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 2o2k_1_A DATA FIRST_RESID 926 DATA SEQUENCE ERRYLPLSQA RKSGFQMDWL SEPHPVKPTF IGTQVFEEYD LQKLVDYIDW DATA SEQUENCE KPFFDVWQLR GKYPNRGFPK IFNDKXXXGE ARKVYDDAHN MLNTLISQKK DATA SEQUENCE LRARGVVGFW PAQSIQDDIH LYAEAAVPQA AEPIATFYGL RQQAENXXXS DATA SEQUENCE TEPYYCLSDF IAPLHSGIRD YLGLFAVACF GVEELSKAYE DDGDDYSSIM DATA SEQUENCE VKALGDRLAE AFAEELHERV RRELWAYCGS EQLDVADLRR LRYKGIRPAP DATA SEQUENCE GYPSQPDHTE KLTMWRLADI EQSTGIRLTE SLAMAPASAV SGLYFSNLKS DATA SEQUENCE KYFAVGKISK DQVEDYALRK NISVAEVEKW LGPILGYD 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 926 E HA 0.000 nan 4.350 nan 0.000 0.291 926 E C 0.000 176.618 176.600 0.029 0.000 1.382 926 E CA 0.000 56.425 56.400 0.042 0.000 0.976 926 E CB 0.000 29.715 29.700 0.025 0.000 0.812 927 R N 1.685 122.205 120.500 0.034 0.000 2.489 927 R HA 0.463 4.802 4.340 -0.001 0.000 0.287 927 R C -0.036 176.199 176.300 -0.108 0.000 1.053 927 R CA 0.754 56.822 56.100 -0.053 0.000 1.036 927 R CB 0.433 30.700 30.300 -0.056 0.000 0.966 927 R HN 0.268 nan 8.270 nan 0.000 0.432 928 R N 3.969 124.350 120.500 -0.199 0.000 2.297 928 R HA 0.302 4.642 4.340 -0.001 0.000 0.308 928 R C -1.464 174.638 176.300 -0.330 0.000 1.029 928 R CA -0.083 55.934 56.100 -0.138 0.000 0.929 928 R CB 0.360 30.627 30.300 -0.055 0.000 1.046 928 R HN 0.681 nan 8.270 nan 0.000 0.461 929 Y N 1.232 121.567 120.300 0.059 0.000 2.409 929 Y HA 0.455 5.005 4.550 -0.001 0.000 0.343 929 Y C 0.004 175.919 175.900 0.025 0.000 0.973 929 Y CA -1.189 56.948 58.100 0.062 0.000 1.064 929 Y CB 2.249 40.748 38.460 0.065 0.000 1.207 929 Y HN 0.614 nan 8.280 nan 0.000 0.452 930 L N 6.439 127.742 121.223 0.133 0.000 2.367 930 L HA 0.459 4.798 4.340 -0.001 0.000 0.275 930 L C -2.427 174.435 176.870 -0.014 0.000 1.129 930 L CA -2.008 52.827 54.840 -0.009 0.000 0.839 930 L CB 0.358 42.288 42.059 -0.215 0.000 1.133 930 L HN 0.371 nan 8.230 nan 0.000 0.453 931 P HA -0.076 nan 4.420 nan 0.000 0.266 931 P C 0.585 177.856 177.300 -0.048 0.000 1.193 931 P CA -0.168 62.921 63.100 -0.019 0.000 0.770 931 P CB 0.492 32.180 31.700 -0.020 0.000 0.836 932 L N 3.937 125.144 121.223 -0.027 0.000 2.043 932 L HA -0.266 4.073 4.340 -0.001 0.000 0.212 932 L C 2.171 179.019 176.870 -0.037 0.000 1.075 932 L CA 2.693 57.519 54.840 -0.023 0.000 0.752 932 L CB -1.559 40.503 42.059 0.006 0.000 0.891 932 L HN 0.464 nan 8.230 nan 0.000 0.432 933 S N -1.677 114.006 115.700 -0.028 0.000 2.383 933 S HA -0.259 4.210 4.470 -0.001 0.000 0.229 933 S C 1.851 176.422 174.600 -0.049 0.000 1.030 933 S CA 1.374 59.559 58.200 -0.025 0.000 1.002 933 S CB -0.651 62.540 63.200 -0.015 0.000 0.829 933 S HN 0.697 nan 8.310 nan 0.000 0.467 934 Q N 0.908 120.661 119.800 -0.077 0.000 2.137 934 Q HA 0.186 4.526 4.340 -0.001 0.000 0.198 934 Q C 2.652 178.530 176.000 -0.203 0.000 0.960 934 Q CA 1.020 56.757 55.803 -0.110 0.000 0.847 934 Q CB -0.453 28.223 28.738 -0.103 0.000 0.915 934 Q HN 0.746 nan 8.270 nan 0.000 0.448 935 A N 1.498 124.145 122.820 -0.288 0.000 1.933 935 A HA -0.210 4.109 4.320 -0.001 0.000 0.218 935 A C 2.017 179.496 177.584 -0.175 0.000 1.175 935 A CA 1.310 53.074 52.037 -0.455 0.000 0.628 935 A CB -0.355 18.427 19.000 -0.364 0.000 0.814 935 A HN 0.201 nan 8.150 nan 0.000 0.444 936 R N -0.804 119.646 120.500 -0.084 0.000 2.092 936 R HA -0.093 4.246 4.340 -0.001 0.000 0.231 936 R C 2.446 178.737 176.300 -0.016 0.000 1.119 936 R CA 1.440 57.527 56.100 -0.021 0.000 0.970 936 R CB -0.267 30.034 30.300 0.000 0.000 0.864 936 R HN 0.407 nan 8.270 nan 0.000 0.440 937 K N 0.318 120.699 120.400 -0.031 0.000 2.097 937 K HA -0.014 4.305 4.320 -0.001 0.000 0.206 937 K C 1.386 177.983 176.600 -0.006 0.000 1.049 937 K CA 1.536 57.813 56.287 -0.016 0.000 0.933 937 K CB -0.109 32.379 32.500 -0.021 0.000 0.717 937 K HN 0.183 nan 8.250 nan 0.000 0.442 938 S N 0.309 116.008 115.700 -0.001 0.000 2.618 938 S HA 0.331 4.800 4.470 -0.001 0.000 0.242 938 S C 0.557 175.228 174.600 0.118 0.000 0.972 938 S CA -0.065 58.181 58.200 0.077 0.000 1.004 938 S CB 0.413 63.715 63.200 0.171 0.000 0.778 938 S HN 0.670 nan 8.310 nan 0.000 0.459 939 G N 1.070 109.892 108.800 0.038 0.000 2.667 939 G HA2 0.326 4.285 3.960 -0.001 0.000 0.250 939 G HA3 0.326 4.285 3.960 -0.001 0.000 0.250 939 G C -0.364 174.494 174.900 -0.070 0.000 1.212 939 G CA -0.515 44.587 45.100 0.005 0.000 0.874 939 G HN 0.376 nan 8.290 nan 0.000 0.561 940 F N 0.548 120.296 119.950 -0.335 0.000 2.578 940 F HA 0.227 4.754 4.527 -0.001 0.000 0.381 940 F C 0.359 176.055 175.800 -0.172 0.000 1.069 940 F CA -0.286 57.472 58.000 -0.403 0.000 1.231 940 F CB 0.767 39.375 39.000 -0.653 0.000 1.086 940 F HN 0.162 nan 8.300 nan 0.000 0.564 941 Q N 7.443 126.682 119.800 -0.935 0.000 2.372 941 Q HA 0.157 4.496 4.340 -0.001 0.000 0.259 941 Q C 0.567 175.954 176.000 -1.023 0.000 0.993 941 Q CA -0.489 54.888 55.803 -0.710 0.000 0.854 941 Q CB 1.597 30.111 28.738 -0.373 0.000 1.231 941 Q HN 0.948 nan 8.270 nan 0.000 0.462 942 M N 1.661 120.729 119.600 -0.887 0.000 2.419 942 M HA -0.077 4.402 4.480 -0.001 0.000 0.264 942 M C -0.391 175.463 176.300 -0.743 0.000 1.082 942 M CA 0.993 55.721 55.300 -0.952 0.000 1.119 942 M CB 0.106 31.809 32.600 -1.495 0.000 1.398 942 M HN 0.710 nan 8.290 nan 0.000 0.453 943 D N -1.137 118.936 120.400 -0.545 0.000 2.990 943 D HA -0.231 4.409 4.640 -0.001 0.000 0.245 943 D C -0.138 176.036 176.300 -0.210 0.000 1.120 943 D CA 0.569 54.406 54.000 -0.272 0.000 0.838 943 D CB -1.393 39.289 40.800 -0.197 0.000 1.000 943 D HN 0.607 nan 8.370 nan 0.000 0.420 944 W N 1.546 122.845 121.300 -0.002 0.000 2.374 944 W HA -0.027 4.633 4.660 -0.001 0.000 0.288 944 W C 2.510 179.055 176.519 0.043 0.000 1.218 944 W CA 0.463 57.828 57.345 0.034 0.000 1.245 944 W CB -0.270 29.215 29.460 0.042 0.000 1.126 