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 3i4u_1_A DATA FIRST_RESID 948 DATA SEQUENCE GSPMETLITA MEQLYTLGAL DDEGLLTRLG RRMAEFPLEP MLCKMLIMSV DATA SEQUENCE HLGCSEEMLT IVSMLSVQNV FYRPKDKQAL ADQKKAKFHQ TEGDHLTLLA DATA SEQUENCE VYNSWKNNKF SNPWCYENFI QARSLRRAQD IRKQMLGIMD RHKLDVVSCG DATA SEQUENCE KSTVRVQKAI CSGFFRNAAK KDPQEGYRTL IDQQVVYIHP SSALFNRQPE DATA SEQUENCE WVVYHELVLT TKEYMREVTT IDPRWLVEFA PAFFKVLXXX XXXDHGL 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 948 G HA2 0.000 nan 3.960 nan 0.000 0.244 948 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 948 G C 0.000 174.906 174.900 0.011 0.000 0.946 948 G CA 0.000 45.107 45.100 0.012 0.000 0.502 949 S N -0.428 115.278 115.700 0.011 0.000 2.533 949 S HA 0.674 5.144 4.470 -0.000 0.000 0.271 949 S C -2.382 172.224 174.600 0.009 0.000 1.143 949 S CA -0.767 57.438 58.200 0.009 0.000 0.891 949 S CB 2.595 65.801 63.200 0.009 0.000 1.105 949 S HN -0.145 nan 8.310 nan 0.000 0.468 950 P HA -0.152 nan 4.420 nan 0.000 0.216 950 P C 1.616 178.921 177.300 0.008 0.000 1.157 950 P CA 1.518 64.623 63.100 0.008 0.000 0.880 950 P CB -0.006 31.699 31.700 0.007 0.000 0.791 951 M N -1.036 118.569 119.600 0.008 0.000 2.099 951 M HA -0.152 4.328 4.480 -0.000 0.000 0.262 951 M C 2.202 178.507 176.300 0.008 0.000 1.067 951 M CA 1.665 56.969 55.300 0.007 0.000 1.124 951 M CB -1.604 30.999 32.600 0.006 0.000 1.353 951 M HN 0.069 nan 8.290 nan 0.000 0.410 952 E N 0.095 120.301 120.200 0.009 0.000 2.058 952 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 952 E C 1.833 178.441 176.600 0.013 0.000 0.997 952 E CA 2.291 58.697 56.400 0.011 0.000 0.801 952 E CB 0.079 29.786 29.700 0.012 0.000 0.746 952 E HN 0.602 nan 8.360 nan 0.000 0.450 953 T N -0.599 113.963 114.554 0.012 0.000 2.951 953 T HA -0.131 4.219 4.350 -0.000 0.000 0.268 953 T C 1.885 176.592 174.700 0.012 0.000 1.073 953 T CA 0.852 62.959 62.100 0.012 0.000 1.134 953 T CB -0.153 68.722 68.868 0.011 0.000 0.884 953 T HN 0.113 nan 8.240 nan 0.000 0.479 954 L N 1.043 122.273 121.223 0.011 0.000 2.027 954 L HA 0.263 4.603 4.340 -0.000 0.000 0.206 954 L C 2.322 179.200 176.870 0.013 0.000 1.074 954 L CA 1.299 56.146 54.840 0.011 0.000 0.745 954 L CB -0.904 41.160 42.059 0.009 0.000 0.898 954 L HN 0.335 nan 8.230 nan 0.000 0.433 955 I N -0.916 119.662 120.570 0.013 0.000 2.179 955 I HA -0.316 3.854 4.170 -0.000 0.000 0.242 955 I C 2.216 178.346 176.117 0.021 0.000 1.088 955 I CA 1.722 63.031 61.300 0.014 0.000 1.357 955 I CB -0.729 37.278 38.000 0.010 0.000 1.051 955 I HN 0.248 nan 8.210 nan 0.000 0.409 956 T N 0.709 115.276 114.554 0.022 0.000 2.720 956 T HA -0.200 4.150 4.350 -0.000 0.000 0.268 956 T C 2.033 176.749 174.700 0.026 0.000 1.037 956 T CA 1.556 63.673 62.100 0.028 0.000 1.144 956 T CB -0.353 68.530 68.868 0.025 0.000 0.864 956 T HN 0.497 nan 8.240 nan 0.000 0.444 957 A N 1.132 123.963 122.820 0.017 0.000 1.930 957 A HA -0.001 4.319 4.320 -0.000 0.000 0.217 957 A C 2.341 179.938 177.584 0.022 0.000 1.175 957 A CA 1.338 53.381 52.037 0.010 0.000 0.627 957 A CB -0.630 18.373 19.000 0.006 0.000 0.815 957 A HN 0.448 nan 8.150 nan 0.000 0.443 958 M N -0.863 118.756 119.600 0.031 0.000 2.117 958 M HA -0.189 4.291 4.480 -0.000 0.000 0.262 958 M C 2.074 178.421 176.300 0.079 0.000 1.065 958 M CA 1.812 57.140 55.300 0.046 0.000 1.114 958 M CB -0.487 32.132 32.600 0.032 0.000 1.361 958 M HN 0.494 nan 8.290 nan 0.000 0.408 959 E N 0.031 120.276 120.200 0.075 0.000 2.077 959 E HA -0.275 4.075 4.350 -0.000 0.000 0.193 959 E C 2.015 178.706 176.600 0.152 0.000 0.989 959 E CA 1.336 57.807 56.400 0.119 0.000 0.800 959 E CB -0.216 29.542 29.700 0.097 0.000 0.746 959 E HN 0.514 nan 8.360 nan 0.000 0.452 960 Q N 0.853 120.700 119.800 0.079 0.000 2.061 960 Q HA -0.212 4.128 4.340 -0.000 0.000 0.204 960 Q C 2.296 178.309 176.000 0.022 0.000 0.984 960 Q CA 1.286 57.101 55.803 0.019 0.000 0.846 960 Q CB -0.094 28.616 28.738 -0.047 0.000 0.902 960 Q HN 0.301 nan 8.270 nan 0.000 0.421 961 L N -0.272 120.976 121.223 0.041 0.000 2.042 961 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 961 L C 2.509 179.427 176.870 0.081 0.000 1.076 961 L CA 1.739 56.605 54.840 0.043 0.000 0.749 961 L CB -0.773 41.316 42.059 0.050 0.000 0.893 961 L HN 0.407 nan 8.230 nan 0.000 0.432 962 Y N 1.421 121.737 120.300 0.028 0.000 2.097 962 Y HA -0.330 4.220 4.550 0.000 0.000 0.282 962 Y C 2.989 178.928 175.900 0.067 0.000 1.152 962 Y CA 2.341 60.467 58.100 0.043 0.000 1.136 962 Y CB -0.568 37.920 38.460 0.047 0.000 0.975 962 Y HN 0.321 nan 8.280 nan 0.000 0.498 963 T N -1.435 113.168 114.554 0.082 0.000 2.833 963 T HA -0.193 4.157 4.350 -0.000 0.000 0.269 963 T C 1.869 176.613 174.700 0.073 0.000 1.054 963 T CA 1.687 63.820 62.100 0.055 0.000 1.135 963 T CB -0.862 68.114 68.868 0.181 0.000 0.869 963 T HN 0.428 nan 8.240 nan 0.000 0.466 964 L N 0.565 121.816 121.223 0.047 0.000 2.395 964 L HA 0.273 4.613 4.340 -0.000 0.000 0.218 964 L C 2.229 179.098 176.870 -0.001 0.000 1.130 964 L CA 0.740 55.619 54.840 0.065 0.000 0.826 964 L CB -0.621 41.418 42.059 -0.034 0.000 0.941 964 L HN 0.664 nan 8.230 nan 0.000 0.451 965 G N -0.958 107.788 108.800 -0.090 0.000 2.141 965 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.231 965 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.231 965 G C 0.912 175.780 174.900 -0.054 0.000 0.984 965 G CA 0.350 45.383 45.100 -0.110 0.000 0.660 965 G HN 0.394 nan 8.290 nan 0.000 0.525 966 A N -0.815 121.988 122.820 -0.028 0.000 2.016 966 A HA 0.638 4.958 4.320 -0.000 0.000 0.217 966 A C 1.109 178.707 177.584 0.025 0.000 1.162 966 A CA 1.206 53.245 52.037 0.003 0.000 0.662 966 A CB 0.077 19.081 19.000 0.007 0.000 0.812 966 A HN 0.794 nan 8.150 nan 0.000 0.450 967 L N 0.707 121.958 121.223 0.046 0.000 2.362 967 L HA 0.394 4.734 4.340 -0.000 0.000 0.271 967 L C -0.667 176.287 176.870 0.140 0.000 1.002 967 L CA -1.180 53.723 54.840 0.105 0.000 0.818 967 L CB 1.936 44.093 42.059 0.163 0.000 1.298 967 L HN 0.355 nan 8.230 nan 0.000 0.420 968 D N -0.641 119.841 120.400 0.137 0.000 2.478 968 D HA 0.042 4.682 4.640 -0.000 0.000 0.274 968 D C 0.591 177.060 176.300 0.280 0.000 1.234 968 D CA -0.373 53.722 54.000 0.157 0.000 1.069 968 D CB 0.391 41.242 40.800 0.085 0.000 1.113 968 D HN 0.687 nan 8.370 nan 0.000 0.571 969 D N -1.452 119.090 120.400 0.237 0.000 2.218 969 D HA -0.189 4.451 4.640 -0.000 0.000 0.204 969 D C 0.949 177.288 176.300 0.065 0.000 0.976 969 D CA 1.050 55.157 54.000 0.179 0.000 0.853 969 D CB -0.287 40.589 40.800 0.126 0.000 0.939 969 D HN 0.549 nan 8.370 nan 0.000 0.481 970 E N -0.526 119.713 120.200 0.064 0.000 2.463 970 E HA 0.202 4.552 4.350 -0.000 0.000 0.193 970 E C 1.068 177.687 176.600 0.032 0.000 1.041 970 E CA 0.129 56.549 56.400 0.032 0.000 0.879 970 E CB 0.382 30.099 29.700 0.029 0.000 0.997 970 E HN 0.454 nan 8.360 nan 0.000 0.478 971 G N 1.616 110.450 108.800 0.056 0.000 2.153 971 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.252 971 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.252 971 G C 0.118 175.050 174.900 0.053 0.000 0.994 971 G CA 0.158 45.291 45.100 0.056 0.000 0.698 971 G HN 0.183 nan 8.290 nan 0.000 0.521 972 L N -0.205 121.051 121.223 0.054 0.000 2.379 972 L HA 0.554 4.894 4.340 -0.000 0.000 0.269 972 L C 1.280 178.178 176.870 0.046 0.000 1.084 972 L CA -1.148 53.717 54.840 0.042 0.000 0.802 972 L CB 1.162 43.241 42.059 0.033 0.000 1.175 972 L HN 0.027 nan 8.230 nan 0.000 0.448 973 L N 1.854 123.098 121.223 0.034 0.000 2.455 973 L HA 0.100 4.440 4.340 -0.000 0.000 0.272 973 L C 0.792 177.678 176.870 0.027 0.000 1.174 973 L CA -0.072 54.786 54.840 0.030 0.000 0.869 973 L CB 0.732 42.804 42.059 0.021 0.000 1.130 973 L HN 0.741 nan 8.230 nan 0.000 0.474 974 T N -0.109 114.461 114.554 0.025 0.000 2.810 974 T HA 0.180 4.530 4.350 -0.000 0.000 0.277 974 T C 1.136 175.849 174.700 0.021 0.000 0.973 974 T CA -0.629 61.483 62.100 0.021 0.000 0.949 974 T CB 1.118 69.994 68.868 0.013 0.000 1.075 974 T HN 0.607 nan 8.240 nan 0.000 0.537 975 R N -0.704 119.810 120.500 0.024 0.000 2.091 975 R HA -0.089 4.251 4.340 -0.000 0.000 0.238 975 R C 2.271 178.598 176.300 0.044 0.000 1.136 975 R CA 1.386 57.506 56.100 0.033 0.000 0.959 975 R CB -0.647 29.678 30.300 0.042 0.000 0.856 975 R HN 0.631 nan 8.270 nan 0.000 0.437 976 L N 0.309 121.560 121.223 0.046 0.000 2.017 976 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 976 L C 2.158 179.052 176.870 0.040 0.000 1.073 976 L CA 2.453 57.327 54.840 0.056 0.000 0.745 976 L CB -1.151 40.933 42.059 0.041 0.000 0.894 976 L HN 0.258 nan 8.230 nan 0.000 0.432 977 G N -0.733 108.082 