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 3i81_1_A DATA FIRST_RESID 955 DATA SEQUENCE DVYVPDEWEV AREKITMSRE LGQGSFGMVY EGVAKGVVKD EPETRVAIKT DATA SEQUENCE VNEAASMRER IEFLNEASVM KEFNCHHVVR LLGVVSQGQP TLVIMELMTR DATA SEQUENCE GDLKSYLRSL RPEXENNPVL APPSLSKMIQ MAGEIADGMA YLNANKFVHR DATA SEQUENCE DLAARNCMVA EDFTVKIGDF GMTRDIYETD YYRXXXXXLL PVRWMSPESL DATA SEQUENCE KDGVFTTYSD VWSFGVVLWE IATLAEQPYQ GLSNEQVLRF VMEGGLLDKP DATA SEQUENCE DNCPDMLFEL MRMCWQYNPK MRPSFLEIIS SIKEEMEPGF REVSFYYSEE DATA SEQUENCE NK 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 955 D HA 0.000 nan 4.640 nan 0.000 0.175 955 D C 0.000 176.329 176.300 0.048 0.000 2.045 955 D CA 0.000 54.026 54.000 0.044 0.000 0.868 955 D CB 0.000 40.820 40.800 0.033 0.000 0.688 956 V N -0.620 119.332 119.914 0.063 0.000 3.424 956 V HA 0.293 4.490 4.120 0.129 0.000 0.491 956 V C -0.485 175.677 176.094 0.113 0.000 0.682 956 V CA 0.436 62.779 62.300 0.072 0.000 2.038 956 V CB -1.224 nan 31.823 nan 0.000 2.479 956 V HN 2.223 nan 8.190 nan 0.000 0.504 957 Y N 4.979 125.279 120.300 0.000 0.000 2.328 957 Y HA 0.782 5.411 4.550 0.130 0.000 0.336 957 Y C 0.262 176.164 175.900 0.005 0.000 0.960 957 Y CA -0.589 57.509 58.100 -0.003 0.000 1.134 957 Y CB 1.650 40.106 38.460 -0.008 0.000 1.166 957 Y HN 2.088 nan 8.280 nan 0.000 0.464 958 V N 7.747 127.312 119.914 -0.582 0.000 2.385 958 V HA 0.542 4.740 4.120 0.129 0.000 0.269 958 V C -2.500 173.199 176.094 -0.658 0.000 1.043 958 V CA -2.332 59.703 62.300 -0.441 0.000 0.906 958 V CB 0.284 31.957 31.823 -0.249 0.000 0.995 958 V HN 0.608 nan 8.190 nan 0.000 0.467 959 P HA 0.358 nan 4.420 nan 0.000 0.271 959 P C -1.029 176.213 177.300 -0.097 0.000 1.216 959 P CA 0.074 63.084 63.100 -0.151 0.000 0.771 959 P CB 1.043 32.754 31.700 0.017 0.000 0.864 960 D N 0.765 121.161 120.400 -0.006 0.000 2.726 960 D HA 0.084 4.801 4.640 0.129 0.000 0.241 960 D C 0.998 177.322 176.300 0.040 0.000 1.150 960 D CA -0.479 53.538 54.000 0.028 0.000 1.089 960 D CB -0.085 40.765 40.800 0.083 0.000 1.260 960 D HN 0.336 nan 8.370 nan 0.000 0.637 961 E N -0.320 119.862 120.200 -0.031 0.000 2.338 961 E HA -0.143 4.284 4.350 0.129 0.000 0.197 961 E C 1.149 177.629 176.600 -0.201 0.000 1.007 961 E CA 0.604 56.909 56.400 -0.158 0.000 0.849 961 E CB -0.516 29.021 29.700 -0.271 0.000 0.774 961 E HN 0.583 nan 8.360 nan 0.000 0.506 962 W N 1.673 122.981 121.300 0.014 0.000 2.800 962 W HA 0.106 4.846 4.660 0.132 0.000 0.249 962 W C 0.762 177.302 176.519 0.035 0.000 1.294 962 W CA -0.286 57.073 57.345 0.023 0.000 1.402 962 W CB 0.120 29.598 29.460 0.030 0.000 1.126 962 W HN -0.027 nan 8.180 nan 0.000 0.652 963 E N 0.931 121.258 120.200 0.213 0.000 2.417 963 E HA 0.145 4.572 4.350 0.129 0.000 0.261 963 E C -0.656 176.004 176.600 0.100 0.000 1.000 963 E CA 0.245 56.738 56.400 0.156 0.000 0.919 963 E CB 0.476 30.250 29.700 0.123 0.000 0.955 963 E HN -0.228 nan 8.360 nan 0.000 0.455 964 V N 3.897 123.868 119.914 0.096 0.000 2.604 964 V HA 0.604 4.801 4.120 0.129 0.000 0.305 964 V C 0.075 176.200 176.094 0.051 0.000 1.043 964 V CA -0.842 61.498 62.300 0.066 0.000 0.888 964 V CB 1.663 33.530 31.823 0.073 0.000 0.995 964 V HN 0.895 nan 8.190 nan 0.000 0.429 965 A N 3.809 126.650 122.820 0.035 0.000 2.498 965 A HA 0.245 4.643 4.320 0.129 0.000 0.239 965 A C 1.408 179.006 177.584 0.024 0.000 1.068 965 A CA 0.187 52.240 52.037 0.026 0.000 0.766 965 A CB -0.082 18.928 19.000 0.017 0.000 1.003 965 A HN 0.974 nan 8.150 nan 0.000 0.497 966 R N 1.189 121.701 120.500 0.020 0.000 2.091 966 R HA -0.168 4.249 4.340 0.129 0.000 0.238 966 R C 2.172 178.476 176.300 0.006 0.000 1.136 966 R CA 2.199 58.307 56.100 0.013 0.000 0.959 966 R CB -0.356 29.949 30.300 0.009 0.000 0.856 966 R HN 0.936 nan 8.270 nan 0.000 0.437 967 E N 1.210 121.412 120.200 0.004 0.000 2.209 967 E HA -0.222 4.206 4.350 0.129 0.000 0.196 967 E C 1.728 178.329 176.600 0.001 0.000 0.993 967 E CA 1.762 58.162 56.400 0.000 0.000 0.819 967 E CB -0.443 29.257 29.700 0.000 0.000 0.745 967 E HN 0.548 nan 8.360 nan 0.000 0.477 968 K N -0.824 119.580 120.400 0.006 0.000 2.366 968 K HA 0.103 4.501 4.320 0.129 0.000 0.198 968 K C 0.217 176.823 176.600 0.009 0.000 1.044 968 K CA 0.135 56.427 56.287 0.008 0.000 0.973 968 K CB 0.216 32.724 32.500 0.014 0.000 0.767 968 K HN 0.305 nan 8.250 nan 0.000 0.475 969 I N 1.332 121.906 120.570 0.007 0.000 2.359 969 I HA 0.150 4.398 4.170 0.129 0.000 0.294 969 I C -0.218 175.894 176.117 -0.009 0.000 0.987 969 I CA -0.208 61.095 61.300 0.005 0.000 1.225 969 I CB 1.505 39.513 38.000 0.013 0.000 1.366 969 I HN -0.195 nan 8.210 nan 0.000 0.466 970 T N 6.972 121.519 114.554 -0.012 0.000 2.864 970 T HA 0.498 4.925 4.350 0.129 0.000 0.299 970 T C 0.043 174.722 174.700 -0.035 0.000 1.011 970 T CA -0.490 61.594 62.100 -0.027 0.000 0.975 970 T CB 1.141 69.998 68.868 -0.019 0.000 0.962 970 T HN 0.351 nan 8.240 nan 0.000 0.448 971 M N 2.645 122.198 119.600 -0.079 0.000 2.188 971 M HA 0.413 4.970 4.480 0.129 0.000 0.357 971 M C 0.876 177.106 176.300 -0.117 0.000 1.204 971 M CA -0.201 55.025 55.300 -0.123 0.000 1.095 971 M CB 1.502 33.919 32.600 -0.305 0.000 1.604 971 M HN 0.686 nan 8.290 nan 0.000 0.464 972 S N 3.027 118.707 115.700 -0.034 0.000 3.609 972 S HA 0.443 4.991 4.470 0.129 0.000 0.182 972 S C 0.233 174.880 174.600 0.077 0.000 0.942 972 S CA -0.422 57.779 58.200 0.002 0.000 1.310 972 S CB 0.623 63.831 63.200 0.015 0.000 1.020 972 S HN 0.705 nan 8.310 nan 0.000 0.841 973 R N 1.830 122.391 120.500 0.103 0.000 2.539 973 R HA 0.360 4.777 4.340 0.129 0.000 0.275 973 R C -0.295 176.121 176.300 0.194 0.000 1.077 973 R CA -0.076 56.099 56.100 0.125 0.000 1.097 973 R CB 0.405 30.745 30.300 0.067 0.000 1.018 973 R HN 0.529 nan 8.270 nan 0.000 0.483 974 E N 1.656 121.945 120.200 0.147 0.000 2.373 974 E HA -0.010 4.417 4.350 0.129 0.000 0.267 974 E C 0.470 177.052 176.600 -0.031 0.000 1.032 974 E CA -0.003 56.398 56.400 0.001 0.000 0.889 974 E CB 0.876 30.542 29.700 -0.058 0.000 0.984 974 E HN 0.446 nan 8.360 nan 0.000 0.425 975 L N 1.243 122.413 121.223 -0.088 0.000 2.445 975 L HA 0.322 4.740 4.340 0.129 0.000 0.207 975 L C 0.913 177.742 176.870 -0.069 0.000 1.053 975 L CA 0.369 55.177 54.840 -0.052 0.000 0.841 975 L CB 0.509 42.547 42.059 -0.035 0.000 1.074 975 L HN 0.704 nan 8.230 nan 0.000 0.479 976 G N -0.598 108.133 108.800 -0.116 0.000 2.339 976 G HA2 0.140 4.178 3.960 0.129 0.000 0.302 976 G HA3 0.140 4.178 3.960 0.129 0.000 0.302 976 G C -1.917 172.909 174.900 -0.123 0.000 1.425 976 G CA -0.736 44.303 45.100 -0.102 0.000 0.899 976 G HN -0.152 nan 8.290 nan 0.000 0.619 977 Q N 0.070 119.810 119.800 -0.101 0.000 2.313 977 Q HA 0.566 4.983 4.340 0.129 0.000 0.266 977 Q C 0.761 176.726 176.000 -0.059 0.000 0.989 977 Q CA 1.017 56.765 55.803 -0.092 0.000 0.890 977 Q CB 0.856 29.547 28.738 -0.078 0.000 1.200 977 Q HN 1.080 nan 8.270 nan 0.000 0.396 978 G N 1.417 110.193 108.800 -0.041 0.000 2.568 978 G HA2 0.483 4.520 3.960 0.129 0.000 0.293 978 G HA3 0.483 4.520 3.960 0.129 0.000 0.293 978 G C 0.532 175.429 174.900 -0.005 0.000 1.347 978 G CA -0.060 45.046 45.100 0.010 0.000 1.039 978 G HN 0.816 nan 8.290 nan 0.000 0.523 979 S N -1.404 114.310 115.700 0.023 0.000 2.387 979 S HA 0.137 4.685 4.470 0.129 0.000 0.226 979 S C 1.697 176.135 174.600 -0.270 0.000 1.026 979 S CA 1.182 59.303 58.200 -0.131 0.000 0.972 979 S CB -0.286 62.824 63.200 -0.150 0.000 0.814 979 S HN 0.350 nan 8.310 nan 0.000 0.477 980 F N 0.495 120.457 119.950 0.021 0.000 2.731 980 F HA 0.467 5.078 4.527 0.140 0.000 0.298 980 F C 1.265 176.976 175.800 -0.149 0.000 1.106 980 F CA 0.398 58.362 58.000 -0.060 0.000 1.329 980 F CB 0.898 39.860 39.000 -0.064 0.000 1.100 980 F HN 0.439 nan 8.300 nan 0.000 0.592 981 G N -0.411 108.403 108.800 0.022 0.000 2.315 981 G HA2 0.319 4.357 3.960 0.129 0.000 0.294 981 G HA3 0.319 4.357 3.960 0.129 0.000 0.294 981 G C -1.645 173.219 174.900 -0.059 0.000 1.300 981 G CA -1.129 43.945 45.100 -0.042 0.000 0.843 981 G HN -0.177 nan 8.290 nan 0.000 0.527 982 M N 0.717 120.256 119.600 -0.101 0.000 2.248 982 M HA 0.510 5.068 4.480 0.129 0.000 0.345 982 M C -0.146 175.973 176.300 -0.301 0.000 1.243 982 M CA -0.185 54.964 55.300 -0.252 0.000 1.090 982 M CB 0.802 33.178 32.600 -0.373 0.000 1.683 982 M HN 0.390 nan 8.290 nan 0.000 0.450 983 V N 7.325 127.040 119.914 -0.332 0.000 2.398 983 V HA 0.424 4.622 4.120 0.129 0.000 0.286 983 V C -0.908 174.995 176.094 -0.319 0.000 1.026 983 V CA -0.553 61.633 62.300 -0.191 0.000 0.868 983 V CB 0.765 32.554 31.823 -0.056 0.000 0.982 983 V HN 0.767 nan 8.190 nan 0.000 0.443 984 Y N 2.188 122.495 120.300 0.012 0.000 2.549 984 Y HA 0.579 5.209 4.550 0.133 0.000 0.339 984 Y C 0.524 176.428 175.900 0.006 0.000 1.053 984 Y CA -1.038 57.065 58.100 0.006 0.000 1.105 984 Y CB 1.525 39.987 38.460 0.003 0.000 1.258 984 Y HN 0.746 nan 8.280 nan 0.000 0.478 985 E N 0.379 120.683 120.200 0.173 0.000 2.232 985 E HA 0.844 5.272 4.350 0.129 0.000 0.265 985 E C -0.216 176.436 176.600 0.086 0.000 1.001 985 E CA -0.803 55.653 56.400 0.094 0.000 0.870 985 E CB 2.149 31.881 29.700 0.054 0.000 1.175 985 E HN 0.791 nan 8.360 nan 0.000 0.407 986 G N -0.216 108.614 108.800 0.049 0.000 2.393 986 G HA2 0.395 4.433 3.960 0.129 0.000 0.264 986 G HA3 0.395 4.433 3.960 0.129 0.000 0.264 986 G C -1.150 173.761 174.900 0.019 0.000 1.221 986 G CA -0.285 44.832 45.100 0.029 0.000 0.912 986 G HN 1.069 nan 8.290 nan 0.000 0.483 987 V N -2.708 117.213 119.914 0.012 0.000 2.823 987 V HA 0.991 5.189 4.120 0.129 0.000 0.312 987 V C -0.040 176.061 176.094 0.011 0.000 1.072 987 V CA -0.326 61.980 62.300 0.010 0.000 0.937 987 V CB 1.159 32.986 31.823 0.005 0.000 1.013 987 V HN 2.350 nan 8.190 nan 0.000 0.430 988 A N 2.965 125.793 122.820 0.013 0.000 2.449 988 A HA 0.815 5.213 4.320 0.129 0.000 0.302 988 A C -0.703 176.890 177.584 0.014 0.000 1.048 988 A CA -0.877 51.170 52.037 0.016 0.000 0.708 988 A CB 1.981 20.996 19.000 0.025 0.000 1.274 988 A HN 1.002 nan 8.150 nan 0.000 0.410 989 K N 1.102 121.509 120.400 0.013 0.000 2.206 989 K HA 0.503 4.901 4.320 0.129 0.000 0.264 989 K C 0.766 177.372 176.600 0.011 0.000 0.967 989 K CA 0.478 56.770 56.287 0.010 0.000 0.844 989 K CB 0.941 33.445 32.500 0.006 0.000 1.099 989 K HN 1.918 nan 8.250 nan 0.000 0.441 990 G N 2.589 111.394 108.800 0.008 0.000 2.221 990 G HA2 -0.251 3.787 3.960 0.129 0.000 0.265 990 G HA3 -0.251 3.787 3.960 0.129 0.000 