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 2hn2_1_A DATA FIRST_RESID 1009 DATA SEQUENCE KKGLPPGTLV YTGKYREDFE IEVMNYSIEE FREFKTTDVE SVLPFRDSST DATA SEQUENCE PTWINITGIH RTDVVQRVGE FFGIHPLVLE DILNVHQRPK VEFFENYVFI DATA SEQUENCE VLKMFTYDKN LHELESEQVS LILTKNCVLM FQEKIGDVFD PVRERIRYNR DATA SEQUENCE GIIRKKRADY LLYSLIDALV DDYFVLLEKI DDEIDVLEEE VLERPEKETV DATA SEQUENCE QRTHQLKRNL VELRKTIWPL REVLSSLYRD VPPLIEKETV PYFRDVYDHT DATA SEQUENCE IQIADTVETF RDIVSGLLDV YLSSVSNKTN EVMKVLTIIA TIFMPLTFIA DATA SEQUENCE GIYGMNFXXX XXXXXXXGYP VVLAVMGVIA VIMVVYFKKK K 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 1009 K HA 0.000 nan 4.320 nan 0.000 0.191 1009 K C 0.000 176.628 176.600 0.046 0.000 0.988 1009 K CA 0.000 56.295 56.287 0.014 0.000 0.838 1009 K CB 0.000 32.514 32.500 0.023 0.000 1.064 1010 K N -0.195 120.225 120.400 0.034 0.000 2.400 1010 K HA 0.689 5.009 4.320 0.001 0.000 0.246 1010 K C -0.301 176.322 176.600 0.038 0.000 0.995 1010 K CA -0.733 55.578 56.287 0.039 0.000 0.840 1010 K CB 1.635 34.149 32.500 0.024 0.000 1.293 1010 K HN 0.719 nan 8.250 nan 0.000 0.445 1011 G N -0.084 108.740 108.800 0.040 0.000 2.537 1011 G HA2 0.646 4.606 3.960 0.001 0.000 0.323 1011 G HA3 0.646 4.606 3.960 0.001 0.000 0.323 1011 G C -0.055 174.863 174.900 0.030 0.000 1.207 1011 G CA -0.588 44.533 45.100 0.035 0.000 0.976 1011 G HN 0.383 nan 8.290 nan 0.000 0.487 1012 L N -0.293 120.947 121.223 0.028 0.000 3.515 1012 L HA 0.210 4.550 4.340 0.001 0.000 0.322 1012 L C -1.541 175.343 176.870 0.024 0.000 1.225 1012 L CA -0.488 54.367 54.840 0.024 0.000 1.104 1012 L CB 0.546 42.617 42.059 0.021 0.000 1.506 1012 L HN 0.352 nan 8.230 nan 0.000 0.624 1013 P HA 0.289 nan 4.420 nan 0.000 0.293 1013 P C -1.893 175.423 177.300 0.025 0.000 1.298 1013 P CA -0.649 62.465 63.100 0.024 0.000 0.757 1013 P CB -0.241 31.474 31.700 0.024 0.000 1.262 1014 P HA 0.218 nan 4.420 nan 0.000 0.257 1014 P C 0.305 177.623 177.300 0.029 0.000 1.241 1014 P CA 0.373 63.489 63.100 0.026 0.000 0.816 1014 P CB 0.430 32.144 31.700 0.023 0.000 1.150 1015 G N -0.162 108.656 108.800 0.029 0.000 2.828 1015 G HA2 -0.054 3.906 3.960 0.001 0.000 0.226 1015 G HA3 -0.054 3.906 3.960 0.001 0.000 0.226 1015 G C 0.230 175.144 174.900 0.024 0.000 1.090 1015 G CA 0.006 45.124 45.100 0.031 0.000 1.035 1015 G HN 0.421 nan 8.290 nan 0.000 0.578 1016 T N -1.296 113.272 114.554 0.023 0.000 3.449 1016 T HA 0.630 4.980 4.350 0.001 0.000 0.387 1016 T C 0.435 175.146 174.700 0.018 0.000 1.222 1016 T CA -0.099 62.012 62.100 0.019 0.000 1.008 1016 T CB 0.744 69.625 68.868 0.021 0.000 1.688 1016 T HN 0.282 nan 8.240 nan 0.000 0.542 1017 L N 2.219 123.454 121.223 0.020 0.000 2.529 1017 L HA 0.413 4.754 4.340 0.001 0.000 0.246 1017 L C -0.215 176.682 176.870 0.045 0.000 1.394 1017 L CA -0.709 54.144 54.840 0.021 0.000 0.906 1017 L CB 0.188 42.249 42.059 0.004 0.000 1.170 1017 L HN 0.686 nan 8.230 nan 0.000 0.501 1018 V N -0.837 119.112 119.914 0.059 0.000 2.532 1018 V HA 0.492 4.612 4.120 0.001 0.000 0.295 1018 V C -0.564 175.610 176.094 0.132 0.000 1.041 1018 V CA -0.937 61.414 62.300 0.085 0.000 0.926 1018 V CB 1.895 33.755 31.823 0.061 0.000 0.992 1018 V HN 0.459 nan 8.190 nan 0.000 0.457 1019 Y N 3.878 124.194 120.300 0.027 0.000 2.385 1019 Y HA 0.458 5.008 4.550 0.001 0.000 0.341 1019 Y C 1.409 177.333 175.900 0.040 0.000 0.965 1019 Y CA -0.111 58.009 58.100 0.032 0.000 1.180 1019 Y CB 1.679 40.173 38.460 0.058 0.000 1.139 1019 Y HN 0.944 nan 8.280 nan 0.000 0.502 1020 T N 1.130 115.432 114.554 -0.420 0.000 3.043 1020 T HA 0.202 4.553 4.350 0.001 0.000 0.263 1020 T C 1.133 175.487 174.700 -0.578 0.000 1.094 1020 T CA 0.405 62.287 62.100 -0.363 0.000 1.127 1020 T CB -0.455 68.298 68.868 -0.191 0.000 0.905 1020 T HN 0.751 nan 8.240 nan 0.000 0.490 1021 G N 1.011 109.117 108.800 -1.156 0.000 2.664 1021 G HA2 0.344 4.304 3.960 0.001 0.000 0.242 1021 G HA3 0.344 4.304 3.960 0.001 0.000 0.242 1021 G C -0.197 174.489 174.900 -0.358 0.000 1.225 1021 G CA -0.769 43.879 45.100 -0.754 0.000 0.849 1021 G HN 0.445 nan 8.290 nan 0.000 0.581 1022 K N 0.551 121.020 120.400 0.114 0.000 3.167 1022 K HA 0.197 4.517 4.320 0.001 0.000 0.208 1022 K C -1.373 175.258 176.600 0.052 0.000 1.159 1022 K CA -0.034 56.307 56.287 0.090 0.000 1.018 1022 K CB 0.720 33.215 32.500 -0.008 0.000 0.927 1022 K HN 0.514 nan 8.250 nan 0.000 0.476 1023 Y N 0.401 120.832 120.300 0.218 0.000 2.705 1023 Y HA 0.262 4.813 4.550 0.001 0.000 0.355 1023 Y C 0.434 176.380 175.900 0.075 0.000 1.039 1023 Y CA -0.785 57.408 58.100 0.154 0.000 1.233 1023 Y CB 0.948 39.515 38.460 0.180 0.000 1.103 1023 Y HN 0.010 nan 8.280 nan 0.000 0.624 1024 R N 0.701 121.197 120.500 -0.006 0.000 2.586 1024 R HA 0.151 4.492 4.340 0.001 0.000 0.306 1024 R C 0.528 176.553 176.300 -0.458 0.000 1.079 1024 R CA 0.069 55.937 56.100 -0.386 0.000 1.083 1024 R CB 0.479 30.656 30.300 -0.205 0.000 1.306 1024 R HN 0.545 nan 8.270 nan 0.000 0.567 1025 E N 0.434 120.529 120.200 -0.176 0.000 2.330 1025 E HA 0.069 4.419 4.350 0.001 0.000 0.200 1025 E C -0.176 176.471 176.600 0.079 0.000 0.922 1025 E CA 0.637 57.012 56.400 -0.042 0.000 0.935 1025 E CB 0.674 30.384 29.700 0.016 0.000 0.917 1025 E HN 0.265 nan 8.360 nan 0.000 0.491 1026 D N -0.130 120.379 120.400 0.183 0.000 2.252 1026 D HA 0.372 5.012 4.640 0.001 0.000 0.245 1026 D C -1.013 175.553 176.300 0.445 0.000 1.009 1026 D CA -0.421 53.731 54.000 0.253 0.000 0.870 1026 D CB 1.950 42.854 40.800 0.173 0.000 1.251 1026 D HN -0.151 nan 8.370 nan 0.000 0.460 1027 F N 1.344 121.370 119.950 0.128 0.000 2.689 1027 F HA 0.240 4.767 4.527 0.001 0.000 0.332 1027 F C -1.396 174.409 175.800 0.008 0.000 1.209 1027 F CA -0.486 57.541 58.000 0.046 0.000 1.028 1027 F CB 1.406 40.417 39.000 0.018 0.000 1.291 1027 F HN 0.256 nan 8.300 nan 0.000 0.500 1028 E N 7.659 127.511 120.200 -0.581 0.000 2.499 1028 E HA 0.326 4.677 4.350 0.001 0.000 0.327 1028 E C -1.627 174.670 176.600 -0.505 0.000 0.929 1028 E CA -0.282 55.834 56.400 -0.472 0.000 0.788 1028 E CB 0.984 30.556 29.700 -0.213 0.000 1.452 1028 E HN 0.648 nan 8.360 nan 0.000 0.387 1029 I N 3.675 123.899 120.570 -0.577 0.000 2.308 1029 I HA 0.185 4.356 4.170 0.001 0.000 0.293 1029 I C 0.395 176.260 176.117 -0.420 0.000 1.078 1029 I CA 0.018 61.047 61.300 -0.451 0.000 1.292 1029 I CB 0.781 38.559 38.000 -0.370 0.000 1.423 1029 I HN 0.432 nan 8.210 nan 0.000 0.493 1030 E N 6.168 126.076 120.200 -0.487 0.000 2.204 1030 E HA 0.596 4.947 4.350 0.001 0.000 0.276 1030 E C -1.457 174.666 176.600 -0.795 0.000 0.974 1030 E CA -0.632 55.396 56.400 -0.619 0.000 0.815 1030 E CB 1.992 31.355 29.700 -0.562 0.000 1.119 1030 E HN 0.326 nan 8.360 nan 0.000 0.393 1031 V N 4.960 124.272 119.914 -1.004 0.000 2.789 1031 V HA 0.404 4.525 4.120 0.001 0.000 0.311 1031 V C -0.257 175.400 176.094 -0.728 0.000 1.073 1031 V CA -0.682 61.051 62.300 -0.945 0.000 0.921 1031 V CB 1.892 33.062 31.823 -1.088 0.000 1.009 1031 V HN 0.778 nan 8.190 nan 0.000 0.426 1032 M N 4.279 123.601 119.600 -0.463 0.000 1.960 1032 M HA 0.354 4.834 4.480 0.001 0.000 0.271 1032 M C -0.386 175.981 176.300 0.111 0.000 0.862 1032 M CA -0.014 55.210 55.300 -0.126 0.000 0.854 1032 M CB 1.048 33.582 32.600 -0.109 0.000 1.575 1032 M HN 0.749 nan 8.290 nan 0.000 0.375 1033 N N 3.166 121.931 118.700 0.109 0.000 2.444 1033 N HA 0.413 5.154 4.740 0.001 0.000 0.271 1033 N C -1.700 174.037 175.510 0.378 0.000 1.069 1033 N CA -0.199 52.978 53.050 0.212 0.000 0.965 1033 N CB 0.915 39.585 38.487 0.305 0.000 1.092 1033 N HN 0.526 nan 8.380 nan 0.000 0.476 1034 Y N 0.719 121.124 120.300 0.174 0.000 2.534 1034 Y HA 0.535 5.086 4.550 0.001 0.000 0.345 1034 Y C -0.787 175.193 175.900 0.134 0.000 1.031 1034 Y CA -1.071 57.142 58.100 0.188 0.000 1.022 1034 Y CB 0.795 39.349 38.460 0.157 0.000 1.292 1034 Y HN 0.394 nan 8.280 nan 0.000 0.459 1035 S N 1.784 117.613 115.700 0.215 0.000 2.801 1035 S HA 0.490 4.961 4.470 0.001 0.000 0.312 1035 S C 0.530 175.240 174.600 0.184 0.000 1.112 1035 S CA -0.802 57.459 58.200 0.103 0.000 0.943 1035 S CB 0.798 64.049 63.200 0.085 0.000 1.269 1035 S HN 0.801 nan 8.310 nan 0.000 0.558 1036 I N 0.132 120.766 120.570 0.106 0.000 2.800 1036 I HA -0.044 4.126 4.170 0.001 0.000 0.266 1036 I C 2.122 178.306 176.117 0.113 0.000 1.249 1036 I CA 1.319 62.680 61.300 0.100 0.000 1.458 1036 I CB -0.408 37.623 38.000 0.051 0.000 1.093 1036 I HN 0.613 nan 8.210 nan 0.000 0.466 1037 E N 0.419 120.695 120.200 0.128 0.000 2.399 1037 E HA 0.072 4.423 4.350 0.001 0.000 0.206 1037 E C 0.338 177.022 176.600 0.141 0.000 0.812 1037 E CA 0.408 56.875 56.400 0.112 0.000 1.138 1037 E CB 0.608 30.354 29.700 0.077 0.000 1.140 1037 E HN 0.622 nan 8.360 nan 0.000 0.536 1038 E N -1.457 118.852 120.200 0.183 0.000 2.442 1038 E HA 0.563 4.914 4.350 0.001 0.000 0.271 1038 E C -0.897 175.911 176.600 0.348 0.000 1.002 1038 E CA -1.043 55.473 56.400 0.194 0.000 0.864 1038 E CB 1.210 30.955 29.700 0.075 0.000 1.573 1038 E HN -0.025 nan 8.360 nan 0.000 0.456 1039 F N -1.855 118.174 119.950 0.132 0.000 2.770 1039 F HA 0.816 5.343 4.527 0.001 0.000 0.313 1039 F C -1.556 174.316 175.800 0.120 0.000 1.154 1039 F CA -0.990 57.103 58.000 0.154 0.000 0.923 1039 F CB 1.140 40.232 39.000 0.153 0.000 1.301 1039 F HN 0.506 nan 8.300 nan 0.000 0.449 1040 R N 0.649 121.302 120.500 0.256 0.000 2.930 1040 R HA 0.742 5.082 4.340 0.001 0.000 0.257 1040 R C -1.565 174.959 176.300 0.373 0.000 1.107 1040 R CA -0.998 55.195 56.100 0.155 0.000 0.999 1040 R CB 1.942 32.356 30.300 0.190 0.000 1.209 1040 R HN 0.825 nan 8.270 nan 0.000 0.486 1041 E N 0.616 120.975 120.200 0.265 0.000 2.335 1041 E HA 0.547 4.897 4.350 0.001 0.000 0.280 1041 E C -1.313 175.393 176.600 0.177 0.000 0.918 1041 E CA -0.891 55.583 56.400 0.123 0.000 0.765 1041 E CB 1.823 31.583 29.700 0.099 0.000 1.218 1041 E HN 0.403 nan 8.360 nan 0.000 0.425 1042 F N -0.930 118.981 119.950 -0.065 0.000 2.711 1042 F HA 0.643 5.170 4.527 0.001 0.000 0.313 1042 F C -1.053 174.678 175.800 -0.115 0.000 1.141 1042 F CA -1.218 56.741 58.000 -0.068 0.000 0.941 1042 F CB 1.896 40.874 39.000 -0.037 0.000 1.349 1042 F HN 0.262 nan 8.300 nan 0.000 0.464 1043 K N 1.197 121.644 120.400 0.079 0.000 3.022 1043 K HA 0.218 4.538 4.320 0.001 0.000 0.178 1043 K C -0.508 176.106 176.600 0.024 0.000 1.089 1043 K CA -0.358 55.894 56.287 -0.058 0.000 0.916 1043 K CB 1.280 33.731 32.500 -0.081 0.000 1.159 1043 K HN 0.768 nan 8.250 nan 0.000 0.592 1044 T N 0.474 115.119 114.554 0.153 0.000 2.901 1044 T HA 0.013 4.363 4.350 0.001 0.000 0.301 1044 T C 1.313 175.998 174.700 -0.025 0.000 1.012 1044 T CA 0.243 62.417 62.100 0.124 0.000 1.135 1044 T CB 0.700 69.715 68.868 0.245 0.000 0.936 1044 T HN 0.505 nan 8.240 nan 0.000 0.539 1045 T N 1.045 115.594 114.554 -0.008 0.000 3.145 1045 T HA 0.221 4.572 4.350 0.001 0.000 0.255 1045 T C 0.188 174.971 174.700 0.139 0.000 1.039 1045 T CA -0.500 61.587 62.100 -0.021 0.000 0.928 1045 T CB -0.089 68.819 68.868 0.066 0.000 1.029 1045 T HN 0.593 nan 8.240 nan 0.000 0.554 1046 D N 0.561 121.020 120.400 0.097 0.000 2.210 1046 D HA 0.288 4.928 4.640 0.001 0.000 0.249 1046 D C 1.284 177.653 176.300 0.116 0.000 1.078 1046 D CA -0.450 53.616 54.000 0.110 0.000 0.875 1046 D CB 1.907 42.748 40.800 0.069 0.000 1.175 1046 D HN -0.079 nan 8.370 nan 0.000 0.440 1047 V N 3.836 123.825 119.914 0.124 0.000 2.323 1047 V HA -0.116 4.004 4.120 0.001 0.000 0.244 1047 V C 1.575 177.703 176.094 0.058 0.000 1.041 1047 V CA 1.577 63.943 62.300 0.110 0.000 1.025 1047 V CB -0.399 31.482 31.823 0.097 0.000 0.656 1047 V HN 0.583 nan 8.190 nan 0.000 0.451 1048 E N 1.053 121.268 120.200 0.026 0.000 2.204 1048 E HA -0.087 4.264 4.350 0.001 0.000 0.194 1048 E C 2.191 178.788 176.600 -0.004 0.000 0.989 1048 E CA 1.314 57.699 56.400 -0.025 0.000 0.824 1048 E CB -0.446 29.231 