108.800 0.026 0.000 2.440 977 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.218 977 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.218 977 G C 1.720 176.632 174.900 0.020 0.000 1.154 977 G CA 0.612 45.726 45.100 0.022 0.000 0.767 977 G HN 0.308 nan 8.290 nan 0.000 0.552 978 R N 0.225 120.732 120.500 0.013 0.000 2.081 978 R HA 0.007 4.347 4.340 -0.000 0.000 0.235 978 R C 2.758 179.042 176.300 -0.028 0.000 1.131 978 R CA 1.085 57.180 56.100 -0.009 0.000 0.960 978 R CB -0.417 29.878 30.300 -0.009 0.000 0.856 978 R HN 0.362 nan 8.270 nan 0.000 0.436 979 R N -0.062 120.442 120.500 0.007 0.000 2.066 979 R HA 0.015 4.355 4.340 -0.000 0.000 0.232 979 R C 2.469 178.856 176.300 0.145 0.000 1.131 979 R CA 1.402 57.525 56.100 0.037 0.000 0.955 979 R CB -0.265 30.084 30.300 0.083 0.000 0.851 979 R HN 0.137 nan 8.270 nan 0.000 0.432 980 M N 0.192 119.866 119.600 0.124 0.000 2.144 980 M HA -0.185 4.295 4.480 -0.000 0.000 0.260 980 M C 2.364 178.764 176.300 0.167 0.000 1.067 980 M CA 1.829 57.219 55.300 0.151 0.000 1.095 980 M CB -0.287 32.347 32.600 0.057 0.000 1.365 980 M HN 0.253 nan 8.290 nan 0.000 0.406 981 A N -0.380 122.481 122.820 0.068 0.000 2.121 981 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 981 A C 1.839 179.411 177.584 -0.019 0.000 1.154 981 A CA 1.173 53.225 52.037 0.024 0.000 0.679 981 A CB -0.399 18.597 19.000 -0.006 0.000 0.795 981 A HN 0.375 nan 8.150 nan 0.000 0.458 982 E N -0.942 119.206 120.200 -0.087 0.000 2.427 982 E HA 0.061 4.411 4.350 -0.000 0.000 0.196 982 E C -0.641 175.732 176.600 -0.378 0.000 1.028 982 E CA 0.226 56.447 56.400 -0.298 0.000 0.864 982 E CB -0.087 29.241 29.700 -0.619 0.000 0.813 982 E HN 0.640 nan 8.360 nan 0.000 0.514 983 F N 1.417 121.356 119.950 -0.018 0.000 2.421 983 F HA 0.259 4.786 4.527 -0.000 0.000 0.337 983 F C -1.505 174.299 175.800 0.006 0.000 1.105 983 F CA -2.514 55.488 58.000 0.004 0.000 1.049 983 F CB 1.327 40.330 39.000 0.004 0.000 1.139 983 F HN -0.221 nan 8.300 nan 0.000 0.479 984 P HA 0.199 nan 4.420 nan 0.000 0.228 984 P C -0.795 176.569 177.300 0.107 0.000 1.764 984 P CA 0.466 63.628 63.100 0.103 0.000 0.929 984 P CB -0.081 31.662 31.700 0.071 0.000 1.675 985 L N -0.886 120.413 121.223 0.127 0.000 2.313 985 L HA 0.445 4.785 4.340 -0.000 0.000 0.268 985 L C 0.864 177.775 176.870 0.067 0.000 1.010 985 L CA -1.365 53.532 54.840 0.095 0.000 0.814 985 L CB 1.010 43.124 42.059 0.092 0.000 1.304 985 L HN -0.185 nan 8.230 nan 0.000 0.441 986 E N 1.184 121.419 120.200 0.058 0.000 2.398 986 E HA 0.046 4.396 4.350 -0.000 0.000 0.263 986 E C -1.738 174.851 176.600 -0.018 0.000 1.046 986 E CA -1.430 54.983 56.400 0.022 0.000 0.908 986 E CB 0.682 30.397 29.700 0.025 0.000 0.963 986 E HN 0.304 nan 8.360 nan 0.000 0.431 987 P HA -0.148 nan 4.420 nan 0.000 0.216 987 P C 1.419 178.618 177.300 -0.168 0.000 1.150 987 P CA 1.547 64.595 63.100 -0.087 0.000 0.843 987 P CB 0.119 31.765 31.700 -0.090 0.000 0.787 988 M N -1.764 117.653 119.600 -0.304 0.000 2.159 988 M HA -0.130 4.350 4.480 -0.000 0.000 0.263 988 M C 2.064 178.167 176.300 -0.328 0.000 1.063 988 M CA 1.670 56.621 55.300 -0.582 0.000 1.110 988 M CB -0.858 30.981 32.600 -1.269 0.000 1.374 988 M HN -0.049 nan 8.290 nan 0.000 0.411 989 L N -0.800 120.394 121.223 -0.048 0.000 2.056 989 L HA -0.231 4.109 4.340 -0.000 0.000 0.207 989 L C 2.606 179.468 176.870 -0.014 0.000 1.078 989 L CA 0.983 55.902 54.840 0.132 0.000 0.749 989 L CB -0.685 41.480 42.059 0.177 0.000 0.901 989 L HN 0.425 nan 8.230 nan 0.000 0.433 990 C N -0.203 119.064 119.300 -0.055 0.000 2.429 990 C HA -0.182 4.278 4.460 -0.000 0.000 0.277 990 C C 2.878 177.797 174.990 -0.118 0.000 1.262 990 C CA 0.977 59.934 59.018 -0.100 0.000 1.733 990 C CB -0.615 27.118 27.740 -0.013 0.000 2.010 990 C HN 0.446 nan 8.230 nan 0.000 0.483 991 K N 2.169 122.512 120.400 -0.095 0.000 2.009 991 K HA -0.179 4.141 4.320 -0.000 0.000 0.210 991 K C 2.068 178.619 176.600 -0.082 0.000 1.049 991 K CA 2.245 58.483 56.287 -0.082 0.000 0.929 991 K CB -0.650 31.789 32.500 -0.102 0.000 0.714 991 K HN 0.640 nan 8.250 nan 0.000 0.440 992 M N -0.551 119.009 119.600 -0.066 0.000 2.296 992 M HA -0.031 4.449 4.480 -0.000 0.000 0.265 992 M C 1.820 178.062 176.300 -0.097 0.000 1.064 992 M CA 1.441 56.708 55.300 -0.056 0.000 1.109 992 M CB -0.309 32.322 32.600 0.052 0.000 1.396 992 M HN 0.142 nan 8.290 nan 0.000 0.430 993 L N 1.440 122.577 121.223 -0.144 0.000 2.056 993 L HA -0.082 4.258 4.340 -0.000 0.000 0.207 993 L C 2.332 179.066 176.870 -0.227 0.000 1.078 993 L CA 1.625 56.324 54.840 -0.236 0.000 0.749 993 L CB -0.566 41.235 42.059 -0.429 0.000 0.901 993 L HN 0.340 nan 8.230 nan 0.000 0.433 994 I N -0.920 119.534 120.570 -0.193 0.000 2.252 994 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 994 I C 2.410 178.487 176.117 -0.067 0.000 1.102 994 I CA 1.133 62.363 61.300 -0.116 0.000 1.385 994 I CB -1.170 36.814 38.000 -0.027 0.000 1.064 994 I HN 0.298 nan 8.210 nan 0.000 0.414 995 M N 0.839 120.431 119.600 -0.014 0.000 2.213 995 M HA -0.134 4.346 4.480 -0.000 0.000 0.263 995 M C 2.553 178.840 176.300 -0.021 0.000 1.062 995 M CA 1.722 57.050 55.300 0.048 0.000 1.105 995 M CB -1.451 31.111 32.600 -0.064 0.000 1.385 995 M HN 0.417 nan 8.290 nan 0.000 0.417 996 S N -0.097 115.551 115.700 -0.088 0.000 2.419 996 S HA -0.071 4.399 4.470 -0.000 0.000 0.233 996 S C 1.951 176.497 174.600 -0.090 0.000 1.016 996 S CA 1.169 59.315 58.200 -0.090 0.000 0.974 996 S CB -0.997 62.145 63.200 -0.098 0.000 0.786 996 S HN 0.264 nan 8.310 nan 0.000 0.492 997 V N 2.387 122.214 119.914 -0.145 0.000 2.295 997 V HA -0.176 3.944 4.120 -0.000 0.000 0.246 997 V C 2.741 178.719 176.094 -0.194 0.000 1.049 997 V CA 2.054 64.234 62.300 -0.200 0.000 1.024 997 V CB -0.974 30.665 31.823 -0.307 0.000 0.648 997 V HN 0.629 nan 8.190 nan 0.000 0.447 998 H N -0.458 118.603 119.070 -0.015 0.000 2.423 998 H HA 0.063 4.619 4.556 0.000 0.000 0.297 998 H C 2.043 177.367 175.328 -0.006 0.000 1.075 998 H CA 1.191 57.237 56.048 -0.003 0.000 1.342 998 H CB -0.016 29.750 29.762 0.008 0.000 1.395 998 H HN 0.344 nan 8.280 nan 0.000 0.530 999 L N -0.187 121.083 121.223 0.078 0.000 2.592 999 L HA 0.158 4.498 4.340 -0.000 0.000 0.227 999 L C 1.009 177.877 176.870 -0.003 0.000 1.127 999 L CA 0.333 55.190 54.840 0.028 0.000 0.884 999 L CB 0.184 42.232 42.059 -0.018 0.000 1.065 999 L HN 0.295 nan 8.230 nan 0.000 0.457 1000 G N 0.987 109.782 108.800 -0.009 0.000 2.272 1000 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.280 1000 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.280 1000 G C 0.331 175.218 174.900 -0.021 0.000 1.067 1000 G CA 0.233 45.325 45.100 -0.014 0.000 0.902 1000 G HN 0.579 nan 8.290 nan 0.000 0.500 1001 C N -1.789 117.491 119.300 -0.034 0.000 3.543 1001 C HA 0.672 5.132 4.460 -0.000 0.000 0.281 1001 C C 2.046 177.011 174.990 -0.041 0.000 2.362 1001 C CA 0.656 59.655 59.018 -0.033 0.000 1.649 1001 C CB -0.435 27.281 27.740 -0.040 0.000 3.429 1001 C HN 0.984 nan 8.230 nan 0.000 0.407 1002 S N 0.688 116.361 115.700 -0.045 0.000 2.447 1002 S HA -0.184 4.286 4.470 -0.000 0.000 0.233 1002 S C 1.549 176.126 174.600 -0.038 0.000 1.006 1002 S CA 1.710 59.878 58.200 -0.054 0.000 0.957 1002 S CB -0.218 62.947 63.200 -0.057 0.000 0.773 1002 S HN 0.708 nan 8.310 nan 0.000 0.507 1003 E N 1.769 121.957 120.200 -0.021 0.000 2.051 1003 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 1003 E C 1.867 178.458 176.600 -0.016 0.000 0.991 1003 E CA 1.468 57.864 56.400 -0.008 0.000 0.799 1003 E CB -0.275 29.430 29.700 0.008 0.000 0.748 1003 E HN 0.564 nan 8.360 nan 0.000 0.449 1004 E N -0.549 119.643 120.200 -0.014 0.000 2.072 1004 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 1004 E C 1.786 178.363 176.600 -0.039 0.000 0.985 1004 E CA 1.177 57.569 56.400 -0.014 0.000 0.801 1004 E CB -0.221 29.480 29.700 0.001 0.000 0.750 1004 E HN 0.226 nan 8.360 nan 0.000 0.452 1005 M N -0.036 119.534 119.600 -0.049 0.000 2.175 1005 M HA -0.017 4.463 4.480 -0.000 0.000 0.264 1005 M C 1.681 177.932 176.300 -0.081 0.000 1.063 1005 M CA 1.290 56.553 55.300 -0.063 0.000 1.119 1005 M CB -0.186 32.367 32.600 -0.077 0.000 1.377 1005 M HN 0.102 nan 8.290 nan 0.000 0.415 1006 L N -1.111 120.062 121.223 -0.083 0.000 2.042 1006 L HA -0.278 4.062 4.340 -0.000 0.000 0.210 1006 L C 2.151 178.943 176.870 -0.129 0.000 1.076 1006 L CA 1.778 56.567 54.840 -0.086 0.000 0.749 1006 L CB -1.116 40.912 42.059 -0.052 0.000 0.893 1006 L HN 0.314 nan 8.230 nan 0.000 0.432 1007 T N -0.141 114.312 114.554 -0.168 0.000 2.737 1007 T HA -0.129 4.221 4.350 -0.000 0.000 0.265 1007 T C 1.889 176.456 