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 1p4o_1_B DATA FIRST_RESID 947 DATA SEQUENCE NPEYFSAADV YVPDEWEVAR EKITMSRELG QGSFGMVYEG VAKGVVKDEP DATA SEQUENCE ETRVAIKTVN EAASMRERIE FLNEASVMKE FNCHHVVRLL GVVSQGQPTL DATA SEQUENCE VIMELMTRGD LKSYLRSLRP AMANNPVLAP PSLSKMIQMA GEIADGMAYL DATA SEQUENCE NANKFVHRDL AARNCMVAED FTVKIGDFGM TRDIYETDYY RKGGKGLLPV DATA SEQUENCE RWMSPESLKD GVFTTYSDVW SFGVVLWEIA TLAEQPYQGL SNEQVLRFVM DATA SEQUENCE EGGLLDKPDN CPDMLFELMR MCWQYNPKMR PSFLEIISSI KEEMEPGFRE DATA SEQUENCE VSFYYSEENK LPEP 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 947 N HA 0.000 nan 4.740 nan 0.000 0.220 947 N C 0.000 175.532 175.510 0.036 0.000 1.280 947 N CA 0.000 53.071 53.050 0.036 0.000 0.885 947 N CB 0.000 38.522 38.487 0.058 0.000 1.341 948 P HA 0.077 nan 4.420 nan 0.000 0.310 948 P C -0.165 177.149 177.300 0.023 0.000 1.512 948 P CA 1.080 64.192 63.100 0.019 0.000 0.753 948 P CB 0.135 31.842 31.700 0.013 0.000 1.608 949 E N -2.858 117.362 120.200 0.034 0.000 2.920 949 E HA 0.011 4.361 4.350 0.001 0.000 0.103 949 E C 0.429 177.044 176.600 0.024 0.000 1.669 949 E CA -0.593 55.828 56.400 0.034 0.000 0.977 949 E CB -0.490 29.237 29.700 0.045 0.000 1.816 949 E HN -0.198 nan 8.360 nan 0.000 0.671 950 Y N 0.683 120.893 120.300 -0.151 0.000 2.038 950 Y HA -0.194 4.356 4.550 0.001 0.000 0.266 950 Y C 0.505 176.190 175.900 -0.358 0.000 1.220 950 Y CA 2.177 60.079 58.100 -0.330 0.000 1.107 950 Y CB -0.058 38.087 38.460 -0.524 0.000 0.932 950 Y HN 0.156 nan 8.280 nan 0.000 0.500 951 F N -0.004 119.995 119.950 0.082 0.000 2.427 951 F HA 0.400 4.928 4.527 0.001 0.000 0.348 951 F C 0.161 175.965 175.800 0.006 0.000 1.125 951 F CA -0.469 57.533 58.000 0.004 0.000 0.989 951 F CB 1.302 40.336 39.000 0.057 0.000 1.165 951 F HN -0.179 nan 8.300 nan 0.000 0.442 952 S N 2.059 117.853 115.700 0.156 0.000 2.732 952 S HA 0.899 5.370 4.470 0.001 0.000 0.293 952 S C -0.599 174.035 174.600 0.056 0.000 1.159 952 S CA -1.108 57.143 58.200 0.084 0.000 0.847 952 S CB 1.458 64.684 63.200 0.043 0.000 1.169 952 S HN 0.706 nan 8.310 nan 0.000 0.501 953 A N 0.428 123.268 122.820 0.033 0.000 2.351 953 A HA 0.741 5.061 4.320 0.001 0.000 0.257 953 A C 0.693 178.285 177.584 0.013 0.000 1.087 953 A CA -0.134 51.913 52.037 0.017 0.000 0.798 953 A CB -0.534 18.471 19.000 0.007 0.000 1.033 953 A HN 1.604 nan 8.150 nan 0.000 0.488 954 A N 1.014 123.838 122.820 0.007 0.000 2.366 954 A HA 0.415 4.736 4.320 0.001 0.000 0.249 954 A C -0.159 177.433 177.584 0.013 0.000 1.084 954 A CA -0.336 51.706 52.037 0.008 0.000 0.794 954 A CB 0.045 19.046 19.000 0.002 0.000 1.034 954 A HN 0.721 nan 8.150 nan 0.000 0.491 955 D N 1.267 121.677 120.400 0.017 0.000 2.608 955 D HA 0.352 4.992 4.640 0.001 0.000 0.224 955 D C -0.107 176.215 176.300 0.038 0.000 1.123 955 D CA 0.506 54.522 54.000 0.027 0.000 1.030 955 D CB -0.219 40.595 40.800 0.024 0.000 1.093 955 D HN 0.494 nan 8.370 nan 0.000 0.497 956 V N -1.114 118.827 119.914 0.045 0.000 3.114 956 V HA 0.604 4.725 4.120 0.001 0.000 0.308 956 V C -1.429 174.724 176.094 0.098 0.000 1.168 956 V CA -1.195 61.141 62.300 0.059 0.000 1.015 956 V CB 2.470 34.306 31.823 0.021 0.000 1.050 956 V HN 0.112 nan 8.190 nan 0.000 0.433 957 Y N 1.596 121.892 120.300 -0.006 0.000 2.346 957 Y HA 0.780 5.331 4.550 0.001 0.000 0.332 957 Y C -0.905 174.994 175.900 -0.001 0.000 0.985 957 Y CA -0.807 57.287 58.100 -0.010 0.000 1.112 957 Y CB 2.142 40.597 38.460 -0.008 0.000 1.170 957 Y HN 0.675 nan 8.280 nan 0.000 0.447 958 V N 8.677 128.181 119.914 -0.683 0.000 2.333 958 V HA 0.350 4.470 4.120 0.001 0.000 0.274 958 V C -2.156 173.577 176.094 -0.602 0.000 1.028 958 V CA -1.976 60.056 62.300 -0.445 0.000 0.851 958 V CB 0.816 32.478 31.823 -0.268 0.000 1.000 958 V HN 0.723 nan 8.190 nan 0.000 0.456 959 P HA 0.190 nan 4.420 nan 0.000 0.266 959 P C -0.848 176.431 177.300 -0.035 0.000 1.195 959 P CA 0.133 63.222 63.100 -0.017 0.000 0.768 959 P CB 0.597 32.357 31.700 0.100 0.000 0.838 960 D N 0.333 120.768 120.400 0.058 0.000 2.989 960 D HA 0.077 4.717 4.640 0.001 0.000 0.284 960 D C 0.927 177.285 176.300 0.096 0.000 1.212 960 D CA -0.513 53.528 54.000 0.068 0.000 1.055 960 D CB -0.208 40.649 40.800 0.095 0.000 1.351 960 D HN 0.308 nan 8.370 nan 0.000 0.611 961 E N -0.264 119.968 120.200 0.054 0.000 2.333 961 E HA -0.157 4.194 4.350 0.001 0.000 0.198 961 E C 0.949 177.470 176.600 -0.131 0.000 1.007 961 E CA 0.770 57.126 56.400 -0.074 0.000 0.845 961 E CB -0.490 29.100 29.700 -0.183 0.000 0.766 961 E HN 0.567 nan 8.360 nan 0.000 0.507 962 W N 1.677 122.993 121.300 0.027 0.000 3.047 962 W HA 0.151 4.811 4.660 0.001 0.000 0.250 962 W C 0.740 177.285 176.519 0.044 0.000 1.314 962 W CA -0.297 57.068 57.345 0.033 0.000 1.540 962 W CB 0.124 29.608 29.460 0.041 0.000 1.127 962 W HN -0.028 nan 8.180 nan 0.000 0.679 963 E N 0.793 121.129 120.200 0.228 0.000 2.376 963 E HA 0.178 4.529 4.350 0.001 0.000 0.266 963 E C -0.626 176.032 176.600 0.096 0.000 1.009 963 E CA 0.178 56.678 56.400 0.166 0.000 0.902 963 E CB 0.595 30.381 29.700 0.142 0.000 0.972 963 E HN -0.230 nan 8.360 nan 0.000 0.439 964 V N 3.903 123.868 119.914 0.086 0.000 2.495 964 V HA 0.592 4.712 4.120 0.001 0.000 0.298 964 V C 0.009 176.126 176.094 0.038 0.000 1.031 964 V CA -0.780 61.551 62.300 0.051 0.000 0.871 964 V CB 1.596 33.451 31.823 0.053 0.000 0.988 964 V HN 0.897 nan 8.190 nan 0.000 0.432 965 A N 4.043 126.877 122.820 0.023 0.000 2.477 965 A HA 0.274 4.594 4.320 0.001 0.000 0.246 965 A C 1.329 178.920 177.584 0.011 0.000 1.078 965 A CA -0.011 52.036 52.037 0.017 0.000 0.770 965 A CB -0.100 18.905 19.000 0.009 0.000 1.011 965 A HN 0.947 nan 8.150 nan 0.000 0.494 966 R N 0.747 121.251 120.500 0.008 0.000 2.193 966 R HA -0.152 4.189 4.340 0.001 0.000 0.229 966 R C 0.999 177.294 176.300 -0.007 0.000 1.110 966 R CA 1.882 57.982 56.100 -0.001 0.000 0.988 966 R CB -0.043 30.253 30.300 -0.006 0.000 0.871 966 R HN 0.897 nan 8.270 nan 0.000 0.458 967 E N 0.038 120.235 120.200 -0.005 0.000 2.338 967 E HA -0.128 4.223 4.350 0.001 0.000 0.197 967 E C 0.962 177.557 176.600 -0.007 0.000 1.007 967 E CA 0.981 57.377 56.400 -0.007 0.000 0.849 967 E CB 0.196 29.892 29.700 -0.005 0.000 0.774 967 E HN 0.249 nan 8.360 nan 0.000 0.506 968 K N 0.042 120.439 120.400 -0.004 0.000 2.417 968 K HA 0.215 4.535 4.320 0.001 0.000 0.196 968 K C -0.043 176.555 176.600 -0.004 0.000 1.023 968 K CA 0.123 56.408 56.287 -0.004 0.000 1.122 968 K CB 0.544 33.043 32.500 -0.001 0.000 0.850 968 K HN 0.111 nan 8.250 nan 0.000 0.521 969 I N 0.793 121.357 120.570 -0.009 0.000 2.646 969 I HA 0.206 4.377 4.170 0.001 0.000 0.299 969 I C -0.092 176.009 176.117 -0.026 0.000 1.036 969 I CA -0.908 60.383 61.300 -0.014 0.000 1.074 969 I CB 2.261 40.251 38.000 -0.016 0.000 1.258 969 I HN -0.078 nan 8.210 nan 0.000 0.430 970 T N 2.292 116.828 114.554 -0.029 0.000 2.933 970 T HA 0.593 4.943 4.350 0.001 0.000 0.305 970 T C -0.721 173.949 174.700 -0.049 0.000 1.092 970 T CA -0.984 61.093 62.100 -0.038 0.000 1.008 970 T CB 1.705 70.558 68.868 -0.024 0.000 1.102 970 T HN 0.253 nan 8.240 nan 0.000 0.469 971 M N 2.684 122.235 119.600 -0.082 0.000 2.209 971 M HA 0.443 4.924 4.480 0.001 0.000 0.355 971 M C 0.640 176.920 176.300 -0.033 0.000 1.171 971 M CA -0.614 54.623 55.300 -0.104 0.000 1.069 971 M CB 1.132 33.568 32.600 -0.274 0.000 1.622 971 M HN 0.854 nan 8.290 nan 0.000 0.459 972 S N 2.602 118.316 115.700 0.023 0.000 2.444 972 S HA 0.253 4.724 4.470 0.001 0.000 0.223 972 S C 0.498 175.144 174.600 0.076 0.000 1.054 972 S CA 0.219 58.444 58.200 0.041 0.000 0.947 972 S CB 0.586 63.809 63.200 0.038 0.000 0.850 972 S HN 0.781 nan 8.310 nan 0.000 0.527 973 R N 0.750 121.331 120.500 0.135 0.000 2.712 973 R HA 0.417 4.758 4.340 0.001 0.000 0.272 973 R C -2.003 174.413 176.300 0.192 0.000 1.032 973 R CA -0.820 55.369 56.100 0.148 0.000 0.874 973 R CB 0.928 31.271 30.300 0.072 0.000 1.256 973 R HN -0.007 nan 8.270 nan 0.000 0.468 974 E N 1.136 121.388 120.200 0.087 0.000 2.383 974 E HA 0.134 4.485 4.350 0.001 0.000 0.264 974 E C 0.142 176.677 176.600 -0.108 0.000 1.050 974 E CA -0.171 56.136 56.400 -0.153 0.000 0.896 974 E CB 1.174 30.752 29.700 -0.203 0.000 0.982 974 E HN 0.445 nan 8.360 nan 0.000 0.424 975 L N 0.940 122.066 121.223 -0.161 0.000 2.609 975 L HA 0.323 4.663 4.340 0.001 0.000 0.230 975 L C 0.834 177.648 176.870 -0.094 0.000 1.064 975 L CA 0.176 54.965 54.840 -0.086 0.000 0.873 975 L CB 0.571 42.598 42.059 -0.054 0.000 1.139 975 L HN 0.746 nan 8.230 nan 0.000 0.490 976 G N -0.011 108.701 108.800 -0.145 0.000 2.345 976 G HA2 0.059 4.019 3.960 0.001 0.000 0.310 976 G HA3 0.059 4.019 3.960 0.001 0.000 0.310 976 G C -1.782 173.043 174.900 -0.125 0.000 1.476 976 G CA -0.790 44.241 45.100 -0.115 0.000 0.978 976 G HN -0.150 nan 8.290 nan 0.000 0.656 977 Q N 0.066 119.807 119.800 -0.097 0.000 2.297 977 Q HA 0.571 4.912 4.340 0.001 0.000 0.267 977 Q C 0.737 176.708 176.000 -0.048 0.000 1.006 977 Q CA 1.055 56.810 55.803 -0.080 0.000 0.896 977 Q CB 0.882 29.580 28.738 -0.067 0.000 1.186 977 Q HN 1.158 nan 8.270 nan 0.000 0.392 978 G N 1.547 110.332 108.800 -0.025 0.000 2.552 978 G HA2 0.328 4.289 3.960 0.001 0.000 0.318 978 G HA3 0.328 4.289 3.960 0.001 0.000 0.318 978 G C 0.311 175.227 174.900 0.027 0.000 1.240 978 G CA -0.323 44.789 45.100 0.019 0.000 1.002 978 G HN 0.695 nan 8.290 nan 0.000 0.493 979 S N -0.705 115.028 115.700 0.054 0.000 2.370 979 S HA -0.109 4.361 4.470 0.001 0.000 0.226 979 S C 1.770 176.280 174.600 -0.150 0.000 1.033 979 S CA 1.502 59.666 58.200 -0.059 0.000 1.011 979 S CB -0.302 62.855 63.200 -0.070 0.000 0.852 979 S HN 0.444 nan 8.310 nan 0.000 0.457 980 F N 0.883 120.872 119.950 0.065 0.000 2.698 980 F HA 0.393 4.920 4.527 0.001 0.000 0.295 980 F C 1.431 177.174 175.800 -0.096 0.000 1.124 980 F CA 0.467 58.465 58.000 -0.003 0.000 1.426 980 F CB 0.381 39.394 39.000 0.021 0.000 1.120 980 F HN 0.330 nan 8.300 nan 0.000 0.583 981 G N -0.524 108.327 108.800 0.086 0.000 2.324 981 G HA2 0.276 4.237 3.960 0.001 0.000 0.293 981 G HA3 0.276 4.237 3.960 0.001 0.000 0.293 981 G C -1.543 173.352 174.900 -0.008 0.000 1.297 981 G CA -1.153 43.953 45.100 0.010 0.000 0.853 981 G HN -0.148 nan 8.290 nan 0.000 0.535 982 M N 0.569 120.143 119.600 -0.044 0.000 2.250 982 M HA 0.501 4.981 4.480 0.001 0.000 0.337 982 M C -0.068 176.126 176.300 -0.177 0.000 1.161 982 M CA 0.080 55.276 55.300 -0.172 0.000 1.088 982 M CB 0.737 33.164 32.600 -0.289 0.000 1.639 982 M HN 0.475 nan 8.290 nan 0.000 0.447 983 V N 6.697 126.458 119.914 -0.254 0.000 2.547 983 V HA 0.502 4.622 4.120 0.001 0.000 0.299 983 V C -0.891 175.040 176.094 -0.272 0.000 1.040 983 V CA -0.539 61.687 62.300 -0.124 0.000 0.913 983 V CB 1.286 33.073 31.823 -0.060 0.000 0.992 983 V HN 0.816 nan 8.190 nan 0.000 0.449 984 Y N 1.082 121.382 120.300 0.000 0.000 2.602 984 Y HA 0.560 5.111 4.550 0.001 0.000 0.342 984 Y C 0.139 176.037 175.900 -0.003 0.000 1.029 984 Y CA -0.882 57.217 58.100 -0.002 0.000 1.080 984 Y CB 1.727 40.186 38.460 -0.001 0.000 1.284 984 Y HN 0.594 nan 8.280 nan 0.000 0.485 985 E N 0.407 120.716 120.200 0.182 0.000 2.191 985 E HA 0.683 5.033 4.350 0.001 0.000 0.274 985 E C -0.607 