944 W HN 0.355 nan 8.180 nan 0.000 0.545 945 L N -0.346 121.005 121.223 0.214 0.000 2.127 945 L HA -0.246 4.093 4.340 -0.001 0.000 0.211 945 L C 1.942 178.870 176.870 0.097 0.000 1.089 945 L CA 1.270 56.194 54.840 0.140 0.000 0.757 945 L CB -0.696 41.417 42.059 0.090 0.000 0.899 945 L HN -0.132 nan 8.230 nan 0.000 0.434 946 S N -1.863 113.871 115.700 0.057 0.000 2.556 946 S HA 0.083 4.552 4.470 -0.001 0.000 0.216 946 S C 0.517 175.132 174.600 0.026 0.000 0.970 946 S CA -0.181 58.033 58.200 0.023 0.000 0.912 946 S CB 0.066 63.259 63.200 -0.012 0.000 0.790 946 S HN 0.232 nan 8.310 nan 0.000 0.504 947 E N 3.298 123.541 120.200 0.071 0.000 2.366 947 E HA 0.223 4.572 4.350 -0.001 0.000 0.266 947 E C -2.177 174.498 176.600 0.125 0.000 1.051 947 E CA -1.767 54.688 56.400 0.091 0.000 0.884 947 E CB 0.255 30.064 29.700 0.183 0.000 1.006 947 E HN 0.192 nan 8.360 nan 0.000 0.417 948 P HA 0.110 nan 4.420 nan 0.000 0.274 948 P C -0.560 176.880 177.300 0.235 0.000 1.237 948 P CA -0.058 63.097 63.100 0.091 0.000 0.793 948 P CB 0.529 32.272 31.700 0.071 0.000 0.977 949 H N 0.945 120.095 119.070 0.134 0.000 2.848 949 H HA 0.164 4.719 4.556 -0.001 0.000 0.317 949 H C -1.540 173.898 175.328 0.183 0.000 1.046 949 H CA -1.446 54.698 56.048 0.160 0.000 1.470 949 H CB -0.259 29.584 29.762 0.135 0.000 1.483 949 H HN 0.321 nan 8.280 nan 0.000 0.548 950 P HA -0.096 nan 4.420 nan 0.000 0.266 950 P C -0.591 176.929 177.300 0.366 0.000 1.193 950 P CA -0.016 63.285 63.100 0.335 0.000 0.770 950 P CB 0.579 32.517 31.700 0.396 0.000 0.836 951 V N 3.283 123.395 119.914 0.330 0.000 2.530 951 V HA 0.091 4.210 4.120 -0.001 0.000 0.282 951 V C 0.815 177.022 176.094 0.189 0.000 1.048 951 V CA -0.290 62.172 62.300 0.270 0.000 0.997 951 V CB 0.619 32.588 31.823 0.244 0.000 0.987 951 V HN 0.459 nan 8.190 nan 0.000 0.477 952 K N 6.594 126.907 120.400 -0.145 0.000 2.339 952 K HA 0.274 4.593 4.320 -0.001 0.000 0.286 952 K C -2.367 173.851 176.600 -0.638 0.000 1.050 952 K CA -1.362 54.446 56.287 -0.798 0.000 0.956 952 K CB 0.798 32.984 32.500 -0.523 0.000 0.990 952 K HN 0.389 nan 8.250 nan 0.000 0.475 953 P HA -0.056 nan 4.420 nan 0.000 0.270 953 P C 0.389 177.276 177.300 -0.689 0.000 1.227 953 P CA -0.108 62.319 63.100 -1.122 0.000 0.788 953 P CB 0.511 30.979 31.700 -2.054 0.000 0.926 954 T N -2.008 112.231 114.554 -0.526 0.000 3.007 954 T HA 0.043 4.392 4.350 -0.001 0.000 0.270 954 T C 0.370 175.058 174.700 -0.021 0.000 1.107 954 T CA 0.669 62.663 62.100 -0.177 0.000 1.118 954 T CB -1.003 67.868 68.868 0.006 0.000 0.889 954 T HN 0.463 nan 8.240 nan 0.000 0.506 955 F N -0.839 118.992 119.950 -0.199 0.000 2.668 955 F HA 0.764 5.291 4.527 -0.001 0.000 0.309 955 F C -1.635 174.067 175.800 -0.163 0.000 1.117 955 F CA -2.309 55.610 58.000 -0.135 0.000 0.951 955 F CB 1.067 40.023 39.000 -0.073 0.000 1.323 955 F HN -0.254 nan 8.300 nan 0.000 0.451 956 I N 2.123 122.707 120.570 0.023 0.000 2.433 956 I HA 0.803 4.973 4.170 -0.001 0.000 0.292 956 I C 0.575 176.645 176.117 -0.078 0.000 1.001 956 I CA -0.106 61.111 61.300 -0.138 0.000 1.119 956 I CB 0.615 38.574 38.000 -0.069 0.000 1.289 956 I HN 1.168 nan 8.210 nan 0.000 0.438 957 G N 4.919 113.446 108.800 -0.455 0.000 2.416 957 G HA2 -0.055 3.904 3.960 -0.001 0.000 0.203 957 G HA3 -0.055 3.904 3.960 -0.001 0.000 0.203 957 G C -0.376 174.389 174.900 -0.226 0.000 1.227 957 G CA -0.260 44.684 45.100 -0.259 0.000 1.041 957 G HN 0.865 nan 8.290 nan 0.000 0.546 958 T N -2.308 112.226 114.554 -0.033 0.000 2.940 958 T HA 0.740 5.089 4.350 -0.001 0.000 0.288 958 T C -0.281 174.305 174.700 -0.190 0.000 1.033 958 T CA 0.097 62.175 62.100 -0.037 0.000 1.033 958 T CB 2.274 71.135 68.868 -0.011 0.000 1.079 958 T HN 0.978 nan 8.240 nan 0.000 0.496 959 Q N 1.405 121.055 119.800 -0.250 0.000 2.330 959 Q HA 0.617 4.956 4.340 -0.001 0.000 0.269 959 Q C -1.733 173.960 176.000 -0.511 0.000 1.022 959 Q CA -0.850 54.654 55.803 -0.498 0.000 0.796 959 Q CB 1.899 30.238 28.738 -0.664 0.000 1.271 959 Q HN 0.685 nan 8.270 nan 0.000 0.450 960 V N 4.602 124.220 119.914 -0.493 0.000 2.483 960 V HA 0.460 4.579 4.120 -0.001 0.000 0.295 960 V C -0.826 174.978 176.094 -0.483 0.000 1.035 960 V CA -0.490 61.586 62.300 -0.373 0.000 0.896 960 V CB 1.159 32.881 31.823 -0.169 0.000 0.986 960 V HN 0.659 nan 8.190 nan 0.000 0.447 961 F N 2.559 122.575 119.950 0.110 0.000 2.332 961 F HA 0.406 4.932 4.527 -0.001 0.000 0.368 961 F C 1.113 177.004 175.800 0.153 0.000 1.110 961 F CA -0.404 57.711 58.000 0.191 0.000 1.087 961 F CB 1.438 40.673 39.000 0.391 0.000 1.235 961 F HN 0.501 nan 8.300 nan 0.000 0.470 962 E N 1.277 121.604 120.200 0.212 0.000 2.371 962 E HA 0.010 4.359 4.350 -0.001 0.000 0.194 962 E C -0.202 176.478 176.600 0.134 0.000 1.012 962 E CA 0.667 57.138 56.400 0.118 0.000 0.860 962 E CB 0.391 30.117 29.700 0.042 0.000 0.811 962 E HN 0.497 nan 8.360 nan 0.000 0.502 963 E N -1.984 118.338 120.200 0.204 0.000 2.449 963 E HA 0.491 4.840 4.350 -0.001 0.000 0.278 963 E C -1.703 175.051 176.600 0.258 0.000 0.992 963 E CA -0.818 55.687 56.400 0.175 0.000 0.807 963 E CB 1.480 31.227 29.700 0.079 0.000 1.350 963 E HN 0.190 nan 8.360 nan 0.000 0.462 964 Y N 0.201 120.467 120.300 -0.057 0.000 2.571 964 Y HA 0.361 4.910 4.550 -0.001 0.000 0.341 964 Y C -0.990 174.777 175.900 -0.221 0.000 1.076 964 Y CA -1.106 56.854 58.100 -0.234 0.000 1.029 964 Y CB 2.099 40.176 38.460 -0.639 0.000 1.308 964 Y HN 0.650 nan 8.280 nan 0.000 0.461 965 D N 4.033 124.189 120.400 -0.408 0.000 2.367 965 D HA 0.092 4.731 4.640 -0.001 0.000 0.255 965 D C 0.752 176.972 176.300 -0.133 0.000 1.300 965 D CA 0.631 54.486 54.000 -0.241 0.000 0.959 965 D CB 0.476 41.101 40.800 -0.291 0.000 1.064 965 D HN 0.694 nan 8.370 nan 0.000 0.509 966 L N 2.689 123.870 121.223 -0.070 0.000 2.093 966 L HA -0.177 