174.700 -0.223 0.000 1.038 1007 T CA 1.316 63.230 62.100 -0.310 0.000 1.144 1007 T CB -0.180 68.507 68.868 -0.301 0.000 0.866 1007 T HN 0.170 nan 8.240 nan 0.000 0.434 1008 I N 0.726 121.223 120.570 -0.122 0.000 2.179 1008 I HA -0.158 4.012 4.170 -0.000 0.000 0.242 1008 I C 2.480 178.539 176.117 -0.098 0.000 1.088 1008 I CA 0.916 62.167 61.300 -0.082 0.000 1.357 1008 I CB -0.395 37.595 38.000 -0.015 0.000 1.051 1008 I HN 0.069 nan 8.210 nan 0.000 0.409 1009 V N 0.187 120.052 119.914 -0.080 0.000 2.392 1009 V HA -0.289 3.831 4.120 -0.000 0.000 0.249 1009 V C 2.489 178.541 176.094 -0.071 0.000 1.059 1009 V CA 2.268 64.531 62.300 -0.061 0.000 1.051 1009 V CB -0.473 31.318 31.823 -0.054 0.000 0.658 1009 V HN 0.405 nan 8.190 nan 0.000 0.455 1010 S N -0.752 114.891 115.700 -0.095 0.000 2.368 1010 S HA -0.127 4.343 4.470 -0.000 0.000 0.224 1010 S C 1.952 176.496 174.600 -0.093 0.000 1.029 1010 S CA 1.324 59.473 58.200 -0.085 0.000 0.988 1010 S CB -0.279 62.851 63.200 -0.116 0.000 0.838 1010 S HN 0.376 nan 8.310 nan 0.000 0.462 1011 M N 1.057 120.580 119.600 -0.127 0.000 2.213 1011 M HA 0.070 4.550 4.480 -0.000 0.000 0.263 1011 M C 1.872 178.087 176.300 -0.142 0.000 1.062 1011 M CA 1.154 56.384 55.300 -0.118 0.000 1.105 1011 M CB -1.289 31.244 32.600 -0.112 0.000 1.385 1011 M HN 0.291 nan 8.290 nan 0.000 0.417 1012 L N -0.843 120.273 121.223 -0.177 0.000 2.376 1012 L HA -0.093 4.247 4.340 -0.000 0.000 0.219 1012 L C 1.949 178.738 176.870 -0.136 0.000 1.133 1012 L CA 0.474 55.162 54.840 -0.254 0.000 0.816 1012 L CB -0.376 41.450 42.059 -0.387 0.000 0.933 1012 L HN 0.187 nan 8.230 nan 0.000 0.449 1013 S N -0.946 114.711 115.700 -0.072 0.000 2.593 1013 S HA 0.086 4.556 4.470 -0.000 0.000 0.217 1013 S C 0.450 175.038 174.600 -0.020 0.000 0.966 1013 S CA -0.097 58.092 58.200 -0.018 0.000 0.914 1013 S CB 0.055 63.255 63.200 0.001 0.000 0.776 1013 S HN 0.260 nan 8.310 nan 0.000 0.523 1014 V N -1.304 118.583 119.914 -0.045 0.000 3.096 1014 V HA 0.548 4.668 4.120 -0.000 0.000 0.319 1014 V C 0.409 176.474 176.094 -0.048 0.000 1.103 1014 V CA -0.899 61.375 62.300 -0.044 0.000 1.016 1014 V CB 1.332 33.120 31.823 -0.058 0.000 1.090 1014 V HN -0.125 nan 8.190 nan 0.000 0.449 1015 Q N 0.940 120.716 119.800 -0.041 0.000 1.786 1015 Q HA 0.266 4.606 4.340 -0.000 0.000 0.353 1015 Q C 0.058 176.037 176.000 -0.035 0.000 0.943 1015 Q CA 0.756 56.541 55.803 -0.031 0.000 0.879 1015 Q CB -0.359 28.367 28.738 -0.019 0.000 1.049 1015 Q HN 0.863 nan 8.270 nan 0.000 0.435 1016 N N 1.719 120.402 118.700 -0.029 0.000 2.469 1016 N HA 0.120 4.860 4.740 -0.000 0.000 0.239 1016 N C 0.717 176.198 175.510 -0.048 0.000 1.053 1016 N CA 0.033 53.078 53.050 -0.008 0.000 0.937 1016 N CB 1.931 40.428 38.487 0.018 0.000 1.163 1016 N HN -0.007 nan 8.380 nan 0.000 0.509 1017 V N 1.632 121.485 119.914 -0.102 0.000 2.379 1017 V HA 0.068 4.188 4.120 -0.000 0.000 0.243 1017 V C 0.412 176.285 176.094 -0.368 0.000 1.035 1017 V CA 1.231 63.345 62.300 -0.311 0.000 1.035 1017 V CB -0.217 31.307 31.823 -0.500 0.000 0.673 1017 V HN 0.409 nan 8.190 nan 0.000 0.457 1018 F N 0.107 120.046 119.950 -0.018 0.000 2.397 1018 F HA 0.551 5.078 4.527 -0.000 0.000 0.331 1018 F C -0.110 175.740 175.800 0.084 0.000 1.090 1018 F CA -1.157 56.834 58.000 -0.013 0.000 1.065 1018 F CB 0.676 39.644 39.000 -0.054 0.000 1.184 1018 F HN 0.180 nan 8.300 nan 0.000 0.499 1019 Y N -0.299 120.114 120.300 0.188 0.000 2.485 1019 Y HA 0.768 5.318 4.550 -0.000 0.000 0.345 1019 Y C -0.669 175.303 175.900 0.121 0.000 0.998 1019 Y CA -1.670 56.505 58.100 0.125 0.000 1.059 1019 Y CB 1.466 39.977 38.460 0.085 0.000 1.234 1019 Y HN 0.601 nan 8.280 nan 0.000 0.461 1020 R N 3.599 124.188 120.500 0.147 0.000 2.547 1020 R HA 0.454 4.794 4.340 -0.000 0.000 0.280 1020 R C -3.015 173.307 176.300 0.036 0.000 1.630 1020 R CA -1.790 54.289 56.100 -0.034 0.000 1.470 1020 R CB 0.698 30.954 30.300 -0.074 0.000 1.178 1020 R HN 0.576 nan 8.270 nan 0.000 0.591 1021 P HA -0.021 nan 4.420 nan 0.000 0.266 1021 P C 0.135 177.443 177.300 0.014 0.000 1.195 1021 P CA -0.137 63.031 63.100 0.113 0.000 0.768 1021 P CB 0.909 32.731 31.700 0.203 0.000 0.838 1022 K N 1.725 122.137 120.400 0.020 0.000 2.152 1022 K HA -0.188 4.132 4.320 -0.000 0.000 0.206 1022 K C 0.585 177.174 176.600 -0.017 0.000 1.048 1022 K CA 1.547 57.830 56.287 -0.006 0.000 0.933 1022 K CB -0.023 32.479 32.500 0.004 0.000 0.721 1022 K HN 0.395 nan 8.250 nan 0.000 0.447 1023 D N -0.013 120.388 120.400 0.002 0.000 2.348 1023 D HA 0.002 4.642 4.640 -0.000 0.000 0.211 1023 D C 0.241 176.530 176.300 -0.018 0.000 0.998 1023 D CA 0.770 54.770 54.000 0.000 0.000 0.873 1023 D CB 0.465 41.279 40.800 0.025 0.000 0.925 1023 D HN 0.158 nan 8.370 nan 0.000 0.524 1024 K N 0.487 120.859 120.400 -0.046 0.000 2.896 1024 K HA 0.225 4.545 4.320 -0.000 0.000 0.210 1024 K C 1.110 177.529 176.600 -0.301 0.000 1.116 1024 K CA -0.092 56.117 56.287 -0.130 0.000 1.050 1024 K CB 0.931 33.411 32.500 -0.034 0.000 0.812 1024 K HN -0.045 nan 8.250 nan 0.000 0.462 1025 Q N 0.443 120.120 119.800 -0.206 0.000 2.046 1025 Q HA -0.102 4.238 4.340 -0.000 0.000 0.200 1025 Q C 2.178 178.030 176.000 -0.245 0.000 0.975 1025 Q CA 1.686 57.355 55.803 -0.224 0.000 0.836 1025 Q CB -0.038 28.615 28.738 -0.142 0.000 0.896 1025 Q HN 0.441 nan 8.270 nan 0.000 0.428 1026 A N 0.740 123.448 122.820 -0.187 0.000 1.902 1026 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 1026 A C 2.023 179.483 177.584 -0.207 0.000 1.181 1026 A CA 1.089 53.028 52.037 -0.163 0.000 0.623 1026 A CB -0.547 18.388 19.000 -0.108 0.000 0.818 1026 A HN 0.327 nan 8.150 nan 0.000 0.443 1027 L N -0.377 120.696 121.223 -0.249 0.000 2.027 1027 L HA 0.008 4.348 4.340 -0.000 0.000 0.206 1027 L C 2.709 179.291 176.870 -0.481 0.000 1.074 1027 L CA 2.068 56.744 54.840 -0.273 0.000 0.745 1027 L CB -0.731 41.219 42.059 -0.181 0.000 0.898 1027 L HN 0.329 nan 8.230 nan 0.000 0.433 1028 A N -0.845 121.460 122.820 -0.858 0.000 1.902 1028 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 1028 A C 1.976 179.273 177.584 -0.479 0.000 1.181 1028 A CA 1.935 53.343 52.037 -1.048 0.000 0.623 1028 A CB -0.806 17.513 19.000 -1.135 0.000 0.818 1028 A HN 0.515 nan 8.150 nan 0.000 0.443 1029 D N -0.965 119.215 120.400 -0.368 0.000 2.144 1029 D HA -0.149 4.491 4.640 -0.000 0.000 0.200 1029 D C 2.063 178.214 176.300 -0.247 0.000 0.978 1029 D CA 1.398 55.237 54.000 -0.269 0.000 0.833 1029 D CB -0.352 40.326 40.800 -0.204 0.000 0.961 1029 D HN 0.703 nan 8.370 nan 0.000 0.470 1030 Q N 0.476 120.144 119.800 -0.220 0.000 2.050 1030 Q HA -0.161 4.179 4.340 -0.000 0.000 0.202 1030 Q C 1.623 177.514 176.000 -0.182 0.000 0.980 1030 Q CA 1.062 56.759 55.803 -0.177 0.000 0.840 1030 Q CB 0.228 28.884 28.738 -0.137 0.000 0.898 1030 Q HN -0.010 nan 8.270 nan 0.000 0.424 1031 K N 0.886 121.192 120.400 -0.157 0.000 2.097 1031 K HA -0.146 4.174 4.320 -0.000 0.000 0.205 1031 K C 1.965 178.537 176.600 -0.046 0.000 1.050 1031 K CA 1.271 57.503 56.287 -0.091 0.000 0.938 1031 K CB -0.234 32.294 32.500 0.047 0.000 0.718 1031 K HN 0.224 nan 8.250 nan 0.000 0.442 1032 K N 0.993 121.349 120.400 -0.073 0.000 2.025 1032 K HA -0.048 4.272 4.320 -0.000 0.000 0.207 1032 K C 2.011 178.393 176.600 -0.363 0.000 1.049 1032 K CA 1.224 57.464 56.287 -0.078 0.000 0.933 1032 K CB -0.125 32.127 32.500 -0.415 0.000 0.714 1032 K HN 0.048 nan 8.250 nan 0.000 0.438 1033 A N 1.194 123.652 122.820 -0.604 0.000 2.076 1033 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 1033 A C 1.948 179.315 177.584 -0.362 0.000 1.160 1033 A CA 1.642 53.205 52.037 -0.790 0.000 0.653 1033 A CB -0.429 18.337 19.000 -0.390 0.000 0.801 1033 A HN 0.386 nan 8.150 nan 0.000 0.455 1034 K N -1.407 118.802 120.400 -0.318 0.000 2.211 1034 K HA -0.076 4.244 4.320 -0.000 0.000 0.203 1034 K C 0.954 177.372 176.600 -0.303 0.000 1.050 1034 K CA 1.322 57.412 56.287 -0.329 0.000 0.945 1034 K CB -0.211 32.009 32.500 -0.466 0.000 0.732 1034 K HN 0.490 nan 8.250 nan 0.000 0.451 1035 F N -0.132 119.836 119.950 0.030 0.000 2.664 1035 F HA 0.082 4.609 4.527 -0.000 0.000 0.296 1035 F C 0.548 176.470 175.800 0.203 0.000 1.125 1035 F CA 0.052 58.142 58.000 0.150 0.000 1.444 1035 F CB -0.292 38.855 39.000 0.246 0.000 1.114 1035 F HN -0.042 nan 8.300 nan 0.000 0.576 1036 H N 2.051 121.236 119.070 0.192 0.000 3.070 1036 H HA 0.051 4.607 4.556 0.000 0.000 0.313 1036 H C 0.130 175.529 175.328 0.118 0.000 0.997 1036 H CA -0.412 55.713 56.048 0.128 0.000 1.438 1036 H CB 0.462 30.264 29.762 0.066 0.000 1.455 1036 H HN 0.004 nan 8.280 nan 0.000 0.575 1037 Q N 1.871 121.805 119.800 0.225 0.000 2.274 1037 