176.047 176.600 0.091 0.000 0.948 985 E CA -0.467 55.991 56.400 0.096 0.000 0.802 985 E CB 1.534 31.269 29.700 0.058 0.000 1.137 985 E HN 0.870 nan 8.360 nan 0.000 0.397 986 G N 1.306 110.137 108.800 0.053 0.000 2.650 986 G HA2 0.479 4.439 3.960 0.001 0.000 0.310 986 G HA3 0.479 4.439 3.960 0.001 0.000 0.310 986 G C -1.491 173.418 174.900 0.016 0.000 1.270 986 G CA -0.417 44.699 45.100 0.028 0.000 0.810 986 G HN 0.437 nan 8.290 nan 0.000 0.493 987 V N -0.028 119.889 119.914 0.006 0.000 2.709 987 V HA 0.819 4.939 4.120 0.001 0.000 0.308 987 V C -0.135 175.961 176.094 0.003 0.000 1.062 987 V CA -0.342 61.961 62.300 0.005 0.000 0.901 987 V CB 1.411 33.235 31.823 0.002 0.000 1.003 987 V HN 1.524 nan 8.190 nan 0.000 0.425 988 A N 3.927 126.751 122.820 0.006 0.000 2.393 988 A HA 0.803 5.124 4.320 0.001 0.000 0.306 988 A C -0.669 176.918 177.584 0.004 0.000 1.050 988 A CA -0.805 51.236 52.037 0.007 0.000 0.724 988 A CB 1.355 20.365 19.000 0.015 0.000 1.248 988 A HN 0.779 nan 8.150 nan 0.000 0.424 989 K N 0.676 121.076 120.400 0.001 0.000 2.143 989 K HA 0.535 4.855 4.320 0.001 0.000 0.272 989 K C 0.844 177.441 176.600 -0.005 0.000 1.001 989 K CA 0.260 56.545 56.287 -0.003 0.000 0.915 989 K CB 1.283 33.780 32.500 -0.005 0.000 1.047 989 K HN 1.599 nan 8.250 nan 0.000 0.458 990 G N 0.964 109.758 108.800 -0.009 0.000 2.273 990 G HA2 -0.238 3.722 3.960 0.001 0.000 0.280 990 G HA3 -0.238 3.722 3.960 0.001 0.000 0.280 990 G C 0.437 175.324 174.900 -0.022 0.000 1.047 990 G CA 0.548 45.637 45.100 -0.018 0.000 0.869 990 G HN 0.509 nan 8.290 nan 0.000 0.502 991 V N -4.196 115.711 119.914 -0.011 0.000 3.661 991 V HA 0.616 4.736 4.120 0.001 0.000 0.271 991 V C 0.786 176.874 176.094 -0.009 0.000 1.315 991 V CA 0.440 62.736 62.300 -0.007 0.000 1.072 991 V CB 0.824 32.660 31.823 0.021 0.000 0.830 991 V HN 0.485 nan 8.190 nan 0.000 0.443 992 V N 1.128 121.036 119.914 -0.010 0.000 2.588 992 V HA 0.378 4.499 4.120 0.001 0.000 0.304 992 V C -0.020 176.065 176.094 -0.015 0.000 1.042 992 V CA -1.135 61.161 62.300 -0.007 0.000 0.877 992 V CB 1.945 33.770 31.823 0.004 0.000 0.996 992 V HN 0.397 nan 8.190 nan 0.000 0.425 993 K N 3.349 123.738 120.400 -0.019 0.000 2.484 993 K HA -0.003 4.317 4.320 0.001 0.000 0.280 993 K C 0.346 176.938 176.600 -0.013 0.000 1.013 993 K CA 0.710 56.984 56.287 -0.021 0.000 1.029 993 K CB 0.091 32.578 32.500 -0.021 0.000 0.902 993 K HN 0.833 nan 8.250 nan 0.000 0.481 994 D N 1.877 122.268 120.400 -0.014 0.000 3.077 994 D HA -0.183 4.457 4.640 0.001 0.000 0.217 994 D C -0.831 175.465 176.300 -0.007 0.000 1.162 994 D CA 1.200 55.194 54.000 -0.010 0.000 0.943 994 D CB -0.610 40.185 40.800 -0.008 0.000 1.122 994 D HN 0.681 nan 8.370 nan 0.000 0.413 995 E N -0.275 119.920 120.200 -0.007 0.000 2.141 995 E HA 0.220 4.570 4.350 0.001 0.000 0.259 995 E C -1.757 174.839 176.600 -0.006 0.000 0.883 995 E CA -1.819 54.578 56.400 -0.004 0.000 0.744 995 E CB 1.742 31.441 29.700 -0.001 0.000 1.150 995 E HN -0.134 nan 8.360 nan 0.000 0.420 996 P HA -0.213 nan 4.420 nan 0.000 0.214 996 P C -0.476 176.821 177.300 -0.004 0.000 1.163 996 P CA 1.415 64.511 63.100 -0.005 0.000 0.889 996 P CB 0.233 31.931 31.700 -0.004 0.000 0.790 997 E N -2.902 117.296 120.200 -0.002 0.000 2.367 997 E HA 0.581 4.932 4.350 0.001 0.000 0.273 997 E C -1.281 175.320 176.600 0.002 0.000 0.903 997 E CA -0.907 55.493 56.400 -0.001 0.000 0.764 997 E CB 1.709 31.409 29.700 -0.001 0.000 1.252 997 E HN -0.302 nan 8.360 nan 0.000 0.446 998 T N 1.186 115.742 114.554 0.004 0.000 2.893 998 T HA 0.405 4.755 4.350 0.001 0.000 0.293 998 T C -0.501 174.203 174.700 0.007 0.000 1.027 998 T CA -0.890 61.214 62.100 0.005 0.000 0.988 998 T CB 1.233 70.106 68.868 0.008 0.000 1.043 998 T HN 0.339 nan 8.240 nan 0.000 0.461 999 R N 1.558 122.061 120.500 0.005 0.000 2.389 999 R HA 0.575 4.916 4.340 0.001 0.000 0.295 999 R C 0.039 176.344 176.300 0.007 0.000 1.075 999 R CA -0.429 55.675 56.100 0.006 0.000 1.005 999 R CB 0.533 30.835 30.300 0.003 0.000 0.987 999 R HN 0.528 nan 8.270 nan 0.000 0.452 1000 V N -1.196 118.726 119.914 0.013 0.000 3.160 1000 V HA 0.877 4.998 4.120 0.001 0.000 0.310 1000 V C -0.739 175.369 176.094 0.023 0.000 1.181 1000 V CA -1.304 61.005 62.300 0.015 0.000 1.047 1000 V CB 1.999 33.834 31.823 0.020 0.000 1.068 1000 V HN 0.785 nan 8.190 nan 0.000 0.441 1001 A N 1.838 124.668 122.820 0.018 0.000 2.305 1001 A HA 0.908 5.228 4.320 0.001 0.000 0.322 1001 A C -0.570 177.039 177.584 0.042 0.000 1.187 1001 A CA -0.652 51.401 52.037 0.026 0.000 0.825 1001 A CB 0.501 19.500 19.000 -0.001 0.000 1.164 1001 A HN 0.914 nan 8.150 nan 0.000 0.498 1002 I N 2.579 123.201 120.570 0.086 0.000 2.411 1002 I HA 0.245 4.416 4.170 0.001 0.000 0.284 1002 I C -0.208 176.003 176.117 0.158 0.000 1.012 1002 I CA -0.328 61.037 61.300 0.108 0.000 1.119 1002 I CB 1.772 39.835 38.000 0.106 0.000 1.261 1002 I HN 0.603 nan 8.210 nan 0.000 0.448 1003 K N 4.577 125.060 120.400 0.139 0.000 2.205 1003 K HA 0.531 4.851 4.320 0.001 0.000 0.279 1003 K C 0.087 176.841 176.600 0.257 0.000 1.027 1003 K CA -0.420 55.985 56.287 0.197 0.000 0.932 1003 K CB 1.695 34.311 32.500 0.193 0.000 1.032 1003 K HN 0.668 nan 8.250 nan 0.000 0.466 1004 T N -2.092 112.536 114.554 0.122 0.000 2.930 1004 T HA 0.504 4.854 4.350 0.001 0.000 0.290 1004 T C -0.432 174.069 174.700 -0.332 0.000 1.052 1004 T CA -0.862 61.207 62.100 -0.051 0.000 1.017 1004 T CB 1.367 70.286 68.868 0.085 0.000 1.137 1004 T HN 0.139 nan 8.240 nan 0.000 0.511 1005 V N 2.958 122.607 119.914 -0.441 0.000 2.417 1005 V HA 0.404 4.524 4.120 0.001 0.000 0.291 1005 V C 0.606 176.609 176.094 -0.151 0.000 1.024 1005 V CA -1.167 60.888 62.300 -0.409 0.000 0.861 1005 V CB 1.262 32.772 31.823 -0.521 0.000 0.985 1005 V HN 1.014 nan 8.190 nan 0.000 0.436 1006 N N 3.657 122.315 118.700 -0.071 0.000 2.356 1006 N HA -0.044 4.696 4.740 0.001 0.000 0.252 1006 N C 1.173 176.663 175.510 -0.034 0.000 1.241 1006 N CA 0.450 53.481 53.050 -0.033 0.000 0.861 1006 N CB 0.884 39.358 38.487 -0.020 0.000 1.075 1006 N HN 0.742 nan 8.380 nan 0.000 0.461 1007 E N 2.465 122.652 120.200 -0.022 0.000 2.267 1007 E HA -0.184 4.166 4.350 0.001 0.000 0.197 1007 E C 1.088 177.679 176.600 -0.014 0.000 0.998 1007 E CA 1.237 57.626 56.400 -0.019 0.000 0.830 1007 E CB -0.004 29.689 29.700 -0.011 0.000 0.751 1007 E HN 0.692 nan 8.360 nan 0.000 0.491 1008 A N 1.119 123.931 122.820 -0.012 0.000 2.208 1008 A HA 0.291 4.611 4.320 0.001 0.000 0.209 1008 A C 1.179 178.759 177.584 -0.008 0.000 1.161 1008 A CA 0.363 52.394 52.037 -0.010 0.000 0.782 1008 A CB -0.029 18.965 19.000 -0.010 0.000 0.816 1008 A HN 0.209 nan 8.150 nan 0.000 0.477 1009 A N 0.631 123.446 122.820 -0.007 0.000 2.386 1009 A HA 0.491 4.811 4.320 0.001 0.000 0.246 1009 A C 0.982 178.571 177.584 0.009 0.000 1.089 1009 A CA 0.330 52.370 52.037 0.005 0.000 0.790 1009 A CB -0.097 18.915 19.000 0.019 0.000 1.042 1009 A HN 0.992 nan 8.150 nan 0.000 0.497 1010 S N 1.111 116.822 115.700 0.019 0.000 2.632 1010 S HA 0.337 4.808 4.470 0.001 0.000 0.267 1010 S C 1.098 175.714 174.600 0.026 0.000 1.276 1010 S CA -0.499 57.712 58.200 0.019 0.000 0.998 1010 S CB 0.515 63.726 63.200 0.019 0.000 0.953 1010 S HN 0.539 nan 8.310 nan 0.000 0.547 1011 M N 0.497 120.111 119.600 0.022 0.000 2.213 1011 M HA -0.025 4.456 4.480 0.001 0.000 0.263 1011 M C 2.173 178.496 176.300 0.038 0.000 1.062 1011 M CA 1.417 56.733 55.300 0.026 0.000 1.105 1011 M CB -1.496 31.117 32.600 0.023 0.000 1.385 1011 M HN 0.868 nan 8.290 nan 0.000 0.417 1012 R N 1.032 121.555 120.500 0.039 0.000 2.081 1012 R HA -0.120 4.220 4.340 0.001 0.000 0.235 1012 R C 1.818 178.163 176.300 0.076 0.000 1.131 1012 R CA 1.836 57.964 56.100 0.047 0.000 0.960 1012 R CB -0.489 29.833 30.300 0.037 0.000 0.856 1012 R HN 0.464 nan 8.270 nan 0.000 0.436 1013 E N -0.374 119.882 120.200 0.093 0.000 2.106 1013 E HA -0.137 4.213 4.350 0.001 0.000 0.192 1013 E C 2.131 178.844 176.600 0.188 0.000 0.984 1013 E CA 1.114 57.621 56.400 0.177 0.000 0.806 1013 E CB -0.053 29.740 29.700 0.156 0.000 0.750 1013 E HN 0.321 nan 8.360 nan 0.000 0.458 1014 R N 0.325 120.878 120.500 0.089 0.000 2.092 1014 R HA -0.089 4.251 4.340 0.001 0.000 0.231 1014 R C 2.253 178.588 176.300 0.057 0.000 1.119 1014 R CA 0.773 56.896 56.100 0.039 0.000 0.970 1014 R CB -0.143 30.159 30.300 0.003 0.000 0.864 1014 R HN 0.176 nan 8.270 nan 0.000 0.440 1015 I N 1.435 122.037 120.570 0.054 0.000 2.202 1015 I HA -0.206 3.964 4.170 0.001 0.000 0.242 1015 I C 2.069 178.193 176.117 0.012 0.000 1.091 1015 I CA 1.487 62.812 61.300 0.042 0.000 1.368 1015 I CB -1.043 36.991 38.000 0.055 0.000 1.058 1015 I HN 0.219 nan 8.210 nan 0.000 0.410 1016 E N 0.245 120.471 120.200 0.043 0.000 2.085 1016 E HA -0.277 4.074 4.350 0.001 0.000 0.194 1016 E C 2.169 178.681 176.600 -0.147 0.000 0.994 1016 E CA 1.386 57.796 56.400 0.016 0.000 0.801 1016 E CB -0.351 29.444 29.700 0.158 0.000 0.743 1016 E HN 0.378 nan 8.360 nan 0.000 0.453 1017 F N 1.538 121.232 119.950 -0.427 0.000 2.069 1017 F HA -0.211 4.316 4.527 0.001 0.000 0.298 1017 F C 1.962 177.459 175.800 -0.505 0.000 1.113 1017 F CA 1.442 58.943 58.000 -0.832 0.000 1.214 1017 F CB -0.196 38.328 39.000 -0.793 0.000 0.978 1017 F HN -0.090 nan 8.300 nan 0.000 0.474 1018 L N 0.080 121.138 121.223 -0.275 0.000 2.093 1018 L HA -0.233 4.107 4.340 0.001 0.000 0.208 1018 L C 2.256 178.932 176.870 -0.323 0.000 1.085 1018 L CA 1.048 55.639 54.840 -0.415 0.000 0.755 1018 L CB -0.873 40.878 42.059 -0.514 0.000 0.904 1018 L HN 0.190 nan 8.230 nan 0.000 0.435 1019 N N -0.150 118.416 118.700 -0.223 0.000 2.084 1019 N HA -0.172 4.568 4.740 0.001 0.000 0.190 1019 N C 1.783 177.101 175.510 -0.321 0.000 1.030 1019 N CA 1.107 54.053 53.050 -0.174 0.000 0.849 1019 N CB -0.167 38.249 38.487 -0.117 0.000 1.012 1019 N HN 0.299 nan 8.380 nan 0.000 0.423 1020 E N 1.076 120.953 120.200 -0.538 0.000 2.077 1020 E HA -0.073 4.277 4.350 0.001 0.000 0.193 1020 E C 1.900 178.094 176.600 -0.677 0.000 0.989 1020 E CA 0.832 56.756 56.400 -0.794 0.000 0.800 1020 E CB -0.280 28.476 29.700 -1.574 0.000 0.746 1020 E HN 0.327 nan 8.360 nan 0.000 0.452 1021 A N 0.964 123.433 122.820 -0.585 0.000 1.933 1021 A HA -0.136 4.184 4.320 0.001 0.000 0.218 1021 A C 2.470 179.829 177.584 -0.374 0.000 1.175 1021 A CA 1.684 53.549 52.037 -0.286 0.000 0.628 1021 A CB -0.465 18.323 19.000 -0.353 0.000 0.814 1021 A HN 0.167 nan 8.150 nan 0.000 0.444 1022 S N -0.320 115.173 115.700 -0.346 0.000 2.419 1022 S HA -0.126 4.345 4.470 0.001 0.000 0.233 1022 S C 1.786 176.146 174.600 -0.400 0.000 1.016 1022 S CA 1.275 59.281 58.200 -0.323 0.000 0.974 1022 S CB -0.419 62.701 63.200 -0.133 0.000 0.786 1022 S HN 0.358 nan 8.310 nan 0.000 0.492 1023 V N 2.101 121.775 119.914 -0.401 0.000 2.469 1023 V HA -0.182 3.938 4.120 0.001 0.000 0.251 1023 V C 1.992 177.539 176.094 -0.913 0.000 1.064 1023 V CA 1.619 63.630 62.300 -0.483 0.000 1.066 1023 V CB -0.624 30.961 31.823 -0.396 0.000 0.667 1023 V HN 0.561 nan 8.190 nan 0.000 0.461 1024 M N -1.078 118.015 119.600 -0.845 0.000 2.619 1024 M HA -0.039 4.442 4.480 0.001 0.000 0.251 1024 M C 1.929 177.747 176.300 -0.804 0.000 1.106 1024 M CA 0.939 55.630 55.300 -1.015 0.000 1.086 1024 M CB -0.355 31.977 32.600 -0.446 0.000 1.465 1024 M HN 0.238 nan 8.290 nan 0.000 0.506 1025 K N 0.982 120.909 120.400 -0.788 0.000 2.209 1025 K HA -0.141 4.180 4.320 0.001 0.000 0.204 1025 K C 1.180 177.628 176.600 -0.252 0.000 1.048 1025 K CA 1.070 56.861 56.287 -0.828 0.000 0.940 1025 K CB -0.035 31.955 32.500 -0.850 0.000 0.729 1025 K HN 0.487 nan 8.250 nan 0.000 0.451 1026 E N -0.232 119.797 120.200 -0.285 0.000 2.479 1026 E HA 0.028 4.379 4.350 0.001 0.000 0.193 1026 E C -0.415 176.340 176.600 0.259 0.000 1.049 1026 E CA -0.161 56.242 56.400 0.006 0.000 0.870 1026 E CB 0.254 29.968 29.700 0.024 0.000 0.944 1026 E HN 0.040 nan 8.360 nan 0.000 0.492 1027 F N 1.346 121.342 119.950 0.077 0.000 2.384 1027 F HA 0.320 4.847 4.527 0.001 0.000 0.338 1027 F C 0.647 176.511 175.800 0.106 0.000 1.103 1027 F CA -1.571 56.529 58.000 0.166 0.000 1.157 1027 F CB 0.645 39.687 39.000 0.070 0.000 1.167 1027 F HN -0.183 nan 8.300 nan 0.000 0.529 1028 N N 1.493 120.328 118.700 0.225 0.000 2.732 1028 N HA 0.217 4.958 4.740 0.001 0.000 0.235 1028 N C -2.002 173.334 175.510 -0.289 0.000 1.466 1028 N CA -0.024 53.048 53.050 0.036 0.000 0.751 1028 N CB 0.499 39.070 38.487 0.141 0.000 1.317 1028 N HN 0.634 nan 8.380 nan 0.000 0.525 1029 C N 1.921 120.953 119.300 -0.447 0.000 2.535 1029 C HA 0.429 4.889 4.460 0.001 0.000 0.319 1029 C C 1.640 176.473 174.990 -0.260 0.000 1.171 1029 C CA -0.518 58.165 59.018 -0.558 0.000 1.394 1029 C CB 0.436 27.494 27.740 -1.136 0.000 1.990 1029 C HN 0.892 nan 8.230 nan 0.000 0.466 1030 H N 1.642 120.524 119.070 -0.314 0.000 2.456 1030 H HA -0.037 4.519 4.556 0.001 0.000 0.296 1030 H C 1.057 176.134 175.328 -0.419 0.000 1.079 1030 H CA 2.191 58.019 56.048 -0.367 0.000 1.322 1030 H CB -0.006 29.468 29.762 -0.480 0.000 1.388 1030 H HN 0.875 nan 8.280 nan 0.000 0.538 1031 H N -1.357 117.681 119.070 -0.053 0.000 2.507 1031 H HA 0.359 4.916 4.556 0.001 0.000 0.294 1031 H C -0.690 174.589 175.328 -0.083 0.000 1.064 1031 H CA -0.178 55.839 56.048 -0.052 0.000 1.138 1031 H CB 0.628 30.434 29.762 0.074 0.000 1.515 1031 H HN -0.001 nan 8.280 nan 0.000 0.547 1032 V N 1.345 121.215 119.914 -0.074 0.000 2.577 1032 V HA 0.110 4.231 4.120 0.001 0.000 0.303 1032 V C -0.008 176.051 176.094 -0.059 0.000 1.042 1032 V CA -1.143 61.120 62.300 -0.062 0.000 0.872 1032 V CB 2.408 34.157 31.823 -0.123 0.000 0.998 1032 V HN -0.011 nan 8.190 nan 0.000 0.423 1033 V N 5.005 124.902 119.914 -0.029 0.000 2.584 1033 V HA 0.052 4.172 4.120 0.001 0.000 0.303 1033 V C 0.826 176.914 176.094 -0.010 0.000 1.035 1033 V CA 0.313 62.593 62.300 -0.033 0.000 1.172 1033 V CB 0.192 31.999 31.823 -0.027 0.000 0.896 1033 V HN 0.868 nan 8.190 nan 0.000 0.486 1034 R N 4.199 124.691 120.500 -0.014 0.000 2.357 1034 R HA 0.424 4.765 4.340 0.001 0.000 0.296 1034 R C -0.541 175.772 176.300 0.021 0.000 1.052 1034 R CA -0.852 55.261 56.100 0.022 0.000 0.988 1034 R CB 0.915 31.236 30.300 0.034 0.000 1.025 1034 R HN 0.607 nan 8.270 nan 0.000 0.469 1035 L N 5.301 126.531 121.223 0.012 0.000 2.331 1035 L HA 0.186 4.527 4.340 0.001 0.000 0.278 1035 L C -0.114 176.858 176.870 0.170 0.000 1.106 1035 L CA 0.448 55.270 54.840 -0.029 0.000 0.824 1035 L CB 1.045 42.946 42.059 -0.264 0.000 1.142 1035 L HN 0.835 nan 8.230 nan 0.000 0.443 1036 L N 4.326 125.655 121.223 0.177 0.000 2.609 1036 L HA 0.558 4.898 4.340 0.001 0.000 0.230 1036 L C 0.833 177.894 176.870 0.320 0.000 1.064 1036 L CA 0.337 55.327 54.840 0.250 0.000 0.873 1036 L CB 0.272 42.401 42.059 0.117 0.000 1.139 1036 L HN 0.840 nan 8.230 nan 0.000 0.490 1037 G N -0.615 108.349 108.800 0.274 0.000 2.368 1037 G HA2 0.480 4.441 3.960 0.001 0.000 0.293 1037 G HA3 0.480 4.441 3.960 0.001 0.000 0.293 1037 G C -2.062 172.931 174.900 0.154 0.000 1.467 1037 G CA -0.426 44.842 45.100 0.280 0.000 0.804 1037 G HN -0.302 nan 8.290 nan 0.000 0.535 1038 V N -0.488 119.519 119.914 0.156 0.000 2.841 1038 V HA 0.682 4.802 4.120 0.001 0.000 0.310 1038 V C -0.533 175.602 176.094 0.068 0.000 1.090 1038 V CA -0.749 61.588 62.300 0.063 0.000 0.930 1038 V CB 2.081 33.917 31.823 0.023 0.000 1.014 1038 V HN 0.784 nan 8.190 nan 0.000 0.425 1039 V N 3.196 123.130 119.914 0.034 0.000 2.305 1039 V HA 0.284 4.405 4.120 0.001 0.000 0.275 1039 V C 0.777 176.877 176.094 0.011 0.000 1.020 1039 V CA 0.211 62.533 62.300 0.037 0.000 0.811 1039 V CB 1.311 33.154 31.823 0.033 0.000 1.031 1039 V HN 1.047 nan 8.190 nan 0.000 0.439 1040 S N 2.402 118.113 115.700 0.018 0.000 2.540 1040 S HA 0.249 4.720 4.470 0.001 0.000 0.218 1040 S C 0.443 175.069 174.600 0.045 0.000 0.977 1040 S CA -0.389 57.807 58.200 -0.005 0.000 0.918 1040 S CB 0.229 63.434 63.200 0.008 0.000 0.806 1040 S HN 0.603 nan 8.310 nan 0.000 0.496 1041 Q N 1.534 121.362 119.800 0.046 0.000 2.293 1041 Q HA 0.651 4.991 4.340 0.001 0.000 0.261 1041 Q C 0.541 176.553 176.000 0.020 0.000 0.960 1041 Q CA 0.287 56.114 55.803 0.039 0.000 0.882 1041 Q CB 1.201 29.965 28.738 0.043 0.000 1.275 1041 Q HN 0.509 nan 8.270 nan 0.000 0.445 1042 G N 2.189 110.997 108.800 0.014 0.000 2.728 1042 G HA2 -0.158 3.803 3.960 0.001 0.000 0.294 1042 G HA3 -0.158 3.803 3.960 0.001 0.000 0.294 1042 G C -1.087 173.811 174.900 -0.005 0.000 1.342 1042 G CA -0.814 44.288 45.100 0.003 0.000 0.866 1042 G HN 0.442 nan 8.290 nan 0.000 0.534 1043 Q N 0.463 120.256 119.800 -0.012 0.000 2.333 1043 Q HA 0.595 4.936 4.340 0.001 0.000 0.267 1043 Q C -1.838 174.146 176.000 -0.027 0.000 1.012 1043 Q CA -1.335 54.456 55.803 -0.020 0.000 0.824 1043 Q CB 2.376 31.104 28.738 -0.017 0.000 1.290 1043 Q HN 0.693 nan 8.270 nan 0.000 0.449 1044 P HA 0.314 nan 4.420 nan 0.000 0.283 1044 P C -0.585 176.691 177.300 -0.041 0.000 1.278 1044 P CA -0.446 62.629 63.100 -0.042 0.000 0.834 1044 P CB 0.855 32.529 31.700 -0.044 0.000 1.150 1045 T N 0.970 115.486 114.554 -0.064 0.000 2.901 1045 T HA 0.371 4.721 4.350 0.001 0.000 0.301 1045 T C 0.257 174.962 174.700 0.009 0.000 1.012 1045 T CA 0.126 62.206 62.100 -0.033 0.000 1.135 1045 T CB -0.165 68.668 68.868 -0.058 0.000 0.936 1045 T HN 0.194 nan 8.240 nan 0.000 0.539 1046 L N 2.293 123.579 121.223 0.104 0.000 2.371 1046 L HA 0.764 5.105 4.340 0.001 0.000 0.262 1046 L C -0.846 176.145 176.870 0.202 0.000 1.006 1046 L CA -1.272 53.669 54.840 0.167 0.000 0.818 1046 L CB 2.182 44.284 42.059 0.072 0.000 1.354 1046 L HN 0.293 nan 8.230 nan 0.000 0.415 1047 V N 3.309 123.347 119.914 0.207 0.000 2.483 1047 V HA 0.437 4.557 4.120 0.001 0.000 0.297 1047 V C -0.385 175.722 176.094 0.022 0.000 1.027 1047 V CA -0.455 61.857 62.300 0.020 0.000 0.855 1047 V CB 2.264 33.959 31.823 -0.213 0.000 0.995 1047 V HN 0.400 nan 8.190 nan 0.000 0.424 1048 I N 6.125 126.705 120.570 0.017 0.000 2.315 1048 I HA 0.507 4.678 4.170 0.001 0.000 0.291 1048 I C -0.004 176.119 176.117 0.010 0.000 1.006 1048 I CA -0.178 61.139 61.300 0.028 0.000 1.265 1048 I CB 1.280 39.310 38.000 0.050 0.000 1.387 1048 I HN 0.433 nan 8.210 nan 0.000 0.475 1049 M N 3.928 123.525 119.600 -0.005 0.000 2.716 1049 M HA 0.366 4.846 4.480 0.001 0.000 0.307 1049 M C 0.117 176.414 176.300 -0.006 0.000 1.223 1049 M CA -0.845 54.443 55.300 -0.020 0.000 0.871 1049 M CB 1.626 34.188 32.600 -0.063 0.000 1.739 1049 M HN 0.496 nan 8.290 nan 0.000 0.475 1050 E N 1.507 121.701 120.200 -0.009 0.000 2.415 1050 E HA 0.123 4.473 4.350 0.001 0.000 0.263 1050 E C -1.234 175.352 176.600 -0.022 0.000 0.995 1050 E CA -0.310 56.083 56.400 -0.012 0.000 0.915 1050 E CB 0.730 30.416 29.700 -0.023 0.000 0.951 1050 E HN 0.471 nan 8.360 nan 0.000 0.449 1051 L N 5.305 126.517 121.223 -0.019 0.000 2.331 1051 L HA 0.182 4.522 4.340 0.001 0.000 0.278 1051 L C -0.593 176.254 176.870 -0.038 0.000 1.106 1051 L CA 0.194 55.021 54.840 -0.022 0.000 0.824 1051 L CB 1.040 43.091 42.059 -0.013 0.000 1.142 1051 L HN 0.629 nan 8.230 nan 0.000 0.443 1052 M N 4.912 124.487 119.600 -0.041 0.000 2.158 1052 M HA 0.174 4.655 4.480 0.001 0.000 0.326 1052 M C 1.243 177.508 176.300 -0.059 0.000 1.014 1052 M CA -0.231 55.035 55.300 -0.058 0.000 0.961 1052 M CB 0.414 32.984 32.600 -0.050 0.000 1.327 1052 M HN 0.796 nan 8.290 nan 0.000 0.393 1053 T N -0.664 113.846 114.554 -0.073 0.000 2.897 1053 T HA -0.109 4.241 4.350 0.001 0.000 0.271 1053 T C 1.338 175.995 174.700 -0.072 0.000 1.084 1053 T CA 1.200 63.260 62.100 -0.068 0.000 1.123 1053 T CB -0.051 68.770 68.868 -0.078 0.000 0.865 1053 T HN 0.610 nan 8.240 nan 0.000 0.496 1054 R N 1.062 121.497 120.500 -0.109 0.000 2.359 1054 R HA 0.452 4.793 4.340 0.001 0.000 0.231 1054 R C 1.503 177.805 176.300 0.002 0.000 0.913 1054 R CA 0.158 56.212 56.100 -0.077 0.000 1.075 1054 R CB 0.054 30.229 30.300 -0.209 0.000 1.087 1054 R HN 0.579 nan 8.270 nan 0.000 0.515 1055 G N 2.144 110.943 108.800 -0.001 0.000 2.645 1055 G HA2 -0.290 3.670 3.960 0.001 0.000 0.239 1055 G HA3 -0.290 3.670 3.960 0.001 0.000 0.239 1055 G C -0.715 174.218 174.900 0.054 0.000 1.331 1055 G CA -0.175 44.949 45.100 0.040 0.000 0.890 1055 G HN 0.468 nan 8.290 nan 0.000 0.572 1056 D N -0.095 120.366 120.400 0.101 0.000 2.339 1056 D HA 0.288 4.929 4.640 0.001 0.000 0.245 1056 D C 1.670 178.054 176.300 0.140 0.000 1.115 1056 D CA -0.219 53.847 54.000 0.110 0.000 0.917 1056 D CB 1.617 42.505 40.800 0.147 0.000 1.192 1056 D HN 0.580 nan 8.370 nan 0.000 0.428 1057 L N 1.903 123.191 121.223 0.108 0.000 2.131 1057 L HA -0.149 4.192 4.340 0.001 0.000 0.210 1057 L C 2.452 179.429 176.870 0.177 0.000 1.092 1057 L CA 1.776 56.708 54.840 0.153 0.000 0.759 1057 L CB -0.787 41.332 42.059 0.101 0.000 0.903 1057 L HN 0.608 nan 8.230 nan 0.000 0.435 1058 K N -1.213 119.238 120.400 0.084 0.000 2.025 1058 K HA -0.131 4.189 4.320 0.001 0.000 0.207 1058 K C 2.070 178.752 176.600 0.136 0.000 1.049 1058 K CA 1.626 57.926 56.287 0.021 0.000 0.933 1058 K CB -0.121 32.201 32.500 -0.295 0.000 0.714 1058 K HN 0.344 nan 8.250 nan 0.000 0.438 1059 S N -0.013 115.831 115.700 0.240 0.000 2.368 1059 S HA -0.171 4.300 4.470 0.001 0.000 0.225 1059 S C 1.606 176.322 174.600 0.195 0.000 1.030 1059 S CA 1.264 59.623 58.200 0.265 0.000 0.999 1059 S CB -0.510 62.849 63.200 0.264 0.000 0.844 1059 S HN 0.435 nan 8.310 nan 0.000 0.459 1060 Y N 2.408 122.768 120.300 0.099 0.000 2.097 1060 Y HA -0.139 4.411 4.550 0.001 0.000 0.282 1060 Y C 1.896 177.843 175.900 0.078 0.000 1.152 1060 Y CA 1.364 59.518 58.100 0.089 0.000 1.136 1060 Y CB -0.585 37.931 38.460 0.093 0.000 0.975 1060 Y HN 0.131 nan 8.280 nan 0.000 0.498 1061 L N -0.096 121.152 121.223 0.042 0.000 2.042 1061 L HA -0.249 4.091 4.340 0.001 0.000 0.210 1061 L C 2.635 179.450 176.870 -0.091 0.000 1.076 1061 L CA 1.711 56.511 54.840 -0.067 0.000 0.749 1061 L CB -0.536 41.553 42.059 0.050 0.000 0.893 1061 L HN 0.154 nan 8.230 nan 0.000 0.432 1062 R N -0.260 120.234 120.500 -0.011 0.000 2.148 1062 R HA -0.115 4.225 4.340 0.001 0.000 0.227 1062 R C 2.513 178.794 176.300 -0.031 0.000 1.103 1062 R CA 1.454 57.555 56.100 0.001 0.000 0.983 1062 R CB -0.334 30.009 30.300 0.071 0.000 0.874 1062 R HN 0.475 nan 8.270 nan 0.000 0.451 1063 S N 0.596 116.260 115.700 -0.059 0.000 2.481 1063 S HA -0.015 4.455 4.470 0.001 0.000 0.231 1063 S C 1.940 176.472 174.600 -0.113 0.000 0.996 1063 S CA 