29.700 -0.039 0.000 0.756 1048 E HN 0.849 nan 8.360 nan 0.000 0.477 1049 S N 0.270 116.001 115.700 0.052 0.000 2.727 1049 S HA -0.003 4.467 4.470 0.001 0.000 0.226 1049 S C 1.635 176.385 174.600 0.251 0.000 0.963 1049 S CA 0.667 58.922 58.200 0.091 0.000 0.950 1049 S CB -0.377 62.867 63.200 0.073 0.000 0.779 1049 S HN 0.173 nan 8.310 nan 0.000 0.532 1050 V N -4.174 115.884 119.914 0.241 0.000 3.426 1050 V HA 0.399 4.520 4.120 0.001 0.000 0.279 1050 V C 1.425 177.754 176.094 0.392 0.000 1.544 1050 V CA -0.157 62.395 62.300 0.420 0.000 1.017 1050 V CB -0.517 31.434 31.823 0.213 0.000 0.821 1050 V HN 0.274 nan 8.190 nan 0.000 0.432 1051 L N 1.527 122.803 121.223 0.089 0.000 2.083 1051 L HA 0.101 4.442 4.340 0.001 0.000 0.209 1051 L C 0.054 176.871 176.870 -0.089 0.000 1.083 1051 L CA 2.431 57.160 54.840 -0.185 0.000 0.752 1051 L CB -1.625 39.953 42.059 -0.801 0.000 0.899 1051 L HN 0.347 nan 8.230 nan 0.000 0.433 1052 P HA -0.173 nan 4.420 nan 0.000 0.231 1052 P C 1.269 178.512 177.300 -0.096 0.000 1.158 1052 P CA 1.205 64.246 63.100 -0.098 0.000 0.763 1052 P CB -0.125 31.443 31.700 -0.220 0.000 0.805 1053 F N 0.079 120.099 119.950 0.116 0.000 2.802 1053 F HA 0.135 4.662 4.527 0.001 0.000 0.300 1053 F C 2.612 178.526 175.800 0.190 0.000 1.168 1053 F CA 0.286 58.380 58.000 0.157 0.000 1.433 1053 F CB -0.546 38.568 39.000 0.190 0.000 1.115 1053 F HN -0.156 nan 8.300 nan 0.000 0.582 1054 R N 0.632 121.299 120.500 0.278 0.000 2.120 1054 R HA -0.146 4.194 4.340 0.001 0.000 0.234 1054 R C 0.983 177.335 176.300 0.087 0.000 1.123 1054 R CA 1.925 58.080 56.100 0.091 0.000 0.975 1054 R CB -0.174 29.946 30.300 -0.300 0.000 0.866 1054 R HN 0.222 nan 8.270 nan 0.000 0.446 1055 D N -0.311 120.128 120.400 0.064 0.000 2.379 1055 D HA 0.043 4.683 4.640 0.001 0.000 0.208 1055 D C -0.235 176.091 176.300 0.044 0.000 1.065 1055 D CA 0.136 54.154 54.000 0.030 0.000 0.848 1055 D CB 0.553 41.351 40.800 -0.004 0.000 0.949 1055 D HN 0.010 nan 8.370 nan 0.000 0.509 1056 S N 1.231 116.978 115.700 0.079 0.000 2.589 1056 S HA 0.000 4.471 4.470 0.001 0.000 0.306 1056 S C 1.236 175.881 174.600 0.076 0.000 1.221 1056 S CA -0.066 58.185 58.200 0.084 0.000 1.159 1056 S CB 0.560 63.868 63.200 0.181 0.000 0.990 1056 S HN 0.043 nan 8.310 nan 0.000 0.514 1057 S N 2.655 118.379 115.700 0.039 0.000 2.723 1057 S HA -0.006 4.464 4.470 0.001 0.000 0.231 1057 S C 1.006 175.608 174.600 0.005 0.000 0.967 1057 S CA 0.125 58.337 58.200 0.020 0.000 0.958 1057 S CB -0.422 62.783 63.200 0.008 0.000 0.778 1057 S HN 0.884 nan 8.310 nan 0.000 0.537 1058 T N 0.010 114.572 114.554 0.013 0.000 2.841 1058 T HA 0.444 4.794 4.350 0.001 0.000 0.283 1058 T C -3.374 171.271 174.700 -0.091 0.000 1.000 1058 T CA -2.893 59.182 62.100 -0.041 0.000 0.977 1058 T CB 1.548 70.413 68.868 -0.005 0.000 0.979 1058 T HN -0.300 nan 8.240 nan 0.000 0.446 1059 P HA 0.052 nan 4.420 nan 0.000 0.253 1059 P C 0.374 177.513 177.300 -0.268 0.000 1.159 1059 P CA 0.501 63.376 63.100 -0.375 0.000 0.779 1059 P CB -0.234 30.962 31.700 -0.841 0.000 0.745 1060 T N 0.602 115.138 114.554 -0.030 0.000 2.925 1060 T HA 0.559 4.910 4.350 0.001 0.000 0.285 1060 T C -1.344 173.429 174.700 0.121 0.000 1.021 1060 T CA -0.807 61.323 62.100 0.049 0.000 1.042 1060 T CB 1.174 70.083 68.868 0.068 0.000 1.037 1060 T HN 0.281 nan 8.240 nan 0.000 0.481 1061 W N 4.413 125.631 121.300 -0.137 0.000 2.516 1061 W HA 0.554 5.215 4.660 0.001 0.000 0.293 1061 W C -1.782 174.570 176.519 -0.279 0.000 1.006 1061 W CA -2.541 54.697 57.345 -0.177 0.000 1.483 1061 W CB -0.027 29.355 29.460 -0.128 0.000 1.316 1061 W HN 0.674 nan 8.180 nan 0.000 0.411 1062 I N 5.579 126.089 120.570 -0.100 0.000 2.224 1062 I HA 0.046 4.216 4.170 0.001 0.000 0.293 1062 I C 0.616 176.515 176.117 -0.363 0.000 1.155 1062 I CA -0.323 60.785 61.300 -0.319 0.000 1.297 1062 I CB -0.367 37.480 38.000 -0.255 0.000 1.487 1062 I HN 0.290 nan 8.210 nan 0.000 0.564 1063 N N 6.729 125.119 118.700 -0.517 0.000 2.420 1063 N HA 0.220 4.960 4.740 0.001 0.000 0.262 1063 N C -0.525 174.756 175.510 -0.381 0.000 1.144 1063 N CA -0.018 52.787 53.050 -0.408 0.000 0.952 1063 N CB 0.520 38.691 38.487 -0.527 0.000 1.081 1063 N HN 0.439 nan 8.380 nan 0.000 0.480 1064 I N 3.162 123.521 120.570 -0.351 0.000 2.361 1064 I HA 0.153 4.323 4.170 0.001 0.000 0.282 1064 I C -0.037 176.011 176.117 -0.115 0.000 1.075 1064 I CA -0.629 60.519 61.300 -0.254 0.000 1.205 1064 I CB 0.473 38.348 38.000 -0.208 0.000 1.406 1064 I HN 0.355 nan 8.210 nan 0.000 0.481 1065 T N 3.919 118.385 114.554 -0.147 0.000 2.794 1065 T HA 0.478 4.828 4.350 0.001 0.000 0.296 1065 T C 0.702 175.420 174.700 0.030 0.000 0.949 1065 T CA -0.278 61.794 62.100 -0.048 0.000 1.101 1065 T CB 1.151 69.975 68.868 -0.073 0.000 0.905 1065 T HN 0.969 nan 8.240 nan 0.000 0.516 1066 G N 2.978 111.848 108.800 0.116 0.000 2.980 1066 G HA2 -0.150 3.811 3.960 0.001 0.000 0.255 1066 G HA3 -0.150 3.811 3.960 0.001 0.000 0.255 1066 G C 0.474 175.392 174.900 0.031 0.000 1.020 1066 G CA -0.621 44.594 45.100 0.192 0.000 1.230 1066 G HN 0.796 nan 8.290 nan 0.000 0.580 1067 I N 0.651 121.178 120.570 -0.072 0.000 2.830 1067 I HA -0.118 4.052 4.170 0.001 0.000 0.263 1067 I C 2.482 178.265 176.117 -0.557 0.000 1.230 1067 I CA 1.400 62.573 61.300 -0.211 0.000 1.480 1067 I CB -0.400 37.529 38.000 -0.118 0.000 1.095 1067 I HN 0.778 nan 8.210 nan 0.000 0.455 1068 H N 0.831 119.456 119.070 -0.741 0.000 2.492 1068 H HA -0.058 4.499 4.556 0.001 0.000 0.296 1068 H C 0.991 176.142 175.328 -0.295 0.000 1.095 1068 H CA 0.704 56.324 56.048 -0.713 0.000 1.281 1068 H CB -0.426 29.136 29.762 -0.333 0.000 1.374 1068 H HN 0.072 nan 8.280 nan 0.000 0.545 1069 R N 2.373 122.451 120.500 -0.703 0.000 2.893 1069 R HA 0.007 4.348 4.340 0.001 0.000 0.243 1069 R C 1.025 177.172 176.300 -0.255 0.000 1.481 1069 R CA 0.710 56.513 56.100 -0.495 0.000 1.250 1069 R CB -0.265 29.554 30.300 -0.802 0.000 1.213 1069 R HN 0.717 nan 8.270 nan 0.000 0.609 1070 T N -1.435 113.036 114.554 -0.139 0.000 2.778 1070 T HA -0.240 4.110 4.350 0.001 0.000 0.269 1070 T C 1.236 175.902 174.700 -0.057 0.000 1.050 1070 T CA 1.848 63.910 62.100 -0.063 0.000 1.137 1070 T CB -0.062 68.803 68.868 -0.006 0.000 0.860 1070 T HN 0.514 nan 8.240 nan 0.000 0.468 1071 D N 1.297 121.651 120.400 -0.076 0.000 2.144 1071 D HA -0.078 4.562 4.640 0.001 0.000 0.199 1071 D C 2.007 178.285 176.300 -0.036 0.000 0.984 1071 D CA 0.749 54.716 54.000 -0.055 0.000 0.834 1071 D CB -0.745 40.013 40.800 -0.069 0.000 0.955 1071 D HN 0.401 nan 8.370 nan 0.000 0.465 1072 V N 0.500 120.378 119.914 -0.060 0.000 2.307 1072 V HA -0.208 3.913 4.120 0.001 0.000 0.245 1072 V C 2.623 178.768 176.094 0.084 0.000 1.045 1072 V CA 1.322 63.636 62.300 0.024 0.000 1.024 1072 V CB -0.289 31.571 31.823 0.062 0.000 0.651 1072 V HN 0.215 nan 8.190 nan 0.000 0.449 1073 V N -0.394 119.562 119.914 0.070 0.000 2.427 1073 V HA -0.321 3.799 4.120 0.001 0.000 0.248 1073 V C 2.382 178.503 176.094 0.045 0.000 1.051 1073 V CA 2.208 64.562 62.300 0.091 0.000 1.048 1073 V CB -0.737 31.080 31.823 -0.010 0.000 0.666 1073 V HN 0.597 nan 8.190 nan 0.000 0.456 1074 Q N 0.109 119.918 119.800 0.016 0.000 2.112 1074 Q HA -0.313 4.027 4.340 0.001 0.000 0.206 1074 Q C 2.423 178.452 176.000 0.048 0.000 0.987 1074 Q CA 2.353 58.165 55.803 0.014 0.000 0.858 1074 Q CB -0.037 28.703 28.738 0.003 0.000 0.905 1074 Q HN 0.539 nan 8.270 nan 0.000 0.420 1075 R N -0.448 120.090 120.500 0.064 0.000 2.062 1075 R HA -0.088 4.253 4.340 0.001 0.000 0.231 1075 R C 2.116 178.512 176.300 0.160 0.000 1.136 1075 R CA 1.713 57.867 56.100 0.090 0.000 0.948 1075 R CB -0.669 29.668 30.300 0.061 0.000 0.845 1075 R HN 0.167 nan 8.270 nan 0.000 0.430 1076 V N 0.409 120.432 119.914 0.182 0.000 2.392 1076 V HA -0.160 3.961 4.120 0.001 0.000 0.249 1076 V C 2.269 178.577 176.094 0.357 0.000 1.059 1076 V CA 2.110 64.590 62.300 0.299 0.000 1.051 1076 V CB -1.108 30.864 31.823 0.248 0.000 0.658 1076 V HN 0.676 nan 8.190 nan 0.000 0.455 1077 G N -0.972 107.944 108.800 0.193 0.000 2.408 1077 G HA2 -0.185 3.775 3.960 0.001 0.000 0.217 1077 G HA3 -0.185 3.775 3.960 0.001 0.000 0.217 1077 G C 1.488 176.448 174.900 0.099 0.000 1.150 1077 G CA 0.588 45.747 45.100 0.100 0.000 0.776 1077 G HN 0.546 nan 8.290 nan 0.000 0.542 1078 E N -0.720 119.546 120.200 0.111 0.000 2.150 1078 E HA -0.044 4.306 4.350 0.001 0.000 0.193 1078 E C 1.948 178.621 176.600 0.123 0.000 0.985 1078 E CA 0.349 56.799 56.400 0.083 0.000 0.814 1078 E CB -0.113 29.632 29.700 0.075 0.000 0.752 1078 E HN 0.482 nan 8.360 nan 0.000 0.466 1079 F N -0.089 119.892 119.950 0.051 0.000 2.149 1079 F HA -0.057 4.471 4.527 0.001 0.000 0.294 1079 F C 1.549 177.320 175.800 -0.048 0.000 1.095 1079 F CA 1.033 59.032 58.000 -0.002 0.000 1.276 1079 F CB -0.074 38.930 39.000 0.007 0.000 1.023 1079 F HN -0.109 nan 8.300 nan 0.000 0.480 1080 F N 0.774 120.774 119.950 0.082 0.000 2.802 1080 F HA 0.190 4.718 4.527 0.001 0.000 0.300 1080 F C 1.822 177.575 175.800 -0.078 0.000 1.168 1080 F CA 0.922 58.913 58.000 -0.014 0.000 1.433 1080 F CB -0.512 38.516 39.000 0.046 0.000 1.115 1080 F HN 0.197 nan 8.300 nan 0.000 0.582 1081 G N 1.079 109.896 108.800 0.028 0.000 2.143 1081 G HA2 -0.323 3.637 3.960 0.001 0.000 0.248 1081 G HA3 -0.323 3.637 3.960 0.001 0.000 0.248 1081 G C 0.274 175.187 174.900 0.022 0.000 0.991 1081 G CA -0.099 44.999 45.100 -0.002 0.000 0.689 1081 G HN 0.315 nan 8.290 nan 0.000 0.522 1082 I N 1.112 121.642 120.570 -0.066 0.000 2.496 1082 I HA 0.239 4.409 4.170 0.001 0.000 0.285 1082 I C 1.272 177.330 176.117 -0.100 0.000 1.080 1082 I CA -0.917 60.254 61.300 -0.215 0.000 1.404 1082 I CB 0.356 38.124 38.000 -0.387 0.000 1.403 1082 I HN 0.120 nan 8.210 nan 0.000 0.539 1083 H N 7.974 126.974 119.070 -0.116 0.000 2.998 1083 H HA -0.016 4.540 4.556 0.001 0.000 0.353 1083 H C -1.317 173.935 175.328 -0.126 0.000 1.099 1083 H CA -0.655 55.314 56.048 -0.132 0.000 1.393 1083 H CB 0.112 29.743 29.762 -0.218 0.000 1.343 1083 H HN 0.415 nan 8.280 nan 0.000 0.609 1084 P HA -0.130 nan 4.420 nan 0.000 0.219 1084 P C 1.267 178.564 177.300 -0.006 0.000 1.150 1084 P CA 1.297 64.390 63.100 -0.012 0.000 0.814 1084 P CB 0.181 31.880 31.700 -0.002 0.000 0.787 1085 L N -3.236 118.006 121.223 0.032 0.000 2.209 1085 L HA 0.103 4.443 4.340 0.001 0.000 0.207 1085 L C 2.231 179.110 176.870 0.015 0.000 1.094 1085 L CA 0.784 55.647 54.840 0.038 0.000 0.790 1085 L CB -1.545 40.559 42.059 0.075 0.000 0.932 1085 L HN -0.305 nan 8.230 nan 0.000 0.447 1086 V N 0.712 120.604 119.914 -0.036 0.000 3.141 1086 V HA -0.103 4.017 4.120 0.001 0.000 0.265 1086 V C 2.392 178.248 176.094 -0.395 0.000 1.126 1086 V CA 1.262 63.447 62.300 -0.191 0.000 1.141 1086 V CB -0.030 31.637 31.823 -0.261 0.000 0.743 1086 V HN 0.403 nan 8.190 nan 0.000 0.492 1087 L N -0.566 120.502 121.223 -0.259 0.000 2.127 1087 L HA -0.079 4.261 4.340 0.001 0.000 0.203 1087 L C 2.481 179.256 176.870 -0.159 0.000 1.080 1087 L CA 1.406 56.084 54.840 -0.271 0.000 0.768 1087 L CB -0.482 41.459 42.059 -0.196 0.000 0.924 1087 L HN 0.328 nan 8.230 nan 0.000 0.444 1088 E N 0.605 120.763 120.200 -0.070 0.000 2.097 1088 E HA -0.280 4.070 4.350 0.001 0.000 0.196 1088 E C 1.459 178.073 176.600 0.023 0.000 1.000 1088 E CA 1.821 58.215 56.400 -0.009 0.000 0.804 1088 E CB 0.108 29.819 29.700 0.018 0.000 0.740 1088 E HN 0.447 nan 8.360 nan 0.000 0.454 1089 D N 0.140 120.573 120.400 0.055 0.000 2.219 1089 D HA -0.129 4.512 4.640 0.001 0.000 0.205 1089 D C 1.908 178.293 176.300 0.143 0.000 0.970 1089 D CA 0.750 54.834 54.000 0.139 0.000 0.851 1089 D CB -0.169 40.802 40.800 0.284 0.000 0.943 1089 D HN 0.367 nan 8.370 nan 0.000 0.488 1090 I N 0.060 120.663 120.570 0.055 0.000 2.394 1090 I HA -0.194 3.976 4.170 0.001 0.000 0.251 1090 I C 1.965 178.088 176.117 0.011 0.000 1.136 