Q HA 0.071 4.411 4.340 -0.000 0.000 0.260 1037 Q C 1.323 177.391 176.000 0.113 0.000 0.974 1037 Q CA -0.424 55.474 55.803 0.158 0.000 0.876 1037 Q CB 1.752 30.582 28.738 0.153 0.000 1.297 1037 Q HN 0.807 nan 8.270 nan 0.000 0.446 1038 T N -1.392 113.223 114.554 0.102 0.000 2.929 1038 T HA -0.138 4.212 4.350 -0.000 0.000 0.271 1038 T C 0.775 175.526 174.700 0.084 0.000 1.085 1038 T CA 1.384 63.535 62.100 0.084 0.000 1.125 1038 T CB 0.131 69.046 68.868 0.078 0.000 0.874 1038 T HN 0.438 nan 8.240 nan 0.000 0.494 1039 E N 1.027 121.286 120.200 0.098 0.000 2.481 1039 E HA 0.461 4.811 4.350 -0.000 0.000 0.195 1039 E C 1.230 177.895 176.600 0.108 0.000 1.047 1039 E CA 0.496 56.962 56.400 0.110 0.000 0.867 1039 E CB 0.136 29.910 29.700 0.124 0.000 0.858 1039 E HN 0.779 nan 8.360 nan 0.000 0.513 1040 G N 0.024 108.879 108.800 0.092 0.000 2.306 1040 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.262 1040 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.262 1040 G C -0.336 174.619 174.900 0.092 0.000 1.263 1040 G CA -0.178 44.972 45.100 0.083 0.000 1.088 1040 G HN 0.011 nan 8.290 nan 0.000 0.489 1041 D N -0.516 119.950 120.400 0.111 0.000 2.162 1041 D HA 0.034 4.674 4.640 -0.000 0.000 0.203 1041 D C 2.029 178.359 176.300 0.050 0.000 0.967 1041 D CA 1.575 55.609 54.000 0.057 0.000 0.840 1041 D CB -0.196 40.602 40.800 -0.004 0.000 0.972 1041 D HN 0.491 nan 8.370 nan 0.000 0.482 1042 H N 0.575 119.642 119.070 -0.005 0.000 2.353 1042 H HA 0.031 4.587 4.556 -0.000 0.000 0.300 1042 H C 2.184 177.521 175.328 0.015 0.000 1.090 1042 H CA 0.733 56.765 56.048 -0.027 0.000 1.327 1042 H CB -0.368 29.358 29.762 -0.060 0.000 1.383 1042 H HN 0.057 nan 8.280 nan 0.000 0.508 1043 L N -0.372 120.956 121.223 0.176 0.000 2.291 1043 L HA -0.111 4.229 4.340 -0.000 0.000 0.214 1043 L C 2.070 179.034 176.870 0.157 0.000 1.120 1043 L CA 1.042 55.966 54.840 0.140 0.000 0.799 1043 L CB -0.217 41.918 42.059 0.126 0.000 0.925 1043 L HN 0.310 nan 8.230 nan 0.000 0.446 1044 T N -0.008 114.646 114.554 0.167 0.000 2.857 1044 T HA -0.100 4.250 4.350 -0.000 0.000 0.266 1044 T C 1.950 176.782 174.700 0.220 0.000 1.048 1044 T CA 0.992 63.230 62.100 0.229 0.000 1.139 1044 T CB -0.104 68.906 68.868 0.237 0.000 0.874 1044 T HN 0.192 nan 8.240 nan 0.000 0.455 1045 L N 0.471 121.777 121.223 0.138 0.000 2.083 1045 L HA -0.050 4.290 4.340 -0.000 0.000 0.209 1045 L C 2.424 179.347 176.870 0.088 0.000 1.083 1045 L CA 0.768 55.654 54.840 0.076 0.000 0.752 1045 L CB -0.534 41.513 42.059 -0.020 0.000 0.899 1045 L HN 0.228 nan 8.230 nan 0.000 0.433 1046 L N 0.227 121.510 121.223 0.101 0.000 2.017 1046 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 1046 L C 2.651 179.632 176.870 0.186 0.000 1.073 1046 L CA 2.047 56.960 54.840 0.121 0.000 0.745 1046 L CB -0.651 41.466 42.059 0.097 0.000 0.894 1046 L HN 0.143 nan 8.230 nan 0.000 0.432 1047 A N -1.068 121.876 122.820 0.207 0.000 1.908 1047 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 1047 A C 2.265 180.032 177.584 0.305 0.000 1.181 1047 A CA 2.085 54.288 52.037 0.277 0.000 0.627 1047 A CB -1.182 18.023 19.000 0.342 0.000 0.818 1047 A HN 0.334 nan 8.150 nan 0.000 0.445 1048 V N -1.602 118.405 119.914 0.156 0.000 2.295 1048 V HA -0.298 3.822 4.120 -0.000 0.000 0.246 1048 V C 2.340 178.485 176.094 0.084 0.000 1.049 1048 V CA 2.224 64.444 62.300 -0.134 0.000 1.024 1048 V CB -0.997 30.619 31.823 -0.346 0.000 0.648 1048 V HN 0.713 nan 8.190 nan 0.000 0.447 1049 Y N 1.472 121.795 120.300 0.038 0.000 2.145 1049 Y HA -0.227 4.323 4.550 0.000 0.000 0.286 1049 Y C 2.570 178.576 175.900 0.175 0.000 1.145 1049 Y CA 2.063 60.252 58.100 0.149 0.000 1.148 1049 Y CB -0.203 38.330 38.460 0.121 0.000 0.981 1049 Y HN 0.288 nan 8.280 nan 0.000 0.507 1050 N N -0.333 118.546 118.700 0.298 0.000 2.166 1050 N HA -0.163 4.577 4.740 -0.000 0.000 0.186 1050 N C 1.948 177.448 175.510 -0.017 0.000 1.019 1050 N CA 1.601 54.739 53.050 0.145 0.000 0.856 1050 N CB -0.513 38.070 38.487 0.160 0.000 0.993 1050 N HN 0.294 nan 8.380 nan 0.000 0.426 1051 S N -0.038 115.706 115.700 0.074 0.000 2.368 1051 S HA -0.129 4.341 4.470 -0.000 0.000 0.224 1051 S C 1.578 175.881 174.600 -0.495 0.000 1.029 1051 S CA 0.698 58.904 58.200 0.011 0.000 0.988 1051 S CB -0.331 63.184 63.200 0.525 0.000 0.838 1051 S HN 0.550 nan 8.310 nan 0.000 0.462 1052 W N 3.053 123.910 121.300 -0.738 0.000 2.335 1052 W HA -0.153 4.508 4.660 0.000 0.000 0.311 1052 W C 2.228 178.111 176.519 -1.059 0.000 1.213 1052 W CA 1.711 58.416 57.345 -1.067 0.000 1.274 1052 W CB -0.507 28.645 29.460 -0.513 0.000 1.148 1052 W HN 0.154 nan 8.180 nan 0.000 0.498 1053 K N 0.063 119.815 120.400 -1.080 0.000 2.032 1053 K HA -0.242 4.078 4.320 -0.000 0.000 0.209 1053 K C 1.725 177.680 176.600 -1.074 0.000 1.048 1053 K CA 1.916 57.275 56.287 -1.548 0.000 0.927 1053 K CB -0.685 31.358 32.500 -0.763 0.000 0.712 1053 K HN 0.111 nan 8.250 nan 0.000 0.441 1054 N N 1.297 119.615 118.700 -0.636 0.000 2.381 1054 N HA -0.099 4.641 4.740 -0.000 0.000 0.182 1054 N C 0.584 175.811 175.510 -0.471 0.000 1.025 1054 N CA 0.767 53.558 53.050 -0.431 0.000 0.888 1054 N CB -0.206 38.135 38.487 -0.243 0.000 0.965 1054 N HN 0.316 nan 8.380 nan 0.000 0.438 1055 N N 1.394 119.678 118.700 -0.693 0.000 2.295 1055 N HA 0.032 4.772 4.740 -0.000 0.000 0.221 1055 N C -0.434 174.721 175.510 -0.592 0.000 1.129 1055 N CA 0.053 52.708 53.050 -0.659 0.000 0.836 1055 N CB 0.429 38.268 38.487 -1.080 0.000 1.040 1055 N HN 0.021 nan 8.380 nan 0.000 0.494 1056 K N 0.197 120.197 120.400 -0.667 0.000 3.192 1056 K HA -0.196 4.124 4.320 -0.000 0.000 0.278 1056 K C -0.381 175.974 176.600 -0.408 0.000 1.164 1056 K CA 0.313 56.313 56.287 -0.480 0.000 0.816 1056 K CB -2.602 29.775 32.500 -0.206 0.000 1.256 1056 K HN 0.353 nan 8.250 nan 0.000 0.497 1057 F N -0.968 118.513 119.950 -0.782 0.000 3.027 1057 F HA -0.250 4.277 4.527 -0.000 0.000 0.276 1057 F C 0.728 176.391 175.800 -0.227 0.000 0.967 1057 F CA 1.046 58.440 58.000 -1.010 0.000 0.929 1057 F CB -2.151 36.292 39.000 -0.928 0.000 0.873 1057 F HN 0.227 nan 8.300 nan 0.000 0.787 1058 S N 0.380 116.105 115.700 0.042 0.000 2.452 1058 S HA 0.388 4.858 4.470 -0.000 0.000 0.284 1058 S C 1.369 176.209 174.600 0.400 0.000 1.171 1058 S CA -0.646 57.680 58.200 0.210 0.000 1.064 1058 S CB 0.774 64.070 63.200 0.160 0.000 0.967 1058 S HN 0.302 nan 8.310 nan 0.000 0.484 1059 N N 6.195 125.079 118.700 0.308 0.000 2.069 1059 N HA -0.033 4.707 4.740 -0.000 0.000 0.191 1059 N C -1.151 174.515 175.510 0.261 0.000 1.031 1059 N CA 1.396 54.614 53.050 0.279 0.000 0.852 1059 N CB -1.566 37.028 38.487 0.178 0.000 1.018 1059 N HN 0.531 nan 8.380 nan 0.000 0.423 1060 P HA -0.140 nan 4.420 nan 0.000 0.216 1060 P C 1.275 178.733 177.300 0.264 0.000 1.150 1060 P CA 0.982 64.188 63.100 0.178 0.000 0.843 1060 P CB -0.179 31.594 31.700 0.120 0.000 0.787 1061 W N -0.343 121.038 121.300 0.136 0.000 2.358 1061 W HA -0.221 4.439 4.660 -0.000 0.000 0.303 1061 W C 2.036 178.653 176.519 0.164 0.000 1.208 1061 W CA 1.268 58.699 57.345 0.144 0.000 1.274 1061 W CB -0.941 28.601 29.460 0.138 0.000 1.138 1061 W HN -0.079 nan 8.180 nan 0.000 0.515 1062 C N -0.639 118.893 119.300 0.386 0.000 2.432 1062 C HA -0.225 4.235 4.460 -0.000 0.000 0.277 1062 C C 2.512 177.486 174.990 -0.026 0.000 1.249 1062 C CA 1.332 60.430 59.018 0.133 0.000 1.725 1062 C CB -1.788 26.108 27.740 0.260 0.000 2.028 1062 C HN 0.547 nan 8.230 nan 0.000 0.477 1063 Y N 1.912 122.185 120.300 -0.046 0.000 2.128 1063 Y HA -0.236 4.314 4.550 0.000 0.000 0.284 1063 Y C 2.438 178.121 175.900 -0.361 0.000 1.154 1063 Y CA 2.324 60.352 58.100 -0.121 0.000 1.149 1063 Y CB -0.366 38.055 38.460 -0.064 0.000 0.976 1063 Y HN 0.302 nan 8.280 nan 0.000 0.505 1064 E N 0.216 120.321 120.200 -0.158 0.000 2.110 1064 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 1064 E C 1.300 177.657 176.600 -0.405 0.000 0.988 1064 E CA 1.620 57.861 56.400 -0.266 0.000 0.804 1064 E CB -0.189 29.436 29.700 -0.125 0.000 0.745 1064 E HN 0.487 nan 8.360 nan 0.000 0.458 1065 N N -0.570 117.854 118.700 -0.460 0.000 2.230 1065 N HA 0.024 4.764 4.740 -0.000 0.000 0.202 1065 N C -0.593 174.878 175.510 -0.066 0.000 1.119 1065 N CA 0.124 53.013 53.050 -0.269 0.000 0.851 1065 N CB 0.400 38.572 38.487 -0.526 0.000 0.990 1065 N HN 0.104 nan 8.380 nan 0.000 0.497 1066 F N 0.343 120.024 119.950 -0.450 0.000 3.071 1066 F HA -0.216 4.311 4.527 0.000 0.000 0.295 1066 F C -0.169 175.274 175.800 -0.595 0.000 0.919 1066 F CA 0.196 57.692 58.000 -0.841 0.000 1.050 1066 F CB -1.986 36.545 39.000 -0.781 0.000 1.040 1066 F HN 0.015 nan 8.300 nan 0.000 