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 2dc1_1_B DATA FIRST_RESID 1001 DATA SEQUENCE MLVGLIGYGA IGKFLAEWLE RNGFEIAAIL DVRGEHEKMV RGIDEFLQRE DATA SEQUENCE MDVAVEAASQ QAVKDYAEKI LKAGIDLIVL STGAFADRDF LSRVREVCRK DATA SEQUENCE TGRRVYIASG AIGGLDAIFS ASELIEEIVL TTRKNWRQFG RKGVIFEGSA DATA SEQUENCE SEAAQKFPKN LNVAATLSIA SGKDVKVRLV ADEVEENIHE ILVRGEFGEM DATA SEQUENCE EIRVRNRPMR ENPKTSYLAA LSVTRILRNL KEGLVV 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 1001 M HA 0.000 nan 4.480 nan 0.000 0.227 1001 M C 0.000 176.344 176.300 0.073 0.000 1.140 1001 M CA 0.000 55.280 55.300 -0.034 0.000 0.988 1001 M CB 0.000 32.572 32.600 -0.047 0.000 1.302 1002 L N 4.789 126.054 121.223 0.070 0.000 2.289 1002 L HA 0.767 5.111 4.340 0.007 0.000 0.285 1002 L C -0.955 175.971 176.870 0.094 0.000 1.049 1002 L CA -0.844 54.037 54.840 0.068 0.000 0.804 1002 L CB 1.731 43.797 42.059 0.011 0.000 1.195 1002 L HN 0.441 nan 8.230 nan 0.000 0.428 1003 V N 2.036 122.012 119.914 0.105 0.000 2.588 1003 V HA 0.587 4.711 4.120 0.007 0.000 0.304 1003 V C 0.357 176.488 176.094 0.062 0.000 1.042 1003 V CA -0.630 61.732 62.300 0.103 0.000 0.877 1003 V CB 1.850 33.757 31.823 0.139 0.000 0.996 1003 V HN 0.839 nan 8.190 nan 0.000 0.425 1004 G N 4.269 113.117 108.800 0.080 0.000 2.343 1004 G HA2 0.680 4.644 3.960 0.007 0.000 0.319 1004 G HA3 0.680 4.644 3.960 0.007 0.000 0.319 1004 G C -0.966 174.155 174.900 0.368 0.000 1.126 1004 G CA -0.504 44.687 45.100 0.152 0.000 0.889 1004 G HN 0.584 nan 8.290 nan 0.000 0.457 1005 L N 2.620 124.044 121.223 0.335 0.000 2.313 1005 L HA 0.492 4.836 4.340 0.007 0.000 0.283 1005 L C -0.232 176.687 176.870 0.083 0.000 1.013 1005 L CA -0.671 54.278 54.840 0.182 0.000 0.816 1005 L CB 1.975 44.096 42.059 0.102 0.000 1.236 1005 L HN 0.321 nan 8.230 nan 0.000 0.419 1006 I N 3.105 123.658 120.570 -0.030 0.000 2.354 1006 I HA 0.592 4.766 4.170 0.007 0.000 0.286 1006 I C 0.345 176.454 176.117 -0.013 0.000 1.007 1006 I CA -0.413 60.795 61.300 -0.154 0.000 1.167 1006 I CB 1.485 39.346 38.000 -0.232 0.000 1.320 1006 I HN 0.793 nan 8.210 nan 0.000 0.458 1007 G N 5.008 113.822 108.800 0.022 0.000 3.444 1007 G HA2 -0.230 3.734 3.960 0.007 0.000 0.685 1007 G HA3 -0.230 3.734 3.960 0.007 0.000 0.685 1007 G C -1.185 173.811 174.900 0.159 0.000 1.145 1007 G CA -0.764 44.379 45.100 0.072 0.000 0.973 1007 G HN 0.692 nan 8.290 nan 0.000 0.525 1008 Y N 3.008 123.306 120.300 -0.003 0.000 2.557 1008 Y HA 0.516 5.070 4.550 0.007 0.000 0.352 1008 Y C 1.142 177.053 175.900 0.017 0.000 0.918 1008 Y CA 0.018 58.122 58.100 0.006 0.000 1.232 1008 Y CB -0.027 38.436 38.460 0.004 0.000 1.235 1008 Y HN 0.873 nan 8.280 nan 0.000 0.596 1009 G N 0.030 108.791 108.800 -0.065 0.000 2.945 1009 G HA2 0.373 4.337 3.960 0.007 0.000 0.156 1009 G HA3 0.373 4.337 3.960 0.007 0.000 0.156 1009 G C 1.032 175.847 174.900 -0.141 0.000 1.375 1009 G CA 0.026 45.055 45.100 -0.117 0.000 1.039 1009 G HN 0.416 nan 8.290 nan 0.000 0.586 1010 A N -0.453 122.312 122.820 -0.091 0.000 1.859 1010 A HA -0.048 4.276 4.320 0.007 0.000 0.217 1010 A C 2.408 179.981 177.584 -0.020 0.000 1.198 1010 A CA 1.856 53.849 52.037 -0.074 0.000 0.629 1010 A CB -0.692 18.263 19.000 -0.076 0.000 0.830 1010 A HN 0.462 nan 8.150 nan 0.000 0.446 1011 I N -0.625 119.944 120.570 -0.002 0.000 2.202 1011 I HA -0.167 4.007 4.170 0.007 0.000 0.242 1011 I C 2.750 178.948 176.117 0.136 0.000 1.091 1011 I CA 1.130 62.466 61.300 0.061 0.000 1.368 1011 I CB -0.803 37.212 38.000 0.024 0.000 1.058 1011 I HN 0.419 nan 8.210 nan 0.000 0.410 1012 G N 0.966 109.819 108.800 0.087 0.000 2.442 1012 G HA2 -0.231 3.733 3.960 0.007 0.000 0.219 1012 G HA3 -0.231 3.733 3.960 0.007 0.000 0.219 1012 G C 1.746 176.751 174.900 0.175 0.000 1.141 1012 G CA 0.587 45.778 45.100 0.152 0.000 0.763 1012 G HN 0.325 nan 8.290 nan 0.000 0.554 1013 K N -0.621 119.754 120.400 -0.042 0.000 2.057 1013 K HA -0.010 4.314 4.320 0.007 0.000 0.206 1013 K C 2.141 178.804 176.600 0.105 0.000 1.050 1013 K CA 1.031 57.247 56.287 -0.117 0.000 0.935 1013 K CB -0.288 32.009 32.500 -0.339 0.000 0.715 1013 K HN 0.358 nan 8.250 nan 0.000 0.439 1014 F N 1.946 121.902 119.950 0.010 0.000 2.102 1014 F HA -0.165 4.365 4.527 0.005 0.000 0.298 1014 F C 1.768 177.653 175.800 0.142 0.000 1.105 1014 F CA 1.318 59.359 58.000 0.068 0.000 1.239 1014 F CB -0.217 38.813 39.000 0.050 0.000 0.991 1014 F HN -0.124 nan 8.300 nan 0.000 0.474 1015 L N 0.079 121.406 121.223 0.173 0.000 2.083 1015 L HA -0.191 4.153 4.340 0.007 0.000 0.209 1015 L C 2.850 179.767 176.870 0.079 0.000 1.083 1015 L CA 1.088 55.979 54.840 0.085 0.000 0.752 1015 L CB -1.272 40.869 42.059 0.136 0.000 0.899 1015 L HN 0.295 nan 8.230 nan 0.000 0.433 1016 A N -0.164 122.728 122.820 0.121 0.000 1.883 1016 A HA -0.288 4.036 4.320 0.007 0.000 0.217 1016 A C 2.281 179.920 177.584 0.092 0.000 1.186 1016 A CA 2.118 54.229 52.037 0.124 0.000 0.624 1016 A CB -0.542 18.591 19.000 0.222 0.000 0.822 1016 A HN 0.476 nan 8.150 nan 0.000 0.444 1017 E N -1.797 118.433 120.200 0.049 0.000 2.072 1017 E HA -0.219 4.135 4.350 0.007 0.000 0.191 1017 E C 1.826 178.381 176.600 -0.074 0.000 0.985 1017 E CA 1.104 57.499 56.400 -0.007 0.000 0.801 1017 E CB -0.263 29.419 29.700 -0.031 0.000 0.750 1017 E HN 0.777 nan 8.360 nan 0.000 0.452 1018 W N 1.389 122.465 121.300 -0.374 0.000 2.335 1018 W HA -0.217 4.446 4.660 0.006 0.000 0.311 1018 W C 1.820 178.225 176.519 -0.189 0.000 1.213 1018 W CA 1.607 58.727 57.345 -0.375 0.000 1.274 1018 W CB -0.346 28.755 29.460 -0.598 0.000 1.148 1018 W HN 0.054 nan 8.180 nan 0.000 0.498 1019 L N 0.389 121.659 121.223 0.078 0.000 1.990 1019 L HA -0.287 4.058 4.340 0.007 0.000 0.213 1019 L C 2.405 179.249 176.870 -0.044 0.000 1.072 1019 L CA 2.097 56.929 54.840 -0.013 0.000 0.755 1019 L CB -1.018 41.098 42.059 0.095 0.000 0.889 1019 L HN 0.052 nan 8.230 nan 0.000 0.432 1020 E N -0.434 119.749 120.200 -0.028 0.000 2.268 1020 E HA -0.150 4.204 4.350 0.007 0.000 0.195 1020 E C 2.041 178.588 176.600 -0.088 0.000 0.995 1020 E CA 0.530 56.916 56.400 -0.024 0.000 0.836 1020 E CB 0.044 29.750 29.700 0.009 0.000 0.763 1020 E HN 0.447 nan 8.360 nan 0.000 0.491 1021 R N 0.345 120.736 120.500 -0.181 0.000 2.317 1021 R HA 0.132 4.476 4.340 0.007 0.000 0.208 1021 R C 0.777 176.911 176.300 -0.275 0.000 0.914 1021 R CA 0.137 56.117 56.100 -0.199 0.000 1.060 1021 R CB 0.322 30.502 30.300 -0.200 0.000 1.015 1021 R HN 0.045 nan 8.270 nan 0.000 0.498 1022 N N -0.059 118.427 118.700 -0.358 0.000 2.351 1022 N HA 0.081 4.825 4.740 0.007 0.000 0.254 1022 N C 0.358 175.815 175.510 -0.089 0.000 1.241 1022 N CA 0.493 53.338 53.050 -0.342 0.000 0.883 1022 N CB 1.830 39.774 38.487 -0.904 0.000 1.202 1022 N HN 0.296 nan 8.380 nan 0.000 0.512 1023 G N 0.663 109.412 108.800 -0.084 0.000 2.179 1023 G HA2 -0.286 3.678 3.960 0.007 0.000 0.260 1023 G HA3 -0.286 3.678 3.960 0.007 0.000 0.260 1023 G C -0.046 174.760 174.900 -0.156 0.000 0.977 1023 G CA 0.080 45.101 45.100 -0.131 0.000 0.641 1023 G HN 0.255 nan 8.290 nan 0.000 0.533 1024 F N 0.717 120.597 119.950 -0.116 0.000 2.380 1024 F HA 0.689 5.220 4.527 0.007 0.000 0.321 1024 F C 0.887 176.669 175.800 -0.030 0.000 1.103 1024 F CA -0.795 57.179 58.000 -0.043 0.000 1.067 1024 F CB 0.916 39.923 39.000 0.012 0.000 1.265 1024 F HN -0.006 nan 8.300 nan 0.000 0.517 1025 E N 1.095 121.405 120.200 0.183 0.000 2.199 1025 E HA 0.427 4.782 4.350 0.007 0.000 0.269 1025 E C -1.033 175.625 176.600 0.097 0.000 0.899 1025 E CA -0.696 55.763 56.400 0.098 0.000 0.772 1025 E CB 2.178 31.903 29.700 0.042 0.000 1.155 1025 E HN 0.401 nan 8.360 nan 0.000 0.408 1026 I N 2.883 123.494 120.570 0.068 0.000 2.379 1026 I HA 0.066 4.240 4.170 0.007 0.000 0.290 1026 I C 1.110 177.230 176.117 0.005 0.000 1.063 1026 I CA 0.108 61.432 61.300 0.039 0.000 1.351 1026 I CB 1.193 39.206 38.000 0.023 0.000 1.410 1026 I HN 0.674 nan 8.210 nan 0.000 0.505 1027 A N 5.674 128.479 122.820 -0.025 0.000 1.898 1027 A HA 0.521 4.846 4.320 0.007 0.000 0.214 1027 A C 0.992 178.508 177.584 -0.113 0.000 1.183 1027 A CA 1.212 53.199 52.037 -0.082 0.000 0.622 1027 A CB 0.064 18.979 19.000 -0.141 0.000 0.824 1027 A HN 0.834 nan 8.150 nan 0.000 0.444 1028 A N -1.860 120.898 122.820 -0.102 0.000 2.549 1028 A HA 0.591 4.915 4.320 0.007 0.000 0.291 1028 A C -1.569 176.052 177.584 0.062 0.000 1.034 1028 A CA -0.496 51.507 52.037 -0.058 0.000 0.655 1028 A CB 0.174 19.090 19.000 -0.141 0.000 1.299 1028 A HN 0.336 nan 8.150 nan 0.000 0.427 1029 I N 0.958 121.554 120.570 0.042 0.000 2.478 1029 I HA 0.453 