4.162 4.340 -0.001 0.000 0.208 966 L C 2.247 179.106 176.870 -0.020 0.000 1.085 966 L CA 0.710 55.526 54.840 -0.040 0.000 0.755 966 L CB -0.296 41.754 42.059 -0.015 0.000 0.904 966 L HN 0.394 nan 8.230 nan 0.000 0.435 967 Q N 1.076 120.866 119.800 -0.016 0.000 2.124 967 Q HA -0.249 4.090 4.340 -0.001 0.000 0.202 967 Q C 2.111 178.130 176.000 0.031 0.000 0.977 967 Q CA 1.807 57.616 55.803 0.010 0.000 0.850 967 Q CB -0.149 28.593 28.738 0.007 0.000 0.901 967 Q HN 0.343 nan 8.270 nan 0.000 0.429 968 K N -0.531 119.875 120.400 0.011 0.000 2.097 968 K HA -0.104 4.215 4.320 -0.001 0.000 0.206 968 K C 1.829 178.520 176.600 0.151 0.000 1.049 968 K CA 1.179 57.500 56.287 0.058 0.000 0.933 968 K CB -0.157 32.333 32.500 -0.015 0.000 0.717 968 K HN 0.305 nan 8.250 nan 0.000 0.442 969 L N 0.556 121.827 121.223 0.080 0.000 2.201 969 L HA -0.129 4.210 4.340 -0.001 0.000 0.212 969 L C 2.274 179.225 176.870 0.135 0.000 1.105 969 L CA 0.449 55.351 54.840 0.102 0.000 0.775 969 L CB -0.331 41.721 42.059 -0.013 0.000 0.913 969 L HN 0.032 nan 8.230 nan 0.000 0.440 970 V N 0.070 120.035 119.914 0.085 0.000 2.380 970 V HA -0.338 3.781 4.120 -0.001 0.000 0.251 970 V C 2.014 178.195 176.094 0.143 0.000 1.063 970 V CA 1.979 64.325 62.300 0.077 0.000 1.055 970 V CB -0.517 31.360 31.823 0.091 0.000 0.657 970 V HN 0.506 nan 8.190 nan 0.000 0.455 971 D N -1.430 119.063 120.400 0.154 0.000 2.310 971 D HA -0.140 4.499 4.640 -0.001 0.000 0.212 971 D C 1.581 177.852 176.300 -0.049 0.000 0.965 971 D CA 1.236 55.279 54.000 0.072 0.000 0.879 971 D CB 0.008 40.804 40.800 -0.008 0.000 0.921 971 D HN 0.590 nan 8.370 nan 0.000 0.510 972 Y N 0.486 120.806 120.300 0.033 0.000 2.457 972 Y HA 0.221 4.770 4.550 -0.001 0.000 0.263 972 Y C 1.144 177.020 175.900 -0.041 0.000 1.164 972 Y CA -0.389 57.720 58.100 0.014 0.000 1.274 972 Y CB 0.374 38.842 38.460 0.013 0.000 1.097 972 Y HN -0.193 nan 8.280 nan 0.000 0.523 973 I N 1.460 122.017 120.570 -0.021 0.000 2.683 973 I HA -0.103 4.066 4.170 -0.001 0.000 0.286 973 I C 0.127 176.076 176.117 -0.279 0.000 1.175 973 I CA 0.312 61.423 61.300 -0.316 0.000 1.429 973 I CB 0.346 37.849 38.000 -0.830 0.000 1.371 973 I HN 0.075 nan 8.210 nan 0.000 0.569 974 D N 6.246 126.522 120.400 -0.206 0.000 2.411 974 D HA 0.082 4.721 4.640 -0.001 0.000 0.225 974 D C 0.328 176.598 176.300 -0.050 0.000 1.156 974 D CA -0.261 53.718 54.000 -0.035 0.000 0.874 974 D CB 0.459 41.285 40.800 0.042 0.000 1.034 974 D HN 0.345 nan 8.370 nan 0.000 0.502 975 W N 3.260 124.672 121.300 0.188 0.000 2.678 975 W HA 0.081 4.740 4.660 -0.001 0.000 0.256 975 W C 2.324 179.067 176.519 0.374 0.000 1.280 975 W CA -0.208 57.270 57.345 0.223 0.000 1.345 975 W CB 0.186 29.823 29.460 0.295 0.000 1.118 975 W HN 0.415 nan 8.180 nan 0.000 0.629 976 K N 0.870 121.579 120.400 0.516 0.000 2.009 976 K HA -0.205 4.114 4.320 -0.001 0.000 0.210 976 K C -0.737 176.094 176.600 0.385 0.000 1.049 976 K CA 1.867 58.431 56.287 0.461 0.000 0.929 976 K CB -1.212 31.463 32.500 0.291 0.000 0.714 976 K HN -0.035 nan 8.250 nan 0.000 0.440 977 P HA -0.143 nan 4.420 nan 0.000 0.219 977 P C 0.948 178.379 177.300 0.218 0.000 1.146 977 P CA 0.948 64.166 63.100 0.196 0.000 0.808 977 P CB -0.073 31.704 31.700 0.127 0.000 0.779 978 F N -0.627 119.398 119.950 0.126 0.000 2.113 978 F HA -0.159 4.367 4.527 -0.001 0.000 0.297 978 F C 1.845 177.771 175.800 0.210 0.000 1.103 978 F CA 1.470 59.540 58.000 0.116 0.000 1.248 978 F CB -0.743 38.343 39.000 0.143 0.000 0.999 978 F HN -0.243 nan 8.300 nan 0.000 0.475 979 F N 1.203 121.444 119.950 0.484 0.000 2.216 979 F HA -0.157 4.370 4.527 -0.001 0.000 0.300 979 F C 2.246 178.157 175.800 0.185 0.000 1.085 979 F CA 1.459 59.654 58.000 0.326 0.000 1.326 979 F CB -1.049 38.166 39.000 0.359 0.000 1.027 979 F HN 0.002 nan 8.300 nan 0.000 0.497 980 D N 0.008 120.597 120.400 0.315 0.000 2.123 980 D HA -0.147 4.492 4.640 -0.001 0.000 0.196 980 D C 2.590 178.936 176.300 0.076 0.000 0.992 980 D CA 1.181 55.289 54.000 0.180 0.000 0.833 980 D CB -0.696 40.190 40.800 0.142 0.000 0.954 980 D HN 0.081 nan 8.370 nan 0.000 0.455 981 V N -0.172 119.714 119.914 -0.047 0.000 2.287 981 V HA -0.236 3.883 4.120 -0.001 0.000 0.248 981 V C 2.092 178.021 176.094 -0.276 0.000 1.053 981 V CA 1.548 63.697 62.300 -0.251 0.000 1.027 981 V CB -0.591 30.941 31.823 -0.484 0.000 0.646 981 V HN 0.313 nan 8.190 nan 0.000 0.447 982 W N -0.745 120.508 121.300 -0.079 0.000 2.467 982 W HA -0.081 4.578 4.660 -0.001 0.000 0.275 982 W C 2.677 179.302 176.519 0.177 0.000 1.239 982 W CA 0.455 57.817 57.345 0.029 0.000 1.266 982 W CB -0.134 29.300 29.460 -0.044 0.000 1.112 982 W HN 0.167 nan 8.180 nan 0.000 0.576 983 Q N 0.031 120.036 119.800 0.342 0.000 2.084 983 Q HA -0.183 4.156 4.340 -0.001 0.000 0.202 983 Q C 2.254 178.389 176.000 0.224 0.000 0.978 983 Q CA 1.221 57.185 55.803 0.268 0.000 0.844 983 Q CB -1.079 27.780 28.738 0.202 0.000 0.898 983 Q HN 0.369 nan 8.270 nan 0.000 0.426 984 L N 0.888 122.209 121.223 0.163 0.000 2.005 984 L HA -0.117 4.222 4.340 -0.001 0.000 0.207 984 L C 2.168 179.149 176.870 0.184 0.000 1.072 984 L CA 1.740 56.663 54.840 0.139 0.000 0.744 984 L CB -0.329 41.766 42.059 0.061 0.000 0.895 984 L HN -0.009 nan 8.230 nan 0.000 0.433 985 R N 0.005 120.592 120.500 0.144 0.000 2.090 985 R HA 0.072 4.411 4.340 -0.001 0.000 0.228 985 R C 2.198 178.725 176.300 0.379 0.000 1.110 985 R CA 1.052 57.269 56.100 0.195 0.000 0.973 985 R CB -1.551 28.768 30.300 0.030 0.000 0.869 985 R HN 0.549 nan 8.270 nan 0.000 0.440 986 G N 1.273 110.390 108.800 0.529 0.000 2.471 986 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.219 986 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.219 986 G C 1.510 176.656 174.900 0.410 0.000 1.125 986 G CA 0.490 46.002 45.100 0.687 0.000 0.775 986 G HN 