0.692 1067 I N 0.622 121.091 120.570 -0.169 0.000 2.441 1067 I HA 0.238 4.408 4.170 -0.000 0.000 0.295 1067 I C 0.261 176.436 176.117 0.096 0.000 0.994 1067 I CA -0.960 60.273 61.300 -0.112 0.000 1.144 1067 I CB 1.372 39.202 38.000 -0.283 0.000 1.314 1067 I HN -0.065 nan 8.210 nan 0.000 0.445 1068 Q N 4.803 124.636 119.800 0.055 0.000 2.324 1068 Q HA 0.197 4.537 4.340 -0.000 0.000 0.257 1068 Q C 0.903 176.836 176.000 -0.111 0.000 1.080 1068 Q CA -0.118 55.692 55.803 0.011 0.000 0.907 1068 Q CB 1.413 30.137 28.738 -0.024 0.000 1.274 1068 Q HN 0.878 nan 8.270 nan 0.000 0.434 1069 A N 4.114 126.901 122.820 -0.054 0.000 1.940 1069 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 1069 A C 2.009 179.526 177.584 -0.112 0.000 1.176 1069 A CA 1.280 53.270 52.037 -0.079 0.000 0.631 1069 A CB -0.110 18.943 19.000 0.087 0.000 0.814 1069 A HN 0.657 nan 8.150 nan 0.000 0.446 1070 R N -0.332 120.129 120.500 -0.065 0.000 2.120 1070 R HA -0.079 4.261 4.340 -0.000 0.000 0.234 1070 R C 2.398 178.646 176.300 -0.086 0.000 1.123 1070 R CA 1.527 57.596 56.100 -0.052 0.000 0.975 1070 R CB -0.250 30.028 30.300 -0.037 0.000 0.866 1070 R HN 0.549 nan 8.270 nan 0.000 0.446 1071 S N 0.870 116.493 115.700 -0.129 0.000 2.387 1071 S HA -0.011 4.459 4.470 -0.000 0.000 0.226 1071 S C 1.901 176.384 174.600 -0.195 0.000 1.026 1071 S CA 0.750 58.867 58.200 -0.139 0.000 0.972 1071 S CB -0.023 63.090 63.200 -0.146 0.000 0.814 1071 S HN 0.224 nan 8.310 nan 0.000 0.477 1072 L N 0.890 121.893 121.223 -0.368 0.000 2.093 1072 L HA -0.025 4.315 4.340 -0.000 0.000 0.208 1072 L C 2.725 179.359 176.870 -0.393 0.000 1.085 1072 L CA 0.816 55.282 54.840 -0.622 0.000 0.755 1072 L CB -0.410 40.735 42.059 -1.524 0.000 0.904 1072 L HN 0.162 nan 8.230 nan 0.000 0.435 1073 R N 0.115 120.496 120.500 -0.197 0.000 2.081 1073 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 1073 R C 2.248 178.597 176.300 0.082 0.000 1.131 1073 R CA 1.166 57.320 56.100 0.090 0.000 0.960 1073 R CB -0.651 29.709 30.300 0.101 0.000 0.856 1073 R HN 0.344 nan 8.270 nan 0.000 0.436 1074 R N 0.430 120.940 120.500 0.018 0.000 2.075 1074 R HA -0.049 4.291 4.340 -0.000 0.000 0.232 1074 R C 2.073 178.400 176.300 0.046 0.000 1.126 1074 R CA 1.383 57.498 56.100 0.025 0.000 0.963 1074 R CB -0.165 30.133 30.300 -0.004 0.000 0.858 1074 R HN 0.193 nan 8.270 nan 0.000 0.435 1075 A N 0.774 123.621 122.820 0.044 0.000 1.908 1075 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 1075 A C 2.077 179.766 177.584 0.176 0.000 1.181 1075 A CA 1.613 53.697 52.037 0.078 0.000 0.627 1075 A CB -0.647 18.402 19.000 0.083 0.000 0.818 1075 A HN 0.552 nan 8.150 nan 0.000 0.445 1076 Q N -0.540 119.464 119.800 0.340 0.000 2.084 1076 Q HA -0.245 4.095 4.340 -0.000 0.000 0.202 1076 Q C 1.334 177.453 176.000 0.199 0.000 0.978 1076 Q CA 1.899 57.951 55.803 0.415 0.000 0.844 1076 Q CB -0.191 28.849 28.738 0.504 0.000 0.898 1076 Q HN 0.611 nan 8.270 nan 0.000 0.426 1077 D N 0.335 120.816 120.400 0.134 0.000 2.117 1077 D HA -0.153 4.487 4.640 -0.000 0.000 0.197 1077 D C 1.908 178.247 176.300 0.065 0.000 0.987 1077 D CA 1.156 55.203 54.000 0.079 0.000 0.829 1077 D CB -0.203 40.631 40.800 0.057 0.000 0.961 1077 D HN 0.362 nan 8.370 nan 0.000 0.460 1078 I N 0.470 121.076 120.570 0.061 0.000 2.226 1078 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 1078 I C 2.641 178.787 176.117 0.048 0.000 1.100 1078 I CA 0.798 62.127 61.300 0.048 0.000 1.374 1078 I CB -0.156 37.864 38.000 0.033 0.000 1.057 1078 I HN -0.082 nan 8.210 nan 0.000 0.413 1079 R N 1.270 121.794 120.500 0.039 0.000 2.091 1079 R HA -0.248 4.092 4.340 -0.000 0.000 0.238 1079 R C 2.365 178.696 176.300 0.052 0.000 1.136 1079 R CA 1.852 57.964 56.100 0.021 0.000 0.959 1079 R CB -0.179 30.110 30.300 -0.020 0.000 0.856 1079 R HN 0.249 nan 8.270 nan 0.000 0.437 1080 K N 0.343 120.782 120.400 0.065 0.000 2.057 1080 K HA -0.231 4.089 4.320 -0.000 0.000 0.207 1080 K C 2.170 178.799 176.600 0.050 0.000 1.049 1080 K CA 1.719 58.039 56.287 0.054 0.000 0.931 1080 K CB -0.075 32.452 32.500 0.046 0.000 0.714 1080 K HN 0.243 nan 8.250 nan 0.000 0.440 1081 Q N -0.233 119.599 119.800 0.052 0.000 2.050 1081 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 1081 Q C 2.052 178.101 176.000 0.081 0.000 0.980 1081 Q CA 1.571 57.405 55.803 0.052 0.000 0.840 1081 Q CB 0.035 28.803 28.738 0.050 0.000 0.898 1081 Q HN 0.304 nan 8.270 nan 0.000 0.424 1082 M N 0.283 119.955 119.600 0.120 0.000 2.117 1082 M HA -0.154 4.326 4.480 -0.000 0.000 0.262 1082 M C 2.245 178.679 176.300 0.224 0.000 1.065 1082 M CA 0.911 56.346 55.300 0.224 0.000 1.114 1082 M CB -1.196 31.515 32.600 0.184 0.000 1.361 1082 M HN 0.293 nan 8.290 nan 0.000 0.408 1083 L N 0.665 121.963 121.223 0.124 0.000 2.083 1083 L HA -0.024 4.316 4.340 -0.000 0.000 0.209 1083 L C 2.308 179.224 176.870 0.077 0.000 1.083 1083 L CA 2.084 56.982 54.840 0.097 0.000 0.752 1083 L CB -1.283 40.812 42.059 0.061 0.000 0.899 1083 L HN 0.312 nan 8.230 nan 0.000 0.433 1084 G N -0.302 108.529 108.800 0.051 0.000 2.422 1084 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.218 1084 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.218 1084 G C 1.596 176.487 174.900 -0.015 0.000 1.146 1084 G CA 1.188 46.294 45.100 0.011 0.000 0.769 1084 G HN 0.501 nan 8.290 nan 0.000 0.547 1085 I N 0.501 121.071 120.570 -0.000 0.000 2.286 1085 I HA -0.132 4.038 4.170 -0.000 0.000 0.245 1085 I C 2.875 179.014 176.117 0.037 0.000 1.104 1085 I CA 0.648 61.898 61.300 -0.083 0.000 1.397 1085 I CB -0.215 37.571 38.000 -0.356 0.000 1.072 1085 I HN 0.091 nan 8.210 nan 0.000 0.417 1086 M N 0.307 120.024 119.600 0.194 0.000 2.082 1086 M HA -0.236 4.244 4.480 -0.000 0.000 0.258 1086 M C 1.865 178.231 176.300 0.111 0.000 1.069 1086 M CA 1.902 57.347 55.300 0.242 0.000 1.102 1086 M CB -1.196 31.528 32.600 0.207 0.000 1.336 1086 M HN 0.220 nan 8.290 nan 0.000 0.404 1087 D N -0.413 120.015 120.400 0.047 0.000 2.117 1087 D HA -0.126 4.514 4.640 -0.000 0.000 0.198 1087 D C 2.043 178.309 176.300 -0.057 0.000 0.982 1087 D CA 0.962 54.962 54.000 0.001 0.000 0.828 1087 D CB -0.417 40.379 40.800 -0.007 0.000 0.967 1087 D HN 0.335 nan 8.370 nan 0.000 0.464 1088 R N 0.184 120.601 120.500 -0.139 0.000 2.103 1088 R HA -0.148 4.192 4.340 -0.000 0.000 0.242 1088 R C 1.092 177.165 176.300 -0.379 0.000 1.142 1088 R CA 1.305 57.216 56.100 -0.315 0.000 0.960 1088 R CB -0.068 29.925 30.300 -0.512 0.000 0.858 1088 R HN 0.340 nan 8.270 nan 0.000 0.439 1089 H N 0.324 119.377 119.070 -0.028 0.000 2.505 1089 H HA 0.166 4.722 4.556 0.000 0.000 0.289 1089 H C -0.145 175.188 175.328 0.008 0.000 1.052 1089 H CA 0.055 56.094 56.048 -0.015 0.000 1.156 1089 H CB 0.427 30.174 29.762 -0.027 0.000 1.507 1089 H HN 0.172 nan 8.280 nan 0.000 0.548 1090 K N 0.929 121.368 120.400 0.066 0.000 3.148 1090 K HA -0.173 4.147 4.320 -0.000 0.000 0.267 1090 K C -0.595 176.041 176.600 0.060 0.000 0.996 1090 K CA 0.189 56.505 56.287 0.048 0.000 0.737 1090 K CB -1.716 30.806 32.500 0.036 0.000 1.308 1090 K HN 0.300 nan 8.250 nan 0.000 0.470 1091 L N 1.754 123.026 121.223 0.082 0.000 2.255 1091 L HA 0.195 4.535 4.340 -0.000 0.000 0.289 1091 L C 0.375 177.263 176.870 0.029 0.000 1.046 1091 L CA -0.860 54.016 54.840 0.060 0.000 0.816 1091 L CB 0.664 42.796 42.059 0.122 0.000 1.197 1091 L HN 0.036 nan 8.230 nan 0.000 0.427 1092 D N 2.678 123.075 120.400 -0.005 0.000 2.488 1092 D HA 0.090 4.730 4.640 -0.000 0.000 0.238 1092 D C -0.217 176.076 176.300 -0.012 0.000 1.138 1092 D CA 0.248 54.243 54.000 -0.008 0.000 0.873 1092 D CB 1.598 42.387 40.800 -0.018 0.000 1.183 1092 D HN 0.043 nan 8.370 nan 0.000 0.458 1093 V N 3.550 123.464 119.914 0.000 0.000 2.313 1093 V HA 0.352 4.472 4.120 -0.000 0.000 0.278 1093 V C 0.270 176.363 176.094 -0.001 0.000 1.017 1093 V CA -0.607 61.692 62.300 -0.001 0.000 0.823 1093 V CB 1.152 32.983 31.823 0.013 0.000 1.010 1093 V HN 0.399 nan 8.190 nan 0.000 0.443 1094 V N 1.987 121.896 119.914 -0.008 0.000 3.040 1094 V HA 0.830 4.950 4.120 -0.000 0.000 0.312 1094 V C -0.254 175.839 176.094 -0.003 0.000 1.115 1094 V CA -0.657 61.641 62.300 -0.003 0.000 0.998 1094 V CB 2.150 33.970 31.823 -0.004 0.000 1.042 1094 V HN 0.623 nan 8.190 nan 0.000 0.433 1095 S N 0.400 116.102 115.700 0.004 0.000 2.578 1095 S HA 0.370 4.840 4.470 -0.000 0.000 0.283 1095 S C 1.021 175.625 174.600 0.006 0.000 1.195 1095 S CA -0.065 58.139 58.200 0.007 0.000 1.050 1095 S CB 1.169 64.379 63.200 0.016 0.000 1.012 1095 S HN 1.643 nan 8.310 nan 0.000 0.511 1096 C N 2.846 122.149 119.300 0.006 0.000 2.594 1096 C HA 0.556 5.016 4.460 -0.000 0.000 0.265 1096 C C 1.873 176.872 