0.558 58.719 58.200 -0.066 0.000 0.942 1063 S CB -0.204 62.966 63.200 -0.050 0.000 0.768 1063 S HN 0.229 nan 8.310 nan 0.000 0.520 1064 L N 0.646 121.760 121.223 -0.182 0.000 2.156 1064 L HA 0.058 4.398 4.340 0.001 0.000 0.208 1064 L C 3.065 179.874 176.870 -0.101 0.000 1.095 1064 L CA 1.161 55.897 54.840 -0.173 0.000 0.770 1064 L CB -0.508 41.413 42.059 -0.230 0.000 0.914 1064 L HN 0.342 nan 8.230 nan 0.000 0.439 1065 R N 0.661 121.112 120.500 -0.082 0.000 2.080 1065 R HA -0.163 4.177 4.340 0.001 0.000 0.236 1065 R C -0.272 176.002 176.300 -0.043 0.000 1.137 1065 R CA 1.827 57.892 56.100 -0.058 0.000 0.943 1065 R CB -1.099 29.173 30.300 -0.046 0.000 0.846 1065 R HN 0.201 nan 8.270 nan 0.000 0.431 1066 P HA -0.125 nan 4.420 nan 0.000 0.216 1066 P C 0.795 178.080 177.300 -0.024 0.000 1.153 1066 P CA 1.986 65.072 63.100 -0.023 0.000 0.858 1066 P CB -0.084 31.606 31.700 -0.016 0.000 0.789 1067 A N -0.974 121.827 122.820 -0.031 0.000 1.902 1067 A HA -0.207 4.114 4.320 0.001 0.000 0.217 1067 A C 2.189 179.756 177.584 -0.028 0.000 1.181 1067 A CA 1.964 53.985 52.037 -0.026 0.000 0.623 1067 A CB -1.421 17.560 19.000 -0.032 0.000 0.818 1067 A HN 0.117 nan 8.150 nan 0.000 0.443 1068 M N -0.722 118.856 119.600 -0.037 0.000 2.175 1068 M HA -0.083 4.397 4.480 0.001 0.000 0.264 1068 M C 2.447 178.730 176.300 -0.029 0.000 1.063 1068 M CA 1.227 56.506 55.300 -0.036 0.000 1.119 1068 M CB -0.341 32.232 32.600 -0.045 0.000 1.377 1068 M HN 0.471 nan 8.290 nan 0.000 0.415 1069 A N 0.461 123.264 122.820 -0.028 0.000 2.015 1069 A HA -0.103 4.217 4.320 0.001 0.000 0.219 1069 A C 1.748 179.322 177.584 -0.017 0.000 1.163 1069 A CA 1.375 53.399 52.037 -0.023 0.000 0.646 1069 A CB -0.536 18.451 19.000 -0.021 0.000 0.806 1069 A HN 0.489 nan 8.150 nan 0.000 0.448 1070 N N -0.427 118.264 118.700 -0.016 0.000 2.373 1070 N HA -0.002 4.738 4.740 0.001 0.000 0.181 1070 N C -0.341 175.162 175.510 -0.011 0.000 1.082 1070 N CA 0.281 53.324 53.050 -0.012 0.000 0.885 1070 N CB 0.182 38.663 38.487 -0.009 0.000 0.977 1070 N HN 0.382 nan 8.380 nan 0.000 0.462 1071 N N 0.175 118.866 118.700 -0.014 0.000 2.571 1071 N HA 0.239 4.979 4.740 0.001 0.000 0.286 1071 N C -2.373 173.127 175.510 -0.017 0.000 1.138 1071 N CA -1.348 51.694 53.050 -0.013 0.000 0.859 1071 N CB 1.954 40.435 38.487 -0.011 0.000 1.414 1071 N HN -0.235 nan 8.380 nan 0.000 0.529 1072 P HA -0.099 nan 4.420 nan 0.000 0.220 1072 P C 1.337 178.626 177.300 -0.019 0.000 1.144 1072 P CA 0.644 63.734 63.100 -0.018 0.000 0.800 1072 P CB 0.619 32.309 31.700 -0.015 0.000 0.772 1073 V N -1.059 118.846 119.914 -0.016 0.000 2.490 1073 V HA -0.166 3.954 4.120 0.001 0.000 0.250 1073 V C 1.440 177.522 176.094 -0.020 0.000 1.061 1073 V CA 1.092 63.383 62.300 -0.016 0.000 1.064 1073 V CB -0.868 30.947 31.823 -0.013 0.000 0.670 1073 V HN 0.095 nan 8.190 nan 0.000 0.461 1074 L N 0.251 121.460 121.223 -0.023 0.000 2.397 1074 L HA 0.549 4.890 4.340 0.001 0.000 0.271 1074 L C 0.107 176.957 176.870 -0.034 0.000 1.148 1074 L CA 0.090 54.913 54.840 -0.029 0.000 0.825 1074 L CB 0.673 42.714 42.059 -0.030 0.000 1.117 1074 L HN 0.211 nan 8.230 nan 0.000 0.456 1075 A N 4.146 126.943 122.820 -0.038 0.000 2.413 1075 A HA 0.853 5.173 4.320 0.001 0.000 0.307 1075 A C -2.446 175.108 177.584 -0.049 0.000 1.087 1075 A CA -1.408 50.603 52.037 -0.042 0.000 0.750 1075 A CB 1.121 20.098 19.000 -0.038 0.000 1.296 1075 A HN 0.538 nan 8.150 nan 0.000 0.423 1076 P HA 0.281 nan 4.420 nan 0.000 0.270 1076 P C -2.604 174.664 177.300 -0.053 0.000 1.227 1076 P CA -0.701 62.363 63.100 -0.060 0.000 0.788 1076 P CB -0.781 30.879 31.700 -0.067 0.000 0.926 1077 P HA -0.015 nan 4.420 nan 0.000 0.262 1077 P C 0.461 177.738 177.300 -0.038 0.000 1.182 1077 P CA 0.376 63.455 63.100 -0.035 0.000 0.761 1077 P CB 0.069 31.764 31.700 -0.010 0.000 0.795 1078 S N 2.911 118.589 115.700 -0.037 0.000 2.596 1078 S HA 0.030 4.501 4.470 0.001 0.000 0.260 1078 S C 1.137 175.717 174.600 -0.034 0.000 1.336 1078 S CA -0.557 57.622 58.200 -0.036 0.000 0.993 1078 S CB 0.159 63.338 63.200 -0.034 0.000 0.923 1078 S HN 0.373 nan 8.310 nan 0.000 0.567 1079 L N 1.319 122.522 121.223 -0.033 0.000 2.083 1079 L HA -0.025 4.316 4.340 0.001 0.000 0.209 1079 L C 2.632 179.483 176.870 -0.031 0.000 1.083 1079 L CA 2.362 57.182 54.840 -0.032 0.000 0.752 1079 L CB -1.371 40.670 42.059 -0.029 0.000 0.899 1079 L HN 0.940 nan 8.230 nan 0.000 0.433 1080 S N -0.803 114.879 115.700 -0.030 0.000 2.368 1080 S HA -0.225 4.245 4.470 0.001 0.000 0.225 1080 S C 2.086 176.668 174.600 -0.030 0.000 1.030 1080 S CA 1.621 59.803 58.200 -0.030 0.000 0.999 1080 S CB -0.210 62.974 63.200 -0.026 0.000 0.844 1080 S HN 0.580 nan 8.310 nan 0.000 0.459 1081 K N 0.126 120.510 120.400 -0.026 0.000 2.097 1081 K HA 0.067 4.387 4.320 0.001 0.000 0.205 1081 K C 2.274 178.869 176.600 -0.009 0.000 1.050 1081 K CA 1.391 57.667 56.287 -0.018 0.000 0.938 1081 K CB -0.208 32.278 32.500 -0.022 0.000 0.718 1081 K HN 0.443 nan 8.250 nan 0.000 0.442 1082 M N 0.398 119.989 119.600 -0.016 0.000 2.175 1082 M HA -0.113 4.367 4.480 0.001 0.000 0.264 1082 M C 2.097 178.382 176.300 -0.025 0.000 1.063 1082 M CA 1.455 56.745 55.300 -0.017 0.000 1.119 1082 M CB -0.264 32.318 32.600 -0.030 0.000 1.377 1082 M HN 0.114 nan 8.290 nan 0.000 0.415 1083 I N -0.121 120.429 120.570 -0.034 0.000 2.315 1083 I HA -0.277 3.894 4.170 0.001 0.000 0.248 1083 I C 2.596 178.674 176.117 -0.065 0.000 1.117 1083 I CA 1.104 62.377 61.300 -0.046 0.000 1.404 1083 I CB -0.378 37.588 38.000 -0.056 0.000 1.071 1083 I HN 0.308 nan 8.210 nan 0.000 0.419 1084 Q N 1.152 120.917 119.800 -0.058 0.000 2.084 1084 Q HA -0.191 4.149 4.340 0.001 0.000 0.202 1084 Q C 2.190 178.168 176.000 -0.038 0.000 0.978 1084 Q CA 1.934 57.697 55.803 -0.066 0.000 0.844 1084 Q CB -0.173 28.554 28.738 -0.018 0.000 0.898 1084 Q HN 0.417 nan 8.270 nan 0.000 0.426 1085 M N -0.831 118.769 119.600 -0.001 0.000 2.132 1085 M HA -0.116 4.364 4.480 0.001 0.000 0.263 1085 M C 2.183 178.508 176.300 0.041 0.000 1.065 1085 M CA 1.442 56.758 55.300 0.026 0.000 1.122 1085 M CB -0.471 32.151 32.600 0.035 0.000 1.365 1085 M HN 0.340 nan 8.290 nan 0.000 0.411 1086 A N 0.704 123.547 122.820 0.038 0.000 1.883 1086 A HA -0.099 4.221 4.320 0.001 0.000 0.217 1086 A C 2.348 180.061 177.584 0.214 0.000 1.186 1086 A CA 2.080 54.208 52.037 0.151 0.000 0.624 1086 A CB -1.570 17.497 19.000 0.112 0.000 0.822 1086 A HN 0.559 nan 8.150 nan 0.000 0.444 1087 G N -0.740 108.058 108.800 -0.003 0.000 2.408 1087 G HA2 -0.177 3.784 3.960 0.001 0.000 0.217 1087 G HA3 -0.177 3.784 3.960 0.001 0.000 0.217 1087 G C 1.438 176.270 174.900 -0.114 0.000 1.150 1087 G CA 0.995 46.001 45.100 -0.156 0.000 0.776 1087 G HN 0.657 nan 8.290 nan 0.000 0.542 1088 E N -0.012 120.110 120.200 -0.129 0.000 2.047 1088 E HA -0.038 4.313 4.350 0.001 0.000 0.191 1088 E C 2.500 179.026 176.600 -0.124 0.000 0.987 1088 E CA 0.596 56.813 56.400 -0.304 0.000 0.799 1088 E CB -0.128 29.495 29.700 -0.129 0.000 0.752 1088 E HN 0.468 nan 8.360 nan 0.000 0.449 1089 I N 1.092 121.699 120.570 0.062 0.000 2.179 1089 I HA -0.264 3.906 4.170 0.001 0.000 0.242 1089 I C 2.531 178.693 176.117 0.075 0.000 1.088 1089 I CA 0.984 62.372 61.300 0.148 0.000 1.357 1089 I CB -0.313 37.868 38.000 0.301 0.000 1.051 1089 I HN 0.089 nan 8.210 nan 0.000 0.409 1090 A N 0.185 123.067 122.820 0.104 0.000 1.972 1090 A HA -0.291 4.029 4.320 0.001 0.000 0.219 1090 A C 1.953 179.498 177.584 -0.065 0.000 1.169 1090 A CA 2.295 54.243 52.037 -0.148 0.000 0.635 1090 A CB -0.677 18.256 19.000 -0.111 0.000 0.810 1090 A HN 0.459 nan 8.150 nan 0.000 0.446 1091 D N -0.814 119.635 120.400 0.083 0.000 2.117 1091 D HA -0.014 4.627 4.640 0.001 0.000 0.198 1091 D C 2.014 178.434 176.300 0.199 0.000 0.982 1091 D CA 1.546 55.702 54.000 0.259 0.000 0.828 1091 D CB -0.375 40.649 40.800 0.374 0.000 0.967 1091 D HN 0.290 nan 8.370 nan 0.000 0.464 1092 G N 0.026 108.890 108.800 0.107 0.000 2.418 1092 G HA2 -0.215 3.745 3.960 0.001 0.000 0.217 1092 G HA3 -0.215 3.745 3.960 0.001 0.000 0.217 1092 G C 1.510 176.359 174.900 -0.086 0.000 1.158 1092 G CA 0.647 45.780 45.100 0.055 0.000 0.771 1092 G HN 0.169 nan 8.290 nan 0.000 0.545 1093 M N 1.137 120.570 119.600 -0.279 0.000 2.175 1093 M HA 0.121 4.602 4.480 0.001 0.000 0.264 1093 M C 2.974 179.024 176.300 -0.416 0.000 1.063 1093 M CA 1.080 56.038 55.300 -0.570 0.000 1.119 1093 M CB -1.169 30.520 32.600 -1.517 0.000 1.377 1093 M HN 0.314 nan 8.290 nan 0.000 0.415 1094 A N -0.920 121.776 122.820 -0.207 0.000 1.933 1094 A HA -0.214 4.106 4.320 0.001 0.000 0.218 1094 A C 2.143 179.643 177.584 -0.140 0.000 1.175 1094 A CA 1.320 53.422 52.037 0.108 0.000 0.628 1094 A CB -1.065 18.182 19.000 0.412 0.000 0.814 1094 A HN 0.505 nan 8.150 nan 0.000 0.444 1095 Y N 0.522 120.511 120.300 -0.520 0.000 2.145 1095 Y HA -0.153 4.397 4.550 0.001 0.000 0.286 1095 Y C 1.941 177.486 175.900 -0.591 0.000 1.145 1095 Y CA 1.876 59.334 58.100 -1.071 0.000 1.148 1095 Y CB -0.322 37.689 38.460 -0.749 0.000 0.981 1095 Y HN 0.211 nan 8.280 nan 0.000 0.507 1096 L N 0.156 121.151 121.223 -0.379 0.000 2.017 1096 L HA -0.269 4.071 4.340 0.001 0.000 0.208 1096 L C 2.143 178.927 176.870 -0.144 0.000 1.073 1096 L CA 1.500 56.140 54.840 -0.333 0.000 0.745 1096 L CB -0.707 41.224 42.059 -0.213 0.000 0.894 1096 L HN 0.260 nan 8.230 nan 0.000 0.432 1097 N N 0.348 118.996 118.700 -0.087 0.000 2.166 1097 N HA -0.142 4.599 4.740 0.001 0.000 0.186 1097 N C 1.851 177.331 175.510 -0.050 0.000 1.019 1097 N CA 1.471 54.527 53.050 0.011 0.000 0.856 1097 N CB -0.352 38.216 38.487 0.136 0.000 0.993 1097 N HN 0.307 nan 8.380 nan 0.000 0.426 1098 A N 0.848 123.584 122.820 -0.140 0.000 2.019 1098 A HA -0.063 4.258 4.320 0.001 0.000 0.219 1098 A C 1.594 179.085 177.584 -0.156 0.000 1.164 1098 A CA 1.097 53.065 52.037 -0.114 0.000 0.644 1098 A CB -0.251 18.666 19.000 -0.138 0.000 0.805 1098 A HN 0.248 nan 8.150 nan 0.000 0.449 1099 N N -0.211 118.351 118.700 -0.230 0.000 2.276 1099 N HA 0.071 4.812 4.740 0.001 0.000 0.212 1099 N C -0.541 174.897 175.510 -0.121 0.000 1.127 1099 N CA 0.234 53.219 53.050 -0.108 0.000 0.834 1099 N CB 0.161 38.615 38.487 -0.054 0.000 1.014 1099 N HN 0.449 nan 8.380 nan 0.000 0.491 1100 K N -0.397 119.914 120.400 -0.148 0.000 3.230 1100 K HA -0.175 4.145 4.320 0.001 0.000 0.285 1100 K C -0.870 175.523 176.600 -0.345 0.000 1.196 1100 K CA 0.675 56.821 56.287 -0.236 0.000 0.838 1100 K CB -1.749 30.577 32.500 -0.290 0.000 1.262 1100 K HN 0.117 nan 8.250 nan 0.000 0.492 1101 F N 0.317 120.240 119.950 -0.046 0.000 2.492 1101 F HA 0.486 5.014 4.527 0.001 0.000 0.327 1101 F C 0.799 176.604 175.800 0.009 0.000 1.079 1101 F CA -1.026 56.968 58.000 -0.011 0.000 0.967 1101 F CB 1.540 40.537 39.000 -0.004 0.000 1.169 1101 F HN -0.137 nan 8.300 nan 0.000 0.472 1102 V N -0.514 119.549 119.914 0.250 0.000 2.864 1102 V HA 0.437 4.557 4.120 0.001 0.000 0.314 1102 V C 0.193 176.433 176.094 0.244 0.000 1.073 1102 V CA -0.542 61.895 62.300 0.230 0.000 0.956 1102 V CB 1.693 33.637 31.823 0.202 0.000 1.023 1102 V HN 0.894 nan 8.190 nan 0.000 0.435 1103 H N 2.435 121.616 119.070 0.185 0.000 2.320 1103 H HA 0.240 4.796 4.556 0.001 