0.265 990 G C 0.404 175.310 174.900 0.011 0.000 1.041 990 G CA 0.579 45.682 45.100 0.005 0.000 0.807 990 G HN 0.633 nan 8.290 nan 0.000 0.502 991 V N -3.934 115.994 119.914 0.023 0.000 2.949 991 V HA 0.466 4.663 4.120 0.129 0.000 0.245 991 V C 1.177 177.296 176.094 0.041 0.000 1.086 991 V CA 1.014 63.339 62.300 0.042 0.000 1.097 991 V CB 0.633 32.491 31.823 0.059 0.000 0.762 991 V HN 0.497 nan 8.190 nan 0.000 0.470 992 V N 3.361 123.291 119.914 0.027 0.000 2.239 992 V HA 0.506 4.703 4.120 0.129 0.000 0.267 992 V C 0.578 176.676 176.094 0.008 0.000 1.056 992 V CA -0.716 61.598 62.300 0.023 0.000 0.830 992 V CB -0.072 31.765 31.823 0.022 0.000 1.090 992 V HN 0.593 nan 8.190 nan 0.000 0.459 993 K N 3.193 123.591 120.400 -0.003 0.000 1.751 993 K HA -0.241 4.156 4.320 0.129 0.000 0.134 993 K C 0.752 177.345 176.600 -0.012 0.000 1.167 993 K CA 1.985 58.264 56.287 -0.014 0.000 0.330 993 K CB -1.070 31.424 32.500 -0.010 0.000 0.663 993 K HN 0.887 nan 8.250 nan 0.000 0.817 994 D N 1.920 122.315 120.400 -0.009 0.000 2.501 994 D HA 0.102 4.820 4.640 0.129 0.000 0.226 994 D C -0.304 175.994 176.300 -0.003 0.000 1.198 994 D CA -0.089 53.907 54.000 -0.007 0.000 0.830 994 D CB -0.240 40.554 40.800 -0.010 0.000 1.014 994 D HN 0.367 nan 8.370 nan 0.000 0.496 995 E N 2.145 122.345 120.200 0.000 0.000 2.406 995 E HA 0.023 4.451 4.350 0.129 0.000 0.258 995 E C -1.332 175.270 176.600 0.003 0.000 1.043 995 E CA -1.147 55.255 56.400 0.002 0.000 0.929 995 E CB 1.263 30.966 29.700 0.005 0.000 0.969 995 E HN 0.164 nan 8.360 nan 0.000 0.462 996 P HA -0.126 nan 4.420 nan 0.000 0.223 996 P C -0.073 177.229 177.300 0.003 0.000 1.151 996 P CA 1.134 64.235 63.100 0.002 0.000 0.787 996 P CB 0.465 32.165 31.700 0.001 0.000 0.788 997 E N -0.336 119.866 120.200 0.004 0.000 2.343 997 E HA 0.294 4.722 4.350 0.129 0.000 0.260 997 E C -1.189 175.414 176.600 0.006 0.000 0.908 997 E CA -0.326 56.077 56.400 0.005 0.000 0.814 997 E CB 1.122 30.824 29.700 0.003 0.000 1.302 997 E HN -0.194 nan 8.360 nan 0.000 0.408 998 T N 3.621 118.180 114.554 0.008 0.000 2.812 998 T HA 0.389 4.817 4.350 0.129 0.000 0.282 998 T C -0.114 174.590 174.700 0.008 0.000 0.990 998 T CA -0.742 61.362 62.100 0.008 0.000 0.960 998 T CB 1.104 69.980 68.868 0.012 0.000 0.948 998 T HN 0.308 nan 8.240 nan 0.000 0.438 999 R N 2.223 122.725 120.500 0.004 0.000 2.421 999 R HA 0.416 4.833 4.340 0.129 0.000 0.305 999 R C 0.207 176.509 176.300 0.004 0.000 1.039 999 R CA -0.227 55.875 56.100 0.003 0.000 1.003 999 R CB 0.177 30.475 30.300 -0.003 0.000 0.959 999 R HN 0.545 nan 8.270 nan 0.000 0.427 1000 V N -0.620 119.301 119.914 0.012 0.000 3.126 1000 V HA 0.889 5.087 4.120 0.129 0.000 0.314 1000 V C -0.538 175.570 176.094 0.023 0.000 1.138 1000 V CA -1.265 61.044 62.300 0.015 0.000 1.034 1000 V CB 2.079 33.916 31.823 0.023 0.000 1.075 1000 V HN 0.718 nan 8.190 nan 0.000 0.442 1001 A N 2.386 125.219 122.820 0.022 0.000 2.288 1001 A HA 0.896 5.294 4.320 0.129 0.000 0.320 1001 A C -0.708 176.909 177.584 0.055 0.000 1.217 1001 A CA -0.562 51.495 52.037 0.034 0.000 0.840 1001 A CB 0.455 19.461 19.000 0.010 0.000 1.179 1001 A HN 0.881 nan 8.150 nan 0.000 0.504 1002 I N 2.738 123.366 120.570 0.096 0.000 2.382 1002 I HA 0.251 4.499 4.170 0.129 0.000 0.285 1002 I C 0.027 176.240 176.117 0.161 0.000 1.007 1002 I CA -0.151 61.224 61.300 0.124 0.000 1.142 1002 I CB 1.726 39.804 38.000 0.129 0.000 1.289 1002 I HN 0.529 nan 8.210 nan 0.000 0.453 1003 K N 4.908 125.411 120.400 0.171 0.000 2.234 1003 K HA 0.509 4.907 4.320 0.129 0.000 0.282 1003 K C 0.148 176.883 176.600 0.224 0.000 1.039 1003 K CA -0.437 55.988 56.287 0.230 0.000 0.928 1003 K CB 1.450 34.159 32.500 0.349 0.000 1.039 1003 K HN 0.709 nan 8.250 nan 0.000 0.470 1004 T N -1.901 112.689 114.554 0.061 0.000 2.940 1004 T HA 0.528 4.955 4.350 0.129 0.000 0.288 1004 T C -0.326 174.138 174.700 -0.395 0.000 1.045 1004 T CA -0.838 61.202 62.100 -0.100 0.000 1.018 1004 T CB 1.370 70.285 68.868 0.079 0.000 1.151 1004 T HN 0.142 nan 8.240 nan 0.000 0.529 1005 V N 2.927 122.587 119.914 -0.424 0.000 2.417 1005 V HA 0.399 4.596 4.120 0.129 0.000 0.291 1005 V C 0.261 176.262 176.094 -0.155 0.000 1.024 1005 V CA -1.237 60.829 62.300 -0.389 0.000 0.861 1005 V CB 0.913 32.451 31.823 -0.475 0.000 0.985 1005 V HN 1.133 nan 8.190 nan 0.000 0.436 1006 N N 3.083 121.732 118.700 -0.085 0.000 2.407 1006 N HA 0.188 5.006 4.740 0.129 0.000 0.250 1006 N C 1.112 176.602 175.510 -0.034 0.000 1.236 1006 N CA 0.472 53.499 53.050 -0.039 0.000 0.879 1006 N CB 0.586 39.058 38.487 -0.026 0.000 1.088 1006 N HN 0.731 nan 8.380 nan 0.000 0.450 1007 E N 1.482 121.671 120.200 -0.019 0.000 2.160 1007 E HA -0.175 4.252 4.350 0.129 0.000 0.195 1007 E C 1.899 178.491 176.600 -0.013 0.000 0.991 1007 E CA 1.695 58.086 56.400 -0.016 0.000 0.810 1007 E CB -1.026 28.669 29.700 -0.008 0.000 0.742 1007 E HN 0.871 nan 8.360 nan 0.000 0.466 1008 A N -0.195 122.619 122.820 -0.010 0.000 2.238 1008 A HA 0.612 5.010 4.320 0.129 0.000 0.208 1008 A C 1.742 179.324 177.584 -0.003 0.000 1.177 1008 A CA 0.751 52.785 52.037 -0.006 0.000 0.804 1008 A CB -0.402 18.595 19.000 -0.006 0.000 0.823 1008 A HN 0.877 nan 8.150 nan 0.000 0.482 1009 A N 0.780 123.598 122.820 -0.004 0.000 2.407 1009 A HA 0.513 4.911 4.320 0.129 0.000 0.248 1009 A C 0.939 178.530 177.584 0.011 0.000 1.082 1009 A CA 0.279 52.322 52.037 0.010 0.000 0.785 1009 A CB -0.005 19.005 19.000 0.016 0.000 1.020 1009 A HN 0.909 nan 8.150 nan 0.000 0.489 1010 S N 1.697 117.412 115.700 0.025 0.000 2.645 1010 S HA 0.294 4.841 4.470 0.129 0.000 0.266 1010 S C 1.028 175.644 174.600 0.027 0.000 1.258 1010 S CA 0.096 58.310 58.200 0.024 0.000 0.990 1010 S CB 0.464 63.681 63.200 0.028 0.000 0.967 1010 S HN 0.751 nan 8.310 nan 0.000 0.556 1011 M N 1.129 120.743 119.600 0.023 0.000 2.213 1011 M HA -0.038 4.520 4.480 0.129 0.000 0.263 1011 M C 2.453 178.774 176.300 0.034 0.000 1.062 1011 M CA 1.486 56.800 55.300 0.024 0.000 1.105 1011 M CB -1.204 31.410 32.600 0.024 0.000 1.385 1011 M HN 0.731 nan 8.290 nan 0.000 0.417 1012 R N -0.127 120.398 120.500 0.043 0.000 2.081 1012 R HA -0.094 4.323 4.340 0.129 0.000 0.235 1012 R C 2.060 178.407 176.300 0.079 0.000 1.131 1012 R CA 2.115 58.248 56.100 0.055 0.000 0.960 1012 R CB -0.925 29.407 30.300 0.054 0.000 0.856 1012 R HN 0.751 nan 8.270 nan 0.000 0.436 1013 E N -0.571 119.689 120.200 0.100 0.000 2.106 1013 E HA -0.094 4.333 4.350 0.129 0.000 0.192 1013 E C 2.476 179.125 176.600 0.083 0.000 0.984 1013 E CA 1.441 57.951 56.400 0.184 0.000 0.806 1013 E CB -0.137 29.679 29.700 0.193 0.000 0.750 1013 E HN 0.410 nan 8.360 nan 0.000 0.458 1014 R N 0.307 120.814 120.500 0.012 0.000 2.075 1014 R HA -0.073 4.345 4.340 0.129 0.000 0.232 1014 R C 2.368 178.641 176.300 -0.044 0.000 1.126 1014 R CA 1.027 57.099 56.100 -0.046 0.000 0.963 1014 R CB -0.263 30.018 30.300 -0.032 0.000 0.858 1014 R HN 0.171 nan 8.270 nan 0.000 0.435 1015 I N 0.740 121.302 120.570 -0.015 0.000 2.252 1015 I HA -0.248 4.000 4.170 0.129 0.000 0.245 1015 I C 2.599 178.689 176.117 -0.045 0.000 1.102 1015 I CA 1.241 62.538 61.300 -0.005 0.000 1.385 1015 I CB -0.197 37.831 38.000 0.046 0.000 1.064 1015 I HN 0.257 nan 8.210 nan 0.000 0.414 1016 E N 0.670 120.852 120.200 -0.030 0.000 2.077 1016 E HA -0.280 4.148 4.350 0.129 0.000 0.193 1016 E C 2.183 178.628 176.600 -0.259 0.000 0.989 1016 E CA 1.401 57.789 56.400 -0.020 0.000 0.800 1016 E CB -0.101 29.706 29.700 0.178 0.000 0.746 1016 E HN 0.441 nan 8.360 nan 0.000 0.452 1017 F N 1.123 120.560 119.950 -0.856 0.000 2.134 1017 F HA -0.168 4.434 4.527 0.126 0.000 0.299 1017 F C 1.860 177.309 175.800 -0.586 0.000 1.097 1017 F CA 1.316 58.577 58.000 -1.233 0.000 1.264 1017 F CB -0.177 38.052 39.000 -1.285 0.000 1.001 1017 F HN -0.025 nan 8.300 nan 0.000 0.479 1018 L N 0.272 121.202 121.223 -0.488 0.000 2.056 1018 L HA -0.217 4.200 4.340 0.129 0.000 0.207 1018 L C 2.275 178.882 176.870 -0.440 0.000 1.078 1018 L CA 1.212 55.665 54.840 -0.646 0.000 0.749 1018 L CB -0.854 40.669 42.059 -0.894 0.000 0.901 1018 L HN 0.168 nan 8.230 nan 0.000 0.433 1019 N N -0.271 118.304 118.700 -0.209 0.000 2.216 1019 N HA -0.197 4.621 4.740 0.129 0.000 0.183 1019 N C 1.769 177.224 175.510 -0.091 0.000 1.017 1019 N CA 1.046 54.066 53.050 -0.049 0.000 0.861 1019 N CB -0.059 38.442 38.487 0.024 0.000 0.986 1019 N HN 0.410 nan 8.380 nan 0.000 0.428 1020 E N 0.834 120.952 120.200 -0.138 0.000 2.072 1020 E HA -0.066 4.362 4.350 0.129 0.000 0.191 1020 E C 1.725 178.243 176.600 -0.136 0.000 0.985 1020 E CA 0.898 57.250 56.400 -0.081 0.000 0.801 1020 E CB 0.047 29.742 29.700 -0.008 0.000 0.750 1020 E HN 0.292 nan 8.360 nan 0.000 0.452 1021 A N 0.362 122.991 122.820 -0.317 0.000 1.969 1021 A HA -0.088 4.309 4.320 0.129 0.000 0.218 1021 A C 2.253 179.666 177.584 -0.285 0.000 1.169 1021 A CA 1.322 53.144 52.037 -0.358 0.000 0.635 1021 A CB -0.328 18.296 19.000 -0.627 0.000 0.810 1021 A HN 0.213 nan 8.150 nan 0.000 0.445 1022 S N -0.208 115.347 115.700 -0.242 0.000 2.493 1022 S HA -0.099 4.449 4.470 0.129 0.000 0.243 1022 S C 1.675 176.150 174.600 -0.208 0.000 0.991 1022 S CA 1.146 59.227 58.200 -0.199 0.000 0.957 1022 S CB -0.370 62.803 63.200 -0.044 0.000 0.756 1022 S HN 0.393 nan 8.310 nan 0.000 0.521 1023 V N 1.709 121.533 119.914 -0.151 0.000 2.427 1023 V HA -0.144 4.054 4.120 0.129 0.000 0.248 1023 V C 2.251 178.127 176.094 -0.363 0.000 1.051 1023 V CA 1.214 63.426 62.300 -0.147 0.000 1.048 1023 V CB -0.543 31.299 31.823 0.031 0.000 0.666 1023 V HN 0.509 nan 8.190 nan 0.000 0.456 1024 M N -0.239 119.217 119.600 -0.240 0.000 2.358 1024 M HA -0.138 4.419 4.480 0.129 0.000 0.264 1024 M C 2.027 178.061 176.300 -0.443 0.000 1.064 1024 M CA 1.405 56.574 55.300 -0.218 0.000 1.093 1024 M CB -1.190 31.298 32.600 -0.187 0.000 1.401 1024 M HN 0.359 nan 8.290 nan 0.000 0.440 1025 K N 0.293 120.342 120.400 -0.586 0.000 2.152 1025 K HA -0.182 4.215 4.320 0.129 0.000 0.206 1025 K C 1.895 178.311 176.600 -0.307 0.000 1.048 1025 K CA 1.152 57.014 56.287 -0.709 0.000 0.933 1025 K CB -0.163 31.912 32.500 -0.709 0.000 0.721 1025 K HN 0.427 nan 8.250 nan 0.000 0.447 1026 E N -0.032 119.897 120.200 -0.451 0.000 2.347 1026 E HA -0.065 4.362 4.350 0.129 0.000 0.196 1026 E C -0.550 175.911 176.600 -0.232 0.000 1.008 1026 E CA 0.238 56.419 56.400 -0.366 0.000 0.852 1026 E CB 0.249 29.643 29.700 -0.510 0.000 0.783 1026 E HN 0.043 nan 8.360 nan 0.000 