 887 S CB -0.850 62.380 63.200 0.050 0.000 1.496 887 S HN 0.643 nan 8.310 nan 0.000 0.460 888 T N -0.976 113.590 114.554 0.020 0.000 2.788 888 T HA 0.303 4.654 4.350 0.001 0.000 0.287 888 T C 1.074 175.781 174.700 0.011 0.000 1.007 888 T CA -0.617 61.458 62.100 -0.042 0.000 1.005 888 T CB 0.603 69.351 68.868 -0.199 0.000 1.012 888 T HN 0.414 nan 8.240 nan 0.000 0.530 889 E N 0.243 120.445 120.200 0.003 0.000 2.048 889 E HA -0.265 4.085 4.350 0.001 0.000 0.202 889 E C 2.041 178.673 176.600 0.053 0.000 1.021 889 E CA 1.983 58.400 56.400 0.030 0.000 0.825 889 E CB -0.120 29.588 29.700 0.014 0.000 0.756 889 E HN 0.883 nan 8.360 nan 0.000 0.454 890 E N -0.241 119.979 120.200 0.035 0.000 2.072 890 E HA -0.189 4.161 4.350 0.001 0.000 0.191 890 E C 1.971 178.682 176.600 0.185 0.000 0.985 890 E CA 0.925 57.374 56.400 0.081 0.000 0.801 890 E CB -0.031 29.703 29.700 0.057 0.000 0.750 890 E HN 0.456 nan 8.360 nan 0.000 0.452 891 H N 0.111 119.204 119.070 0.038 0.000 2.353 891 H HA -0.105 4.451 4.556 0.001 0.000 0.300 891 H C 2.431 177.815 175.328 0.093 0.000 1.090 891 H CA 0.994 57.068 56.048 0.043 0.000 1.327 891 H CB 0.109 29.882 29.762 0.019 0.000 1.383 891 H HN 0.182 nan 8.280 nan 0.000 0.508 892 L N 0.286 121.650 121.223 0.235 0.000 2.042 892 L HA -0.216 4.124 4.340 0.001 0.000 0.210 892 L C 2.789 179.770 176.870 0.185 0.000 1.076 892 L CA 1.101 56.074 54.840 0.221 0.000 0.749 892 L CB -0.301 41.855 42.059 0.161 0.000 0.893 892 L HN 0.212 nan 8.230 nan 0.000 0.432 893 R N -0.072 120.510 120.500 0.136 0.000 2.073 893 R HA -0.180 4.161 4.340 0.001 0.000 0.234 893 R C 1.951 178.306 176.300 0.090 0.000 1.134 893 R CA 1.862 58.019 56.100 0.095 0.000 0.952 893 R CB -0.107 30.237 30.300 0.073 0.000 0.850 893 R HN 0.315 nan 8.270 nan 0.000 0.433 894 D N -0.310 120.156 120.400 0.110 0.000 2.117 894 D HA -0.175 4.466 4.640 0.001 0.000 0.197 894 D C 1.532 177.913 176.300 0.136 0.000 0.987 894 D CA 0.891 54.943 54.000 0.087 0.000 0.829 894 D CB -0.256 40.581 40.800 0.063 0.000 0.961 894 D HN 0.122 nan 8.370 nan 0.000 0.460 895 F N 1.764 121.709 119.950 -0.009 0.000 2.134 895 F HA -0.112 4.416 4.527 0.000 0.000 0.299 895 F C 2.257 178.048 175.800 -0.015 0.000 1.097 895 F CA 1.257 59.247 58.000 -0.016 0.000 1.264 895 F CB -0.334 38.665 39.000 -0.001 0.000 1.001 895 F HN -0.055 nan 8.300 nan 0.000 0.479 896 E N -0.247 119.938 120.200 -0.024 0.000 2.110 896 E HA -0.203 4.148 4.350 0.001 0.000 0.193 896 E C 2.385 178.916 176.600 -0.116 0.000 0.988 896 E CA 1.078 57.402 56.400 -0.126 0.000 0.804 896 E CB -0.038 29.645 29.700 -0.029 0.000 0.745 896 E HN 0.366 nan 8.360 nan 0.000 0.458 897 R N 0.244 120.707 120.500 -0.061 0.000 2.092 897 R HA -0.138 4.202 4.340 0.001 0.000 0.231 897 R C 2.406 178.630 176.300 -0.127 0.000 1.119 897 R CA 1.360 57.411 56.100 -0.081 0.000 0.970 897 R CB -0.259 30.011 30.300 -0.050 0.000 0.864 897 R HN 0.322 nan 8.270 nan 0.000 0.440 898 E N 1.357 121.502 120.200 -0.092 0.000 2.077 898 E HA -0.186 4.165 4.350 0.001 0.000 0.193 898 E C 1.957 178.464 176.600 -0.155 0.000 0.989 898 E CA 1.060 57.411 56.400 -0.082 0.000 0.800 898 E CB -0.032 29.713 29.700 0.076 0.000 0.746 898 E HN 0.281 nan 8.360 nan 0.000 0.452 899 I N 1.249 121.677 120.570 -0.238 0.000 2.226 899 I HA -0.249 3.922 4.170 0.001 0.000 0.245 899 I C 2.451 178.413 176.117 -0.257 0.000 1.100 899 I CA 1.070 62.220 61.300 -0.250 0.000 1.374 899 I CB -0.284 37.512 38.000 -0.340 0.000 1.057 899 I HN 0.133 nan 8.210 nan 0.000 0.413 900 E N 0.769 120.831 120.200 -0.230 0.000 2.110 900 E HA -0.169 4.181 4.350 0.001 0.000 0.193 900 E C 2.284 178.740 176.600 -0.240 0.000 0.988 900 E CA 1.187 57.454 56.400 -0.220 0.000 0.804 900 E CB -0.198 29.416 29.700 -0.143 0.000 0.745 900 E HN 0.536 nan 8.360 nan 0.000 0.458 901 I N 0.664 121.060 120.570 -0.291 0.000 2.127 901 I HA -0.295 3.875 4.170 0.001 0.000 0.241 901 I C 2.518 178.406 176.117 -0.381 0.000 1.075 901 I CA 0.791 61.825 61.300 -0.445 0.000 1.334 901 I CB -0.224 37.403 38.000 -0.621 0.000 1.040 901 I HN 0.092 nan 8.210 nan 0.000 0.405 902 L N 1.074 122.080 121.223 -0.361 0.000 2.046 902 L HA -0.233 4.107 4.340 0.001 0.000 0.208 902 L C 2.447 179.168 176.870 -0.248 0.000 1.077 902 L CA 1.896 56.538 54.840 -0.329 0.000 0.747 902 L CB -0.658 41.319 42.059 -0.136 0.000 0.896 902 L HN 0.099 nan 8.230 nan 0.000 0.432 903 K N -0.830 119.320 120.400 -0.417 0.000 2.152 903 K HA -0.165 4.155 4.320 0.001 0.000 0.206 903 K C 2.003 178.439 176.600 -0.273 0.000 1.048 903 K CA 1.473 57.374 56.287 -0.643 0.000 0.933 903 K CB -0.171 31.721 32.500 -1.014 0.000 0.721 903 K HN 0.585 nan 8.250 nan 0.000 0.447 904 S N -0.075 115.529 115.700 -0.160 0.000 2.561 904 S HA 0.054 4.525 4.470 0.001 0.000 0.225 904 S C 0.574 175.211 174.600 0.061 0.000 0.977 904 S CA -0.173 58.011 58.200 -0.028 0.000 0.926 904 S CB -0.189 63.040 63.200 0.048 0.000 0.769 904 S HN 0.155 nan 8.310 nan 0.000 0.533 905 L N 1.742 123.000 121.223 0.057 0.000 2.282 905 L HA 0.555 4.895 4.340 0.001 0.000 0.288 905 L C -0.717 176.257 176.870 0.173 0.000 1.033 905 L CA -0.508 54.462 54.840 0.216 0.000 0.807 905 L CB 1.449 43.586 42.059 0.129 0.000 1.209 905 L HN 0.087 nan 8.230 nan 0.000 0.423 906 Q N 3.409 123.334 119.800 0.209 0.000 2.490 906 Q HA 0.458 4.799 4.340 0.001 0.000 0.255 906 Q C -1.121 174.750 176.000 -0.216 0.000 0.997 906 Q CA -0.272 55.546 55.803 0.025 0.000 0.709 906 Q CB 1.458 30.221 28.738 0.043 0.000 1.255 906 Q HN 0.403 nan 8.270 nan 0.000 0.486 907 H N 1.143 120.011 119.070 -0.336 0.000 3.046 907 H HA 0.166 4.722 4.556 0.001 0.000 0.363 907 H C -0.365 174.839 175.328 -0.208 0.000 1.203 907 H CA -0.414 55.354 56.048 -0.467 0.000 1.169 907 H CB 1.946 31.230 29.762 -0.796 0.000 1.851 907 H HN 0.451 nan 8.280 nan 0.000 0.546 908 D N 2.106 122.204 120.400 -0.503 0.000 2.228 908 D HA -0.132 4.508 4.640 0.001 0.000 0.203 908 D C 0.285 176.579 176.300 -0.011 0.000 0.988 908 D CA 1.338 55.200 54.000 -0.230 0.000 0.864 908 D CB 0.146 40.773 40.800 -0.287 0.000 0.928 908 D HN 0.519 nan 8.370 nan 0.000 0.469 909 N N -0.590 118.258 118.700 0.247 0.000 2.328 909 N HA 0.272 5.013 4.740 0.001 0.000 0.247 909 N C -0.477 175.147 175.510 0.189 0.000 1.165 909 N CA -0.069 53.109 53.050 0.213 0.000 0.873 909 N CB 1.158 39.780 38.487 0.225 0.000 1.125 909 N HN 0.051 nan 8.380 nan 0.000 0.513 910 I N 0.530 121.214 120.570 0.190 0.000 2.499 910 I HA 0.200 4.370 4.170 0.001 0.000 0.288 910 I C -0.133 176.087 176.117 0.172 0.000 1.048 910 I CA -1.161 60.273 61.300 0.224 0.000 1.062 910 I CB 2.260 40.402 38.000 0.236 0.000 1.238 910 I HN -0.159 nan 8.210 nan 0.000 0.426 911 V N 7.111 127.148 119.914 0.205 0.000 2.720 911 V HA -0.052 4.068 4.120 0.001 0.000 0.307 911 V C 0.377 176.552 176.094 0.134 0.000 1.071 911 V CA 0.429 62.816 62.300 0.145 0.000 1.199 911 V CB 0.375 32.292 31.823 0.156 0.000 0.900 911 V HN 0.640 nan 8.190 nan 0.000 0.494 912 K N 6.312 126.766 120.400 0.090 0.000 2.339 912 K HA 0.179 4.500 4.320 0.001 0.000 0.286 912 K C -0.502 176.164 176.600 0.109 0.000 1.050 912 K CA -0.207 56.137 56.287 0.094 0.000 0.956 912 K CB 0.695 33.230 32.500 0.060 0.000 0.990 912 K HN 0.711 nan 8.250 nan 0.000 0.475 913 Y N 2.984 123.290 120.300 0.011 0.000 2.511 913 Y HA -0.100 4.450 4.550 0.001 0.000 0.332 913 Y C 0.617 176.524 175.900 0.012 0.000 1.177 913 Y CA 0.884 58.981 58.100 -0.005 0.000 1.422 913 Y CB 0.655 39.103 38.460 -0.020 0.000 1.271 913 Y HN 0.565 nan 8.280 nan 0.000 0.550 914 K N 3.656 123.682 120.400 -0.623 0.000 2.424 914 K HA 0.414 4.734 4.320 0.001 0.000 0.198 914 K C 0.317 176.583 176.600 -0.555 0.000 1.190 914 K CA 0.408 56.445 56.287 -0.417 0.000 0.935 914 K CB 0.916 33.282 32.500 -0.222 0.000 1.087 914 K HN 0.941 nan 8.250 nan 0.000 0.524 915 G N 0.105 108.274 108.800 -1.052 0.000 2.336 915 G HA2 0.288 4.248 3.960 0.001 0.000 0.286 915 G HA3 0.288 4.248 3.960 0.001 0.000 0.286 915 G C -1.888 172.805 174.900 -0.346 0.000 1.269 915 G CA -0.765 44.024 45.100 -0.519 0.000 0.873 915 G HN -0.120 nan 8.290 nan 0.000 0.494 916 V N -0.904 118.973 119.914 -0.061 0.000 2.925 916 V HA 0.585 4.705 4.120 0.001 0.000 0.311 916 V C -0.377 175.633 176.094 -0.140 0.000 1.104 916 V CA -0.697 61.497 62.300 -0.175 0.000 0.954 916 V CB 1.789 33.436 31.823 -0.292 0.000 1.022 916 V HN 1.041 nan 8.190 nan 0.000 0.427 917 C N 3.169 122.353 119.300 -0.195 0.000 2.341 917 C HA 0.710 5.171 4.460 0.001 0.000 0.338 917 C C -0.646 174.218 174.990 -0.210 0.000 1.257 917 C CA -0.740 58.229 59.018 -0.082 0.000 1.883 917 C CB 0.108 27.846 27.740 -0.004 0.000 2.334 917 C HN 0.758 nan 8.230 nan 0.000 0.524 918 Y N 1.545 121.884 120.300 0.065 0.000 2.352 918 Y HA 0.465 5.015 4.550 0.001 0.000 0.339 918 Y C 0.752 176.682 175.900 0.050 0.000 0.992 918 Y CA -0.302 57.831 58.100 0.054 0.000 1.100 918 Y CB 1.395 39.882 38.460 0.045 0.000 1.192 918 Y HN 0.691 nan 8.280 nan 0.000 0.458 919 S N 2.103 117.917 115.700 0.190 0.000 2.585 919 S HA 0.792 5.262 4.470 0.001 0.000 0.277 919 S C 0.042 174.708 174.600 0.110 0.000 1.241 919 S CA -0.848 57.425 58.200 0.122 0.000 1.041 919 S CB 1.165 64.416 63.200 0.086 0.000 0.987 919 S HN 0.868 nan 8.310 nan 0.000 0.512 920 A N 2.550 125.414 122.820 0.074 0.000 2.498 920 A HA 0.598 4.918 4.320 0.001 0.000 0.239 920 A C 1.453 179.064 177.584 0.044 0.000 1.068 920 A CA 0.317 52.385 52.037 0.051 0.000 0.766 920 A CB -1.172 17.849 19.000 0.034 0.000 1.003 920 A HN 2.471 nan 8.150 nan 0.000 0.497 921 G N 2.210 111.032 108.800 0.036 0.000 3.594 921 G HA2 -0.372 3.588 3.960 0.001 0.000 0.285 921 G HA3 -0.372 3.588 3.960 0.001 0.000 0.285 921 G C 1.081 176.004 174.900 0.038 0.000 1.551 921 G CA 0.914 46.032 45.100 0.030 0.000 1.061 921 G HN 1.595 nan 8.290 nan 0.000 0.624 922 R N 1.651 122.176 120.500 0.042 0.000 2.323 922 R HA 0.353 4.694 4.340 0.001 0.000 0.198 922 R C 1.372 177.713 176.300 0.068 0.000 0.988 922 R CA 0.989 57.117 56.100 0.047 0.000 1.041 922 R CB -0.030 30.294 30.300 0.039 0.000 0.926 922 R HN 0.831 nan 8.270 nan 0.000 0.476 923 R N 1.260 121.812 120.500 0.087 0.000 3.332 923 R HA -0.174 4.167 4.340 0.001 0.000 0.263 923 R C -1.185 175.201 176.300 0.143 0.000 1.053 923 R CA 0.518 56.698 56.100 0.134 0.000 0.705 923 R CB -1.912 28.465 30.300 0.129 0.000 1.166 923 R HN 0.682 nan 8.270 nan 0.000 0.427 924 N N 0.605 119.375 118.700 0.117 0.000 2.479 924 N HA 0.207 4.947 4.740 0.001 0.000 0.257 924 N C -0.262 175.316 175.510 0.113 0.000 1.232 924 N CA 0.043 53.160 53.050 0.112 0.000 0.920 924 N CB 0.479 39.014 38.487 0.080 0.000 1.105 924 N HN 0.213 nan 8.380 nan 0.000 0.444 925 L N 2.317 123.621 121.223 0.136 0.000 2.346 925 L HA 0.500 4.841 4.340 0.001 0.000 0.274 925 L C -0.441 176.536 176.870 0.178 0.000 1.007 925 L CA -0.765 54.111 54.840 0.060 0.000 0.818 925 L CB 1.948 44.004 42.059 -0.006 0.000 1.284 925 L HN 0.449 nan 8.230 nan 0.000 0.424 926 K N 2.536 122.955 120.400 0.033 0.000 2.324 926 K HA 0.550 4.870 4.320 0.001 0.000 0.253 926 K C -1.390 175.189 176.600 -0.035 0.000 0.932 926 K CA -0.853 55.490 56.287 0.094 0.000 0.799 926 K CB 2.812 35.329 32.500 0.029 0.000 1.154 926 K HN 0.252 nan 8.250 nan 0.000 0.425 927 L N 4.448 125.704 121.223 0.056 0.000 2.264 927 L HA 0.391 4.732 4.340 0.001 0.000 0.289 927 L C -1.017 175.779 176.870 -0.123 0.000 1.044 927 L CA -0.345 54.455 54.840 -0.066 0.000 0.807 927 L CB 0.558 42.620 42.059 0.005 0.000 1.192 927 L HN 0.461 nan 8.230 nan 0.000 0.425 928 I N 6.425 126.814 120.570 -0.302 0.000 2.331 928 I HA 0.415 4.585 4.170 0.001 0.000 0.292 928 I C 0.057 175.948 176.117 -0.377 0.000 0.998 928 I CA -0.165 60.863 61.300 -0.454 0.000 1.267 928 I CB 0.958 38.388 38.000 -0.950 0.000 1.386 928 I HN 0.747 nan 8.210 nan 0.000 0.476 929 M N 4.402 123.866 119.600 -0.226 0.000 2.658 929 M HA 0.354 4.834 4.480 0.001 0.000 0.295 929 M C -0.102 176.162 176.300 -0.061 0.000 1.248 929 M CA -0.854 54.381 55.300 -0.108 0.000 0.843 929 M CB 2.769 35.370 32.600 0.002 0.000 1.749 929 M HN 0.548 nan 8.290 nan 0.000 0.464 930 E N 0.776 120.970 120.200 -0.010 0.000 2.437 930 E HA -0.018 4.333 4.350 0.001 0.000 0.263 930 E C -1.469 175.183 176.600 0.087 0.000 1.030 930 E CA -0.144 56.277 56.400 0.034 0.000 0.934 930 E CB 0.554 30.270 29.700 0.027 0.000 0.943 930 E HN 0.524 nan 8.360 nan 0.000 0.444 931 Y N 3.733 124.022 120.300 -0.018 0.000 2.350 931 Y HA 0.291 4.842 4.550 0.001 0.000 0.340 931 Y C -0.984 174.920 175.900 0.006 0.000 1.006 931 Y CA -1.021 57.074 58.100 -0.009 0.000 1.166 931 Y CB 0.643 39.097 38.460 -0.010 0.000 1.168 931 Y HN 0.470 nan 8.280 nan 0.000 0.502 932 L N 10.014 130.920 121.223 -0.529 0.000 2.277 932 L HA 0.325 4.665 4.340 0.001 0.000 0.284 932 L C -1.559 174.875 176.870 -0.726 0.000 1.028 932 L CA -1.770 52.790 54.840 -0.467 0.000 0.835 932 L CB 1.543 43.458 42.059 -0.240 0.000 1.215 932 L HN 0.579 nan 8.230 nan 0.000 0.425 933 P HA -0.139 nan 4.420 nan 0.000 0.225 933 P C 0.978 178.278 177.300 0.001 0.000 1.156 933 P CA 1.142 64.008 63.100 -0.390 0.000 0.787 933 P CB 0.173 31.882 31.700 0.015 0.000 0.802 934 Y N -0.062 120.114 120.300 -0.206 0.000 2.490 934 Y HA 0.233 4.783 4.550 0.001 0.000 0.281 934 Y C 1.819 177.677 175.900 -0.071 0.000 1.174 934 Y CA 0.003 58.046 58.100 -0.095 0.000 1.295 934 Y CB -0.190 38.160 38.460 -0.184 0.000 1.062 934 Y HN 0.066 nan 8.280 nan 0.000 0.522 935 G N 0.664 109.467 108.800 0.004 0.000 2.593 935 G HA2 -0.294 3.666 3.960 0.001 0.000 0.237 935 G HA3 -0.294 3.666 3.960 0.001 0.000 0.237 935 G C -0.168 174.726 174.900 -0.010 0.000 1.312 935 G CA -0.358 44.746 45.100 0.006 0.000 0.896 935 G HN 0.478 nan 8.290 nan 0.000 0.574 936 S N -0.546 115.165 115.700 0.017 0.000 2.576 936 S HA 0.442 4.912 4.470 0.001 0.000 0.276 936 S C 1.514 176.130 174.600 0.027 0.000 1.339 936 S CA 0.365 58.567 58.200 0.003 0.000 1.039 936 S CB 1.583 64.791 63.200 0.013 0.000 0.902 936 S HN 1.920 nan 8.310 nan 0.000 0.516 937 L N 2.377 123.590 121.223 -0.016 0.000 2.083 937 L HA 0.006 4.346 4.340 0.001 0.000 0.209 937 L C 2.674 179.605 176.870 0.101 0.000 1.083 937 L CA 1.794 56.640 54.840 0.009 0.000 0.752 937 L CB -0.948 41.068 42.059 -0.071 0.000 0.899 937 L HN 0.955 nan 8.230 nan 0.000 0.433 938 R N -0.573 119.971 120.500 0.073 0.000 2.080 938 R HA -0.179 4.161 4.340 0.001 0.000 0.236 938 R C 1.882 178.234 176.300 0.087 0.000 1.137 938 R CA 2.028 58.179 56.100 0.086 0.000 0.943 938 R CB -0.285 30.058 30.300 0.072 0.000 0.846 938 R HN 0.410 nan 8.270 nan 0.000 0.431 939 D N -0.624 119.823 120.400 0.078 0.000 2.117 939 D HA -0.188 4.452 4.640 0.001 0.000 0.198 939 D C 1.602 177.936 176.300 0.055 0.000 0.982 939 D CA 1.066 55.099 54.000 0.055 0.000 0.828 939 D CB -0.476 40.352 40.800 0.048 0.000 0.967 939 D HN 0.285 nan 8.370 nan 0.000 0.464 940 Y N 0.975 121.266 120.300 -0.015 0.000 2.128 940 Y HA -0.200 4.350 4.550 0.000 0.000 0.284 940 Y C 2.132 178.052 175.900 0.033 0.000 1.154 940 Y CA 1.152 59.256 58.100 0.006 0.000 1.149 940 Y CB -0.326 38.181 38.460 0.079 0.000 0.976 940 Y HN -0.084 nan 8.280 nan 0.000 0.505 941 L N 0.656 121.971 121.223 0.154 0.000 2.056 941 L HA -0.178 4.162 4.340 0.001 0.000 0.207 941 L C 2.490 179.398 176.870 0.063 0.000 1.078 941 L CA 1.955 56.872 54.840 0.129 0.000 0.749 941 L CB -1.189 40.971 42.059 0.169 0.000 0.901 941 L HN 0.394 nan 8.230 nan 0.000 0.433 942 Q N -0.823 118.998 119.800 0.035 0.000 2.181 942 Q HA -0.276 4.064 4.340 0.001 0.000 0.205 942 Q C 2.237 178.196 176.000 -0.068 0.000 0.980 942 Q CA 1.861 57.670 55.803 0.011 0.000 0.862 942 Q CB 0.048 28.797 28.738 0.018 0.000 0.905 942 Q HN 0.472 nan 8.270 nan 0.000 0.429 943 K N -0.994 119.296 120.400 -0.183 0.000 2.007 943 K HA -0.127 4.193 4.320 0.001 0.000 0.206 943 K C 1.759 178.147 176.600 -0.354 0.000 1.047 943 K CA 1.300 57.384 56.287 -0.339 0.000 0.937 943 K CB 0.090 32.247 32.500 -0.571 0.000 0.718 943 K HN 0.347 nan 8.250 nan 0.000 0.438 944 H N 0.585 119.551 119.070 -0.173 0.000 2.562 944 H HA 0.137 4.694 4.556 0.000 0.000 0.267 944 H C 0.623 175.883 175.328 -0.114 0.000 0.959 944 H CA 0.504 56.448 56.048 -0.173 0.000 1.204 944 H CB 0.346 29.934 29.762 -0.291 0.000 1.430 944 H HN 0.162 nan 8.280 nan 0.000 0.545 945 K N 0.274 120.689 120.400 0.026 0.000 1.931 945 K HA -0.317 4.003 4.320 0.001 0.000 0.126 945 K C 1.099 177.542 176.600 -0.263 0.000 1.372 945 K CA 1.975 58.233 56.287 -0.048 0.000 0.483 945 K CB -0.734 31.680 32.500 -0.142 0.000 0.562 945 K HN 0.174 nan 8.250 nan 0.000 0.923 946 E N 0.917 120.761 120.200 -0.595 0.000 2.515 946 E HA -0.066 4.284 4.350 0.001 0.000 0.201 946 E C 1.709 178.173 176.600 -0.227 0.000 1.071 946 E CA 0.677 56.674 56.400 -0.672 0.000 0.880 946 E CB 0.088 29.439 29.700 -0.583 0.000 0.828 946 E HN 0.268 nan 8.360 nan 0.000 0.540 947 R N -0.089 120.338 120.500 -0.121 0.000 2.237 947 R HA 0.080 4.420 4.340 0.001 0.000 0.219 947 R C 0.822 177.117 176.300 -0.007 0.000 1.080 947 R CA 0.504 56.570 56.100 -0.056 0.000 0.995 947 R CB -0.830 29.442 30.300 -0.046 