174.990 0.015 0.000 1.351 1096 C CA -0.069 58.953 59.018 0.006 0.000 1.744 1096 C CB -1.954 25.786 27.740 0.000 0.000 1.890 1096 C HN 1.280 nan 8.230 nan 0.000 0.551 1097 G N 2.845 111.657 108.800 0.020 0.000 2.596 1097 G HA2 -0.417 3.543 3.960 -0.000 0.000 0.304 1097 G HA3 -0.417 3.543 3.960 -0.000 0.000 0.304 1097 G C 0.836 175.755 174.900 0.031 0.000 1.189 1097 G CA 1.054 46.168 45.100 0.025 0.000 0.986 1097 G HN 0.825 nan 8.290 nan 0.000 0.548 1098 K N -0.068 120.351 120.400 0.031 0.000 2.400 1098 K HA 0.396 4.716 4.320 -0.000 0.000 0.194 1098 K C 1.132 177.755 176.600 0.038 0.000 1.033 1098 K CA 1.203 57.512 56.287 0.037 0.000 1.021 1098 K CB 0.264 32.785 32.500 0.035 0.000 0.808 1098 K HN 0.248 nan 8.250 nan 0.000 0.505 1099 S N 2.628 118.347 115.700 0.031 0.000 4.183 1099 S HA 0.005 4.475 4.470 -0.000 0.000 0.195 1099 S C 0.786 175.401 174.600 0.024 0.000 1.421 1099 S CA -0.051 58.166 58.200 0.029 0.000 0.920 1099 S CB 0.280 63.492 63.200 0.020 0.000 1.525 1099 S HN 0.471 nan 8.310 nan 0.000 0.447 1100 T N -2.286 112.291 114.554 0.037 0.000 3.113 1100 T HA -0.010 4.340 4.350 -0.000 0.000 0.263 1100 T C 1.675 176.392 174.700 0.028 0.000 1.143 1100 T CA 0.371 62.492 62.100 0.035 0.000 1.090 1100 T CB -0.226 68.676 68.868 0.057 0.000 0.922 1100 T HN 0.334 nan 8.240 nan 0.000 0.521 1101 V N 2.060 121.997 119.914 0.040 0.000 2.469 1101 V HA -0.202 3.918 4.120 -0.000 0.000 0.251 1101 V C 2.615 178.636 176.094 -0.121 0.000 1.064 1101 V CA 1.655 63.973 62.300 0.031 0.000 1.066 1101 V CB -0.559 31.322 31.823 0.096 0.000 0.667 1101 V HN 0.523 nan 8.190 nan 0.000 0.461 1102 R N -0.755 119.690 120.500 -0.091 0.000 2.115 1102 R HA -0.072 4.268 4.340 -0.000 0.000 0.230 1102 R C 2.138 178.350 176.300 -0.146 0.000 1.111 1102 R CA 1.486 57.510 56.100 -0.126 0.000 0.976 1102 R CB -0.574 29.688 30.300 -0.064 0.000 0.870 1102 R HN 0.507 nan 8.270 nan 0.000 0.445 1103 V N 1.635 121.492 119.914 -0.096 0.000 2.307 1103 V HA -0.245 3.875 4.120 -0.000 0.000 0.245 1103 V C 2.325 178.342 176.094 -0.127 0.000 1.045 1103 V CA 1.702 63.949 62.300 -0.088 0.000 1.024 1103 V CB -0.503 31.302 31.823 -0.029 0.000 0.651 1103 V HN 0.332 nan 8.190 nan 0.000 0.449 1104 Q N -0.099 119.635 119.800 -0.111 0.000 2.096 1104 Q HA -0.245 4.095 4.340 -0.000 0.000 0.204 1104 Q C 2.350 178.192 176.000 -0.263 0.000 0.982 1104 Q CA 1.656 57.411 55.803 -0.079 0.000 0.850 1104 Q CB -0.261 28.560 28.738 0.138 0.000 0.901 1104 Q HN 0.594 nan 8.270 nan 0.000 0.422 1105 K N 0.368 120.417 120.400 -0.586 0.000 2.057 1105 K HA -0.124 4.196 4.320 -0.000 0.000 0.207 1105 K C 2.168 178.403 176.600 -0.607 0.000 1.049 1105 K CA 1.146 57.004 56.287 -0.715 0.000 0.931 1105 K CB -0.207 31.899 32.500 -0.655 0.000 0.714 1105 K HN 0.155 nan 8.250 nan 0.000 0.440 1106 A N 1.559 124.125 122.820 -0.424 0.000 1.902 1106 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 1106 A C 2.138 179.567 177.584 -0.257 0.000 1.181 1106 A CA 1.334 53.155 52.037 -0.359 0.000 0.623 1106 A CB -0.622 18.253 19.000 -0.209 0.000 0.818 1106 A HN 0.178 nan 8.150 nan 0.000 0.443 1107 I N -0.900 119.559 120.570 -0.184 0.000 2.163 1107 I HA -0.326 3.844 4.170 -0.000 0.000 0.243 1107 I C 2.677 178.793 176.117 -0.002 0.000 1.085 1107 I CA 1.372 62.608 61.300 -0.107 0.000 1.347 1107 I CB -0.529 37.302 38.000 -0.282 0.000 1.044 1107 I HN 0.533 nan 8.210 nan 0.000 0.408 1108 C N 0.850 120.125 119.300 -0.042 0.000 2.425 1108 C HA -0.167 4.293 4.460 -0.000 0.000 0.277 1108 C C 3.407 178.457 174.990 0.099 0.000 1.280 1108 C CA 1.507 60.591 59.018 0.110 0.000 1.744 1108 C CB -1.158 26.746 27.740 0.273 0.000 1.989 1108 C HN 0.688 nan 8.230 nan 0.000 0.491 1109 S N -0.093 115.423 115.700 -0.306 0.000 2.442 1109 S HA 0.017 4.487 4.470 -0.000 0.000 0.236 1109 S C 1.796 176.449 174.600 0.088 0.000 1.007 1109 S CA 1.786 59.816 58.200 -0.284 0.000 0.965 1109 S CB -0.628 62.081 63.200 -0.818 0.000 0.773 1109 S HN 0.736 nan 8.310 nan 0.000 0.504 1110 G N -0.523 108.283 108.800 0.010 0.000 2.576 1110 G HA2 0.281 4.241 3.960 -0.000 0.000 0.210 1110 G HA3 0.281 4.241 3.960 -0.000 0.000 0.210 1110 G C 0.679 175.301 174.900 -0.463 0.000 1.143 1110 G CA -0.129 44.883 45.100 -0.146 0.000 0.819 1110 G HN 0.557 nan 8.290 nan 0.000 0.534 1111 F N 1.272 121.105 119.950 -0.195 0.000 2.735 1111 F HA 0.245 4.772 4.527 -0.000 0.000 0.304 1111 F C 1.566 177.225 175.800 -0.235 0.000 1.119 1111 F CA -1.177 56.661 58.000 -0.270 0.000 1.280 1111 F CB 0.155 39.056 39.000 -0.166 0.000 0.994 1111 F HN 0.181 nan 8.300 nan 0.000 0.520 1112 F N -0.167 119.826 119.950 0.072 0.000 2.192 1112 F HA -0.165 4.361 4.527 -0.000 0.000 0.301 1112 F C 2.258 178.184 175.800 0.209 0.000 1.079 1112 F CA 1.141 59.250 58.000 0.182 0.000 1.303 1112 F CB -0.926 38.245 39.000 0.284 0.000 1.024 1112 F HN -0.075 nan 8.300 nan 0.000 0.494 1113 R N 0.638 120.852 120.500 -0.476 0.000 2.152 1113 R HA -0.097 4.243 4.340 -0.000 0.000 0.232 1113 R C 0.467 176.724 176.300 -0.071 0.000 1.117 1113 R CA 1.277 57.226 56.100 -0.252 0.000 0.981 1113 R CB -0.350 29.642 30.300 -0.512 0.000 0.870 1113 R HN 0.245 nan 8.270 nan 0.000 0.451 1114 N N 0.337 118.917 118.700 -0.201 0.000 2.455 1114 N HA 0.134 4.874 4.740 -0.000 0.000 0.258 1114 N C -1.113 174.202 175.510 -0.325 0.000 1.158 1114 N CA 0.114 52.843 53.050 -0.536 0.000 0.893 1114 N CB 1.088 38.996 38.487 -0.965 0.000 1.173 1114 N HN 0.183 nan 8.380 nan 0.000 0.503 1115 A N 0.295 123.180 122.820 0.109 0.000 2.388 1115 A HA 0.741 5.061 4.320 -0.000 0.000 0.257 1115 A C 0.092 177.878 177.584 0.337 0.000 1.095 1115 A CA -0.385 51.830 52.037 0.297 0.000 0.791 1115 A CB 0.483 19.763 19.000 0.467 0.000 1.029 1115 A HN 0.256 nan 8.150 nan 0.000 0.489 1116 A N 2.185 125.208 122.820 0.339 0.000 2.422 1116 A HA 0.671 4.991 4.320 -0.000 0.000 0.302 1116 A C -0.426 177.208 177.584 0.084 0.000 1.041 1116 A CA -0.664 51.522 52.037 0.248 0.000 0.708 1116 A CB 1.144 20.312 19.000 0.279 0.000 1.257 1116 A HN 0.862 nan 8.150 nan 0.000 0.414 1117 K N 1.989 122.242 120.400 -0.246 0.000 2.182 1117 K HA 0.369 4.689 4.320 -0.000 0.000 0.262 1117 K C -0.312 176.006 176.600 -0.470 0.000 0.957 1117 K CA -0.596 55.240 56.287 -0.752 0.000 0.842 1117 K CB 1.135 32.833 32.500 -1.337 0.000 1.099 1117 K HN 0.707 nan 8.250 nan 0.000 0.438 1118 K N 2.871 122.857 120.400 -0.691 0.000 2.451 1118 K HA -0.085 4.235 4.320 -0.000 0.000 0.280 1118 K C -0.737 175.502 176.600 -0.602 0.000 1.020 1118 K CA 0.227 55.874 56.287 -1.067 0.000 1.008 1118 K CB 0.421 32.370 32.500 -0.918 0.000 0.917 1118 K HN 0.558 nan 8.250 nan 0.000 0.478 1119 D N 4.823 124.908 120.400 -0.525 0.000 2.264 1119 D HA 0.147 4.787 4.640 -0.000 0.000 0.250 1119 D C -1.715 174.435 176.300 -0.250 0.000 1.113 1119 D CA -2.001 51.814 54.000 -0.308 0.000 0.871 1119 D CB 1.410 42.066 40.800 -0.241 0.000 1.167 1119 D HN 0.275 nan 8.370 nan 0.000 0.447 1120 P HA -0.190 nan 4.420 nan 0.000 0.217 1120 P C 0.922 178.159 177.300 -0.106 0.000 1.151 1120 P CA 1.151 64.171 63.100 -0.133 0.000 0.849 1120 P CB 0.266 31.907 31.700 -0.097 0.000 0.787 1121 Q N -1.174 118.570 119.800 -0.093 0.000 2.200 1121 Q HA 0.115 4.455 4.340 -0.000 0.000 0.197 1121 Q C 0.729 176.703 176.000 -0.044 0.000 0.953 1121 Q CA 0.936 56.704 55.803 -0.059 0.000 0.851 1121 Q CB 0.361 29.074 28.738 -0.042 0.000 0.938 1121 Q HN 0.345 nan 8.270 nan 0.000 0.488 1122 E N -1.244 118.922 120.200 -0.056 0.000 2.311 1122 E HA 0.413 4.763 4.350 -0.000 0.000 0.281 1122 E C -0.369 176.169 176.600 -0.103 0.000 0.905 1122 E CA 0.198 56.600 56.400 0.004 0.000 0.778 1122 E CB 1.242 31.004 29.700 0.104 0.000 1.240 1122 E HN 0.275 nan 8.360 nan 0.000 0.410 1123 G N 2.590 111.344 108.800 -0.076 0.000 2.566 1123 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.280 1123 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.280 1123 G C -0.951 173.760 174.900 -0.314 0.000 1.225 1123 G CA 0.503 45.459 45.100 -0.241 0.000 0.966 1123 G HN 0.520 nan 8.290 nan 0.000 0.560 1124 Y N -0.117 119.951 120.300 -0.387 0.000 2.570 1124 Y HA 0.728 5.278 4.550 -0.000 0.000 0.345 1124 Y C 0.841 176.596 175.900 -0.241 0.000 1.014 1124 Y CA -0.956 56.991 58.100 -0.254 0.000 1.063 1124 Y CB 1.976 40.334 38.460 -0.171 0.000 1.272 1124 Y HN 0.518 nan 8.280 nan 0.000 0.477 1125 R N 1.033 121.509 120.500 -0.039 0.000 2.437 1125 R HA 0.344 4.684 4.340 -0.000 0.000 0.310 1125 R C -0.724 175.598 176.300 0.037 0.000 0.955 1125 R CA -0.745 55.334 56.100 -0.034 0.000 0.851 1125 R CB 1.639 31.899 30.300 -0.067 0.000 1.161 1125 R HN 0.780 nan 8.270 nan 0.000 0.446 1126 T N 0.128 114.728 114.554 0.077 0.000 2.926 1126 T HA 0.067 