0.000 0.309 1103 H C 1.564 176.973 175.328 0.136 0.000 1.057 1103 H CA 2.087 58.228 56.048 0.154 0.000 1.374 1103 H CB 0.404 30.262 29.762 0.160 0.000 1.421 1103 H HN 0.873 nan 8.280 nan 0.000 0.532 1104 R N -1.026 119.736 120.500 0.437 0.000 3.590 1104 R HA -0.175 4.166 4.340 0.001 0.000 0.463 1104 R C -0.356 176.147 176.300 0.338 0.000 0.657 1104 R CA 1.400 57.674 56.100 0.289 0.000 1.512 1104 R CB -1.460 28.737 30.300 -0.171 0.000 2.154 1104 R HN 0.336 nan 8.270 nan 0.000 0.409 1105 D N 0.362 121.019 120.400 0.427 0.000 2.940 1105 D HA 0.162 4.802 4.640 0.001 0.000 0.366 1105 D C -1.026 175.154 176.300 -0.199 0.000 1.446 1105 D CA -0.410 53.722 54.000 0.220 0.000 0.780 1105 D CB 0.377 41.364 40.800 0.311 0.000 1.206 1105 D HN 0.048 nan 8.370 nan 0.000 0.454 1106 L N 1.536 122.541 121.223 -0.364 0.000 2.410 1106 L HA 0.647 4.988 4.340 0.001 0.000 0.273 1106 L C -0.459 176.327 176.870 -0.140 0.000 1.144 1106 L CA 0.319 54.885 54.840 -0.457 0.000 0.863 1106 L CB 0.464 42.452 42.059 -0.118 0.000 1.140 1106 L HN 0.206 nan 8.230 nan 0.000 0.463 1107 A N 3.795 126.506 122.820 -0.182 0.000 2.567 1107 A HA 0.658 4.978 4.320 0.001 0.000 0.291 1107 A C 0.447 177.975 177.584 -0.093 0.000 1.048 1107 A CA -0.168 51.738 52.037 -0.219 0.000 0.661 1107 A CB 0.076 18.515 19.000 -0.934 0.000 1.288 1107 A HN 1.122 nan 8.150 nan 0.000 0.424 1108 A N 0.658 123.486 122.820 0.014 0.000 1.940 1108 A HA -0.168 4.153 4.320 0.001 0.000 0.219 1108 A C 1.915 179.468 177.584 -0.052 0.000 1.176 1108 A CA 2.159 54.209 52.037 0.021 0.000 0.631 1108 A CB -0.672 18.375 19.000 0.079 0.000 0.814 1108 A HN 1.175 nan 8.150 nan 0.000 0.446 1109 R N -0.993 119.398 120.500 -0.181 0.000 2.241 1109 R HA -0.015 4.325 4.340 0.001 0.000 0.224 1109 R C 0.279 176.570 176.300 -0.015 0.000 1.101 1109 R CA 1.487 57.488 56.100 -0.165 0.000 0.995 1109 R CB -0.390 29.710 30.300 -0.333 0.000 0.870 1109 R HN 0.340 nan 8.270 nan 0.000 0.463 1110 N N -0.089 118.596 118.700 -0.026 0.000 2.214 1110 N HA 0.131 4.872 4.740 0.001 0.000 0.214 1110 N C -0.960 174.595 175.510 0.074 0.000 1.132 1110 N CA -0.148 52.934 53.050 0.054 0.000 0.856 1110 N CB 0.677 39.213 38.487 0.081 0.000 1.020 1110 N HN 0.129 nan 8.380 nan 0.000 0.509 1111 C N 1.214 120.543 119.300 0.049 0.000 2.435 1111 C HA 0.590 5.050 4.460 0.001 0.000 0.333 1111 C C 0.054 175.071 174.990 0.045 0.000 1.202 1111 C CA -0.777 58.275 59.018 0.057 0.000 1.830 1111 C CB 1.046 28.820 27.740 0.057 0.000 2.326 1111 C HN 0.186 nan 8.230 nan 0.000 0.507 1112 M N 2.369 121.987 119.600 0.030 0.000 2.598 1112 M HA 0.550 5.030 4.480 0.001 0.000 0.317 1112 M C -0.734 175.547 176.300 -0.033 0.000 1.179 1112 M CA -0.624 54.679 55.300 0.004 0.000 0.936 1112 M CB 1.591 34.190 32.600 -0.003 0.000 1.713 1112 M HN 0.306 nan 8.290 nan 0.000 0.460 1113 V N 1.626 121.493 119.914 -0.078 0.000 2.384 1113 V HA 0.699 4.820 4.120 0.001 0.000 0.287 1113 V C 0.370 176.358 176.094 -0.176 0.000 1.020 1113 V CA -0.979 61.223 62.300 -0.163 0.000 0.850 1113 V CB 1.121 32.747 31.823 -0.329 0.000 0.987 1113 V HN 1.011 nan 8.190 nan 0.000 0.436 1114 A N 2.907 125.629 122.820 -0.163 0.000 2.259 1114 A HA 0.521 4.841 4.320 0.001 0.000 0.278 1114 A C 1.305 178.728 177.584 -0.268 0.000 1.107 1114 A CA 0.001 51.940 52.037 -0.163 0.000 0.828 1114 A CB 0.328 19.264 19.000 -0.106 0.000 1.111 1114 A HN 0.909 nan 8.150 nan 0.000 0.498 1115 E N 0.326 120.400 120.200 -0.210 0.000 2.097 1115 E HA -0.234 4.116 4.350 0.001 0.000 0.196 1115 E C 0.980 177.390 176.600 -0.318 0.000 1.000 1115 E CA 2.235 58.485 56.400 -0.250 0.000 0.804 1115 E CB -0.148 29.478 29.700 -0.122 0.000 0.740 1115 E HN 0.724 nan 8.360 nan 0.000 0.454 1116 D N -1.472 118.843 120.400 -0.142 0.000 2.319 1116 D HA -0.076 4.565 4.640 0.001 0.000 0.230 1116 D C -0.013 176.395 176.300 0.180 0.000 1.094 1116 D CA -0.135 53.884 54.000 0.031 0.000 0.856 1116 D CB -0.561 40.295 40.800 0.093 0.000 0.915 1116 D HN 0.299 nan 8.370 nan 0.000 0.517 1117 F N -1.233 118.700 119.950 -0.029 0.000 2.656 1117 F HA -0.242 4.286 4.527 0.001 0.000 0.381 1117 F C 0.418 176.185 175.800 -0.055 0.000 0.603 1117 F CA 0.787 58.740 58.000 -0.079 0.000 1.335 1117 F CB -2.494 36.478 39.000 -0.045 0.000 1.836 1117 F HN -0.103 nan 8.300 nan 0.000 0.290 1118 T N 1.911 116.530 114.554 0.110 0.000 2.888 1118 T HA 0.444 4.795 4.350 0.001 0.000 0.301 1118 T C 0.494 175.232 174.700 0.063 0.000 1.001 1118 T CA -0.189 61.988 62.100 0.128 0.000 1.147 1118 T CB 1.334 70.283 68.868 0.136 0.000 0.931 1118 T HN 0.026 nan 8.240 nan 0.000 0.541 1119 V N 5.014 124.984 119.914 0.094 0.000 2.481 1119 V HA 0.456 4.577 4.120 0.001 0.000 0.286 1119 V C 0.261 176.416 176.094 0.102 0.000 1.042 1119 V CA -0.468 61.866 62.300 0.057 0.000 0.928 1119 V CB 1.298 33.152 31.823 0.052 0.000 0.986 1119 V HN 0.773 nan 8.190 nan 0.000 0.462 1120 K N 3.805 124.241 120.400 0.060 0.000 2.482 1120 K HA 0.585 4.905 4.320 0.001 0.000 0.257 1120 K C -1.354 175.282 176.600 0.060 0.000 0.969 1120 K CA -1.038 55.290 56.287 0.069 0.000 0.842 1120 K CB 2.379 34.879 32.500 -0.000 0.000 1.359 1120 K HN 0.315 nan 8.250 nan 0.000 0.441 1121 I N 2.335 122.945 120.570 0.066 0.000 2.533 1121 I HA 0.050 4.221 4.170 0.001 0.000 0.284 1121 I C 1.139 177.300 176.117 0.074 0.000 1.109 1121 I CA 0.321 61.673 61.300 0.087 0.000 1.412 1121 I CB -0.060 37.990 38.000 0.084 0.000 1.396 1121 I HN 0.710 nan 8.210 nan 0.000 0.543 1122 G N 6.133 114.993 108.800 0.100 0.000 2.606 1122 G HA2 0.289 4.250 3.960 0.001 0.000 0.252 1122 G HA3 0.289 4.250 3.960 0.001 0.000 0.252 1122 G C -0.098 174.841 174.900 0.065 0.000 1.206 1122 G CA -0.525 44.616 45.100 0.069 0.000 0.861 1122 G HN 0.729 nan 8.290 nan 0.000 0.561 1123 D N -0.874 119.532 120.400 0.009 0.000 2.388 1123 D HA 0.331 4.972 4.640 0.001 0.000 0.254 1123 D C 0.472 176.760 176.300 -0.020 0.000 1.111 1123 D CA -0.718 53.273 54.000 -0.015 0.000 0.993 1123 D CB 0.839 41.567 40.800 -0.120 0.000 1.118 1123 D HN 0.303 nan 8.370 nan 0.000 0.502 1124 F N -1.641 118.300 119.950 -0.016 0.000 2.539 1124 F HA 0.388 4.915 4.527 0.001 0.000 0.340 1124 F C 1.515 177.375 175.800 0.101 0.000 1.185 1124 F CA -0.046 57.973 58.000 0.031 0.000 1.333 1124 F CB -0.188 38.816 39.000 0.007 0.000 1.152 1124 F HN 0.578 nan 8.300 nan 0.000 0.602 1125 G N 3.084 112.052 108.800 0.280 0.000 2.258 1125 G HA2 -0.265 3.695 3.960 0.001 0.000 0.274 1125 G HA3 -0.265 3.695 3.960 0.001 0.000 0.274 1125 G C 0.413 175.350 174.900 0.062 0.000 1.021 1125 G CA 0.521 45.764 45.100 0.240 0.000 0.798 1125 G HN 0.620 nan 8.290 nan 0.000 0.507 1126 M N -0.019 119.597 119.600 0.026 0.000 2.331 1126 M HA 0.111 4.592 4.480 0.001 0.000 0.266 1126 M C 1.110 177.445 176.300 0.059 0.000 1.055 1126 M CA 0.593 55.902 55.300 0.015 0.000 1.048 1126 M CB -0.476 32.115 32.600 -0.016 0.000 1.460 1126 M HN 0.151 nan 8.290 nan 0.000 0.519 1127 T N 3.064 117.672 114.554 0.091 0.000 2.866 1127 T HA 0.054 4.404 4.350 0.001 0.000 0.293 1127 T C 0.719 175.493 174.700 0.124 0.000 1.005 1127 T CA 0.246 62.431 62.100 0.142 0.000 1.162 1127 T CB 0.276 69.239 68.868 0.159 0.000 0.968 1127 T HN 0.253 nan 8.240 nan 0.000 0.530 1128 R N 2.546 123.147 120.500 0.168 0.000 2.623 1128 R HA 0.021 4.361 4.340 0.001 0.000 0.271 1128 R C 1.245 177.528 176.300 -0.029 0.000 1.043 1128 R CA -0.258 55.855 56.100 0.022 0.000 1.083 1128 R CB 0.352 30.589 30.300 -0.106 0.000 0.974 1128 R HN 0.761 nan 8.270 nan 0.000 0.436 1129 D N 3.027 123.385 120.400 -0.070 0.000 2.182 1129 D HA -0.216 4.425 4.640 0.001 0.000 0.201 1129 D C 1.572 177.821 176.300 -0.085 0.000 0.986 1129 D CA 1.275 55.241 54.000 -0.056 0.000 0.847 1129 D CB -0.436 40.329 40.800 -0.058 0.000 0.942 1129 D HN 0.725 nan 8.370 nan 0.000 0.467 1130 I N -3.212 117.220 120.570 -0.230 0.000 2.916 1130 I HA -0.107 4.064 4.170 0.001 0.000 0.267 1130 I C 0.713 176.699 176.117 -0.218 0.000 1.263 1130 I CA 0.709 61.844 61.300 -0.275 0.000 1.471 1130 I CB -0.544 37.209 38.000 -0.412 0.000 1.089 1130 I HN -0.177 nan 8.210 nan 0.000 0.468 1131 Y N 2.318 122.679 120.300 0.101 0.000 2.571 1131 Y HA 0.168 4.718 4.550 0.001 0.000 0.275 1131 Y C 2.067 178.099 175.900 0.220 0.000 1.179 1131 Y CA -0.784 57.398 58.100 0.136 0.000 1.242 1131 Y CB -0.865 37.664 38.460 0.116 0.000 1.126 1131 Y HN 0.423 nan 8.280 nan 0.000 0.524 1132 E N -0.661 119.707 120.200 0.279 0.000 2.204 1132 E HA -0.188 4.162 4.350 0.001 0.000 0.195 1132 E C 1.476 178.283 176.600 0.345 0.000 0.990 1132 E CA 1.746 58.321 56.400 0.292 0.000 0.821 1132 E CB -0.563 29.219 29.700 0.138 0.000 0.750 1132 E HN 0.399 nan 8.360 nan 0.000 0.477 1133 T N -1.310 113.406 114.554 0.270 0.000 3.113 1133 T HA -0.061 4.289 4.350 0.001 0.000 0.263 1133 T C 0.833 175.681 174.700 0.245 0.000 1.143 1133 T CA 0.853 63.096 62.100 0.238 0.000 1.090 1133 T CB -0.089 68.893 68.868 0.191 0.000 0.922 1133 T HN 0.007 nan 8.240 nan 0.000 0.521 1134 D N 0.303 120.842 120.400 0.232 0.000 2.349 1134 D HA 0.167 4.807 4.640 0.001 0.000 0.224 1134 D C -0.546 175.620 176.300 -0.223 0.000 1.029 1134 D CA 0.301 54.326 54.000 0.041 0.000 0.879 1134 D CB -0.021 40.633 40.800 -0.244 0.000 0.906 1134 D HN 0.533 nan 8.370 nan 0.000 0.528 1135 Y N -0.807 119.621 120.300 0.213 0.000 2.524 1135 Y HA 0.454 5.004 4.550 0.001 0.000 0.344 1135 Y C -0.684 175.378 175.900 0.271 0.000 1.012 1135 Y CA -1.368 56.859 58.100 0.213 0.000 1.068 1135 Y CB 1.497 40.038 38.460 0.136 0.000 1.249 1135 Y HN -0.232 nan 8.280 nan 0.000 0.468 1136 Y N 1.170 121.618 120.300 0.247 0.000 2.470 1136 Y HA 0.504 5.054 4.550 0.001 0.000 0.341 1136 Y C -0.741 175.243 175.900 0.140 0.000 1.021 1136 Y CA -1.814 56.383 58.100 0.162 0.000 1.025 1136 Y CB 1.522 40.054 38.460 0.121 0.000 1.266 1136 Y HN 0.603 nan 8.280 nan 0.000 0.448 1137 R N 4.979 125.181 120.500 -0.496 0.000 2.893 1137 R HA 0.115 4.456 4.340 0.001 0.000 0.243 1137 R C -0.261 175.604 176.300 -0.726 0.000 1.481 1137 R CA -0.318 55.517 56.100 -0.441 0.000 1.250 1137 R CB 0.074 30.209 30.300 -0.274 0.000 1.213 1137 R HN 0.513 nan 8.270 nan 0.000 0.609 1138 K N 0.638 120.775 120.400 -0.439 0.000 2.484 1138 K HA -0.050 4.271 4.320 0.001 0.000 0.280 1138 K C 0.921 177.454 176.600 -0.112 0.000 1.013 1138 K CA 1.043 57.219 56.287 -0.185 0.000 1.029 1138 K CB 0.363 32.913 32.500 0.083 0.000 0.902 1138 K HN 0.707 nan 8.250 nan 0.000 0.481 1139 G N 2.916 111.683 108.800 -0.054 0.000 2.180 1139 G HA2 -0.296 3.665 3.960 0.001 0.000 0.263 1139 G HA3 -0.296 3.665 3.960 0.001 0.000 0.263 1139 G C 0.746 175.613 174.900 -0.055 0.000 0.989 1139 G CA 0.535 45.620 45.100 -0.024 0.000 0.692 1139 G HN 1.545 nan 8.290 nan 0.000 0.526 1140 G N -1.462 107.265 108.800 -0.122 0.000 2.143 1140 G HA2 -0.277 3.684 3.960 0.001 0.000 0.248 1140 G HA3 -0.277 3.684 3.960 0.001 0.000 0.248 1140 G C 0.639 175.490 174.900 -0.082 0.000 0.991 1140 G CA 1.712 46.749 45.100 -0.104 0.000 0.689 1140 G HN 0.928 nan 8.290 nan 0.000 0.522 1141 K N -0.249 120.102 120.400 -0.083 0.000 2.522 1141 K HA 0.584 4.904 4.320 0.001 0.000 0.258 1141 K C 1.465 178.035 176.600 -0.051 0.000 0.981 1141 K CA -0.352 55.905 56.287 -0.050 0.000 1.491 1141 K CB -0.070 32.416 32.500 -0.023 0.000 2.722 1141 K HN 0.282 