0.000 0.875 947 R HN 0.241 nan 8.270 nan 0.000 0.462 948 I N 2.910 123.521 120.570 0.068 0.000 2.301 948 I HA 0.149 4.319 4.170 0.001 0.000 0.292 948 I C -0.027 176.193 176.117 0.173 0.000 1.046 948 I CA -0.773 60.615 61.300 0.147 0.000 1.282 948 I CB 0.737 38.900 38.000 0.272 0.000 1.409 948 I HN 0.246 nan 8.210 nan 0.000 0.484 949 D N 4.018 124.468 120.400 0.084 0.000 2.433 949 D HA 0.055 4.695 4.640 0.001 0.000 0.255 949 D C 0.966 177.357 176.300 0.152 0.000 1.226 949 D CA -0.125 53.928 54.000 0.088 0.000 1.015 949 D CB 0.425 41.230 40.800 0.009 0.000 1.091 949 D HN 0.478 nan 8.370 nan 0.000 0.527 950 H N -0.906 118.190 119.070 0.043 0.000 2.387 950 H HA -0.053 4.503 4.556 0.001 0.000 0.299 950 H C 1.916 177.260 175.328 0.026 0.000 1.099 950 H CA 0.627 56.708 56.048 0.055 0.000 1.315 950 H CB 0.139 30.016 29.762 0.192 0.000 1.380 950 H HN 0.289 nan 8.280 nan 0.000 0.513 951 I N 0.810 121.460 120.570 0.133 0.000 2.163 951 I HA -0.269 3.901 4.170 0.001 0.000 0.243 951 I C 2.567 178.649 176.117 -0.059 0.000 1.085 951 I CA 1.241 62.567 61.300 0.043 0.000 1.347 951 I CB -0.124 37.890 38.000 0.023 0.000 1.044 951 I HN 0.129 nan 8.210 nan 0.000 0.408 952 K N 1.411 121.737 120.400 -0.124 0.000 2.057 952 K HA -0.098 4.222 4.320 0.001 0.000 0.206 952 K C 1.968 178.221 176.600 -0.579 0.000 1.050 952 K CA 1.455 57.531 56.287 -0.352 0.000 0.935 952 K CB -0.486 31.856 32.500 -0.263 0.000 0.715 952 K HN 0.211 nan 8.250 nan 0.000 0.439 953 L N 0.257 121.284 121.223 -0.326 0.000 2.079 953 L HA -0.178 4.163 4.340 0.001 0.000 0.210 953 L C 2.226 179.034 176.870 -0.104 0.000 1.081 953 L CA 1.147 55.811 54.840 -0.294 0.000 0.752 953 L CB -0.402 41.292 42.059 -0.608 0.000 0.896 953 L HN 0.185 nan 8.230 nan 0.000 0.433 954 L N -0.861 120.356 121.223 -0.011 0.000 2.217 954 L HA -0.176 4.164 4.340 0.001 0.000 0.211 954 L C 2.613 179.514 176.870 0.052 0.000 1.107 954 L CA 0.779 55.678 54.840 0.098 0.000 0.783 954 L CB -0.410 41.725 42.059 0.127 0.000 0.919 954 L HN 0.384 nan 8.230 nan 0.000 0.442 955 Q N 0.046 119.809 119.800 -0.061 0.000 2.050 955 Q HA -0.221 4.119 4.340 0.001 0.000 0.202 955 Q C 2.239 178.294 176.000 0.092 0.000 0.980 955 Q CA 1.857 57.638 55.803 -0.037 0.000 0.840 955 Q CB -0.198 28.457 28.738 -0.139 0.000 0.898 955 Q HN 0.535 nan 8.270 nan 0.000 0.424 956 Y N -0.216 120.123 120.300 0.064 0.000 2.181 956 Y HA -0.209 4.341 4.550 0.000 0.000 0.288 956 Y C 2.624 178.593 175.900 0.114 0.000 1.146 956 Y CA 0.902 59.041 58.100 0.065 0.000 1.164 956 Y CB -0.220 38.267 38.460 0.044 0.000 0.982 956 Y HN 0.199 nan 8.280 nan 0.000 0.515 957 T N -0.751 113.978 114.554 0.291 0.000 2.684 957 T HA -0.257 4.093 4.350 0.001 0.000 0.267 957 T C 2.099 176.996 174.700 0.328 0.000 1.036 957 T CA 1.629 63.929 62.100 0.333 0.000 1.148 957 T CB -0.484 68.569 68.868 0.308 0.000 0.863 957 T HN 0.351 nan 8.240 nan 0.000 0.436 958 S N 0.684 116.518 115.700 0.223 0.000 2.368 958 S HA -0.158 4.312 4.470 0.001 0.000 0.225 958 S C 2.149 176.836 174.600 0.146 0.000 1.030 958 S CA 1.347 59.645 58.200 0.162 0.000 0.999 958 S CB -0.317 62.954 63.200 0.118 0.000 0.844 958 S HN 0.541 nan 8.310 nan 0.000 0.459 959 Q N 0.126 120.024 119.800 0.163 0.000 2.079 959 Q HA -0.003 4.338 4.340 0.001 0.000 0.200 959 Q C 2.225 178.299 176.000 0.123 0.000 0.974 959 Q CA 1.762 57.652 55.803 0.145 0.000 0.840 959 Q CB -0.293 28.537 28.738 0.152 0.000 0.898 959 Q HN 0.602 nan 8.270 nan 0.000 0.430 960 I N -0.059 120.606 120.570 0.157 0.000 2.226 960 I HA -0.344 3.826 4.170 0.001 0.000 0.245 960 I C 2.618 178.750 176.117 0.024 0.000 1.100 960 I CA 0.657 62.038 61.300 0.134 0.000 1.374 960 I CB -0.380 37.780 38.000 0.267 0.000 1.057 960 I HN 0.368 nan 8.210 nan 0.000 0.413 961 C N 1.412 120.738 119.300 0.042 0.000 2.413 961 C HA -0.199 4.261 4.460 0.001 0.000 0.276 961 C C 2.855 177.740 174.990 -0.175 0.000 1.248 961 C CA 1.347 60.267 59.018 -0.164 0.000 1.742 961 C CB -0.882 26.815 27.740 -0.072 0.000 2.017 961 C HN 0.394 nan 8.230 nan 0.000 0.481 962 K N -0.176 120.195 120.400 -0.048 0.000 2.097 962 K HA -0.013 4.307 4.320 0.001 0.000 0.205 962 K C 2.207 178.666 176.600 -0.236 0.000 1.050 962 K CA 1.441 57.713 56.287 -0.025 0.000 0.938 962 K CB -0.529 32.057 32.500 0.143 0.000 0.718 962 K HN 0.617 nan 8.250 nan 0.000 0.442 963 G N 1.312 109.968 108.800 -0.240 0.000 2.418 963 G HA2 -0.238 3.723 3.960 0.001 0.000 0.217 963 G HA3 -0.238 3.723 3.960 0.001 0.000 0.217 963 G C 1.468 176.208 174.900 -0.266 0.000 1.158 963 G CA 0.658 45.552 45.100 -0.343 0.000 0.771 963 G HN 0.058 nan 8.290 nan 0.000 0.545 964 M N 0.426 119.787 119.600 -0.398 0.000 2.175 964 M HA 0.035 4.515 4.480 0.001 0.000 0.264 964 M C 2.275 178.218 176.300 -0.594 0.000 1.063 964 M CA 0.775 55.677 55.300 -0.662 0.000 1.119 964 M CB -0.965 30.747 32.600 -1.480 0.000 1.377 964 M HN 0.286 nan 8.290 nan 0.000 0.415 965 E N -0.252 119.672 120.200 -0.459 0.000 2.051 965 E HA -0.237 4.114 4.350 0.001 0.000 0.192 965 E C 2.041 178.603 176.600 -0.063 0.000 0.991 965 E CA 1.382 57.704 56.400 -0.131 0.000 0.799 965 E CB -0.332 29.363 29.700 -0.009 0.000 0.748 965 E HN 0.531 nan 8.360 nan 0.000 0.449 966 Y N 1.063 121.226 120.300 -0.228 0.000 2.128 966 Y HA -0.249 4.301 4.550 0.000 0.000 0.284 966 Y C 2.321 178.142 175.900 -0.132 0.000 1.154 966 Y CA 1.738 59.729 58.100 -0.182 0.000 1.149 966 Y CB -0.525 37.730 38.460 -0.342 0.000 0.976 966 Y HN 0.098 nan 8.280 nan 0.000 0.505 967 L N 0.480 121.631 121.223 -0.119 0.000 2.042 967 L HA -0.111 4.230 4.340 0.001 0.000 0.210 967 L C 2.500 179.284 176.870 -0.144 0.000 1.076 967 L CA 2.351 57.144 54.840 -0.079 0.000 0.749 967 L CB -1.270 40.866 42.059 0.129 0.000 0.893 967 L HN 0.362 nan 8.230 nan 0.000 0.432 968 G N -2.125 106.619 108.800 -0.094 0.000 2.422 968 G HA2 -0.287 3.674 3.960 0.001 0.000 0.218 968 G HA3 -0.287 3.674 3.960 0.001 0.000 0.218 968 G C 1.523 176.348 174.900 -0.124 0.000 1.140 968 G CA 1.144 46.220 45.100 -0.040 0.000 0.775 968 G HN 0.526 nan 8.290 nan 0.000 0.545 969 T N -0.923 113.514 114.554 -0.194 0.000 2.929 969 T HA 0.013 4.363 4.350 0.001 0.000 0.271 969 T C 1.941 176.449 174.700 -0.320 0.000 1.085 969 T CA 1.208 63.176 62.100 -0.219 0.000 1.125 969 T CB -0.136 68.606 68.868 -0.210 0.000 0.874 969 T HN 0.282 nan 8.240 nan 0.000 0.494 970 K N 0.642 120.747 120.400 -0.491 0.000 2.404 970 K HA 0.246 4.566 4.320 0.001 0.000 0.194 970 K C 0.331 176.519 176.600 -0.685 0.000 1.023 970 K CA -0.239 55.630 56.287 -0.697 0.000 1.094 970 K CB 0.199 32.036 32.500 -1.104 0.000 0.841 970 K HN 0.333 nan 8.250 nan 0.000 0.523 971 R N 0.095 120.378 120.500 -0.362 0.000 3.651 971 R HA -0.180 4.160 4.340 0.001 0.000 0.292 971 R C -0.937 175.356 176.300 -0.011 0.000 1.161 971 R CA 0.594 56.602 56.100 -0.153 0.000 0.787 971 R CB -2.368 27.869 30.300 -0.106 0.000 1.249 971 R HN 0.305 nan 8.270 nan 0.000 0.476 972 Y N 0.317 120.608 120.300 -0.013 0.000 2.334 972 Y HA 0.444 4.995 4.550 0.000 0.000 0.328 972 Y C 1.055 177.001 175.900 0.076 0.000 1.130 972 Y CA -1.524 56.587 58.100 0.018 0.000 1.163 972 Y CB 1.148 39.611 38.460 0.005 0.000 1.207 972 Y HN -0.079 nan 8.280 nan 0.000 0.471 973 I N 3.335 124.060 120.570 0.259 0.000 2.355 973 I HA 0.056 4.227 4.170 0.001 0.000 0.288 973 I C 0.940 177.179 176.117 0.202 0.000 0.999 973 I CA -0.519 60.916 61.300 0.226 0.000 1.163 973 I CB 0.894 39.008 38.000 0.189 0.000 1.316 973 I HN 0.867 nan 8.210 nan 0.000 0.454 974 H N 7.502 126.675 119.070 0.172 0.000 2.326 974 H HA -0.029 4.527 4.556 0.001 0.000 0.301 974 H C 0.636 176.002 175.328 0.063 0.000 1.081 974 H CA 1.994 58.121 56.048 0.132 0.000 1.334 974 H CB 0.574 30.408 29.762 0.119 0.000 1.385 974 H HN 0.590 nan 8.280 nan 0.000 0.504 975 R N -0.811 119.830 120.500 0.235 0.000 3.922 975 R HA -0.188 4.153 4.340 0.001 0.000 0.447 975 R C -0.325 176.117 176.300 0.237 0.000 1.035 975 R CA 1.258 57.433 56.100 0.125 0.000 1.289 975 R CB -1.431 28.725 30.300 -0.239 0.000 1.906 975 R HN 0.339 nan 8.270 nan 0.000 0.540 976 D N 0.075 120.693 120.400 0.363 0.000 2.865 976 D HA 0.133 4.774 4.640 0.001 0.000 0.347 976 D C -1.098 175.375 176.300 0.287 0.000 1.498 976 D CA -0.404 53.752 54.000 0.259 0.000 0.787 976 D CB 0.392 41.223 40.800 0.050 0.000 1.190 976 D HN 0.021 nan 8.370 nan 0.000 0.445 977 L N 1.770 123.165 121.223 0.287 0.000 2.433 977 L HA 0.638 4.978 4.340 0.001 0.000 0.275 977 L C -0.496 176.437 176.870 0.104 0.000 1.128 977 L CA 0.155 55.033 54.840 0.065 0.000 0.875 977 L CB 