4.627 4.170 0.007 0.000 0.287 1029 I C -1.176 174.957 176.117 0.028 0.000 1.042 1029 I CA -0.662 60.631 61.300 -0.012 0.000 1.067 1029 I CB 1.838 39.630 38.000 -0.347 0.000 1.233 1029 I HN 0.581 nan 8.210 nan 0.000 0.431 1030 L N 6.851 128.066 121.223 -0.013 0.000 2.287 1030 L HA 0.689 5.033 4.340 0.007 0.000 0.287 1030 L C -1.116 175.709 176.870 -0.075 0.000 1.022 1030 L CA 0.507 55.277 54.840 -0.116 0.000 0.814 1030 L CB 1.078 42.862 42.059 -0.459 0.000 1.217 1030 L HN 0.534 nan 8.230 nan 0.000 0.420 1031 D N 2.408 122.797 120.400 -0.018 0.000 2.769 1031 D HA 0.144 4.788 4.640 0.007 0.000 0.219 1031 D C 0.489 176.812 176.300 0.038 0.000 1.245 1031 D CA -0.135 53.886 54.000 0.035 0.000 0.801 1031 D CB 2.274 43.130 40.800 0.093 0.000 1.598 1031 D HN 0.371 nan 8.370 nan 0.000 0.485 1032 V N 1.239 121.179 119.914 0.045 0.000 3.141 1032 V HA 0.171 4.295 4.120 0.007 0.000 0.265 1032 V C 0.828 176.945 176.094 0.039 0.000 1.126 1032 V CA 0.900 63.223 62.300 0.038 0.000 1.141 1032 V CB -0.766 31.077 31.823 0.033 0.000 0.743 1032 V HN 0.553 nan 8.190 nan 0.000 0.492 1033 R N -0.773 119.759 120.500 0.053 0.000 2.799 1033 R HA 0.760 5.104 4.340 0.007 0.000 0.270 1033 R C -0.017 176.343 176.300 0.101 0.000 1.010 1033 R CA -0.206 55.930 56.100 0.060 0.000 0.916 1033 R CB 1.504 31.831 30.300 0.044 0.000 1.228 1033 R HN 0.970 nan 8.270 nan 0.000 0.469 1034 G N 0.804 109.669 108.800 0.108 0.000 2.662 1034 G HA2 -0.010 3.954 3.960 0.007 0.000 0.686 1034 G HA3 -0.010 3.954 3.960 0.007 0.000 0.686 1034 G C -1.469 173.527 174.900 0.160 0.000 1.271 1034 G CA -0.744 44.463 45.100 0.179 0.000 0.816 1034 G HN 0.607 nan 8.290 nan 0.000 0.608 1035 E N 0.647 120.966 120.200 0.198 0.000 2.266 1035 E HA 0.736 5.090 4.350 0.007 0.000 0.268 1035 E C -0.419 176.274 176.600 0.155 0.000 0.879 1035 E CA -0.716 55.761 56.400 0.129 0.000 0.762 1035 E CB 2.350 32.104 29.700 0.090 0.000 1.199 1035 E HN 0.787 nan 8.360 nan 0.000 0.422 1036 H N 0.965 119.993 119.070 -0.069 0.000 3.060 1036 H HA 0.080 4.640 4.556 0.007 0.000 0.330 1036 H C -0.056 175.217 175.328 -0.091 0.000 1.305 1036 H CA -0.171 55.801 56.048 -0.126 0.000 1.209 1036 H CB 1.311 30.834 29.762 -0.399 0.000 1.913 1036 H HN 0.301 nan 8.280 nan 0.000 0.534 1037 E N 2.040 122.099 120.200 -0.236 0.000 2.171 1037 E HA -0.139 4.216 4.350 0.007 0.000 0.197 1037 E C 0.642 177.306 176.600 0.108 0.000 0.997 1037 E CA 1.535 57.897 56.400 -0.063 0.000 0.810 1037 E CB 0.190 29.794 29.700 -0.159 0.000 0.738 1037 E HN 0.379 nan 8.360 nan 0.000 0.467 1038 K N -0.471 120.132 120.400 0.339 0.000 2.455 1038 K HA 0.214 4.539 4.320 0.007 0.000 0.206 1038 K C -0.114 176.505 176.600 0.031 0.000 1.027 1038 K CA -0.450 55.913 56.287 0.127 0.000 1.113 1038 K CB 0.375 32.923 32.500 0.081 0.000 0.850 1038 K HN 0.060 nan 8.250 nan 0.000 0.503 1039 M N 2.118 121.740 119.600 0.035 0.000 2.228 1039 M HA 0.077 4.561 4.480 0.007 0.000 0.351 1039 M C -0.471 175.834 176.300 0.007 0.000 1.233 1039 M CA -0.255 55.028 55.300 -0.027 0.000 1.129 1039 M CB 0.684 33.270 32.600 -0.023 0.000 1.604 1039 M HN -0.028 nan 8.290 nan 0.000 0.457 1040 V N 3.643 123.566 119.914 0.015 0.000 3.007 1040 V HA 0.700 4.824 4.120 0.007 0.000 0.311 1040 V C 0.239 176.342 176.094 0.016 0.000 1.120 1040 V CA -0.908 61.409 62.300 0.029 0.000 0.980 1040 V CB 2.096 33.955 31.823 0.061 0.000 1.033 1040 V HN 0.862 nan 8.190 nan 0.000 0.429 1041 R N 1.554 122.062 120.500 0.014 0.000 2.237 1041 R HA 0.393 4.737 4.340 0.007 0.000 0.195 1041 R C 0.763 177.062 176.300 -0.000 0.000 0.956 1041 R CA 0.930 57.035 56.100 0.010 0.000 1.029 1041 R CB 0.653 30.964 30.300 0.017 0.000 0.972 1041 R HN 0.975 nan 8.270 nan 0.000 0.493 1042 G N 0.001 108.797 108.800 -0.005 0.000 2.498 1042 G HA2 0.362 4.326 3.960 0.007 0.000 0.312 1042 G HA3 0.362 4.326 3.960 0.007 0.000 0.312 1042 G C 0.307 175.165 174.900 -0.070 0.000 1.230 1042 G CA -0.619 44.468 45.100 -0.022 0.000 0.968 1042 G HN -0.011 nan 8.290 nan 0.000 0.481 1043 I N 0.115 120.591 120.570 -0.156 0.000 2.361 1043 I HA -0.083 4.091 4.170 0.007 0.000 0.251 1043 I C 1.804 177.917 176.117 -0.006 0.000 1.133 1043 I CA 1.426 62.581 61.300 -0.241 0.000 1.413 1043 I CB 0.012 37.794 38.000 -0.365 0.000 1.073 1043 I HN 0.469 nan 8.210 nan 0.000 0.424 1044 D N 0.437 120.846 120.400 0.015 0.000 2.144 1044 D HA -0.175 4.469 4.640 0.007 0.000 0.200 1044 D C 2.010 178.335 176.300 0.043 0.000 0.978 1044 D CA 1.310 55.332 54.000 0.037 0.000 0.833 1044 D CB -0.133 40.684 40.800 0.029 0.000 0.961 1044 D HN 0.538 nan 8.370 nan 0.000 0.470 1045 E N 0.076 120.303 120.200 0.044 0.000 2.072 1045 E HA -0.149 4.205 4.350 0.007 0.000 0.191 1045 E C 1.939 178.574 176.600 0.058 0.000 0.985 1045 E CA 0.399 56.822 56.400 0.039 0.000 0.801 1045 E CB -0.217 29.506 29.700 0.037 0.000 0.750 1045 E HN 0.194 nan 8.360 nan 0.000 0.452 1046 F N 1.666 121.568 119.950 -0.081 0.000 2.043 1046 F HA -0.200 4.331 4.527 0.007 0.000 0.297 1046 F C 1.893 177.655 175.800 -0.064 0.000 1.121 1046 F CA 1.477 59.422 58.000 -0.090 0.000 1.199 1046 F CB -0.176 38.734 39.000 -0.151 0.000 0.968 1046 F HN -0.098 nan 8.300 nan 0.000 0.478 1047 L N 0.096 121.364 121.223 0.076 0.000 2.633 1047 L HA -0.159 4.185 4.340 0.007 0.000 0.235 1047 L C 1.923 178.755 176.870 -0.064 0.000 1.163 1047 L CA 0.680 55.508 54.840 -0.020 0.000 0.859 1047 L CB -0.708 41.397 42.059 0.077 0.000 0.973 1047 L HN 0.367 nan 8.230 nan 0.000 0.451 1048 Q N -0.429 119.333 119.800 -0.063 0.000 2.424 1048 Q HA 0.058 4.402 4.340 0.007 0.000 0.204 1048 Q C 0.282 176.230 176.000 -0.086 0.000 0.933 1048 Q CA 0.204 55.975 55.803 -0.053 0.000 0.929 1048 Q CB 0.397 29.116 28.738 -0.031 0.000 1.037 1048 Q HN 0.321 nan 8.270 nan 0.000 0.511 1049 R N 1.787 122.196 120.500 -0.151 0.000 2.297 1049 R HA 0.171 4.515 4.340 0.007 0.000 0.308 1049 R C -0.254 175.940 176.300 -0.177 0.000 1.029 1049 R CA -0.365 55.635 56.100 -0.167 0.000 0.929 1049 R CB 0.729 30.892 30.300 -0.227 0.000 1.046 1049 R HN 0.052 nan 8.270 nan 0.000 0.461 1050 E N 4.018 124.150 120.200 -0.114 0.000 2.415 1050 E HA 0.076 4.430 4.350 0.007 0.000 0.263 1050 E C -0.371 176.169 176.600 -0.100 0.000 0.995 1050 E CA 0.266 56.613 56.400 -0.088 0.000 0.915 1050 E CB 0.404 30.072 29.700 -0.054 0.000 0.951 1050 E HN 0.503 nan 8.360 nan 0.000 0.449 1051 M N 2.452 122.000 119.600 -0.085 0.000 2.520 1051 M HA 0.458 4.942 4.480 0.007 0.000 0.280 1051 M C -0.956 175.340 176.300 -0.007 0.000 1.232 1051 M CA -0.832 54.431 55.300 -0.061 0.000 0.892 1051 M CB 2.018 34.542 32.600 -0.125 0.000 1.728 1051 M HN 0.153 nan 8.290 nan 0.000 0.475 1052 D N 0.657 121.074 120.400 0.028 0.000 2.305 1052 D HA 0.230 4.874 4.640 0.007 0.000 0.206 1052 D C 0.040 176.390 176.300 0.083 0.000 0.974 1052 D CA 0.953 54.986 54.000 0.054 0.000 0.871 1052 D CB 1.460 42.298 40.800 0.064 0.000 0.947 1052 D HN 0.355 nan 8.370 nan 0.000 0.516 1053 V N -0.360 119.609 119.914 0.092 0.000 3.177 1053 V HA 0.577 4.701 4.120 0.007 0.000 0.287 1053 V C -1.930 174.248 176.094 0.141 0.000 1.465 1053 V CA -0.807 61.568 62.300 0.125 0.000 1.020 1053 V CB 2.109 34.004 31.823 0.120 0.000 1.152 1053 V HN 0.022 nan 8.190 nan 0.000 0.448 1054 A N 4.371 127.302 122.820 0.185 0.000 2.342 1054 A HA 0.879 5.203 4.320 0.007 0.000 0.323 1054 A C -1.119 176.580 177.584 0.192 0.000 1.125 1054 A CA -0.549 51.639 52.037 0.252 0.000 0.785 1054 A CB 1.831 21.045 19.000 0.357 0.000 1.221 1054 A HN 1.193 nan 8.150 nan 0.000 0.463 1055 V N 2.847 122.863 119.914 0.169 0.000 2.370 1055 V HA 0.332 4.457 4.120 0.007 0.000 0.283 1055 V C 0.080 176.224 176.094 0.083 0.000 1.023 1055 V CA -0.548 61.817 62.300 0.108 0.000 0.857 1055 V CB 1.474 33.341 31.823 0.074 0.000 0.985 1055 V HN 0.908 nan 8.190 nan 0.000 0.443 1056 E N 4.498 124.742 120.200 0.074 0.000 2.081 1056 E HA 0.587 4.941 4.350 0.007 0.000 0.281 1056 E C -0.422 176.198 176.600 0.033 0.000 0.986 1056 E CA -0.438 55.992 56.400 0.050 0.000 0.796 1056 E CB 1.606 31.341 29.700 0.059 0.000 1.085 1056 E HN 0.751 nan 8.360 nan 0.000 0.398 1057 A N 3.814 126.651 122.820 0.027 0.000 3.365 1057 A HA 0.602 4.926 4.320 0.007 0.000 0.258 1057 A C 0.044 177.635 177.584 0.013 0.000 0.964 1057 A CA 0.273 52.321 52.037 0.019 0.000 0.988 1057 A CB 0.287 19.307 19.000 0.034 0.000 1.193 1057 A HN 0.579 nan 8.150 nan 0.000 0.508 1058 A N 0.211 123.030 122.820 -0.001 0.000 1.922 1058 A HA 0.832 5.156 4.320 0.007 0.000 0.192 1058 A C 0.798 178.359 177.584 -0.038 0.000 2.007 1058 A CA 1.047 53.079 52.037 -0.008 0.000 1.054 1058 A CB 0.014 19.020 19.000 