0.505 1027 F N 0.535 120.532 119.950 0.079 0.000 2.408 1027 F HA 0.328 4.932 4.527 0.128 0.000 0.344 1027 F C 0.167 176.026 175.800 0.097 0.000 1.112 1027 F CA -1.275 56.833 58.000 0.179 0.000 1.096 1027 F CB 0.914 39.981 39.000 0.113 0.000 1.129 1027 F HN -0.235 nan 8.300 nan 0.000 0.486 1028 N N 2.106 120.970 118.700 0.274 0.000 2.707 1028 N HA 0.360 5.178 4.740 0.129 0.000 0.249 1028 N C -1.980 173.380 175.510 -0.250 0.000 1.299 1028 N CA -0.041 53.052 53.050 0.072 0.000 0.769 1028 N CB 0.759 39.351 38.487 0.174 0.000 1.236 1028 N HN 0.730 nan 8.380 nan 0.000 0.524 1029 C N 2.184 121.235 119.300 -0.415 0.000 2.609 1029 C HA 0.402 4.939 4.460 0.129 0.000 0.313 1029 C C 1.509 176.337 174.990 -0.270 0.000 1.175 1029 C CA -0.547 58.145 59.018 -0.543 0.000 1.434 1029 C CB 0.637 27.716 27.740 -1.101 0.000 2.005 1029 C HN 0.940 nan 8.230 nan 0.000 0.471 1030 H N 1.211 120.094 119.070 -0.311 0.000 2.491 1030 H HA 0.032 4.666 4.556 0.130 0.000 0.290 1030 H C 0.996 176.051 175.328 -0.456 0.000 1.050 1030 H CA 2.073 57.895 56.048 -0.376 0.000 1.309 1030 H CB 0.035 29.521 29.762 -0.459 0.000 1.392 1030 H HN 0.855 nan 8.280 nan 0.000 0.554 1031 H N -1.197 117.824 119.070 -0.081 0.000 2.507 1031 H HA 0.360 4.993 4.556 0.129 0.000 0.294 1031 H C -0.765 174.484 175.328 -0.132 0.000 1.064 1031 H CA -0.157 55.845 56.048 -0.076 0.000 1.138 1031 H CB 0.652 30.453 29.762 0.065 0.000 1.515 1031 H HN 0.004 nan 8.280 nan 0.000 0.547 1032 V N 1.275 121.103 119.914 -0.143 0.000 2.623 1032 V HA 0.108 4.305 4.120 0.129 0.000 0.304 1032 V C 0.001 175.982 176.094 -0.188 0.000 1.054 1032 V CA -1.157 61.037 62.300 -0.177 0.000 0.882 1032 V CB 2.374 34.056 31.823 -0.236 0.000 1.002 1032 V HN -0.018 nan 8.190 nan 0.000 0.424 1033 V N 5.744 125.545 119.914 -0.189 0.000 2.509 1033 V HA 0.051 4.249 4.120 0.129 0.000 0.297 1033 V C 0.902 176.902 176.094 -0.157 0.000 1.014 1033 V CA 0.321 62.518 62.300 -0.173 0.000 1.127 1033 V CB -0.261 31.459 31.823 -0.172 0.000 0.925 1033 V HN 0.775 nan 8.190 nan 0.000 0.480 1034 R N 3.964 124.393 120.500 -0.118 0.000 2.490 1034 R HA 0.519 4.936 4.340 0.129 0.000 0.278 1034 R C -0.331 175.912 176.300 -0.095 0.000 1.069 1034 R CA -0.734 55.317 56.100 -0.082 0.000 1.080 1034 R CB 0.962 31.240 30.300 -0.036 0.000 1.030 1034 R HN 0.626 nan 8.270 nan 0.000 0.491 1035 L N 3.555 124.695 121.223 -0.138 0.000 2.292 1035 L HA 0.198 4.615 4.340 0.129 0.000 0.284 1035 L C 0.162 176.987 176.870 -0.075 0.000 1.065 1035 L CA 0.026 54.745 54.840 -0.201 0.000 0.806 1035 L CB 0.704 42.511 42.059 -0.420 0.000 1.175 1035 L HN 0.691 nan 8.230 nan 0.000 0.431 1036 L N 4.634 125.873 121.223 0.028 0.000 2.500 1036 L HA 0.539 4.956 4.340 0.129 0.000 0.219 1036 L C 0.834 177.872 176.870 0.280 0.000 1.057 1036 L CA 0.278 55.227 54.840 0.181 0.000 0.854 1036 L CB 0.252 42.371 42.059 0.101 0.000 1.078 1036 L HN 0.754 nan 8.230 nan 0.000 0.480 1037 G N -0.768 108.140 108.800 0.180 0.000 2.576 1037 G HA2 0.546 4.584 3.960 0.129 0.000 0.290 1037 G HA3 0.546 4.584 3.960 0.129 0.000 0.290 1037 G C -2.079 172.887 174.900 0.110 0.000 1.442 1037 G CA -0.349 44.875 45.100 0.206 0.000 0.792 1037 G HN -0.310 nan 8.290 nan 0.000 0.491 1038 V N 0.028 120.022 119.914 0.134 0.000 2.623 1038 V HA 0.525 4.723 4.120 0.129 0.000 0.304 1038 V C -0.519 175.631 176.094 0.093 0.000 1.054 1038 V CA -0.615 61.731 62.300 0.076 0.000 0.882 1038 V CB 1.986 33.859 31.823 0.083 0.000 1.002 1038 V HN 0.724 nan 8.190 nan 0.000 0.424 1039 V N 4.008 123.962 119.914 0.066 0.000 2.250 1039 V HA 0.234 4.431 4.120 0.129 0.000 0.268 1039 V C 1.030 177.156 176.094 0.055 0.000 1.043 1039 V CA 0.373 62.712 62.300 0.066 0.000 0.814 1039 V CB 0.793 32.649 31.823 0.054 0.000 1.072 1039 V HN 1.023 nan 8.190 nan 0.000 0.451 1040 S N 1.773 117.516 115.700 0.072 0.000 2.492 1040 S HA 0.128 4.676 4.470 0.129 0.000 0.218 1040 S C 0.773 175.420 174.600 0.079 0.000 1.016 1040 S CA -0.165 58.074 58.200 0.064 0.000 0.916 1040 S CB 0.133 63.416 63.200 0.138 0.000 0.791 1040 S HN 0.564 nan 8.310 nan 0.000 0.513 1041 Q N 2.341 122.188 119.800 0.078 0.000 2.296 1041 Q HA 0.528 4.946 4.340 0.129 0.000 0.263 1041 Q C 0.903 176.926 176.000 0.038 0.000 1.026 1041 Q CA 0.902 56.740 55.803 0.059 0.000 0.912 1041 Q CB 0.331 29.102 28.738 0.055 0.000 1.198 1041 Q HN 0.633 nan 8.270 nan 0.000 0.407 1042 G N 3.087 111.905 108.800 0.030 0.000 2.741 1042 G HA2 -0.244 3.794 3.960 0.129 0.000 0.222 1042 G HA3 -0.244 3.794 3.960 0.129 0.000 0.222 1042 G C -0.829 174.077 174.900 0.009 0.000 1.364 1042 G CA -0.669 44.441 45.100 0.017 0.000 0.866 1042 G HN 0.546 nan 8.290 nan 0.000 0.555 1043 Q N 0.228 120.028 119.800 0.000 0.000 2.394 1043 Q HA 0.588 5.006 4.340 0.129 0.000 0.273 1043 Q C -2.139 173.852 176.000 -0.014 0.000 1.089 1043 Q CA -1.562 54.235 55.803 -0.010 0.000 0.812 1043 Q CB 2.421 31.151 28.738 -0.014 0.000 1.353 1043 Q HN 0.673 nan 8.270 nan 0.000 0.438 1044 P HA 0.064 nan 4.420 nan 0.000 0.271 1044 P C -0.850 176.434 177.300 -0.027 0.000 1.218 1044 P CA -0.261 62.820 63.100 -0.031 0.000 0.780 1044 P CB 0.603 32.285 31.700 -0.031 0.000 0.901 1045 T N 3.303 117.824 114.554 -0.055 0.000 2.799 1045 T HA 0.356 4.783 4.350 0.129 0.000 0.296 1045 T C 0.372 175.075 174.700 0.005 0.000 0.947 1045 T CA -0.047 62.034 62.100 -0.033 0.000 1.141 1045 T CB -0.170 68.653 68.868 -0.075 0.000 0.891 1045 T HN 0.219 nan 8.240 nan 0.000 0.533 1046 L N 2.740 124.023 121.223 0.101 0.000 2.354 1046 L HA 0.812 5.229 4.340 0.129 0.000 0.264 1046 L C -0.674 176.311 176.870 0.191 0.000 1.008 1046 L CA -1.315 53.621 54.840 0.159 0.000 0.819 1046 L CB 2.073 44.185 42.059 0.088 0.000 1.339 1046 L HN 0.275 nan 8.230 nan 0.000 0.420 1047 V N 3.431 123.466 119.914 0.201 0.000 2.482 1047 V HA 0.388 4.586 4.120 0.129 0.000 0.295 1047 V C -0.292 175.825 176.094 0.039 0.000 1.026 1047 V CA -0.421 61.896 62.300 0.027 0.000 0.856 1047 V CB 2.018 33.714 31.823 -0.211 0.000 1.001 1047 V HN 0.419 nan 8.190 nan 0.000 0.424 1048 I N 5.849 126.432 120.570 0.021 0.000 2.371 1048 I HA 0.464 4.712 4.170 0.129 0.000 0.290 1048 I C 0.147 176.261 176.117 -0.004 0.000 1.028 1048 I CA 0.081 61.399 61.300 0.029 0.000 1.345 1048 I CB 1.055 39.085 38.000 0.050 0.000 1.407 1048 I HN 0.438 nan 8.210 nan 0.000 0.501 1049 M N 3.874 123.470 119.600 -0.006 0.000 2.716 1049 M HA 0.352 4.910 4.480 0.129 0.000 0.307 1049 M C 0.105 176.391 176.300 -0.023 0.000 1.223 1049 M CA -0.753 54.526 55.300 -0.035 0.000 0.871 1049 M CB 2.048 34.618 32.600 -0.050 0.000 1.739 1049 M HN 0.512 nan 8.290 nan 0.000 0.475 1050 E N 1.496 121.670 120.200 -0.042 0.000 2.376 1050 E HA 0.148 4.575 4.350 0.129 0.000 0.266 1050 E C -1.303 175.269 176.600 -0.046 0.000 1.009 1050 E CA -0.368 56.006 56.400 -0.043 0.000 0.902 1050 E CB 0.859 30.519 29.700 -0.067 0.000 0.972 1050 E HN 0.413 nan 8.360 nan 0.000 0.439 1051 L N 5.470 126.671 121.223 -0.037 0.000 2.319 1051 L HA 0.197 4.615 4.340 0.129 0.000 0.280 1051 L C -0.699 176.138 176.870 -0.056 0.000 1.099 1051 L CA 0.183 55.002 54.840 -0.036 0.000 0.828 1051 L CB 0.978 43.024 42.059 -0.022 0.000 1.150 1051 L HN 0.582 nan 8.230 nan 0.000 0.442 1052 M N 4.943 124.508 119.600 -0.058 0.000 2.016 1052 M HA 0.185 4.742 4.480 0.129 0.000 0.315 1052 M C 1.198 177.456 176.300 -0.069 0.000 0.930 1052 M CA -0.259 54.996 55.300 -0.076 0.000 0.899 1052 M CB 0.489 33.045 32.600 -0.074 0.000 1.401 1052 M HN 0.765 nan 8.290 nan 0.000 0.386 1053 T N -0.760 113.745 114.554 -0.083 0.000 2.897 1053 T HA -0.091 4.336 4.350 0.129 0.000 0.271 1053 T C 1.347 176.003 174.700 -0.074 0.000 1.084 1053 T CA 1.138 63.194 62.100 -0.073 0.000 1.123 1053 T CB -0.045 68.773 68.868 -0.082 0.000 0.865 1053 T HN 0.611 nan 8.240 nan 0.000 0.496 1054 R N 1.190 121.624 120.500 -0.110 0.000 2.359 1054 R HA 0.433 4.850 4.340 0.129 0.000 0.231 1054 R C 1.605 177.905 176.300 0.000 0.000 0.913 1054 R CA 0.152 56.204 56.100 -0.081 0.000 1.075 1054 R CB -0.149 30.019 30.300 -0.219 0.000 1.087 1054 R HN 0.577 nan 8.270 nan 0.000 0.515 1055 G N 2.395 111.193 108.800 -0.003 0.000 2.601 1055 G HA2 -0.369 3.668 3.960 0.129 0.000 0.252 1055 G HA3 -0.369 3.668 3.960 0.129 0.000 0.252 1055 G C -0.624 174.307 174.900 0.051 0.000 1.294 1055 G CA 0.015 45.136 45.100 0.035 0.000 0.912 1055 G HN 0.565 nan 8.290 nan 0.000 0.574 1056 D N -0.567 119.890 120.400 0.096 0.000 2.362 1056 D HA 0.400 5.118 4.640 0.129 0.000 0.242 1056 D C 1.569 177.951 176.300 0.138 0.000 1.132 1056 D CA -0.141 53.923 54.000 0.106 0.000 0.907 1056 D CB 0.918 41.803 40.800 0.141 0.000 1.195 1056 D HN 0.679 nan 8.370 nan 0.000 0.429 1057 L N 1.546 122.835 121.223 0.110 0.000 2.079 1057 L HA -0.141 4.277 4.340 0.129 0.000 0.210 1057 L C 2.112 179.083 176.870 0.167 0.000 1.081 1057 L CA 1.825 56.760 54.840 0.159 0.000 0.752 1057 L CB -0.706 41.420 42.059 0.111 0.000 0.896 1057 L HN 0.683 nan 8.230 nan 0.000 0.433 1058 K N -1.269 119.179 120.400 0.079 0.000 2.057 1058 K HA -0.138 4.259 4.320 0.129 0.000 0.207 1058 K C 2.084 178.761 176.600 0.128 0.000 1.049 1058 K CA 1.611 57.912 56.287 0.024 0.000 0.931 1058 K CB -0.114 32.230 32.500 -0.259 0.000 0.714 1058 K HN 0.350 nan 8.250 nan 0.000 0.440 1059 S N -0.139 115.693 115.700 0.220 0.000 2.368 1059 S HA -0.160 4.388 4.470 0.129 0.000 0.225 1059 S C 1.598 176.310 174.600 0.187 0.000 1.030 1059 S CA 1.216 59.558 58.200 0.238 0.000 0.999 1059 S CB -0.468 62.874 63.200 0.236 0.000 0.844 1059 S HN 0.445 nan 8.310 nan 0.000 0.459 1060 Y N 2.218 122.573 120.300 0.090 0.000 2.145 1060 Y HA -0.059 4.568 4.550 0.127 0.000 0.286 1060 Y C 1.853 177.799 175.900 0.077 0.000 1.145 1060 Y CA 1.250 59.401 58.100 0.085 0.000 1.148 1060 Y CB -0.491 38.023 38.460 0.090 0.000 0.981 1060 Y HN 0.130 nan 8.280 nan 0.000 0.507 1061 L N -0.160 121.054 121.223 -0.016 0.000 2.083 1061 L HA -0.209 4.208 4.340 0.129 0.000 0.209 1061 L C 2.591 179.400 176.870 -0.103 0.000 1.083 1061 L CA 1.504 56.280 54.840 -0.106 0.000 0.752 1061 L CB -0.466 41.600 42.059 0.012 0.000 0.899 1061 L HN 0.115 nan 8.230 nan 0.000 0.433 1062 R N -0.403 120.086 120.500 -0.020 0.000 2.148 1062 R HA -0.098 4.320 4.340 0.129 0.000 0.223 1062 R C 2.522 178.806 176.300 -0.027 0.000 1.088 1062 R CA 1.345 57.446 56.100 0.001 0.000 0.985 1062 R CB -0.231 30.112 30.300 0.072 0.000 0.880 1062 R HN 0.453 nan 8.270 nan 0.000 0.451 1063 S N 0.423 116.090 115.700 -0.055 0.000 2.453 1063 S HA -0.011 4.537 4.470 0.129 0.000 