0.080 42.232 42.059 0.156 0.000 1.171 977 L HN 0.191 nan 8.230 nan 0.000 0.463 978 A N 2.567 125.373 122.820 -0.023 0.000 2.608 978 A HA 0.474 4.795 4.320 0.001 0.000 0.292 978 A C 0.724 178.312 177.584 0.007 0.000 1.066 978 A CA 0.063 52.060 52.037 -0.068 0.000 0.676 978 A CB 0.711 19.322 19.000 -0.648 0.000 1.277 978 A HN 0.782 nan 8.150 nan 0.000 0.413 979 T N -1.012 113.609 114.554 0.112 0.000 2.929 979 T HA -0.200 4.151 4.350 0.001 0.000 0.271 979 T C 1.492 176.202 174.700 0.017 0.000 1.085 979 T CA 1.696 63.843 62.100 0.077 0.000 1.125 979 T CB -0.529 68.412 68.868 0.121 0.000 0.874 979 T HN 0.874 nan 8.240 nan 0.000 0.494 980 R N 1.264 121.752 120.500 -0.021 0.000 2.237 980 R HA 0.102 4.443 4.340 0.001 0.000 0.219 980 R C 1.222 177.490 176.300 -0.052 0.000 1.080 980 R CA 1.147 57.224 56.100 -0.038 0.000 0.995 980 R CB -0.419 29.840 30.300 -0.068 0.000 0.875 980 R HN 0.293 nan 8.270 nan 0.000 0.462 981 N N 0.466 119.125 118.700 -0.069 0.000 2.214 981 N HA 0.177 4.918 4.740 0.001 0.000 0.214 981 N C -0.634 174.826 175.510 -0.084 0.000 1.132 981 N CA 0.099 53.106 53.050 -0.072 0.000 0.856 981 N CB 0.716 39.165 38.487 -0.063 0.000 1.020 981 N HN 0.148 nan 8.380 nan 0.000 0.509 982 I N 1.452 121.983 120.570 -0.065 0.000 2.441 982 I HA 0.394 4.564 4.170 0.001 0.000 0.295 982 I C 0.105 176.175 176.117 -0.078 0.000 0.994 982 I CA -0.547 60.710 61.300 -0.071 0.000 1.144 982 I CB 1.796 39.763 38.000 -0.055 0.000 1.314 982 I HN -0.247 nan 8.210 nan 0.000 0.445 983 L N 5.181 126.348 121.223 -0.094 0.000 2.333 983 L HA 0.616 4.956 4.340 0.001 0.000 0.269 983 L C -0.538 176.216 176.870 -0.194 0.000 1.010 983 L CA -1.075 53.696 54.840 -0.115 0.000 0.818 983 L CB 2.394 44.402 42.059 -0.085 0.000 1.306 983 L HN 0.174 nan 8.230 nan 0.000 0.430 984 V N 1.178 120.949 119.914 -0.239 0.000 2.347 984 V HA 0.141 4.261 4.120 0.001 0.000 0.280 984 V C 0.757 176.659 176.094 -0.320 0.000 1.021 984 V CA -0.269 61.806 62.300 -0.377 0.000 0.847 984 V CB 1.282 32.749 31.823 -0.594 0.000 0.990 984 V HN 0.899 nan 8.190 nan 0.000 0.444 985 E N 4.572 124.575 120.200 -0.329 0.000 2.051 985 E HA -0.054 4.296 4.350 0.001 0.000 0.189 985 E C 0.565 176.854 176.600 -0.518 0.000 0.979 985 E CA 1.305 57.520 56.400 -0.309 0.000 0.803 985 E CB 0.396 29.969 29.700 -0.211 0.000 0.761 985 E HN 0.959 nan 8.360 nan 0.000 0.451 986 N N -2.135 116.190 118.700 -0.625 0.000 3.106 986 N HA 0.005 4.745 4.740 0.001 0.000 0.253 986 N C -0.121 175.050 175.510 -0.565 0.000 1.506 986 N CA -0.541 51.972 53.050 -0.895 0.000 0.876 986 N CB 0.326 38.524 38.487 -0.480 0.000 1.452 986 N HN -0.145 nan 8.380 nan 0.000 0.542 987 E N -0.795 119.197 120.200 -0.346 0.000 2.233 987 E HA -0.199 4.151 4.350 0.001 0.000 0.199 987 E C 0.079 176.746 176.600 0.112 0.000 1.004 987 E CA 1.544 57.951 56.400 0.011 0.000 0.819 987 E CB -0.275 29.480 29.700 0.092 0.000 0.738 987 E HN 0.580 nan 8.360 nan 0.000 0.478 988 N N -0.886 117.826 118.700 0.020 0.000 2.205 988 N HA 0.083 4.823 4.740 0.001 0.000 0.201 988 N C -0.205 175.359 175.510 0.090 0.000 1.128 988 N CA -0.111 52.982 53.050 0.071 0.000 0.867 988 N CB 0.768 39.262 38.487 0.010 0.000 0.996 988 N HN -0.147 nan 8.380 nan 0.000 0.503 989 R N 1.342 121.852 120.500 0.016 0.000 2.522 989 R HA 0.325 4.665 4.340 0.001 0.000 0.283 989 R C -1.567 174.652 176.300 -0.134 0.000 1.074 989 R CA -0.534 55.554 56.100 -0.020 0.000 0.925 989 R CB 1.450 31.717 30.300 -0.056 0.000 1.205 989 R HN -0.077 nan 8.270 nan 0.000 0.436 990 V N 0.029 119.880 119.914 -0.106 0.000 2.919 990 V HA 0.730 4.851 4.120 0.001 0.000 0.316 990 V C -0.807 175.247 176.094 -0.068 0.000 1.077 990 V CA -0.867 61.325 62.300 -0.180 0.000 0.977 990 V CB 2.102 33.760 31.823 -0.276 0.000 1.039 990 V HN 0.710 nan 8.190 nan 0.000 0.441 991 K N 2.652 123.013 120.400 -0.066 0.000 2.464 991 K HA 0.602 4.923 4.320 0.001 0.000 0.253 991 K C -1.235 175.366 176.600 0.002 0.000 0.933 991 K CA -0.782 55.507 56.287 0.003 0.000 0.801 991 K CB 2.817 35.328 32.500 0.018 0.000 1.271 991 K HN 0.685 nan 8.250 nan 0.000 0.430 992 I N 1.513 122.106 120.570 0.039 0.000 2.598 992 I HA -0.020 4.151 4.170 0.001 0.000 0.284 992 I C 1.249 177.386 176.117 0.033 0.000 1.140 992 I CA 0.601 61.890 61.300 -0.018 0.000 1.420 992 I CB 0.581 38.566 38.000 -0.024 0.000 1.387 992 I HN 0.961 nan 8.210 nan 0.000 0.553 993 G N 4.090 112.846 108.800 -0.072 0.000 3.079 993 G HA2 0.098 4.059 3.960 0.001 0.000 0.233 993 G HA3 0.098 4.059 3.960 0.001 0.000 0.233 993 G C -0.256 174.644 174.900 -0.000 0.000 1.062 993 G CA 0.070 45.178 45.100 0.012 0.000 0.809 993 G HN 0.627 nan 8.290 nan 0.000 0.535 994 D N -1.461 118.809 120.400 -0.217 0.000 2.859 994 D HA 0.559 5.199 4.640 0.001 0.000 0.223 994 D C -1.031 174.940 176.300 -0.550 0.000 1.218 994 D CA -0.693 53.208 54.000 -0.165 0.000 0.850 994 D CB 1.586 42.335 40.800 -0.085 0.000 1.656 994 D HN -0.098 nan 8.370 nan 0.000 0.484 995 F N 1.466 121.401 119.950 -0.025 0.000 2.815 995 F HA 0.329 4.857 4.527 0.000 0.000 0.335 995 F C 1.696 177.390 175.800 -0.176 0.000 1.179 995 F CA -0.601 57.297 58.000 -0.170 0.000 1.204 995 F CB 1.297 40.236 39.000 -0.103 0.000 1.050 995 F HN 0.532 nan 8.300 nan 0.000 0.510 996 G N 0.252 109.020 108.800 -0.054 0.000 2.448 996 G HA2 -0.123 3.837 3.960 0.001 0.000 0.219 996 G HA3 -0.123 3.837 3.960 0.001 0.000 0.219 996 G C 1.336 176.177 174.900 -0.098 0.000 1.127 996 G CA 0.694 45.770 45.100 -0.040 0.000 0.766 996 G HN 0.379 nan 8.290 nan 0.000 0.552 997 L N 0.843 121.962 121.223 -0.174 0.000 2.693 997 L HA 0.159 4.500 4.340 0.001 0.000 0.235 997 L C 0.518 177.269 176.870 -0.198 0.000 1.127 997 L CA -0.185 54.545 54.840 -0.182 0.000 0.914 997 L CB 0.123 42.074 42.059 -0.180 0.000 1.193 997 L HN -0.028 nan 8.230 nan 0.000 0.502 998 T N 2.086 116.526 114.554 -0.189 0.000 2.888 998 T HA 0.140 4.490 4.350 0.001 0.000 0.301 998 T C 0.291 174.921 174.700 -0.117 0.000 1.001 998 T CA 0.207 62.224 62.100 -0.138 0.000 1.147 998 T CB 0.777 69.612 68.868 -0.055 0.000 0.931 998 T HN -0.021 nan 8.240 nan 0.000 0.541 999 K N 2.205 122.566 120.400 -0.066 0.000 2.328 999 K HA 0.572 4.892 4.320 0.001 0.000 0.246 999 K C -0.786 175.844 176.600 0.049 0.000 0.955 999 K CA -0.807 55.459 56.287 -0.034 0.000 0.817 999 K CB 2.341 34.824 32.500 -0.029 0.000 1.208 999 K HN 0.303 nan 8.250 nan 0.000 0.432 1000 V N 3.095 123.049 119.914 0.066 0.000 2.439 1000 V HA 0.308 4.428 4.120 0.001 0.000 0.282 1000 V C 0.630 176.791 176.094 0.111 0.000 1.039 1000 V CA -0.962 61.442 62.300 0.174 0.000 0.913 1000 V CB 1.004 32.938 31.823 0.184 0.000 0.983 1000 V HN 0.545 nan 8.190 nan 0.000 0.460 1001 L N 6.511 127.801 121.223 0.112 0.000 2.485 1001 L HA 0.211 4.551 4.340 0.001 0.000 0.275 1001 L C -1.909 174.992 176.870 0.052 0.000 1.207 1001 L CA -1.265 53.619 54.840 0.073 0.000 0.855 1001 L CB 0.295 42.390 42.059 0.060 0.000 1.114 1001 L HN 0.451 nan 8.230 nan 0.000 0.485 1002 P HA 0.026 nan 4.420 nan 0.000 0.268 1002 P C 0.497 177.809 177.300 0.020 0.000 1.208 1002 P CA 0.062 63.180 63.100 0.029 0.000 0.777 1002 P CB 0.561 32.277 31.700 0.026 0.000 0.875 1003 Q N 2.274 122.082 119.800 0.013 0.000 2.152 1003 Q HA -0.226 4.114 4.340 0.001 0.000 0.206 1003 Q C 1.227 177.229 176.000 0.004 0.000 0.985 1003 Q CA 2.312 58.118 55.803 0.005 0.000 0.863 1003 Q CB -1.326 27.413 28.738 0.003 0.000 0.904 1003 Q HN 0.762 nan 8.270 nan 0.000 0.422 1004 D N -1.975 118.429 120.400 0.007 0.000 2.398 1004 D HA 0.123 4.763 4.640 0.001 0.000 0.210 1004 D C -0.030 176.274 176.300 0.007 0.000 1.094 1004 D CA 0.022 54.025 54.000 0.005 0.000 0.839 1004 D CB 0.329 41.131 40.800 0.004 0.000 0.963 1004 D HN 0.370 nan 8.370 nan 0.000 0.506 1005 K N 0.581 120.988 120.400 0.012 0.000 2.328 1005 K HA 0.387 4.707 4.320 0.001 0.000 0.246 1005 K C 0.141 176.752 176.600 0.019 0.000 0.955 1005 K CA -0.625 55.671 56.287 0.014 0.000 0.817 1005 K CB 2.538 35.048 32.500 0.018 0.000 1.208 1005 K HN -0.102 nan 8.250 nan 0.000 0.432 1010 V N 5.868 125.900 119.914 0.196 0.000 2.432 1010 V HA 0.188 4.308 4.120 0.001 0.000 0.271 1010 V C 0.950 177.106 176.094 0.103 0.000 1.046 1010 V CA -0.201 62.182 62.300 0.138 0.000 0.945 1010 V CB 1.306 33.223 31.823 0.156 0.000 0.992 1010 V HN 0.807 nan 8.190 nan 0.000 0.471 1011 K N 2.356 122.795 120.400 0.064 0.000 2.098 1011 K HA 0.104 4.424 4.320 0.001 0.000 0.203 1011 K C 0.322 176.949 176.600 0.045 0.000 1.051 1011 K CA 0.802 57.118 56.287 0.048 0.000 0.957 1011 K CB 0.306 32.827 32.500 