0.312 nan 8.290 nan 0.000 0.548 987 K N -0.557 119.983 120.400 0.234 0.000 2.097 987 K HA -0.047 4.272 4.320 -0.001 0.000 0.205 987 K C -0.102 176.363 176.600 -0.226 0.000 1.050 987 K CA 0.623 56.896 56.287 -0.024 0.000 0.938 987 K CB -0.121 32.308 32.500 -0.117 0.000 0.718 987 K HN 0.380 nan 8.250 nan 0.000 0.442 988 Y N 1.968 122.297 120.300 0.048 0.000 2.915 988 Y HA 0.312 4.861 4.550 -0.001 0.000 0.350 988 Y C -2.320 173.474 175.900 -0.177 0.000 1.061 988 Y CA -2.846 55.230 58.100 -0.040 0.000 1.179 988 Y CB 0.752 39.189 38.460 -0.038 0.000 1.180 988 Y HN 0.090 nan 8.280 nan 0.000 0.605 989 P HA 0.003 nan 4.420 nan 0.000 0.271 989 P C -0.152 176.670 177.300 -0.796 0.000 1.216 989 P CA 0.079 62.704 63.100 -0.793 0.000 0.776 989 P CB 0.986 32.346 31.700 -0.567 0.000 0.881 990 N N 2.016 119.971 118.700 -1.241 0.000 2.399 990 N HA 0.082 4.822 4.740 -0.001 0.000 0.250 990 N C 0.599 175.873 175.510 -0.393 0.000 1.272 990 N CA -0.264 52.456 53.050 -0.550 0.000 0.928 990 N CB 0.743 39.102 38.487 -0.212 0.000 1.158 990 N HN 0.400 nan 8.380 nan 0.000 0.463 991 R N -0.176 120.245 120.500 -0.133 0.000 2.585 991 R HA 0.055 4.394 4.340 -0.001 0.000 0.275 991 R C 0.945 177.284 176.300 0.065 0.000 1.018 991 R CA 1.261 57.341 56.100 -0.034 0.000 1.072 991 R CB -0.067 30.231 30.300 -0.004 0.000 0.953 991 R HN 0.864 nan 8.270 nan 0.000 0.419 992 G N 2.825 111.679 108.800 0.090 0.000 2.175 992 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.244 992 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.244 992 G C -0.182 174.830 174.900 0.186 0.000 0.982 992 G CA -0.335 44.844 45.100 0.131 0.000 0.641 992 G HN 0.451 nan 8.290 nan 0.000 0.527 993 F N 1.592 121.464 119.950 -0.130 0.000 2.490 993 F HA 0.467 4.993 4.527 -0.001 0.000 0.336 993 F C -1.034 174.613 175.800 -0.255 0.000 1.178 993 F CA -2.080 55.728 58.000 -0.319 0.000 1.301 993 F CB -0.154 38.583 39.000 -0.437 0.000 1.175 993 F HN -0.105 nan 8.300 nan 0.000 0.593 994 P HA 0.014 nan 4.420 nan 0.000 0.267 994 P C 0.667 178.059 177.300 0.154 0.000 1.200 994 P CA 0.008 63.068 63.100 -0.067 0.000 0.772 994 P CB 0.393 32.017 31.700 -0.127 0.000 0.855 995 K N 1.368 121.810 120.400 0.070 0.000 2.286 995 K HA -0.138 4.182 4.320 -0.001 0.000 0.203 995 K C 1.822 178.471 176.600 0.083 0.000 1.045 995 K CA 0.998 57.331 56.287 0.076 0.000 0.935 995 K CB -1.195 31.323 32.500 0.030 0.000 0.737 995 K HN 0.544 nan 8.250 nan 0.000 0.460 996 I N -0.398 120.200 120.570 0.046 0.000 2.567 996 I HA -0.132 4.037 4.170 -0.001 0.000 0.257 996 I C 1.253 177.315 176.117 -0.092 0.000 1.184 996 I CA 1.235 62.498 61.300 -0.061 0.000 1.451 996 I CB -0.044 37.857 38.000 -0.165 0.000 1.089 996 I HN 0.184 nan 8.210 nan 0.000 0.441 997 F N 0.643 120.620 119.950 0.046 0.000 2.699 997 F HA -0.054 4.472 4.527 -0.001 0.000 0.298 997 F C 1.649 177.481 175.800 0.053 0.000 1.154 997 F CA 0.527 58.583 58.000 0.093 0.000 1.457 997 F CB -0.389 38.739 39.000 0.213 0.000 1.106 997 F HN 0.173 nan 8.300 nan 0.000 0.585 998 N N -0.577 118.218 118.700 0.160 0.000 2.280 998 N HA 0.009 4.748 4.740 -0.001 0.000 0.192 998 N C -0.015 175.519 175.510 0.040 0.000 1.109 998 N CA 0.216 53.320 53.050 0.089 0.000 0.855 998 N CB -0.100 38.431 38.487 0.073 0.000 0.974 998 N HN 0.155 nan 8.380 nan 0.000 0.482 999 D N 1.091 121.501 120.400 0.017 0.000 2.447 999 D HA 0.251 4.890 4.640 -0.001 0.000 0.265 999 D C 1.078 177.373 176.300 -0.010 0.000 1.250 999 D CA -0.038 53.957 54.000 -0.008 0.000 1.046 999 D CB 0.543 41.322 40.800 -0.034 0.000 1.095 999 D HN 0.103 nan 8.370 nan 0.000 0.555 1005 E N 0.995 121.059 120.200 -0.226 0.000 2.077 1005 E HA 0.008 4.357 4.350 -0.001 0.000 0.193 1005 E C 2.809 179.334 176.600 -0.124 0.000 0.989 1005 E CA 1.238 57.423 56.400 -0.358 0.000 0.800 1005 E CB -0.074 29.332 29.700 -0.489 0.000 0.746 1005 E HN 0.435 nan 8.360 nan 0.000 0.452 1006 A N 1.490 124.304 122.820 -0.010 0.000 1.908 1006 A HA -0.234 4.086 4.320 -0.001 0.000 0.218 1006 A C 2.116 179.833 177.584 0.223 0.000 1.181 1006 A CA 1.840 53.972 52.037 0.159 0.000 0.627 1006 A CB -0.423 18.545 19.000 -0.054 0.000 0.818 1006 A HN 0.031 nan 8.150 nan 0.000 0.445 1007 R N 0.249 120.785 120.500 0.061 0.000 2.081 1007 R HA -0.124 4.215 4.340 -0.001 0.000 0.235 1007 R C 2.001 178.366 176.300 0.108 0.000 1.131 1007 R CA 2.230 58.377 56.100 0.078 0.000 0.960 1007 R CB -0.498 29.799 30.300 -0.007 0.000 0.856 1007 R HN 0.383 nan 8.270 nan 0.000 0.436 1008 K N 0.175 120.590 120.400 0.026 0.000 2.026 1008 K HA -0.065 4.254 4.320 -0.001 0.000 0.208 1008 K C 1.896 178.523 176.600 0.046 0.000 1.048 1008 K CA 1.897 58.188 56.287 0.007 0.000 0.929 1008 K CB -0.586 31.869 32.500 -0.075 0.000 0.713 1008 K HN 0.171 nan 8.250 nan 0.000 0.439 1009 V N -0.978 118.947 119.914 0.019 0.000 2.515 1009 V HA -0.163 3.956 4.120 -0.001 0.000 0.250 1009 V C 2.225 178.422 176.094 0.172 0.000 1.058 1009 V CA 1.634 63.875 62.300 -0.099 0.000 1.064 1009 V CB -1.072 30.348 31.823 -0.670 0.000 0.675 1009 V HN 0.327 nan 8.190 nan 0.000 0.461 1010 Y N 2.175 122.569 120.300 0.156 0.000 2.163 1010 Y HA -0.101 4.448 4.550 -0.001 0.000 0.288 1010 Y C 2.284 178.197 175.900 0.021 0.000 1.136 1010 Y CA 2.235 60.360 58.100 0.042 0.000 1.147 1010 Y CB -0.405 38.105 38.460 0.083 0.000 0.987 1010 Y HN 0.284 nan 8.280 nan 0.000 0.509 1011 D N 0.077 120.537 120.400 0.100 0.000 2.117 1011 D HA -0.173 4.466 4.640 -0.001 0.000 0.197 1011 D C 1.726 178.026 176.300 0.000 0.000 0.987 1011 D CA 1.694 55.702 54.000 0.014 0.000 0.829 1011 D CB -0.407 40.419 40.800 0.042 0.000 0.961 1011 D HN 0.395 nan 8.370 nan 0.000 0.460 1012 D N 0.182 120.599 120.400 0.027 0.000 2.144 1012 D HA -0.085 4.554 4.640 -0.001 0.000 0.199 1012 D C 1.990 178.293 176.300 0.004 0.000 0.984 1012 D CA 1.208 55.232 54.000 0.040 0.000 0.834 