1090 I CA 0.768 62.050 61.300 -0.031 0.000 1.425 1090 I CB -0.054 37.693 38.000 -0.423 0.000 1.079 1090 I HN -0.038 nan 8.210 nan 0.000 0.425 1091 L N -0.358 120.885 121.223 0.033 0.000 2.307 1091 L HA 0.035 4.375 4.340 0.001 0.000 0.211 1091 L C 0.995 177.951 176.870 0.144 0.000 1.099 1091 L CA 0.320 55.261 54.840 0.168 0.000 0.816 1091 L CB -0.384 41.756 42.059 0.136 0.000 0.952 1091 L HN 0.142 nan 8.230 nan 0.000 0.455 1092 N N 0.626 119.359 118.700 0.054 0.000 2.555 1092 N HA 0.062 4.802 4.740 0.001 0.000 0.244 1092 N C 0.890 176.372 175.510 -0.047 0.000 1.114 1092 N CA -0.080 52.964 53.050 -0.011 0.000 0.963 1092 N CB 1.166 39.672 38.487 0.032 0.000 1.276 1092 N HN 0.052 nan 8.380 nan 0.000 0.510 1093 V N 0.699 120.500 119.914 -0.188 0.000 3.041 1093 V HA 0.044 4.164 4.120 0.001 0.000 0.260 1093 V C 0.568 176.571 176.094 -0.152 0.000 1.105 1093 V CA 0.914 63.108 62.300 -0.176 0.000 1.125 1093 V CB -0.709 30.990 31.823 -0.207 0.000 0.730 1093 V HN 0.504 nan 8.190 nan 0.000 0.479 1094 H N 2.562 121.646 119.070 0.024 0.000 2.970 1094 H HA 0.566 5.123 4.556 0.001 0.000 0.226 1094 H C -0.116 175.235 175.328 0.039 0.000 1.909 1094 H CA 0.252 56.319 56.048 0.032 0.000 1.388 1094 H CB -0.481 29.294 29.762 0.022 0.000 1.773 1094 H HN 0.653 nan 8.280 nan 0.000 0.559 1095 Q N 1.064 120.935 119.800 0.119 0.000 2.345 1095 Q HA 0.322 4.662 4.340 0.001 0.000 0.275 1095 Q C -0.195 175.847 176.000 0.069 0.000 1.063 1095 Q CA -1.155 54.700 55.803 0.087 0.000 0.819 1095 Q CB 2.672 31.451 28.738 0.069 0.000 1.356 1095 Q HN 0.321 nan 8.270 nan 0.000 0.418 1096 R N 1.592 122.130 120.500 0.063 0.000 2.489 1096 R HA 0.223 4.563 4.340 0.001 0.000 0.287 1096 R C -2.347 173.965 176.300 0.020 0.000 1.053 1096 R CA -1.742 54.391 56.100 0.055 0.000 1.036 1096 R CB -0.629 29.706 30.300 0.059 0.000 0.966 1096 R HN 0.336 nan 8.270 nan 0.000 0.432 1097 P HA -0.051 nan 4.420 nan 0.000 0.263 1097 P C -0.350 176.912 177.300 -0.063 0.000 1.175 1097 P CA 0.626 63.705 63.100 -0.034 0.000 0.761 1097 P CB 0.370 32.064 31.700 -0.010 0.000 0.794 1098 K N 0.530 120.846 120.400 -0.139 0.000 2.533 1098 K HA 0.734 5.054 4.320 0.001 0.000 0.272 1098 K C -1.797 174.634 176.600 -0.282 0.000 0.985 1098 K CA -1.203 54.981 56.287 -0.171 0.000 0.876 1098 K CB 1.728 34.144 32.500 -0.140 0.000 1.452 1098 K HN 0.127 nan 8.250 nan 0.000 0.439 1099 V N 1.264 120.998 119.914 -0.300 0.000 2.444 1099 V HA 0.345 4.465 4.120 0.001 0.000 0.294 1099 V C -1.227 174.557 176.094 -0.517 0.000 1.022 1099 V CA -0.337 61.693 62.300 -0.449 0.000 0.850 1099 V CB 1.522 33.044 31.823 -0.502 0.000 0.992 1099 V HN 0.788 nan 8.190 nan 0.000 0.426 1100 E N 6.339 126.277 120.200 -0.437 0.000 2.113 1100 E HA 0.355 4.705 4.350 0.001 0.000 0.273 1100 E C -1.428 174.893 176.600 -0.466 0.000 0.924 1100 E CA -0.308 55.877 56.400 -0.359 0.000 0.764 1100 E CB 1.822 31.575 29.700 0.088 0.000 1.104 1100 E HN 0.549 nan 8.360 nan 0.000 0.406 1101 F N 2.609 122.330 119.950 -0.383 0.000 2.404 1101 F HA 0.407 4.934 4.527 0.001 0.000 0.345 1101 F C 0.158 175.570 175.800 -0.647 0.000 1.110 1101 F CA -0.327 57.474 58.000 -0.331 0.000 1.130 1101 F CB 0.446 39.321 39.000 -0.207 0.000 1.129 1101 F HN 0.346 nan 8.300 nan 0.000 0.500 1102 F N 0.266 120.236 119.950 0.033 0.000 2.691 1102 F HA 0.320 4.848 4.527 0.001 0.000 0.334 1102 F C 1.364 177.071 175.800 -0.156 0.000 1.107 1102 F CA -0.960 56.924 58.000 -0.193 0.000 0.991 1102 F CB 1.026 39.659 39.000 -0.611 0.000 1.400 1102 F HN 0.344 nan 8.300 nan 0.000 0.503 1103 E N 0.363 120.623 120.200 0.100 0.000 2.110 1103 E HA -0.151 4.199 4.350 0.001 0.000 0.193 1103 E C 0.848 177.462 176.600 0.022 0.000 0.988 1103 E CA 2.304 58.730 56.400 0.044 0.000 0.804 1103 E CB -0.071 29.664 29.700 0.058 0.000 0.745 1103 E HN 0.686 nan 8.360 nan 0.000 0.458 1104 N N -2.090 116.599 118.700 -0.017 0.000 2.591 1104 N HA 0.099 4.840 4.740 0.001 0.000 0.200 1104 N C -0.505 175.097 175.510 0.153 0.000 1.040 1104 N CA 0.392 53.486 53.050 0.073 0.000 0.911 1104 N CB 0.240 38.827 38.487 0.167 0.000 1.259 1104 N HN 0.116 nan 8.380 nan 0.000 0.438 1105 Y N -0.628 119.810 120.300 0.230 0.000 2.524 1105 Y HA 0.756 5.307 4.550 0.001 0.000 0.344 1105 Y C -0.722 175.373 175.900 0.325 0.000 1.012 1105 Y CA -1.635 56.607 58.100 0.236 0.000 1.068 1105 Y CB 0.768 39.351 38.460 0.205 0.000 1.249 1105 Y HN -0.370 nan 8.280 nan 0.000 0.468 1106 V N 4.067 124.249 119.914 0.447 0.000 2.407 1106 V HA 0.253 4.373 4.120 0.001 0.000 0.278 1106 V C -0.879 175.490 176.094 0.460 0.000 1.037 1106 V CA -0.478 62.058 62.300 0.392 0.000 0.900 1106 V CB 0.856 32.859 31.823 0.300 0.000 0.983 1106 V HN 0.693 nan 8.190 nan 0.000 0.459 1107 F N 7.003 127.089 119.950 0.226 0.000 2.426 1107 F HA 0.740 5.267 4.527 0.001 0.000 0.348 1107 F C -0.513 175.303 175.800 0.026 0.000 1.124 1107 F CA -1.534 56.584 58.000 0.197 0.000 1.008 1107 F CB 0.996 40.209 39.000 0.354 0.000 1.139 1107 F HN 0.324 nan 8.300 nan 0.000 0.452 1108 I N 6.593 126.982 120.570 -0.302 0.000 2.545 1108 I HA 0.483 4.653 4.170 0.001 0.000 0.292 1108 I C -1.140 174.677 176.117 -0.501 0.000 1.040 1108 I CA -1.162 59.884 61.300 -0.423 0.000 1.068 1108 I CB 2.142 40.045 38.000 -0.161 0.000 1.251 1108 I HN 0.256 nan 8.210 nan 0.000 0.424 1109 V N 6.617 126.238 119.914 -0.488 0.000 2.459 1109 V HA 0.590 4.710 4.120 0.001 0.000 0.295 1109 V C -0.169 175.845 176.094 -0.133 0.000 1.029 1109 V CA -0.553 61.586 62.300 -0.268 0.000 0.874 1109 V CB 1.674 33.343 31.823 -0.256 0.000 0.985 1109 V HN 0.503 nan 8.190 nan 0.000 0.438 1110 L N 3.695 124.887 121.223 -0.052 0.000 2.350 1110 L HA 0.699 5.039 4.340 0.001 0.000 0.260 1110 L C -0.450 176.406 176.870 -0.024 0.000 1.015 1110 L CA -0.854 53.967 54.840 -0.032 0.000 0.821 1110 L CB 2.806 44.859 42.059 -0.010 0.000 1.370 1110 L HN 0.535 nan 8.230 nan 0.000 0.416 1111 K N 2.937 123.305 120.400 -0.053 0.000 2.378 1111 K HA 0.665 4.985 4.320 0.001 0.000 0.252 1111 K C -1.191 175.305 176.600 -0.173 0.000 0.931 1111 K CA -0.641 55.553 56.287 -0.155 0.000 0.794 1111 K CB 2.646 34.998 32.500 -0.246 0.000 1.181 1111 K HN 0.565 nan 8.250 nan 0.000 0.425 1112 M N 0.590 120.057 119.600 -0.223 0.000 2.456 1112 M HA 0.560 5.040 4.480 0.001 0.000 0.324 1112 M C -1.249 174.877 176.300 -0.291 0.000 1.124 1112 M CA -0.749 54.486 55.300 -0.108 0.000 0.959 1112 M CB 1.079 33.664 32.600 -0.024 0.000 1.692 1112 M HN 0.216 nan 8.290 nan 0.000 0.444 1113 F N 0.030 119.985 119.950 0.007 0.000 2.541 1113 F HA 0.748 5.275 4.527 0.001 0.000 0.331 1113 F C -0.012 175.779 175.800 -0.014 0.000 1.057 1113 F CA -0.534 57.438 58.000 -0.046 0.000 0.975 1113 F CB 2.484 41.385 39.000 -0.166 0.000 1.246 1113 F HN 0.597 nan 8.300 nan 0.000 0.484 1114 T N 1.084 115.810 114.554 0.287 0.000 2.949 1114 T HA 0.198 4.548 4.350 0.001 0.000 0.300 1114 T C -1.794 173.027 174.700 0.203 0.000 0.988 1114 T CA -0.410 61.799 62.100 0.182 0.000 0.993 1114 T CB 0.400 69.344 68.868 0.127 0.000 0.984 1114 T HN 0.348 nan 8.240 nan 0.000 0.442 1115 Y N 3.450 123.768 120.300 0.031 0.000 2.434 1115 Y HA 0.300 4.850 4.550 0.001 0.000 0.341 1115 Y C 0.205 176.113 175.900 0.013 0.000 0.965 1115 Y CA -1.477 56.625 58.100 0.004 0.000 1.205 1115 Y CB 0.527 38.974 38.460 -0.021 0.000 1.121 1115 Y HN 0.539 nan 8.280 nan 0.000 0.507 1116 D N 6.458 126.637 120.400 -0.368 0.000 2.346 1116 D HA -0.011 4.630 4.640 0.001 0.000 0.267 1116 D C -0.170 175.744 176.300 -0.643 0.000 1.320 1116 D CA 0.162 53.940 54.000 -0.370 0.000 0.951 1116 D CB 0.250 40.899 40.800 -0.253 0.000 1.079 1116 D HN 0.601 nan 8.370 nan 0.000 0.509 1117 K N 3.677 123.837 120.400 -0.400 0.000 2.319 1117 K HA -0.013 4.307 4.320 0.001 0.000 0.265 1117 K C 1.148 177.570 176.600 -0.297 0.000 1.000 1117 K CA -0.084 56.031 56.287 -0.286 0.000 0.943 1117 K CB 0.555 33.017 32.500 -0.063 0.000 0.950 1117 K HN 0.544 nan 8.250 nan 0.000 0.485 1118 N N -0.019 118.473 118.700 -0.346 0.000 3.634 1118 N HA -0.307 4.433 4.740 0.001 0.000 0.229 1118 N C -0.119 174.973 175.510 -0.697 0.000 0.175 1118 N CA 1.615 54.390 53.050 -0.458 0.000 3.570 1118 N CB -0.897 37.447 38.487 -0.238 0.000 1.183 1118 N HN 0.455 nan 8.380 nan 0.000 0.257 1119 L N 5.166 126.135 121.223 -0.423 0.000 2.449 1119 L HA 0.094 4.435 4.340 0.001 0.000 0.266 1119 L C -0.302 176.375 176.870 -0.323 0.000 1.321 1119 L CA 0.604 55.253 54.840 -0.318 0.000 1.194 1119 L CB -1.407 40.535 42.059 -0.194 0.000 1.384 1119 L HN 0.151 nan 8.230 nan 0.000 0.438 1120 H N 3.690 122.675 119.070 -0.142 0.000 3.444 1120 H HA 0.187 4.743 4.556 0.001 0.000 0.224 1120 H C 0.086 175.382 175.328 -0.053 0.000 1.034 1120 H CA 0.612 56.592 56.048 -0.115 0.000 1.416 1120 H CB -0.125 29.650 29.762 0.022 0.000 1.591 1120 H HN 0.591 nan 8.280 nan 0.000 0.522 1121 E N 3.124 123.303 120.200 -0.036 0.000 2.400 1121 E HA 0.226 4.576 4.350 0.001 0.000 0.285 1121 E C -1.493 175.138 176.600 0.052 0.000 1.005 1121 E CA -0.840 55.585 56.400 0.041 0.000 0.816 1121 E CB 1.432 31.128 29.700 -0.007 0.000 1.220 1121 E HN 0.470 nan 8.360 nan 0.000 0.426 1122 L N 0.587 121.900 121.223 0.150 0.000 2.354 1122 L HA 0.817 5.157 4.340 0.001 0.000 0.269 1122 L C -0.763 176.197 176.870 0.149 0.000 1.005 1122 L CA -0.741 54.202 54.840 0.171 0.000 0.819 1122 L CB 2.094 44.216 42.059 0.105 0.000 1.311 1122 L HN 0.541 nan 8.230 nan 0.000 0.423 1123 E N 1.104 121.435 120.200 0.218 0.000 2.277 1123 E HA 0.554 4.904 4.350 0.001 0.000 0.266 1123 E C -1.474 175.347 176.600 0.367 0.000 0.901 1123 E CA -0.618 55.938 56.400 0.259 0.000 0.782 1123 E CB 2.315 32.139 29.700 0.207 0.000 1.228 1123 E HN 0.682 nan 8.360 nan 0.000 0.424 1124 S N 2.196 118.071 115.700 0.291 0.000 2.707 1124 S HA 0.256 4.726 4.470 0.001 0.000 0.303 1124 S C -1.410 173.184 174.600 -0.010 0.000 1.132 1124 S CA -0.767 57.522 58.200 0.147 0.000 1.046 1124 S CB 0.575 63.922 63.200 0.244 0.000 1.004 1124 S HN 0.509 nan 8.310 nan 0.000 0.483 1125 E N 3.441 123.570 120.200 -0.119 0.000 2.191 1125 E HA 0.416 4.766 4.350 0.001 0.000 0.274 1125 E C -0.681 175.851 176.600 -0.113 0.000 0.948 1125 E CA -0.847 55.461 56.400 -0.154 0.000 0.802 1125 E CB 1.155 30.723 29.700 -0.221 0.000 1.137 1125 E HN 0.532 nan 8.360 nan 0.000 0.397 1126 Q N 3.096 122.863 119.800 -0.054 0.000 2.314 1126 Q HA 0.323 4.664 4.340 0.001 0.000 0.259 1126 Q C -1.374 174.662 176.000 0.059 0.000 0.951 1126 Q CA -0.847 54.951 55.803 -0.009 0.000 0.909 1126 Q CB 1.651 30.393 28.738 0.006 0.000 1.236 1126 Q HN 0.577 nan 8.270 nan 0.000 0.444 1127 V N 3.061 123.023 119.914 0.081 0.000 2.398 1127 V HA 0.378 4.499 4.120 0.001 0.000 0.286 1127 V C -0.291 175.902 176.094 0.165 0.000 1.026 1127 V CA -0.599 61.799 62.300 0.164 0.000 0.868 1127 V CB 1.625 33.590 31.823 0.236 0.000 0.982 1127 V HN 0.738 nan 8.190 nan 0.000 0.443 1128 S N 5.885 121.741 115.700 0.261 0.000 2.525 1128 S HA 0.801 5.272 4.470 0.001 0.000 0.290 1128 S C -0.534 174.288 174.600 0.369 0.000 1.152 1128 S CA -0.593 57.798 58.200 0.319 0.000 1.072 1128 S CB 1.268 64.720 63.200 0.420 0.000 1.027 1128 S HN 0.530 nan 8.310 nan 0.000 0.500 1129 L N 3.044 124.439 121.223 0.285 0.000 2.409 1129 L HA 0.595 4.936 4.340 0.001 0.000 0.272 1129 L C -1.153 175.903 176.870 0.309 0.000 0.980 1129 L CA -0.423 54.539 54.840 0.204 0.000 0.826 1129 L CB 1.438 43.521 42.059 0.039 0.000 1.268 1129 L HN 0.532 nan 8.230 nan 0.000 0.407 1130 I N 4.284 125.004 120.570 0.251 0.000 2.410 1130 I HA 0.308 4.478 4.170 0.001 0.000 0.286 1130 I C -0.859 175.322 176.117 0.107 0.000 1.009 1130 I CA -0.588 60.849 61.300 0.228 0.000 1.111 1130 I CB 2.197 40.268 38.000 0.118 0.000 1.262 1130 I HN 0.349 nan 8.210 nan 0.000 0.443 1131 L N 6.850 128.167 121.223 0.156 0.000 2.262 1131 L HA 0.577 4.917 4.340 0.001 0.000 0.288 1131 L C -0.288 176.684 176.870 0.170 0.000 1.035 1131 L CA 0.427 55.327 54.840 