nan 8.250 nan 0.000 0.934 1142 G N 1.053 109.839 108.800 -0.024 0.000 2.594 1142 G HA2 0.205 4.166 3.960 0.001 0.000 0.243 1142 G HA3 0.205 4.166 3.960 0.001 0.000 0.243 1142 G C -0.290 174.611 174.900 0.001 0.000 1.229 1142 G CA -0.417 44.674 45.100 -0.015 0.000 0.843 1142 G HN 0.233 nan 8.290 nan 0.000 0.578 1143 L N 0.684 121.915 121.223 0.013 0.000 2.410 1143 L HA 0.283 4.624 4.340 0.001 0.000 0.273 1143 L C 0.166 177.152 176.870 0.192 0.000 1.144 1143 L CA 0.106 54.995 54.840 0.082 0.000 0.863 1143 L CB 0.358 42.436 42.059 0.032 0.000 1.140 1143 L HN 0.210 nan 8.230 nan 0.000 0.463 1144 L N 6.002 127.397 121.223 0.286 0.000 2.381 1144 L HA 0.463 4.803 4.340 0.001 0.000 0.268 1144 L C -2.152 174.947 176.870 0.381 0.000 0.997 1144 L CA -1.640 53.408 54.840 0.346 0.000 0.818 1144 L CB 2.738 44.962 42.059 0.275 0.000 1.310 1144 L HN 0.381 nan 8.230 nan 0.000 0.416 1145 P HA 0.017 nan 4.420 nan 0.000 0.225 1145 P C 1.021 178.515 177.300 0.325 0.000 1.813 1145 P CA -0.204 62.955 63.100 0.098 0.000 1.013 1145 P CB 0.291 31.961 31.700 -0.049 0.000 1.961 1146 V N 1.244 121.330 119.914 0.287 0.000 2.453 1146 V HA -0.258 3.862 4.120 0.001 0.000 0.252 1146 V C 2.023 178.220 176.094 0.171 0.000 1.068 1146 V CA 1.391 63.821 62.300 0.217 0.000 1.070 1146 V CB -1.472 30.455 31.823 0.173 0.000 0.664 1146 V HN 0.186 nan 8.190 nan 0.000 0.461 1147 R N -1.256 119.383 120.500 0.232 0.000 2.339 1147 R HA 0.058 4.398 4.340 0.001 0.000 0.199 1147 R C 1.661 177.918 176.300 -0.071 0.000 1.018 1147 R CA 1.235 57.356 56.100 0.035 0.000 1.036 1147 R CB -0.163 30.039 30.300 -0.162 0.000 0.899 1147 R HN 0.662 nan 8.270 nan 0.000 0.473 1148 W N -0.424 120.983 121.300 0.178 0.000 2.870 1148 W HA 0.293 4.954 4.660 0.001 0.000 0.358 1148 W C 0.001 176.716 176.519 0.326 0.000 1.043 1148 W CA -0.499 56.999 57.345 0.255 0.000 1.692 1148 W CB 0.374 29.939 29.460 0.175 0.000 1.100 1148 W HN -0.013 nan 8.180 nan 0.000 0.557 1149 M N 1.165 120.967 119.600 0.337 0.000 2.249 1149 M HA 0.095 4.575 4.480 0.001 0.000 0.351 1149 M C 1.136 177.180 176.300 -0.427 0.000 1.180 1149 M CA 0.188 55.526 55.300 0.064 0.000 1.127 1149 M CB 1.326 33.942 32.600 0.026 0.000 1.546 1149 M HN -0.255 nan 8.290 nan 0.000 0.461 1150 S N 2.366 117.620 115.700 -0.743 0.000 2.600 1150 S HA 0.246 4.717 4.470 0.001 0.000 0.265 1150 S C -2.167 171.817 174.600 -1.026 0.000 1.325 1150 S CA -1.082 56.255 58.200 -1.438 0.000 1.002 1150 S CB 0.413 63.133 63.200 -0.800 0.000 0.921 1150 S HN 0.446 nan 8.310 nan 0.000 0.554 1151 P HA -0.162 nan 4.420 nan 0.000 0.215 1151 P C 1.685 178.670 177.300 -0.525 0.000 1.153 1151 P CA 1.439 64.089 63.100 -0.750 0.000 0.853 1151 P CB -0.065 31.038 31.700 -0.995 0.000 0.788 1152 E N -0.602 119.281 120.200 -0.529 0.000 2.204 1152 E HA -0.086 4.264 4.350 0.001 0.000 0.194 1152 E C 1.616 178.020 176.600 -0.326 0.000 0.989 1152 E CA 1.324 57.518 56.400 -0.342 0.000 0.824 1152 E CB -1.066 28.474 29.700 -0.266 0.000 0.756 1152 E HN 0.146 nan 8.360 nan 0.000 0.477 1153 S N 1.084 116.506 115.700 -0.463 0.000 2.387 1153 S HA 0.047 4.517 4.470 0.001 0.000 0.226 1153 S C 2.112 176.511 174.600 -0.334 0.000 1.026 1153 S CA 0.690 58.535 58.200 -0.592 0.000 0.972 1153 S CB -0.172 62.399 63.200 -1.049 0.000 0.814 1153 S HN 0.195 nan 8.310 nan 0.000 0.477 1154 L N 1.060 122.111 121.223 -0.286 0.000 2.072 1154 L HA -0.026 4.315 4.340 0.001 0.000 0.205 1154 L C 2.513 179.320 176.870 -0.106 0.000 1.079 1154 L CA 1.192 55.940 54.840 -0.155 0.000 0.752 1154 L CB -0.294 41.660 42.059 -0.175 0.000 0.906 1154 L HN 0.227 nan 8.230 nan 0.000 0.436 1155 K N -0.416 119.903 120.400 -0.136 0.000 2.067 1155 K HA -0.095 4.226 4.320 0.001 0.000 0.203 1155 K C 1.068 177.633 176.600 -0.058 0.000 1.048 1155 K CA 1.300 57.537 56.287 -0.082 0.000 0.954 1155 K CB 0.290 32.740 32.500 -0.082 0.000 0.737 1155 K HN 0.229 nan 8.250 nan 0.000 0.444 1156 D N -1.439 118.914 120.400 -0.078 0.000 2.407 1156 D HA 0.109 4.750 4.640 0.001 0.000 0.208 1156 D C 0.712 177.001 176.300 -0.018 0.000 1.083 1156 D CA 0.759 54.734 54.000 -0.042 0.000 0.844 1156 D CB 1.191 41.964 40.800 -0.045 0.000 0.967 1156 D HN 0.465 nan 8.370 nan 0.000 0.506 1157 G N 1.719 110.499 108.800 -0.033 0.000 2.148 1157 G HA2 -0.270 3.691 3.960 0.001 0.000 0.254 1157 G HA3 -0.270 3.691 3.960 0.001 0.000 0.254 1157 G C 0.525 175.499 174.900 0.124 0.000 0.981 1157 G CA 0.625 45.762 45.100 0.061 0.000 0.670 1157 G HN 0.399 nan 8.290 nan 0.000 0.528 1158 V N -2.400 117.504 119.914 -0.016 0.000 2.539 1158 V HA 0.890 5.011 4.120 0.001 0.000 0.292 1158 V C -0.095 175.951 176.094 -0.079 0.000 1.045 1158 V CA -1.577 60.757 62.300 0.056 0.000 0.945 1158 V CB 1.359 33.192 31.823 0.017 0.000 0.993 1158 V HN 0.279 nan 8.190 nan 0.000 0.464 1159 F N 2.750 122.719 119.950 0.032 0.000 2.493 1159 F HA 0.814 5.341 4.527 0.001 0.000 0.329 1159 F C 0.591 176.412 175.800 0.035 0.000 1.126 1159 F CA -0.052 57.981 58.000 0.055 0.000 0.937 1159 F CB 2.280 41.331 39.000 0.085 0.000 1.146 1159 F HN 0.976 nan 8.300 nan 0.000 0.442 1160 T N -2.564 112.087 114.554 0.161 0.000 2.716 1160 T HA 0.230 4.581 4.350 0.001 0.000 0.286 1160 T C 0.708 175.430 174.700 0.037 0.000 1.052 1160 T CA -0.164 61.944 62.100 0.014 0.000 1.024 1160 T CB 1.405 70.162 68.868 -0.185 0.000 1.349 1160 T HN 0.442 nan 8.240 nan 0.000 0.525 1161 T N -1.160 113.330 114.554 -0.106 0.000 2.881 1161 T HA -0.052 4.298 4.350 0.001 0.000 0.270 1161 T C 1.265 176.029 174.700 0.106 0.000 1.068 1161 T CA 1.468 63.595 62.100 0.046 0.000 1.131 1161 T CB -0.967 67.900 68.868 -0.001 0.000 0.871 1161 T HN 0.582 nan 8.240 nan 0.000 0.479 1162 Y N 1.568 121.919 120.300 0.085 0.000 2.181 1162 Y HA -0.132 4.419 4.550 0.001 0.000 0.288 1162 Y C 3.130 179.099 175.900 0.115 0.000 1.146 1162 Y CA 0.828 58.958 58.100 0.050 0.000 1.164 1162 Y CB -0.333 38.143 38.460 0.027 0.000 0.982 1162 Y HN 0.361 nan 8.280 nan 0.000 0.515 1163 S N -0.575 115.286 115.700 0.267 0.000 2.428 1163 S HA -0.153 4.317 4.470 0.001 0.000 0.230 1163 S C 1.347 176.173 174.600 0.376 0.000 1.014 1163 S CA 1.199 59.540 58.200 0.236 0.000 0.957 1163 S CB -0.283 62.945 63.200 0.046 0.000 0.784 1163 S HN 0.327 nan 8.310 nan 0.000 0.499 1164 D N 1.630 122.264 120.400 0.389 0.000 2.144 1164 D HA 0.003 4.643 4.640 0.001 0.000 0.200 1164 D C 2.037 178.669 176.300 0.554 0.000 0.978 1164 D CA 0.747 55.050 54.000 0.505 0.000 0.833 1164 D CB -0.398 40.748 40.800 0.577 0.000 0.961 1164 D HN 0.309 nan 8.370 nan 0.000 0.470 1165 V N 0.908 120.988 119.914 0.276 0.000 2.427 1165 V HA -0.182 3.938 4.120 0.001 0.000 0.248 1165 V C 2.137 178.421 176.094 0.318 0.000 1.051 1165 V CA 1.121 63.431 62.300 0.017 0.000 1.048 1165 V CB -0.392 31.271 31.823 -0.267 0.000 0.666 1165 V HN 0.405 nan 8.190 nan 0.000 0.456 1166 W N 1.073 122.514 121.300 0.235 0.000 2.355 1166 W HA -0.203 4.457 4.660 0.001 0.000 0.309 1166 W C 2.444 179.226 176.519 0.439 0.000 1.206 1166 W CA 2.073 59.621 57.345 0.338 0.000 1.284 1166 W CB -0.545 29.053 29.460 0.231 0.000 1.145 1166 W HN 0.325 nan 8.180 nan 0.000 0.502 1167 S N 0.788 116.905 115.700 0.694 0.000 2.382 1167 S HA -0.229 4.241 4.470 0.001 0.000 0.228 1167 S C 1.536 176.445 174.600 0.515 0.000 1.027 1167 S CA 1.573 60.150 58.200 0.627 0.000 0.991 1167 S CB -1.033 62.512 63.200 0.576 0.000 0.823 1167 S HN 0.353 nan 8.310 nan 0.000 0.469 1168 F N 2.662 122.827 119.950 0.357 0.000 2.171 1168 F HA -0.034 4.493 4.527 0.001 0.000 0.300 1168 F C 2.230 178.132 175.800 0.171 0.000 1.090 1168 F CA 1.260 59.440 58.000 0.299 0.000 1.293 1168 F CB -0.905 38.346 39.000 0.418 0.000 1.013 1168 F HN 0.212 nan 8.300 nan 0.000 0.486 1169 G N -0.025 108.853 108.800 0.130 0.000 2.418 1169 G HA2 -0.218 3.742 3.960 0.001 0.000 0.217 1169 G HA3 -0.218 3.742 3.960 0.001 0.000 0.217 1169 G C 1.700 176.648 174.900 0.080 0.000 1.158 1169 G CA 1.210 46.173 45.100 -0.228 0.000 0.771 1169 G HN 0.345 nan 8.290 nan 0.000 0.545 1170 V N 0.579 120.697 119.914 0.339 0.000 2.427 1170 V HA -0.149 3.971 4.120 0.001 0.000 0.248 1170 V C 2.995 179.258 176.094 0.282 0.000 1.051 1170 V CA 1.328 63.799 62.300 0.284 0.000 1.048 1170 V CB -0.301 31.534 31.823 0.020 0.000 0.666 1170 V HN 0.247 nan 8.190 nan 0.000 0.456 1171 V N -0.164 119.882 119.914 0.221 0.000 2.407 1171 V HA -0.230 3.891 4.120 0.001 0.000 0.248 1171 V C 2.289 178.384 176.094 0.002 0.000 1.055 1171 V CA 1.727 64.116 62.300 0.149 0.000 1.049 1171 V CB -0.517 31.334 31.823 0.048 0.000 0.662 1171 V HN 0.452 nan 8.190 nan 0.000 0.455 1172 L N -1.667 119.459 121.223 -0.162 0.000 2.093 1172 L HA -0.196 4.144 4.340 0.001 0.000 0.208 1172 L C 2.299 179.179 176.870 0.017 0.000 1.085 1172 L CA 2.014 56.747 54.840 -0.177 0.000 0.755 1172 L CB -0.499 41.376 42.059 -0.306 0.000 0.904 1172 L HN 0.507 nan 8.230 nan 0.000 0.435 1173 W N 1.392 122.666 121.300 -0.043 0.000 2.363 1173 W HA -0.176 4.485 4.660 0.001 0.000 0.296 1173 W C 2.400 178.917 176.519 -0.002 0.000 1.212 1173 W CA 1.498 58.861 57.345 0.029 0.000 1.260 1173 W CB 0.075 29.615 29.460 0.134 0.000 1.131 1173 W HN 0.091 nan 8.180 nan 0.000 0.530 1174 E N 0.095 120.462 120.200 0.278 0.000 2.077 1174 E HA -0.251 4.100 4.350 0.001 0.000 0.193 1174 E C 2.113 178.700 176.600 -0.021 0.000 0.989 1174 E CA 1.820 58.310 56.400 0.149 0.000 0.800 1174 E CB -0.498 29.358 29.700 0.261 0.000 0.746 1174 E HN 0.357 nan 8.360 nan 0.000 0.452 1175 I N 1.089 121.653 120.570 -0.010 0.000 2.226 1175 I HA -0.262 3.908 4.170 0.001 0.000 0.245 1175 I C 2.473 178.529 176.117 -0.102 0.000 1.100 1175 I CA 1.025 62.305 61.300 -0.033 0.000 1.374 1175 I CB -0.269 37.715 38.000 -0.028 0.000 1.057 1175 I HN 0.074 nan 8.210 nan 0.000 0.413 1176 A N 0.165 122.887 122.820 -0.162 0.000 2.119 1176 A HA -0.133 4.187 4.320 0.001 0.000 0.217 1176 A C 2.107 179.500 177.584 -0.318 0.000 1.153 1176 A CA 1.863 53.770 52.037 -0.217 0.000 0.692 1176 A CB -0.763 18.107 19.000 -0.216 0.000 0.799 1176 A HN 0.531 nan 8.150 nan 0.000 0.458 1177 T N -3.938 110.359 114.554 -0.429 0.000 3.085 1177 T HA 0.445 4.795 4.350 0.001 0.000 0.264 1177 T C 0.482 175.020 174.700 -0.270 0.000 1.019 1177 T CA 0.184 62.000 62.100 -0.473 0.000 0.910 1177 T CB -0.460 67.876 68.868 -0.888 0.000 1.059 1177 T HN 0.562 nan 8.240 nan 0.000 0.542 1178 L N 0.453 121.568 121.223 -0.179 0.000 3.608 1178 L HA -0.228 4.113 4.340 0.001 0.000 0.422 1178 L C 0.829 177.663 176.870 -0.061 0.000 1.260 1178 L CA 0.110 54.890 54.840 -0.101 0.000 0.889 1178 L CB -2.471 39.528 42.059 -0.101 0.000 1.821 1178 L HN 0.788 nan 8.230 nan 0.000 0.884 1179 A N -1.212 121.580 122.820 -0.047 0.000 2.734 1179 A HA -0.149 4.172 4.320 0.001 0.000 0.296 1179 A C 0.803 178.428 177.584 0.068 0.000 1.474 1179 A CA 1.409 53.471 52.037 0.042 0.000 0.735 1179 A CB -0.848 18.190 19.000 0.064 0.000 1.062 1179 A HN 0.530 nan 8.150 nan 0.000 0.463 1180 E N 0.501 120.710 120.200 0.015 0.000 2.369 1180 E HA 0.279 4.630 4.350 0.001 0.000 0.255 1180 E C 0.536 177.298 176.600 0.269 0.000 1.172 1180 E CA -0.331 56.124 56.400 0.091 0.000 0.932 1180 E CB 0.266 29.970 29.700 0.007 0.000 1.040 1180 E HN 0.582 nan 8.360 nan 0.000 0.454 1181 Q N 1.298 121.231 119.800 0.223 0.000 2.296 1181 Q HA 0.265 