1012 D CB -0.331 40.532 40.800 0.106 0.000 0.955 1012 D HN 0.150 nan 8.370 nan 0.000 0.465 1013 A N 0.616 123.418 122.820 -0.029 0.000 1.902 1013 A HA -0.225 4.094 4.320 -0.001 0.000 0.217 1013 A C 1.992 179.462 177.584 -0.189 0.000 1.181 1013 A CA 1.383 53.367 52.037 -0.088 0.000 0.623 1013 A CB -0.794 18.069 19.000 -0.228 0.000 0.818 1013 A HN 0.346 nan 8.150 nan 0.000 0.443 1014 H N -0.190 118.718 119.070 -0.269 0.000 2.357 1014 H HA -0.083 4.473 4.556 -0.001 0.000 0.301 1014 H C 1.877 177.152 175.328 -0.088 0.000 1.082 1014 H CA 1.574 57.498 56.048 -0.207 0.000 1.342 1014 H CB -0.069 29.512 29.762 -0.302 0.000 1.389 1014 H HN 0.455 nan 8.280 nan 0.000 0.511 1015 N N 0.850 119.575 118.700 0.041 0.000 2.104 1015 N HA -0.155 4.584 4.740 -0.001 0.000 0.190 1015 N C 2.143 177.673 175.510 0.033 0.000 1.024 1015 N CA 0.926 53.998 53.050 0.037 0.000 0.853 1015 N CB -0.452 38.057 38.487 0.036 0.000 1.008 1015 N HN 0.372 nan 8.380 nan 0.000 0.424 1016 M N 0.511 120.125 119.600 0.023 0.000 2.086 1016 M HA -0.092 4.387 4.480 -0.001 0.000 0.261 1016 M C 1.850 178.171 176.300 0.034 0.000 1.067 1016 M CA 1.249 56.574 55.300 0.042 0.000 1.116 1016 M CB -0.066 32.556 32.600 0.037 0.000 1.348 1016 M HN 0.043 nan 8.290 nan 0.000 0.407 1017 L N 0.408 121.625 121.223 -0.010 0.000 2.012 1017 L HA -0.301 4.038 4.340 -0.001 0.000 0.210 1017 L C 2.005 178.880 176.870 0.008 0.000 1.073 1017 L CA 2.129 56.956 54.840 -0.021 0.000 0.748 1017 L CB -1.088 40.913 42.059 -0.096 0.000 0.891 1017 L HN 0.479 nan 8.230 nan 0.000 0.431 1018 N N -1.181 117.530 118.700 0.018 0.000 2.061 1018 N HA -0.193 4.547 4.740 -0.001 0.000 0.193 1018 N C 1.636 177.166 175.510 0.034 0.000 1.030 1018 N CA 1.895 54.965 53.050 0.032 0.000 0.856 1018 N CB -0.188 38.324 38.487 0.041 0.000 1.023 1018 N HN 0.300 nan 8.380 nan 0.000 0.424 1019 T N 1.330 115.909 114.554 0.042 0.000 2.737 1019 T HA -0.017 4.332 4.350 -0.001 0.000 0.265 1019 T C 1.984 176.714 174.700 0.051 0.000 1.038 1019 T CA 0.756 62.886 62.100 0.049 0.000 1.144 1019 T CB -0.216 68.691 68.868 0.064 0.000 0.866 1019 T HN 0.141 nan 8.240 nan 0.000 0.434 1020 L N 0.048 121.306 121.223 0.058 0.000 2.109 1020 L HA 0.055 4.394 4.340 -0.001 0.000 0.207 1020 L C 2.417 179.313 176.870 0.043 0.000 1.086 1020 L CA 0.960 55.835 54.840 0.059 0.000 0.760 1020 L CB -0.540 41.565 42.059 0.076 0.000 0.910 1020 L HN 0.251 nan 8.230 nan 0.000 0.437 1021 I N -0.136 120.454 120.570 0.033 0.000 2.202 1021 I HA -0.280 3.889 4.170 -0.001 0.000 0.242 1021 I C 2.836 178.966 176.117 0.021 0.000 1.091 1021 I CA 1.622 62.936 61.300 0.024 0.000 1.368 1021 I CB -0.261 37.748 38.000 0.016 0.000 1.058 1021 I HN 0.320 nan 8.210 nan 0.000 0.410 1022 S N 0.274 115.988 115.700 0.023 0.000 2.382 1022 S HA -0.243 4.226 4.470 -0.001 0.000 0.228 1022 S C 1.840 176.452 174.600 0.019 0.000 1.027 1022 S CA 1.021 59.233 58.200 0.019 0.000 0.991 1022 S CB -0.518 62.694 63.200 0.021 0.000 0.823 1022 S HN 0.511 nan 8.310 nan 0.000 0.469 1023 Q N 0.827 120.642 119.800 0.025 0.000 2.444 1023 Q HA 0.201 4.540 4.340 -0.001 0.000 0.206 1023 Q C -0.373 175.640 176.000 0.022 0.000 0.948 1023 Q CA -0.007 55.809 55.803 0.023 0.000 0.946 1023 Q CB -0.112 28.642 28.738 0.027 0.000 1.027 1023 Q HN 0.546 nan 8.270 nan 0.000 0.513 1024 K N 0.051 120.465 120.400 0.024 0.000 3.096 1024 K HA -0.239 4.080 4.320 -0.001 0.000 0.266 1024 K C 0.098 176.717 176.600 0.032 0.000 1.043 1024 K CA 0.591 56.893 56.287 0.026 0.000 0.758 1024 K CB -1.014 31.497 32.500 0.018 0.000 1.260 1024 K HN 0.226 nan 8.250 nan 0.000 0.481 1025 K N 0.159 120.582 120.400 0.037 0.000 2.393 1025 K HA 0.165 4.484 4.320 -0.001 0.000 0.193 1025 K C 0.619 177.254 176.600 0.059 0.000 1.026 1025 K CA 0.427 56.738 56.287 0.039 0.000 1.064 1025 K CB 0.302 32.821 32.500 0.030 0.000 0.833 1025 K HN 0.202 nan 8.250 nan 0.000 0.521 1026 L N 1.546 122.810 121.223 0.068 0.000 2.354 1026 L HA 0.492 4.831 4.340 -0.001 0.000 0.269 1026 L C -0.450 176.478 176.870 0.097 0.000 1.005 1026 L CA -1.070 53.825 54.840 0.092 0.000 0.819 1026 L CB 1.892 43.999 42.059 0.081 0.000 1.311 1026 L HN 0.030 nan 8.230 nan 0.000 0.423 1027 R N 1.756 122.345 120.500 0.148 0.000 2.710 1027 R HA 0.913 5.252 4.340 -0.001 0.000 0.270 1027 R C -1.777 174.672 176.300 0.248 0.000 1.021 1027 R CA -0.882 55.305 56.100 0.145 0.000 0.889 1027 R CB 2.042 32.398 30.300 0.093 0.000 1.243 1027 R HN 0.560 nan 8.270 nan 0.000 0.464 1028 A N 2.044 125.000 122.820 0.226 0.000 2.365 1028 A HA 0.788 5.108 4.320 -0.001 0.000 0.318 1028 A C -0.821 177.009 177.584 0.410 0.000 1.091 1028 A CA -0.972 51.277 52.037 0.354 0.000 0.763 1028 A CB 1.510 20.625 19.000 0.191 0.000 1.248 1028 A HN 0.753 nan 8.150 nan 0.000 0.442 1029 R N 0.232 121.064 120.500 0.553 0.000 2.795 1029 R HA 0.760 5.099 4.340 -0.001 0.000 0.275 1029 R C -0.202 176.362 176.300 0.439 0.000 0.981 1029 R CA -0.544 55.829 56.100 0.456 0.000 0.917 1029 R CB 2.711 33.171 30.300 0.267 0.000 1.202 1029 R HN 1.063 nan 8.270 nan 0.000 0.469 1030 G N -0.008 109.021 108.800 0.382 0.000 2.600 1030 G HA2 0.547 4.506 3.960 -0.001 0.000 0.293 1030 G HA3 0.547 4.506 3.960 -0.001 0.000 0.293 1030 G C -1.971 173.084 174.900 0.259 0.000 1.408 1030 G CA -0.419 44.785 45.100 0.174 0.000 0.782 1030 G HN 0.398 nan 8.290 nan 0.000 0.482 1031 V N -0.703 119.295 119.914 0.140 0.000 2.932 1031 V HA 0.756 4.875 4.120 -0.001 0.000 0.307 1031 V C -1.311 174.851 176.094 0.114 0.000 1.147 1031 V CA -0.507 61.836 62.300 0.071 0.000 0.951 1031 V CB 1.981 33.770 31.823 -0.058 0.000 1.031 1031 V HN 0.846 nan 8.190 nan 0.000 0.426 1032 V N 4.793 124.771 119.914 0.106 0.000 2.735 1032 V HA 0.991 5.111 4.120 -0.001 0.000 0.310 1032 V C 0.442 176.448 176.094 -0.146 0.000 1.061 1032 V CA 0.232 62.572 62.300 0.066 0.000 0.913 1032 V CB 1.868 