0.099 0.000 0.820 1131 L CB 1.321 43.410 42.059 0.050 0.000 1.204 1131 L HN 0.584 nan 8.230 nan 0.000 0.424 1132 T N 4.491 119.131 114.554 0.144 0.000 2.937 1132 T HA 0.425 4.775 4.350 0.001 0.000 0.297 1132 T C 0.389 175.185 174.700 0.159 0.000 0.991 1132 T CA -0.117 62.105 62.100 0.203 0.000 0.990 1132 T CB 0.512 69.556 68.868 0.294 0.000 0.991 1132 T HN 0.823 nan 8.240 nan 0.000 0.440 1133 K N 3.086 123.558 120.400 0.120 0.000 3.860 1133 K HA -0.238 4.083 4.320 0.001 0.000 0.215 1133 K C 0.229 176.859 176.600 0.050 0.000 0.729 1133 K CA 2.296 58.631 56.287 0.079 0.000 0.634 1133 K CB -0.970 31.587 32.500 0.095 0.000 0.774 1133 K HN 0.686 nan 8.250 nan 0.000 0.793 1134 N N 0.311 119.051 118.700 0.066 0.000 2.401 1134 N HA 0.207 4.947 4.740 0.001 0.000 0.264 1134 N C -1.139 174.404 175.510 0.055 0.000 1.238 1134 N CA 0.177 53.245 53.050 0.029 0.000 0.889 1134 N CB 0.495 38.991 38.487 0.015 0.000 1.196 1134 N HN 0.225 nan 8.380 nan 0.000 0.511 1135 C N 0.894 120.243 119.300 0.083 0.000 2.381 1135 C HA 0.431 4.892 4.460 0.001 0.000 0.328 1135 C C 0.528 175.522 174.990 0.007 0.000 1.190 1135 C CA -0.944 58.120 59.018 0.077 0.000 1.369 1135 C CB 1.097 28.939 27.740 0.171 0.000 2.029 1135 C HN -0.006 nan 8.230 nan 0.000 0.448 1136 V N 4.583 124.485 119.914 -0.021 0.000 2.270 1136 V HA 0.234 4.354 4.120 0.001 0.000 0.263 1136 V C 0.179 176.235 176.094 -0.064 0.000 1.066 1136 V CA -0.041 62.215 62.300 -0.073 0.000 0.857 1136 V CB 0.649 32.367 31.823 -0.175 0.000 1.099 1136 V HN 0.808 nan 8.190 nan 0.000 0.476 1137 L N 5.312 126.453 121.223 -0.136 0.000 2.319 1137 L HA 0.511 4.851 4.340 0.001 0.000 0.280 1137 L C -0.022 176.670 176.870 -0.297 0.000 1.099 1137 L CA 0.165 54.837 54.840 -0.279 0.000 0.828 1137 L CB 1.204 43.010 42.059 -0.422 0.000 1.150 1137 L HN 0.645 nan 8.230 nan 0.000 0.442 1138 M N 4.019 123.370 119.600 -0.414 0.000 2.664 1138 M HA 0.514 4.994 4.480 0.001 0.000 0.314 1138 M C -1.738 174.159 176.300 -0.673 0.000 1.200 1138 M CA -0.328 54.791 55.300 -0.302 0.000 0.916 1138 M CB 1.868 34.490 32.600 0.037 0.000 1.717 1138 M HN 0.365 nan 8.290 nan 0.000 0.470 1139 F N 2.078 122.073 119.950 0.075 0.000 2.828 1139 F HA 0.403 4.931 4.527 0.001 0.000 0.355 1139 F C -0.636 175.216 175.800 0.087 0.000 1.200 1139 F CA -0.601 57.437 58.000 0.064 0.000 1.062 1139 F CB 1.504 40.542 39.000 0.065 0.000 1.351 1139 F HN 0.467 nan 8.300 nan 0.000 0.504 1140 Q N 2.377 122.297 119.800 0.201 0.000 2.257 1140 Q HA 0.339 4.679 4.340 0.001 0.000 0.262 1140 Q C 0.617 176.689 176.000 0.120 0.000 0.997 1140 Q CA -0.703 55.190 55.803 0.151 0.000 0.873 1140 Q CB 2.419 31.228 28.738 0.119 0.000 1.312 1140 Q HN 0.789 nan 8.270 nan 0.000 0.450 1141 E N 0.709 120.958 120.200 0.081 0.000 2.364 1141 E HA 0.044 4.395 4.350 0.001 0.000 0.196 1141 E C -0.192 176.459 176.600 0.085 0.000 0.990 1141 E CA 0.353 56.810 56.400 0.095 0.000 0.886 1141 E CB 0.351 30.151 29.700 0.167 0.000 0.866 1141 E HN 0.390 nan 8.360 nan 0.000 0.493 1142 K N 0.745 121.146 120.400 0.002 0.000 2.435 1142 K HA 0.424 4.745 4.320 0.001 0.000 0.251 1142 K C -0.720 175.903 176.600 0.038 0.000 0.954 1142 K CA -0.863 55.450 56.287 0.044 0.000 0.820 1142 K CB 1.865 34.359 32.500 -0.009 0.000 1.292 1142 K HN -0.114 nan 8.250 nan 0.000 0.436 1143 I N 1.853 122.460 120.570 0.062 0.000 2.752 1143 I HA 0.174 4.344 4.170 0.001 0.000 0.287 1143 I C 0.580 176.709 176.117 0.019 0.000 1.188 1143 I CA 1.613 62.934 61.300 0.034 0.000 1.427 1143 I CB 0.357 38.379 38.000 0.038 0.000 1.365 1143 I HN 0.988 nan 8.210 nan 0.000 0.585 1144 G N 4.602 113.404 108.800 0.004 0.000 2.895 1144 G HA2 0.034 3.994 3.960 0.001 0.000 0.686 1144 G HA3 0.034 3.994 3.960 0.001 0.000 0.686 1144 G C -1.304 173.571 174.900 -0.042 0.000 1.108 1144 G CA -0.329 44.766 45.100 -0.009 0.000 0.761 1144 G HN 0.991 nan 8.290 nan 0.000 0.611 1145 D N -2.008 118.348 120.400 -0.074 0.000 2.779 1145 D HA 0.549 5.190 4.640 0.001 0.000 0.331 1145 D C 0.795 176.954 176.300 -0.235 0.000 1.331 1145 D CA 0.091 53.964 54.000 -0.211 0.000 0.866 1145 D CB 0.742 41.377 40.800 -0.274 0.000 1.409 1145 D HN 1.416 nan 8.370 nan 0.000 0.486 1146 V N -2.220 117.420 119.914 -0.456 0.000 3.514 1146 V HA 0.343 4.464 4.120 0.001 0.000 0.301 1146 V C 0.133 176.122 176.094 -0.175 0.000 1.346 1146 V CA 0.077 62.206 62.300 -0.283 0.000 1.156 1146 V CB -1.158 30.527 31.823 -0.231 0.000 1.029 1146 V HN 0.409 nan 8.190 nan 0.000 0.428 1147 F N 0.494 120.479 119.950 0.059 0.000 2.692 1147 F HA 0.371 4.898 4.527 0.001 0.000 0.303 1147 F C 1.568 177.431 175.800 0.106 0.000 1.114 1147 F CA -0.840 57.208 58.000 0.080 0.000 1.361 1147 F CB -0.754 38.345 39.000 0.164 0.000 1.063 1147 F HN 0.177 nan 8.300 nan 0.000 0.550 1148 D N 1.587 122.089 120.400 0.169 0.000 2.117 1148 D HA -0.108 4.532 4.640 0.001 0.000 0.197 1148 D C -0.137 176.211 176.300 0.079 0.000 0.987 1148 D CA 1.441 55.503 54.000 0.103 0.000 0.829 1148 D CB -1.210 39.619 40.800 0.049 0.000 0.961 1148 D HN 0.156 nan 8.370 nan 0.000 0.460 1149 P HA -0.082 nan 4.420 nan 0.000 0.217 1149 P C 1.884 179.201 177.300 0.029 0.000 1.151 1149 P CA 0.610 63.737 63.100 0.045 0.000 0.828 1149 P CB 0.143 31.868 31.700 0.042 0.000 0.788 1150 V N 1.919 121.864 119.914 0.051 0.000 2.343 1150 V HA -0.235 3.885 4.120 0.001 0.000 0.247 1150 V C 2.912 178.993 176.094 -0.022 0.000 1.051 1150 V CA 2.347 64.638 62.300 -0.015 0.000 1.036 1150 V CB -0.880 30.888 31.823 -0.093 0.000 0.654 1150 V HN 0.121 nan 8.190 nan 0.000 0.451 1151 R N -0.547 120.018 120.500 0.109 0.000 2.148 1151 R HA -0.063 4.278 4.340 0.001 0.000 0.227 1151 R C 1.945 178.153 176.300 -0.152 0.000 1.103 1151 R CA 1.568 57.717 56.100 0.081 0.000 0.983 1151 R CB -0.532 29.859 30.300 0.152 0.000 0.874 1151 R HN 0.434 nan 8.270 nan 0.000 0.451 1152 E N 1.234 121.360 120.200 -0.123 0.000 2.158 1152 E HA -0.044 4.306 4.350 0.001 0.000 0.191 1152 E C 1.895 178.372 176.600 -0.206 0.000 0.982 1152 E CA 0.674 56.943 56.400 -0.218 0.000 0.823 1152 E CB 0.083 29.723 29.700 -0.101 0.000 0.766 1152 E HN 0.435 nan 8.360 nan 0.000 0.468 1153 R N 0.068 120.495 120.500 -0.121 0.000 2.236 1153 R HA 0.104 4.445 4.340 0.001 0.000 0.208 1153 R C 2.255 178.459 176.300 -0.161 0.000 1.036 1153 R CA 0.325 56.376 56.100 -0.082 0.000 1.001 1153 R CB 0.078 30.358 30.300 -0.033 0.000 0.896 1153 R HN 0.167 nan 8.270 nan 0.000 0.464 1154 I N -0.101 120.290 120.570 -0.298 0.000 2.400 1154 I HA -0.160 4.010 4.170 0.001 0.000 0.248 1154 I C 2.615 178.397 176.117 -0.559 0.000 1.109 1154 I CA 0.761 61.760 61.300 -0.502 0.000 1.425 1154 I CB -0.201 37.359 38.000 -0.734 0.000 1.094 1154 I HN 0.048 nan 8.210 nan 0.000 0.425 1155 R N 0.770 120.922 120.500 -0.579 0.000 2.097 1155 R HA -0.193 4.148 4.340 0.001 0.000 0.236 1155 R C 0.857 177.137 176.300 -0.032 0.000 1.135 1155 R CA 1.840 57.688 56.100 -0.421 0.000 0.934 1155 R CB -0.110 29.847 30.300 -0.572 0.000 0.846 1155 R HN 0.255 nan 8.270 nan 0.000 0.431 1156 Y N 0.803 121.141 120.300 0.064 0.000 2.811 1156 Y HA 0.198 4.748 4.550 0.001 0.000 0.330 1156 Y C -0.130 175.803 175.900 0.055 0.000 1.081 1156 Y CA -1.342 56.806 58.100 0.081 0.000 1.408 1156 Y CB -0.948 37.546 38.460 0.056 0.000 1.235 1156 Y HN 0.147 nan 8.280 nan 0.000 0.529 1157 N N 2.174 120.966 118.700 0.152 0.000 2.770 1157 N HA -0.291 4.449 4.740 0.001 0.000 0.283 1157 N C -0.173 175.384 175.510 0.078 0.000 1.009 1157 N CA 0.433 53.534 53.050 0.086 0.000 0.828 1157 N CB -0.303 38.254 38.487 0.116 0.000 0.939 1157 N HN 0.468 nan 8.380 nan 0.000 0.580 1158 R N 1.047 121.582 120.500 0.057 0.000 2.407 1158 R HA 0.557 4.898 4.340 0.001 0.000 0.303 1158 R C 1.091 177.415 176.300 0.040 0.000 0.981 1158 R CA 0.216 56.353 56.100 0.061 0.000 0.905 1158 R CB 0.634 30.979 30.300 0.075 0.000 1.099 1158 R HN 0.533 nan 8.270 nan 0.000 0.459 1159 G N 3.006 111.834 108.800 0.047 0.000 2.601 1159 G HA2 -0.293 3.668 3.960 0.001 0.000 0.252 1159 G HA3 -0.293 3.668 3.960 0.001 0.000 0.252 1159 G C 0.161 175.081 174.900 0.033 0.000 1.294 1159 G CA -0.012 45.119 45.100 0.052 0.000 0.912 1159 G HN 0.652 nan 8.290 nan 0.000 0.574 1160 I N 1.339 121.931 120.570 0.037 0.000 3.712 1160 I HA 0.292 4.463 4.170 0.001 0.000 0.342 1160 I C 1.641 177.680 176.117 -0.131 0.000 1.487 1160 I CA -0.095 61.179 61.300 -0.043 0.000 1.179 1160 I CB -0.403 37.563 38.000 -0.057 0.000 1.403 1160 I HN 0.402 nan 8.210 nan 0.000 0.444 1161 I N 0.169 120.725 120.570 -0.023 0.000 2.385 1161 I HA -0.032 4.138 4.170 0.001 0.000 0.244 1161 I C 2.595 178.727 176.117 0.025 0.000 1.089 1161 I CA 0.523 61.840 61.300 0.028 0.000 1.410 1161 I CB -0.279 37.718 38.000 -0.004 0.000 1.117 1161 I HN 0.240 nan 8.210 nan 0.000 0.429 1162 R N 1.287 121.789 120.500 0.004 0.000 2.081 1162 R HA -0.170 4.170 4.340 0.001 0.000 0.235 1162 R C 2.246 178.626 176.300 0.135 0.000 1.131 1162 R CA 1.190 57.383 56.100 0.155 0.000 0.960 1162 R CB -0.502 29.858 30.300 0.099 0.000 0.856 1162 R HN 0.328 nan 8.270 nan 0.000 0.436 1163 K N 0.771 121.182 120.400 0.017 0.000 2.113 1163 K HA -0.119 4.202 4.320 0.001 0.000 0.208 1163 K C 0.670 177.223 176.600 -0.079 0.000 1.047 1163 K CA 1.306 57.575 56.287 -0.030 0.000 0.928 1163 K CB 0.193 32.657 32.500 -0.061 0.000 0.716 1163 K HN -0.072 nan 8.250 nan 0.000 0.446 1164 K N 0.428 120.724 120.400 -0.174 0.000 2.177 1164 K HA 0.216 4.536 4.320 0.001 0.000 0.238 1164 K C 0.475 177.011 176.600 -0.106 0.000 1.015 1164 K CA -0.539 55.599 56.287 -0.249 0.000 0.922 1164 K CB 1.009 33.108 32.500 -0.668 0.000 1.127 1164 K HN 0.042 nan 8.250 nan 0.000 0.469 1165 R N -0.550 119.896 120.500 -0.090 0.000 2.811 1165 R HA 0.133 4.474 4.340 0.001 0.000 0.237 1165 R C 1.331 177.617 176.300 -0.024 0.000 1.231 1165 R CA 0.499 56.565 56.100 -0.056 0.000 1.070 1165 R CB 0.001 30.269 30.300 -0.054 0.000 1.126 1165 R HN 0.730 nan 8.270 nan 0.000 0.540 1166 A N 0.584 123.368 122.820 -0.060 0.000 2.044 1166 A HA -0.094 4.227 4.320 0.001 0.000 0.213 1166 A C 1.479 179.021 177.584 -0.071 0.000 1.169 1166 A CA 1.148 53.143 52.037 -0.069 0.000 0.724 1166 A CB -0.200 18.752 19.000 -0.080 0.000 0.840 1166 A HN 0.819 nan 8.150 nan 0.000 0.463 1167 D N -1.300 119.043 120.400 -0.096 0.000 2.224 1167 D HA -0.210 4.431 4.640 0.001 0.000 0.205 1167 D C 1.610 177.735 176.300 -0.293 0.000 0.965 1167 D CA 1.128 55.007 54.000 -0.202 0.000 0.852 1167 D CB -0.698 39.969 40.800 -0.221 0.000 0.947 1167 D HN 0.535 nan 8.370 nan 0.000 0.494 1168 Y N 0.896 121.026 120.300 -0.283 0.000 2.293 1168 Y HA -0.099 4.451 4.550 0.001 0.000 0.291 1168 Y C 2.226 177.981 175.900 -0.242 0.000 1.137 1168 Y CA 1.124 59.052 58.100 -0.287 0.000 1.202 1168 Y CB -0.250 38.083 38.460 -0.212 0.000 0.990 1168 Y HN 0.013 nan 8.280 nan 0.000 0.537 1169 L N 0.331 121.534 121.223 -0.033 0.000 2.043 1169 L HA -0.212 4.129 4.340 0.001 0.000 0.212 1169 L C 2.223 178.909 176.870 -0.307 0.000 1.075 1169 L CA 1.974 56.742 54.840 -0.120 0.000 0.752 1169 L CB -1.177 40.876 42.059 -0.010 0.000 0.891 1169 L HN 0.445 nan 8.230 nan 0.000 0.432 1170 L N -0.631 120.429 121.223 -0.272 0.000 2.012 1170 L HA -0.237 4.103 4.340 0.001 0.000 0.210 1170 L C 1.529 178.363 176.870 -0.059 0.000 1.073 1170 L CA 1.712 56.422 54.840 -0.216 0.000 0.748 1170 L CB -0.786 41.166 42.059 -0.178 0.000 0.891 1170 L HN 0.366 nan 8.230 nan 0.000 0.431 1171 Y N -0.649 119.443 120.300 -0.346 0.000 2.885 1171 Y HA 0.053 4.604 4.550 0.001 0.000 0.380 1171 Y C 1.311 176.950 175.900 -0.434 0.000 1.064 1171 Y CA -0.284 57.643 58.100 -0.289 0.000 1.676 1171 Y CB -0.118 38.168 38.460 -0.290 0.000 1.633 1171 Y HN 0.276 nan 8.280 nan 0.000 0.473 1172 S N -1.407 114.153 115.700 -0.233 0.000 2.917 1172 S HA 0.069 4.539 4.470 0.001 0.000 0.269 1172 S C 1.479 175.965 174.600 -0.191 0.000 1.072 1172 S CA -0.304 57.757 58.200 -0.232 0.000 0.967 1172 S CB 0.090 