4.605 4.340 0.001 0.000 0.262 1181 Q C -2.135 173.906 176.000 0.069 0.000 0.981 1181 Q CA -1.858 54.049 55.803 0.173 0.000 0.905 1181 Q CB 0.258 29.075 28.738 0.131 0.000 1.186 1181 Q HN 0.080 nan 8.270 nan 0.000 0.399 1182 P HA -0.036 nan 4.420 nan 0.000 0.268 1182 P C -0.988 175.989 177.300 -0.537 0.000 1.204 1182 P CA 0.087 62.664 63.100 -0.872 0.000 0.768 1182 P CB 0.170 31.164 31.700 -1.176 0.000 0.842 1183 Y N -0.073 119.944 120.300 -0.471 0.000 3.689 1183 Y HA -0.300 4.250 4.550 0.001 0.000 0.221 1183 Y C 1.769 177.542 175.900 -0.211 0.000 1.247 1183 Y CA 0.565 58.463 58.100 -0.336 0.000 1.671 1183 Y CB -3.225 35.035 38.460 -0.334 0.000 1.521 1183 Y HN 0.475 nan 8.280 nan 0.000 0.632 1184 Q N -0.063 119.709 119.800 -0.047 0.000 2.124 1184 Q HA -0.293 4.047 4.340 0.001 0.000 0.215 1184 Q C 2.383 178.372 176.000 -0.019 0.000 1.015 1184 Q CA 2.051 57.854 55.803 -0.000 0.000 0.890 1184 Q CB -0.582 28.176 28.738 0.033 0.000 0.966 1184 Q HN 0.794 nan 8.270 nan 0.000 0.412 1185 G N -0.274 108.499 108.800 -0.045 0.000 3.026 1185 G HA2 0.208 4.168 3.960 0.001 0.000 0.208 1185 G HA3 0.208 4.168 3.960 0.001 0.000 0.208 1185 G C 0.147 174.995 174.900 -0.087 0.000 1.169 1185 G CA -0.113 44.951 45.100 -0.059 0.000 0.788 1185 G HN 0.016 nan 8.290 nan 0.000 0.533 1186 L N 1.369 122.532 121.223 -0.100 0.000 2.334 1186 L HA 0.416 4.757 4.340 0.001 0.000 0.276 1186 L C 0.682 177.487 176.870 -0.109 0.000 1.014 1186 L CA -0.894 53.867 54.840 -0.132 0.000 0.815 1186 L CB 2.071 44.005 42.059 -0.209 0.000 1.268 1186 L HN 0.125 nan 8.230 nan 0.000 0.428 1187 S N 0.831 116.462 115.700 -0.115 0.000 2.624 1187 S HA 0.171 4.642 4.470 0.001 0.000 0.263 1187 S C 0.856 175.337 174.600 -0.197 0.000 1.287 1187 S CA -0.691 57.433 58.200 -0.127 0.000 0.990 1187 S CB 0.831 63.965 63.200 -0.111 0.000 0.950 1187 S HN 0.615 nan 8.310 nan 0.000 0.561 1188 N N 1.410 119.932 118.700 -0.297 0.000 2.069 1188 N HA -0.131 4.609 4.740 0.001 0.000 0.191 1188 N C 1.601 176.851 175.510 -0.434 0.000 1.031 1188 N CA 1.474 54.237 53.050 -0.479 0.000 0.852 1188 N CB -0.553 37.318 38.487 -1.026 0.000 1.018 1188 N HN 0.662 nan 8.380 nan 0.000 0.423 1189 E N 1.293 121.268 120.200 -0.375 0.000 2.077 1189 E HA -0.153 4.197 4.350 0.001 0.000 0.193 1189 E C 1.938 178.468 176.600 -0.116 0.000 0.989 1189 E CA 0.838 57.136 56.400 -0.170 0.000 0.800 1189 E CB -0.200 29.455 29.700 -0.074 0.000 0.746 1189 E HN 0.532 nan 8.360 nan 0.000 0.452 1190 Q N 0.162 119.886 119.800 -0.127 0.000 2.167 1190 Q HA -0.093 4.248 4.340 0.001 0.000 0.202 1190 Q C 2.345 178.277 176.000 -0.114 0.000 0.970 1190 Q CA 0.979 56.722 55.803 -0.100 0.000 0.855 1190 Q CB 0.048 28.718 28.738 -0.113 0.000 0.911 1190 Q HN 0.094 nan 8.270 nan 0.000 0.438 1191 V N 0.706 120.506 119.914 -0.190 0.000 2.343 1191 V HA -0.265 3.856 4.120 0.001 0.000 0.247 1191 V C 2.072 178.044 176.094 -0.204 0.000 1.051 1191 V CA 1.310 63.438 62.300 -0.286 0.000 1.036 1191 V CB -0.445 31.164 31.823 -0.356 0.000 0.654 1191 V HN 0.272 nan 8.190 nan 0.000 0.451 1192 L N -0.157 120.983 121.223 -0.139 0.000 1.990 1192 L HA -0.205 4.135 4.340 0.001 0.000 0.213 1192 L C 2.545 179.372 176.870 -0.071 0.000 1.072 1192 L CA 2.197 56.984 54.840 -0.089 0.000 0.755 1192 L CB -1.032 41.010 42.059 -0.028 0.000 0.889 1192 L HN 0.267 nan 8.230 nan 0.000 0.432 1193 R N -1.522 118.955 120.500 -0.037 0.000 2.066 1193 R HA -0.199 4.142 4.340 0.001 0.000 0.232 1193 R C 2.432 178.736 176.300 0.006 0.000 1.131 1193 R CA 1.288 57.380 56.100 -0.012 0.000 0.955 1193 R CB -0.440 29.864 30.300 0.005 0.000 0.851 1193 R HN 0.222 nan 8.270 nan 0.000 0.432 1194 F N 0.830 120.693 119.950 -0.144 0.000 2.065 1194 F HA -0.243 4.285 4.527 0.001 0.000 0.298 1194 F C 1.935 177.657 175.800 -0.130 0.000 1.112 1194 F CA 1.738 59.653 58.000 -0.143 0.000 1.212 1194 F CB -0.504 38.374 39.000 -0.204 0.000 0.975 1194 F HN -0.178 nan 8.300 nan 0.000 0.476 1195 V N 0.448 120.243 119.914 -0.198 0.000 2.358 1195 V HA -0.321 3.799 4.120 0.001 0.000 0.246 1195 V C 2.452 178.451 176.094 -0.158 0.000 1.047 1195 V CA 2.106 64.256 62.300 -0.249 0.000 1.035 1195 V CB -0.609 31.060 31.823 -0.257 0.000 0.658 1195 V HN 0.369 nan 8.190 nan 0.000 0.452 1196 M N -0.581 118.946 119.600 -0.121 0.000 2.279 1196 M HA -0.106 4.374 4.480 0.001 0.000 0.264 1196 M C 1.663 177.995 176.300 0.052 0.000 1.062 1196 M CA 1.304 56.588 55.300 -0.026 0.000 1.099 1196 M CB -0.268 32.304 32.600 -0.048 0.000 1.394 1196 M HN 0.286 nan 8.290 nan 0.000 0.426 1197 E N -0.288 119.873 120.200 -0.064 0.000 2.465 1197 E HA 0.136 4.487 4.350 0.001 0.000 0.191 1197 E C 1.230 177.710 176.600 -0.201 0.000 1.053 1197 E CA 0.504 56.831 56.400 -0.122 0.000 0.869 1197 E CB 0.298 29.934 29.700 -0.106 0.000 0.977 1197 E HN 0.632 nan 8.360 nan 0.000 0.483 1198 G N 0.838 109.554 108.800 -0.141 0.000 2.176 1198 G HA2 -0.221 3.740 3.960 0.001 0.000 0.232 1198 G HA3 -0.221 3.740 3.960 0.001 0.000 0.232 1198 G C 0.683 175.427 174.900 -0.259 0.000 0.986 1198 G CA -0.168 44.846 45.100 -0.142 0.000 0.643 1198 G HN 0.486 nan 8.290 nan 0.000 0.522 1199 G N -0.340 108.066 108.800 -0.656 0.000 2.544 1199 G HA2 0.561 4.521 3.960 0.001 0.000 0.242 1199 G HA3 0.561 4.521 3.960 0.001 0.000 0.242 1199 G C -0.032 174.498 174.900 -0.617 0.000 1.247 1199 G CA 0.021 44.334 45.100 -1.310 0.000 0.840 1199 G HN 0.806 nan 8.290 nan 0.000 0.578 1200 L N 0.455 121.558 121.223 -0.200 0.000 2.371 1200 L HA 0.410 4.751 4.340 0.001 0.000 0.262 1200 L C 0.024 176.968 176.870 0.124 0.000 1.006 1200 L CA -0.991 53.843 54.840 -0.010 0.000 0.818 1200 L CB 2.155 44.256 42.059 0.069 0.000 1.354 1200 L HN 0.323 nan 8.230 nan 0.000 0.415 1201 L N 1.451 122.496 121.223 -0.296 0.000 2.461 1201 L HA 0.107 4.447 4.340 0.001 0.000 0.272 1201 L C 0.018 176.950 176.870 0.104 0.000 1.197 1201 L CA -0.055 54.547 54.840 -0.397 0.000 0.836 1201 L CB 0.193 41.560 42.059 -1.154 0.000 1.105 1201 L HN 0.497 nan 8.230 nan 0.000 0.477 1202 D N 2.099 122.591 120.400 0.153 0.000 2.339 1202 D HA 0.050 4.690 4.640 0.001 0.000 0.245 1202 D C 0.044 176.491 176.300 0.245 0.000 1.115 1202 D CA -0.307 53.819 54.000 0.211 0.000 0.917 1202 D CB 0.992 41.862 40.800 0.117 0.000 1.192 1202 D HN 0.319 nan 8.370 nan 0.000 0.428 1203 K N 2.563 122.850 120.400 -0.188 0.000 2.436 1203 K HA 0.082 4.403 4.320 0.001 0.000 0.282 1203 K C -2.098 174.359 176.600 -0.239 0.000 1.044 1203 K CA -1.036 54.853 56.287 -0.663 0.000 1.028 1203 K CB 0.379 32.067 32.500 -1.354 0.000 0.919 1203 K HN 0.181 nan 8.250 nan 0.000 0.474 1204 P HA 0.005 nan 4.420 nan 0.000 0.270 1204 P C -0.949 176.230 177.300 -0.203 0.000 1.223 1204 P CA -0.202 62.760 63.100 -0.230 0.000 0.785 1204 P CB 0.477 31.910 31.700 -0.446 0.000 0.923 1205 D N 2.046 122.343 120.400 -0.173 0.000 2.493 1205 D HA -0.034 4.607 4.640 0.001 0.000 0.240 1205 D C 0.959 177.180 176.300 -0.133 0.000 1.142 1205 D CA 0.661 54.580 54.000 -0.135 0.000 0.872 1205 D CB -0.424 40.309 40.800 -0.111 0.000 1.173 1205 D HN 0.337 nan 8.370 nan 0.000 0.467 1206 N N -0.092 118.541 118.700 -0.111 0.000 2.741 1206 N HA -0.219 4.522 4.740 0.001 0.000 0.251 1206 N C -0.176 175.276 175.510 -0.096 0.000 1.112 1206 N CA 0.382 53.376 53.050 -0.093 0.000 0.750 1206 N CB -1.768 36.669 38.487 -0.083 0.000 1.119 1206 N HN 0.458 nan 8.380 nan 0.000 0.561 1207 C N 2.177 121.407 119.300 -0.116 0.000 2.576 1207 C HA 0.307 4.768 4.460 0.001 0.000 0.401 1207 C C -1.648 173.311 174.990 -0.052 0.000 1.314 1207 C CA -1.279 57.682 59.018 -0.095 0.000 1.855 1207 C CB -0.376 27.297 27.740 -0.112 0.000 2.537 1207 C HN 0.178 nan 8.230 nan 0.000 0.578 1208 P HA 0.063 nan 4.420 nan 0.000 0.264 1208 P C 0.454 177.769 177.300 0.024 0.000 1.183 1208 P CA 0.455 63.547 63.100 -0.013 0.000 0.763 1208 P CB 0.563 32.253 31.700 -0.018 0.000 0.807 1209 D N 2.538 122.956 120.400 0.030 0.000 2.116 1209 D HA -0.201 4.440 4.640 0.001 0.000 0.193 1209 D C 1.666 178.009 176.300 0.072 0.000 0.998 1209 D CA 1.826 55.868 54.000 0.071 0.000 0.836 1209 D CB -0.523 40.305 40.800 0.047 0.000 0.951 1209 D HN 0.452 nan 8.370 nan 0.000 0.449 1210 M N -0.315 119.300 119.600 0.026 0.000 2.202 1210 M HA -0.077 4.403 4.480 0.001 0.000 0.262 1210 M C 1.905 178.197 176.300 -0.012 0.000 1.063 1210 M CA 1.383 56.683 55.300 0.000 0.000 1.097 1210 M CB -0.728 31.865 32.600 -0.011 0.000 1.382 1210 M HN 0.010 nan 8.290 nan 0.000 0.413 1211 L N -0.554 120.672 121.223 0.004 0.000 2.072 1211 L HA 0.047 4.387 4.340 0.001 0.000 0.205 1211 L C 2.265 179.130 176.870 -0.008 0.000 1.079 1211 L CA 1.635 56.465 54.840 -0.015 0.000 0.752 1211 L CB -0.944 41.108 42.059 -0.012 0.000 0.906 1211 L HN 0.443 nan 8.230 nan 0.000 0.436 1212 F N 0.528 120.419 119.950 -0.098 0.000 2.186 1212 F HA -0.127 4.401 4.527 0.001 0.000 0.299 1212 F C 2.268 177.986 175.800 -0.137 0.000 1.090 1212 F CA 1.515 59.453 58.000 -0.104 0.000 1.307 1212 F CB -0.223 38.755 39.000 -0.036 0.000 1.019 1212 F HN 0.222 nan 8.300 nan 0.000 0.489 1213 E N -0.115 119.987 120.200 -0.163 0.000 2.110 1213 E HA -0.230 4.120 4.350 0.001 0.000 0.193 1213 E C 2.098 178.519 176.600 -0.298 0.000 0.988 1213 E CA 1.279 57.534 56.400 -0.243 0.000 0.804 1213 E CB -0.435 29.208 29.700 -0.095 0.000 0.745 1213 E HN 0.351 nan 8.360 nan 0.000 0.458 1214 L N 0.663 121.742 121.223 -0.240 0.000 2.056 1214 L HA -0.129 4.211 4.340 0.001 0.000 0.207 1214 L C 2.120 178.741 176.870 -0.414 0.000 1.078 1214 L CA 1.606 56.308 54.840 -0.229 0.000 0.749 1214 L CB -0.279 41.708 42.059 -0.119 0.000 0.901 1214 L HN 0.131 nan 8.230 nan 0.000 0.433 1215 M N -1.209 118.026 119.600 -0.608 0.000 2.080 1215 M HA -0.197 4.283 4.480 0.001 0.000 0.260 1215 M C 2.238 177.719 176.300 -1.364 0.000 1.068 1215 M CA 1.470 56.065 55.300 -1.174 0.000 1.109 1215 M CB -0.404 31.456 32.600 -1.234 0.000 1.342 1215 M HN 0.128 nan 8.290 nan 0.000 0.405 1216 R N -0.072 119.862 120.500 -0.943 0.000 2.120 1216 R HA -0.058 4.283 4.340 0.001 0.000 0.234 1216 R C 1.936 178.034 176.300 -0.337 0.000 1.123 1216 R CA 1.184 56.954 56.100 -0.550 0.000 0.975 1216 R CB -0.603 29.392 30.300 -0.508 0.000 0.866 1216 R HN 0.433 nan 8.270 nan 0.000 0.446 1217 M N -0.609 118.785 119.600 -0.344 0.000 2.200 1217 M HA -0.093 4.388 4.480 0.001 0.000 0.265 1217 M C 2.312 178.495 176.300 -0.194 0.000 1.066 1217 M CA 0.977 56.153 55.300 -0.206 0.000 1.127 1217 M CB -0.911 31.585 32.600 -0.173 0.000 1.379 1217 M HN 0.089 nan 8.290 nan 0.000 0.420 1218 C N -1.096 117.998 119.300 -0.342 0.000 2.448 1218 C HA -0.108 4.352 4.460 0.001 0.000 0.280 1218 C C 1.671 176.576 174.990 -0.141 0.000 1.398 1218 C CA 0.055 58.910 59.018 -0.271 0.000 1.774 1218 C CB -1.067 26.441 27.740 -0.386 0.000 1.888 1218 C HN 0.594 nan 8.230 nan 0.000 0.519 1219 W N 0.719 121.845 121.300 -0.291 0.000 3.194 1219 W HA 0.307 4.968 4.660 0.001 0.000 0.408 1219 W C 0.502 177.060 176.519 0.064 0.000 1.072 1219 W CA -0.747 56.358 57.345 -0.401 0.000 1.953 1219 W CB -1.132 27.906 29.460 -0.703 0.000 1.091 1219 W HN 0.344 nan 8.180 nan 0.000 0.699 1220 Q N 0.321 120.267 119.800 0.244 0.000 2.315 1220 Q HA -0.130 4.210 4.340 0.001 0.000 0.289 1220 Q C 1.032 177.218 176.000 0.309 0.000 1.044 1220 Q CA 0.371 56.299 55.803 0.208 