0.034 0.000 0.738 1011 K HN 0.584 nan 8.250 nan 0.000 0.447 1012 E N 1.662 121.889 120.200 0.044 0.000 2.489 1012 E HA 0.219 4.569 4.350 0.001 0.000 0.232 1012 E C -2.557 174.070 176.600 0.045 0.000 0.990 1012 E CA -1.726 54.697 56.400 0.039 0.000 0.768 1012 E CB 1.174 30.892 29.700 0.029 0.000 1.270 1012 E HN 0.091 nan 8.360 nan 0.000 0.423 1013 P HA 0.080 nan 4.420 nan 0.000 0.265 1013 P C 0.514 177.839 177.300 0.042 0.000 1.193 1013 P CA 0.009 63.152 63.100 0.073 0.000 0.765 1013 P CB 0.884 32.654 31.700 0.117 0.000 0.823 1014 G N 1.330 110.145 108.800 0.026 0.000 2.630 1014 G HA2 0.152 4.113 3.960 0.001 0.000 0.223 1014 G HA3 0.152 4.113 3.960 0.001 0.000 0.223 1014 G C -0.567 174.331 174.900 -0.002 0.000 1.434 1014 G CA -0.535 44.569 45.100 0.007 0.000 1.057 1014 G HN 0.596 nan 8.290 nan 0.000 0.570 1015 E N -0.263 119.925 120.200 -0.021 0.000 2.493 1015 E HA 0.225 4.576 4.350 0.001 0.000 0.255 1015 E C -0.603 175.967 176.600 -0.051 0.000 0.999 1015 E CA 0.125 56.503 56.400 -0.036 0.000 0.934 1015 E CB 0.119 29.796 29.700 -0.039 0.000 0.940 1015 E HN 0.177 nan 8.360 nan 0.000 0.473 1016 S N 5.923 121.569 115.700 -0.090 0.000 2.473 1016 S HA 0.337 4.807 4.470 0.001 0.000 0.307 1016 S C -2.313 172.078 174.600 -0.347 0.000 1.094 1016 S CA -1.284 56.806 58.200 -0.183 0.000 1.070 1016 S CB 1.760 64.862 63.200 -0.164 0.000 1.019 1016 S HN 0.499 nan 8.310 nan 0.000 0.480 1017 P HA 0.202 nan 4.420 nan 0.000 0.225 1017 P C 0.914 177.991 177.300 -0.372 0.000 1.813 1017 P CA -0.335 62.623 63.100 -0.235 0.000 1.013 1017 P CB -0.709 30.929 31.700 -0.105 0.000 1.961 1018 I N -3.472 116.753 120.570 -0.574 0.000 2.423 1018 I HA -0.194 3.977 4.170 0.001 0.000 0.254 1018 I C 1.250 177.131 176.117 -0.394 0.000 1.151 1018 I CA 1.284 62.173 61.300 -0.684 0.000 1.421 1018 I CB -1.013 36.587 38.000 -0.668 0.000 1.079 1018 I HN -0.125 nan 8.210 nan 0.000 0.431 1019 F N -0.254 119.764 119.950 0.112 0.000 2.802 1019 F HA 0.053 4.580 4.527 0.000 0.000 0.300 1019 F C 1.807 177.674 175.800 0.112 0.000 1.168 1019 F CA 0.291 58.329 58.000 0.063 0.000 1.433 1019 F CB -0.176 38.905 39.000 0.134 0.000 1.115 1019 F HN 0.197 nan 8.300 nan 0.000 0.582 1020 W N -1.790 119.686 121.300 0.293 0.000 3.127 1020 W HA 0.130 4.791 4.660 0.001 0.000 0.344 1020 W C -0.178 176.680 176.519 0.565 0.000 1.151 1020 W CA -0.267 57.346 57.345 0.446 0.000 1.765 1020 W CB 0.168 29.865 29.460 0.395 0.000 1.085 1020 W HN -0.200 nan 8.180 nan 0.000 0.596 1021 Y N 1.421 121.885 120.300 0.274 0.000 2.304 1021 Y HA 0.397 4.947 4.550 0.000 0.000 0.328 1021 Y C 0.875 176.445 175.900 -0.549 0.000 1.123 1021 Y CA -1.510 56.589 58.100 -0.001 0.000 1.218 1021 Y CB 0.297 38.722 38.460 -0.057 0.000 1.207 1021 Y HN -0.217 nan 8.280 nan 0.000 0.495 1022 A N 6.488 128.848 122.820 -0.766 0.000 2.466 1022 A HA 0.217 4.538 4.320 0.001 0.000 0.238 1022 A C -1.511 175.519 177.584 -0.923 0.000 1.074 1022 A CA -1.031 50.139 52.037 -1.445 0.000 0.774 1022 A CB -0.152 18.416 19.000 -0.721 0.000 1.015 1022 A HN 0.610 nan 8.150 nan 0.000 0.498 1023 P HA -0.221 nan 4.420 nan 0.000 0.216 1023 P C 1.345 178.414 177.300 -0.384 0.000 1.153 1023 P CA 1.750 64.541 63.100 -0.514 0.000 0.858 1023 P CB 0.095 31.561 31.700 -0.390 0.000 0.789 1024 E N -0.467 119.502 120.200 -0.385 0.000 2.208 1024 E HA -0.080 4.271 4.350 0.001 0.000 0.193 1024 E C 1.572 177.918 176.600 -0.423 0.000 0.988 1024 E CA 1.254 57.460 56.400 -0.323 0.000 0.828 1024 E CB -1.078 28.466 29.700 -0.260 0.000 0.763 1024 E HN 0.163 nan 8.360 nan 0.000 0.478 1025 S N 1.285 116.628 115.700 -0.595 0.000 2.383 1025 S HA 0.014 4.484 4.470 0.001 0.000 0.227 1025 S C 2.153 176.496 174.600 -0.427 0.000 1.026 1025 S CA 0.898 58.569 58.200 -0.883 0.000 0.981 1025 S CB -0.231 62.176 63.200 -1.321 0.000 0.818 1025 S HN 0.207 nan 8.310 nan 0.000 0.472 1026 L N 1.350 122.429 121.223 -0.240 0.000 2.072 1026 L HA -0.082 4.259 4.340 0.001 0.000 0.205 1026 L C 2.936 179.742 176.870 -0.106 0.000 1.079 1026 L CA 1.552 56.342 54.840 -0.084 0.000 0.752 1026 L CB -1.097 40.889 42.059 -0.122 0.000 0.906 1026 L HN 0.468 nan 8.230 nan 0.000 0.436 1027 T N -3.744 110.716 114.554 -0.158 0.000 2.976 1027 T HA -0.026 4.324 4.350 0.001 0.000 0.257 1027 T C 1.406 176.046 174.700 -0.101 0.000 1.051 1027 T CA 0.650 62.679 62.100 -0.119 0.000 1.141 1027 T CB 0.012 68.802 68.868 -0.129 0.000 0.881 1027 T HN 0.343 nan 8.240 nan 0.000 0.461 1028 E N 0.617 120.731 120.200 -0.143 0.000 2.601 1028 E HA 0.299 4.650 4.350 0.001 0.000 0.219 1028 E C -0.068 176.455 176.600 -0.128 0.000 0.964 1028 E CA -0.147 56.182 56.400 -0.119 0.000 1.050 1028 E CB 0.678 30.304 29.700 -0.123 0.000 1.068 1028 E HN 0.293 nan 8.360 nan 0.000 0.496 1029 S N 1.412 117.006 115.700 -0.177 0.000 3.521 1029 S HA -0.199 4.271 4.470 0.001 0.000 0.362 1029 S C -0.134 174.309 174.600 -0.261 0.000 1.044 1029 S CA 1.017 59.124 58.200 -0.155 0.000 1.091 1029 S CB -1.183 62.078 63.200 0.101 0.000 0.908 1029 S HN 0.266 nan 8.310 nan 0.000 0.473 1030 K N 0.353 120.457 120.400 -0.492 0.000 2.211 1030 K HA 0.585 4.905 4.320 0.001 0.000 0.275 1030 K C -0.546 175.646 176.600 -0.679 0.000 1.024 1030 K CA -0.090 55.978 56.287 -0.364 0.000 0.887 1030 K CB 0.680 33.040 32.500 -0.234 0.000 1.084 1030 K HN 0.142 nan 8.250 nan 0.000 0.463 1031 F N 0.905 120.804 119.950 -0.085 0.000 2.507 1031 F HA 0.361 4.888 4.527 0.001 0.000 0.325 1031 F C 0.410 176.203 175.800 -0.012 0.000 1.116 1031 F CA -0.546 57.409 58.000 -0.074 0.000 0.930 1031 F CB 2.086 41.039 39.000 -0.078 0.000 1.146 1031 F HN 0.539 nan 8.300 nan 0.000 0.447 1032 S N 0.256 116.051 115.700 0.158 0.000 2.705 1032 S HA 0.483 4.954 4.470 0.001 0.000 0.280 1032 S C 0.110 174.812 174.600 0.170 0.000 1.174 1032 S CA -0.807 57.471 58.200 0.129 0.000 0.823 1032 S CB 1.273 64.509 63.200 0.060 0.000 1.162 1032 S HN 0.239 nan 8.310 nan 0.000 0.487 1033 V N 1.268 121.276 119.914 0.157 0.000 2.380 1033 V HA -0.174 3.947 4.120 0.001 0.000 0.251 1033 V C 2.968 179.163 176.094 0.169 0.000 1.063 1033 V CA 2.672 65.095 62.300 0.205 0.000 1.055 1033 V CB -1.609 30.317 31.823 0.171 0.000 0.657 1033 V HN 0.995 nan 8.190 nan 0.000 0.455 1034 A N 0.495 123.374 122.820 0.099 0.000 1.969 1034 A HA -0.177 4.143 4.320 0.001 0.000 0.218 1034 A C 2.506 180.179 177.584 0.148 0.000 1.169 1034 A CA 2.033 54.115 52.037 0.074 0.000 0.635 1034 A CB -0.590 18.438 19.000 0.048 0.000 0.810 1034 A HN 0.700 nan 8.150 nan 0.000 0.445 1035 S N -0.221 115.566 115.700 0.145 0.000 2.428 1035 S HA -0.126 4.344 4.470 0.001 0.000 0.230 1035 S C 1.348 176.151 174.600 0.339 0.000 1.014 1035 S CA 1.183 59.488 58.200 0.175 0.000 0.957 1035 S CB -0.365 62.830 63.200 -0.009 0.000 0.784 1035 S HN 0.450 nan 8.310 nan 0.000 0.499 1036 D N 1.691 122.307 120.400 0.359 0.000 2.144 1036 D HA -0.015 4.625 4.640 0.001 0.000 0.199 1036 D C 2.053 178.678 176.300 0.541 0.000 0.984 1036 D CA 0.821 55.112 54.000 0.487 0.000 0.834 1036 D CB -0.472 40.652 40.800 0.540 0.000 0.955 1036 D HN 0.307 nan 8.370 nan 0.000 0.465 1037 V N 0.868 120.944 119.914 0.269 0.000 2.343 1037 V HA -0.204 3.916 4.120 0.001 0.000 0.247 1037 V C 2.171 178.450 176.094 0.309 0.000 1.051 1037 V CA 1.306 63.608 62.300 0.003 0.000 1.036 1037 V CB -0.456 31.173 31.823 -0.322 0.000 0.654 1037 V HN 0.406 nan 8.190 nan 0.000 0.451 1038 W N 1.166 122.593 121.300 0.211 0.000 2.317 1038 W HA -0.234 4.426 4.660 -0.000 0.000 0.318 1038 W C 2.518 179.314 176.519 0.462 0.000 1.227 1038 W CA 2.298 59.842 57.345 0.332 0.000 1.269 1038 W CB -0.672 28.954 29.460 0.276 0.000 1.155 1038 W HN 0.331 nan 8.180 nan 0.000 0.484 1039 S N 0.701 116.889 115.700 0.814 0.000 2.382 1039 S HA -0.237 4.233 4.470 0.001 0.000 0.228 1039 S C 1.550 176.525 174.600 0.626 0.000 1.027 1039 S CA 1.583 60.246 58.200 0.771 0.000 0.991 1039 S CB -1.074 62.554 63.200 0.714 0.000 0.823 1039 S HN 0.355 nan 8.310 nan 0.000 0.469 1040 F N 2.712 122.921 119.950 0.431 0.000 2.161 1040 F HA -0.051 4.476 4.527 0.000 0.000 0.300 1040 F C 2.217 178.151 175.800 0.224 0.000 1.089 1040 F CA 1.265 59.473 58.000 0.347 0.000 1.282 1040 F CB -0.936 38.311 39.000 0.412 0.000 1.010 1040 F HN 0.208 nan 8.300 nan 0.000 0.485 1041 G N 0.063 108.881 108.800 0.030 0.000 2.418 1041 G HA2 -0.221 3.740 3.960 0.001 0.000 0.217 1041 G HA3 -0.221 3.740 3.960 0.001 0.000 0.217 1041 G C 1.689 176.637 174.900 0.080 0.000 1.158 1041 G CA 1.275 46.178 45.100 -0.330 0.000 0.771 1041 G HN 0.358 nan 8.290 nan 0.000 0.545 1042 V N 