63.081 63.200 -0.349 0.000 0.906 1172 S HN 0.345 nan 8.310 nan 0.000 0.463 1173 L N 1.740 122.760 121.223 -0.339 0.000 2.056 1173 L HA 0.066 4.406 4.340 0.001 0.000 0.207 1173 L C 2.037 178.821 176.870 -0.144 0.000 1.078 1173 L CA 1.310 55.877 54.840 -0.456 0.000 0.749 1173 L CB -0.535 41.009 42.059 -0.859 0.000 0.901 1173 L HN 0.275 nan 8.230 nan 0.000 0.433 1174 I N 0.066 120.580 120.570 -0.094 0.000 2.315 1174 I HA -0.283 3.887 4.170 0.001 0.000 0.248 1174 I C 2.168 178.303 176.117 0.030 0.000 1.117 1174 I CA 1.352 62.648 61.300 -0.006 0.000 1.404 1174 I CB -0.243 37.748 38.000 -0.015 0.000 1.071 1174 I HN 0.300 nan 8.210 nan 0.000 0.419 1175 D N 1.048 121.477 120.400 0.049 0.000 2.097 1175 D HA -0.183 4.458 4.640 0.001 0.000 0.195 1175 D C 2.202 178.524 176.300 0.037 0.000 0.989 1175 D CA 1.544 55.578 54.000 0.056 0.000 0.827 1175 D CB 0.089 40.954 40.800 0.108 0.000 0.966 1175 D HN 0.280 nan 8.370 nan 0.000 0.456 1176 A N 0.052 122.921 122.820 0.081 0.000 1.933 1176 A HA -0.097 4.224 4.320 0.001 0.000 0.218 1176 A C 2.303 179.974 177.584 0.145 0.000 1.175 1176 A CA 1.266 53.382 52.037 0.131 0.000 0.628 1176 A CB -0.851 18.300 19.000 0.252 0.000 0.814 1176 A HN 0.435 nan 8.150 nan 0.000 0.444 1177 L N -0.763 120.596 121.223 0.227 0.000 2.095 1177 L HA -0.055 4.286 4.340 0.001 0.000 0.204 1177 L C 2.365 179.261 176.870 0.043 0.000 1.080 1177 L CA 1.107 56.041 54.840 0.157 0.000 0.759 1177 L CB -0.146 42.067 42.059 0.257 0.000 0.914 1177 L HN 0.161 nan 8.230 nan 0.000 0.439 1178 V N 0.216 120.115 119.914 -0.024 0.000 2.343 1178 V HA -0.290 3.831 4.120 0.001 0.000 0.247 1178 V C 2.086 178.199 176.094 0.032 0.000 1.051 1178 V CA 2.026 64.267 62.300 -0.098 0.000 1.036 1178 V CB -0.640 31.145 31.823 -0.062 0.000 0.654 1178 V HN 0.499 nan 8.190 nan 0.000 0.451 1179 D N -0.191 120.179 120.400 -0.051 0.000 2.182 1179 D HA -0.204 4.436 4.640 0.001 0.000 0.201 1179 D C 1.881 178.225 176.300 0.074 0.000 0.986 1179 D CA 1.564 55.468 54.000 -0.160 0.000 0.847 1179 D CB -0.350 40.324 40.800 -0.211 0.000 0.942 1179 D HN 0.541 nan 8.370 nan 0.000 0.467 1180 D N -0.810 119.679 120.400 0.150 0.000 2.149 1180 D HA -0.211 4.429 4.640 0.001 0.000 0.198 1180 D C 1.662 178.164 176.300 0.337 0.000 0.990 1180 D CA 0.918 55.043 54.000 0.208 0.000 0.839 1180 D CB -0.150 40.757 40.800 0.178 0.000 0.948 1180 D HN 0.173 nan 8.370 nan 0.000 0.460 1181 Y N -0.548 119.855 120.300 0.172 0.000 2.256 1181 Y HA -0.098 4.452 4.550 0.001 0.000 0.288 1181 Y C 1.982 177.968 175.900 0.143 0.000 1.155 1181 Y CA 0.612 58.812 58.100 0.165 0.000 1.203 1181 Y CB -0.729 37.823 38.460 0.153 0.000 0.980 1181 Y HN 0.048 nan 8.280 nan 0.000 0.530 1182 F N -1.439 118.579 119.950 0.113 0.000 2.269 1182 F HA -0.188 4.340 4.527 0.001 0.000 0.301 1182 F C 2.295 178.112 175.800 0.029 0.000 1.082 1182 F CA 0.828 58.844 58.000 0.027 0.000 1.360 1182 F CB -0.982 37.999 39.000 -0.031 0.000 1.041 1182 F HN -0.183 nan 8.300 nan 0.000 0.512 1183 V N -0.648 119.399 119.914 0.221 0.000 2.323 1183 V HA -0.250 3.871 4.120 0.001 0.000 0.244 1183 V C 2.354 178.502 176.094 0.090 0.000 1.041 1183 V CA 1.302 63.682 62.300 0.134 0.000 1.025 1183 V CB -0.634 31.257 31.823 0.114 0.000 0.656 1183 V HN 0.179 nan 8.190 nan 0.000 0.451 1184 L N -0.608 120.651 121.223 0.060 0.000 2.012 1184 L HA -0.200 4.140 4.340 0.001 0.000 0.210 1184 L C 2.277 179.124 176.870 -0.039 0.000 1.073 1184 L CA 1.919 56.748 54.840 -0.019 0.000 0.748 1184 L CB -0.513 41.470 42.059 -0.127 0.000 0.891 1184 L HN 0.249 nan 8.230 nan 0.000 0.431 1185 L N -1.247 119.955 121.223 -0.036 0.000 2.046 1185 L HA -0.233 4.107 4.340 0.001 0.000 0.208 1185 L C 2.544 179.489 176.870 0.125 0.000 1.077 1185 L CA 1.285 56.125 54.840 -0.000 0.000 0.747 1185 L CB -0.597 41.344 42.059 -0.196 0.000 0.896 1185 L HN 0.271 nan 8.230 nan 0.000 0.432 1186 E N 0.796 121.042 120.200 0.077 0.000 2.118 1186 E HA -0.226 4.125 4.350 0.001 0.000 0.195 1186 E C 2.110 178.755 176.600 0.076 0.000 0.992 1186 E CA 1.459 57.911 56.400 0.086 0.000 0.804 1186 E CB 0.048 29.799 29.700 0.084 0.000 0.741 1186 E HN 0.255 nan 8.360 nan 0.000 0.458 1187 K N -0.431 120.014 120.400 0.075 0.000 2.211 1187 K HA -0.028 4.293 4.320 0.001 0.000 0.203 1187 K C 2.006 178.634 176.600 0.047 0.000 1.050 1187 K CA 1.149 57.491 56.287 0.092 0.000 0.945 1187 K CB 0.014 32.611 32.500 0.162 0.000 0.732 1187 K HN 0.275 nan 8.250 nan 0.000 0.451 1188 I N 0.250 120.816 120.570 -0.006 0.000 2.703 1188 I HA -0.152 4.018 4.170 0.001 0.000 0.259 1188 I C 2.013 178.002 176.117 -0.214 0.000 1.151 1188 I CA 0.632 61.876 61.300 -0.094 0.000 1.470 1188 I CB -0.088 37.873 38.000 -0.064 0.000 1.112 1188 I HN 0.081 nan 8.210 nan 0.000 0.437 1189 D N 1.590 121.918 120.400 -0.120 0.000 2.092 1189 D HA -0.253 4.387 4.640 0.001 0.000 0.193 1189 D C 1.641 177.829 176.300 -0.186 0.000 0.994 1189 D CA 1.671 55.500 54.000 -0.284 0.000 0.828 1189 D CB 0.017 40.838 40.800 0.034 0.000 0.963 1189 D HN 0.131 nan 8.370 nan 0.000 0.450 1190 D N -0.578 119.781 120.400 -0.069 0.000 2.310 1190 D HA -0.090 4.551 4.640 0.001 0.000 0.212 1190 D C 1.740 178.018 176.300 -0.038 0.000 0.965 1190 D CA 0.526 54.504 54.000 -0.037 0.000 0.879 1190 D CB -0.090 40.716 40.800 0.010 0.000 0.921 1190 D HN 0.353 nan 8.370 nan 0.000 0.510 1191 E N 0.596 120.763 120.200 -0.056 0.000 2.014 1191 E HA -0.033 4.317 4.350 0.001 0.000 0.190 1191 E C 2.112 178.640 176.600 -0.120 0.000 0.980 1191 E CA 0.527 56.903 56.400 -0.041 0.000 0.807 1191 E CB -0.276 29.414 29.700 -0.017 0.000 0.770 1191 E HN 0.144 nan 8.360 nan 0.000 0.451 1192 I N 1.398 121.836 120.570 -0.220 0.000 2.113 1192 I HA -0.369 3.802 4.170 0.001 0.000 0.242 1192 I C 2.045 178.060 176.117 -0.170 0.000 1.064 1192 I CA 1.730 62.883 61.300 -0.245 0.000 1.320 1192 I CB -0.499 37.258 38.000 -0.404 0.000 1.028 1192 I HN 0.226 nan 8.210 nan 0.000 0.406 1193 D N 0.369 120.673 120.400 -0.161 0.000 2.200 1193 D HA -0.189 4.452 4.640 0.001 0.000 0.192 1193 D C 2.212 178.472 176.300 -0.067 0.000 1.008 1193 D CA 1.609 55.548 54.000 -0.102 0.000 0.872 1193 D CB -0.145 40.607 40.800 -0.079 0.000 0.923 1193 D HN 0.201 nan 8.370 nan 0.000 0.447 1194 V N 0.306 120.187 119.914 -0.055 0.000 2.331 1194 V HA -0.137 3.984 4.120 0.001 0.000 0.242 1194 V C 1.822 177.894 176.094 -0.036 0.000 1.034 1194 V CA 0.637 62.919 62.300 -0.029 0.000 1.027 1194 V CB -0.113 31.708 31.823 -0.003 0.000 0.667 1194 V HN 0.112 nan 8.190 nan 0.000 0.457 1195 L N 0.525 121.712 121.223 -0.060 0.000 2.762 1195 L HA 0.062 4.402 4.340 0.001 0.000 0.250 1195 L C 1.775 178.603 176.870 -0.070 0.000 1.160 1195 L CA 1.285 56.081 54.840 -0.073 0.000 0.951 1195 L CB -1.139 40.842 42.059 -0.130 0.000 1.148 1195 L HN 0.451 nan 8.230 nan 0.000 0.424 1196 E N -1.178 118.987 120.200 -0.058 0.000 2.354 1196 E HA -0.024 4.327 4.350 0.001 0.000 0.203 1196 E C 1.467 178.054 176.600 -0.021 0.000 0.841 1196 E CA -0.065 56.307 56.400 -0.047 0.000 1.046 1196 E CB 0.406 30.066 29.700 -0.067 0.000 1.040 1196 E HN 0.358 nan 8.360 nan 0.000 0.504 1197 E N 1.063 121.250 120.200 -0.021 0.000 2.097 1197 E HA -0.234 4.116 4.350 0.001 0.000 0.196 1197 E C 1.568 178.172 176.600 0.006 0.000 1.000 1197 E CA 1.123 57.518 56.400 -0.009 0.000 0.804 1197 E CB -0.064 29.630 29.700 -0.010 0.000 0.740 1197 E HN 0.225 nan 8.360 nan 0.000 0.454 1198 E N 0.059 120.263 120.200 0.007 0.000 2.510 1198 E HA -0.097 4.254 4.350 0.001 0.000 0.202 1198 E C 1.378 178.017 176.600 0.065 0.000 1.072 1198 E CA 0.250 56.666 56.400 0.026 0.000 0.883 1198 E CB 0.269 29.975 29.700 0.011 0.000 0.818 1198 E HN 0.002 nan 8.360 nan 0.000 0.548 1199 V N -0.918 119.036 119.914 0.065 0.000 3.359 1199 V HA -0.022 4.098 4.120 0.001 0.000 0.245 1199 V C 1.412 177.548 176.094 0.070 0.000 1.247 1199 V CA 0.114 62.493 62.300 0.132 0.000 1.145 1199 V CB 0.165 32.062 31.823 0.124 0.000 0.906 1199 V HN 0.203 nan 8.190 nan 0.000 0.464 1200 L N 0.349 121.588 121.223 0.027 0.000 2.068 1200 L HA 0.109 4.450 4.340 0.001 0.000 0.204 1200 L C 1.422 178.288 176.870 -0.006 0.000 1.076 1200 L CA 1.758 56.599 54.840 0.002 0.000 0.753 1200 L CB -0.731 41.324 42.059 -0.006 0.000 0.910 1200 L HN 0.387 nan 8.230 nan 0.000 0.439 1201 E N -0.936 119.265 120.200 0.002 0.000 4.052 1201 E HA 0.269 4.619 4.350 0.001 0.000 0.219 1201 E C -0.156 176.448 176.600 0.006 0.000 1.166 1201 E CA 0.017 56.416 56.400 -0.003 0.000 1.338 1201 E CB 0.322 30.019 29.700 -0.006 0.000 1.212 1201 E HN 0.067 nan 8.360 nan 0.000 0.432 1202 R N 0.236 120.746 120.500 0.016 0.000 2.557 1202 R HA 0.091 4.431 4.340 0.001 0.000 0.114 1202 R C -2.742 173.592 176.300 0.056 0.000 0.607 1202 R CA -0.487 55.631 56.100 0.029 0.000 0.814 1202 R CB -0.023 30.295 30.300 0.031 0.000 1.003 1202 R HN 0.053 nan 8.270 nan 0.000 0.619 1203 P HA -0.068 nan 4.420 nan 0.000 0.240 1203 P C -0.439 176.919 177.300 0.097 0.000 1.594 1203 P CA 0.552 63.687 63.100 0.058 0.000 1.184 1203 P CB -0.080 31.555 31.700 -0.108 0.000 1.915 1204 E N 0.661 120.945 120.200 0.141 0.000 3.769 1204 E HA 0.298 4.649 4.350 0.001 0.000 0.318 1204 E C 1.056 177.728 176.600 0.121 0.000 0.894 1204 E CA -0.732 55.726 56.400 0.097 0.000 1.973 1204 E CB 0.403 30.139 29.700 0.059 0.000 1.858 1204 E HN -0.193 nan 8.360 nan 0.000 0.628 1205 K N 0.359 120.798 120.400 0.066 0.000 2.139 1205 K HA -0.053 4.267 4.320 0.001 0.000 0.217 1205 K C 1.726 178.330 176.600 0.006 0.000 1.025 1205 K CA 1.358 57.671 56.287 0.044 0.000 0.947 1205 K CB -0.363 32.152 32.500 0.026 0.000 0.897 1205 K HN 0.677 nan 8.250 nan 0.000 0.457 1206 E N 0.618 120.818 120.200 -0.000 0.000 2.405 1206 E HA -0.021 4.329 4.350 0.001 0.000 0.194 1206 E C 0.825 177.405 176.600 -0.034 0.000 1.149 1206 E CA 0.387 56.777 56.400 -0.017 0.000 0.933 1206 E CB -0.091 29.610 29.700 0.001 0.000 1.028 1206 E HN 0.089 nan 8.360 nan 0.000 0.487 1207 T N 0.116 114.639 114.554 -0.052 0.000 2.821 1207 T HA -0.090 4.261 4.350 0.001 0.000 0.267 1207 T C 1.748 176.328 174.700 -0.199 0.000 1.046 1207 T CA 0.970 63.016 62.100 -0.089 0.000 1.139 1207 T CB 0.022 68.870 68.868 -0.033 0.000 0.871 1207 T HN 0.142 nan 8.240 nan 0.000 0.454 1208 V N 2.175 121.909 119.914 -0.299 0.000 2.261 1208 V HA -0.229 3.891 4.120 0.001 0.000 0.246 1208 V C 2.627 178.630 176.094 -0.153 0.000 1.047 1208 V CA 2.273 64.368 62.300 -0.340 0.000 1.015 1208 V CB -0.769 30.825 31.823 -0.382 0.000 0.642 1208 V HN 0.658 nan 8.190 nan 0.000 0.446 1209 Q N 0.353 120.098 119.800 -0.092 0.000 2.291 1209 Q HA -0.216 4.124 4.340 0.001 0.000 0.205 1209 Q C 2.190 178.190 176.000 0.001 0.000 0.970 1209 Q CA 1.831 57.621 55.803 -0.020 0.000 0.876 1209 Q CB -0.374 28.358 28.738 -0.011 0.000 0.935 1209 Q HN 0.539 nan 8.270 nan 0.000 0.455 1210 R N -0.269 120.209 120.500 -0.037 0.000 2.119 1210 R HA -0.009 4.332 4.340 0.001 0.000 0.222 1210 R C 1.665 177.897 176.300 -0.113 0.000 1.088 1210 R CA 1.553 57.617 56.100 -0.060 0.000 0.984 1210 R CB 0.013 30.277 30.300 -0.060 0.000 0.884 1210 R HN 0.299 nan 8.270 nan 0.000 0.447 1211 T N -0.753 113.740 114.554 -0.101 0.000 2.812 1211 T HA -0.137 4.213 4.350 0.001 0.000 0.264 1211 T C 1.343 176.010 174.700 -0.056 0.000 1.042 1211 T CA 1.510 63.549 62.100 -0.101 0.000 1.140 1211 T CB -0.260 68.537 68.868 -0.118 0.000 0.870 1211 T HN 0.404 nan 8.240 nan 0.000 0.445 1212 H N 0.971 119.976 119.070 -0.108 0.000 2.423 1212 H HA 0.054 4.611 4.556 0.001 0.000 0.297 1212 H C 2.417 177.705 175.328 -0.067 0.000 1.075 1212 H CA 1.249 57.248 56.048 -0.082 0.000 1.342 1212 H CB -0.018 29.700 29.762 -0.073 0.000 1.395 1212 H HN 0.123 nan 8.280 nan 0.000 0.530 1213 Q N -0.178 119.575 119.800 -0.078 0.000 2.135 1213 Q HA -0.129 4.211 4.340 0.001 0.000 0.204 1213 Q C 2.357 178.275 176.000 -0.136 0.000 0.981 1213 Q CA 1.098 56.843 55.803 -0.097 0.000 0.856 1213 Q CB -0.427 28.305 28.738 -0.010 0.000 0.902 1213 Q HN 0.422 nan 8.270 nan 0.000 0.425 1214 L N 1.247 122.381 121.223 -0.149 0.000 2.027 1214 L HA -0.168 4.172 4.340 0.001 0.000 0.206 1214 L C 2.418 179.189 176.870 -0.165 0.000 1.074 1214 L CA 1.924 56.670 54.840 -0.156 0.000 0.745 1214 L CB -0.561 41.397 42.059 -0.168 0.000 0.898 1214 L HN 0.104 nan 8.230 nan 0.000 0.433 1215 K N -0.713 119.578 120.400 -0.182 0.000 2.032 1215 K HA -0.286 4.035 4.320 0.001 0.000 0.209 1215 K C 2.351 178.822 176.600 -0.215 0.000 1.048 1215 K CA 1.646 57.824 56.287 -0.181 0.000 0.927 1215 K CB -0.180 32.220 32.500 -0.167 0.000 0.712 1215 K HN 0.138 nan 8.250 nan 0.000 0.441 1216 R N 1.235 121.552 120.500 -0.306 0.000 2.094 1216 R HA -0.144 4.197 4.340 0.001 0.000 0.239 1216 R C 1.535 177.736 176.300 -0.165 0.000 1.137 1216 R CA 2.601 58.549 56.100 -0.254 0.000 0.943 1216 R CB -0.861 29.267 30.300 -0.288 0.000 0.850 1216 R HN 0.458 nan 8.270 nan 0.000 0.433 1217 N N -0.657 117.952 118.700 -0.151 0.000 2.188 1217 N HA -0.117 4.624 4.740 0.001 0.000 0.184 1217 N C 1.313 176.709 175.510 -0.190 0.000 1.018 1217 N CA 0.982 53.943 53.050 -0.149 0.000 0.858 1217 N CB -0.095 38.323 38.487 -0.115 0.000 0.989 1217 N HN 0.069 nan 8.380 nan 0.000 0.426 1218 L N 0.473 121.596 121.223 -0.167 0.000 2.109 1218 L HA -0.058 4.282 4.340 0.001 0.000 0.207 1218 L C 2.076 178.863 176.870 -0.138 0.000 1.086 1218 L CA 1.040 55.792 54.840 -0.146 0.000 0.760 1218 L CB -0.521 41.479 42.059 -0.099 0.000 0.910 1218 L HN 0.021 nan 8.230 nan 0.000 0.437 1219 V N -0.743 119.091 119.914 -0.133 0.000 2.295 1219 V HA -0.266 3.855 4.120 0.001 0.000 0.246 1219 V C 2.593 178.627 176.094 -0.100 0.000 1.049 1219 V CA 1.629 63.857 62.300 -0.120 0.000 1.024 1219 V CB -0.478 31.279 31.823 -0.111 0.000 0.648 1219 V HN 0.467 nan 8.190 nan 0.000 0.447 1220 E N -0.301 119.836 120.200 -0.105 0.000 2.118 1220 E HA -0.249 4.102 4.350 0.001 0.000 0.195 1220 E C 2.118 178.653 176.600 -0.108 0.000 0.992 1220 E CA 1.490 57.839 56.400 -0.085 0.000 0.804 1220 E CB -0.113 29.523 29.700 -0.106 0.000 0.741 1220 E HN 0.425 nan 8.360 nan 0.000 0.458 1221 L N 1.154 122.260 121.223 -0.196 0.000 1.982 1221 L HA -0.124 4.216 4.340 0.001 0.000 0.206 1221 L C 2.739 179.593 176.870 -0.026 0.000 1.078 1221 L CA 1.871 56.580 54.840 -0.219 0.000 0.749 1221 L CB -0.716 41.170 42.059 -0.289 0.000 0.894 1221 L HN -0.007 nan 8.230 nan 0.000 0.436 1222 R N -0.037 120.429 120.500 -0.057 0.000 2.159 1222 R HA -0.282 4.058 4.340 0.001 0.000 0.249 1222 R C 1.332 177.652 176.300 0.033 0.000 1.136 1222 R CA 2.234 58.310 56.100 -0.039 0.000 0.951 1222 R CB -0.305 29.898 30.300 -0.163 0.000 0.876 1222 R HN 0.133 nan 8.270 nan 0.000 0.440 1223 K N -0.216 120.194 120.400 0.016 0.000 2.836 1223 K HA 0.036 4.356 4.320 0.001 0.000 0.236 1223 K C 0.016 176.710 176.600 0.157 0.000 1.015 1223 K CA 0.671 57.001 56.287 0.071 0.000 1.194 1223 K CB 0.395 32.910 32.500 0.025 0.000 1.002 1223 K HN 0.224 nan 8.250 nan 0.000 0.479 1224 T N -1.651 113.040 114.554 0.227 0.000 3.131 1224 T HA 0.222 4.572 4.350 0.001 0.000 0.283 1224 T C 0.885 175.792 174.700 0.344 0.000 0.906 1224 T CA -0.136 62.146 62.100 0.303 0.000 0.882 1224 T CB 0.199 69.335 68.868 0.446 0.000 1.208 1224 T HN -0.001 nan 8.240 nan 0.000 0.561 1225 I N -0.679 120.095 120.570 0.340 0.000 2.512 1225 I HA 0.186 4.356 4.170 0.001 0.000 0.247 1225 I C 1.850 178.125 176.117 0.263 0.000 1.094 1225 I CA 0.537 62.024 61.300 0.311 0.000 1.427 1225 I CB -0.191 37.997 38.000 0.314 0.000 1.149 1225 I HN 0.198 nan 8.210 nan 0.000 0.438 1226 W N 2.432 123.761 121.300 0.049 0.000 2.308 1226 W HA -0.173 4.488 4.660 0.001 0.000 0.301 1226 W C -0.352 176.185 176.519 0.029 0.000 1.220 1226 W CA 1.726 59.086 57.345 0.025 0.000 1.240 1226 W CB -1.900 27.570 29.460 0.016 0.000 1.142 1226 W HN 0.200 nan 8.180 nan 0.000 0.521 1227 P HA -0.126 nan 4.420 nan 0.000 0.217 1227 P C 1.918 179.251 177.300 0.054 0.000 1.154 1227 P CA 1.315 64.484 63.100 0.115 0.000 0.841 1227 P CB -0.419 31.348 31.700 0.113 0.000 0.790 1228 L N -0.286 120.973 121.223 0.061 0.000 2.191 1228 L HA -0.087 4.253 4.340 0.001 0.000 0.212 1228 L C 2.808 179.673 176.870 -0.009 0.000 1.103 1228 L CA 1.401 56.243 54.840 0.003 0.000 0.769 1228 L CB -0.406 41.637 42.059 -0.027 0.000 0.908 1228 L HN -0.202 nan 8.230 nan 0.000 0.438 1229 R N -0.299 120.196 120.500 -0.008 0.000 2.090 1229 R HA -0.206 4.135 4.340 0.001 0.000 0.228 1229 R C 2.060 178.373 176.300 0.022 0.000 1.110 1229 R CA 1.595 57.674 56.100 -0.035 0.000 0.973 1229 R CB -0.075 30.132 30.300 -0.155 0.000 0.869 1229 R HN 0.363 nan 8.270 nan 0.000 0.440 1230 E N 0.046 120.240 120.200 -0.011 0.000 2.208 1230 E HA -0.071 4.279 4.350 0.001 0.000 0.193 1230 E C 1.841 178.449 176.600 0.013 0.000 0.988 1230 E CA 0.661 57.060 56.400 -0.002 0.000 0.828 1230 E CB 0.018 29.709 29.700 -0.016 0.000 0.763 1230 E HN 0.111 nan 8.360 nan 0.000 0.478 1231 V N 0.253 120.169 119.914 0.003 0.000 2.255 1231 V HA -0.258 3.863 4.120 0.001 0.000 0.247 1231 V C 2.038 178.158 176.094 0.043 0.000 1.051 1231 V CA 1.615 63.904 62.300 -0.018 0.000 1.018 1231 V CB -0.401 31.393 31.823 -0.049 0.000 0.641 1231 V HN 0.264 nan 8.190 nan 0.000 0.445 1232 L N -0.428 120.856 121.223 0.101 0.000 2.478 1232 L HA 0.007 4.347 4.340 0.001 0.000 0.223 1232 L C 2.456 179.368 176.870 0.070 0.000 1.140 1232 L CA 1.459 56.422 54.840 0.206 0.000 0.842 1232 L CB -0.586 41.624 42.059 0.252 0.000 0.953 1232 L HN 0.261 nan 8.230 nan 0.000 0.452 1233 S N -1.811 113.882 115.700 -0.011 0.000 2.377 1233 S HA -0.103 4.367 4.470 0.001 0.000 0.223 1233 S C 2.214 176.772 174.600 -0.070 0.000 1.030 1233 S CA 1.363 59.383 58.200 -0.299 0.000 0.970 1233 S CB -0.004 63.176 63.200 -0.032 0.000 0.830 1233 S HN 0.381 nan 8.310 nan 0.000 0.473 1234 S N 0.510 116.239 115.700 0.047 0.000 2.489 1234 S HA 0.165 4.635 4.470 0.001 0.000 0.228 1234 S C 1.275 176.051 174.600 0.294 0.000 0.995 1234 S CA 0.187 58.468 58.200 0.134 0.000 0.934 1234 S CB -0.189 63.060 63.200 0.081 0.000 0.771 1234 S HN 0.382 nan 8.310 nan 0.000 0.522 1235 L N 0.438 121.831 121.223 0.283 0.000 2.599 1235 L HA 0.307 4.648 4.340 0.001 0.000 0.230 1235 L C 1.001 178.152 176.870 0.468 0.000 1.141 1235 L CA 0.880 55.945 54.840 0.375 0.000 0.877 1235 L CB -0.448 41.731 42.059 0.200 0.000 1.009 1235 L HN 0.429 nan 8.230 nan 0.000 0.447 1236 Y N -0.530 119.971 120.300 0.334 0.000 2.607 1236 Y HA 0.050 4.600 4.550 0.001 0.000 0.276 1236 Y C 2.404 178.373 175.900 0.117 0.000 1.117 1236 Y CA 0.661 58.989 58.100 0.380 0.000 1.273 1236 Y CB 0.096 38.428 38.460 -0.212 0.000 1.282 1236 Y HN 0.171 nan 8.280 nan 0.000 0.514 1237 R N -0.334 120.237 120.500 0.119 0.000 2.115 1237 R HA -0.029 4.311 4.340 0.001 0.000 0.230 1237 R C 0.735 176.989 176.300 -0.077 0.000 1.111 1237 R CA 1.850 57.954 56.100 0.006 0.000 0.976 1237 R CB -0.319 30.005 30.300 0.040 0.000 0.870 1237 R HN 0.269 nan 8.270 nan 0.000 0.445 1238 D N -0.331 120.010 120.400 -0.098 0.000 3.059 1238 D HA 0.195 4.836 4.640 0.001 0.000 0.231 1238 D C -0.724 175.390 176.300 -0.310 0.000 1.331 1238 D CA 1.131 54.981 54.000 -0.249 0.000 1.288 1238 D CB 0.993 41.543 40.800 -0.416 0.000 0.922 1238 D HN -0.074 nan 8.370 nan 0.000 0.197 1239 V N 0.690 120.273 119.914 -0.551 0.000 3.497 1239 V HA -0.144 3.976 4.120 0.001 0.000 0.484 1239 V C -1.988 173.919 176.094 -0.311 0.000 0.682 1239 V CA -0.011 62.041 62.300 -0.414 0.000 2.014 1239 V CB -1.016 30.698 31.823 -0.182 0.000 2.451 1239 V HN 0.373 nan 8.190 nan 0.000 0.502 1240 P HA 0.109 nan 4.420 nan 0.000 0.206 1240 P C -1.808 175.424 177.300 -0.113 0.000 1.212 1240 P CA 1.014 64.011 63.100 -0.171 0.000 0.919 1240 P CB -0.612 31.006 31.700 -0.137 0.000 0.755 1241 P HA 0.088 nan 4.420 nan 0.000 0.274 1241 P C -0.328 176.899 177.300 -0.122 0.000 1.291 1241 P CA 0.397 63.450 63.100 -0.079 0.000 0.815 1241 P CB -0.080 31.591 31.700 -0.049 0.000 0.897 1242 L N 1.464 122.621 121.223 -0.111 0.000 2.953 1242 L HA 0.391 4.731 4.340 0.001 0.000 0.258 1242 L C 0.536 177.363 176.870 -0.071 0.000 1.100 1242 L CA 0.064 54.833 54.840 -0.118 0.000 0.971 1242 L CB -1.363 40.642 42.059 -0.090 0.000 1.474 1242 L HN 0.059 nan 8.230 nan 0.000 0.540 1243 I N 2.077 122.616 120.570 -0.051 0.000 6.400 1243 I HA -0.335 3.835 4.170 0.001 0.000 0.126 1243 I C 1.627 177.745 176.117 0.003 0.000 1.494 1243 I CA 0.790 62.076 61.300 -0.024 0.000 2.484 1243 I CB -0.984 37.004 38.000 -0.020 0.000 2.837 1243 I HN 0.601 nan 8.210 nan 0.000 0.286 1244 E N 4.753 124.950 120.200 -0.005 0.000 2.194 1244 E HA -0.301 4.049 4.350 0.001 0.000 0.246 1244 E C 1.195 177.821 176.600 0.044 0.000 0.974 1244 E CA 2.411 58.815 56.400 0.007 0.000 0.949 1244 E CB 0.017 29.711 29.700 -0.010 0.000 0.896 1244 E HN 0.625 nan 8.360 nan 0.000 0.550 1245 K N 0.432 120.855 120.400 0.038 0.000 2.836 1245 K HA -0.018 4.302 4.320 0.001 0.000 0.236 1245 K C 0.763 177.411 176.600 0.079 0.000 1.015 1245 K CA 0.024 56.346 56.287 0.057 0.000 1.194 1245 K CB 0.255 32.778 32.500 0.037 0.000 1.002 1245 K HN 0.188 nan 8.250 nan 0.000 0.479 1246 E N -1.182 119.077 120.200 0.098 0.000 2.905 1246 E HA 0.037 4.387 4.350 0.001 0.000 0.197 1246 E C 1.306 178.035 176.600 0.215 0.000 1.016 1246 E CA 0.900 57.370 56.400 0.117 0.000 1.307 1246 E CB 0.398 30.132 29.700 0.056 0.000 1.255 1246 E HN 0.059 nan 8.360 nan 0.000 0.527 1247 T N 1.128 115.804 114.554 0.204 0.000 3.040 1247 T HA 0.083 4.433 4.350 0.001 0.000 0.252 1247 T C 2.044 177.043 174.700 0.498 0.000 1.064 1247 T CA 0.328 62.601 62.100 0.288 0.000 1.110 1247 T CB 0.328 69.229 68.868 0.055 0.000 0.921 1247 T HN -0.132 nan 8.240 nan 0.000 0.480 1248 V N 3.048 123.197 119.914 0.392 0.000 2.270 1248 V HA -0.063 4.057 4.120 0.001 0.000 0.245 1248 V C -0.524 175.863 176.094 0.488 0.000 1.043 1248 V CA 1.613 64.236 62.300 0.539 0.000 1.014 1248 V CB -1.085 30.882 31.823 0.240 0.000 0.645 1248 V HN 0.353 nan 8.190 nan 0.000 0.447 1249 P HA -0.144 nan 4.420 nan 0.000 0.237 1249 P C 1.240 178.673 177.300 0.221 0.000 1.178 1249 P CA 1.116 64.340 63.100 0.207 0.000 0.766 1249 P CB -0.067 31.720 31.700 0.146 0.000 0.876 1250 Y N 1.760 122.208 120.300 0.247 0.000 2.130 1250 Y HA -0.163 4.387 4.550 0.001 0.000 0.287 1250 Y C 2.205 178.208 175.900 0.171 0.000 1.124 1250 Y CA 1.637 59.873 58.100 0.226 0.000 1.118 1250 Y CB -0.957 37.689 38.460 0.309 0.000 0.994 1250 Y HN -0.107 nan 8.280 nan 0.000 0.497 1251 F N 0.445 120.529 119.950 0.224 0.000 2.780 1251 F HA 0.175 4.702 4.527 0.001 0.000 0.299 1251 F C 2.181 177.949 175.800 -0.053 0.000 1.146 1251 F CA 0.599 58.553 58.000 -0.076 0.000 1.428 1251 F CB -0.588 38.153 39.000 -0.431 0.000 1.115 1251 F HN -0.081 nan 8.300 nan 0.000 0.583 1252 R N 1.145 121.270 120.500 -0.624 0.000 2.117 1252 R HA -0.258 4.083 4.340 0.001 0.000 0.243 1252 R C 0.981 177.054 176.300 -0.378 0.000 1.143 1252 R CA 2.126 57.941 56.100 -0.475 0.000 0.968 1252 R CB -0.738 29.492 30.300 -0.115 0.000 0.863 1252 R HN 0.387 nan 8.270 nan 0.000 0.444 1253 D N -0.569 119.606 120.400 -0.375 0.000 2.413 1253 D HA 0.037 4.677 4.640 0.001 0.000 0.237 1253 D C 0.413 176.336 176.300 -0.627 0.000 1.171 1253 D CA 0.057 53.762 54.000 -0.492 0.000 0.839 1253 D CB 0.630 41.175 40.800 -0.425 0.000 0.950 1253 D HN 0.121 nan 8.370 nan 0.000 0.499 1254 V N -0.407 119.254 119.914 -0.422 0.000 3.305 1254 V HA 0.013 4.133 4.120 0.001 0.000 0.247 1254 V C 1.400 177.421 176.094 -0.121 0.000 1.426 1254 V CA -0.109 62.062 62.300 -0.216 0.000 1.162 1254 V CB -0.549 31.228 31.823 -0.076 0.000 0.961 1254 V HN 0.228 nan 8.190 nan 0.000 0.449 1255 Y N 1.730 121.846 120.300 -0.307 0.000 2.373 1255 Y HA -0.117 4.434 4.550 0.001 0.000 0.293 1255 Y C 1.948 177.668 175.900 -0.299 0.000 1.129 1255 Y CA 1.726 59.648 58.100 -0.297 0.000 1.226 1255 Y CB -0.084 38.107 38.460 -0.448 0.000 