0.231 1063 S C 1.808 176.343 174.600 -0.108 0.000 1.005 1063 S CA 0.601 58.766 58.200 -0.058 0.000 0.949 1063 S CB -0.107 63.077 63.200 -0.026 0.000 0.774 1063 S HN 0.237 nan 8.310 nan 0.000 0.510 1064 L N 0.310 121.421 121.223 -0.187 0.000 2.492 1064 L HA 0.236 4.653 4.340 0.129 0.000 0.223 1064 L C 1.238 178.042 176.870 -0.110 0.000 1.132 1064 L CA -0.035 54.697 54.840 -0.181 0.000 0.850 1064 L CB -0.218 41.677 42.059 -0.274 0.000 0.966 1064 L HN 0.117 nan 8.230 nan 0.000 0.454 1065 R N 1.666 122.115 120.500 -0.084 0.000 2.590 1065 R HA 0.125 4.543 4.340 0.129 0.000 0.274 1065 R C -2.005 174.268 176.300 -0.045 0.000 1.061 1065 R CA -1.488 54.576 56.100 -0.060 0.000 1.081 1065 R CB -0.075 30.201 30.300 -0.041 0.000 0.984 1065 R HN -0.077 nan 8.270 nan 0.000 0.448 1066 P HA 0.086 nan 4.420 nan 0.000 0.271 1066 P C -0.240 177.047 177.300 -0.022 0.000 1.220 1066 P CA 0.065 63.147 63.100 -0.031 0.000 0.768 1066 P CB 0.741 32.422 31.700 -0.032 0.000 0.848 1070 N N -0.307 118.389 118.700 -0.006 0.000 2.624 1070 N HA -0.188 4.629 4.740 0.129 0.000 0.222 1070 N C 0.311 175.817 175.510 -0.006 0.000 0.908 1070 N CA 1.800 54.846 53.050 -0.006 0.000 1.919 1070 N CB -1.204 37.280 38.487 -0.005 0.000 0.893 1070 N HN 0.813 nan 8.380 nan 0.000 0.549 1071 N N 2.851 121.548 118.700 -0.005 0.000 2.441 1071 N HA 0.126 4.943 4.740 0.129 0.000 0.251 1071 N C -1.950 173.555 175.510 -0.007 0.000 1.242 1071 N CA -0.298 52.749 53.050 -0.005 0.000 0.898 1071 N CB 0.424 38.909 38.487 -0.003 0.000 1.100 1071 N HN 0.271 nan 8.380 nan 0.000 0.443 1072 P HA 0.137 nan 4.420 nan 0.000 0.274 1072 P C -0.733 176.561 177.300 -0.012 0.000 1.231 1072 P CA -0.220 62.874 63.100 -0.010 0.000 0.790 1072 P CB 1.136 32.831 31.700 -0.008 0.000 0.951 1073 V N 2.814 122.718 119.914 -0.016 0.000 2.876 1073 V HA 0.319 4.516 4.120 0.129 0.000 0.312 1073 V C -0.231 175.848 176.094 -0.025 0.000 1.085 1073 V CA -1.270 61.017 62.300 -0.021 0.000 0.945 1073 V CB 2.080 33.888 31.823 -0.026 0.000 1.017 1073 V HN 0.412 nan 8.190 nan 0.000 0.428 1074 L N 4.836 126.042 121.223 -0.029 0.000 2.453 1074 L HA 0.459 4.877 4.340 0.129 0.000 0.272 1074 L C 0.973 177.817 176.870 -0.044 0.000 1.182 1074 L CA 0.426 55.245 54.840 -0.035 0.000 0.858 1074 L CB 1.095 43.132 42.059 -0.038 0.000 1.120 1074 L HN 0.882 nan 8.230 nan 0.000 0.474 1075 A N 5.459 128.252 122.820 -0.044 0.000 2.466 1075 A HA 0.371 4.768 4.320 0.129 0.000 0.238 1075 A C -2.074 175.475 177.584 -0.059 0.000 1.074 1075 A CA -0.984 51.024 52.037 -0.048 0.000 0.774 1075 A CB -0.634 18.340 19.000 -0.044 0.000 1.015 1075 A HN 0.541 nan 8.150 nan 0.000 0.498 1076 P HA 0.235 nan 4.420 nan 0.000 0.268 1076 P C -2.385 174.874 177.300 -0.069 0.000 1.208 1076 P CA -0.553 62.502 63.100 -0.075 0.000 0.777 1076 P CB -0.502 31.150 31.700 -0.080 0.000 0.875 1077 P HA -0.011 nan 4.420 nan 0.000 0.261 1077 P C 0.001 177.269 177.300 -0.053 0.000 1.173 1077 P CA 0.230 63.297 63.100 -0.054 0.000 0.760 1077 P CB 0.079 31.759 31.700 -0.034 0.000 0.783 1078 S N 2.790 118.460 115.700 -0.050 0.000 2.584 1078 S HA 0.032 4.580 4.470 0.129 0.000 0.270 1078 S C 1.174 175.749 174.600 -0.043 0.000 1.346 1078 S CA -0.646 57.526 58.200 -0.046 0.000 1.018 1078 S CB 0.251 63.425 63.200 -0.044 0.000 0.899 1078 S HN 0.353 nan 8.310 nan 0.000 0.542 1079 L N 2.081 123.280 121.223 -0.041 0.000 2.043 1079 L HA -0.103 4.315 4.340 0.129 0.000 0.212 1079 L C 2.520 179.367 176.870 -0.038 0.000 1.075 1079 L CA 2.175 56.992 54.840 -0.039 0.000 0.752 1079 L CB -1.501 40.537 42.059 -0.034 0.000 0.891 1079 L HN 0.872 nan 8.230 nan 0.000 0.432 1080 S N -0.633 115.045 115.700 -0.037 0.000 2.370 1080 S HA -0.171 4.376 4.470 0.129 0.000 0.226 1080 S C 1.924 176.501 174.600 -0.038 0.000 1.033 1080 S CA 1.243 59.420 58.200 -0.039 0.000 1.011 1080 S CB -0.265 62.914 63.200 -0.035 0.000 0.852 1080 S HN 0.412 nan 8.310 nan 0.000 0.457 1081 K N 0.863 121.241 120.400 -0.036 0.000 2.097 1081 K HA 0.108 4.505 4.320 0.129 0.000 0.205 1081 K C 2.045 178.636 176.600 -0.014 0.000 1.050 1081 K CA 0.883 57.153 56.287 -0.028 0.000 0.938 1081 K CB -0.346 32.132 32.500 -0.037 0.000 0.718 1081 K HN 0.442 nan 8.250 nan 0.000 0.442 1082 M N 0.116 119.702 119.600 -0.023 0.000 2.156 1082 M HA -0.075 4.483 4.480 0.129 0.000 0.264 1082 M C 2.232 178.515 176.300 -0.029 0.000 1.067 1082 M CA 1.339 56.625 55.300 -0.023 0.000 1.131 1082 M CB -0.344 32.233 32.600 -0.038 0.000 1.368 1082 M HN 0.016 nan 8.290 nan 0.000 0.416 1083 I N -0.017 120.530 120.570 -0.039 0.000 2.315 1083 I HA -0.280 3.967 4.170 0.129 0.000 0.248 1083 I C 2.622 178.697 176.117 -0.070 0.000 1.117 1083 I CA 1.133 62.403 61.300 -0.050 0.000 1.404 1083 I CB -0.372 37.592 38.000 -0.060 0.000 1.071 1083 I HN 0.297 nan 8.210 nan 0.000 0.419 1084 Q N 1.013 120.774 119.800 -0.065 0.000 2.084 1084 Q HA -0.199 4.219 4.340 0.129 0.000 0.202 1084 Q C 2.193 178.172 176.000 -0.036 0.000 0.978 1084 Q CA 1.965 57.725 55.803 -0.071 0.000 0.844 1084 Q CB -0.183 28.539 28.738 -0.027 0.000 0.898 1084 Q HN 0.418 nan 8.270 nan 0.000 0.426 1085 M N -0.896 118.706 119.600 0.003 0.000 2.099 1085 M HA -0.127 4.430 4.480 0.129 0.000 0.262 1085 M C 2.166 178.495 176.300 0.047 0.000 1.067 1085 M CA 1.432 56.752 55.300 0.034 0.000 1.124 1085 M CB -0.474 32.154 32.600 0.046 0.000 1.353 1085 M HN 0.342 nan 8.290 nan 0.000 0.410 1086 A N 0.692 123.538 122.820 0.042 0.000 1.883 1086 A HA -0.113 4.284 4.320 0.129 0.000 0.217 1086 A C 2.342 180.064 177.584 0.230 0.000 1.186 1086 A CA 2.123 54.252 52.037 0.154 0.000 0.624 1086 A CB -1.619 17.444 19.000 0.105 0.000 0.822 1086 A HN 0.557 nan 8.150 nan 0.000 0.444 1087 G N -0.851 107.953 108.800 0.006 0.000 2.432 1087 G HA2 -0.170 3.868 3.960 0.129 0.000 0.219 1087 G HA3 -0.170 3.868 3.960 0.129 0.000 0.219 1087 G C 1.439 176.287 174.900 -0.085 0.000 1.135 1087 G CA 1.024 46.037 45.100 -0.144 0.000 0.767 1087 G HN 0.667 nan 8.290 nan 0.000 0.550 1088 E N -0.054 120.085 120.200 -0.101 0.000 2.046 1088 E HA -0.023 4.405 4.350 0.129 0.000 0.190 1088 E C 2.496 179.045 176.600 -0.084 0.000 0.982 1088 E CA 0.553 56.803 56.400 -0.250 0.000 0.800 1088 E CB -0.108 29.555 29.700 -0.062 0.000 0.756 1088 E HN 0.475 nan 8.360 nan 0.000 0.449 1089 I N 1.240 121.859 120.570 0.082 0.000 2.179 1089 I HA -0.271 3.977 4.170 0.129 0.000 0.242 1089 I C 2.542 178.703 176.117 0.073 0.000 1.088 1089 I CA 1.104 62.496 61.300 0.152 0.000 1.357 1089 I CB -0.321 37.856 38.000 0.295 0.000 1.051 1089 I HN 0.076 nan 8.210 nan 0.000 0.409 1090 A N 0.171 123.045 122.820 0.090 0.000 1.933 1090 A HA -0.305 4.092 4.320 0.129 0.000 0.218 1090 A C 1.975 179.525 177.584 -0.056 0.000 1.175 1090 A CA 2.390 54.323 52.037 -0.173 0.000 0.628 1090 A CB -0.779 18.105 19.000 -0.194 0.000 0.814 1090 A HN 0.486 nan 8.150 nan 0.000 0.444 1091 D N -0.938 119.514 120.400 0.086 0.000 2.117 1091 D HA -0.015 4.703 4.640 0.129 0.000 0.198 1091 D C 2.006 178.423 176.300 0.195 0.000 0.982 1091 D CA 1.525 55.673 54.000 0.247 0.000 0.828 1091 D CB -0.359 40.631 40.800 0.317 0.000 0.967 1091 D HN 0.301 nan 8.370 nan 0.000 0.464 1092 G N -0.027 108.829 108.800 0.094 0.000 2.422 1092 G HA2 -0.216 3.822 3.960 0.129 0.000 0.218 1092 G HA3 -0.216 3.822 3.960 0.129 0.000 0.218 1092 G C 1.505 176.348 174.900 -0.094 0.000 1.146 1092 G CA 0.600 45.723 45.100 0.038 0.000 0.769 1092 G HN 0.171 nan 8.290 nan 0.000 0.547 1093 M N 1.043 120.467 119.600 -0.294 0.000 2.200 1093 M HA 0.162 4.719 4.480 0.129 0.000 0.265 1093 M C 2.981 178.996 176.300 -0.475 0.000 1.066 1093 M CA 1.061 55.983 55.300 -0.631 0.000 1.127 1093 M CB -1.128 30.527 32.600 -1.575 0.000 1.379 1093 M HN 0.306 nan 8.290 nan 0.000 0.420 1094 A N -1.015 121.671 122.820 -0.222 0.000 1.972 1094 A HA -0.215 4.183 4.320 0.129 0.000 0.219 1094 A C 2.147 179.614 177.584 -0.194 0.000 1.169 1094 A CA 1.286 53.377 52.037 0.089 0.000 0.635 1094 A CB -1.054 18.195 19.000 0.415 0.000 0.810 1094 A HN 0.520 nan 8.150 nan 0.000 0.446 1095 Y N 0.399 120.354 120.300 -0.576 0.000 2.163 1095 Y HA -0.131 4.496 4.550 0.128 0.000 0.288 1095 Y C 1.948 177.543 175.900 -0.509 0.000 1.136 1095 Y CA 1.848 59.315 58.100 -1.055 0.000 1.147 1095 Y CB -0.246 37.839 38.460 -0.625 0.000 0.987 1095 Y HN 0.206 nan 8.280 nan 0.000 0.509 1096 L N 0.654 121.727 121.223 -0.250 0.000 2.046 1096 L HA -0.279 4.139 4.340 0.129 0.000 0.208 1096 L C 2.566 179.396 176.870 -0.067 0.000 1.077 1096 L CA 1.878 56.602 54.840 -0.193 0.000 0.747 1096 L CB -0.813 41.157 42.059 -0.149 0.000 0.896 1096 L HN 0.442 nan 8.230 nan 0.000 0.432 1097 N N 0.469 119.130 118.700 -0.064 0.000 2.120 1097 N HA -0.190 4.627 4.740 0.129 0.000 0.188 1097 N C 1.847 177.343 175.510 -0.023 0.000 1.024 1097 N CA 1.331 54.392 53.050 0.019 0.000 0.852 1097 N CB 0.115 38.671 38.487 0.115 0.000 1.003 1097 N HN 0.313 nan 8.380 nan 0.000 0.424 1098 A N 0.767 123.516 122.820 -0.119 0.000 2.015 1098 A HA -0.035 4.363 4.320 0.129 0.000 0.219 1098 A C 1.593 179.105 177.584 -0.120 0.000 1.163 1098 A CA 0.842 52.821 52.037 -0.096 0.000 0.646 1098 A CB -0.279 18.648 19.000 -0.121 0.000 0.806 1098 A HN 0.411 nan 8.150 nan 0.000 0.448 1099 N N -0.135 118.461 118.700 -0.172 0.000 2.313 1099 N HA 0.066 4.884 4.740 0.129 0.000 0.207 1099 N C -0.571 175.026 175.510 0.145 0.000 1.141 1099 N CA 0.278 53.319 53.050 -0.014 0.000 0.830 1099 N CB 0.161 38.636 38.487 -0.020 0.000 1.008 1099 N HN 0.429 nan 8.380 nan 0.000 0.481 1100 K N -0.601 119.817 120.400 0.030 0.000 3.230 1100 K HA -0.178 4.220 4.320 0.129 0.000 0.285 1100 K C -0.820 175.678 176.600 -0.169 0.000 1.196 1100 K CA 0.646 56.890 56.287 -0.072 0.000 0.838 1100 K CB -1.764 30.657 32.500 -0.132 0.000 1.262 1100 K HN 0.108 nan 8.250 nan 0.000 0.492 1101 F N -0.054 119.884 119.950 -0.019 0.000 2.450 1101 F HA 0.451 5.055 4.527 0.128 0.000 0.332 1101 F C 0.633 176.415 175.800 -0.029 0.000 1.093 1101 F CA -0.978 57.009 58.000 -0.022 0.000 1.003 1101 F CB 1.570 40.568 39.000 -0.003 0.000 1.151 1101 F HN -0.293 nan 8.300 nan 0.000 0.474 1102 V N 3.827 123.824 119.914 0.139 0.000 2.378 1102 V HA 0.121 4.319 4.120 0.129 0.000 0.288 1102 V C 0.917 177.064 176.094 0.088 0.000 1.016 1102 V CA -0.565 61.804 62.300 0.114 0.000 0.840 1102 V CB 1.070 32.940 31.823 0.079 0.000 0.994 1102 V HN 0.849 nan 8.190 nan 0.000 0.431 1103 H N 5.319 124.403 119.070 0.024 0.000 2.321 1103 H HA -0.077 4.554 4.556 0.126 0.000 0.300 1103 H C 1.638 176.902 175.328 -0.106 