0.010 0.000 1.106 1058 A HN 1.773 nan 8.150 nan 0.000 0.639 1059 S N -2.237 113.424 115.700 -0.066 0.000 2.615 1059 S HA 0.335 4.809 4.470 0.007 0.000 0.268 1059 S C -0.057 174.460 174.600 -0.139 0.000 1.146 1059 S CA 0.012 58.155 58.200 -0.095 0.000 0.818 1059 S CB 0.618 63.757 63.200 -0.101 0.000 1.111 1059 S HN 0.308 nan 8.310 nan 0.000 0.465 1060 Q N 0.016 119.724 119.800 -0.154 0.000 2.084 1060 Q HA -0.177 4.167 4.340 0.007 0.000 0.202 1060 Q C 1.847 177.683 176.000 -0.275 0.000 0.978 1060 Q CA 1.815 57.493 55.803 -0.208 0.000 0.844 1060 Q CB -0.325 28.303 28.738 -0.184 0.000 0.898 1060 Q HN 0.740 nan 8.270 nan 0.000 0.426 1061 Q N 0.793 120.442 119.800 -0.253 0.000 2.135 1061 Q HA -0.155 4.189 4.340 0.007 0.000 0.204 1061 Q C 1.874 177.634 176.000 -0.400 0.000 0.981 1061 Q CA 1.787 57.406 55.803 -0.307 0.000 0.856 1061 Q CB -0.375 28.218 28.738 -0.241 0.000 0.902 1061 Q HN 0.394 nan 8.270 nan 0.000 0.425 1062 A N -0.770 121.828 122.820 -0.371 0.000 1.902 1062 A HA -0.145 4.179 4.320 0.007 0.000 0.217 1062 A C 2.241 179.572 177.584 -0.422 0.000 1.181 1062 A CA 1.670 53.391 52.037 -0.527 0.000 0.623 1062 A CB -0.819 18.053 19.000 -0.213 0.000 0.818 1062 A HN 0.271 nan 8.150 nan 0.000 0.443 1063 V N 0.253 120.017 119.914 -0.251 0.000 2.295 1063 V HA -0.296 3.828 4.120 0.007 0.000 0.246 1063 V C 2.431 178.446 176.094 -0.133 0.000 1.049 1063 V CA 2.390 64.615 62.300 -0.124 0.000 1.024 1063 V CB -0.757 30.958 31.823 -0.180 0.000 0.648 1063 V HN 0.551 nan 8.190 nan 0.000 0.447 1064 K N -0.079 120.026 120.400 -0.493 0.000 2.057 1064 K HA -0.183 4.141 4.320 0.007 0.000 0.207 1064 K C 1.894 178.284 176.600 -0.350 0.000 1.049 1064 K CA 1.730 57.523 56.287 -0.823 0.000 0.931 1064 K CB -0.312 31.634 32.500 -0.922 0.000 0.714 1064 K HN 0.469 nan 8.250 nan 0.000 0.440 1065 D N -0.322 119.843 120.400 -0.392 0.000 2.149 1065 D HA -0.098 4.546 4.640 0.007 0.000 0.201 1065 D C 1.730 177.979 176.300 -0.086 0.000 0.972 1065 D CA 1.306 55.107 54.000 -0.332 0.000 0.835 1065 D CB -0.075 40.353 40.800 -0.620 0.000 0.966 1065 D HN 0.381 nan 8.370 nan 0.000 0.476 1066 Y N 0.529 120.823 120.300 -0.010 0.000 2.522 1066 Y HA 0.267 4.821 4.550 0.007 0.000 0.277 1066 Y C 2.457 178.404 175.900 0.078 0.000 1.104 1066 Y CA -0.080 58.030 58.100 0.015 0.000 1.260 1066 Y CB -0.051 38.381 38.460 -0.046 0.000 1.151 1066 Y HN -0.145 nan 8.280 nan 0.000 0.539 1067 A N 1.611 124.593 122.820 0.270 0.000 1.873 1067 A HA -0.379 3.945 4.320 0.007 0.000 0.219 1067 A C 1.869 179.575 177.584 0.203 0.000 1.269 1067 A CA 2.700 54.894 52.037 0.261 0.000 0.671 1067 A CB -1.012 18.213 19.000 0.375 0.000 0.842 1067 A HN 0.558 nan 8.150 nan 0.000 0.460 1068 E N -0.555 119.767 120.200 0.203 0.000 2.097 1068 E HA -0.233 4.121 4.350 0.007 0.000 0.196 1068 E C 2.166 178.839 176.600 0.122 0.000 1.000 1068 E CA 1.595 58.078 56.400 0.138 0.000 0.804 1068 E CB -0.209 29.575 29.700 0.139 0.000 0.740 1068 E HN 0.650 nan 8.360 nan 0.000 0.454 1069 K N 0.467 120.953 120.400 0.142 0.000 2.057 1069 K HA -0.127 4.197 4.320 0.007 0.000 0.207 1069 K C 2.209 178.881 176.600 0.120 0.000 1.049 1069 K CA 1.124 57.485 56.287 0.123 0.000 0.931 1069 K CB -0.159 32.423 32.500 0.137 0.000 0.714 1069 K HN 0.131 nan 8.250 nan 0.000 0.440 1070 I N 1.284 121.942 120.570 0.147 0.000 2.179 1070 I HA -0.307 3.867 4.170 0.007 0.000 0.242 1070 I C 2.216 178.403 176.117 0.117 0.000 1.088 1070 I CA 1.312 62.703 61.300 0.152 0.000 1.357 1070 I CB -0.338 37.774 38.000 0.186 0.000 1.051 1070 I HN 0.111 nan 8.210 nan 0.000 0.409 1071 L N 0.274 121.560 121.223 0.104 0.000 2.083 1071 L HA -0.204 4.141 4.340 0.007 0.000 0.209 1071 L C 2.573 179.478 176.870 0.058 0.000 1.083 1071 L CA 1.126 56.010 54.840 0.073 0.000 0.752 1071 L CB -0.710 41.381 42.059 0.054 0.000 0.899 1071 L HN 0.176 nan 8.230 nan 0.000 0.433 1072 K N 0.513 120.950 120.400 0.062 0.000 2.147 1072 K HA -0.060 4.264 4.320 0.007 0.000 0.205 1072 K C 1.935 178.563 176.600 0.046 0.000 1.049 1072 K CA 1.359 57.676 56.287 0.050 0.000 0.936 1072 K CB -0.394 32.139 32.500 0.054 0.000 0.722 1072 K HN 0.281 nan 8.250 nan 0.000 0.446 1073 A N 0.288 123.142 122.820 0.056 0.000 2.235 1073 A HA 0.239 4.563 4.320 0.007 0.000 0.208 1073 A C 1.187 178.794 177.584 0.038 0.000 1.172 1073 A CA 0.906 52.971 52.037 0.046 0.000 0.786 1073 A CB -0.415 18.618 19.000 0.055 0.000 0.804 1073 A HN 0.369 nan 8.150 nan 0.000 0.479 1074 G N -0.924 107.901 108.800 0.042 0.000 2.149 1074 G HA2 -0.208 3.756 3.960 0.007 0.000 0.235 1074 G HA3 -0.208 3.756 3.960 0.007 0.000 0.235 1074 G C -0.088 174.841 174.900 0.048 0.000 1.018 1074 G CA 0.334 45.457 45.100 0.038 0.000 0.728 1074 G HN 0.520 nan 8.290 nan 0.000 0.508 1075 I N 0.755 121.364 120.570 0.065 0.000 2.436 1075 I HA 0.327 4.501 4.170 0.007 0.000 0.289 1075 I C -0.432 175.751 176.117 0.110 0.000 1.010 1075 I CA -1.090 60.261 61.300 0.085 0.000 1.098 1075 I CB 1.509 39.565 38.000 0.092 0.000 1.266 1075 I HN -0.101 nan 8.210 nan 0.000 0.434 1076 D N 5.041 125.520 120.400 0.132 0.000 2.339 1076 D HA 0.379 5.023 4.640 0.007 0.000 0.245 1076 D C -0.649 175.773 176.300 0.204 0.000 1.115 1076 D CA -0.031 54.069 54.000 0.166 0.000 0.917 1076 D CB 1.958 42.914 40.800 0.260 0.000 1.192 1076 D HN 0.140 nan 8.370 nan 0.000 0.428 1077 L N 1.833 123.181 121.223 0.208 0.000 2.381 1077 L HA 0.438 4.782 4.340 0.007 0.000 0.274 1077 L C -1.079 175.951 176.870 0.267 0.000 0.988 1077 L CA -0.464 54.506 54.840 0.217 0.000 0.824 1077 L CB 1.389 43.557 42.059 0.181 0.000 1.263 1077 L HN 0.285 nan 8.230 nan 0.000 0.410 1078 I N 5.663 126.376 120.570 0.237 0.000 2.325 1078 I HA 0.378 4.552 4.170 0.007 0.000 0.291 1078 I C -0.586 175.626 176.117 0.157 0.000 1.019 1078 I CA -0.646 60.782 61.300 0.215 0.000 1.302 1078 I CB 1.487 39.556 38.000 0.114 0.000 1.401 1078 I HN 0.291 nan 8.210 nan 0.000 0.485 1079 V N 7.589 127.603 119.914 0.166 0.000 2.435 1079 V HA 0.298 4.423 4.120 0.007 0.000 0.290 1079 V C 0.577 176.724 176.094 0.088 0.000 1.030 1079 V CA -0.312 62.069 62.300 0.135 0.000 0.881 1079 V CB 2.122 34.078 31.823 0.222 0.000 0.983 1079 V HN 0.708 nan 8.190 nan 0.000 0.445 1080 L N 2.111 123.358 121.223 0.040 0.000 2.547 1080 L HA 0.189 4.533 4.340 0.007 0.000 0.218 1080 L C 1.367 178.230 176.870 -0.012 0.000 1.048 1080 L CA 0.425 55.273 54.840 0.012 0.000 0.859 1080 L CB 0.651 42.709 42.059 -0.002 0.000 1.128 1080 L HN 0.631 nan 8.230 nan 0.000 0.483 1081 S N 0.152 115.828 115.700 -0.039 0.000 3.983 1081 S HA 0.005 4.479 4.470 0.007 0.000 0.194 1081 S C 1.469 175.994 174.600 -0.125 0.000 1.464 1081 S CA 0.222 58.374 58.200 -0.079 0.000 1.021 1081 S CB -0.111 63.027 63.200 -0.103 0.000 1.424 1081 S HN 0.429 nan 8.310 nan 0.000 0.473 1082 T N -1.127 113.399 114.554 -0.048 0.000 3.025 1082 T HA -0.083 4.272 4.350 0.007 0.000 0.270 1082 T C 1.958 176.652 174.700 -0.010 0.000 1.126 1082 T CA 1.087 63.200 62.100 0.021 0.000 1.105 1082 T CB -0.398 68.560 68.868 0.150 0.000 0.884 1082 T HN 0.484 nan 8.240 nan 0.000 0.522 1083 G N 0.904 109.673 108.800 -0.051 0.000 2.498 1083 G HA2 0.102 4.066 3.960 0.007 0.000 0.219 1083 G HA3 0.102 4.066 3.960 0.007 0.000 0.219 1083 G C 1.743 176.601 174.900 -0.069 0.000 1.119 1083 G CA 0.514 45.595 45.100 -0.032 0.000 0.766 1083 G HN 0.734 nan 8.290 nan 0.000 0.552 1084 A N 0.536 123.234 122.820 -0.203 0.000 2.019 1084 A HA 0.150 4.475 4.320 0.007 0.000 0.219 1084 A C 1.905 179.463 177.584 -0.044 0.000 1.164 1084 A CA 0.683 52.572 52.037 -0.248 0.000 0.644 1084 A CB -0.473 18.266 19.000 -0.435 0.000 0.805 1084 A HN 0.401 nan 8.150 nan 0.000 0.449 1085 F N -0.365 119.685 119.950 0.166 0.000 2.802 1085 F HA 0.114 4.645 4.527 0.007 0.000 0.300 1085 F C 2.342 178.196 175.800 0.090 0.000 1.168 1085 F CA 0.093 58.183 58.000 0.150 0.000 1.433 1085 F CB 0.060 39.094 39.000 0.057 0.000 1.115 1085 F HN 0.286 nan 8.300 nan 0.000 0.582 1086 A N -0.806 122.132 122.820 0.197 0.000 2.014 1086 A HA -0.175 4.149 4.320 0.007 0.000 0.218 1086 A C 1.238 178.897 177.584 0.124 0.000 1.163 1086 A CA 0.783 52.895 52.037 0.126 0.000 0.652 1086 A CB -0.393 18.648 19.000 0.069 0.000 0.808 1086 A HN 0.210 nan 8.150 nan 0.000 0.449 1087 D N 0.917 121.409 120.400 0.153 0.000 2.398 1087 D HA -0.001 4.643 4.640 0.007 0.000 0.250 1087 D C 1.435 177.852 176.300 0.196 0.000 1.287 1087 D CA -0.202 53.889 54.000 0.152 0.000 0.992 1087 D CB 0.257 41.150 40.800 0.154 0.000 1.071 1087 D HN 0.402 nan 8.370 nan 0.000 0.514 1088 R N 3.127 123.704 120.500 0.127 0.000 2.133 1088 R HA -0.202 4.142 4.340 0.007 0.000 0.247 