0.000 0.920 1220 Q CB 0.816 29.608 28.738 0.090 0.000 1.214 1220 Q HN 0.331 nan 8.270 nan 0.000 0.392 1221 Y N 3.527 123.927 120.300 0.166 0.000 2.181 1221 Y HA -0.224 4.326 4.550 0.001 0.000 0.288 1221 Y C 0.197 176.118 175.900 0.036 0.000 1.146 1221 Y CA 1.325 59.491 58.100 0.110 0.000 1.164 1221 Y CB 0.369 38.850 38.460 0.035 0.000 0.982 1221 Y HN 0.607 nan 8.280 nan 0.000 0.515 1222 N N 1.787 120.577 118.700 0.150 0.000 2.420 1222 N HA 0.073 4.813 4.740 0.001 0.000 0.262 1222 N C -1.997 173.470 175.510 -0.072 0.000 1.144 1222 N CA -0.965 52.102 53.050 0.028 0.000 0.952 1222 N CB 0.856 39.362 38.487 0.031 0.000 1.081 1222 N HN 0.112 nan 8.380 nan 0.000 0.480 1223 P HA -0.226 nan 4.420 nan 0.000 0.216 1223 P C 0.661 177.629 177.300 -0.555 0.000 1.157 1223 P CA 1.486 64.447 63.100 -0.232 0.000 0.880 1223 P CB 0.273 31.892 31.700 -0.135 0.000 0.791 1224 K N -1.282 118.765 120.400 -0.587 0.000 2.362 1224 K HA 0.006 4.327 4.320 0.001 0.000 0.200 1224 K C 1.866 178.284 176.600 -0.303 0.000 1.046 1224 K CA 1.004 56.929 56.287 -0.603 0.000 0.952 1224 K CB -0.327 31.963 32.500 -0.350 0.000 0.753 1224 K HN 0.237 nan 8.250 nan 0.000 0.466 1225 M N 0.259 119.746 119.600 -0.189 0.000 2.595 1225 M HA -0.000 4.480 4.480 0.001 0.000 0.248 1225 M C 0.269 176.519 176.300 -0.084 0.000 1.119 1225 M CA 0.546 55.786 55.300 -0.099 0.000 1.079 1225 M CB 0.194 32.767 32.600 -0.044 0.000 1.472 1225 M HN -0.044 nan 8.290 nan 0.000 0.501 1226 R N 1.661 122.100 120.500 -0.102 0.000 2.582 1226 R HA 0.222 4.562 4.340 0.001 0.000 0.271 1226 R C -2.190 174.059 176.300 -0.085 0.000 1.078 1226 R CA -1.398 54.663 56.100 -0.066 0.000 1.127 1226 R CB -0.114 30.179 30.300 -0.012 0.000 1.038 1226 R HN -0.009 nan 8.270 nan 0.000 0.500 1227 P HA 0.036 nan 4.420 nan 0.000 0.276 1227 P C -0.706 176.512 177.300 -0.136 0.000 1.244 1227 P CA -0.439 62.604 63.100 -0.095 0.000 0.801 1227 P CB 1.196 32.836 31.700 -0.100 0.000 1.006 1228 S N 0.345 115.995 115.700 -0.083 0.000 2.645 1228 S HA 0.229 4.700 4.470 0.001 0.000 0.266 1228 S C 1.090 175.590 174.600 -0.165 0.000 1.258 1228 S CA -0.368 57.777 58.200 -0.092 0.000 0.990 1228 S CB -0.096 63.134 63.200 0.049 0.000 0.967 1228 S HN 0.235 nan 8.310 nan 0.000 0.556 1229 F N 0.226 120.171 119.950 -0.009 0.000 2.216 1229 F HA 0.037 4.564 4.527 0.001 0.000 0.300 1229 F C 2.057 177.855 175.800 -0.002 0.000 1.085 1229 F CA 0.937 58.884 58.000 -0.088 0.000 1.326 1229 F CB -0.736 38.220 39.000 -0.073 0.000 1.027 1229 F HN 0.445 nan 8.300 nan 0.000 0.497 1230 L N -0.438 120.941 121.223 0.259 0.000 2.046 1230 L HA -0.203 4.137 4.340 0.001 0.000 0.208 1230 L C 2.295 179.274 176.870 0.180 0.000 1.077 1230 L CA 1.455 56.465 54.840 0.284 0.000 0.747 1230 L CB -0.643 41.577 42.059 0.268 0.000 0.896 1230 L HN 0.158 nan 8.230 nan 0.000 0.432 1231 E N 0.185 120.440 120.200 0.092 0.000 2.106 1231 E HA -0.201 4.149 4.350 0.001 0.000 0.192 1231 E C 2.275 178.870 176.600 -0.009 0.000 0.984 1231 E CA 1.030 57.454 56.400 0.039 0.000 0.806 1231 E CB -0.042 29.663 29.700 0.007 0.000 0.750 1231 E HN 0.489 nan 8.360 nan 0.000 0.458 1232 I N 0.959 121.507 120.570 -0.037 0.000 2.179 1232 I HA -0.286 3.885 4.170 0.001 0.000 0.242 1232 I C 2.325 178.397 176.117 -0.075 0.000 1.088 1232 I CA 1.135 62.397 61.300 -0.063 0.000 1.357 1232 I CB -0.200 37.728 38.000 -0.121 0.000 1.051 1232 I HN 0.107 nan 8.210 nan 0.000 0.409 1233 I N -0.010 120.501 120.570 -0.098 0.000 2.226 1233 I HA -0.269 3.902 4.170 0.001 0.000 0.245 1233 I C 2.585 178.483 176.117 -0.365 0.000 1.100 1233 I CA 1.165 62.310 61.300 -0.259 0.000 1.374 1233 I CB -0.378 37.409 38.000 -0.355 0.000 1.057 1233 I HN 0.135 nan 8.210 nan 0.000 0.413 1234 S N 0.580 116.134 115.700 -0.243 0.000 2.383 1234 S HA -0.179 4.292 4.470 0.001 0.000 0.229 1234 S C 2.122 176.681 174.600 -0.068 0.000 1.030 1234 S CA 1.762 59.897 58.200 -0.107 0.000 1.002 1234 S CB -0.344 62.900 63.200 0.073 0.000 0.829 1234 S HN 0.648 nan 8.310 nan 0.000 0.467 1235 S N 1.547 117.208 115.700 -0.065 0.000 2.489 1235 S HA 0.070 4.540 4.470 0.001 0.000 0.228 1235 S C 1.416 175.982 174.600 -0.056 0.000 0.995 1235 S CA 0.637 58.810 58.200 -0.045 0.000 0.934 1235 S CB -0.604 62.572 63.200 -0.040 0.000 0.771 1235 S HN 0.756 nan 8.310 nan 0.000 0.522 1236 I N -1.917 118.598 120.570 -0.092 0.000 4.338 1236 I HA 0.353 4.523 4.170 0.001 0.000 0.329 1236 I C 1.596 177.638 176.117 -0.126 0.000 1.378 1236 I CA -0.490 60.752 61.300 -0.097 0.000 1.170 1236 I CB 0.065 38.005 38.000 -0.100 0.000 1.206 1236 I HN 0.097 nan 8.210 nan 0.000 0.432 1237 K N 1.246 121.565 120.400 -0.134 0.000 2.160 1237 K HA -0.120 4.200 4.320 0.001 0.000 0.206 1237 K C 1.112 177.725 176.600 0.021 0.000 1.047 1237 K CA 1.505 57.746 56.287 -0.076 0.000 0.930 1237 K CB -0.340 32.155 32.500 -0.008 0.000 0.720 1237 K HN 0.304 nan 8.250 nan 0.000 0.450 1238 E N 1.312 121.523 120.200 0.018 0.000 2.418 1238 E HA -0.105 4.245 4.350 0.001 0.000 0.197 1238 E C 0.935 177.536 176.600 0.001 0.000 1.026 1238 E CA 0.897 57.315 56.400 0.031 0.000 0.862 1238 E CB 0.120 29.837 29.700 0.028 0.000 0.799 1238 E HN 0.615 nan 8.360 nan 0.000 0.518 1239 E N -0.334 119.846 120.200 -0.033 0.000 2.481 1239 E HA 0.096 4.446 4.350 0.001 0.000 0.198 1239 E C 0.396 176.955 176.600 -0.068 0.000 1.027 1239 E CA -0.211 56.163 56.400 -0.044 0.000 0.900 1239 E CB 0.388 30.058 29.700 -0.049 0.000 0.993 1239 E HN 0.063 nan 8.360 nan 0.000 0.482 1240 M N 1.187 120.730 119.600 -0.095 0.000 2.247 1240 M HA 0.196 4.676 4.480 0.001 0.000 0.326 1240 M C 0.424 176.711 176.300 -0.021 0.000 1.134 1240 M CA -0.019 55.196 55.300 -0.141 0.000 1.136 1240 M CB 0.375 32.764 32.600 -0.351 0.000 1.454 1240 M HN -0.078 nan 8.290 nan 0.000 0.467 1241 E N 1.607 121.817 120.200 0.017 0.000 2.398 1241 E HA 0.036 4.386 4.350 0.001 0.000 0.263 1241 E C -1.569 175.092 176.600 0.101 0.000 1.046 1241 E CA -1.399 55.038 56.400 0.062 0.000 0.908 1241 E CB 0.272 30.021 29.700 0.081 0.000 0.963 1241 E HN 0.366 nan 8.360 nan 0.000 0.431 1242 P HA -0.207 nan 4.420 nan 0.000 0.216 1242 P C 1.237 178.563 177.300 0.045 0.000 1.154 1242 P CA 1.457 64.581 63.100 0.039 0.000 0.865 1242 P CB 0.080 31.790 31.700 0.017 0.000 0.789 1243 G N -1.527 107.315 108.800 0.070 0.000 2.470 1243 G HA2 -0.280 3.681 3.960 0.001 0.000 0.220 1243 G HA3 -0.280 3.681 3.960 0.001 0.000 0.220 1243 G C 1.307 176.262 174.900 0.091 0.000 1.121 1243 G CA 0.053 45.186 45.100 0.054 0.000 0.766 1243 G HN 0.186 nan 8.290 nan 0.000 0.553 1244 F N 1.542 121.512 119.950 0.033 0.000 2.154 1244 F HA -0.114 4.413 4.527 0.001 0.000 0.301 1244 F C 2.598 178.449 175.800 0.085 0.000 1.087 1244 F CA 1.777 59.845 58.000 0.113 0.000 1.274 1244 F CB -0.093 38.991 39.000 0.140 0.000 1.009 1244 F HN 0.153 nan 8.300 nan 0.000 0.485 1245 R N 0.011 120.456 120.500 -0.093 0.000 2.120 1245 R HA -0.214 4.126 4.340 0.001 0.000 0.234 1245 R C 2.020 178.178 176.300 -0.237 0.000 1.123 1245 R CA 1.819 57.645 56.100 -0.458 0.000 0.975 1245 R CB -0.334 29.606 30.300 -0.600 0.000 0.866 1245 R HN 0.279 nan 8.270 nan 0.000 0.446 1246 E N -0.158 119.946 120.200 -0.159 0.000 2.318 1246 E HA -0.067 4.283 4.350 0.001 0.000 0.193 1246 E C 1.524 178.034 176.600 -0.151 0.000 0.998 1246 E CA 0.981 57.305 56.400 -0.128 0.000 0.859 1246 E CB 0.553 30.190 29.700 -0.105 0.000 0.812 1246 E HN 0.315 nan 8.360 nan 0.000 0.492 1247 V N -1.966 117.825 119.914 -0.205 0.000 3.645 1247 V HA 0.326 4.446 4.120 0.001 0.000 0.275 1247 V C 0.841 176.810 176.094 -0.208 0.000 1.356 1247 V CA 0.155 62.280 62.300 -0.292 0.000 1.051 1247 V CB -0.209 31.238 31.823 -0.626 0.000 0.828 1247 V HN 0.170 nan 8.190 nan 0.000 0.441 1248 S N 0.092 115.650 115.700 -0.236 0.000 2.592 1248 S HA 0.346 4.817 4.470 0.001 0.000 0.271 1248 S C 0.646 175.266 174.600 0.033 0.000 1.326 1248 S CA 0.131 58.215 58.200 -0.193 0.000 1.024 1248 S CB 0.957 63.577 63.200 -0.967 0.000 0.921 1248 S HN 0.465 nan 8.310 nan 0.000 0.527 1249 F N 2.091 122.079 119.950 0.063 0.000 2.206 1249 F HA -0.004 4.524 4.527 0.001 0.000 0.298 1249 F C 1.912 177.783 175.800 0.118 0.000 1.090 1249 F CA 1.050 59.122 58.000 0.121 0.000 1.323 1249 F CB -0.850 38.287 39.000 0.229 0.000 1.028 1249 F HN 0.813 nan 8.300 nan 0.000 0.492 1250 Y N 0.188 120.377 120.300 -0.184 0.000 2.069 1250 Y HA -0.341 4.210 4.550 0.001 0.000 0.278 1250 Y C 1.585 177.235 175.900 -0.417 0.000 1.175 1250 Y CA 2.401 60.302 58.100 -0.331 0.000 1.134 1250 Y CB -0.986 37.413 38.460 -0.102 0.000 0.965 1250 Y HN 0.171 nan 8.280 nan 0.000 0.498 1251 Y N 0.214 120.440 120.300 -0.124 0.000 2.470 1251 Y HA 0.144 4.694 4.550 0.000 0.000 0.284 1251 Y C 1.305 177.098 175.900 -0.179 0.000 1.188 1251 Y CA -0.017 57.992 58.100 -0.151 0.000 1.269 1251 Y CB -0.313 38.131 38.460 -0.027 0.000 1.094 1251 Y HN 0.025 nan 8.280 nan 0.000 0.518 1252 S N -0.624 115.007 115.700 -0.115 0.000 2.624 1252 S HA 0.004 4.475 4.470 0.001 0.000 0.263 1252 S C 1.331 175.872 174.600 -0.098 0.000 1.287 1252 S CA -0.516 57.641 58.200 -0.072 0.000 0.990 1252 S CB 1.345 64.538 63.200 -0.012 0.000 0.950 1252 S HN 0.510 nan 8.310 nan 0.000 0.561 1253 E N 0.428 120.611 120.200 -0.027 0.000 2.204 1253 E HA -0.167 4.183 4.350 0.001 0.000 0.194 1253 E C 1.357 177.949 176.600 -0.014 0.000 0.989 1253 E CA 1.058 57.446 56.400 -0.019 0.000 0.824 1253 E CB -0.183 29.524 29.700 0.012 0.000 0.756 1253 E HN 0.838 nan 8.360 nan 0.000 0.477 1254 E N -0.046 120.172 120.200 0.030 0.000 2.516 1254 E HA -0.116 4.235 4.350 0.001 0.000 0.199 1254 E C 0.769 177.377 176.600 0.013 0.000 1.069 1254 E CA 0.375 56.843 56.400 0.115 0.000 0.876 1254 E CB 0.022 29.925 29.700 0.338 0.000 0.843 1254 E HN 0.123 nan 8.360 nan 0.000 0.530 1255 N N -0.008 118.556 118.700 -0.227 0.000 2.240 1255 N HA 0.063 4.803 4.740 0.001 0.000 0.240 1255 N C 0.628 175.963 175.510 -0.292 0.000 1.277 1255 N CA -0.049 52.778 53.050 -0.372 0.000 0.873 1255 N CB 0.413 38.345 38.487 -0.925 0.000 1.222 1255 N HN -0.125 nan 8.380 nan 0.000 0.507 1256 K N -0.248 120.044 120.400 -0.181 0.000 2.097 1256 K HA 0.063 4.383 4.320 0.001 0.000 0.205 1256 K C 0.055 176.589 176.600 -0.111 0.000 1.050 1256 K CA 0.778 56.979 56.287 -0.143 0.000 0.938 1256 K CB 0.205 32.657 32.500 -0.081 0.000 0.718 1256 K HN 0.220 nan 8.250 nan 0.000 0.442 1257 L N 2.168 123.346 121.223 -0.076 0.000 2.307 1257 L HA 0.142 4.483 4.340 0.001 0.000 0.282 1257 L C -1.169 175.673 176.870 -0.047 0.000 1.051 1257 L CA -1.605 53.206 54.840 -0.049 0.000 0.804 1257 L CB 0.945 42.990 42.059 -0.024 0.000 1.197 1257 L HN 0.015 nan 8.230 nan 0.000 0.431 1258 P HA -0.146 nan 4.420 nan 0.000 0.217 1258 P C -0.355 176.943 177.300 -0.003 0.000 1.150 1258 P CA 1.197 64.282 63.100 -0.024 0.000 0.832 1258 P CB 0.312 32.001 31.700 -0.017 0.000 0.787 1259 E N -1.177 119.023 120.200 -0.001 0.000 3.064 1259 E HA 0.287 4.638 4.350 0.001 0.000 0.362 1259 E C -2.734 173.870 176.600 0.006 0.000 1.042 1259 E CA -1.153 55.252 56.400 0.008 0.000 0.686 1259 E CB -1.270 28.439 29.700 0.014 0.000 1.368 1259 E HN -0.060 nan 8.360 nan 0.000 0.437 1260 P HA 0.000 nan 4.420 nan 0.000 0.216 1260 P CA 0.000 63.104 63.100 0.006 0.000 0.800 1260 P CB 0.000 31.705 31.700 0.008 0.000 0.726