0.581 120.770 119.914 0.459 0.000 2.343 1042 V HA -0.163 3.957 4.120 0.001 0.000 0.247 1042 V C 2.993 179.288 176.094 0.335 0.000 1.051 1042 V CA 1.384 63.917 62.300 0.387 0.000 1.036 1042 V CB -0.537 31.337 31.823 0.084 0.000 0.654 1042 V HN 0.240 nan 8.190 nan 0.000 0.451 1043 V N -0.248 119.849 119.914 0.304 0.000 2.332 1043 V HA -0.254 3.866 4.120 0.001 0.000 0.248 1043 V C 2.415 178.546 176.094 0.060 0.000 1.055 1043 V CA 2.048 64.485 62.300 0.228 0.000 1.038 1043 V CB -0.611 31.305 31.823 0.154 0.000 0.651 1043 V HN 0.479 nan 8.190 nan 0.000 0.450 1044 L N -0.565 120.560 121.223 -0.164 0.000 2.042 1044 L HA -0.209 4.131 4.340 0.001 0.000 0.210 1044 L C 2.285 179.223 176.870 0.112 0.000 1.076 1044 L CA 2.166 56.932 54.840 -0.125 0.000 0.749 1044 L CB -1.002 40.833 42.059 -0.373 0.000 0.893 1044 L HN 0.501 nan 8.230 nan 0.000 0.432 1045 Y N 0.515 120.848 120.300 0.055 0.000 2.128 1045 Y HA -0.289 4.261 4.550 0.001 0.000 0.284 1045 Y C 2.409 178.373 175.900 0.108 0.000 1.154 1045 Y CA 2.262 60.444 58.100 0.136 0.000 1.149 1045 Y CB -0.175 38.435 38.460 0.249 0.000 0.976 1045 Y HN 0.366 nan 8.280 nan 0.000 0.505 1046 E N 0.296 120.619 120.200 0.206 0.000 2.049 1046 E HA -0.263 4.087 4.350 0.001 0.000 0.198 1046 E C 2.258 178.829 176.600 -0.048 0.000 1.007 1046 E CA 1.815 58.285 56.400 0.117 0.000 0.809 1046 E CB -0.456 29.410 29.700 0.277 0.000 0.749 1046 E HN 0.512 nan 8.360 nan 0.000 0.450 1047 L N -0.179 121.021 121.223 -0.038 0.000 1.990 1047 L HA -0.217 4.123 4.340 0.001 0.000 0.213 1047 L C 2.333 178.869 176.870 -0.556 0.000 1.072 1047 L CA 1.336 56.042 54.840 -0.223 0.000 0.755 1047 L CB -0.431 41.541 42.059 -0.145 0.000 0.889 1047 L HN 0.112 nan 8.230 nan 0.000 0.432 1048 F N -0.359 119.355 119.950 -0.394 0.000 2.748 1048 F HA -0.074 4.454 4.527 0.001 0.000 0.299 1048 F C 2.454 178.033 175.800 -0.367 0.000 1.154 1048 F CA 1.102 58.833 58.000 -0.449 0.000 1.446 1048 F CB -0.517 38.290 39.000 -0.321 0.000 1.112 1048 F HN 0.156 nan 8.300 nan 0.000 0.584 1049 T N -4.942 109.444 114.554 -0.280 0.000 3.107 1049 T HA -0.051 4.300 4.350 0.001 0.000 0.249 1049 T C 0.482 175.203 174.700 0.036 0.000 1.096 1049 T CA 0.050 62.044 62.100 -0.176 0.000 1.012 1049 T CB -0.840 67.814 68.868 -0.355 0.000 0.977 1049 T HN 0.297 nan 8.240 nan 0.000 0.527 1050 Y N 1.876 122.128 120.300 -0.080 0.000 3.978 1050 Y HA -0.213 4.337 4.550 0.001 0.000 0.219 1050 Y C 0.637 176.527 175.900 -0.018 0.000 1.153 1050 Y CA 0.270 58.344 58.100 -0.044 0.000 1.718 1050 Y CB -2.399 36.038 38.460 -0.039 0.000 1.541 1050 Y HN 0.297 nan 8.280 nan 0.000 0.640 1051 I N -1.555 119.058 120.570 0.071 0.000 6.133 1051 I HA -0.316 3.855 4.170 0.001 0.000 0.126 1051 I C 0.877 177.040 176.117 0.076 0.000 1.819 1051 I CA 1.164 62.514 61.300 0.083 0.000 2.061 1051 I CB -1.794 36.262 38.000 0.094 0.000 3.437 1051 I HN 0.618 nan 8.210 nan 0.000 0.177 1052 E N 1.842 122.080 120.200 0.064 0.000 2.415 1052 E HA 0.202 4.552 4.350 0.001 0.000 0.260 1052 E C 1.558 178.184 176.600 0.043 0.000 1.016 1052 E CA 0.807 57.236 56.400 0.047 0.000 0.924 1052 E CB 0.877 30.598 29.700 0.036 0.000 0.961 1052 E HN 0.471 nan 8.360 nan 0.000 0.459 1053 K N 2.516 122.940 120.400 0.039 0.000 2.063 1053 K HA -0.197 4.123 4.320 0.001 0.000 0.208 1053 K C 1.943 178.560 176.600 0.029 0.000 1.048 1053 K CA 2.161 58.472 56.287 0.041 0.000 0.928 1053 K CB -1.124 31.395 32.500 0.032 0.000 0.713 1053 K HN 0.677 nan 8.250 nan 0.000 0.442 1054 S N 0.209 115.919 115.700 0.017 0.000 2.507 1054 S HA -0.049 4.421 4.470 0.001 0.000 0.235 1054 S C 1.459 176.060 174.600 0.002 0.000 0.988 1054 S CA 0.968 59.170 58.200 0.003 0.000 0.944 1054 S CB 0.129 63.329 63.200 -0.001 0.000 0.762 1054 S HN 0.511 nan 8.310 nan 0.000 0.526 1055 K N 2.112 122.526 120.400 0.024 0.000 2.358 1055 K HA 0.239 4.559 4.320 0.001 0.000 0.200 1055 K C 0.654 177.324 176.600 0.117 0.000 1.030 1055 K CA 0.241 56.559 56.287 0.053 0.000 1.097 1055 K CB 0.455 32.974 32.500 0.031 0.000 0.862 1055 K HN 0.591 nan 8.250 nan 0.000 0.534 1056 S N 1.509 117.254 115.700 0.075 0.000 2.566 1056 S HA 0.084 4.555 4.470 0.001 0.000 0.280 1056 S C -1.800 172.781 174.600 -0.032 0.000 1.343 1056 S CA -0.736 57.524 58.200 0.100 0.000 1.036 1056 S CB 0.971 64.234 63.200 0.105 0.000 0.866 1056 S HN -0.158 nan 8.310 nan 0.000 0.526 1057 P HA -0.036 nan 4.420 nan 0.000 0.216 1057 P C -1.539 175.512 177.300 -0.416 0.000 1.153 1057 P CA 1.343 64.180 63.100 -0.437 0.000 0.858 1057 P CB -1.135 30.111 31.700 -0.757 0.000 0.789 1058 P HA -0.156 nan 4.420 nan 0.000 0.215 1058 P C 1.495 178.456 177.300 -0.565 0.000 1.153 1058 P CA 2.005 64.581 63.100 -0.873 0.000 0.853 1058 P CB -0.654 30.878 31.700 -0.280 0.000 0.788 1059 A N -0.046 122.613 122.820 -0.268 0.000 1.902 1059 A HA -0.218 4.102 4.320 0.001 0.000 0.217 1059 A C 2.227 179.691 177.584 -0.200 0.000 1.181 1059 A CA 1.594 53.526 52.037 -0.173 0.000 0.623 1059 A CB -1.108 17.842 19.000 -0.084 0.000 0.818 1059 A HN 0.078 nan 8.150 nan 0.000 0.443 1060 E N -0.842 119.197 120.200 -0.268 0.000 2.072 1060 E HA -0.087 4.263 4.350 0.001 0.000 0.190 1060 E C 1.792 178.197 176.600 -0.324 0.000 0.982 1060 E CA 0.834 57.047 56.400 -0.311 0.000 0.803 1060 E CB -0.385 29.063 29.700 -0.419 0.000 0.755 1060 E HN 0.756 nan 8.360 nan 0.000 0.453 1061 F N 0.330 120.096 119.950 -0.305 0.000 2.186 1061 F HA -0.156 4.371 4.527 0.000 0.000 0.299 1061 F C 2.483 178.208 175.800 -0.124 0.000 1.090 1061 F CA 0.516 58.396 58.000 -0.199 0.000 1.307 1061 F CB -0.065 38.861 39.000 -0.122 0.000 1.019 1061 F HN -0.001 nan 8.300 nan 0.000 0.489 1062 M N -0.128 119.446 119.600 -0.044 0.000 2.117 1062 M HA -0.191 4.290 4.480 0.001 0.000 0.262 1062 M C 2.217 178.518 176.300 0.001 0.000 1.065 1062 M CA 1.449 56.750 55.300 0.002 0.000 1.114 1062 M CB -1.259 31.308 32.600 -0.055 0.000 1.361 1062 M HN 0.116 nan 8.290 nan 0.000 0.408 1063 R N 0.010 120.487 120.500 -0.039 0.000 2.091 1063 R HA -0.125 4.215 4.340 0.001 0.000 0.238 1063 R C 2.112 178.405 176.300 -0.010 0.000 1.136 1063 R CA 1.543 57.624 56.100 -0.032 0.000 0.959 1063 R CB -0.101 30.166 30.300 -0.056 0.000 0.856 1063 R HN 0.309 nan 8.270 nan 0.000 0.437 1064 M N 0.471 120.072 119.600 0.002 0.000 2.229 1064 M HA -0.085 4.395 4.480 0.001 0.000 0.264 1064 M C 2.189 178.525 176.300 0.059 0.000 1.063 1064 M CA 1.396 56.714 55.300 0.030 0.000 1.114 1064 M CB -0.039 32.588 32.600 0.045 0.000 1.387 1064 M HN 0.331 nan 8.290 nan 0.000 0.420 1065 I N -2.702 117.916 120.570 0.081 0.000 3.226 1065 I HA 0.370 4.540 4.170 0.001 0.000 0.277 1065 I C 0.626 176.732 176.117 -0.018 0.000 1.243 1065 I CA 0.228 61.566 61.300 0.064 0.000 1.459 1065 I CB -0.284 37.791 38.000 0.124 0.000 1.093 1065 I HN 0.237 nan 8.210 nan 0.000 0.453 1066 G N 2.105 110.901 108.800 -0.006 0.000 3.233 1066 G HA2 -0.203 3.757 3.960 0.001 0.000 0.686 1066 G HA3 -0.203 3.757 3.960 0.001 0.000 0.686 1066 G C -0.402 174.490 174.900 -0.014 0.000 1.153 1066 G CA -0.142 44.943 45.100 -0.025 0.000 0.853 1066 G HN 0.411 nan 8.290 nan 0.000 0.582 1067 N N 0.541 119.237 118.700 -0.007 0.000 2.519 1067 N HA -0.042 4.698 4.740 0.001 0.000 0.186 1067 N C 1.929 177.441 175.510 0.004 0.000 1.062 1067 N CA 1.074 54.126 53.050 0.003 0.000 0.910 1067 N CB 0.116 38.603 38.487 -0.000 0.000 0.958 1067 N HN 0.750 nan 8.380 nan 0.000 0.445 1068 D N 0.233 120.627 120.400 -0.010 0.000 2.348 1068 D HA -0.097 4.543 4.640 0.001 0.000 0.216 1068 D C 0.015 176.309 176.300 -0.011 0.000 0.970 1068 D CA 0.658 54.651 54.000 -0.011 0.000 0.889 1068 D CB 0.087 40.874 40.800 -0.021 0.000 0.912 1068 D HN -0.019 nan 8.370 nan 0.000 0.524 1069 K N 1.249 121.638 120.400 -0.019 0.000 2.298 1069 K HA 0.269 4.589 4.320 0.001 0.000 0.280 1069 K C 0.356 176.985 176.600 0.049 0.000 1.032 1069 K CA 0.018 56.303 56.287 -0.003 0.000 0.958 1069 K CB 1.216 33.703 32.500 -0.022 0.000 0.978 1069 K HN 0.311 nan 8.250 nan 0.000 0.472 1070 Q N -0.039 119.795 119.800 0.058 0.000 2.423 1070 Q HA 0.484 4.824 4.340 0.001 0.000 0.278 1070 Q C 0.466 176.504 176.000 0.062 0.000 1.097 1070 Q CA -0.672 55.166 55.803 0.059 0.000 0.809 1070 Q CB 2.086 30.848 28.738 0.040 0.000 1.391 1070 Q HN 0.747 nan 8.270 nan 0.000 0.428 1071 G N 1.738 110.571 108.800 0.055 0.000 2.661 1071 G HA2 -0.464 3.496 3.960 0.001 0.000 0.327 1071 G HA3 -0.464 3.496 3.960 0.001 0.000 0.327 1071 G C 0.828 175.756 174.900 0.047 0.000 1.320 1071 G CA 1.148 46.273 45.100 0.042 0.000 0.997 1071 G HN 0.884 nan 8.290 