1.000 1255 Y HN 0.278 nan 8.280 nan 0.000 0.549 1256 D N -0.608 119.502 120.400 -0.483 0.000 2.097 1256 D HA -0.164 4.476 4.640 0.001 0.000 0.197 1256 D C 2.039 178.165 176.300 -0.290 0.000 0.984 1256 D CA 1.600 55.314 54.000 -0.477 0.000 0.826 1256 D CB -0.319 40.229 40.800 -0.420 0.000 0.973 1256 D HN 0.441 nan 8.370 nan 0.000 0.460 1257 H N -0.177 118.804 119.070 -0.148 0.000 2.321 1257 H HA -0.069 4.487 4.556 0.001 0.000 0.300 1257 H C 2.209 177.536 175.328 -0.001 0.000 1.087 1257 H CA 1.464 57.527 56.048 0.024 0.000 1.319 1257 H CB -0.880 28.887 29.762 0.009 0.000 1.379 1257 H HN 0.100 nan 8.280 nan 0.000 0.501 1258 T N 0.631 115.196 114.554 0.018 0.000 2.849 1258 T HA -0.095 4.255 4.350 0.001 0.000 0.270 1258 T C 2.237 176.844 174.700 -0.155 0.000 1.066 1258 T CA 0.918 62.980 62.100 -0.063 0.000 1.130 1258 T CB -0.309 68.519 68.868 -0.067 0.000 0.864 1258 T HN 0.179 nan 8.240 nan 0.000 0.481 1259 I N 0.175 120.575 120.570 -0.282 0.000 2.193 1259 I HA -0.117 4.054 4.170 0.001 0.000 0.240 1259 I C 2.788 178.797 176.117 -0.181 0.000 1.084 1259 I CA 1.189 62.306 61.300 -0.304 0.000 1.365 1259 I CB -0.408 37.328 38.000 -0.439 0.000 1.064 1259 I HN 0.255 nan 8.210 nan 0.000 0.410 1260 Q N 0.992 120.714 119.800 -0.131 0.000 2.181 1260 Q HA -0.224 4.116 4.340 0.001 0.000 0.205 1260 Q C 2.280 178.158 176.000 -0.203 0.000 0.980 1260 Q CA 1.689 57.418 55.803 -0.124 0.000 0.862 1260 Q CB -0.041 28.673 28.738 -0.038 0.000 0.905 1260 Q HN 0.529 nan 8.270 nan 0.000 0.429 1261 I N 0.260 120.721 120.570 -0.183 0.000 2.090 1261 I HA -0.264 3.907 4.170 0.001 0.000 0.236 1261 I C 2.158 178.198 176.117 -0.128 0.000 1.064 1261 I CA 1.212 62.393 61.300 -0.199 0.000 1.324 1261 I CB -0.440 37.541 38.000 -0.033 0.000 1.044 1261 I HN 0.146 nan 8.210 nan 0.000 0.399 1262 A N -0.571 122.229 122.820 -0.034 0.000 2.248 1262 A HA -0.179 4.141 4.320 0.001 0.000 0.210 1262 A C 1.675 179.301 177.584 0.070 0.000 1.174 1262 A CA 1.476 53.563 52.037 0.084 0.000 0.750 1262 A CB -0.496 18.579 19.000 0.125 0.000 0.780 1262 A HN 0.408 nan 8.150 nan 0.000 0.478 1263 D N -1.771 118.596 120.400 -0.056 0.000 2.431 1263 D HA 0.007 4.647 4.640 0.001 0.000 0.235 1263 D C 1.942 178.166 176.300 -0.126 0.000 0.980 1263 D CA 1.339 55.304 54.000 -0.058 0.000 0.912 1263 D CB 0.090 40.839 40.800 -0.085 0.000 1.056 1263 D HN 0.252 nan 8.370 nan 0.000 0.494 1264 T N 0.175 114.587 114.554 -0.237 0.000 2.708 1264 T HA -0.082 4.268 4.350 0.001 0.000 0.266 1264 T C 2.086 176.417 174.700 -0.615 0.000 1.037 1264 T CA 0.945 62.793 62.100 -0.419 0.000 1.146 1264 T CB -0.175 68.371 68.868 -0.537 0.000 0.865 1264 T HN -0.055 nan 8.240 nan 0.000 0.435 1265 V N 1.666 121.298 119.914 -0.469 0.000 2.469 1265 V HA -0.110 4.010 4.120 0.001 0.000 0.251 1265 V C 2.527 178.519 176.094 -0.171 0.000 1.064 1265 V CA 1.444 63.522 62.300 -0.371 0.000 1.066 1265 V CB -0.482 31.233 31.823 -0.180 0.000 0.667 1265 V HN 0.396 nan 8.190 nan 0.000 0.461 1266 E N -0.315 119.830 120.200 -0.092 0.000 2.347 1266 E HA -0.095 4.256 4.350 0.001 0.000 0.196 1266 E C 2.263 178.859 176.600 -0.005 0.000 1.008 1266 E CA 0.986 57.368 56.400 -0.030 0.000 0.852 1266 E CB -0.229 29.494 29.700 0.039 0.000 0.783 1266 E HN 0.554 nan 8.360 nan 0.000 0.505 1267 T N 0.679 115.229 114.554 -0.006 0.000 2.809 1267 T HA -0.033 4.317 4.350 0.001 0.000 0.260 1267 T C 1.394 176.235 174.700 0.235 0.000 1.039 1267 T CA 0.467 62.624 62.100 0.094 0.000 1.141 1267 T CB -0.120 68.811 68.868 0.105 0.000 0.869 1267 T HN 0.048 nan 8.240 nan 0.000 0.437 1268 F N 1.584 121.490 119.950 -0.073 0.000 2.102 1268 F HA 0.123 4.651 4.527 0.001 0.000 0.298 1268 F C 2.221 177.967 175.800 -0.091 0.000 1.105 1268 F CA 0.652 58.598 58.000 -0.089 0.000 1.239 1268 F CB -0.643 38.288 39.000 -0.113 0.000 0.991 1268 F HN -0.033 nan 8.300 nan 0.000 0.474 1269 R N 0.469 121.036 120.500 0.111 0.000 2.541 1269 R HA -0.043 4.297 4.340 0.001 0.000 0.245 1269 R C 0.403 176.699 176.300 -0.007 0.000 1.154 1269 R CA 0.346 56.451 56.100 0.008 0.000 1.179 1269 R CB -0.423 29.849 30.300 -0.047 0.000 1.189 1269 R HN 0.191 nan 8.270 nan 0.000 0.526 1270 D N -1.522 118.889 120.400 0.017 0.000 2.266 1270 D HA 0.087 4.728 4.640 0.001 0.000 0.304 1270 D C 1.216 177.517 176.300 0.002 0.000 1.080 1270 D CA 0.091 54.093 54.000 0.004 0.000 0.850 1270 D CB 0.411 41.218 40.800 0.011 0.000 1.515 1270 D HN 0.120 nan 8.370 nan 0.000 0.531 1271 I N -0.098 120.475 120.570 0.005 0.000 2.385 1271 I HA -0.067 4.103 4.170 0.001 0.000 0.244 1271 I C 2.144 178.236 176.117 -0.041 0.000 1.089 1271 I CA 0.456 61.742 61.300 -0.023 0.000 1.410 1271 I CB 0.309 38.283 38.000 -0.043 0.000 1.117 1271 I HN -0.150 nan 8.210 nan 0.000 0.429 1272 V N 0.935 120.818 119.914 -0.052 0.000 2.490 1272 V HA -0.257 3.863 4.120 0.001 0.000 0.250 1272 V C 2.618 178.685 176.094 -0.045 0.000 1.061 1272 V CA 1.982 64.243 62.300 -0.065 0.000 1.064 1272 V CB -0.946 30.828 31.823 -0.083 0.000 0.670 1272 V HN 0.607 nan 8.190 nan 0.000 0.461 1273 S N 1.427 117.107 115.700 -0.034 0.000 2.365 1273 S HA -0.122 4.348 4.470 0.001 0.000 0.225 1273 S C 1.652 176.241 174.600 -0.019 0.000 1.039 1273 S CA 1.462 59.645 58.200 -0.027 0.000 1.033 1273 S CB -0.757 62.428 63.200 -0.026 0.000 0.887 1273 S HN 0.608 nan 8.310 nan 0.000 0.447 1274 G N 0.147 108.937 108.800 -0.017 0.000 4.420 1274 G HA2 0.592 4.552 3.960 0.001 0.000 0.299 1274 G HA3 0.592 4.552 3.960 0.001 0.000 0.299 1274 G C 0.280 175.176 174.900 -0.008 0.000 1.343 1274 G CA -0.295 44.799 45.100 -0.009 0.000 1.272 1274 G HN 0.378 nan 8.290 nan 0.000 0.610 1275 L N -0.032 121.185 121.223 -0.010 0.000 2.547 1275 L HA 0.444 4.785 4.340 0.001 0.000 0.218 1275 L C 2.143 179.027 176.870 0.022 0.000 1.048 1275 L CA 0.530 55.367 54.840 -0.006 0.000 0.859 1275 L CB 0.028 42.068 42.059 -0.033 0.000 1.128 1275 L HN 0.245 nan 8.230 nan 0.000 0.483 1276 L N -0.079 121.150 121.223 0.010 0.000 2.201 1276 L HA -0.133 4.207 4.340 0.001 0.000 0.212 1276 L C 1.533 178.451 176.870 0.081 0.000 1.105 1276 L CA 1.565 56.423 54.840 0.029 0.000 0.775 1276 L CB -0.645 41.410 42.059 -0.006 0.000 0.913 1276 L HN 0.259 nan 8.230 nan 0.000 0.440 1277 D N -1.731 118.697 120.400 0.047 0.000 2.269 1277 D HA -0.092 4.548 4.640 0.001 0.000 0.208 1277 D C 2.289 178.615 176.300 0.043 0.000 0.963 1277 D CA 0.783 54.807 54.000 0.040 0.000 0.864 1277 D CB 0.130 40.940 40.800 0.016 0.000 0.936 1277 D HN 0.152 nan 8.370 nan 0.000 0.505 1278 V N 0.255 120.200 119.914 0.052 0.000 2.379 1278 V HA -0.236 3.884 4.120 0.001 0.000 0.245 1278 V C 2.005 178.137 176.094 0.063 0.000 1.044 1278 V CA 1.209 63.534 62.300 0.043 0.000 1.036 1278 V CB -0.648 31.197 31.823 0.037 0.000 0.664 1278 V HN 0.187 nan 8.190 nan 0.000 0.453 1279 Y N 0.621 120.906 120.300 -0.025 0.000 2.049 1279 Y HA -0.285 4.265 4.550 0.001 0.000 0.277 1279 Y C 2.342 178.228 175.900 -0.023 0.000 1.143 1279 Y CA 2.075 60.160 58.100 -0.024 0.000 1.115 1279 Y CB -0.451 37.995 38.460 -0.023 0.000 0.975 1279 Y HN 0.166 nan 8.280 nan 0.000 0.487 1280 L N -0.622 120.685 121.223 0.140 0.000 2.129 1280 L HA -0.264 4.076 4.340 0.001 0.000 0.212 1280 L C 2.458 179.300 176.870 -0.047 0.000 1.087 1280 L CA 2.244 57.107 54.840 0.040 0.000 0.757 1280 L CB -0.756 41.347 42.059 0.073 0.000 0.896 1280 L HN 0.231 nan 8.230 nan 0.000 0.434 1281 S N -2.014 113.662 115.700 -0.040 0.000 2.377 1281 S HA -0.126 4.344 4.470 0.001 0.000 0.223 1281 S C 2.087 176.632 174.600 -0.091 0.000 1.030 1281 S CA 1.109 59.276 58.200 -0.054 0.000 0.970 1281 S CB -0.064 63.116 63.200 -0.033 0.000 0.830 1281 S HN 0.581 nan 8.310 nan 0.000 0.473 1282 S N 0.688 116.316 115.700 -0.120 0.000 2.368 1282 S HA -0.069 4.402 4.470 0.001 0.000 0.225 1282 S C 1.849 176.325 174.600 -0.207 0.000 1.030 1282 S CA 1.178 59.286 58.200 -0.152 0.000 0.999 1282 S CB -0.298 62.806 63.200 -0.161 0.000 0.844 1282 S HN 0.296 nan 8.310 nan 0.000 0.459 1283 V N 0.891 120.622 119.914 -0.304 0.000 2.323 1283 V HA -0.060 4.061 4.120 0.001 0.000 0.244 1283 V C 2.490 178.487 176.094 -0.161 0.000 1.041 1283 V CA 1.993 64.118 62.300 -0.292 0.000 1.025 1283 V CB -0.715 30.856 31.823 -0.419 0.000 0.656 1283 V HN 0.452 nan 8.190 nan 0.000 0.451 1284 S N 0.188 115.813 115.700 -0.124 0.000 2.500 1284 S HA -0.150 4.321 4.470 0.001 0.000 0.239 1284 S C 1.807 176.360 174.600 -0.079 0.000 0.989 1284 S CA 1.103 59.254 58.200 -0.083 0.000 0.951 1284 S CB -0.414 62.750 63.200 -0.061 0.000 0.759 1284 S HN 0.593 nan 8.310 nan 0.000 0.523 1285 N N 1.286 119.932 118.700 -0.089 0.000 2.333 1285 N HA 0.072 4.812 4.740 0.001 0.000 0.178 1285 N C 1.530 176.991 175.510 -0.081 0.000 1.018 1285 N CA 0.958 53.960 53.050 -0.079 0.000 0.882 1285 N CB 0.026 38.466 38.487 -0.078 0.000 0.984 1285 N HN 0.300 nan 8.380 nan 0.000 0.434 1286 K N -0.886 119.458 120.400 -0.093 0.000 2.031 1286 K HA 0.070 4.390 4.320 0.001 0.000 0.205 1286 K C 1.033 177.589 176.600 -0.074 0.000 1.049 1286 K CA 1.190 57.427 56.287 -0.084 0.000 0.939 1286 K CB -0.099 32.343 32.500 -0.096 0.000 0.717 1286 K HN 0.039 nan 8.250 nan 0.000 0.438 1287 T N 1.134 115.643 114.554 -0.075 0.000 3.400 1287 T HA -0.038 4.313 4.350 0.001 0.000 0.254 1287 T C 0.879 175.543 174.700 -0.061 0.000 1.153 1287 T CA 0.681 62.744 62.100 -0.062 0.000 1.012 1287 T CB -0.323 68.511 68.868 -0.057 0.000 0.994 1287 T HN 0.241 nan 8.240 nan 0.000 0.555 1288 N N 0.857 119.517 118.700 -0.066 0.000 2.508 1288 N HA 0.052 4.793 4.740 0.001 0.000 0.186 1288 N C 1.685 177.150 175.510 -0.074 0.000 1.034 1288 N CA 0.409 53.418 53.050 -0.069 0.000 0.885 1288 N CB 0.345 38.789 38.487 -0.070 0.000 1.135 1288 N HN 0.285 nan 8.380 nan 0.000 0.435 1289 E N 0.005 120.161 120.200 -0.072 0.000 2.023 1289 E HA -0.177 4.173 4.350 0.001 0.000 0.196 1289 E C 1.860 178.420 176.600 -0.066 0.000 1.003 1289 E CA 1.534 57.892 56.400 -0.071 0.000 0.809 1289 E CB -0.248 29.414 29.700 -0.063 0.000 0.755 1289 E HN 0.079 nan 8.360 nan 0.000 0.449 1290 V N 1.323 121.202 119.914 -0.059 0.000 2.252 1290 V HA -0.319 3.801 4.120 0.001 0.000 0.249 1290 V C 2.393 178.456 176.094 -0.053 0.000 1.056 1290 V CA 1.639 63.908 62.300 -0.052 0.000 1.022 1290 V CB -0.383 31.412 31.823 -0.046 0.000 0.641 1290 V HN 0.382 nan 8.190 nan 0.000 0.445 1291 M N -0.682 118.885 119.600 -0.055 0.000 2.144 1291 M HA -0.229 4.251 4.480 0.001 0.000 0.260 1291 M C 2.154 178.415 176.300 -0.065 0.000 1.067 1291 M CA 1.877 57.145 55.300 -0.054 0.000 1.095 1291 M CB -1.059 31.509 32.600 -0.054 0.000 1.365 1291 M HN 0.336 nan 8.290 nan 0.000 0.406 1292 K N -0.725 119.625 120.400 -0.083 0.000 2.031 1292 K HA -0.080 4.240 4.320 0.001 0.000 0.205 1292 K C 1.949 178.491 176.600 -0.097 0.000 1.049 1292 K CA 0.913 57.130 56.287 -0.116 0.000 0.939 1292 K CB -0.022 32.394 32.500 -0.140 0.000 0.717 1292 K HN 0.068 nan 8.250 nan 0.000 0.438 1293 V N 1.774 121.644 119.914 -0.074 0.000 2.282 1293 V HA -0.276 3.845 4.120 0.001 0.000 0.249 1293 V C 2.277 178.345 176.094 -0.043 0.000 1.057 1293 V CA 1.778 64.045 62.300 -0.054 0.000 1.032 1293 V CB -0.349 31.442 31.823 -0.054 0.000 0.645 1293 V HN 0.372 nan 8.190 nan 0.000 0.447 1294 L N -0.345 120.853 121.223 -0.042 0.000 2.079 1294 L HA -0.173 4.167 4.340 0.001 0.000 0.210 1294 L C 2.489 179.355 176.870 -0.005 0.000 1.081 1294 L CA 2.731 57.553 54.840 -0.030 0.000 0.752 1294 L CB -0.927 41.116 42.059 -0.027 0.000 0.896 1294 L HN 0.358 nan 8.230 nan 0.000 0.433 1295 T N -1.279 113.273 114.554 -0.004 0.000 3.023 1295 T HA 0.019 4.369 4.350 0.001 0.000 0.266 1295 T C 1.817 176.599 174.700 0.138 0.000 1.093 1295 T CA 0.993 63.115 62.100 0.037 0.000 1.129 1295 T CB -0.142 68.724 68.868 -0.003 0.000 0.899 1295 T HN 0.319 nan 8.240 nan 0.000 0.491 1296 I N 0.278 120.930 120.570 0.138 0.000 2.188 1296 I HA 0.093 4.263 4.170 0.001 0.000 0.237 1296 I C 1.095 177.320 176.117 