0.000 1.087 1103 H CA 2.329 58.343 56.048 -0.056 0.000 1.319 1103 H CB 0.386 30.164 29.762 0.027 0.000 1.379 1103 H HN 0.736 nan 8.280 nan 0.000 0.501 1104 R N -1.180 119.379 120.500 0.099 0.000 3.870 1104 R HA -0.189 4.229 4.340 0.129 0.000 0.463 1104 R C -0.099 176.179 176.300 -0.037 0.000 0.790 1104 R CA 1.470 57.452 56.100 -0.198 0.000 1.576 1104 R CB -1.443 28.483 30.300 -0.622 0.000 2.233 1104 R HN 0.316 nan 8.270 nan 0.000 0.463 1105 D N 0.428 121.001 120.400 0.287 0.000 2.908 1105 D HA 0.165 4.883 4.640 0.129 0.000 0.361 1105 D C -0.984 175.463 176.300 0.245 0.000 1.416 1105 D CA -0.422 53.737 54.000 0.266 0.000 0.796 1105 D CB 0.305 41.227 40.800 0.203 0.000 1.185 1105 D HN 0.015 nan 8.370 nan 0.000 0.451 1106 L N 1.611 122.904 121.223 0.117 0.000 2.418 1106 L HA 0.558 4.975 4.340 0.129 0.000 0.274 1106 L C -0.400 176.483 176.870 0.021 0.000 1.135 1106 L CA 0.319 55.084 54.840 -0.126 0.000 0.870 1106 L CB 0.232 42.265 42.059 -0.043 0.000 1.154 1106 L HN 0.176 nan 8.230 nan 0.000 0.462 1107 A N 3.932 126.705 122.820 -0.078 0.000 2.601 1107 A HA 0.716 5.113 4.320 0.129 0.000 0.291 1107 A C 0.490 178.039 177.584 -0.058 0.000 1.075 1107 A CA -0.146 51.797 52.037 -0.156 0.000 0.671 1107 A CB 0.409 18.960 19.000 -0.749 0.000 1.277 1107 A HN 0.946 nan 8.150 nan 0.000 0.417 1108 A N 0.481 123.312 122.820 0.018 0.000 1.933 1108 A HA -0.132 4.266 4.320 0.129 0.000 0.218 1108 A C 1.946 179.504 177.584 -0.043 0.000 1.175 1108 A CA 1.993 54.047 52.037 0.027 0.000 0.628 1108 A CB -0.615 18.436 19.000 0.084 0.000 0.814 1108 A HN 1.063 nan 8.150 nan 0.000 0.444 1109 R N -0.881 119.516 120.500 -0.171 0.000 2.189 1109 R HA -0.016 4.401 4.340 0.129 0.000 0.223 1109 R C 0.351 176.642 176.300 -0.015 0.000 1.092 1109 R CA 1.520 57.517 56.100 -0.171 0.000 0.989 1109 R CB -0.398 29.655 30.300 -0.411 0.000 0.876 1109 R HN 0.339 nan 8.270 nan 0.000 0.457 1110 N N -0.016 118.674 118.700 -0.018 0.000 2.235 1110 N HA 0.118 4.936 4.740 0.129 0.000 0.209 1110 N C -0.849 174.690 175.510 0.049 0.000 1.122 1110 N CA -0.059 53.027 53.050 0.060 0.000 0.845 1110 N CB 0.612 39.180 38.487 0.135 0.000 1.004 1110 N HN 0.141 nan 8.380 nan 0.000 0.499 1111 C N 1.169 120.483 119.300 0.023 0.000 2.435 1111 C HA 0.586 5.123 4.460 0.129 0.000 0.333 1111 C C 0.055 175.055 174.990 0.017 0.000 1.202 1111 C CA -0.805 58.224 59.018 0.019 0.000 1.830 1111 C CB 1.243 29.000 27.740 0.029 0.000 2.326 1111 C HN 0.177 nan 8.230 nan 0.000 0.507 1112 M N 2.332 121.928 119.600 -0.006 0.000 2.598 1112 M HA 0.548 5.105 4.480 0.129 0.000 0.317 1112 M C -0.742 175.530 176.300 -0.047 0.000 1.179 1112 M CA -0.591 54.696 55.300 -0.021 0.000 0.936 1112 M CB 1.677 34.251 32.600 -0.043 0.000 1.713 1112 M HN 0.326 nan 8.290 nan 0.000 0.460 1113 V N 1.740 121.605 119.914 -0.082 0.000 2.384 1113 V HA 0.694 4.891 4.120 0.129 0.000 0.287 1113 V C 0.395 176.379 176.094 -0.184 0.000 1.020 1113 V CA -0.978 61.222 62.300 -0.167 0.000 0.850 1113 V CB 1.105 32.730 31.823 -0.330 0.000 0.987 1113 V HN 1.010 nan 8.190 nan 0.000 0.436 1114 A N 2.950 125.664 122.820 -0.175 0.000 2.259 1114 A HA 0.507 4.905 4.320 0.129 0.000 0.278 1114 A C 1.295 178.717 177.584 -0.269 0.000 1.107 1114 A CA 0.016 51.949 52.037 -0.172 0.000 0.828 1114 A CB 0.305 19.232 19.000 -0.122 0.000 1.111 1114 A HN 0.912 nan 8.150 nan 0.000 0.498 1115 E N 0.254 120.320 120.200 -0.223 0.000 2.097 1115 E HA -0.227 4.200 4.350 0.129 0.000 0.196 1115 E C 1.037 177.429 176.600 -0.347 0.000 1.000 1115 E CA 2.140 58.378 56.400 -0.270 0.000 0.804 1115 E CB -0.141 29.473 29.700 -0.144 0.000 0.740 1115 E HN 0.728 nan 8.360 nan 0.000 0.454 1116 D N -1.216 119.086 120.400 -0.163 0.000 2.324 1116 D HA -0.111 4.607 4.640 0.129 0.000 0.235 1116 D C 0.016 176.403 176.300 0.145 0.000 1.095 1116 D CA -0.006 53.994 54.000 0.001 0.000 0.871 1116 D CB -0.575 40.263 40.800 0.063 0.000 0.906 1116 D HN 0.348 nan 8.370 nan 0.000 0.522 1117 F N -1.339 118.573 119.950 -0.063 0.000 2.656 1117 F HA -0.239 4.365 4.527 0.128 0.000 0.381 1117 F C 0.393 176.141 175.800 -0.086 0.000 0.603 1117 F CA 0.809 58.735 58.000 -0.123 0.000 1.335 1117 F CB -2.569 36.378 39.000 -0.087 0.000 1.836 1117 F HN -0.113 nan 8.300 nan 0.000 0.290 1118 T N 2.243 116.848 114.554 0.086 0.000 2.853 1118 T HA 0.417 4.845 4.350 0.129 0.000 0.298 1118 T C 0.512 175.239 174.700 0.044 0.000 0.978 1118 T CA -0.179 61.984 62.100 0.106 0.000 1.152 1118 T CB 1.088 70.031 68.868 0.124 0.000 0.914 1118 T HN 0.052 nan 8.240 nan 0.000 0.539 1119 V N 5.287 125.248 119.914 0.080 0.000 2.509 1119 V HA 0.428 4.625 4.120 0.129 0.000 0.284 1119 V C 0.358 176.502 176.094 0.084 0.000 1.047 1119 V CA -0.403 61.925 62.300 0.048 0.000 0.952 1119 V CB 1.088 32.942 31.823 0.051 0.000 0.988 1119 V HN 0.767 nan 8.190 nan 0.000 0.469 1120 K N 3.630 124.047 120.400 0.029 0.000 2.482 1120 K HA 0.590 4.988 4.320 0.129 0.000 0.257 1120 K C -1.286 175.307 176.600 -0.011 0.000 0.969 1120 K CA -1.055 55.243 56.287 0.017 0.000 0.842 1120 K CB 2.276 34.738 32.500 -0.063 0.000 1.359 1120 K HN 0.337 nan 8.250 nan 0.000 0.441 1121 I N 2.584 123.138 120.570 -0.027 0.000 2.505 1121 I HA 0.046 4.293 4.170 0.129 0.000 0.287 1121 I C 1.174 177.232 176.117 -0.099 0.000 1.104 1121 I CA 0.331 61.611 61.300 -0.033 0.000 1.387 1121 I CB -0.384 37.605 38.000 -0.017 0.000 1.404 1121 I HN 0.704 nan 8.210 nan 0.000 0.528 1122 G N 4.966 113.728 108.800 -0.063 0.000 2.684 1122 G HA2 0.057 4.094 3.960 0.129 0.000 0.255 1122 G HA3 0.057 4.094 3.960 0.129 0.000 0.255 1122 G C -0.224 174.501 174.900 -0.292 0.000 1.219 1122 G CA -0.322 44.708 45.100 -0.117 0.000 0.901 1122 G HN 0.629 nan 8.290 nan 0.000 0.548 1123 D N -0.917 119.322 120.400 -0.268 0.000 2.382 1123 D HA 0.191 4.908 4.640 0.129 0.000 0.245 1123 D C 0.029 176.176 176.300 -0.256 0.000 1.120 1123 D CA -0.138 53.636 54.000 -0.377 0.000 0.890 1123 D CB 0.250 40.932 40.800 -0.196 0.000 1.201 1123 D HN 0.117 nan 8.370 nan 0.000 0.433 1124 F N 1.349 121.277 119.950 -0.038 0.000 2.443 1124 F HA 0.325 4.927 4.527 0.125 0.000 0.353 1124 F C 1.999 177.788 175.800 -0.018 0.000 1.101 1124 F CA -0.069 57.899 58.000 -0.054 0.000 1.226 1124 F CB 1.022 39.959 39.000 -0.105 0.000 1.140 1124 F HN 0.566 nan 8.300 nan 0.000 0.557 1125 G N 3.171 112.078 108.800 0.179 0.000 2.155 1125 G HA2 -0.288 3.749 3.960 0.129 0.000 0.257 1125 G HA3 -0.288 3.749 3.960 0.129 0.000 0.257 1125 G C 0.582 175.526 174.900 0.073 0.000 0.983 1125 G CA 0.013 45.169 45.100 0.094 0.000 0.676 1125 G HN 0.497 nan 8.290 nan 0.000 0.528 1126 M N 1.457 121.104 119.600 0.078 0.000 2.419 1126 M HA 0.160 4.717 4.480 0.129 0.000 0.252 1126 M C 1.144 177.482 176.300 0.064 0.000 1.143 1126 M CA 0.302 55.637 55.300 0.060 0.000 0.985 1126 M CB -0.887 31.738 32.600 0.041 0.000 1.489 1126 M HN 0.181 nan 8.290 nan 0.000 0.484 1127 T N 1.683 116.287 114.554 0.082 0.000 2.906 1127 T HA 0.394 4.821 4.350 0.129 0.000 0.320 1127 T C 1.276 176.053 174.700 0.128 0.000 1.088 1127 T CA 0.957 63.135 62.100 0.130 0.000 1.120 1127 T CB 0.473 69.429 68.868 0.148 0.000 1.000 1127 T HN 0.664 nan 8.240 nan 0.000 0.550 1128 R N 0.444 121.088 120.500 0.241 0.000 3.974 1128 R HA -0.243 4.175 4.340 0.129 0.000 0.376 1128 R C 1.350 177.631 176.300 -0.033 0.000 0.241 1128 R CA 2.617 58.801 56.100 0.140 0.000 1.218 1128 R CB -2.352 28.035 30.300 0.146 0.000 1.032 1128 R HN 1.279 nan 8.270 nan 0.000 0.547 1129 D N -0.203 120.149 120.400 -0.082 0.000 2.336 1129 D HA 0.576 5.293 4.640 0.129 0.000 0.229 1129 D C 1.925 178.157 176.300 -0.114 0.000 1.061 1129 D CA 1.970 55.928 54.000 -0.070 0.000 0.875 1129 D CB -0.429 40.334 40.800 -0.062 0.000 0.904 1129 D HN 1.959 nan 8.370 nan 0.000 0.525 1130 I N -1.302 119.100 120.570 -0.280 0.000 3.812 1130 I HA 0.437 4.684 4.170 0.129 0.000 0.320 1130 I C 0.707 176.616 176.117 -0.346 0.000 1.276 1130 I CA 0.003 61.096 61.300 -0.345 0.000 1.164 1130 I CB -1.208 36.535 38.000 -0.427 0.000 1.009 1130 I HN 0.433 nan 8.210 nan 0.000 0.431 1131 Y N 0.042 120.399 120.300 0.095 0.000 2.722 1131 Y HA 0.488 5.105 4.550 0.112 0.000 0.314 1131 Y C 1.481 177.505 175.900 0.206 0.000 1.008 1131 Y CA -1.066 57.111 58.100 0.129 0.000 1.294 1131 Y CB -0.482 38.041 38.460 0.105 0.000 1.231 1131 Y HN 0.463 nan 8.280 nan 0.000 0.558 1132 E N -0.425 119.933 120.200 0.264 0.000 2.150 1132 E HA -0.150 4.277 4.350 0.129 0.000 0.193 1132 E C 2.127 178.904 176.600 0.295 0.000 0.985 1132 E CA 1.751 58.307 56.400 0.260 0.000 0.814 1132 E CB -0.109 29.676 29.700 0.142 0.000 0.752 1132 E HN 0.512 nan 8.360 nan 0.000 0.466 1133 T N -0.789 113.914 114.554 0.250 0.000 2.962 1133 T HA -0.124 4.303 4.350 0.129 0.000 0.270 1133 T C 0.947 175.787 174.700 0.232 0.000 1.088 1133 T CA 1.105 63.339 62.100 0.223 0.000 1.127 1133 T CB -0.167 68.817 68.868 0.194 0.000 0.883 1133 T HN -0.073 nan 8.240 nan 0.000 0.493 1134 D N 0.294 120.818 120.400 0.208 0.000 2.363 1134 D HA 0.159 4.876 4.640 0.129 0.000 0.226 1134 D C -0.574 175.567 176.300 -0.266 0.000 1.020 1134 D CA 0.403 54.419 54.000 0.028 0.000 0.892 1134 D CB -0.125 40.505 40.800 -0.284 0.000 0.900 1134 D HN 0.560 nan 8.370 nan 0.000 0.531 1135 Y N -0.842 119.587 120.300 0.215 0.000 2.462 1135 Y HA 0.411 5.002 4.550 0.068 0.000 0.346 1135 Y C -0.848 175.207 175.900 0.258 0.000 0.976 1135 Y CA -1.436 56.787 58.100 0.205 0.000 1.044 1135 Y CB 1.616 40.152 38.460 0.127 0.000 1.230 1135 Y HN -0.235 nan 8.280 nan 0.000 0.455 1136 Y N 1.360 121.808 120.300 0.246 0.000 2.406 1136 Y HA 0.600 5.212 4.550 0.103 0.000 0.340 1136 Y C -0.149 175.835 175.900 0.140 0.000 0.975 1136 Y CA -1.259 56.937 58.100 0.160 0.000 1.056 1136 Y CB 1.176 39.707 38.460 0.118 0.000 1.210 1136 Y HN 0.590 nan 8.280 nan 0.000 0.448 1144 L N 2.323 123.715 121.223 0.282 0.000 2.386 1144 L HA 0.467 4.884 4.340 0.129 0.000 0.271 1144 L C -2.353 174.760 176.870 0.404 0.000 0.993 1144 L CA -1.362 53.687 54.840 0.349 0.000 0.819 1144 L CB 2.134 44.366 42.059 0.289 0.000 1.294 1144 L HN -0.013 nan 8.230 nan 0.000 0.414 1145 P HA 0.051 nan 4.420 nan 0.000 0.225 1145 P C 1.051 178.543 177.300 0.320 0.000 1.830 1145 P CA -0.346 62.837 63.100 0.139 0.000 1.051 1145 P CB 0.357 32.022 31.700 -0.060 0.000 1.929 1146 V N 1.616 121.699 119.914 0.282 0.000 2.317 1146 V HA -0.322 3.876 4.120 0.129 0.000 0.251 1146 V C 2.008 178.196 176.094 0.157 0.000 1.065 1146 V CA 1.568 63.989 62.300 0.201 0.000 1.049 1146 V CB -1.492 30.420 31.823 0.148 