1088 R C 0.574 176.930 176.300 0.092 0.000 1.151 1088 R CA 1.031 57.189 56.100 0.097 0.000 0.971 1088 R CB -0.577 29.760 30.300 0.062 0.000 0.866 1088 R HN 0.325 nan 8.270 nan 0.000 0.447 1089 D N 0.578 121.043 120.400 0.108 0.000 2.097 1089 D HA -0.113 4.532 4.640 0.007 0.000 0.197 1089 D C 1.725 178.111 176.300 0.142 0.000 0.984 1089 D CA 0.946 55.006 54.000 0.100 0.000 0.826 1089 D CB -0.501 40.355 40.800 0.094 0.000 0.973 1089 D HN 0.163 nan 8.370 nan 0.000 0.460 1090 F N 1.738 121.721 119.950 0.053 0.000 2.095 1090 F HA -0.186 4.345 4.527 0.007 0.000 0.298 1090 F C 2.088 177.964 175.800 0.127 0.000 1.104 1090 F CA 0.823 58.868 58.000 0.076 0.000 1.232 1090 F CB -0.595 38.443 39.000 0.064 0.000 0.987 1090 F HN -0.086 nan 8.300 nan 0.000 0.475 1091 L N 0.196 121.444 121.223 0.041 0.000 2.043 1091 L HA -0.216 4.128 4.340 0.007 0.000 0.212 1091 L C 2.389 179.154 176.870 -0.174 0.000 1.075 1091 L CA 2.340 57.129 54.840 -0.085 0.000 0.752 1091 L CB -1.342 40.732 42.059 0.025 0.000 0.891 1091 L HN 0.179 nan 8.230 nan 0.000 0.432 1092 S N -0.503 115.148 115.700 -0.081 0.000 2.348 1092 S HA -0.229 4.246 4.470 0.007 0.000 0.221 1092 S C 2.075 176.618 174.600 -0.094 0.000 1.033 1092 S CA 1.551 59.706 58.200 -0.074 0.000 1.010 1092 S CB -0.451 62.735 63.200 -0.024 0.000 0.891 1092 S HN 0.497 nan 8.310 nan 0.000 0.442 1093 R N 0.895 121.345 120.500 -0.083 0.000 2.096 1093 R HA -0.075 4.269 4.340 0.007 0.000 0.235 1093 R C 2.030 178.247 176.300 -0.138 0.000 1.127 1093 R CA 1.221 57.277 56.100 -0.072 0.000 0.968 1093 R CB -0.389 29.909 30.300 -0.004 0.000 0.861 1093 R HN 0.259 nan 8.270 nan 0.000 0.440 1094 V N 1.084 120.831 119.914 -0.279 0.000 2.343 1094 V HA -0.228 3.896 4.120 0.007 0.000 0.247 1094 V C 2.408 178.383 176.094 -0.199 0.000 1.051 1094 V CA 1.895 64.023 62.300 -0.287 0.000 1.036 1094 V CB -0.539 31.022 31.823 -0.437 0.000 0.654 1094 V HN 0.382 nan 8.190 nan 0.000 0.451 1095 R N -0.122 120.253 120.500 -0.209 0.000 2.096 1095 R HA -0.172 4.172 4.340 0.007 0.000 0.235 1095 R C 2.285 178.519 176.300 -0.110 0.000 1.127 1095 R CA 1.592 57.592 56.100 -0.167 0.000 0.968 1095 R CB -0.330 29.875 30.300 -0.158 0.000 0.861 1095 R HN 0.633 nan 8.270 nan 0.000 0.440 1096 E N 0.234 120.380 120.200 -0.091 0.000 2.077 1096 E HA -0.146 4.208 4.350 0.007 0.000 0.193 1096 E C 2.069 178.641 176.600 -0.047 0.000 0.989 1096 E CA 1.293 57.658 56.400 -0.057 0.000 0.800 1096 E CB 0.017 29.693 29.700 -0.041 0.000 0.746 1096 E HN 0.086 nan 8.360 nan 0.000 0.452 1097 V N 0.767 120.651 119.914 -0.051 0.000 2.343 1097 V HA -0.294 3.830 4.120 0.007 0.000 0.247 1097 V C 2.417 178.490 176.094 -0.035 0.000 1.051 1097 V CA 1.385 63.666 62.300 -0.030 0.000 1.036 1097 V CB -0.418 31.394 31.823 -0.019 0.000 0.654 1097 V HN 0.468 nan 8.190 nan 0.000 0.451 1098 C N -0.353 118.911 119.300 -0.060 0.000 2.413 1098 C HA -0.147 4.318 4.460 0.007 0.000 0.276 1098 C C 2.918 177.877 174.990 -0.052 0.000 1.248 1098 C CA 0.927 59.906 59.018 -0.064 0.000 1.742 1098 C CB -1.164 26.514 27.740 -0.102 0.000 2.017 1098 C HN 0.499 nan 8.230 nan 0.000 0.481 1099 R N 0.868 121.338 120.500 -0.050 0.000 2.080 1099 R HA -0.179 4.166 4.340 0.007 0.000 0.236 1099 R C 2.313 178.598 176.300 -0.024 0.000 1.137 1099 R CA 1.736 57.813 56.100 -0.038 0.000 0.943 1099 R CB -0.423 29.856 30.300 -0.035 0.000 0.846 1099 R HN 0.571 nan 8.270 nan 0.000 0.431 1100 K N 0.449 120.837 120.400 -0.020 0.000 2.025 1100 K HA -0.125 4.200 4.320 0.007 0.000 0.207 1100 K C 2.058 178.654 176.600 -0.006 0.000 1.049 1100 K CA 2.018 58.298 56.287 -0.010 0.000 0.933 1100 K CB -0.098 32.398 32.500 -0.006 0.000 0.714 1100 K HN 0.278 nan 8.250 nan 0.000 0.438 1101 T N -3.141 111.410 114.554 -0.006 0.000 3.023 1101 T HA 0.102 4.456 4.350 0.007 0.000 0.266 1101 T C 1.402 176.100 174.700 -0.002 0.000 1.093 1101 T CA 0.772 62.872 62.100 0.001 0.000 1.129 1101 T CB -0.216 68.656 68.868 0.006 0.000 0.899 1101 T HN 0.458 nan 8.240 nan 0.000 0.491 1102 G N 1.794 110.587 108.800 -0.012 0.000 2.153 1102 G HA2 -0.231 3.733 3.960 0.007 0.000 0.252 1102 G HA3 -0.231 3.733 3.960 0.007 0.000 0.252 1102 G C 0.172 175.062 174.900 -0.017 0.000 0.994 1102 G CA -0.123 44.968 45.100 -0.014 0.000 0.698 1102 G HN 0.601 nan 8.290 nan 0.000 0.521 1103 R N -0.353 120.134 120.500 -0.021 0.000 2.543 1103 R HA 0.690 5.034 4.340 0.007 0.000 0.268 1103 R C 0.758 177.015 176.300 -0.073 0.000 1.067 1103 R CA -0.375 55.713 56.100 -0.021 0.000 1.142 1103 R CB 0.559 30.859 30.300 0.001 0.000 1.110 1103 R HN 0.424 nan 8.270 nan 0.000 0.549 1104 R N -0.271 120.167 120.500 -0.104 0.000 2.740 1104 R HA 0.544 4.889 4.340 0.007 0.000 0.282 1104 R C -0.919 175.214 176.300 -0.278 0.000 0.969 1104 R CA -0.905 55.031 56.100 -0.273 0.000 0.918 1104 R CB 2.125 32.130 30.300 -0.492 0.000 1.175 1104 R HN 0.188 nan 8.270 nan 0.000 0.464 1105 V N 3.487 123.198 119.914 -0.338 0.000 2.376 1105 V HA 0.289 4.413 4.120 0.007 0.000 0.287 1105 V C -1.210 174.725 176.094 -0.266 0.000 1.015 1105 V CA -0.765 61.429 62.300 -0.176 0.000 0.834 1105 V CB 0.959 32.724 31.823 -0.097 0.000 1.001 1105 V HN 0.601 nan 8.190 nan 0.000 0.428 1106 Y N 4.823 125.132 120.300 0.015 0.000 2.365 1106 Y HA 0.434 4.988 4.550 0.008 0.000 0.340 1106 Y C 0.519 176.425 175.900 0.009 0.000 1.016 1106 Y CA -0.805 57.293 58.100 -0.004 0.000 1.196 1106 Y CB 0.921 39.387 38.460 0.009 0.000 1.167 1106 Y HN 0.366 nan 8.280 nan 0.000 0.509 1107 I N 4.126 124.752 120.570 0.092 0.000 2.308 1107 I HA 0.195 4.369 4.170 0.007 0.000 0.293 1107 I C 0.650 176.802 176.117 0.059 0.000 1.078 1107 I CA -0.609 60.731 61.300 0.067 0.000 1.292 1107 I CB -0.141 37.846 38.000 -0.021 0.000 1.423 1107 I HN 0.677 nan 8.210 nan 0.000 0.493 1108 A N 4.963 127.820 122.820 0.062 0.000 2.511 1108 A HA 0.195 4.519 4.320 0.007 0.000 0.242 1108 A C 1.408 178.990 177.584 -0.003 0.000 1.069 1108 A CA 0.207 52.256 52.037 0.020 0.000 0.763 1108 A CB 0.226 19.229 19.000 0.006 0.000 1.001 1108 A HN 0.845 nan 8.150 nan 0.000 0.498 1109 S N 2.537 118.225 115.700 -0.020 0.000 2.474 1109 S HA 0.265 4.739 4.470 0.007 0.000 0.235 1109 S C 1.509 176.084 174.600 -0.042 0.000 0.997 1109 S CA 0.890 59.072 58.200 -0.029 0.000 0.949 1109 S CB -1.108 62.075 63.200 -0.029 0.000 0.766 1109 S HN 2.537 nan 8.310 nan 0.000 0.517 1110 G N 2.058 110.831 108.800 -0.045 0.000 2.596 1110 G HA2 -0.233 3.731 3.960 0.007 0.000 0.295 1110 G HA3 -0.233 3.731 3.960 0.007 0.000 0.295 1110 G C 0.850 175.721 174.900 -0.049 0.000 1.240 1110 G CA 0.512 45.581 45.100 -0.051 0.000 0.985 1110 G HN 1.463 nan 8.290 nan 0.000 0.555 1111 A N 0.211 123.006 122.820 -0.042 0.000 2.259 1111 A HA 0.572 4.897 4.320 0.007 0.000 0.208 1111 A C 1.221 178.826 177.584 0.036 0.000 1.201 1111 A CA 1.501 53.547 52.037 0.016 0.000 0.824 1111 A CB -0.884 18.181 19.000 0.108 0.000 0.838 1111 A HN 1.616 nan 8.150 nan 0.000 0.485 1112 I N -6.172 114.379 120.570 -0.032 0.000 3.457 1112 I HA 0.934 5.108 4.170 0.007 0.000 0.307 1112 I C 0.180 176.288 176.117 -0.014 0.000 1.138 1112 I CA -1.188 60.103 61.300 -0.014 0.000 0.974 1112 I CB 1.686 39.647 38.000 -0.066 0.000 1.324 1112 I HN -0.018 nan 8.210 nan 0.000 0.485 1113 G N -1.155 107.643 108.800 -0.002 0.000 2.733 1113 G HA2 0.562 4.526 3.960 0.007 0.000 0.288 1113 G HA3 0.562 4.526 3.960 0.007 0.000 0.288 1113 G C 0.202 175.104 174.900 0.003 0.000 1.373 1113 G CA -0.595 44.503 45.100 -0.002 0.000 0.895 1113 G HN 1.674 nan 8.290 nan 0.000 0.479 1114 G N -1.222 107.580 108.800 0.003 0.000 2.175 1114 G HA2 -0.193 3.771 3.960 0.007 0.000 0.244 1114 G HA3 -0.193 3.771 3.960 0.007 0.000 0.244 1114 G C 1.203 176.105 174.900 0.003 0.000 0.982 1114 G CA 0.549 45.651 45.100 0.004 0.000 0.641 1114 G HN 0.701 nan 8.290 nan 0.000 0.527 1115 L N 1.853 123.080 121.223 0.006 0.000 2.131 1115 L HA 0.006 4.350 4.340 0.007 0.000 0.210 1115 L C 2.744 179.644 176.870 0.050 0.000 1.092 1115 L CA 2.800 57.650 54.840 0.016 0.000 0.759 1115 L CB -1.409 40.647 42.059 -0.005 0.000 0.903 1115 L HN 0.613 nan 8.230 nan 0.000 0.435 1116 D N 0.338 120.762 120.400 0.039 0.000 2.092 1116 D HA -0.193 4.451 4.640 0.007 0.000 0.193 1116 D C 2.080 178.394 176.300 0.025 0.000 0.994 1116 D CA 1.524 55.558 54.000 0.057 0.000 0.828 1116 D CB -0.486 40.334 40.800 0.033 0.000 0.963 1116 D HN 0.183 nan 8.370 nan 0.000 0.450 1117 A N 0.404 123.208 122.820 -0.027 0.000 1.930 1117 A HA -0.037 4.288 4.320 0.007 0.000 0.217 1117 A C 2.495 179.977 177.584 -0.171 0.000 1.175 1117 A CA 1.185 53.155 52.037 -0.111 0.000 0.627 1117 A CB -0.849 18.083 