0.179 0.000 1.073 1296 I CA 0.960 62.465 61.300 0.343 0.000 1.359 1296 I CB -0.184 37.979 38.000 0.271 0.000 1.083 1296 I HN 0.093 nan 8.210 nan 0.000 0.412 1297 I N 1.802 122.381 120.570 0.016 0.000 2.848 1297 I HA 0.009 4.179 4.170 0.001 0.000 0.274 1297 I C 0.674 176.754 176.117 -0.063 0.000 1.049 1297 I CA 0.321 61.523 61.300 -0.163 0.000 2.038 1297 I CB -0.380 37.436 38.000 -0.306 0.000 1.403 1297 I HN 0.286 nan 8.210 nan 0.000 0.847 1298 A N 0.295 123.157 122.820 0.070 0.000 2.374 1298 A HA 0.157 4.478 4.320 0.001 0.000 0.212 1298 A C 0.884 178.542 177.584 0.124 0.000 1.747 1298 A CA -0.225 51.870 52.037 0.097 0.000 1.235 1298 A CB -0.036 18.998 19.000 0.057 0.000 0.997 1298 A HN 0.271 nan 8.150 nan 0.000 0.456 1299 T N -0.427 114.220 114.554 0.155 0.000 3.130 1299 T HA 0.359 4.709 4.350 0.001 0.000 0.288 1299 T C 0.972 175.722 174.700 0.083 0.000 0.936 1299 T CA 0.566 62.740 62.100 0.122 0.000 0.897 1299 T CB -0.056 68.923 68.868 0.186 0.000 1.178 1299 T HN 0.309 nan 8.240 nan 0.000 0.543 1300 I N -0.976 119.710 120.570 0.194 0.000 4.433 1300 I HA 0.272 4.442 4.170 0.001 0.000 0.322 1300 I C 0.625 176.914 176.117 0.287 0.000 1.284 1300 I CA 0.347 61.788 61.300 0.235 0.000 1.269 1300 I CB 0.521 38.730 38.000 0.348 0.000 1.219 1300 I HN 0.109 nan 8.210 nan 0.000 0.436 1301 F N -0.037 119.918 119.950 0.008 0.000 2.678 1301 F HA 0.304 4.832 4.527 0.001 0.000 0.305 1301 F C 1.884 177.697 175.800 0.022 0.000 1.090 1301 F CA 0.226 58.233 58.000 0.013 0.000 1.272 1301 F CB 0.130 39.140 39.000 0.017 0.000 1.060 1301 F HN -0.089 nan 8.300 nan 0.000 0.576 1302 M N 0.448 120.161 119.600 0.188 0.000 2.615 1302 M HA 0.108 4.588 4.480 0.001 0.000 0.262 1302 M C -0.810 175.545 176.300 0.091 0.000 1.198 1302 M CA 0.627 55.997 55.300 0.117 0.000 1.165 1302 M CB -0.483 32.169 32.600 0.087 0.000 1.310 1302 M HN -0.219 nan 8.290 nan 0.000 0.494 1303 P HA -0.068 nan 4.420 nan 0.000 0.218 1303 P C 1.336 178.690 177.300 0.090 0.000 1.152 1303 P CA 1.092 64.233 63.100 0.069 0.000 0.826 1303 P CB 0.067 31.781 31.700 0.023 0.000 0.790 1304 L N -0.123 121.106 121.223 0.010 0.000 2.095 1304 L HA 0.011 4.351 4.340 0.001 0.000 0.204 1304 L C 2.288 179.122 176.870 -0.059 0.000 1.080 1304 L CA 1.886 56.684 54.840 -0.070 0.000 0.759 1304 L CB -1.873 40.077 42.059 -0.182 0.000 0.914 1304 L HN -0.076 nan 8.230 nan 0.000 0.439 1305 T N -0.767 113.782 114.554 -0.010 0.000 3.155 1305 T HA -0.139 4.212 4.350 0.001 0.000 0.264 1305 T C 1.433 176.174 174.700 0.068 0.000 1.160 1305 T CA 0.632 62.741 62.100 0.014 0.000 1.075 1305 T CB -0.380 68.518 68.868 0.050 0.000 0.921 1305 T HN 0.184 nan 8.240 nan 0.000 0.533 1306 F N 1.015 120.929 119.950 -0.060 0.000 2.262 1306 F HA 0.282 4.810 4.527 0.001 0.000 0.292 1306 F C 1.703 177.444 175.800 -0.099 0.000 1.081 1306 F CA 0.058 58.023 58.000 -0.059 0.000 1.355 1306 F CB -0.265 38.707 39.000 -0.047 0.000 1.069 1306 F HN 0.052 nan 8.300 nan 0.000 0.506 1307 I N 0.768 121.176 120.570 -0.271 0.000 2.127 1307 I HA -0.278 3.893 4.170 0.001 0.000 0.241 1307 I C 2.359 178.192 176.117 -0.472 0.000 1.075 1307 I CA 1.477 62.501 61.300 -0.459 0.000 1.334 1307 I CB -0.846 36.961 38.000 -0.322 0.000 1.040 1307 I HN 0.191 nan 8.210 nan 0.000 0.405 1308 A N 0.404 123.057 122.820 -0.277 0.000 2.258 1308 A HA 0.106 4.426 4.320 0.001 0.000 0.206 1308 A C 2.002 179.519 177.584 -0.113 0.000 1.222 1308 A CA 1.156 53.090 52.037 -0.170 0.000 0.822 1308 A CB -1.027 17.909 19.000 -0.108 0.000 0.804 1308 A HN 0.531 nan 8.150 nan 0.000 0.483 1309 G N -0.161 108.528 108.800 -0.184 0.000 2.641 1309 G HA2 0.079 4.039 3.960 0.001 0.000 0.207 1309 G HA3 0.079 4.039 3.960 0.001 0.000 0.207 1309 G C 1.336 176.154 174.900 -0.137 0.000 1.137 1309 G CA 0.623 45.646 45.100 -0.129 0.000 0.824 1309 G HN 0.437 nan 8.290 nan 0.000 0.547 1310 I N 0.036 120.450 120.570 -0.260 0.000 2.315 1310 I HA -0.086 4.084 4.170 0.001 0.000 0.248 1310 I C 1.453 177.693 176.117 0.204 0.000 1.117 1310 I CA 0.697 61.943 61.300 -0.090 0.000 1.404 1310 I CB -0.192 37.713 38.000 -0.159 0.000 1.071 1310 I HN 0.030 nan 8.210 nan 0.000 0.419 1311 Y N 1.311 121.550 120.300 -0.102 0.000 2.473 1311 Y HA 0.188 4.738 4.550 0.001 0.000 0.329 1311 Y C 1.833 177.722 175.900 -0.019 0.000 1.207 1311 Y CA -0.506 57.569 58.100 -0.041 0.000 1.266 1311 Y CB -0.999 37.436 38.460 -0.042 0.000 1.091 1311 Y HN 0.051 nan 8.280 nan 0.000 0.501 1312 G N -0.724 108.145 108.800 0.115 0.000 3.575 1312 G HA2 0.136 4.096 3.960 0.001 0.000 0.273 1312 G HA3 0.136 4.096 3.960 0.001 0.000 0.273 1312 G C 0.393 175.315 174.900 0.037 0.000 1.053 1312 G CA -0.258 44.877 45.100 0.058 0.000 0.803 1312 G HN -0.071 nan 8.290 nan 0.000 0.528 1313 M N 1.335 120.972 119.600 0.062 0.000 2.217 1313 M HA 0.169 4.650 4.480 0.001 0.000 0.352 1313 M C -0.272 176.097 176.300 0.116 0.000 1.376 1313 M CA -0.158 55.174 55.300 0.054 0.000 1.107 1313 M CB 0.117 32.821 32.600 0.173 0.000 1.723 1313 M HN 0.089 nan 8.290 nan 0.000 0.461 1314 N N 4.597 123.340 118.700 0.070 0.000 3.228 1314 N HA 0.419 5.160 4.740 0.001 0.000 0.289 1314 N C -1.025 174.623 175.510 0.231 0.000 1.419 1314 N CA -0.316 52.800 53.050 0.110 0.000 1.088 1314 N CB 0.372 38.885 38.487 0.044 0.000 1.357 1314 N HN 0.480 nan 8.380 nan 0.000 0.504 1327 Y N 3.986 124.296 120.300 0.017 0.000 2.184 1327 Y HA 0.131 4.682 4.550 0.001 0.000 0.290 1327 Y C -0.712 175.201 175.900 0.022 0.000 1.129 1327 Y CA 1.564 59.679 58.100 0.025 0.000 1.144 1327 Y CB 0.107 38.575 38.460 0.014 0.000 0.995 1327 Y HN 0.434 nan 8.280 nan 0.000 0.513 1328 P HA 0.028 nan 4.420 nan 0.000 0.259 1328 P C 0.592 177.868 177.300 -0.040 0.000 1.480 1328 P CA 0.662 63.734 63.100 -0.046 0.000 0.842 1328 P CB 0.165 31.886 31.700 0.035 0.000 1.513 1329 V N -1.601 118.296 119.914 -0.027 0.000 3.085 1329 V HA -0.026 4.094 4.120 0.001 0.000 0.245 1329 V C 2.119 178.189 176.094 -0.039 0.000 1.114 1329 V CA 0.758 63.050 62.300 -0.014 0.000 1.108 1329 V CB -0.245 31.591 31.823 0.021 0.000 0.798 1329 V HN 0.023 nan 8.190 nan 0.000 0.471 1330 V N -0.390 119.487 119.914 -0.062 0.000 2.446 1330 V HA -0.059 4.061 4.120 0.001 0.000 0.244 1330 V C 2.223 178.211 176.094 -0.177 0.000 1.039 1330 V CA 1.618 63.854 62.300 -0.106 0.000 1.045 1330 V CB 0.296 32.081 31.823 -0.063 0.000 0.681 1330 V HN 0.434 nan 8.190 nan 0.000 0.459 1331 L N 0.163 121.243 121.223 -0.238 0.000 2.217 1331 L HA 0.035 4.376 4.340 0.001 0.000 0.211 1331 L C 2.496 179.279 176.870 -0.146 0.000 1.107 1331 L CA 1.918 56.620 54.840 -0.230 0.000 0.783 1331 L CB -0.747 41.129 42.059 -0.305 0.000 0.919 1331 L HN 0.341 nan 8.230 nan 0.000 0.442 1332 A N -1.588 121.165 122.820 -0.112 0.000 1.897 1332 A HA -0.121 4.200 4.320 0.001 0.000 0.215 1332 A C 2.364 179.905 177.584 -0.072 0.000 1.181 1332 A CA 1.593 53.585 52.037 -0.075 0.000 0.620 1332 A CB -0.803 18.166 19.000 -0.051 0.000 0.821 1332 A HN 0.179 nan 8.150 nan 0.000 0.443 1333 V N -0.383 119.484 119.914 -0.079 0.000 2.871 1333 V HA -0.121 4.000 4.120 0.001 0.000 0.256 1333 V C 2.264 178.302 176.094 -0.093 0.000 1.082 1333 V CA 1.659 63.914 62.300 -0.075 0.000 1.105 1333 V CB -0.397 31.386 31.823 -0.066 0.000 0.713 1333 V HN 0.582 nan 8.190 nan 0.000 0.473 1334 M N -0.500 119.029 119.600 -0.118 0.000 2.248 1334 M HA 0.063 4.543 4.480 0.001 0.000 0.265 1334 M C 2.140 178.370 176.300 -0.116 0.000 1.079 1334 M CA 1.694 56.916 55.300 -0.131 0.000 1.150 1334 M CB -0.682 31.817 32.600 -0.168 0.000 1.366 1334 M HN 0.437 nan 8.290 nan 0.000 0.433 1335 G N -0.725 108.012 108.800 -0.106 0.000 2.509 1335 G HA2 -0.103 3.857 3.960 0.001 0.000 0.218 1335 G HA3 -0.103 3.857 3.960 0.001 0.000 0.218 1335 G C 1.444 176.307 174.900 -0.062 0.000 1.124 1335 G CA 0.403 45.453 45.100 -0.083 0.000 0.776 1335 G HN 0.319 nan 8.290 nan 0.000 0.547 1336 V N 0.369 120.246 119.914 -0.061 0.000 2.535 1336 V HA 0.120 4.240 4.120 0.001 0.000 0.246 1336 V C 2.612 178.676 176.094 -0.051 0.000 1.045 1336 V CA 0.819 63.090 62.300 -0.047 0.000 1.058 1336 V CB -0.111 31.687 31.823 -0.042 0.000 0.689 1336 V HN 0.402 nan 8.190 nan 0.000 0.461 1337 I N 0.672 121.205 120.570 -0.062 0.000 2.315 1337 I HA -0.108 4.062 4.170 0.001 0.000 0.248 1337 I C 2.248 178.323 176.117 -0.070 0.000 1.117 1337 I CA 1.302 62.563 61.300 -0.066 0.000 1.404 1337 I CB -0.388 37.572 38.000 -0.068 0.000 1.071 1337 I HN 0.325 nan 8.210 nan 0.000 0.419 1338 A N -0.255 122.524 122.820 -0.069 0.000 2.250 1338 A HA 0.104 4.424 4.320 0.001 0.000 0.208 1338 A C 1.713 179.276 177.584 -0.036 0.000 1.254 1338 A CA 0.792 52.797 52.037 -0.053 0.000 0.858 1338 A CB -0.358 18.603 19.000 -0.064 0.000 0.820 1338 A HN 0.300 nan 8.150 nan 0.000 0.484 1339 V N -1.645 118.244 119.914 -0.042 0.000 3.193 1339 V HA 0.055 4.176 4.120 0.001 0.000 0.237 1339 V C 1.770 177.848 176.094 -0.027 0.000 1.447 1339 V CA 0.444 62.729 62.300 -0.025 0.000 1.227 1339 V CB -0.146 31.666 31.823 -0.017 0.000 1.040 1339 V HN 0.528 nan 8.190 nan 0.000 0.458 1340 I N 0.125 120.671 120.570 -0.039 0.000 2.850 1340 I HA -0.220 3.950 4.170 0.001 0.000 0.266 1340 I C 2.164 178.249 176.117 -0.054 0.000 1.257 1340 I CA 1.305 62.582 61.300 -0.039 0.000 1.465 1340 I CB -0.167 37.799 38.000 -0.056 0.000 1.091 1340 I HN 0.336 nan 8.210 nan 0.000 0.467 1341 M N -0.461 119.079 119.600 -0.100 0.000 2.384 1341 M HA 0.019 4.499 4.480 0.001 0.000 0.258 1341 M C 2.091 178.235 176.300 -0.260 0.000 1.130 1341 M CA 1.169 56.330 55.300 -0.233 0.000 1.187 1341 M CB -0.595 31.843 32.600 -0.271 0.000 1.307 1341 M HN -0.029 nan 8.290 nan 0.000 0.468 1342 V N -0.069 119.775 119.914 -0.116 0.000 3.078 1342 V HA -0.115 4.005 4.120 0.001 0.000 0.265 1342 V C 1.855 177.978 176.094 0.047 0.000 1.122 1342 V CA 0.948 63.241 62.300 -0.011 0.000 1.141 1342 V CB -0.153 31.685 31.823 0.026 0.000 0.735 1342 V HN 0.249 nan 8.190 nan 0.000 0.498 1343 V N -0.954 118.985 119.914 0.041 0.000 2.426 1343 V HA -0.124 3.997 4.120 0.001 0.000 0.242 1343 V C 2.080 178.257 176.094 0.139 0.000 1.036 1343 V CA 1.850 64.195 62.300 0.075 0.000 1.044 1343 V CB -0.644 31.213 31.823 0.057 0.000 0.688 1343 V HN 0.703 nan 8.190 nan 0.000 0.462 1344 Y N 0.313 120.621 120.300 0.013 0.000 2.315 1344 Y HA -0.144 4.407 4.550 0.001 0.000 0.288 1344 Y C 1.451 177.537 175.900 0.310 0.000 1.154 1344 Y CA 1.011 59.163 58.100 0.087 0.000 1.229 1344 Y CB -0.211 38.254 38.460 0.008 0.000 0.980 1344 Y HN 0.262 nan 8.280 nan 0.000 0.540 1345 F N 0.990 120.882 119.950 -0.097 0.000 2.913 1345 F HA 0.254 4.781 4.527 0.001 0.000 0.306 1345 F C 1.257 176.995 175.800 -0.104 0.000 1.205 1345 F CA -0.250 57.650 58.000 -0.168 0.000 1.359 1345 F CB -0.395 38.559 39.000 -0.077 0.000 1.260 1345 F HN -0.020 nan 8.300 nan 0.000 0.545 1346 K N -0.249 120.192 120.400 0.069 0.000 2.402 1346 K HA 0.180 4.501 4.320 0.001 0.000 0.204 1346 K C 1.550 178.138 176.600 -0.020 0.000 1.056 1346 K CA 0.302 56.604 56.287 0.025 0.000 1.069 1346 K CB 0.357 32.882 32.500 0.040 0.000 0.888 1346 K HN 0.034 nan 8.250 nan 0.000 0.546 1347 K N -0.373 119.988 120.400 -0.066 0.000 2.314 1347 K HA 0.058 4.378 4.320 0.001 0.000 0.198 1347 K C 1.206 177.729 176.600 -0.129 0.000 1.045 1347 K CA 0.685 56.917 56.287 -0.091 0.000 0.988 1347 K CB 0.347 32.776 32.500 -0.120 0.000 0.783 1347 K HN -0.106 nan 8.250 nan 0.000 0.484 1348 K N 0.602 120.897 120.400 -0.175 0.000 2.387 1348 K HA 0.109 4.430 4.320 0.001 0.000 0.203 1348 K C -0.293 176.207 176.600 -0.167 0.000 1.030 1348 K CA 0.109 56.259 56.287 -0.228 0.000 1.099 1348 K CB 0.555 32.794 32.500 -0.434 0.000 0.863 1348 K HN -0.140 nan 8.250 nan 0.000 0.529 1349 K N 0.000 120.341 120.400 -0.099 0.000 2.780 1349 K HA 0.000 4.320 4.320 0.001 0.000 0.191 1349 K CA 0.000 56.249 56.287 -0.064 0.000 0.838 1349 K CB 0.000 32.476 32.500 -0.040 0.000 1.064 1349 K HN 0.000 nan 8.250 nan 0.000 0.543