33.813 31.823 0.204 0.000 1.005 1032 V HN 1.196 nan 8.190 nan 0.000 0.428 1033 G N 2.229 110.777 108.800 -0.421 0.000 2.659 1033 G HA2 0.791 4.750 3.960 -0.001 0.000 0.296 1033 G HA3 0.791 4.750 3.960 -0.001 0.000 0.296 1033 G C -1.898 172.201 174.900 -1.335 0.000 1.369 1033 G CA -0.407 44.232 45.100 -0.768 0.000 0.937 1033 G HN 0.339 nan 8.290 nan 0.000 0.485 1034 F N 0.130 119.355 119.950 -1.208 0.000 2.578 1034 F HA 0.738 5.264 4.527 -0.001 0.000 0.311 1034 F C -0.625 174.537 175.800 -1.063 0.000 1.094 1034 F CA -1.120 56.316 58.000 -0.940 0.000 0.923 1034 F CB 2.252 40.669 39.000 -0.972 0.000 1.230 1034 F HN 0.353 nan 8.300 nan 0.000 0.450 1035 W N 1.253 122.619 121.300 0.109 0.000 3.217 1035 W HA 0.333 4.992 4.660 -0.001 0.000 0.323 1035 W C -2.756 173.888 176.519 0.208 0.000 1.216 1035 W CA -2.025 55.402 57.345 0.137 0.000 1.194 1035 W CB 1.877 31.396 29.460 0.099 0.000 1.397 1035 W HN 0.151 nan 8.180 nan 0.000 0.537 1036 P HA 0.127 nan 4.420 nan 0.000 0.263 1036 P C -0.546 176.889 177.300 0.226 0.000 1.175 1036 P CA 1.031 64.242 63.100 0.186 0.000 0.761 1036 P CB 0.557 32.371 31.700 0.190 0.000 0.794 1037 A N 2.914 125.771 122.820 0.062 0.000 2.520 1037 A HA 0.668 4.987 4.320 -0.001 0.000 0.298 1037 A C -1.376 176.254 177.584 0.077 0.000 1.051 1037 A CA -0.417 51.712 52.037 0.155 0.000 0.690 1037 A CB 1.555 20.640 19.000 0.142 0.000 1.281 1037 A HN 0.403 nan 8.150 nan 0.000 0.402 1038 Q N 0.383 120.286 119.800 0.171 0.000 2.418 1038 Q HA 0.566 4.905 4.340 -0.001 0.000 0.282 1038 Q C -0.723 175.302 176.000 0.041 0.000 1.044 1038 Q CA -0.556 55.272 55.803 0.041 0.000 0.813 1038 Q CB 2.072 30.807 28.738 -0.005 0.000 1.428 1038 Q HN 1.030 nan 8.270 nan 0.000 0.402 1039 S N 0.623 116.292 115.700 -0.052 0.000 2.578 1039 S HA 0.799 5.268 4.470 -0.001 0.000 0.283 1039 S C -0.058 174.505 174.600 -0.061 0.000 1.195 1039 S CA -0.611 57.559 58.200 -0.050 0.000 1.050 1039 S CB 0.673 63.866 63.200 -0.011 0.000 1.012 1039 S HN 0.518 nan 8.310 nan 0.000 0.511 1040 I N 2.675 123.207 120.570 -0.063 0.000 2.439 1040 I HA 0.284 4.453 4.170 -0.001 0.000 0.283 1040 I C 0.380 176.496 176.117 -0.001 0.000 1.023 1040 I CA -0.420 60.873 61.300 -0.011 0.000 1.100 1040 I CB 1.606 39.654 38.000 0.081 0.000 1.238 1040 I HN 0.917 nan 8.210 nan 0.000 0.445 1041 Q N 4.038 123.853 119.800 0.025 0.000 2.224 1041 Q HA -0.328 4.012 4.340 -0.001 0.000 0.415 1041 Q C 0.384 176.414 176.000 0.049 0.000 0.619 1041 Q CA 2.654 58.483 55.803 0.045 0.000 0.957 1041 Q CB -0.691 28.082 28.738 0.057 0.000 2.552 1041 Q HN 0.722 nan 8.270 nan 0.000 0.903 1042 D N 0.929 121.369 120.400 0.067 0.000 2.339 1042 D HA 0.175 4.815 4.640 -0.001 0.000 0.217 1042 D C -0.510 175.843 176.300 0.089 0.000 1.050 1042 D CA 0.502 54.560 54.000 0.097 0.000 0.856 1042 D CB 0.060 40.946 40.800 0.144 0.000 0.922 1042 D HN 0.250 nan 8.370 nan 0.000 0.518 1043 D N 0.028 120.423 120.400 -0.008 0.000 2.350 1043 D HA 0.403 5.042 4.640 -0.001 0.000 0.238 1043 D C 0.139 176.296 176.300 -0.239 0.000 0.989 1043 D CA -0.505 53.406 54.000 -0.149 0.000 0.921 1043 D CB 2.362 42.966 40.800 -0.326 0.000 1.297 1043 D HN -0.101 nan 8.370 nan 0.000 0.490 1044 I N 1.736 122.158 120.570 -0.247 0.000 2.382 1044 I HA 0.136 4.306 4.170 -0.001 0.000 0.286 1044 I C -0.264 175.678 176.117 -0.292 0.000 1.002 1044 I CA -0.665 60.547 61.300 -0.148 0.000 1.135 1044 I CB 1.182 39.239 38.000 0.094 0.000 1.288 1044 I HN 0.093 nan 8.210 nan 0.000 0.448 1045 H N 6.106 125.113 119.070 -0.105 0.000 2.467 1045 H HA 0.525 5.080 4.556 -0.001 0.000 0.331 1045 H C -0.680 174.453 175.328 -0.324 0.000 1.120 1045 H CA -0.624 55.245 56.048 -0.298 0.000 1.270 1045 H CB 2.057 31.606 29.762 -0.355 0.000 1.466 1045 H HN 0.251 nan 8.280 nan 0.000 0.504 1046 L N 3.043 124.064 121.223 -0.337 0.000 2.331 1046 L HA 0.353 4.692 4.340 -0.001 0.000 0.275 1046 L C -0.649 175.903 176.870 -0.530 0.000 1.022 1046 L CA -0.504 54.190 54.840 -0.245 0.000 0.812 1046 L CB 0.871 42.842 42.059 -0.147 0.000 1.257 1046 L HN 0.502 nan 8.230 nan 0.000 0.435 1047 Y N 0.031 120.360 120.300 0.048 0.000 2.576 1047 Y HA 0.743 5.292 4.550 -0.002 0.000 0.346 1047 Y C 0.350 176.320 175.900 0.116 0.000 1.018 1047 Y CA -1.301 56.822 58.100 0.038 0.000 1.050 1047 Y CB 1.522 39.989 38.460 0.011 0.000 1.280 1047 Y HN 0.656 nan 8.280 nan 0.000 0.474 1048 A N 0.743 123.711 122.820 0.246 0.000 2.466 1048 A HA 0.073 4.392 4.320 -0.001 0.000 0.238 1048 A C 1.470 179.180 177.584 0.211 0.000 1.074 1048 A CA 0.194 52.360 52.037 0.215 0.000 0.774 1048 A CB 0.166 19.250 19.000 0.140 0.000 1.015 1048 A HN 1.034 nan 8.150 nan 0.000 0.498 1049 E N 1.281 121.597 120.200 0.192 0.000 2.065 1049 E HA -0.238 4.111 4.350 -0.001 0.000 0.201 1049 E C 1.680 178.346 176.600 0.110 0.000 1.016 1049 E CA 1.817 58.306 56.400 0.148 0.000 0.818 1049 E CB -0.165 29.599 29.700 0.107 0.000 0.749 1049 E HN 0.778 nan 8.360 nan 0.000 0.453 1050 A N 0.258 123.130 122.820 0.088 0.000 2.251 1050 A HA 0.421 4.740 4.320 -0.001 0.000 0.209 1050 A C 0.872 178.484 177.584 0.047 0.000 1.187 1050 A CA 0.484 52.557 52.037 0.059 0.000 0.823 1050 A CB -0.109 18.920 19.000 0.047 0.000 0.846 1050 A HN 0.338 nan 8.150 nan 0.000 0.486 1051 A N -0.296 122.562 122.820 0.062 0.000 2.386 1051 A HA 0.491 4.811 4.320 -0.001 0.000 0.248 1051 A C 0.027 177.597 177.584 -0.023 0.000 1.082 1051 A CA -0.098 51.962 52.037 0.038 0.000 0.789 1051 A CB 0.252 19.306 19.000 0.091 0.000 1.025 1051 A HN 0.388 nan 8.150 nan 0.000 0.490 1052 V N 4.773 124.654 119.914 -0.055 0.000 2.334 1052 V HA 0.163 4.283 4.120 -0.001 0.000 0.267 1052 V C -1.504 174.460 176.094 -0.216 0.000 1.040 1052 V CA -0.761 61.472 62.300 -0.112 0.000 0.866 1052 V CB 1.033 32.813 31.823 -0.072 0.000 1.019 1052 V HN 0.826 nan 8.190 nan 0.000 0.468 1053 P HA -0.198 nan 