0.000 0.651 1146 V HN 0.204 nan 8.190 nan 0.000 0.450 1147 R N -1.287 119.336 120.500 0.205 0.000 2.280 1147 R HA 0.027 4.444 4.340 0.129 0.000 0.207 1147 R C 1.860 178.136 176.300 -0.040 0.000 1.043 1147 R CA 1.531 57.651 56.100 0.033 0.000 1.006 1147 R CB -0.196 30.000 30.300 -0.174 0.000 0.885 1147 R HN 0.659 nan 8.270 nan 0.000 0.467 1148 W N -0.311 121.102 121.300 0.188 0.000 3.008 1148 W HA 0.294 5.027 4.660 0.120 0.000 0.355 1148 W C 0.046 176.783 176.519 0.364 0.000 1.095 1148 W CA -0.517 56.992 57.345 0.274 0.000 1.738 1148 W CB 0.327 29.898 29.460 0.186 0.000 1.091 1148 W HN -0.000 nan 8.180 nan 0.000 0.574 1149 M N 1.085 120.913 119.600 0.380 0.000 2.249 1149 M HA 0.086 4.644 4.480 0.129 0.000 0.351 1149 M C 1.108 177.169 176.300 -0.399 0.000 1.180 1149 M CA 0.164 55.549 55.300 0.141 0.000 1.127 1149 M CB 1.333 34.006 32.600 0.121 0.000 1.546 1149 M HN -0.257 nan 8.290 nan 0.000 0.461 1150 S N 2.293 117.584 115.700 -0.681 0.000 2.593 1150 S HA 0.245 4.793 4.470 0.129 0.000 0.269 1150 S C -2.145 171.855 174.600 -1.001 0.000 1.334 1150 S CA -1.111 56.265 58.200 -1.373 0.000 1.015 1150 S CB 0.274 63.087 63.200 -0.646 0.000 0.912 1150 S HN 0.466 nan 8.310 nan 0.000 0.541 1151 P HA -0.140 nan 4.420 nan 0.000 0.218 1151 P C 1.632 178.628 177.300 -0.506 0.000 1.149 1151 P CA 1.218 63.876 63.100 -0.737 0.000 0.817 1151 P CB -0.061 31.044 31.700 -0.992 0.000 0.785 1152 E N -0.299 119.607 120.200 -0.490 0.000 2.106 1152 E HA -0.095 4.332 4.350 0.129 0.000 0.192 1152 E C 1.640 178.047 176.600 -0.323 0.000 0.984 1152 E CA 1.413 57.620 56.400 -0.322 0.000 0.806 1152 E CB -1.228 28.326 29.700 -0.243 0.000 0.750 1152 E HN 0.138 nan 8.360 nan 0.000 0.458 1153 S N 1.152 116.599 115.700 -0.422 0.000 2.402 1153 S HA 0.033 4.581 4.470 0.129 0.000 0.229 1153 S C 2.117 176.486 174.600 -0.385 0.000 1.021 1153 S CA 0.789 58.644 58.200 -0.575 0.000 0.974 1153 S CB -0.211 62.507 63.200 -0.803 0.000 0.800 1153 S HN 0.205 nan 8.310 nan 0.000 0.484 1154 L N 0.691 121.743 121.223 -0.286 0.000 2.217 1154 L HA -0.004 4.414 4.340 0.129 0.000 0.211 1154 L C 2.343 179.134 176.870 -0.132 0.000 1.107 1154 L CA 0.984 55.723 54.840 -0.168 0.000 0.783 1154 L CB -0.255 41.702 42.059 -0.169 0.000 0.919 1154 L HN 0.190 nan 8.230 nan 0.000 0.442 1155 K N 0.069 120.373 120.400 -0.159 0.000 2.029 1155 K HA -0.100 4.297 4.320 0.129 0.000 0.205 1155 K C 1.426 177.970 176.600 -0.094 0.000 1.042 1155 K CA 1.505 57.727 56.287 -0.109 0.000 0.949 1155 K CB 0.021 32.458 32.500 -0.105 0.000 0.740 1155 K HN 0.295 nan 8.250 nan 0.000 0.442 1156 D N -1.658 118.668 120.400 -0.123 0.000 2.441 1156 D HA 0.059 4.777 4.640 0.129 0.000 0.210 1156 D C 0.899 177.135 176.300 -0.107 0.000 1.102 1156 D CA 0.639 54.583 54.000 -0.095 0.000 0.840 1156 D CB 0.671 41.425 40.800 -0.077 0.000 0.990 1156 D HN 0.314 nan 8.370 nan 0.000 0.505 1157 G N 0.238 108.928 108.800 -0.182 0.000 2.153 1157 G HA2 -0.234 3.803 3.960 0.129 0.000 0.252 1157 G HA3 -0.234 3.803 3.960 0.129 0.000 0.252 1157 G C 0.027 174.779 174.900 -0.248 0.000 0.994 1157 G CA 0.371 45.353 45.100 -0.197 0.000 0.698 1157 G HN 0.385 nan 8.290 nan 0.000 0.521 1158 V N 0.535 120.267 119.914 -0.303 0.000 2.439 1158 V HA 0.722 4.920 4.120 0.129 0.000 0.282 1158 V C 0.021 175.921 176.094 -0.322 0.000 1.039 1158 V CA -0.480 61.716 62.300 -0.173 0.000 0.913 1158 V CB 1.098 32.877 31.823 -0.073 0.000 0.983 1158 V HN 0.220 nan 8.190 nan 0.000 0.460 1159 F N 2.844 122.806 119.950 0.021 0.000 2.482 1159 F HA 0.718 5.320 4.527 0.126 0.000 0.331 1159 F C 0.609 176.425 175.800 0.027 0.000 1.115 1159 F CA -0.436 57.587 58.000 0.039 0.000 0.955 1159 F CB 2.233 41.267 39.000 0.057 0.000 1.136 1159 F HN 0.597 nan 8.300 nan 0.000 0.452 1160 T N -2.733 111.934 114.554 0.190 0.000 2.742 1160 T HA 0.226 4.653 4.350 0.129 0.000 0.282 1160 T C 0.691 175.412 174.700 0.036 0.000 1.025 1160 T CA -0.344 61.779 62.100 0.039 0.000 1.020 1160 T CB 1.396 70.225 68.868 -0.066 0.000 1.317 1160 T HN 0.472 nan 8.240 nan 0.000 0.538 1161 T N -0.972 113.495 114.554 -0.145 0.000 2.915 1161 T HA -0.036 4.391 4.350 0.129 0.000 0.269 1161 T C 1.151 175.855 174.700 0.007 0.000 1.071 1161 T CA 1.322 63.409 62.100 -0.021 0.000 1.132 1161 T CB -0.810 68.026 68.868 -0.054 0.000 0.878 1161 T HN 0.575 nan 8.240 nan 0.000 0.479 1162 Y N 1.725 122.084 120.300 0.100 0.000 2.242 1162 Y HA 0.004 4.631 4.550 0.129 0.000 0.291 1162 Y C 3.010 178.993 175.900 0.139 0.000 1.137 1162 Y CA 0.921 59.059 58.100 0.063 0.000 1.181 1162 Y CB -1.029 37.459 38.460 0.048 0.000 0.989 1162 Y HN 0.327 nan 8.280 nan 0.000 0.527 1163 S N -0.770 115.112 115.700 0.303 0.000 2.428 1163 S HA -0.125 4.422 4.470 0.129 0.000 0.230 1163 S C 1.419 176.270 174.600 0.419 0.000 1.014 1163 S CA 1.127 59.514 58.200 0.311 0.000 0.957 1163 S CB -0.306 63.029 63.200 0.226 0.000 0.784 1163 S HN 0.302 nan 8.310 nan 0.000 0.499 1164 D N 1.637 122.274 120.400 0.394 0.000 2.144 1164 D HA 0.019 4.736 4.640 0.129 0.000 0.200 1164 D C 2.045 178.673 176.300 0.545 0.000 0.978 1164 D CA 0.699 54.994 54.000 0.492 0.000 0.833 1164 D CB -0.366 40.763 40.800 0.547 0.000 0.961 1164 D HN 0.310 nan 8.370 nan 0.000 0.470 1165 V N 0.873 120.919 119.914 0.219 0.000 2.358 1165 V HA -0.186 4.012 4.120 0.129 0.000 0.246 1165 V C 2.171 178.439 176.094 0.290 0.000 1.047 1165 V CA 1.175 63.441 62.300 -0.055 0.000 1.035 1165 V CB -0.429 31.199 31.823 -0.324 0.000 0.658 1165 V HN 0.399 nan 8.190 nan 0.000 0.452 1166 W N 1.106 122.543 121.300 0.227 0.000 2.335 1166 W HA -0.218 4.517 4.660 0.125 0.000 0.311 1166 W C 2.481 179.258 176.519 0.430 0.000 1.213 1166 W CA 2.174 59.718 57.345 0.333 0.000 1.274 1166 W CB -0.574 29.045 29.460 0.266 0.000 1.148 1166 W HN 0.319 nan 8.180 nan 0.000 0.498 1167 S N 0.680 116.806 115.700 0.710 0.000 2.382 1167 S HA -0.230 4.317 4.470 0.129 0.000 0.228 1167 S C 1.549 176.461 174.600 0.520 0.000 1.027 1167 S CA 1.595 60.181 58.200 0.644 0.000 0.991 1167 S CB -1.024 62.524 63.200 0.580 0.000 0.823 1167 S HN 0.349 nan 8.310 nan 0.000 0.469 1168 F N 2.572 122.732 119.950 0.350 0.000 2.171 1168 F HA -0.036 4.568 4.527 0.129 0.000 0.300 1168 F C 2.234 178.123 175.800 0.148 0.000 1.090 1168 F CA 1.283 59.450 58.000 0.278 0.000 1.293 1168 F CB -0.892 38.343 39.000 0.392 0.000 1.013 1168 F HN 0.218 nan 8.300 nan 0.000 0.486 1169 G N -0.084 108.753 108.800 0.063 0.000 2.422 1169 G HA2 -0.214 3.823 3.960 0.129 0.000 0.218 1169 G HA3 -0.214 3.823 3.960 0.129 0.000 0.218 1169 G C 1.638 176.553 174.900 0.025 0.000 1.146 1169 G CA 1.245 46.156 45.100 -0.315 0.000 0.769 1169 G HN 0.353 nan 8.290 nan 0.000 0.547 1170 V N 0.585 120.709 119.914 0.350 0.000 2.548 1170 V HA -0.125 4.073 4.120 0.129 0.000 0.249 1170 V C 2.956 179.233 176.094 0.306 0.000 1.055 1170 V CA 1.201 63.697 62.300 0.326 0.000 1.065 1170 V CB -0.274 31.585 31.823 0.061 0.000 0.681 1170 V HN 0.242 nan 8.190 nan 0.000 0.462 1171 V N 0.163 120.208 119.914 0.219 0.000 2.343 1171 V HA -0.242 3.956 4.120 0.129 0.000 0.247 1171 V C 2.352 178.444 176.094 -0.003 0.000 1.051 1171 V CA 1.893 64.270 62.300 0.129 0.000 1.036 1171 V CB -0.611 31.228 31.823 0.026 0.000 0.654 1171 V HN 0.443 nan 8.190 nan 0.000 0.451 1172 L N -1.538 119.577 121.223 -0.179 0.000 2.042 1172 L HA -0.221 4.196 4.340 0.129 0.000 0.210 1172 L C 2.336 179.212 176.870 0.010 0.000 1.076 1172 L CA 2.228 56.959 54.840 -0.181 0.000 0.749 1172 L CB -0.606 41.266 42.059 -0.311 0.000 0.893 1172 L HN 0.486 nan 8.230 nan 0.000 0.432 1173 W N 1.347 122.628 121.300 -0.031 0.000 2.363 1173 W HA -0.182 4.555 4.660 0.127 0.000 0.296 1173 W C 2.442 178.968 176.519 0.013 0.000 1.212 1173 W CA 1.591 58.970 57.345 0.057 0.000 1.260 1173 W CB 0.065 29.640 29.460 0.193 0.000 1.131 1173 W HN 0.093 nan 8.180 nan 0.000 0.530 1174 E N 0.030 120.406 120.200 0.294 0.000 2.077 1174 E HA -0.239 4.188 4.350 0.129 0.000 0.193 1174 E C 2.054 178.649 176.600 -0.010 0.000 0.989 1174 E CA 1.776 58.279 56.400 0.172 0.000 0.800 1174 E CB -0.441 29.430 29.700 0.286 0.000 0.746 1174 E HN 0.370 nan 8.360 nan 0.000 0.452 1175 I N 1.077 121.641 120.570 -0.011 0.000 2.179 1175 I HA -0.254 3.994 4.170 0.129 0.000 0.242 1175 I C 2.490 178.543 176.117 -0.108 0.000 1.088 1175 I CA 1.072 62.349 61.300 -0.038 0.000 1.357 1175 I CB -0.246 37.737 38.000 -0.028 0.000 1.051 1175 I HN 0.061 nan 8.210 nan 0.000 0.409 1176 A N 0.273 122.993 122.820 -0.168 0.000 2.015 1176 A HA -0.147 4.250 4.320 0.129 0.000 0.219 1176 A C 2.235 179.622 177.584 -0.327 0.000 1.163 1176 A CA 1.989 53.891 52.037 -0.225 0.000 0.646 1176 A CB -0.863 18.002 19.000 -0.225 0.000 0.806 1176 A HN 0.526 nan 8.150 nan 0.000 0.448 1177 T N -3.795 110.488 114.554 -0.452 0.000 3.069 1177 T HA 0.443 4.870 4.350 0.129 0.000 0.252 1177 T C 0.462 174.998 174.700 -0.273 0.000 1.053 1177 T CA 0.216 62.019 62.100 -0.495 0.000 0.964 1177 T CB -0.454 67.844 68.868 -0.950 0.000 1.005 1177 T HN 0.566 nan 8.240 nan 0.000 0.532 1178 L N 0.602 121.714 121.223 -0.185 0.000 3.533 1178 L HA -0.187 4.231 4.340 0.129 0.000 0.477 1178 L C 0.799 177.635 176.870 -0.057 0.000 1.306 1178 L CA 0.032 54.808 54.840 -0.107 0.000 0.850 1178 L CB -2.362 39.633 42.059 -0.107 0.000 1.654 1178 L HN 0.718 nan 8.230 nan 0.000 0.863 1179 A N -0.442 122.365 122.820 -0.021 0.000 2.667 1179 A HA -0.207 4.190 4.320 0.129 0.000 0.298 1179 A C 0.714 178.356 177.584 0.098 0.000 1.483 1179 A CA 1.649 53.727 52.037 0.068 0.000 0.738 1179 A CB -1.113 17.929 19.000 0.070 0.000 1.067 1179 A HN 0.683 nan 8.150 nan 0.000 0.451 1180 E N 0.127 120.367 120.200 0.066 0.000 2.374 1180 E HA 0.262 4.690 4.350 0.129 0.000 0.260 1180 E C 0.292 177.073 176.600 0.302 0.000 1.101 1180 E CA -0.658 55.819 56.400 0.128 0.000 0.907 1180 E CB 0.303 30.016 29.700 0.021 0.000 1.014 1180 E HN 0.518 nan 8.360 nan 0.000 0.427 1181 Q N 2.281 122.217 119.800 0.226 0.000 2.281 1181 Q HA 0.164 4.581 4.340 0.129 0.000 0.267 1181 Q C -2.239 173.778 176.000 0.029 0.000 1.053 1181 Q CA -1.713 54.183 55.803 0.156 0.000 0.905 1181 Q CB 0.332 29.142 28.738 0.121 0.000 1.195 1181 Q HN 0.193 nan 8.270 nan 0.000 0.398 1182 P HA -0.033 nan 4.420 nan 0.000 0.267 1182 P C -0.987 175.996 177.300 -0.528 0.000 1.205 1182 P CA 0.028 62.580 63.100 -0.913 0.000 0.765 1182 P CB 0.142 31.116 31.700 -1.210 0.000 0.828 1183 Y N -0.226 119.784 120.300 -0.483 0.000 3.477 1183 Y HA -0.279 4.346 4.550 0.124 0.000 0.216 1183 Y C 1.868 177.640 175.900 -0.214 0.000 1.296 1183 Y CA 0.673 58.570 58.100 -0.339 0.000 1.535 1183 Y CB -2.905 35.354 38.460 -0.336 0.000 1.482 1183 Y HN 0.452 nan 8.280 nan 0.000 0.597 1184 Q N 0.826 120.598 119.800 -0.047 0.000 2.118 1184 Q HA -0.233 4.184 4.340 0.129 0.000 0.211 1184 Q C 2.310 178.301 176.000 -0.015 0.000 0.998 1184 Q CA 2.121 57.925 55.803 0.001 0.000 0.872 1184 Q CB -0.458 28.305 28.738 0.043 0.000 0.925 1184 Q HN 0.797 nan 8.270 nan 0.000 0.414 1185 G N -0.397 108.379 108.800 -0.040 0.000 2.956 1185 G HA2 0.168 4.205 3.960 0.129 0.000 0.207 1185 G HA3 0.168 4.205 3.960 0.129 0.000 0.207 1185 G C 0.072 174.924 174.900 -0.080 0.000 1.162 1185 G CA -0.082 44.985 45.100 -0.054 0.000 0.796 1185 G HN 0.133 nan 8.290 nan 0.000 0.527 1186 L N 1.071 122.239 121.223 -0.090 0.000 2.362 1186 L HA 0.429 4.847 4.340 0.129 0.000 0.271 1186 L C 0.475 177.288 176.870 -0.096 0.000 1.002 1186 L CA -0.956 53.812 54.840 -0.119 0.000 0.818 1186 L CB 2.268 44.209 42.059 -0.197 0.000 1.298 1186 L HN 0.081 nan 8.230 nan 0.000 0.420 1187 S N 0.479 116.117 115.700 -0.103 0.000 2.614 1187 S HA 0.186 4.733 4.470 0.129 0.000 0.265 1187 S C 0.849 175.341 174.600 -0.180 0.000 1.303 1187 S CA -0.683 57.451 58.200 -0.110 0.000 1.000 1187 S CB 0.801 63.944 63.200 -0.095 0.000 0.935 1187 S HN 0.629 nan 8.310 nan 0.000 0.551 1188 N N 1.427 119.972 118.700 -0.258 0.000 2.094 1188 N HA -0.140 4.678 4.740 0.129 0.000 0.191 1188 N C 1.516 176.725 175.510 -0.501 0.000 1.023 1188 N CA 1.455 54.233 53.050 -0.453 0.000 0.857 1188 N CB -0.516 37.480 38.487 -0.817 0.000 1.013 1188 N HN 0.664 nan 8.380 nan 0.000 0.426 1189 E N 1.131 121.076 120.200 -0.424 0.000 2.106 1189 E HA -0.100 4.327 4.350 0.129 0.000 0.192 1189 E C 1.900 178.410 176.600 -0.150 0.000 0.984 1189 E CA 0.675 56.931 56.400 -0.240 0.000 0.806 1189 E CB -0.091 29.534 29.700 -0.125 0.000 0.750 1189 E HN 0.532 nan 8.360 nan 0.000 0.458 1190 Q N 0.103 119.816 119.800 -0.146 0.000 2.119 1190 Q HA -0.080 4.337 4.340 0.129 0.000 0.201 1190 Q C 2.336 178.259 176.000 -0.129 0.000 0.972 1190 Q CA 0.976 56.711 55.803 -0.114 0.000 0.847 1190 Q CB 0.108 28.773 28.738 -0.121 0.000 0.903 1190 Q HN 0.097 nan 8.270 nan 0.000 0.433 1191 V N 1.107 120.900 119.914 -0.203 0.000 2.295 1191 V HA -0.277 3.921 4.120 0.129 0.000 0.246 1191 V C 2.213 178.169 176.094 -0.230 0.000 1.049 1191 V CA 1.500 63.620 62.300 -0.299 0.000 1.024 1191 V CB -0.527 31.097 31.823 -0.332 0.000 0.648 1191 V HN 0.309 nan 8.190 nan 0.000 0.447 1192 L N -0.596 120.527 121.223 -0.167 0.000 1.971 1192 L HA -0.263 4.155 4.340 0.129 0.000 0.215 1192 L C 2.779 179.597 176.870 -0.086 0.000 1.072 1192 L CA 2.094 56.867 54.840 -0.113 0.000 0.758 1192 L CB -0.506 41.514 42.059 -0.065 0.000 0.889 1192 L HN 0.201 nan 8.230 nan 0.000 0.433 1193 R N -1.299 119.169 120.500 -0.052 0.000 2.073 1193 R HA -0.194 4.223 4.340 0.129 0.000 0.234 1193 R C 2.164 178.467 176.300 0.004 0.000 1.134 1193 R CA 1.802 57.891 56.100 -0.019 0.000 0.952 1193 R CB -0.680 29.619 30.300 -0.002 0.000 0.850 1193 R HN 0.178 nan 8.270 nan 0.000 0.433 1194 F N 0.738 120.599 119.950 -0.148 0.000 2.069 1194 F HA -0.250 4.354 4.527 0.128 0.000 0.298 1194 F C 1.938 177.660 175.800 -0.131 0.000 1.113 1194 F CA 1.555 59.468 58.000 -0.145 0.000 1.214 1194 F CB -0.380 38.500 39.000 -0.201 0.000 0.978 1194 F HN -0.233 nan 8.300 nan 0.000 0.474 1195 V N 0.590 120.382 119.914 -0.202 0.000 2.358 1195 V HA -0.337 3.861 4.120 0.129 0.000 0.246 1195 V C 2.441 178.448 176.094 -0.145 0.000 1.047 1195 V CA 2.210 64.370 62.300 -0.234 0.000 1.035 1195 V CB -0.640 31.033 31.823 -0.250 0.000 0.658 1195 V HN 0.385 nan 8.190 nan 0.000 0.452 1196 M N -0.605 118.929 119.600 -0.110 0.000 2.296 1196 M HA -0.157 4.400 4.480 0.129 0.000 0.265 1196 M C 1.869 178.219 176.300 0.082 0.000 1.064 1196 M CA 1.546 56.839 55.300 -0.013 0.000 1.109 1196 M CB -0.369 32.205 32.600 -0.043 0.000 1.396 1196 M HN 0.364 nan 8.290 nan 0.000 0.430 1197 E N -0.385 119.798 120.200 -0.029 0.000 2.489 1197 E HA 0.072 4.499 4.350 0.129 0.000 0.193 1197 E C 1.018 177.539 176.600 -0.131 0.000 1.057 1197 E CA 0.324 56.677 56.400 -0.078 0.000 0.866 1197 E CB 0.216 29.869 29.700 -0.079 0.000 0.916 1197 E HN 0.655 nan 8.360 nan 0.000 0.500 1198 G N 0.687 109.451 108.800 -0.059 0.000 2.148 1198 G HA2 -0.207 3.831 3.960 0.129 0.000 0.203 1198 G HA3 -0.207 3.831 3.960 0.129 0.000 0.203 1198 G C 0.449 175.238 174.900 -0.185 0.000 0.993 1198 G CA -0.407 44.671 45.100 -0.037 0.000 0.661 1198 G HN 0.449 nan 8.290 nan 0.000 0.518 1199 G N -0.320 108.149 108.800 -0.551 0.000 2.483 1199 G HA2 0.604 4.641 3.960 0.129 0.000 0.248 1199 G HA3 0.604 4.641 3.960 0.129 0.000 0.248 1199 G C 0.006 174.549 174.900 -0.595 0.000 1.248 1199 G CA -0.090 44.300 45.100 -1.183 0.000 0.838 1199 G HN 0.749 nan 8.290 nan 0.000 0.566 1200 L N 0.596 121.689 121.223 -0.216 0.000 2.350 1200 L HA 0.446 4.864 4.340 0.129 0.000 0.260 1200 L C 0.010 176.942 176.870 0.103 0.000 1.015 1200 L CA -1.027 53.794 54.840 -0.032 0.000 0.821 1200 L CB 2.092 44.168 42.059 0.029 0.000 1.370 1200 L HN 0.308 nan 8.230 nan 0.000 0.416 1201 L N 1.312 122.312 121.223 -0.371 0.000 2.456 1201 L HA 0.118 4.535 4.340 0.129 0.000 0.272 1201 L C -0.057 176.869 176.870 0.094 0.000 1.189 1201 L CA -0.166 54.390 54.840 -0.473 0.000 0.846 1201 L CB 0.241 41.532 42.059 -1.280 0.000 1.111 1201 L HN 0.493 nan 8.230 nan 0.000 0.475 1202 D N 2.278 122.769 120.400 0.152 0.000 2.357 1202 D HA 0.027 4.744 4.640 0.129 0.000 0.242 1202 D C 0.089 176.496 176.300 0.179 0.000 1.153 1202 D CA -0.152 53.956 54.000 0.179 0.000 0.918 1202 D CB 0.747 41.606 40.800 0.099 0.000 1.181 1202 D HN 0.299 nan 8.370 nan 0.000 0.435 1203 K N 1.923 122.131 120.400 -0.320 0.000 2.412 1203 K HA 0.141 4.539 4.320 0.129 0.000 0.284 1203 K C -2.294 174.140 176.600 -0.276 0.000 1.046 1203 K CA -1.108 54.717 56.287 -0.770 0.000 0.999 1203 K CB 0.273 32.020 32.500 -1.254 0.000 0.941 1203 K HN 0.071 nan 8.250 nan 0.000 0.474 1204 P HA -0.016 nan 4.420 nan 0.000 0.269 1204 P C -1.109 176.073 177.300 -0.196 0.000 1.215 1204 P CA -0.145 62.813 63.100 -0.237 0.000 0.780 1204 P CB 0.440 31.902 31.700 -0.396 0.000 0.898 1205 D N 2.806 123.105 120.400 -0.167 0.000 2.450 1205 D HA -0.031 4.687 4.640 0.129 0.000 0.247 1205 D C 0.752 176.977 176.300 -0.126 0.000 1.162 1205 D CA 0.547 54.469 54.000 -0.129 0.000 0.879 1205 D CB -0.129 40.608 40.800 -0.106 0.000 1.163 1205 D HN 0.391 nan 8.370 nan 0.000 0.472 1206 N N -0.335 118.303 118.700 -0.104 0.000 2.828 1206 N HA -0.210 4.608 4.740 0.129 0.000 0.248 1206 N C 0.066 175.522 175.510 -0.089 0.000 1.044 1206 N CA 0.409 53.406 53.050 -0.088 0.000 0.851 1206 N CB -1.887 36.552 38.487 -0.079 0.000 1.136 1206 N HN 0.477 nan 8.380 nan 0.000 0.572 1207 C N 2.979 122.215 119.300 -0.107 0.000 2.566 1207 C HA 0.344 4.881 4.460 0.129 0.000 0.393 1207 C C -1.713 173.246 174.990 -0.052 0.000 1.309 1207 C CA -1.256 57.709 59.018 -0.088 0.000 1.801 1207 C CB -0.375 27.302 27.740 -0.105 0.000 2.493 1207 C HN 0.171 nan 8.230 nan 0.000 0.575 1208 P HA 0.164 nan 4.420 nan 0.000 0.268 1208 P C 0.239 177.556 177.300 0.028 0.000 1.205 1208 P CA 0.256 63.350 63.100 -0.011 0.000 0.771 1208 P CB 0.560 32.250 31.700 -0.016 0.000 0.858 1209 D N 1.319 121.742 120.400 0.038 0.000 2.221 1209 D HA -0.178 4.540 4.640 0.129 0.000 0.204 1209 D C 1.633 177.981 176.300 0.081 0.000 0.982 1209 D CA 1.080 55.134 54.000 0.089 0.000 0.857 1209 D CB -0.360 40.478 40.800 0.064 0.000 0.934 1209 D HN 0.345 nan 8.370 nan 0.000 0.475 1210 M N -0.012 119.608 119.600 0.033 0.000 2.086 1210 M HA -0.129 4.429 4.480 0.129 0.000 0.261 1210 M C 1.881 178.177 176.300 -0.007 0.000 1.067 1210 M CA 1.207 56.510 55.300 0.006 0.000 1.116 1210 M CB -0.317 32.280 32.600 -0.006 0.000 1.348 1210 M HN 0.133 nan 8.290 nan 0.000 0.407 1211 L N 0.069 121.294 121.223 0.005 0.000 2.109 1211 L HA -0.133 4.285 4.340 0.129 0.000 0.207 1211 L C 2.172 179.033 176.870 -0.015 0.000 1.086 1211 L CA 1.478 56.308 54.840 -0.017 0.000 0.760 1211 L CB -0.871 41.177 42.059 -0.017 0.000 0.910 1211 L HN 0.308 nan 8.230 nan 0.000 0.437 1212 F N 0.713 120.606 119.950 -0.094 0.000 2.259 1212 F HA -0.064 4.539 4.527 0.128 0.000 0.298 1212 F C 2.407 178.133 175.800 -0.124 0.000 1.088 1212 F CA 1.592 59.535 58.000 -0.096 0.000 1.358 1212 F CB -0.590 38.397 39.000 -0.022 0.000 1.040 1212 F HN 0.221 nan 8.300 nan 0.000 0.505 1213 E N 0.544 120.658 120.200 -0.143 0.000 2.106 1213 E HA -0.187 4.241 4.350 0.129 0.000 0.192 1213 E C 1.928 178.364 176.600 -0.273 0.000 0.984 1213 E CA 1.436 57.715 56.400 -0.202 0.000 0.806 1213 E CB -1.209 28.448 29.700 -0.073 0.000 0.750 1213 E HN 0.434 nan 8.360 nan 0.000 0.458 1214 L N -0.337 120.745 121.223 -0.234 0.000 2.093 1214 L HA -0.007 4.411 4.340 0.129 0.000 0.208 1214 L C 2.607 179.230 176.870 -0.411 0.000 1.085 1214 L CA 2.007 56.712 54.840 -0.225 0.000 0.755 1214 L CB -0.281 41.705 42.059 -0.122 0.000 0.904 1214 L HN 0.414 nan 8.230 nan 0.000 0.435 1215 M N -1.315 117.901 119.600 -0.641 0.000 2.086 1215 M HA -0.215 4.343 4.480 0.129 0.000 0.261 1215 M C 2.398 177.858 176.300 -1.400 0.000 1.067 1215 M CA 1.665 56.219 55.300 -1.244 0.000 1.116 1215 M CB -0.400 31.373 32.600 -1.378 0.000 1.348 1215 M HN 0.149 nan 8.290 nan 0.000 0.407 1216 R N -0.099 119.842 120.500 -0.932 0.000 2.096 1216 R HA -0.099 4.318 4.340 0.129 0.000 0.235 1216 R C 2.125 178.240 176.300 -0.308 0.000 1.127 1216 R CA 1.455 57.247 56.100 -0.513 0.000 0.968 1216 R CB -0.325 29.706 30.300 -0.449 0.000 0.861 1216 R HN 0.419 nan 8.270 nan 0.000 0.440 1217 M N -0.499 118.914 119.600 -0.311 0.000 2.117 1217 M HA -0.208 4.349 4.480 0.129 0.000 0.262 1217 M C 2.419 178.618 176.300 -0.168 0.000 1.065 1217 M CA 1.424 56.615 55.300 -0.183 0.000 1.114 1217 M CB -0.191 32.316 32.600 -0.156 0.000 1.361 1217 M HN 0.243 nan 8.290 nan 0.000 0.408 1218 C N -1.067 118.052 119.300 -0.301 0.000 2.432 1218 C HA -0.121 4.416 4.460 0.129 0.000 0.280 1218 C C 1.663 176.571 174.990 -0.138 0.000 1.353 1218 C CA 0.128 59.002 59.018 -0.241 0.000 1.766 1218 C CB -1.068 26.458 27.740 -0.357 0.000 1.924 1218 C HN 0.655 nan 8.230 nan 0.000 0.509 1219 W N 0.895 121.990 121.300 -0.340 0.000 3.400 1219 W HA 0.273 5.011 4.660 0.130 0.000 0.347 1219 W C 0.580 177.079 176.519 -0.033 0.000 1.218 1219 W CA -0.490 56.525 57.345 -0.550 0.000 1.837 1219 W CB -1.158 27.842 29.460 -0.766 0.000 1.067 1219 W HN 0.400 