nan 0.000 0.543 1072 Q N -0.855 118.968 119.800 0.038 0.000 2.234 1072 Q HA -0.051 4.289 4.340 0.001 0.000 0.206 1072 Q C 2.502 178.559 176.000 0.095 0.000 0.980 1072 Q CA 2.228 58.058 55.803 0.045 0.000 0.869 1072 Q CB -0.211 28.542 28.738 0.025 0.000 0.912 1072 Q HN 0.540 nan 8.270 nan 0.000 0.436 1073 M N 0.729 120.399 119.600 0.117 0.000 2.229 1073 M HA -0.040 4.441 4.480 0.001 0.000 0.264 1073 M C 2.119 178.622 176.300 0.339 0.000 1.063 1073 M CA 0.997 56.441 55.300 0.240 0.000 1.114 1073 M CB -0.691 32.035 32.600 0.211 0.000 1.387 1073 M HN 0.293 nan 8.290 nan 0.000 0.420 1074 I N -0.467 120.222 120.570 0.197 0.000 2.118 1074 I HA -0.304 3.867 4.170 0.001 0.000 0.241 1074 I C 2.342 178.531 176.117 0.120 0.000 1.070 1074 I CA 1.195 62.598 61.300 0.171 0.000 1.327 1074 I CB -0.572 37.505 38.000 0.127 0.000 1.034 1074 I HN 0.031 nan 8.210 nan 0.000 0.405 1075 V N 0.620 120.567 119.914 0.056 0.000 2.343 1075 V HA -0.307 3.814 4.120 0.001 0.000 0.247 1075 V C 2.263 178.374 176.094 0.029 0.000 1.051 1075 V CA 2.006 64.298 62.300 -0.013 0.000 1.036 1075 V CB -0.803 31.006 31.823 -0.023 0.000 0.654 1075 V HN 0.383 nan 8.190 nan 0.000 0.451 1076 F N 1.142 121.069 119.950 -0.037 0.000 2.095 1076 F HA -0.248 4.280 4.527 0.001 0.000 0.298 1076 F C 2.362 178.074 175.800 -0.145 0.000 1.104 1076 F CA 2.400 60.337 58.000 -0.105 0.000 1.232 1076 F CB -0.455 38.460 39.000 -0.140 0.000 0.987 1076 F HN 0.253 nan 8.300 nan 0.000 0.475 1077 H N -0.845 118.239 119.070 0.023 0.000 2.428 1077 H HA -0.056 4.500 4.556 0.000 0.000 0.296 1077 H C 1.899 177.159 175.328 -0.113 0.000 1.062 1077 H CA 1.359 57.364 56.048 -0.073 0.000 1.350 1077 H CB -0.299 29.526 29.762 0.105 0.000 1.403 1077 H HN 0.310 nan 8.280 nan 0.000 0.533 1078 L N 0.538 121.770 121.223 0.014 0.000 2.017 1078 L HA -0.125 4.215 4.340 0.001 0.000 0.208 1078 L C 1.892 178.661 176.870 -0.169 0.000 1.073 1078 L CA 1.469 56.257 54.840 -0.086 0.000 0.745 1078 L CB -0.600 41.361 42.059 -0.164 0.000 0.894 1078 L HN 0.286 nan 8.230 nan 0.000 0.432 1079 I N -0.540 119.902 120.570 -0.214 0.000 2.163 1079 I HA -0.271 3.899 4.170 0.001 0.000 0.243 1079 I C 2.431 178.402 176.117 -0.243 0.000 1.085 1079 I CA 1.196 62.353 61.300 -0.240 0.000 1.347 1079 I CB -0.412 37.437 38.000 -0.252 0.000 1.044 1079 I HN 0.306 nan 8.210 nan 0.000 0.408 1080 E N 0.411 120.410 120.200 -0.335 0.000 2.072 1080 E HA -0.216 4.134 4.350 0.001 0.000 0.191 1080 E C 2.091 178.614 176.600 -0.128 0.000 0.985 1080 E CA 1.040 57.270 56.400 -0.283 0.000 0.801 1080 E CB -0.515 28.934 29.700 -0.418 0.000 0.750 1080 E HN 0.339 nan 8.360 nan 0.000 0.452 1081 L N 0.864 122.042 121.223 -0.075 0.000 1.989 1081 L HA -0.179 4.161 4.340 0.001 0.000 0.211 1081 L C 2.312 179.193 176.870 0.019 0.000 1.071 1081 L CA 1.568 56.412 54.840 0.007 0.000 0.749 1081 L CB -0.560 41.538 42.059 0.066 0.000 0.890 1081 L HN 0.075 nan 8.230 nan 0.000 0.431 1082 L N -0.524 120.695 121.223 -0.007 0.000 2.083 1082 L HA -0.233 4.107 4.340 0.001 0.000 0.209 1082 L C 2.643 179.534 176.870 0.035 0.000 1.083 1082 L CA 1.637 56.502 54.840 0.043 0.000 0.752 1082 L CB -0.691 41.361 42.059 -0.011 0.000 0.899 1082 L HN 0.360 nan 8.230 nan 0.000 0.433 1083 K N 0.355 120.737 120.400 -0.029 0.000 2.152 1083 K HA -0.157 4.163 4.320 0.001 0.000 0.206 1083 K C 1.183 177.781 176.600 -0.002 0.000 1.048 1083 K CA 1.273 57.542 56.287 -0.029 0.000 0.933 1083 K CB 0.064 32.520 32.500 -0.074 0.000 0.721 1083 K HN 0.328 nan 8.250 nan 0.000 0.447 1084 N N 1.569 120.270 118.700 0.002 0.000 2.313 1084 N HA 0.004 4.745 4.740 0.001 0.000 0.207 1084 N C -0.603 174.929 175.510 0.036 0.000 1.141 1084 N CA 0.142 53.201 53.050 0.015 0.000 0.830 1084 N CB 0.383 38.874 38.487 0.007 0.000 1.008 1084 N HN 0.219 nan 8.380 nan 0.000 0.481 1085 N N 0.124 118.858 118.700 0.056 0.000 2.741 1085 N HA -0.126 4.614 4.740 0.001 0.000 0.251 1085 N C 0.335 175.890 175.510 0.074 0.000 1.112 1085 N CA 0.877 53.973 53.050 0.076 0.000 0.750 1085 N CB -1.336 37.190 38.487 0.064 0.000 1.119 1085 N HN 0.341 nan 8.380 nan 0.000 0.561 1086 G N 0.296 109.141 108.800 0.075 0.000 2.365 1086 G HA2 0.372 4.332 3.960 0.001 0.000 0.249 1086 G HA3 0.372 4.332 3.960 0.001 0.000 0.249 1086 G C 0.384 175.340 174.900 0.094 0.000 1.288 1086 G CA 0.028 45.175 45.100 0.078 0.000 0.887 1086 G HN 0.133 nan 8.290 nan 0.000 0.524 1087 R N 1.089 121.593 120.500 0.008 0.000 2.739 1087 R HA 0.282 4.622 4.340 0.001 0.000 0.271 1087 R C -0.275 175.809 176.300 -0.361 0.000 1.010 1087 R CA -1.043 54.971 56.100 -0.145 0.000 0.897 1087 R CB 1.248 31.505 30.300 -0.070 0.000 1.236 1087 R HN 0.468 nan 8.270 nan 0.000 0.466 1088 L N 3.667 124.422 121.223 -0.779 0.000 2.543 1088 L HA 0.094 4.434 4.340 0.001 0.000 0.285 1088 L C -1.452 175.276 176.870 -0.235 0.000 1.236 1088 L CA -0.866 53.487 54.840 -0.812 0.000 0.871 1088 L CB -0.077 41.144 42.059 -1.396 0.000 1.121 1088 L HN 0.271 nan 8.230 nan 0.000 0.501 1089 P HA 0.080 nan 4.420 nan 0.000 0.276 1089 P C -0.822 176.568 177.300 0.150 0.000 1.252 1089 P CA -0.754 62.380 63.100 0.057 0.000 0.802 1089 P CB 0.584 32.286 31.700 0.004 0.000 1.035 1090 R N 1.690 122.109 120.500 -0.136 0.000 2.484 1090 R HA 0.144 4.485 4.340 0.001 0.000 0.293 1090 R C -2.022 174.170 176.300 -0.180 0.000 1.023 1090 R CA -1.122 54.672 56.100 -0.510 0.000 1.037 1090 R CB -0.686 28.922 30.300 -1.155 0.000 0.951 1090 R HN 0.332 nan 8.270 nan 0.000 0.418 1091 P HA -0.023 nan 4.420 nan 0.000 0.266 1091 P C -1.139 176.119 177.300 -0.069 0.000 1.195 1091 P CA 0.081 63.120 63.100 -0.102 0.000 0.768 1091 P CB 0.437 32.051 31.700 -0.144 0.000 0.838 1092 D N 2.341 122.725 120.400 -0.026 0.000 2.531 1092 D HA 0.170 4.810 4.640 0.001 0.000 0.239 1092 D C 1.650 177.988 176.300 0.063 0.000 1.144 1092 D CA 1.570 55.572 54.000 0.002 0.000 0.869 1092 D CB -0.120 40.688 40.800 0.013 0.000 1.160 1092 D HN 0.697 nan 8.370 nan 0.000 0.484 1093 G N 1.894 110.728 108.800 0.056 0.000 2.179 1093 G HA2 -0.310 3.651 3.960 0.001 0.000 0.260 1093 G HA3 -0.310 3.651 3.960 0.001 0.000 0.260 1093 G C 0.608 175.627 174.900 0.197 0.000 0.977 1093 G CA 0.176 45.356 45.100 0.134 0.000 0.641 1093 G HN 0.749 nan 8.290 nan 0.000 0.533 1094 C N 2.657 121.996 119.300 0.065 0.000 2.629 1094 C HA 0.568 5.028 4.460 0.001 0.000 0.410 1094 C C -1.037 173.903 174.990 -0.084 0.000 1.339 1094 C CA -1.532 57.448 59.018 -0.063 0.000 1.810 1094 C CB -0.072 27.550 27.740 -0.197 0.000 2.549 1094 C HN 0.414 nan 8.230 nan 0.000 0.589 1095 P HA 0.081 nan 4.420 nan 0.000 0.268 1095 P C 0.664 177.916 177.300 -0.081 0.000 1.205 1095 P CA 0.328 63.394 63.100 -0.057 0.000 0.771 1095 P CB 0.454 32.119 31.700 -0.058 0.000 0.858 1096 D N 2.024 122.415 120.400 -0.015 0.000 2.144 1096 D HA -0.186 4.454 4.640 0.001 0.000 0.199 1096 D C 1.238 177.537 176.300 -0.002 0.000 0.984 1096 D CA 1.235 55.255 54.000 0.032 0.000 0.834 1096 D CB 0.289 41.113 40.800 0.040 0.000 0.955 1096 D HN 0.498 nan 8.370 nan 0.000 0.465 1097 E N -0.262 119.913 120.200 -0.042 0.000 2.153 1097 E HA -0.152 4.198 4.350 0.001 0.000 0.194 1097 E C 2.151 178.680 176.600 -0.118 0.000 0.988 1097 E CA 0.424 56.784 56.400 -0.067 0.000 0.811 1097 E CB 0.225 29.896 29.700 -0.049 0.000 0.746 1097 E HN 0.328 nan 8.360 nan 0.000 0.466 1098 I N -0.029 120.432 120.570 -0.182 0.000 2.333 1098 I HA -0.227 3.943 4.170 0.001 0.000 0.246 1098 I C 2.172 178.139 176.117 -0.251 0.000 1.106 1098 I CA 1.143 62.262 61.300 -0.302 0.000 1.411 1098 I CB -1.220 36.390 38.000 -0.650 0.000 1.082 1098 I HN 0.210 nan 8.210 nan 0.000 0.420 1099 Y N 1.560 121.667 120.300 -0.322 0.000 2.165 1099 Y HA -0.287 4.264 4.550 0.001 0.000 0.286 1099 Y C 2.806 178.564 175.900 -0.236 0.000 1.155 1099 Y CA 1.612 59.560 58.100 -0.253 0.000 1.164 1099 Y CB 0.009 38.373 38.460 -0.161 0.000 0.978 1099 Y HN 0.012 nan 8.280 nan 0.000 0.513 1100 M N -0.270 119.173 119.600 -0.261 0.000 2.149 1100 M HA -0.257 4.223 4.480 0.001 0.000 0.261 1100 M C 2.061 178.161 176.300 -0.332 0.000 1.064 1100 M CA 1.714 56.821 55.300 -0.321 0.000 1.102 1100 M CB -0.420 32.075 32.600 -0.176 0.000 1.369 1100 M HN 0.353 nan 8.290 nan 0.000 0.408 1101 I N 0.029 120.433 120.570 -0.277 0.000 2.179 1101 I HA -0.318 3.852 4.170 0.001 0.000 0.242 1101 I C 2.525 178.388 176.117 -0.423 0.000 1.088 1101 I CA 1.364 62.511 61.300 -0.256 0.000 1.357 1101 I CB -0.281 37.633 38.000 -0.145 0.000 1.051 1101 I HN 0.326 nan 8.210 nan 0.000 0.409 1102 M N 0.184 119.432 119.600 -0.586 0.000 2.073 