19.000 -0.114 0.000 0.815 1117 A HN 0.300 nan 8.150 nan 0.000 0.443 1118 I N -1.864 118.655 120.570 -0.085 0.000 2.179 1118 I HA -0.215 3.959 4.170 0.007 0.000 0.242 1118 I C 2.358 178.480 176.117 0.008 0.000 1.088 1118 I CA 1.488 62.747 61.300 -0.069 0.000 1.357 1118 I CB -0.372 37.630 38.000 0.004 0.000 1.051 1118 I HN 0.411 nan 8.210 nan 0.000 0.409 1119 F N 1.726 121.618 119.950 -0.096 0.000 2.146 1119 F HA -0.181 4.350 4.527 0.007 0.000 0.298 1119 F C 2.660 178.406 175.800 -0.090 0.000 1.096 1119 F CA 1.342 59.297 58.000 -0.076 0.000 1.275 1119 F CB -0.608 38.358 39.000 -0.057 0.000 1.008 1119 F HN -0.067 nan 8.300 nan 0.000 0.480 1120 S N 0.372 115.962 115.700 -0.183 0.000 2.365 1120 S HA -0.184 4.290 4.470 0.007 0.000 0.225 1120 S C 1.965 176.393 174.600 -0.288 0.000 1.039 1120 S CA 1.427 59.456 58.200 -0.283 0.000 1.033 1120 S CB -0.885 62.205 63.200 -0.183 0.000 0.887 1120 S HN 0.459 nan 8.310 nan 0.000 0.447 1121 A N 1.164 123.804 122.820 -0.299 0.000 2.415 1121 A HA 0.313 4.638 4.320 0.007 0.000 0.248 1121 A C 1.911 179.406 177.584 -0.149 0.000 1.299 1121 A CA 0.658 52.522 52.037 -0.288 0.000 0.899 1121 A CB -0.527 18.048 19.000 -0.709 0.000 0.997 1121 A HN 0.498 nan 8.150 nan 0.000 0.506 1122 S N 0.566 116.189 115.700 -0.128 0.000 2.387 1122 S HA -0.263 4.212 4.470 0.007 0.000 0.230 1122 S C 1.361 175.960 174.600 -0.002 0.000 1.035 1122 S CA 1.733 59.917 58.200 -0.025 0.000 1.014 1122 S CB -0.467 62.750 63.200 0.028 0.000 0.836 1122 S HN 0.685 nan 8.310 nan 0.000 0.466 1123 E N 0.672 120.851 120.200 -0.034 0.000 2.347 1123 E HA 0.109 4.464 4.350 0.007 0.000 0.196 1123 E C 0.772 177.393 176.600 0.034 0.000 1.008 1123 E CA 0.694 57.091 56.400 -0.006 0.000 0.852 1123 E CB -0.154 29.528 29.700 -0.030 0.000 0.783 1123 E HN 0.578 nan 8.360 nan 0.000 0.505 1124 L N 1.363 122.629 121.223 0.071 0.000 3.141 1124 L HA 0.340 4.684 4.340 0.007 0.000 0.267 1124 L C -0.161 176.844 176.870 0.226 0.000 1.281 1124 L CA -0.291 54.633 54.840 0.141 0.000 1.037 1124 L CB 0.495 42.667 42.059 0.189 0.000 1.407 1124 L HN -0.022 nan 8.230 nan 0.000 0.566 1125 I N 0.139 120.812 120.570 0.172 0.000 2.331 1125 I HA 0.126 4.300 4.170 0.007 0.000 0.292 1125 I C 0.790 176.976 176.117 0.114 0.000 0.998 1125 I CA 0.028 61.449 61.300 0.201 0.000 1.267 1125 I CB 1.878 39.976 38.000 0.163 0.000 1.386 1125 I HN 0.263 nan 8.210 nan 0.000 0.476 1126 E N 3.977 124.231 120.200 0.090 0.000 2.340 1126 E HA 0.086 4.440 4.350 0.007 0.000 0.198 1126 E C 0.188 176.814 176.600 0.045 0.000 0.961 1126 E CA 0.209 56.636 56.400 0.046 0.000 0.905 1126 E CB 0.872 30.580 29.700 0.013 0.000 0.884 1126 E HN 0.585 nan 8.360 nan 0.000 0.491 1127 E N 0.858 121.093 120.200 0.057 0.000 2.321 1127 E HA 0.472 4.826 4.350 0.007 0.000 0.278 1127 E C -1.803 174.843 176.600 0.075 0.000 0.902 1127 E CA -0.524 55.907 56.400 0.053 0.000 0.758 1127 E CB 2.102 31.820 29.700 0.031 0.000 1.213 1127 E HN 0.028 nan 8.360 nan 0.000 0.426 1128 I N 4.264 124.875 120.570 0.068 0.000 2.627 1128 I HA 0.395 4.569 4.170 0.007 0.000 0.288 1128 I C -2.033 174.122 176.117 0.063 0.000 1.202 1128 I CA -0.657 60.687 61.300 0.074 0.000 1.050 1128 I CB 1.584 39.632 38.000 0.080 0.000 1.264 1128 I HN 0.382 nan 8.210 nan 0.000 0.429 1129 V N 7.383 127.333 119.914 0.060 0.000 2.709 1129 V HA 0.497 4.621 4.120 0.007 0.000 0.308 1129 V C -0.755 175.374 176.094 0.059 0.000 1.062 1129 V CA -0.684 61.650 62.300 0.057 0.000 0.901 1129 V CB 1.970 33.822 31.823 0.048 0.000 1.003 1129 V HN 0.586 nan 8.190 nan 0.000 0.425 1130 L N 3.995 125.256 121.223 0.064 0.000 2.313 1130 L HA 0.808 5.152 4.340 0.007 0.000 0.283 1130 L C -0.090 176.826 176.870 0.076 0.000 1.013 1130 L CA 0.587 55.467 54.840 0.066 0.000 0.816 1130 L CB 1.967 44.059 42.059 0.055 0.000 1.236 1130 L HN 0.721 nan 8.230 nan 0.000 0.419 1131 T N 3.516 118.117 114.554 0.078 0.000 2.815 1131 T HA 0.518 4.872 4.350 0.007 0.000 0.289 1131 T C -0.493 174.260 174.700 0.089 0.000 1.000 1131 T CA -0.322 61.820 62.100 0.070 0.000 0.958 1131 T CB 1.009 69.905 68.868 0.047 0.000 0.944 1131 T HN 0.684 nan 8.240 nan 0.000 0.442 1132 T N 4.707 119.312 114.554 0.086 0.000 2.807 1132 T HA 0.505 4.859 4.350 0.007 0.000 0.279 1132 T C -0.124 174.578 174.700 0.004 0.000 0.993 1132 T CA -0.881 61.276 62.100 0.095 0.000 0.970 1132 T CB 0.949 69.927 68.868 0.183 0.000 0.950 1132 T HN 0.396 nan 8.240 nan 0.000 0.441 1133 R N 2.680 123.153 120.500 -0.045 0.000 2.437 1133 R HA 0.649 4.993 4.340 0.007 0.000 0.310 1133 R C -0.536 175.745 176.300 -0.032 0.000 0.955 1133 R CA -0.930 55.151 56.100 -0.032 0.000 0.851 1133 R CB 2.026 32.310 30.300 -0.026 0.000 1.161 1133 R HN 0.442 nan 8.270 nan 0.000 0.446 1134 K N 0.976 121.400 120.400 0.041 0.000 2.433 1134 K HA 0.249 4.574 4.320 0.007 0.000 0.252 1134 K C -0.685 176.007 176.600 0.153 0.000 1.015 1134 K CA -1.073 55.270 56.287 0.092 0.000 0.860 1134 K CB 1.916 34.534 32.500 0.196 0.000 1.359 1134 K HN 0.429 nan 8.250 nan 0.000 0.452 1135 N N 2.169 120.925 118.700 0.093 0.000 2.454 1135 N HA -0.059 4.685 4.740 0.007 0.000 0.260 1135 N C 0.947 176.525 175.510 0.114 0.000 1.218 1135 N CA 0.159 53.246 53.050 0.061 0.000 0.904 1135 N CB 0.487 38.926 38.487 -0.080 0.000 1.065 1135 N HN 0.662 nan 8.380 nan 0.000 0.462 1136 W N 6.188 127.585 121.300 0.163 0.000 2.402 1136 W HA -0.096 4.568 4.660 0.006 0.000 0.286 1136 W C 1.205 177.846 176.519 0.204 0.000 1.221 1136 W CA 0.111 57.604 57.345 0.246 0.000 1.257 1136 W CB -0.672 28.868 29.460 0.133 0.000 1.120 1136 W HN 0.584 nan 8.180 nan 0.000 0.551 1137 R N 1.604 121.286 120.500 -1.363 0.000 2.133 1137 R HA -0.285 4.059 4.340 0.007 0.000 0.245 1137 R C 2.463 178.457 176.300 -0.510 0.000 1.137 1137 R CA 3.033 58.366 56.100 -1.278 0.000 0.947 1137 R CB -1.196 28.455 30.300 -1.081 0.000 0.865 1137 R HN 0.495 nan 8.270 nan 0.000 0.437 1138 Q N -0.234 119.295 119.800 -0.452 0.000 2.364 1138 Q HA -0.139 4.205 4.340 0.007 0.000 0.209 1138 Q C 1.159 176.897 176.000 -0.438 0.000 0.977 1138 Q CA 1.436 56.961 55.803 -0.463 0.000 0.885 1138 Q CB -0.130 28.235 28.738 -0.622 0.000 0.941 1138 Q HN 0.356 nan 8.270 nan 0.000 0.464 1139 F N 0.176 120.123 119.950 -0.005 0.000 2.746 1139 F HA 0.365 4.896 4.527 0.007 0.000 0.297 1139 F C 1.686 177.570 175.800 0.141 0.000 1.113 1139 F CA 0.441 58.499 58.000 0.096 0.000 1.367 1139 F CB 0.537 39.620 39.000 0.138 0.000 1.111 1139 F HN 0.251 nan 8.300 nan 0.000 0.590 1140 G N 1.309 110.284 108.800 0.291 0.000 2.162 1140 G HA2 -0.317 3.647 3.960 0.007 0.000 0.260 1140 G HA3 -0.317 3.647 3.960 0.007 0.000 0.260 1140 G C 0.288 175.455 174.900 0.445 0.000 0.976 1140 G CA 0.431 45.722 45.100 0.319 0.000 0.655 1140 G HN 0.622 nan 8.290 nan 0.000 0.533 1141 R N -2.180 118.659 120.500 0.565 0.000 2.774 1141 R HA 0.718 5.062 4.340 0.007 0.000 0.279 1141 R C -1.011 175.497 176.300 0.346 0.000 1.022 1141 R CA -1.188 55.131 56.100 0.365 0.000 0.855 1141 R CB 0.637 31.051 30.300 0.190 0.000 1.279 1141 R HN 0.143 nan 8.270 nan 0.000 0.485 1142 K N 0.184 120.631 120.400 0.079 0.000 2.185 1142 K HA 0.813 5.137 4.320 0.007 0.000 0.240 1142 K C -0.306 176.298 176.600 0.008 0.000 0.983 1142 K CA -0.308 56.002 56.287 0.038 0.000 0.873 1142 K CB 1.881 34.287 32.500 -0.157 0.000 1.118 1142 K HN 0.964 nan 8.250 nan 0.000 0.441 1143 G N -0.523 108.275 108.800 -0.003 0.000 2.434 1143 G HA2 -0.162 3.802 3.960 0.007 0.000 0.671 1143 G HA3 -0.162 3.802 3.960 0.007 0.000 0.671 1143 G C -1.115 173.762 174.900 -0.038 0.000 1.280 1143 G CA -1.077 44.011 45.100 -0.021 0.000 0.975 1143 G HN 0.352 nan 8.290 nan 0.000 0.510 1144 V N 1.088 120.982 119.914 -0.032 0.000 2.485 1144 V HA 0.214 4.338 4.120 0.007 0.000 0.287 1144 V C 1.682 177.758 176.094 -0.029 0.000 1.022 1144 V CA 0.963 63.242 62.300 -0.035 0.000 1.067 1144 V CB 0.709 32.517 31.823 -0.024 0.000 0.967 1144 V HN 0.588 nan 8.190 nan 0.000 0.479 1145 I N 4.511 125.046 120.570 -0.057 0.000 2.867 1145 I HA 0.230 4.405 4.170 0.007 0.000 0.265 1145 I C 0.336 176.586 176.117 0.221 0.000 1.162 1145 I CA 0.929 62.224 61.300 -0.008 0.000 1.471 1145 I CB 0.256 38.084 38.000 -0.286 0.000 1.123 1145 I HN 0.559 nan 8.210 nan 0.000 0.440 1146 F N 0.789 120.749 119.950 0.017 0.000 2.672 1146 F HA 0.449 4.980 4.527 0.007 0.000 0.311 1146 F C -1.643 174.190 175.800 0.055 0.000 1.113 1146 F CA -0.610 57.453 58.000 0.104 0.000 0.996 1146 F CB 1.463 40.647 39.000 0.307 0.000 1.286 1146 F HN -0.189 nan 8.300 nan 0.000 0.441 1147 E N 3.671 123.395 120.200 -0.794 0.000 2.274 1147 E HA 0.651 5.005 4.350 0.007 0.000 0.269 