4.420 nan 0.000 0.216 1053 P C 1.515 178.497 177.300 -0.530 0.000 1.153 1053 P CA 1.302 63.850 63.100 -0.920 0.000 0.858 1053 P CB 0.233 31.225 31.700 -1.180 0.000 0.789 1054 Q N -1.333 118.297 119.800 -0.283 0.000 2.364 1054 Q HA -0.033 4.306 4.340 -0.001 0.000 0.209 1054 Q C 1.784 177.754 176.000 -0.050 0.000 0.977 1054 Q CA 1.272 57.011 55.803 -0.106 0.000 0.885 1054 Q CB -0.354 28.372 28.738 -0.020 0.000 0.941 1054 Q HN 0.217 nan 8.270 nan 0.000 0.464 1055 A N -0.359 122.419 122.820 -0.070 0.000 2.348 1055 A HA 0.511 4.830 4.320 -0.001 0.000 0.224 1055 A C 0.545 178.125 177.584 -0.007 0.000 1.227 1055 A CA 0.247 52.267 52.037 -0.028 0.000 0.885 1055 A CB 0.498 19.481 19.000 -0.029 0.000 0.933 1055 A HN 0.218 nan 8.150 nan 0.000 0.506 1056 A N -0.274 122.549 122.820 0.006 0.000 2.384 1056 A HA 0.655 4.974 4.320 -0.001 0.000 0.312 1056 A C -0.668 176.993 177.584 0.127 0.000 1.113 1056 A CA -0.540 51.538 52.037 0.069 0.000 0.779 1056 A CB 0.838 19.899 19.000 0.101 0.000 1.307 1056 A HN 0.145 nan 8.150 nan 0.000 0.436 1057 E N 1.406 121.648 120.200 0.070 0.000 2.289 1057 E HA 0.492 4.841 4.350 -0.001 0.000 0.278 1057 E C -2.424 174.146 176.600 -0.050 0.000 1.032 1057 E CA -1.525 54.874 56.400 -0.002 0.000 0.854 1057 E CB 0.424 30.103 29.700 -0.036 0.000 1.046 1057 E HN 0.365 nan 8.360 nan 0.000 0.409 1058 P HA 0.004 nan 4.420 nan 0.000 0.267 1058 P C 0.388 177.493 177.300 -0.326 0.000 1.200 1058 P CA 0.257 63.027 63.100 -0.549 0.000 0.772 1058 P CB 0.396 31.686 31.700 -0.684 0.000 0.855 1059 I N -0.640 119.735 120.570 -0.325 0.000 3.427 1059 I HA 0.460 4.629 4.170 -0.001 0.000 0.288 1059 I C 0.548 176.482 176.117 -0.306 0.000 1.249 1059 I CA 0.272 61.427 61.300 -0.242 0.000 1.421 1059 I CB 0.074 37.963 38.000 -0.185 0.000 1.086 1059 I HN 0.183 nan 8.210 nan 0.000 0.448 1060 A N 0.220 122.814 122.820 -0.377 0.000 2.608 1060 A HA 0.749 5.068 4.320 -0.001 0.000 0.292 1060 A C -0.749 176.579 177.584 -0.428 0.000 1.066 1060 A CA -0.437 51.340 52.037 -0.433 0.000 0.676 1060 A CB 1.195 19.851 19.000 -0.573 0.000 1.277 1060 A HN 0.094 nan 8.150 nan 0.000 0.413 1061 T N 1.002 115.250 114.554 -0.509 0.000 2.881 1061 T HA 0.603 4.952 4.350 -0.001 0.000 0.290 1061 T C -1.283 172.929 174.700 -0.814 0.000 1.000 1061 T CA 0.028 61.783 62.100 -0.575 0.000 0.978 1061 T CB 0.513 69.027 68.868 -0.591 0.000 0.997 1061 T HN 0.365 nan 8.240 nan 0.000 0.443 1062 F N 2.674 122.388 119.950 -0.392 0.000 2.361 1062 F HA 0.456 4.983 4.527 -0.001 0.000 0.364 1062 F C -0.146 175.499 175.800 -0.260 0.000 1.117 1062 F CA -0.966 56.907 58.000 -0.211 0.000 1.071 1062 F CB 0.721 39.685 39.000 -0.061 0.000 1.188 1062 F HN 0.531 nan 8.300 nan 0.000 0.464 1063 Y N 1.646 122.045 120.300 0.165 0.000 2.319 1063 Y HA 0.483 5.033 4.550 -0.001 0.000 0.328 1063 Y C 0.887 176.959 175.900 0.287 0.000 1.133 1063 Y CA -0.532 57.660 58.100 0.153 0.000 1.265 1063 Y CB 0.864 39.344 38.460 0.033 0.000 1.218 1063 Y HN 0.620 nan 8.280 nan 0.000 0.508 1064 G N 2.707 111.740 108.800 0.389 0.000 2.434 1064 G HA2 0.678 4.637 3.960 -0.001 0.000 0.330 1064 G HA3 0.678 4.637 3.960 -0.001 0.000 0.330 1064 G C -1.409 173.685 174.900 0.323 0.000 1.155 1064 G CA -0.814 44.480 45.100 0.322 0.000 0.917 1064 G HN 0.547 nan 8.290 nan 0.000 0.493 1065 L N 0.076 121.427 121.223 0.213 0.000 2.354 1065 L HA 0.627 4.967 4.340 -0.001 0.000 0.269 1065 L C 0.202 177.185 176.870 0.188 0.000 1.005 1065 L CA -0.902 54.011 54.840 0.122 0.000 0.819 1065 L CB 2.513 44.565 42.059 -0.012 0.000 1.311 1065 L HN 0.486 nan 8.230 nan 0.000 0.423 1066 R N 1.577 122.172 120.500 0.157 0.000 2.562 1066 R HA 0.383 4.723 4.340 -0.001 0.000 0.298 1066 R C -0.834 175.589 176.300 0.206 0.000 0.961 1066 R CA -0.622 55.581 56.100 0.173 0.000 0.881 1066 R CB 1.479 31.852 30.300 0.122 0.000 1.159 1066 R HN 0.582 nan 8.270 nan 0.000 0.450 1067 Q N 2.024 121.977 119.800 0.255 0.000 2.349 1067 Q HA -0.091 4.249 4.340 -0.001 0.000 0.287 1067 Q C 0.216 176.456 176.000 0.399 0.000 1.044 1067 Q CA 0.860 56.854 55.803 0.318 0.000 0.918 1067 Q CB 1.028 29.937 28.738 0.285 0.000 1.242 1067 Q HN 0.631 nan 8.270 nan 0.000 0.405 1068 Q N 0.134 120.166 119.800 0.386 0.000 2.237 1068 Q HA 0.188 4.528 4.340 -0.001 0.000 0.254 1068 Q C -0.449 175.802 176.000 0.417 0.000 0.771 1068 Q CA -0.029 55.978 55.803 0.339 0.000 0.958 1068 Q CB 0.974 29.872 28.738 0.267 0.000 1.202 1068 Q HN 0.726 nan 8.270 nan 0.000 0.492 1069 A N 1.886 124.930 122.820 0.375 0.000 2.488 1069 A HA 0.115 4.434 4.320 -0.001 0.000 0.249 1069 A C -0.169 177.484 177.584 0.116 0.000 1.083 1069 A CA 0.267 52.359 52.037 0.092 0.000 0.768 1069 A CB 0.173 19.186 19.000 0.021 0.000 1.017 1069 A HN 0.167 nan 8.150 nan 0.000 0.496 1070 E N 0.572 120.770 120.200 -0.003 0.000 2.318 1070 E HA 0.549 4.899 4.350 -0.001 0.000 0.265 1070 E C 0.554 177.147 176.600 -0.011 0.000 1.069 1070 E CA 0.506 56.941 56.400 0.059 0.000 0.893 1070 E CB 1.014 30.741 29.700 0.045 0.000 1.076 1070 E HN 0.928 nan 8.360 nan 0.000 0.414 1076 T N -0.916 113.647 114.554 0.015 0.000 2.766 1076 T HA 0.554 4.903 4.350 -0.001 0.000 0.295 1076 T C 0.279 174.970 174.700 -0.015 0.000 1.024 1076 T CA -0.220 61.883 62.100 0.005 0.000 1.018 1076 T CB 0.513 69.392 68.868 0.018 0.000 1.002 1076 T HN 0.898 nan 8.240 nan 0.000 0.532 1077 E N 1.974 122.143 120.200 -0.052 0.000 2.415 1077 E HA 0.219 4.569 4.350 -0.001 0.000 0.262 1077 E C -1.905 174.600 176.600 -0.159 0.000 1.038 1077 E CA -1.480 54.875 56.400 -0.075 0.000 0.921 1077 E CB -0.213 29.441 29.700 -0.078 0.000 0.950 1077 E HN 0.721 nan 8.360 nan 0.000 0.438 1078 P HA 0.158 nan 4.420 nan 0.000 0.275 1078 P C -0.973 176.126 177.300 -0.334 0.000 1.266 1078 P CA -0.130 62.860 63.100 -0.185 0.000 0.793 1078 P CB 0.265 31.817 31.700 -0.247 0.000 1.074 1079 Y N -0.765 