1102 M HA -0.231 4.250 4.480 0.001 0.000 0.258 1102 M C 2.516 177.982 176.300 -1.389 0.000 1.070 1102 M CA 2.647 57.285 55.300 -1.104 0.000 1.103 1102 M CB -0.847 31.108 32.600 -1.076 0.000 1.321 1102 M HN 0.436 nan 8.290 nan 0.000 0.405 1103 T N -2.067 111.951 114.554 -0.893 0.000 2.867 1103 T HA -0.113 4.237 4.350 0.001 0.000 0.268 1103 T C 1.487 175.969 174.700 -0.364 0.000 1.057 1103 T CA 1.430 63.207 62.100 -0.538 0.000 1.136 1103 T CB -0.453 68.112 68.868 -0.505 0.000 0.874 1103 T HN 0.457 nan 8.240 nan 0.000 0.466 1104 E N 0.228 120.210 120.200 -0.364 0.000 2.106 1104 E HA -0.053 4.298 4.350 0.001 0.000 0.192 1104 E C 2.447 178.917 176.600 -0.217 0.000 0.984 1104 E CA 1.253 57.515 56.400 -0.230 0.000 0.806 1104 E CB -0.387 29.199 29.700 -0.191 0.000 0.750 1104 E HN 0.567 nan 8.360 nan 0.000 0.458 1105 C N 0.371 119.457 119.300 -0.356 0.000 2.422 1105 C HA -0.121 4.339 4.460 0.001 0.000 0.279 1105 C C 1.190 176.043 174.990 -0.228 0.000 1.305 1105 C CA 0.086 58.927 59.018 -0.296 0.000 1.757 1105 C CB -0.869 26.633 27.740 -0.396 0.000 1.962 1105 C HN 0.521 nan 8.230 nan 0.000 0.499 1106 W N 2.046 123.078 121.300 -0.446 0.000 3.040 1106 W HA 0.318 4.978 4.660 -0.000 0.000 0.444 1106 W C 0.440 176.824 176.519 -0.224 0.000 0.793 1106 W CA -0.905 55.922 57.345 -0.864 0.000 2.104 1106 W CB -1.597 27.279 29.460 -0.973 0.000 1.060 1106 W HN 0.320 nan 8.180 nan 0.000 0.842 1107 N N 1.423 120.250 118.700 0.211 0.000 2.444 1107 N HA -0.003 4.738 4.740 0.001 0.000 0.271 1107 N C 1.079 176.812 175.510 0.372 0.000 1.069 1107 N CA 0.236 53.425 53.050 0.230 0.000 0.965 1107 N CB 0.731 39.287 38.487 0.115 0.000 1.092 1107 N HN -0.014 nan 8.380 nan 0.000 0.476 1108 N N 1.714 120.587 118.700 0.289 0.000 2.205 1108 N HA -0.161 4.579 4.740 0.001 0.000 0.186 1108 N C 0.109 175.682 175.510 0.104 0.000 1.015 1108 N CA 0.786 53.950 53.050 0.191 0.000 0.862 1108 N CB -0.238 38.316 38.487 0.112 0.000 0.986 1108 N HN 0.573 nan 8.380 nan 0.000 0.429 1109 N N 1.370 120.126 118.700 0.093 0.000 2.402 1109 N HA 0.014 4.754 4.740 0.001 0.000 0.252 1109 N C 1.111 176.657 175.510 0.059 0.000 1.118 1109 N CA -0.021 53.060 53.050 0.052 0.000 0.945 1109 N CB 0.949 39.458 38.487 0.036 0.000 1.147 1109 N HN -0.211 nan 8.380 nan 0.000 0.495 1110 V N 3.833 123.771 119.914 0.039 0.000 2.282 1110 V HA -0.274 3.846 4.120 0.001 0.000 0.249 1110 V C 1.851 177.962 176.094 0.029 0.000 1.057 1110 V CA 1.537 63.860 62.300 0.038 0.000 1.032 1110 V CB -0.396 31.428 31.823 0.001 0.000 0.645 1110 V HN 0.680 nan 8.190 nan 0.000 0.447 1111 N N -0.251 118.458 118.700 0.014 0.000 2.453 1111 N HA -0.118 4.623 4.740 0.001 0.000 0.183 1111 N C 1.770 177.281 175.510 0.002 0.000 1.041 1111 N CA 0.829 53.883 53.050 0.005 0.000 0.900 1111 N CB -0.149 38.338 38.487 0.001 0.000 0.961 1111 N HN 0.628 nan 8.380 nan 0.000 0.443 1112 Q N 0.045 119.851 119.800 0.010 0.000 2.425 1112 Q HA 0.124 4.465 4.340 0.001 0.000 0.204 1112 Q C 0.109 176.105 176.000 -0.006 0.000 0.933 1112 Q CA 0.030 55.834 55.803 0.002 0.000 0.939 1112 Q CB 0.489 29.232 28.738 0.009 0.000 1.044 1112 Q HN 0.262 nan 8.270 nan 0.000 0.513 1113 R N 2.275 122.778 120.500 0.005 0.000 2.590 1113 R HA 0.113 4.454 4.340 0.001 0.000 0.274 1113 R C -2.122 174.139 176.300 -0.066 0.000 1.061 1113 R CA -1.282 54.808 56.100 -0.017 0.000 1.081 1113 R CB -0.095 30.220 30.300 0.025 0.000 0.984 1113 R HN 0.028 nan 8.270 nan 0.000 0.448 1114 P HA -0.031 nan 4.420 nan 0.000 0.271 1114 P C -0.565 176.624 177.300 -0.185 0.000 1.233 1114 P CA -0.243 62.783 63.100 -0.124 0.000 0.789 1114 P CB 0.666 32.288 31.700 -0.131 0.000 0.951 1115 S N -0.069 115.543 115.700 -0.148 0.000 2.610 1115 S HA 0.258 4.729 4.470 0.001 0.000 0.273 1115 S C 0.952 175.438 174.600 -0.189 0.000 1.274 1115 S CA -0.432 57.676 58.200 -0.153 0.000 1.023 1115 S CB 0.155 63.325 63.200 -0.050 0.000 0.962 1115 S HN 0.198 nan 8.310 nan 0.000 0.523 1116 F N 0.966 120.863 119.950 -0.087 0.000 2.216 1116 F HA 0.051 4.579 4.527 0.001 0.000 0.300 1116 F C 2.688 178.425 175.800 -0.104 0.000 1.085 1116 F CA 1.368 59.279 58.000 -0.149 0.000 1.326 1116 F CB -0.472 38.443 39.000 -0.143 0.000 1.027 1116 F HN 0.705 nan 8.300 nan 0.000 0.497 1117 R N 0.582 121.152 120.500 0.116 0.000 2.083 1117 R HA -0.174 4.166 4.340 0.001 0.000 0.237 1117 R C 1.729 178.048 176.300 0.031 0.000 1.137 1117 R CA 2.175 58.313 56.100 0.064 0.000 0.951 1117 R CB -0.438 29.891 30.300 0.048 0.000 0.851 1117 R HN 0.126 nan 8.270 nan 0.000 0.434 1118 D N 0.594 120.996 120.400 0.003 0.000 2.144 1118 D HA -0.113 4.527 4.640 0.001 0.000 0.200 1118 D C 2.077 178.367 176.300 -0.016 0.000 0.978 1118 D CA 1.009 55.002 54.000 -0.012 0.000 0.833 1118 D CB -0.141 40.641 40.800 -0.030 0.000 0.961 1118 D HN 0.278 nan 8.370 nan 0.000 0.470 1119 L N 0.769 121.970 121.223 -0.037 0.000 2.042 1119 L HA -0.171 4.169 4.340 0.001 0.000 0.210 1119 L C 2.550 179.428 176.870 0.014 0.000 1.076 1119 L CA 1.220 56.042 54.840 -0.031 0.000 0.749 1119 L CB -0.450 41.536 42.059 -0.120 0.000 0.893 1119 L HN -0.023 nan 8.230 nan 0.000 0.432 1120 A N 0.073 122.908 122.820 0.024 0.000 1.902 1120 A HA -0.174 4.146 4.320 0.001 0.000 0.217 1120 A C 2.266 179.875 177.584 0.042 0.000 1.181 1120 A CA 1.480 53.544 52.037 0.044 0.000 0.623 1120 A CB -0.703 18.327 19.000 0.050 0.000 0.818 1120 A HN 0.335 nan 8.150 nan 0.000 0.443 1121 L N -1.056 120.185 121.223 0.031 0.000 2.017 1121 L HA -0.214 4.126 4.340 0.001 0.000 0.208 1121 L C 2.905 179.788 176.870 0.023 0.000 1.073 1121 L CA 1.727 56.582 54.840 0.025 0.000 0.745 1121 L CB -0.420 41.649 42.059 0.017 0.000 0.894 1121 L HN 0.342 nan 8.230 nan 0.000 0.432 1122 R N -0.885 119.625 120.500 0.017 0.000 2.081 1122 R HA -0.134 4.207 4.340 0.001 0.000 0.235 1122 R C 2.208 178.524 176.300 0.027 0.000 1.131 1122 R CA 1.321 57.429 56.100 0.013 0.000 0.960 1122 R CB -0.536 29.765 30.300 0.001 0.000 0.856 1122 R HN 0.179 nan 8.270 nan 0.000 0.436 1123 V N 1.427 121.370 119.914 0.049 0.000 2.358 1123 V HA -0.226 3.894 4.120 0.001 0.000 0.246 1123 V C 1.512 177.641 176.094 0.060 0.000 1.047 1123 V CA 1.905 64.247 62.300 0.071 0.000 1.035 1123 V CB -0.412 31.484 31.823 0.122 0.000 0.658 1123 V HN 0.247 nan 8.190 nan 0.000 0.452 1124 D N -0.618 119.814 120.400 0.052 0.000 2.144 1124 D HA -0.180 4.461 4.640 0.001 0.000 0.199 1124 D C 2.186 178.505 176.300 0.033 0.000 0.984 1124 D CA 1.215 55.241 54.000 0.043 0.000 0.834 1124 D CB -0.195 40.628 40.800 0.039 0.000 0.955 1124 D HN 0.390 nan 8.370 nan 0.000 0.465 1125 Q N 0.510 120.326 119.800 0.027 0.000 2.050 1125 Q HA -0.059 4.281 4.340 0.001 0.000 0.202 1125 Q C 2.117 178.131 176.000 0.022 0.000 0.980 1125 Q CA 1.100 56.916 55.803 0.020 0.000 0.840 1125 Q CB -0.409 28.337 28.738 0.014 0.000 0.898 1125 Q HN 0.340 nan 8.270 nan 0.000 0.424 1126 I N -0.115 120.470 120.570 0.025 0.000 2.208 1126 I HA -0.331 3.839 4.170 0.001 0.000 0.245 1126 I C 2.338 178.477 176.117 0.037 0.000 1.097 1126 I CA 1.443 62.759 61.300 0.027 0.000 1.363 1126 I CB -0.281 37.733 38.000 0.023 0.000 1.051 1126 I HN 0.183 nan 8.210 nan 0.000 0.413 1127 R N 0.341 120.866 120.500 0.043 0.000 2.091 1127 R HA -0.204 4.137 4.340 0.001 0.000 0.238 1127 R C 2.098 178.417 176.300 0.032 0.000 1.136 1127 R CA 1.712 57.837 56.100 0.042 0.000 0.959 1127 R CB -0.478 29.846 30.300 0.040 0.000 0.856 1127 R HN 0.334 nan 8.270 nan 0.000 0.437 1128 D N 0.490 120.906 120.400 0.027 0.000 2.117 1128 D HA -0.126 4.514 4.640 0.001 0.000 0.197 1128 D C 1.384 177.696 176.300 0.020 0.000 0.987 1128 D CA 1.126 55.139 54.000 0.021 0.000 0.829 1128 D CB -0.130 40.680 40.800 0.018 0.000 0.961 1128 D HN 0.102 nan 8.370 nan 0.000 0.460 1129 N N -0.180 118.532 118.700 0.021 0.000 2.188 1129 N HA -0.086 4.655 4.740 0.001 0.000 0.184 1129 N C 1.959 177.483 175.510 0.024 0.000 1.018 1129 N CA 0.689 53.751 53.050 0.020 0.000 0.858 1129 N CB -0.316 38.182 38.487 0.019 0.000 0.989 1129 N HN 0.356 nan 8.380 nan 0.000 0.426 1130 M N 0.191 119.811 119.600 0.032 0.000 2.200 1130 M HA 0.046 4.526 4.480 0.001 0.000 0.265 1130 M C 1.038 177.355 176.300 0.029 0.000 1.066 1130 M CA 0.496 55.819 55.300 0.038 0.000 1.127 1130 M CB -0.021 32.614 32.600 0.058 0.000 1.379 1130 M HN 0.044 nan 8.290 nan 0.000 0.420 1131 A N 0.000 122.835 122.820 0.025 0.000 2.254 1131 A HA 0.000 4.320 4.320 0.001 0.000 0.244 1131 A CA 0.000 52.048 52.037 0.018 0.000 0.836 1131 A CB 0.000 19.009 19.000 0.016 0.000 0.831 1131 A HN 0.000 nan 8.150 nan 0.000 0.486