1147 E C -0.604 175.488 176.600 -0.846 0.000 0.891 1147 E CA -0.836 55.249 56.400 -0.524 0.000 0.784 1147 E CB 2.157 31.710 29.700 -0.244 0.000 1.225 1147 E HN 1.057 nan 8.360 nan 0.000 0.412 1148 G N 1.169 109.715 108.800 -0.424 0.000 2.336 1148 G HA2 0.173 4.137 3.960 0.007 0.000 0.286 1148 G HA3 0.173 4.137 3.960 0.007 0.000 0.286 1148 G C -0.818 174.179 174.900 0.161 0.000 1.269 1148 G CA -0.302 44.690 45.100 -0.181 0.000 0.873 1148 G HN 0.485 nan 8.290 nan 0.000 0.494 1149 S N -0.317 115.507 115.700 0.206 0.000 2.632 1149 S HA 0.625 5.099 4.470 0.007 0.000 0.267 1149 S C 1.713 176.464 174.600 0.252 0.000 1.276 1149 S CA 0.833 59.148 58.200 0.192 0.000 0.998 1149 S CB 1.526 64.803 63.200 0.128 0.000 0.953 1149 S HN 2.075 nan 8.310 nan 0.000 0.547 1150 A N 1.625 124.543 122.820 0.162 0.000 1.930 1150 A HA -0.032 4.292 4.320 0.007 0.000 0.217 1150 A C 2.428 180.071 177.584 0.099 0.000 1.175 1150 A CA 1.821 53.930 52.037 0.121 0.000 0.627 1150 A CB -1.672 17.377 19.000 0.082 0.000 0.815 1150 A HN 1.262 nan 8.150 nan 0.000 0.443 1151 S N 1.180 116.940 115.700 0.101 0.000 2.368 1151 S HA -0.258 4.216 4.470 0.007 0.000 0.225 1151 S C 1.791 176.444 174.600 0.087 0.000 1.030 1151 S CA 1.492 59.741 58.200 0.082 0.000 0.999 1151 S CB -0.741 62.504 63.200 0.075 0.000 0.844 1151 S HN 0.831 nan 8.310 nan 0.000 0.459 1152 E N 2.029 122.315 120.200 0.144 0.000 2.208 1152 E HA 0.099 4.454 4.350 0.007 0.000 0.193 1152 E C 2.120 178.788 176.600 0.114 0.000 0.988 1152 E CA 0.765 57.270 56.400 0.174 0.000 0.828 1152 E CB -0.518 29.346 29.700 0.273 0.000 0.763 1152 E HN 0.626 nan 8.360 nan 0.000 0.478 1153 A N 2.003 124.851 122.820 0.046 0.000 1.902 1153 A HA 0.014 4.339 4.320 0.007 0.000 0.217 1153 A C 2.530 180.061 177.584 -0.088 0.000 1.181 1153 A CA 1.652 53.479 52.037 -0.351 0.000 0.623 1153 A CB -0.757 18.084 19.000 -0.266 0.000 0.818 1153 A HN 0.395 nan 8.150 nan 0.000 0.443 1154 A N -0.646 122.166 122.820 -0.014 0.000 1.972 1154 A HA -0.198 4.126 4.320 0.007 0.000 0.219 1154 A C 2.103 179.675 177.584 -0.021 0.000 1.169 1154 A CA 1.638 53.679 52.037 0.007 0.000 0.635 1154 A CB -0.473 18.538 19.000 0.018 0.000 0.810 1154 A HN 0.693 nan 8.150 nan 0.000 0.446 1155 Q N -0.857 118.920 119.800 -0.039 0.000 2.096 1155 Q HA -0.084 4.260 4.340 0.007 0.000 0.197 1155 Q C 2.114 178.029 176.000 -0.142 0.000 0.964 1155 Q CA 1.446 57.214 55.803 -0.059 0.000 0.838 1155 Q CB -0.150 28.573 28.738 -0.025 0.000 0.906 1155 Q HN 0.678 nan 8.270 nan 0.000 0.444 1156 K N 0.044 120.288 120.400 -0.259 0.000 2.296 1156 K HA -0.021 4.304 4.320 0.007 0.000 0.200 1156 K C -0.389 175.703 176.600 -0.848 0.000 1.048 1156 K CA 0.529 56.482 56.287 -0.557 0.000 0.966 1156 K CB 0.381 32.446 32.500 -0.726 0.000 0.754 1156 K HN 0.023 nan 8.250 nan 0.000 0.466 1157 F N 1.452 121.330 119.950 -0.119 0.000 2.550 1157 F HA 0.354 4.886 4.527 0.008 0.000 0.348 1157 F C -2.437 173.317 175.800 -0.076 0.000 1.219 1157 F CA -2.565 55.384 58.000 -0.084 0.000 1.203 1157 F CB 1.234 40.176 39.000 -0.097 0.000 1.436 1157 F HN -0.160 nan 8.300 nan 0.000 0.541 1158 P HA 0.099 nan 4.420 nan 0.000 0.269 1158 P C 0.031 177.334 177.300 0.006 0.000 1.215 1158 P CA -0.022 63.076 63.100 -0.003 0.000 0.780 1158 P CB 0.543 32.222 31.700 -0.036 0.000 0.898 1159 K N -1.321 119.063 120.400 -0.025 0.000 3.193 1159 K HA -0.187 4.137 4.320 0.007 0.000 0.294 1159 K C 0.134 176.720 176.600 -0.022 0.000 1.185 1159 K CA 0.949 57.213 56.287 -0.039 0.000 0.866 1159 K CB -1.292 31.179 32.500 -0.048 0.000 1.227 1159 K HN 0.574 nan 8.250 nan 0.000 0.467 1160 N N -0.131 118.573 118.700 0.007 0.000 2.831 1160 N HA 0.405 5.150 4.740 0.007 0.000 0.276 1160 N C 0.070 175.576 175.510 -0.005 0.000 1.416 1160 N CA -0.688 52.364 53.050 0.004 0.000 0.799 1160 N CB 1.008 39.515 38.487 0.033 0.000 1.554 1160 N HN 0.010 nan 8.380 nan 0.000 0.541 1161 L N 0.847 122.051 121.223 -0.032 0.000 3.762 1161 L HA -0.235 4.109 4.340 0.007 0.000 0.460 1161 L C 0.835 177.680 176.870 -0.042 0.000 1.255 1161 L CA -0.069 54.742 54.840 -0.049 0.000 0.783 1161 L CB -1.461 40.551 42.059 -0.077 0.000 1.600 1161 L HN 0.526 nan 8.230 nan 0.000 0.862 1162 N N -0.187 118.486 118.700 -0.044 0.000 2.309 1162 N HA -0.077 4.667 4.740 0.007 0.000 0.182 1162 N C 1.712 177.192 175.510 -0.050 0.000 1.018 1162 N CA 1.336 54.364 53.050 -0.037 0.000 0.876 1162 N CB 0.183 38.647 38.487 -0.038 0.000 0.972 1162 N HN 0.398 nan 8.380 nan 0.000 0.434 1163 V N 1.914 121.766 119.914 -0.103 0.000 2.392 1163 V HA -0.241 3.883 4.120 0.007 0.000 0.249 1163 V C 2.481 178.521 176.094 -0.090 0.000 1.059 1163 V CA 1.890 64.099 62.300 -0.153 0.000 1.051 1163 V CB -0.771 30.838 31.823 -0.357 0.000 0.658 1163 V HN 0.295 nan 8.190 nan 0.000 0.455 1164 A N -0.365 122.418 122.820 -0.061 0.000 1.930 1164 A HA -0.063 4.262 4.320 0.007 0.000 0.217 1164 A C 2.398 179.987 177.584 0.008 0.000 1.175 1164 A CA 1.909 53.937 52.037 -0.016 0.000 0.627 1164 A CB -0.647 18.353 19.000 0.000 0.000 0.815 1164 A HN 0.570 nan 8.150 nan 0.000 0.443 1165 A N -1.028 121.800 122.820 0.013 0.000 1.898 1165 A HA -0.048 4.277 4.320 0.007 0.000 0.216 1165 A C 2.289 179.900 177.584 0.045 0.000 1.181 1165 A CA 2.175 54.239 52.037 0.045 0.000 0.620 1165 A CB -1.190 17.848 19.000 0.062 0.000 0.819 1165 A HN 0.409 nan 8.150 nan 0.000 0.442 1166 T N 0.554 115.121 114.554 0.022 0.000 2.746 1166 T HA -0.102 4.252 4.350 0.007 0.000 0.267 1166 T C 1.804 176.499 174.700 -0.008 0.000 1.039 1166 T CA 1.517 63.622 62.100 0.007 0.000 1.142 1166 T CB -0.389 68.471 68.868 -0.015 0.000 0.866 1166 T HN 0.358 nan 8.240 nan 0.000 0.444 1167 L N 0.754 121.973 121.223 -0.007 0.000 2.083 1167 L HA -0.102 4.242 4.340 0.007 0.000 0.209 1167 L C 2.849 179.730 176.870 0.019 0.000 1.083 1167 L CA 0.972 55.815 54.840 0.004 0.000 0.752 1167 L CB -0.502 41.561 42.059 0.007 0.000 0.899 1167 L HN 0.230 nan 8.230 nan 0.000 0.433 1168 S N -0.026 115.688 115.700 0.025 0.000 2.368 1168 S HA -0.117 4.357 4.470 0.007 0.000 0.224 1168 S C 1.947 176.559 174.600 0.019 0.000 1.029 1168 S CA 1.173 59.393 58.200 0.033 0.000 0.988 1168 S CB -0.228 62.998 63.200 0.044 0.000 0.838 1168 S HN 0.277 nan 8.310 nan 0.000 0.462 1169 I N 1.699 122.268 120.570 -0.002 0.000 2.142 1169 I HA -0.229 3.945 4.170 0.007 0.000 0.240 1169 I C 2.736 178.811 176.117 -0.071 0.000 1.078 1169 I CA 1.204 62.473 61.300 -0.052 0.000 1.343 1169 I CB -0.520 37.427 38.000 -0.088 0.000 1.046 1169 I HN 0.271 nan 8.210 nan 0.000 0.405 1170 A N 0.619 123.402 122.820 -0.061 0.000 1.877 1170 A HA -0.230 4.094 4.320 0.007 0.000 0.216 1170 A C 2.477 180.136 177.584 0.125 0.000 1.186 1170 A CA 2.382 54.405 52.037 -0.024 0.000 0.620 1170 A CB -0.853 18.142 19.000 -0.007 0.000 0.822 1170 A HN 0.530 nan 8.150 nan 0.000 0.443 1171 S N -2.063 113.685 115.700 0.080 0.000 2.446 1171 S HA 0.333 4.807 4.470 0.007 0.000 0.225 1171 S C 1.572 176.223 174.600 0.086 0.000 1.016 1171 S CA 1.243 59.495 58.200 0.088 0.000 0.943 1171 S CB -0.401 62.839 63.200 0.067 0.000 0.786 1171 S HN 2.009 nan 8.310 nan 0.000 0.508 1172 G N 1.110 109.951 108.800 0.070 0.000 2.148 1172 G HA2 -0.196 3.768 3.960 0.007 0.000 0.254 1172 G HA3 -0.196 3.768 3.960 0.007 0.000 0.254 1172 G C -0.113 174.817 174.900 0.049 0.000 0.981 1172 G CA 0.424 45.558 45.100 0.058 0.000 0.670 1172 G HN 0.554 nan 8.290 nan 0.000 0.528 1173 K N 0.089 120.519 120.400 0.051 0.000 2.328 1173 K HA 0.470 4.795 4.320 0.007 0.000 0.246 1173 K C -1.055 175.575 176.600 0.051 0.000 0.955 1173 K CA -1.027 55.291 56.287 0.050 0.000 0.817 1173 K CB 1.629 34.162 32.500 0.056 0.000 1.208 1173 K HN 0.043 nan 8.250 nan 0.000 0.432 1174 D N 2.006 122.437 120.400 0.052 0.000 2.517 1174 D HA 0.100 4.744 4.640 0.007 0.000 0.220 1174 D C -0.242 176.097 176.300 0.066 0.000 1.158 1174 D CA -0.379 53.656 54.000 0.059 0.000 0.992 1174 D CB -0.126 40.709 40.800 0.059 0.000 1.058 1174 D HN 0.140 nan 8.370 nan 0.000 0.516 1175 V N 3.648 123.601 119.914 0.065 0.000 2.872 1175 V HA -0.161 3.964 4.120 0.007 0.000 0.302 1175 V C 1.233 177.378 176.094 0.084 0.000 1.166 1175 V CA 0.420 62.761 62.300 0.068 0.000 1.298 1175 V CB 0.092 31.952 31.823 0.061 0.000 0.894 1175 V HN 0.359 nan 8.190 nan 0.000 0.509 1176 K N 3.161 123.608 120.400 0.078 0.000 2.298 1176 K HA 0.518 4.842 4.320 0.007 0.000 0.280 1176 K C -0.749 175.915 176.600 0.108 0.000 1.032 1176 K CA -0.336 56.003 56.287 0.086 0.000 0.958 1176 K CB 1.290 33.825 32.500 0.059 0.000 0.978 1176 K HN 0.483 nan 8.250 nan 0.000 0.472 1177 V N 3.329 123.341 119.914 0.163 0.000 2.656 