4.417 4.350 -0.000 0.000 0.307 1126 T C 1.274 176.046 174.700 0.120 0.000 1.059 1126 T CA -0.552 61.642 62.100 0.158 0.000 1.122 1126 T CB 0.715 69.697 68.868 0.190 0.000 0.972 1126 T HN 0.328 nan 8.240 nan 0.000 0.545 1127 L N 2.602 123.929 121.223 0.173 0.000 2.240 1127 L HA 0.229 4.569 4.340 -0.000 0.000 0.211 1127 L C 2.411 179.217 176.870 -0.106 0.000 1.106 1127 L CA 0.962 55.895 54.840 0.154 0.000 0.793 1127 L CB -0.667 41.628 42.059 0.393 0.000 0.927 1127 L HN 0.831 nan 8.230 nan 0.000 0.446 1128 I N 0.120 120.629 120.570 -0.102 0.000 2.315 1128 I HA -0.246 3.924 4.170 -0.000 0.000 0.248 1128 I C 0.667 176.707 176.117 -0.129 0.000 1.117 1128 I CA 1.869 63.020 61.300 -0.249 0.000 1.404 1128 I CB 0.162 38.160 38.000 -0.005 0.000 1.071 1128 I HN 0.497 nan 8.210 nan 0.000 0.419 1129 D N -1.792 118.599 120.400 -0.014 0.000 2.704 1129 D HA 0.012 4.652 4.640 -0.000 0.000 0.291 1129 D C 0.129 176.449 176.300 0.033 0.000 1.610 1129 D CA -0.241 53.775 54.000 0.026 0.000 0.807 1129 D CB -0.182 40.642 40.800 0.040 0.000 1.233 1129 D HN 0.102 nan 8.370 nan 0.000 0.445 1130 Q N -0.087 119.733 119.800 0.032 0.000 2.480 1130 Q HA -0.272 4.068 4.340 -0.000 0.000 0.265 1130 Q C -0.213 175.794 176.000 0.011 0.000 1.072 1130 Q CA 0.822 56.639 55.803 0.025 0.000 1.018 1130 Q CB -2.190 26.563 28.738 0.024 0.000 1.433 1130 Q HN 0.791 nan 8.270 nan 0.000 0.513 1131 Q N 0.218 120.029 119.800 0.018 0.000 2.313 1131 Q HA 0.309 4.649 4.340 -0.000 0.000 0.266 1131 Q C -0.263 175.716 176.000 -0.035 0.000 0.989 1131 Q CA -0.161 55.642 55.803 0.001 0.000 0.890 1131 Q CB 0.848 29.593 28.738 0.013 0.000 1.200 1131 Q HN 0.121 nan 8.270 nan 0.000 0.396 1132 V N 5.804 125.681 119.914 -0.061 0.000 2.470 1132 V HA 0.202 4.322 4.120 -0.000 0.000 0.276 1132 V C 0.187 176.156 176.094 -0.208 0.000 1.040 1132 V CA -0.080 62.132 62.300 -0.148 0.000 1.008 1132 V CB 0.255 32.005 31.823 -0.122 0.000 0.990 1132 V HN 0.613 nan 8.190 nan 0.000 0.477 1133 V N 3.252 122.969 119.914 -0.328 0.000 3.102 1133 V HA 0.771 4.891 4.120 -0.000 0.000 0.312 1133 V C -1.436 174.374 176.094 -0.474 0.000 1.135 1133 V CA -1.033 61.091 62.300 -0.293 0.000 1.022 1133 V CB 2.179 33.880 31.823 -0.203 0.000 1.056 1133 V HN 0.591 nan 8.190 nan 0.000 0.436 1134 Y N 0.435 120.712 120.300 -0.038 0.000 2.512 1134 Y HA 0.678 5.228 4.550 -0.000 0.000 0.348 1134 Y C 0.123 176.150 175.900 0.211 0.000 0.990 1134 Y CA -0.918 57.233 58.100 0.084 0.000 1.033 1134 Y CB 2.063 40.489 38.460 -0.058 0.000 1.259 1134 Y HN 0.595 nan 8.280 nan 0.000 0.461 1135 I N 3.280 124.089 120.570 0.399 0.000 2.471 1135 I HA 0.022 4.192 4.170 -0.000 0.000 0.286 1135 I C 0.564 176.998 176.117 0.528 0.000 1.079 1135 I CA -0.082 61.431 61.300 0.355 0.000 1.398 1135 I CB 0.206 38.360 38.000 0.257 0.000 1.403 1135 I HN 0.588 nan 8.210 nan 0.000 0.530 1136 H N 8.836 128.023 119.070 0.194 0.000 2.815 1136 H HA 0.056 4.612 4.556 -0.000 0.000 0.350 1136 H C -1.709 173.402 175.328 -0.361 0.000 1.080 1136 H CA -1.073 54.821 56.048 -0.257 0.000 1.433 1136 H CB 1.561 31.087 29.762 -0.394 0.000 1.432 1136 H HN 0.354 nan 8.280 nan 0.000 0.592 1137 P HA -0.178 nan 4.420 nan 0.000 0.218 1137 P C 1.379 178.253 177.300 -0.709 0.000 1.146 1137 P CA 1.875 64.049 63.100 -1.545 0.000 0.813 1137 P CB 0.129 31.093 31.700 -1.228 0.000 0.778 1138 S N -2.364 113.173 115.700 -0.272 0.000 2.489 1138 S HA 0.015 4.485 4.470 -0.000 0.000 0.228 1138 S C 1.194 175.759 174.600 -0.058 0.000 0.995 1138 S CA -0.055 58.100 58.200 -0.074 0.000 0.934 1138 S CB -0.992 62.235 63.200 0.045 0.000 0.771 1138 S HN 0.087 nan 8.310 nan 0.000 0.522 1139 S N 0.871 116.554 115.700 -0.028 0.000 2.568 1139 S HA 0.502 4.972 4.470 -0.000 0.000 0.282 1139 S C 1.327 175.824 174.600 -0.171 0.000 1.338 1139 S CA -0.038 58.137 58.200 -0.041 0.000 1.045 1139 S CB 0.749 63.983 63.200 0.056 0.000 0.873 1139 S HN 0.596 nan 8.310 nan 0.000 0.516 1140 A N 3.940 126.538 122.820 -0.370 0.000 2.121 1140 A HA 0.066 4.386 4.320 -0.000 0.000 0.218 1140 A C 1.570 179.014 177.584 -0.234 0.000 1.154 1140 A CA 0.862 52.476 52.037 -0.705 0.000 0.679 1140 A CB -0.392 18.285 19.000 -0.538 0.000 0.795 1140 A HN 0.709 nan 8.150 nan 0.000 0.458 1141 L N -2.275 118.912 121.223 -0.059 0.000 2.607 1141 L HA 0.291 4.631 4.340 -0.000 0.000 0.228 1141 L C 1.510 178.438 176.870 0.096 0.000 1.123 1141 L CA 0.305 55.164 54.840 0.032 0.000 0.890 1141 L CB -0.908 41.181 42.059 0.049 0.000 1.103 1141 L HN 0.521 nan 8.230 nan 0.000 0.468 1142 F N 0.449 120.385 119.950 -0.024 0.000 2.171 1142 F HA -0.233 4.294 4.527 -0.000 0.000 0.300 1142 F C 1.711 177.530 175.800 0.032 0.000 1.090 1142 F CA 1.769 59.779 58.000 0.016 0.000 1.293 1142 F CB 0.088 39.083 39.000 -0.009 0.000 1.013 1142 F HN 0.234 nan 8.300 nan 0.000 0.486 1143 N N -0.443 118.252 118.700 -0.008 0.000 2.280 1143 N HA 0.068 4.808 4.740 -0.000 0.000 0.192 1143 N C -0.329 175.150 175.510 -0.052 0.000 1.109 1143 N CA -0.079 52.921 53.050 -0.084 0.000 0.855 1143 N CB 0.167 38.674 38.487 0.034 0.000 0.974 1143 N HN 0.282 nan 8.380 nan 0.000 0.482 1144 R N 0.315 120.802 120.500 -0.021 0.000 2.638 1144 R HA 0.184 4.524 4.340 -0.000 0.000 0.269 1144 R C -1.137 175.182 176.300 0.031 0.000 1.393 1144 R CA -0.478 55.625 56.100 0.004 0.000 1.531 1144 R CB -0.293 30.023 30.300 0.026 0.000 1.327 1144 R HN 0.059 nan 8.270 nan 0.000 0.709 1145 Q N 2.864 122.680 119.800 0.027 0.000 2.263 1145 Q HA 0.159 4.499 4.340 -0.000 0.000 0.270 1145 Q C -1.869 174.212 176.000 0.133 0.000 1.104 1145 Q CA -1.303 54.574 55.803 0.123 0.000 0.909 1145 Q CB 0.780 29.608 28.738 0.151 0.000 1.214 1145 Q HN 0.348 nan 8.270 nan 0.000 0.400 1146 P HA 0.071 nan 4.420 nan 0.000 0.282 1146 P C 0.274 177.662 177.300 0.146 0.000 1.287 1146 P CA -0.255 62.926 63.100 0.136 0.000 0.792 1146 P CB 0.985 32.767 31.700 0.137 0.000 1.163 1147 E N -0.378 119.878 120.200 0.093 0.000 2.072 1147 E HA -0.067 4.283 4.350 -0.000 0.000 0.191 1147 E C -0.415 176.146 176.600 -0.066 0.000 0.985 1147 E CA 1.420 57.818 56.400 -0.003 0.000 0.801 1147 E CB -0.148 29.611 29.700 0.099 0.000 0.750 1147 E HN 0.411 nan 8.360 nan 0.000 0.452 1148 W N -0.471 120.885 121.300 0.094 0.000 2.883 1148 W HA 0.490 5.150 4.660 -0.000 0.000 0.335 1148 W C -1.066 175.515 176.519 0.104 0.000 1.083 1148 W CA -0.908 56.498 57.345 0.101 0.000 1.233 1148 W CB 1.721 31.171 29.460 -0.016 0.000 1.412 1148 W HN -0.152 nan 8.180 nan 0.000 0.490 1149 V N 0.532 120.656 119.914 0.350 0.000 3.078 1149 V HA 0.896 5.016 4.120 -0.000 0.000 0.311 1149 V C -0.718 175.515 176.094 0.232 0.000 1.138 1149 V CA -1.333 61.096 62.300 0.215 0.000 1.007 1149 V CB 1.114 32.969 31.823 0.054 0.000 1.045 1149 V HN 0.498 nan 8.190 nan 0.000 0.432 1150 V N 0.762 120.775 119.914 0.166 0.000 2.715 1150 V HA 0.853 4.973 4.120 -0.000 0.000 0.310 1150 V C -0.670 175.485 176.094 0.101 0.000 1.054 1150 V CA -0.697 61.661 62.300 0.098 0.000 0.928 1150 V CB 1.250 33.123 31.823 0.084 0.000 1.007 1150 V HN 1.458 nan 8.190 nan 0.000 0.437 1151 Y N 0.142 120.504 120.300 0.104 0.000 2.509 1151 Y HA 0.707 5.257 4.550 -0.000 0.000 0.341 1151 Y C 1.062 177.023 175.900 0.101 0.000 1.038 1151 Y CA -0.970 57.189 58.100 0.098 0.000 1.089 1151 Y CB 1.117 39.619 38.460 0.071 0.000 1.241 1151 Y HN 0.729 nan 8.280 nan 0.000 0.468 1152 H N 0.700 119.859 119.070 0.148 0.000 2.326 1152 H HA 0.063 4.619 4.556 0.000 0.000 0.301 1152 H C -0.283 175.201 175.328 0.260 0.000 1.081 1152 H CA 1.906 57.940 56.048 -0.022 0.000 1.334 1152 H CB 0.476 30.174 29.762 -0.106 0.000 1.385 1152 H HN 0.845 nan 8.280 nan 0.000 0.504 1153 E N -0.860 119.536 120.200 0.327 0.000 2.437 1153 E HA 0.304 4.654 4.350 -0.000 0.000 0.280 1153 E C -1.543 175.176 176.600 0.198 0.000 1.044 1153 E CA -0.907 55.648 56.400 0.258 0.000 0.826 1153 E CB 1.190 30.929 29.700 0.065 0.000 1.358 1153 E HN 0.118 nan 8.360 nan 0.000 0.459 1154 L N 1.392 122.671 121.223 0.093 0.000 2.309 1154 L HA 0.601 4.941 4.340 -0.000 0.000 0.282 1154 L C -0.910 175.972 176.870 0.020 0.000 1.036 1154 L CA -1.221 53.589 54.840 -0.049 0.000 0.806 1154 L CB 1.745 43.754 42.059 -0.084 0.000 1.220 1154 L HN 0.392 nan 8.230 nan 0.000 0.429 1155 V N 4.347 124.282 119.914 0.036 0.000 2.525 1155 V HA 0.272 4.392 4.120 -0.000 0.000 0.299 1155 V C -0.443 175.714 176.094 0.105 0.000 1.034 1155 V CA -0.576 61.761 62.300 0.062 0.000 0.863 1155 V CB 2.248 34.099 31.823 0.046 0.000 0.999 1155 V HN 0.445 nan 8.190 nan 0.000 0.423 1156 L N 6.333 127.603 121.223 0.078 0.000 2.261 1156 L HA 0.637 4.977 4.340 -0.000 0.000 0.289 1156 L C 0.808 177.741 176.870 0.105 0.000 1.059 1156 L CA 1.075 55.964 54.840 