nan 8.180 nan 0.000 0.701 1220 Q N 0.303 120.244 119.800 0.234 0.000 2.311 1220 Q HA -0.098 4.320 4.340 0.129 0.000 0.272 1220 Q C 1.004 177.205 176.000 0.336 0.000 1.012 1220 Q CA 0.160 56.100 55.803 0.228 0.000 0.891 1220 Q CB 0.822 29.630 28.738 0.116 0.000 1.201 1220 Q HN 0.301 nan 8.270 nan 0.000 0.391 1221 Y N 2.973 123.391 120.300 0.197 0.000 2.165 1221 Y HA -0.246 4.382 4.550 0.130 0.000 0.286 1221 Y C 1.053 176.991 175.900 0.063 0.000 1.155 1221 Y CA 1.543 59.724 58.100 0.136 0.000 1.164 1221 Y CB 0.305 38.797 38.460 0.055 0.000 0.978 1221 Y HN 0.576 nan 8.280 nan 0.000 0.513 1222 N N 1.436 120.251 118.700 0.193 0.000 2.420 1222 N HA 0.019 4.836 4.740 0.129 0.000 0.262 1222 N C -1.856 173.644 175.510 -0.017 0.000 1.144 1222 N CA -1.722 51.368 53.050 0.068 0.000 0.952 1222 N CB 1.047 39.565 38.487 0.051 0.000 1.081 1222 N HN 0.112 nan 8.380 nan 0.000 0.480 1223 P HA -0.146 nan 4.420 nan 0.000 0.218 1223 P C 0.474 177.526 177.300 -0.413 0.000 1.148 1223 P CA 1.402 64.418 63.100 -0.138 0.000 0.822 1223 P CB 0.427 32.077 31.700 -0.084 0.000 0.784 1224 K N -1.169 118.970 120.400 -0.435 0.000 2.365 1224 K HA 0.057 4.454 4.320 0.129 0.000 0.199 1224 K C 1.983 178.450 176.600 -0.222 0.000 1.045 1224 K CA 0.810 56.824 56.287 -0.455 0.000 0.962 1224 K CB -0.241 32.084 32.500 -0.292 0.000 0.759 1224 K HN 0.091 nan 8.250 nan 0.000 0.469 1225 M N 0.562 120.088 119.600 -0.124 0.000 2.541 1225 M HA 0.043 4.600 4.480 0.129 0.000 0.252 1225 M C 0.272 176.552 176.300 -0.034 0.000 1.125 1225 M CA 0.644 55.912 55.300 -0.053 0.000 1.091 1225 M CB -0.190 32.404 32.600 -0.011 0.000 1.420 1225 M HN -0.043 nan 8.290 nan 0.000 0.486 1226 R N 1.690 122.170 120.500 -0.034 0.000 2.490 1226 R HA 0.208 4.626 4.340 0.129 0.000 0.280 1226 R C -2.091 174.194 176.300 -0.025 0.000 1.077 1226 R CA -1.288 54.808 56.100 -0.007 0.000 1.065 1226 R CB -0.144 30.188 30.300 0.053 0.000 1.003 1226 R HN 0.048 nan 8.270 nan 0.000 0.470 1227 P HA 0.017 nan 4.420 nan 0.000 0.274 1227 P C -0.571 176.676 177.300 -0.088 0.000 1.231 1227 P CA -0.424 62.645 63.100 -0.052 0.000 0.790 1227 P CB 1.077 32.739 31.700 -0.063 0.000 0.951 1228 S N 0.707 116.383 115.700 -0.039 0.000 2.624 1228 S HA 0.187 4.735 4.470 0.129 0.000 0.263 1228 S C 1.067 175.597 174.600 -0.117 0.000 1.287 1228 S CA -0.301 57.869 58.200 -0.050 0.000 0.990 1228 S CB -0.166 63.078 63.200 0.074 0.000 0.950 1228 S HN 0.232 nan 8.310 nan 0.000 0.561 1229 F N 0.263 120.216 119.950 0.004 0.000 2.216 1229 F HA 0.034 4.637 4.527 0.127 0.000 0.300 1229 F C 2.050 177.863 175.800 0.022 0.000 1.085 1229 F CA 0.963 58.919 58.000 -0.073 0.000 1.326 1229 F CB -0.752 38.207 39.000 -0.068 0.000 1.027 1229 F HN 0.438 nan 8.300 nan 0.000 0.497 1230 L N -0.470 120.928 121.223 0.292 0.000 2.093 1230 L HA -0.204 4.214 4.340 0.129 0.000 0.208 1230 L C 2.447 179.467 176.870 0.250 0.000 1.085 1230 L CA 1.494 56.541 54.840 0.345 0.000 0.755 1230 L CB -0.594 41.641 42.059 0.293 0.000 0.904 1230 L HN 0.145 nan 8.230 nan 0.000 0.435 1231 E N 0.525 120.803 120.200 0.130 0.000 2.106 1231 E HA -0.206 4.221 4.350 0.129 0.000 0.192 1231 E C 2.282 178.892 176.600 0.016 0.000 0.984 1231 E CA 0.918 57.358 56.400 0.067 0.000 0.806 1231 E CB 0.053 29.772 29.700 0.032 0.000 0.750 1231 E HN 0.440 nan 8.360 nan 0.000 0.458 1232 I N 0.568 121.130 120.570 -0.014 0.000 2.202 1232 I HA -0.286 3.962 4.170 0.129 0.000 0.242 1232 I C 2.191 178.274 176.117 -0.056 0.000 1.091 1232 I CA 0.984 62.257 61.300 -0.045 0.000 1.368 1232 I CB -0.154 37.776 38.000 -0.118 0.000 1.058 1232 I HN 0.161 nan 8.210 nan 0.000 0.410 1233 I N -0.285 120.237 120.570 -0.082 0.000 2.163 1233 I HA -0.328 3.920 4.170 0.129 0.000 0.243 1233 I C 2.744 178.661 176.117 -0.333 0.000 1.085 1233 I CA 1.439 62.597 61.300 -0.236 0.000 1.347 1233 I CB -0.537 37.258 38.000 -0.342 0.000 1.044 1233 I HN 0.180 nan 8.210 nan 0.000 0.408 1234 S N 0.622 116.176 115.700 -0.242 0.000 2.374 1234 S HA -0.231 4.317 4.470 0.129 0.000 0.227 1234 S C 2.236 176.807 174.600 -0.050 0.000 1.037 1234 S CA 2.094 60.240 58.200 -0.089 0.000 1.024 1234 S CB -0.410 62.845 63.200 0.092 0.000 0.861 1234 S HN 0.635 nan 8.310 nan 0.000 0.456 1235 S N 1.135 116.809 115.700 -0.044 0.000 2.453 1235 S HA 0.033 4.581 4.470 0.129 0.000 0.231 1235 S C 1.598 176.172 174.600 -0.044 0.000 1.005 1235 S CA 0.836 59.018 58.200 -0.031 0.000 0.949 1235 S CB -0.691 62.493 63.200 -0.026 0.000 0.774 1235 S HN 0.837 nan 8.310 nan 0.000 0.510 1236 I N -1.541 118.982 120.570 -0.077 0.000 4.154 1236 I HA 0.356 4.603 4.170 0.129 0.000 0.334 1236 I C 1.690 177.731 176.117 -0.126 0.000 1.371 1236 I CA -0.452 60.793 61.300 -0.091 0.000 1.110 1236 I CB 0.052 37.999 38.000 -0.089 0.000 1.085 1236 I HN 0.115 nan 8.210 nan 0.000 0.398 1237 K N 1.624 121.953 120.400 -0.117 0.000 2.160 1237 K HA -0.168 4.229 4.320 0.129 0.000 0.206 1237 K C 1.234 177.840 176.600 0.008 0.000 1.047 1237 K CA 2.010 58.265 56.287 -0.054 0.000 0.930 1237 K CB -0.381 32.145 32.500 0.043 0.000 0.720 1237 K HN 0.316 nan 8.250 nan 0.000 0.450 1238 E N 0.895 121.100 120.200 0.007 0.000 2.204 1238 E HA -0.100 4.328 4.350 0.129 0.000 0.194 1238 E C 1.556 178.146 176.600 -0.016 0.000 0.989 1238 E CA 0.974 57.382 56.400 0.014 0.000 0.824 1238 E CB 0.085 29.794 29.700 0.014 0.000 0.756 1238 E HN 0.356 nan 8.360 nan 0.000 0.477 1239 E N -0.455 119.715 120.200 -0.050 0.000 2.474 1239 E HA 0.051 4.478 4.350 0.129 0.000 0.194 1239 E C 0.242 176.787 176.600 -0.092 0.000 1.041 1239 E CA 0.175 56.538 56.400 -0.062 0.000 0.874 1239 E CB 0.126 29.789 29.700 -0.062 0.000 0.914 1239 E HN 0.235 nan 8.360 nan 0.000 0.498 1240 M N 0.965 120.481 119.600 -0.140 0.000 2.241 1240 M HA 0.125 4.682 4.480 0.129 0.000 0.335 1240 M C 0.580 176.841 176.300 -0.065 0.000 1.122 1240 M CA -0.146 55.033 55.300 -0.201 0.000 1.164 1240 M CB 0.067 32.379 32.600 -0.481 0.000 1.459 1240 M HN -0.132 nan 8.290 nan 0.000 0.461 1241 E N 2.361 122.550 120.200 -0.019 0.000 2.437 1241 E HA -0.029 4.398 4.350 0.129 0.000 0.263 1241 E C -1.472 175.163 176.600 0.059 0.000 1.030 1241 E CA -1.201 55.218 56.400 0.032 0.000 0.934 1241 E CB 0.247 29.983 29.700 0.061 0.000 0.943 1241 E HN 0.374 nan 8.360 nan 0.000 0.444 1242 P HA -0.171 nan 4.420 nan 0.000 0.218 1242 P C 1.188 178.493 177.300 0.008 0.000 1.146 1242 P CA 1.229 64.336 63.100 0.010 0.000 0.813 1242 P CB 0.122 31.821 31.700 -0.002 0.000 0.778 1243 G N -1.304 107.519 108.800 0.037 0.000 2.448 1243 G HA2 -0.274 3.763 3.960 0.129 0.000 0.219 1243 G HA3 -0.274 3.763 3.960 0.129 0.000 0.219 1243 G C 1.313 176.238 174.900 0.041 0.000 1.127 1243 G CA 0.033 45.145 45.100 0.021 0.000 0.766 1243 G HN 0.197 nan 8.290 nan 0.000 0.552 1244 F N 1.624 121.555 119.950 -0.032 0.000 2.126 1244 F HA -0.069 4.535 4.527 0.128 0.000 0.299 1244 F C 2.744 178.510 175.800 -0.057 0.000 1.096 1244 F CA 1.434 59.449 58.000 0.025 0.000 1.255 1244 F CB -0.020 39.015 39.000 0.058 0.000 0.997 1244 F HN 0.023 nan 8.300 nan 0.000 0.479 1245 R N 0.016 120.380 120.500 -0.226 0.000 2.241 1245 R HA -0.146 4.272 4.340 0.129 0.000 0.224 1245 R C 1.664 177.775 176.300 -0.315 0.000 1.101 1245 R CA 1.631 57.327 56.100 -0.674 0.000 0.995 1245 R CB -0.298 29.592 30.300 -0.684 0.000 0.870 1245 R HN 0.481 nan 8.270 nan 0.000 0.463 1246 E N -0.655 119.430 120.200 -0.192 0.000 2.389 1246 E HA -0.049 4.379 4.350 0.129 0.000 0.199 1246 E C 1.674 178.183 176.600 -0.152 0.000 0.978 1246 E CA 0.580 56.899 56.400 -0.134 0.000 0.912 1246 E CB 0.712 30.346 29.700 -0.109 0.000 0.907 1246 E HN 0.222 nan 8.360 nan 0.000 0.494 1247 V N -1.189 118.595 119.914 -0.217 0.000 3.379 1247 V HA 0.135 4.332 4.120 0.129 0.000 0.249 1247 V C 1.051 177.018 176.094 -0.211 0.000 1.184 1247 V CA -0.029 62.083 62.300 -0.312 0.000 1.106 1247 V CB 0.221 31.639 31.823 -0.674 0.000 0.826 1247 V HN 0.096 nan 8.190 nan 0.000 0.465 1248 S N 0.272 115.833 115.700 -0.232 0.000 2.584 1248 S HA 0.238 4.786 4.470 0.129 0.000 0.270 1248 S C 0.688 175.324 174.600 0.061 0.000 1.346 1248 S CA 0.297 58.401 58.200 -0.159 0.000 1.018 1248 S CB 0.596 63.275 63.200 -0.869 0.000 0.899 1248 S HN 0.537 nan 8.310 nan 0.000 0.542 1249 F N 1.781 121.789 119.950 0.097 0.000 2.206 1249 F HA -0.006 4.599 4.527 0.130 0.000 0.298 1249 F C 1.926 177.812 175.800 0.144 0.000 1.090 1249 F CA 0.964 59.060 58.000 0.161 0.000 1.323 1249 F CB -0.737 38.433 39.000 0.284 0.000 1.028 1249 F HN 0.799 nan 8.300 nan 0.000 0.492 1250 Y N -0.156 120.033 120.300 -0.185 0.000 2.151 1250 Y HA -0.334 4.293 4.550 0.129 0.000 0.284 1250 Y C 1.608 177.260 175.900 -0.413 0.000 1.166 1250 Y CA 2.357 60.274 58.100 -0.306 0.000 1.163 1250 Y CB -0.679 37.752 38.460 -0.049 0.000 0.974 1250 Y HN 0.171 nan 8.280 nan 0.000 0.511 1251 Y N -0.304 119.938 120.300 -0.097 0.000 2.466 1251 Y HA 0.116 4.743 4.550 0.129 0.000 0.272 1251 Y C 1.431 177.242 175.900 -0.147 0.000 1.169 1251 Y CA 0.109 58.148 58.100 -0.102 0.000 1.285 1251 Y CB -0.159 38.292 38.460 -0.015 0.000 1.078 1251 Y HN -0.001 nan 8.280 nan 0.000 0.523 1252 S N 0.025 115.678 115.700 -0.078 0.000 2.614 1252 S HA 0.000 4.548 4.470 0.129 0.000 0.265 1252 S C 1.280 175.817 174.600 -0.105 0.000 1.303 1252 S CA -0.204 57.963 58.200 -0.054 0.000 1.000 1252 S CB 1.286 64.494 63.200 0.013 0.000 0.935 1252 S HN 0.543 nan 8.310 nan 0.000 0.551 1253 E N 0.148 120.327 120.200 -0.035 0.000 2.268 1253 E HA -0.096 4.332 4.350 0.129 0.000 0.195 1253 E C 1.835 178.419 176.600 -0.026 0.000 0.995 1253 E CA 1.225 57.605 56.400 -0.033 0.000 0.836 1253 E CB -0.709 28.990 29.700 -0.001 0.000 0.763 1253 E HN 0.853 nan 8.360 nan 0.000 0.491 1254 E N 1.674 121.889 120.200 0.024 0.000 2.153 1254 E HA -0.182 4.245 4.350 0.129 0.000 0.194 1254 E C 1.098 177.734 176.600 0.060 0.000 0.988 1254 E CA 1.271 57.749 56.400 0.131 0.000 0.811 1254 E CB -0.906 29.011 29.700 0.361 0.000 0.746 1254 E HN 0.377 nan 8.360 nan 0.000 0.466 1255 N N 1.075 119.598 118.700 -0.295 0.000 2.448 1255 N HA 0.137 4.954 4.740 0.129 0.000 0.250 1255 N C -0.455 174.915 175.510 -0.234 0.000 1.136 1255 N CA 0.013 52.792 53.050 -0.451 0.000 0.953 1255 N CB -0.053 37.819 38.487 -1.024 0.000 1.251 1255 N HN 0.578 nan 8.380 nan 0.000 0.502 1256 K N 0.000 120.347 120.400 -0.088 0.000 2.780 1256 K HA 0.000 4.398 4.320 0.129 0.000 0.191 1256 K CA 0.000 56.249 56.287 -0.064 0.000 0.838 1256 K CB 0.000 32.476 32.500 -0.040 0.000 1.064 1256 K HN 0.000 nan 8.250 nan 0.000 0.543