1177 V HA 0.461 4.585 4.120 0.007 0.000 0.307 1177 V C -0.777 175.451 176.094 0.223 0.000 1.051 1177 V CA -1.024 61.396 62.300 0.200 0.000 0.893 1177 V CB 1.786 33.768 31.823 0.264 0.000 0.999 1177 V HN 0.837 nan 8.190 nan 0.000 0.426 1178 R N 3.609 124.205 120.500 0.160 0.000 2.514 1178 R HA 0.789 5.134 4.340 0.007 0.000 0.296 1178 R C -1.827 174.533 176.300 0.100 0.000 1.012 1178 R CA -0.579 55.597 56.100 0.126 0.000 0.897 1178 R CB 1.593 31.924 30.300 0.053 0.000 1.184 1178 R HN 0.548 nan 8.270 nan 0.000 0.440 1179 L N 4.418 125.703 121.223 0.104 0.000 2.322 1179 L HA 0.696 5.040 4.340 0.007 0.000 0.281 1179 L C -0.937 175.876 176.870 -0.094 0.000 1.014 1179 L CA -0.719 54.102 54.840 -0.032 0.000 0.815 1179 L CB 2.090 44.056 42.059 -0.155 0.000 1.247 1179 L HN 0.702 nan 8.230 nan 0.000 0.421 1180 V N 2.522 122.369 119.914 -0.112 0.000 2.656 1180 V HA 0.974 5.099 4.120 0.007 0.000 0.307 1180 V C -0.287 175.736 176.094 -0.119 0.000 1.051 1180 V CA -0.467 61.769 62.300 -0.107 0.000 0.893 1180 V CB 1.373 33.171 31.823 -0.041 0.000 0.999 1180 V HN 1.035 nan 8.190 nan 0.000 0.426 1181 A N 3.252 126.002 122.820 -0.117 0.000 2.260 1181 A HA 0.841 5.165 4.320 0.007 0.000 0.314 1181 A C -0.566 177.109 177.584 0.151 0.000 1.257 1181 A CA -0.301 51.765 52.037 0.049 0.000 0.871 1181 A CB 0.442 19.503 19.000 0.103 0.000 1.166 1181 A HN 0.960 nan 8.150 nan 0.000 0.522 1182 D N 0.094 120.617 120.400 0.205 0.000 2.614 1182 D HA 0.295 4.939 4.640 0.007 0.000 0.264 1182 D C 0.916 177.409 176.300 0.323 0.000 1.092 1182 D CA -0.288 53.819 54.000 0.179 0.000 1.071 1182 D CB 0.949 41.802 40.800 0.089 0.000 1.443 1182 D HN 0.649 nan 8.370 nan 0.000 0.528 1183 E N -0.459 119.877 120.200 0.226 0.000 2.511 1183 E HA 0.057 4.411 4.350 0.007 0.000 0.196 1183 E C 0.833 177.546 176.600 0.187 0.000 1.066 1183 E CA -0.070 56.499 56.400 0.283 0.000 0.871 1183 E CB 0.301 30.083 29.700 0.137 0.000 0.863 1183 E HN 0.025 nan 8.360 nan 0.000 0.520 1184 V N 2.116 122.108 119.914 0.129 0.000 2.901 1184 V HA -0.102 4.023 4.120 0.007 0.000 0.307 1184 V C 0.708 176.836 176.094 0.056 0.000 1.084 1184 V CA 0.526 62.868 62.300 0.070 0.000 1.184 1184 V CB 1.077 32.924 31.823 0.040 0.000 0.941 1184 V HN 0.219 nan 8.190 nan 0.000 0.493 1185 E N 4.358 124.574 120.200 0.027 0.000 2.451 1185 E HA 0.200 4.554 4.350 0.007 0.000 0.194 1185 E C 0.016 176.607 176.600 -0.015 0.000 1.027 1185 E CA 0.037 56.440 56.400 0.005 0.000 0.914 1185 E CB 0.083 29.786 29.700 0.005 0.000 1.054 1185 E HN 0.887 nan 8.360 nan 0.000 0.461 1186 E N -0.116 120.073 120.200 -0.019 0.000 2.430 1186 E HA 0.267 4.622 4.350 0.007 0.000 0.279 1186 E C -0.741 175.817 176.600 -0.069 0.000 1.003 1186 E CA -0.836 55.540 56.400 -0.039 0.000 0.801 1186 E CB 0.395 30.076 29.700 -0.031 0.000 1.313 1186 E HN -0.272 nan 8.360 nan 0.000 0.459 1187 N N 1.249 119.884 118.700 -0.108 0.000 2.430 1187 N HA 0.343 5.088 4.740 0.007 0.000 0.265 1187 N C -0.348 174.937 175.510 -0.376 0.000 1.100 1187 N CA -0.065 52.846 53.050 -0.233 0.000 0.961 1187 N CB 0.594 38.948 38.487 -0.222 0.000 1.075 1187 N HN 0.385 nan 8.380 nan 0.000 0.478 1188 I N 3.130 123.483 120.570 -0.362 0.000 2.339 1188 I HA 0.185 4.359 4.170 0.007 0.000 0.290 1188 I C -0.139 175.765 176.117 -0.356 0.000 0.994 1188 I CA -0.646 60.486 61.300 -0.280 0.000 1.191 1188 I CB 0.854 38.785 38.000 -0.115 0.000 1.343 1188 I HN 0.257 nan 8.210 nan 0.000 0.458 1189 H N 5.498 124.570 119.070 0.004 0.000 2.489 1189 H HA 0.420 4.981 4.556 0.007 0.000 0.343 1189 H C -0.894 174.439 175.328 0.009 0.000 1.086 1189 H CA -0.553 55.498 56.048 0.005 0.000 1.198 1189 H CB 2.300 32.062 29.762 0.001 0.000 1.490 1189 H HN 0.576 nan 8.280 nan 0.000 0.504 1190 E N 3.994 124.271 120.200 0.128 0.000 2.210 1190 E HA 0.440 4.794 4.350 0.007 0.000 0.266 1190 E C -1.165 175.481 176.600 0.077 0.000 0.883 1190 E CA -0.692 55.756 56.400 0.080 0.000 0.761 1190 E CB 1.331 31.062 29.700 0.052 0.000 1.156 1190 E HN 0.512 nan 8.360 nan 0.000 0.412 1191 I N 4.635 125.245 120.570 0.065 0.000 2.465 1191 I HA 0.316 4.490 4.170 0.007 0.000 0.291 1191 I C -0.968 175.186 176.117 0.060 0.000 1.014 1191 I CA -1.072 60.264 61.300 0.060 0.000 1.093 1191 I CB 1.776 39.807 38.000 0.052 0.000 1.267 1191 I HN 0.449 nan 8.210 nan 0.000 0.431 1192 L N 8.375 129.635 121.223 0.062 0.000 2.333 1192 L HA 0.780 5.124 4.340 0.007 0.000 0.280 1192 L C -1.145 175.775 176.870 0.083 0.000 1.004 1192 L CA -0.385 54.493 54.840 0.064 0.000 0.820 1192 L CB 1.724 43.813 42.059 0.049 0.000 1.247 1192 L HN 0.357 nan 8.230 nan 0.000 0.416 1193 V N 5.424 125.408 119.914 0.115 0.000 2.686 1193 V HA 0.672 4.797 4.120 0.007 0.000 0.306 1193 V C -0.539 175.666 176.094 0.185 0.000 1.065 1193 V CA -0.685 61.722 62.300 0.178 0.000 0.894 1193 V CB 1.844 33.810 31.823 0.239 0.000 1.004 1193 V HN 0.857 nan 8.190 nan 0.000 0.424 1194 R N 2.144 122.712 120.500 0.113 0.000 2.673 1194 R HA 0.834 5.179 4.340 0.007 0.000 0.281 1194 R C -0.342 175.887 176.300 -0.119 0.000 0.991 1194 R CA 0.084 56.133 56.100 -0.085 0.000 0.896 1194 R CB 2.417 32.676 30.300 -0.069 0.000 1.201 1194 R HN 1.053 nan 8.270 nan 0.000 0.457 1195 G N 1.513 110.047 108.800 -0.443 0.000 2.428 1195 G HA2 0.082 4.046 3.960 0.007 0.000 0.304 1195 G HA3 0.082 4.046 3.960 0.007 0.000 0.304 1195 G C -0.652 174.023 174.900 -0.375 0.000 1.303 1195 G CA -0.635 44.312 45.100 -0.254 0.000 0.825 1195 G HN 0.547 nan 8.290 nan 0.000 0.484 1196 E N -0.450 119.680 120.200 -0.117 0.000 2.267 1196 E HA -0.055 4.300 4.350 0.007 0.000 0.197 1196 E C 1.905 178.457 176.600 -0.079 0.000 0.998 1196 E CA 1.961 58.314 56.400 -0.078 0.000 0.830 1196 E CB -0.271 29.435 29.700 0.010 0.000 0.751 1196 E HN 0.492 nan 8.360 nan 0.000 0.491 1197 F N -1.783 118.163 119.950 -0.006 0.000 2.456 1197 F HA 0.303 4.834 4.527 0.007 0.000 0.298 1197 F C 1.221 177.019 175.800 -0.003 0.000 1.104 1197 F CA 0.626 58.622 58.000 -0.007 0.000 1.435 1197 F CB -0.136 38.859 39.000 -0.009 0.000 1.078 1197 F HN -0.011 nan 8.300 nan 0.000 0.546 1198 G N 0.023 108.259 108.800 -0.939 0.000 2.217 1198 G HA2 0.120 4.084 3.960 0.007 0.000 0.173 1198 G HA3 0.120 4.084 3.960 0.007 0.000 0.173 1198 G C -1.421 172.993 174.900 -0.810 0.000 1.324 1198 G CA -0.422 44.330 45.100 -0.579 0.000 1.225 1198 G HN 0.375 nan 8.290 nan 0.000 0.494 1199 E N -0.567 119.454 120.200 -0.298 0.000 2.383 1199 E HA 0.682 5.036 4.350 0.007 0.000 0.275 1199 E C -0.749 175.946 176.600 0.157 0.000 0.918 1199 E CA -0.705 55.634 56.400 -0.101 0.000 0.764 1199 E CB 2.641 32.299 29.700 -0.071 0.000 1.252 1199 E HN 0.666 nan 8.360 nan 0.000 0.449 1200 M N 1.538 121.258 119.600 0.201 0.000 2.371 1200 M HA 0.370 4.854 4.480 0.007 0.000 0.287 1200 M C -2.009 174.358 176.300 0.112 0.000 1.149 1200 M CA -0.289 55.117 55.300 0.176 0.000 0.929 1200 M CB 2.179 34.909 32.600 0.217 0.000 1.683 1200 M HN 0.483 nan 8.290 nan 0.000 0.470 1201 E N 4.696 124.943 120.200 0.078 0.000 2.234 1201 E HA 0.637 4.992 4.350 0.007 0.000 0.266 1201 E C -1.494 175.137 176.600 0.051 0.000 0.877 1201 E CA -0.573 55.863 56.400 0.059 0.000 0.758 1201 E CB 2.840 32.566 29.700 0.045 0.000 1.170 1201 E HN 0.608 nan 8.360 nan 0.000 0.415 1202 I N 2.649 123.249 120.570 0.050 0.000 2.498 1202 I HA 0.464 4.638 4.170 0.007 0.000 0.290 1202 I C -0.581 175.565 176.117 0.047 0.000 1.032 1202 I CA -0.750 60.577 61.300 0.044 0.000 1.073 1202 I CB 1.846 39.872 38.000 0.042 0.000 1.251 1202 I HN 0.283 nan 8.210 nan 0.000 0.426 1203 R N 5.039 125.564 120.500 0.041 0.000 2.532 1203 R HA 0.719 5.063 4.340 0.007 0.000 0.297 1203 R C -1.594 174.728 176.300 0.037 0.000 0.984 1203 R CA -0.780 55.345 56.100 0.041 0.000 0.884 1203 R CB 2.803 33.120 30.300 0.028 0.000 1.182 1203 R HN 0.284 nan 8.270 nan 0.000 0.442 1204 V N 3.084 123.027 119.914 0.048 0.000 2.483 1204 V HA 0.430 4.554 4.120 0.007 0.000 0.297 1204 V C -0.259 175.837 176.094 0.004 0.000 1.027 1204 V CA -0.817 61.506 62.300 0.038 0.000 0.855 1204 V CB 1.811 33.679 31.823 0.076 0.000 0.995 1204 V HN 0.632 nan 8.190 nan 0.000 0.424 1205 R N 4.419 124.914 120.500 -0.008 0.000 2.239 1205 R HA 0.396 4.740 4.340 0.007 0.000 0.332 1205 R C -0.202 176.086 176.300 -0.019 0.000 0.988 1205 R CA -0.367 55.717 56.100 -0.027 0.000 0.859 1205 R CB 0.467 30.757 30.300 -0.016 0.000 1.148 1205 R HN 0.770 nan 8.270 nan 0.000 0.482 1206 N N 2.548 121.229 118.700 -0.032 0.000 2.418 1206 N HA 0.322 5.066 4.740 0.007 0.000 0.283 1206 N C -0.565 174.946 175.510 0.002 0.000 1.267 1206 N CA -0.237 52.808 53.050 -0.008 0.000 0.975 1206 N