0.082 0.000 0.816 1156 L CB 0.988 43.073 42.059 0.044 0.000 1.191 1156 L HN 0.946 nan 8.230 nan 0.000 0.431 1157 T N -0.540 114.117 114.554 0.172 0.000 2.964 1157 T HA 0.137 4.487 4.350 -0.000 0.000 0.161 1157 T C 1.209 175.994 174.700 0.141 0.000 0.859 1157 T CA 0.645 62.842 62.100 0.162 0.000 1.015 1157 T CB -0.223 68.764 68.868 0.199 0.000 2.138 1157 T HN 0.373 nan 8.240 nan 0.000 0.367 1158 T N 1.832 116.521 114.554 0.225 0.000 2.896 1158 T HA 0.271 4.621 4.350 -0.000 0.000 0.263 1158 T C 0.728 175.423 174.700 -0.008 0.000 1.050 1158 T CA 0.830 63.009 62.100 0.132 0.000 1.140 1158 T CB -0.181 68.801 68.868 0.189 0.000 0.877 1158 T HN 0.379 nan 8.240 nan 0.000 0.457 1159 K N 0.561 120.881 120.400 -0.133 0.000 2.399 1159 K HA 0.478 4.798 4.320 -0.000 0.000 0.260 1159 K C -1.128 175.305 176.600 -0.279 0.000 1.049 1159 K CA -0.869 55.175 56.287 -0.404 0.000 0.890 1159 K CB 1.414 33.352 32.500 -0.937 0.000 1.430 1159 K HN -0.181 nan 8.250 nan 0.000 0.459 1160 E N 1.549 121.661 120.200 -0.148 0.000 1.858 1160 E HA 0.082 4.432 4.350 -0.000 0.000 0.267 1160 E C -1.542 175.025 176.600 -0.055 0.000 1.215 1160 E CA 0.117 56.490 56.400 -0.044 0.000 0.952 1160 E CB -0.133 29.565 29.700 -0.003 0.000 1.058 1160 E HN 0.219 nan 8.360 nan 0.000 0.407 1161 Y N 3.185 123.535 120.300 0.083 0.000 2.323 1161 Y HA 0.273 4.823 4.550 0.000 0.000 0.331 1161 Y C 0.633 176.503 175.900 -0.050 0.000 1.092 1161 Y CA -0.685 57.466 58.100 0.086 0.000 1.150 1161 Y CB 1.034 39.588 38.460 0.157 0.000 1.200 1161 Y HN 0.376 nan 8.280 nan 0.000 0.472 1162 M N 3.941 123.585 119.600 0.074 0.000 2.228 1162 M HA 0.263 4.743 4.480 -0.000 0.000 0.351 1162 M C -0.055 176.272 176.300 0.046 0.000 1.233 1162 M CA 0.324 55.553 55.300 -0.118 0.000 1.129 1162 M CB 0.652 33.138 32.600 -0.189 0.000 1.604 1162 M HN 0.528 nan 8.290 nan 0.000 0.457 1163 R N 2.744 123.278 120.500 0.057 0.000 2.393 1163 R HA 0.193 4.533 4.340 -0.000 0.000 0.315 1163 R C -1.050 175.314 176.300 0.107 0.000 0.952 1163 R CA -0.240 55.893 56.100 0.055 0.000 0.842 1163 R CB 0.912 31.234 30.300 0.036 0.000 1.163 1163 R HN 0.686 nan 8.270 nan 0.000 0.450 1164 E N 1.660 121.881 120.200 0.035 0.000 4.675 1164 E HA -0.137 4.213 4.350 -0.000 0.000 0.163 1164 E C -0.829 175.875 176.600 0.173 0.000 1.720 1164 E CA 0.828 57.221 56.400 -0.012 0.000 1.052 1164 E CB -1.616 27.929 29.700 -0.258 0.000 1.047 1164 E HN 0.436 nan 8.360 nan 0.000 0.344 1165 V N -0.108 119.904 119.914 0.163 0.000 2.547 1165 V HA 0.860 4.980 4.120 -0.000 0.000 0.299 1165 V C 0.421 176.631 176.094 0.193 0.000 1.040 1165 V CA -0.481 61.930 62.300 0.185 0.000 0.913 1165 V CB 2.336 34.209 31.823 0.084 0.000 0.992 1165 V HN 0.397 nan 8.190 nan 0.000 0.449 1166 T N 2.731 117.368 114.554 0.139 0.000 2.861 1166 T HA 0.453 4.803 4.350 -0.000 0.000 0.287 1166 T C 0.068 174.836 174.700 0.114 0.000 1.003 1166 T CA -0.269 61.888 62.100 0.094 0.000 0.977 1166 T CB 1.514 70.336 68.868 -0.077 0.000 0.996 1166 T HN 0.938 nan 8.240 nan 0.000 0.448 1167 T N 4.348 118.980 114.554 0.131 0.000 2.916 1167 T HA 0.421 4.771 4.350 -0.000 0.000 0.303 1167 T C 0.485 175.285 174.700 0.167 0.000 1.025 1167 T CA -0.117 62.067 62.100 0.140 0.000 1.142 1167 T CB -0.343 68.596 68.868 0.118 0.000 0.947 1167 T HN 0.570 nan 8.240 nan 0.000 0.544 1168 I N -0.526 120.098 120.570 0.090 0.000 3.002 1168 I HA 0.662 4.832 4.170 -0.000 0.000 0.310 1168 I C -0.774 174.993 176.117 -0.583 0.000 1.087 1168 I CA -1.231 59.988 61.300 -0.136 0.000 1.017 1168 I CB 2.190 40.263 38.000 0.122 0.000 1.226 1168 I HN 0.286 nan 8.210 nan 0.000 0.443 1169 D N 4.510 124.004 120.400 -1.509 0.000 2.249 1169 D HA 0.323 4.963 4.640 -0.000 0.000 0.246 1169 D C -1.808 173.891 176.300 -1.003 0.000 1.114 1169 D CA -2.206 51.046 54.000 -1.246 0.000 0.854 1169 D CB 2.194 42.022 40.800 -1.620 0.000 1.132 1169 D HN 0.359 nan 8.370 nan 0.000 0.461 1170 P HA -0.123 nan 4.420 nan 0.000 0.221 1170 P C 1.068 177.946 177.300 -0.704 0.000 1.145 1170 P CA 0.796 63.197 63.100 -1.164 0.000 0.795 1170 P CB 0.383 31.124 31.700 -1.599 0.000 0.775 1171 R N -1.351 118.833 120.500 -0.528 0.000 2.148 1171 R HA -0.090 4.250 4.340 -0.000 0.000 0.227 1171 R C 2.211 178.448 176.300 -0.106 0.000 1.103 1171 R CA 1.022 56.950 56.100 -0.287 0.000 0.983 1171 R CB -0.453 29.727 30.300 -0.200 0.000 0.874 1171 R HN 0.285 nan 8.270 nan 0.000 0.451 1172 W N 0.924 122.104 121.300 -0.200 0.000 2.402 1172 W HA -0.053 4.607 4.660 0.000 0.000 0.286 1172 W C 1.762 178.243 176.519 -0.063 0.000 1.221 1172 W CA 0.425 57.720 57.345 -0.083 0.000 1.257 1172 W CB -0.860 28.675 29.460 0.124 0.000 1.120 1172 W HN 0.089 nan 8.180 nan 0.000 0.551 1173 L N -0.381 120.818 121.223 -0.040 0.000 2.012 1173 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 1173 L C 2.281 179.050 176.870 -0.169 0.000 1.073 1173 L CA 1.122 55.780 54.840 -0.303 0.000 0.748 1173 L CB -1.368 40.045 42.059 -1.077 0.000 0.891 1173 L HN -0.240 nan 8.230 nan 0.000 0.431 1174 V N -0.317 119.493 119.914 -0.173 0.000 2.358 1174 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 1174 V C 2.459 178.498 176.094 -0.092 0.000 1.047 1174 V CA 1.873 64.145 62.300 -0.047 0.000 1.035 1174 V CB -0.530 31.249 31.823 -0.073 0.000 0.658 1174 V HN 0.499 nan 8.190 nan 0.000 0.452 1175 E N -0.028 120.060 120.200 -0.187 0.000 2.058 1175 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 1175 E C 1.884 178.204 176.600 -0.467 0.000 0.997 1175 E CA 1.800 57.961 56.400 -0.399 0.000 0.801 1175 E CB -0.087 29.227 29.700 -0.644 0.000 0.746 1175 E HN 0.609 nan 8.360 nan 0.000 0.450 1176 F N -0.694 119.210 119.950 -0.075 0.000 2.746 1176 F HA 0.337 4.864 4.527 -0.000 0.000 0.297 1176 F C 0.816 176.429 175.800 -0.312 0.000 1.113 1176 F CA 0.424 58.342 58.000 -0.138 0.000 1.367 1176 F CB 0.952 39.910 39.000 -0.071 0.000 1.111 1176 F HN -0.014 nan 8.300 nan 0.000 0.590 1177 A N 0.444 123.157 122.820 -0.179 0.000 3.410 1177 A HA 0.395 4.715 4.320 -0.000 0.000 0.276 1177 A C -1.856 175.742 177.584 0.023 0.000 0.995 1177 A CA -0.726 51.112 52.037 -0.332 0.000 0.934 1177 A CB -0.232 18.151 19.000 -1.028 0.000 1.191 1177 A HN -0.074 nan 8.150 nan 0.000 0.511 1178 P HA -0.130 nan 4.420 nan 0.000 0.220 1178 P C 1.354 178.692 177.300 0.062 0.000 1.148 1178 P CA 1.739 64.863 63.100 0.039 0.000 0.803 1178 P CB 0.280 31.968 31.700 -0.020 0.000 0.782 1179 A N -1.623 121.224 122.820 0.044 0.000 2.123 1179 A HA -0.002 4.318 4.320 -0.000 0.000 0.214 1179 A C 1.866 179.484 177.584 0.056 0.000 1.152 1179 A CA 0.385 52.454 52.037 0.053 0.000 0.728 1179 A CB -1.417 17.623 19.000 0.067 0.000 0.814 1179 A HN 0.114 nan 8.150 nan 0.000 0.464 1180 F N -1.245 118.626 119.950 -0.131 0.000 2.569 1180 F HA 0.361 4.889 4.527 0.000 0.000 0.295 1180 F C -0.190 175.332 175.800 -0.462 0.000 1.115 1180 F CA -0.023 57.797 58.000 -0.300 0.000 1.450 1180 F CB 0.252 39.001 39.000 -0.417 0.000 1.107 1180 F HN 0.067 nan 8.300 nan 0.000 0.563 1181 F N 1.038 121.056 119.950 0.113 0.000 2.522 1181 F HA 0.361 4.888 4.527 0.000 0.000 0.324 1181 F C -0.257 175.545 175.800 0.004 0.000 1.077 1181 F CA -1.177 56.868 58.000 0.075 0.000 0.944 1181 F CB 1.333 40.414 39.000 0.135 0.000 1.175 1181 F HN -0.305 nan 8.300 nan 0.000 0.468 1182 K N 0.468 120.986 120.400 0.196 0.000 2.164 1182 K HA 0.658 4.978 4.320 -0.000 0.000 0.258 1182 K C -0.935 175.730 176.600 0.109 0.000 0.951 1182 K CA -0.810 55.538 56.287 0.101 0.000 0.844 1182 K CB 1.899 34.423 32.500 0.039 0.000 1.099 1182 K HN 0.396 nan 8.250 nan 0.000 0.435 1183 V N 3.064 123.014 119.914 0.061 0.000 2.743 1183 V HA 0.056 4.176 4.120 -0.000 0.000 0.356 1183 V C 0.848 176.966 176.094 0.040 0.000 1.594 1183 V CA 0.222 62.544 62.300 0.036 0.000 1.652 1183 V CB -1.085 30.744 31.823 0.010 0.000 1.389 1183 V HN 0.666 nan 8.190 nan 0.000 0.514 1192 H N 0.712 119.717 119.070 -0.108 0.000 2.489 1192 H HA 0.614 5.170 4.556 -0.000 0.000 0.322 1192 H C 0.594 176.074 175.328 0.252 0.000 1.091 1192 H CA -0.198 55.899 56.048 0.082 0.000 1.291 1192 H CB 0.945 30.781 29.762 0.123 0.000 1.436 1192 H HN 0.200 nan 8.280 nan 0.000 0.480 1193 G N 2.483 111.474 108.800 0.319 0.000 2.467 1193 G HA2 0.418 4.378 3.960 -0.000 0.000 0.257 1193 G HA3 0.418 4.378 3.960 -0.000 0.000 0.257 1193 G C -0.049 175.050 174.900 0.332 0.000 1.227 1193 G CA -0.420 44.837 45.100 0.260 0.000 0.835 1193 G HN 0.458 nan 8.290 nan 0.000 0.556 1194 L N 0.000 121.367 121.223 0.240 0.000 2.949 1194 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 1194 L CA 0.000 54.969 54.840 0.215 0.000 0.813 1194 L CB 0.000 42.002 42.059 -0.096 0.000 0.961 1194 L HN 0.000 nan 8.230 nan 0.000 0.502