CB 0.865 39.352 38.487 0.000 0.000 1.167 1206 N HN 0.438 nan 8.380 nan 0.000 0.581 1207 R N 0.859 121.378 120.500 0.032 0.000 2.502 1207 R HA 0.373 4.718 4.340 0.007 0.000 0.300 1207 R C -2.426 173.892 176.300 0.029 0.000 0.984 1207 R CA -1.446 54.678 56.100 0.039 0.000 0.882 1207 R CB 2.256 32.607 30.300 0.085 0.000 1.180 1207 R HN 0.430 nan 8.270 nan 0.000 0.444 1208 P HA 0.043 nan 4.420 nan 0.000 0.271 1208 P C -0.426 176.825 177.300 -0.082 0.000 1.218 1208 P CA 0.013 63.089 63.100 -0.040 0.000 0.780 1208 P CB 0.869 32.539 31.700 -0.050 0.000 0.901 1209 M N 2.408 121.943 119.600 -0.108 0.000 2.233 1209 M HA 0.183 4.667 4.480 0.007 0.000 0.350 1209 M C 2.035 178.251 176.300 -0.139 0.000 1.176 1209 M CA -0.097 55.095 55.300 -0.181 0.000 1.150 1209 M CB 0.957 33.450 32.600 -0.178 0.000 1.530 1209 M HN 0.433 nan 8.290 nan 0.000 0.459 1210 R N 1.427 121.836 120.500 -0.151 0.000 2.081 1210 R HA -0.135 4.209 4.340 0.007 0.000 0.235 1210 R C 1.356 177.600 176.300 -0.093 0.000 1.131 1210 R CA 1.505 57.541 56.100 -0.108 0.000 0.960 1210 R CB 0.200 30.440 30.300 -0.100 0.000 0.856 1210 R HN 0.658 nan 8.270 nan 0.000 0.436 1211 E N 0.091 120.233 120.200 -0.098 0.000 2.268 1211 E HA -0.107 4.248 4.350 0.007 0.000 0.195 1211 E C -0.092 176.458 176.600 -0.083 0.000 0.995 1211 E CA 0.642 56.990 56.400 -0.087 0.000 0.836 1211 E CB -0.016 29.629 29.700 -0.092 0.000 0.763 1211 E HN 0.178 nan 8.360 nan 0.000 0.491 1212 N N -0.756 117.892 118.700 -0.087 0.000 2.793 1212 N HA 0.121 4.865 4.740 0.007 0.000 0.251 1212 N C -2.539 172.921 175.510 -0.083 0.000 1.308 1212 N CA -1.479 51.523 53.050 -0.081 0.000 0.781 1212 N CB 1.369 39.811 38.487 -0.075 0.000 1.439 1212 N HN -0.313 nan 8.380 nan 0.000 0.562 1213 P HA -0.091 nan 4.420 nan 0.000 0.220 1213 P C 0.528 177.779 177.300 -0.081 0.000 1.144 1213 P CA 1.239 64.288 63.100 -0.084 0.000 0.800 1213 P CB 0.360 32.005 31.700 -0.092 0.000 0.772 1214 K N -1.859 118.490 120.400 -0.084 0.000 2.418 1214 K HA 0.069 4.394 4.320 0.007 0.000 0.195 1214 K C 0.401 176.971 176.600 -0.049 0.000 1.035 1214 K CA 0.637 56.877 56.287 -0.078 0.000 1.003 1214 K CB -0.084 32.359 32.500 -0.094 0.000 0.793 1214 K HN 0.121 nan 8.250 nan 0.000 0.494 1215 T N 0.922 115.446 114.554 -0.049 0.000 2.829 1215 T HA 0.207 4.561 4.350 0.007 0.000 0.282 1215 T C -0.265 174.421 174.700 -0.022 0.000 0.990 1215 T CA -0.431 61.649 62.100 -0.033 0.000 1.028 1215 T CB 1.738 70.579 68.868 -0.045 0.000 0.951 1215 T HN -0.112 nan 8.240 nan 0.000 0.460 1216 S N 2.315 118.019 115.700 0.007 0.000 2.523 1216 S HA 0.174 4.649 4.470 0.007 0.000 0.275 1216 S C 0.896 175.520 174.600 0.041 0.000 1.281 1216 S CA -0.701 57.515 58.200 0.027 0.000 1.050 1216 S CB 0.326 63.559 63.200 0.054 0.000 0.937 1216 S HN 0.811 nan 8.310 nan 0.000 0.492 1217 Y N 2.865 123.088 120.300 -0.127 0.000 2.193 1217 Y HA -0.257 4.296 4.550 0.005 0.000 0.285 1217 Y C 1.971 177.733 175.900 -0.230 0.000 1.166 1217 Y CA 1.020 58.997 58.100 -0.206 0.000 1.181 1217 Y CB -0.032 38.324 38.460 -0.175 0.000 0.976 1217 Y HN 0.621 nan 8.280 nan 0.000 0.520 1218 L N 0.930 122.110 121.223 -0.073 0.000 2.079 1218 L HA -0.202 4.142 4.340 0.007 0.000 0.210 1218 L C 2.505 179.293 176.870 -0.138 0.000 1.081 1218 L CA 1.962 56.701 54.840 -0.169 0.000 0.752 1218 L CB -1.064 40.939 42.059 -0.094 0.000 0.896 1218 L HN 0.260 nan 8.230 nan 0.000 0.433 1219 A N -0.639 122.134 122.820 -0.077 0.000 1.940 1219 A HA -0.140 4.184 4.320 0.007 0.000 0.219 1219 A C 2.460 179.980 177.584 -0.106 0.000 1.176 1219 A CA 1.875 53.868 52.037 -0.073 0.000 0.631 1219 A CB -1.084 17.891 19.000 -0.041 0.000 0.814 1219 A HN 0.567 nan 8.150 nan 0.000 0.446 1220 A N -0.168 122.566 122.820 -0.143 0.000 1.873 1220 A HA -0.014 4.310 4.320 0.007 0.000 0.215 1220 A C 2.139 179.584 177.584 -0.232 0.000 1.186 1220 A CA 1.441 53.364 52.037 -0.190 0.000 0.616 1220 A CB -0.651 18.113 19.000 -0.395 0.000 0.823 1220 A HN 0.475 nan 8.150 nan 0.000 0.442 1221 L N 0.731 121.756 121.223 -0.330 0.000 2.127 1221 L HA -0.204 4.140 4.340 0.007 0.000 0.211 1221 L C 2.939 179.666 176.870 -0.238 0.000 1.089 1221 L CA 1.526 56.182 54.840 -0.307 0.000 0.757 1221 L CB -0.662 41.176 42.059 -0.367 0.000 0.899 1221 L HN 0.619 nan 8.230 nan 0.000 0.434 1222 S N -0.565 115.027 115.700 -0.181 0.000 2.419 1222 S HA -0.144 4.330 4.470 0.007 0.000 0.235 1222 S C 1.840 176.354 174.600 -0.145 0.000 1.019 1222 S CA 1.316 59.435 58.200 -0.135 0.000 0.982 1222 S CB -0.702 62.442 63.200 -0.092 0.000 0.789 1222 S HN 0.216 nan 8.310 nan 0.000 0.490 1223 V N 2.698 122.510 119.914 -0.169 0.000 2.591 1223 V HA -0.094 4.030 4.120 0.007 0.000 0.249 1223 V C 3.121 179.027 176.094 -0.312 0.000 1.053 1223 V CA 1.836 64.026 62.300 -0.183 0.000 1.068 1223 V CB -1.398 30.340 31.823 -0.141 0.000 0.689 1223 V HN 0.888 nan 8.190 nan 0.000 0.462 1224 T N -0.850 113.415 114.554 -0.481 0.000 2.915 1224 T HA -0.249 4.106 4.350 0.007 0.000 0.269 1224 T C 1.927 176.414 174.700 -0.354 0.000 1.071 1224 T CA 1.498 63.120 62.100 -0.795 0.000 1.132 1224 T CB -0.342 67.777 68.868 -1.247 0.000 0.878 1224 T HN 0.478 nan 8.240 nan 0.000 0.479 1225 R N 0.795 121.167 120.500 -0.214 0.000 2.075 1225 R HA 0.074 4.419 4.340 0.007 0.000 0.232 1225 R C 2.394 178.646 176.300 -0.079 0.000 1.126 1225 R CA 1.395 57.438 56.100 -0.095 0.000 0.963 1225 R CB -0.426 29.829 30.300 -0.076 0.000 0.858 1225 R HN 0.487 nan 8.270 nan 0.000 0.435 1226 I N 0.917 121.412 120.570 -0.125 0.000 2.252 1226 I HA -0.269 3.906 4.170 0.007 0.000 0.245 1226 I C 2.201 178.230 176.117 -0.148 0.000 1.102 1226 I CA 1.013 62.214 61.300 -0.165 0.000 1.385 1226 I CB -0.203 37.671 38.000 -0.211 0.000 1.064 1226 I HN 0.223 nan 8.210 nan 0.000 0.414 1227 L N 0.263 121.417 121.223 -0.115 0.000 2.017 1227 L HA -0.201 4.143 4.340 0.007 0.000 0.208 1227 L C 2.796 179.815 176.870 0.249 0.000 1.073 1227 L CA 1.498 56.349 54.840 0.017 0.000 0.745 1227 L CB -0.621 41.342 42.059 -0.159 0.000 0.894 1227 L HN 0.158 nan 8.230 nan 0.000 0.432 1228 R N 0.090 120.738 120.500 0.246 0.000 2.091 1228 R HA -0.161 4.183 4.340 0.007 0.000 0.238 1228 R C 2.075 178.479 176.300 0.173 0.000 1.136 1228 R CA 1.864 58.161 56.100 0.329 0.000 0.959 1228 R CB -0.510 29.956 30.300 0.277 0.000 0.856 1228 R HN 0.497 nan 8.270 nan 0.000 0.437 1229 N N 0.399 119.147 118.700 0.081 0.000 2.120 1229 N HA -0.147 4.597 4.740 0.007 0.000 0.188 1229 N C 1.790 177.319 175.510 0.032 0.000 1.024 1229 N CA 0.859 53.932 53.050 0.039 0.000 0.852 1229 N CB -0.080 38.405 38.487 -0.002 0.000 1.003 1229 N HN 0.120 nan 8.380 nan 0.000 0.424 1230 L N 1.060 122.289 121.223 0.010 0.000 2.083 1230 L HA -0.181 4.163 4.340 0.007 0.000 0.209 1230 L C 2.434 179.337 176.870 0.055 0.000 1.083 1230 L CA 1.198 56.046 54.840 0.013 0.000 0.752 1230 L CB -0.245 41.807 42.059 -0.013 0.000 0.899 1230 L HN 0.187 nan 8.230 nan 0.000 0.433 1231 K N -0.376 120.081 120.400 0.095 0.000 2.305 1231 K HA -0.022 4.302 4.320 0.007 0.000 0.199 1231 K C 0.339 176.948 176.600 0.016 0.000 1.047 1231 K CA 0.429 56.738 56.287 0.036 0.000 0.976 1231 K CB 0.446 32.944 32.500 -0.004 0.000 0.765 1231 K HN 0.127 nan 8.250 nan 0.000 0.474 1232 E N -0.633 119.594 120.200 0.045 0.000 2.248 1232 E HA 0.105 4.459 4.350 0.007 0.000 0.272 1232 E C 0.683 177.299 176.600 0.027 0.000 1.008 1232 E CA -0.140 56.280 56.400 0.033 0.000 0.856 1232 E CB 1.616 31.347 29.700 0.052 0.000 1.120 1232 E HN 0.285 nan 8.360 nan 0.000 0.397 1233 G N 1.528 110.340 108.800 0.020 0.000 2.403 1233 G HA2 -0.123 3.842 3.960 0.007 0.000 0.216 1233 G HA3 -0.123 3.842 3.960 0.007 0.000 0.216 1233 G C 0.469 175.384 174.900 0.024 0.000 1.154 1233 G CA 0.115 45.227 45.100 0.019 0.000 0.784 1233 G HN 0.307 nan 8.290 nan 0.000 0.538 1234 L N 1.931 123.170 121.223 0.026 0.000 2.278 1234 L HA 0.515 4.859 4.340 0.007 0.000 0.287 1234 L C -0.472 176.418 176.870 0.034 0.000 1.072 1234 L CA -0.570 54.287 54.840 0.028 0.000 0.819 1234 L CB 1.558 43.633 42.059 0.027 0.000 1.176 1234 L HN -0.121 nan 8.230 nan 0.000 0.435 1235 V N 6.549 126.484 119.914 0.034 0.000 2.350 1235 V HA 0.420 4.545 4.120 0.007 0.000 0.276 1235 V C 0.384 176.499 176.094 0.035 0.000 1.028 1235 V CA -0.598 61.724 62.300 0.037 0.000 0.860 1235 V CB 1.280 33.129 31.823 0.043 0.000 0.990 1235 V HN 0.600 nan 8.190 nan 0.000 0.453 1236 V N 0.000 119.934 119.914 0.033 0.000 2.409 1236 V HA 0.000 4.124 4.120 0.007 0.000 0.244 1236 V CA 0.000 62.317 62.300 0.029 0.000 1.235 1236 V CB 0.000 31.839 31.823 0.027 0.000 1.184 1236 V HN 0.000 nan 8.190 nan 0.000 0.556