119.439 120.300 -0.161 0.000 2.417 1079 Y HA 0.303 4.853 4.550 -0.001 0.000 0.336 1079 Y C 0.457 176.233 175.900 -0.207 0.000 0.961 1079 Y CA -0.268 57.772 58.100 -0.101 0.000 1.215 1079 Y CB 0.056 38.499 38.460 -0.029 0.000 1.120 1079 Y HN 0.209 nan 8.280 nan 0.000 0.499 1080 Y N 1.684 121.841 120.300 -0.238 0.000 2.336 1080 Y HA 0.358 4.907 4.550 -0.001 0.000 0.331 1080 Y C 0.487 176.074 175.900 -0.521 0.000 1.211 1080 Y CA 0.045 57.778 58.100 -0.612 0.000 1.346 1080 Y CB 0.963 38.555 38.460 -1.448 0.000 1.271 1080 Y HN 0.611 nan 8.280 nan 0.000 0.538 1081 C N 4.167 123.307 119.300 -0.267 0.000 2.880 1081 C HA 0.340 4.799 4.460 -0.001 0.000 0.320 1081 C C 1.073 176.006 174.990 -0.094 0.000 1.176 1081 C CA -0.910 58.122 59.018 0.023 0.000 1.390 1081 C CB 0.106 27.881 27.740 0.058 0.000 1.846 1081 C HN 1.019 nan 8.230 nan 0.000 0.478 1082 L N 3.269 124.572 121.223 0.133 0.000 2.127 1082 L HA -0.115 4.225 4.340 -0.001 0.000 0.211 1082 L C 2.631 179.458 176.870 -0.072 0.000 1.089 1082 L CA 2.119 56.901 54.840 -0.097 0.000 0.757 1082 L CB -0.262 41.841 42.059 0.073 0.000 0.899 1082 L HN 0.962 nan 8.230 nan 0.000 0.434 1083 S N -1.356 114.387 115.700 0.070 0.000 2.442 1083 S HA -0.186 4.284 4.470 -0.001 0.000 0.236 1083 S C 1.428 176.108 174.600 0.134 0.000 1.007 1083 S CA 1.134 59.421 58.200 0.145 0.000 0.965 1083 S CB -0.403 62.860 63.200 0.105 0.000 0.773 1083 S HN 0.393 nan 8.310 nan 0.000 0.504 1084 D N 1.173 121.556 120.400 -0.028 0.000 2.309 1084 D HA -0.014 4.625 4.640 -0.001 0.000 0.212 1084 D C 0.891 177.427 176.300 0.392 0.000 0.968 1084 D CA 0.808 54.871 54.000 0.104 0.000 0.882 1084 D CB -0.404 40.395 40.800 -0.003 0.000 0.918 1084 D HN 0.655 nan 8.370 nan 0.000 0.503 1085 F N -0.139 120.082 119.950 0.452 0.000 2.727 1085 F HA 0.171 4.697 4.527 -0.001 0.000 0.302 1085 F C 0.808 176.994 175.800 0.644 0.000 1.097 1085 F CA -0.342 57.952 58.000 0.489 0.000 1.330 1085 F CB 0.740 39.895 39.000 0.259 0.000 1.084 1085 F HN -0.224 nan 8.300 nan 0.000 0.578 1086 I N 0.729 121.715 120.570 0.694 0.000 2.509 1086 I HA 0.362 4.531 4.170 -0.001 0.000 0.293 1086 I C 0.289 176.371 176.117 -0.058 0.000 1.020 1086 I CA -1.170 60.370 61.300 0.400 0.000 1.088 1086 I CB 1.371 39.556 38.000 0.308 0.000 1.267 1086 I HN -0.185 nan 8.210 nan 0.000 0.430 1087 A N 8.366 130.854 122.820 -0.554 0.000 2.520 1087 A HA 0.377 4.696 4.320 -0.001 0.000 0.245 1087 A C -2.303 174.836 177.584 -0.742 0.000 1.072 1087 A CA -0.633 50.578 52.037 -1.377 0.000 0.761 1087 A CB -0.738 17.704 19.000 -0.931 0.000 1.004 1087 A HN 0.415 nan 8.150 nan 0.000 0.499 1088 P HA -0.011 nan 4.420 nan 0.000 0.267 1088 P C 1.118 178.220 177.300 -0.330 0.000 1.200 1088 P CA -0.354 62.512 63.100 -0.390 0.000 0.772 1088 P CB 0.440 31.959 31.700 -0.301 0.000 0.855 1089 L N 3.643 124.686 121.223 -0.301 0.000 2.051 1089 L HA -0.222 4.117 4.340 -0.001 0.000 0.214 1089 L C 1.486 178.138 176.870 -0.365 0.000 1.076 1089 L CA 2.202 56.816 54.840 -0.375 0.000 0.758 1089 L CB -1.059 40.711 42.059 -0.482 0.000 0.890 1089 L HN 0.451 nan 8.230 nan 0.000 0.433 1090 H N -1.482 117.531 119.070 -0.095 0.000 2.517 1090 H HA 0.268 4.823 4.556 -0.001 0.000 0.282 1090 H C 2.192 177.474 175.328 -0.076 0.000 1.023 1090 H CA 0.692 56.696 56.048 -0.074 0.000 1.169 1090 H CB -0.192 29.546 29.762 -0.041 0.000 1.454 1090 H HN 0.525 nan 8.280 nan 0.000 0.556 1091 S N -0.486 115.182 115.700 -0.053 0.000 2.453 1091 S HA 0.028 4.497 4.470 -0.001 0.000 0.231 1091 S C 1.952 176.545 174.600 -0.011 0.000 1.005 1091 S CA 0.675 58.842 58.200 -0.055 0.000 0.949 1091 S CB -0.096 62.976 63.200 -0.213 0.000 0.774 1091 S HN 0.514 nan 8.310 nan 0.000 0.510 1092 G N 0.763 109.540 108.800 -0.037 0.000 2.159 1092 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.256 1092 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.256 1092 G C -0.060 174.800 174.900 -0.066 0.000 0.977 1092 G CA 0.332 45.416 45.100 -0.027 0.000 0.652 1092 G HN 0.606 nan 8.290 nan 0.000 0.531 1093 I N 1.091 121.591 120.570 -0.117 0.000 2.406 1093 I HA 0.448 4.617 4.170 -0.001 0.000 0.290 1093 I C 0.276 176.250 176.117 -0.238 0.000 0.999 1093 I CA -1.167 60.028 61.300 -0.176 0.000 1.124 1093 I CB 1.373 39.355 38.000 -0.030 0.000 1.289 1093 I HN -0.122 nan 8.210 nan 0.000 0.441 1094 R N 4.048 124.383 120.500 -0.275 0.000 2.340 1094 R HA 0.362 4.701 4.340 -0.001 0.000 0.300 1094 R C -0.708 175.388 176.300 -0.340 0.000 1.069 1094 R CA -0.409 55.505 56.100 -0.311 0.000 0.984 1094 R CB 0.812 30.958 30.300 -0.256 0.000 1.003 1094 R HN 0.537 nan 8.270 nan 0.000 0.459 1095 D N 0.856 120.969 120.400 -0.478 0.000 2.553 1095 D HA 0.511 5.150 4.640 -0.001 0.000 0.249 1095 D C -1.028 174.817 176.300 -0.758 0.000 1.062 1095 D CA -0.492 53.299 54.000 -0.349 0.000 1.085 1095 D CB 1.291 42.042 40.800 -0.082 0.000 1.350 1095 D HN 0.247 nan 8.370 nan 0.000 0.575 1096 Y N -0.592 119.828 120.300 0.200 0.000 2.571 1096 Y HA 0.533 5.082 4.550 -0.001 0.000 0.341 1096 Y C -0.836 175.187 175.900 0.204 0.000 1.076 1096 Y CA -0.999 57.177 58.100 0.126 0.000 1.029 1096 Y CB 1.797 40.206 38.460 -0.085 0.000 1.308 1096 Y HN 0.160 nan 8.280 nan 0.000 0.461 1097 L N 1.153 122.534 121.223 0.262 0.000 2.401 1097 L HA 0.984 5.324 4.340 -0.001 0.000 0.266 1097 L C -0.252 176.756 176.870 0.230 0.000 0.991 1097 L CA -0.113 54.850 54.840 0.205 0.000 0.818 1097 L CB 2.194 44.292 42.059 0.066 0.000 1.321 1097 L HN 0.786 nan 8.230 nan 0.000 0.413 1098 G N 2.845 111.833 108.800 0.313 0.000 2.644 1098 G HA2 0.712 4.671 3.960 -0.001 0.000 0.307 1098 G HA3 0.712 4.671 3.960 -0.001 0.000 0.307 1098 G C -1.636 173.371 174.900 0.178 0.000 1.250 1098 G CA -0.480 44.796 45.100 0.293 0.000 0.996 1098 G HN 0.863 nan 8.290 nan 0.000 0.489 1099 L N -2.197 119.067 121.223 0.068 0.000 2.479 1099 L HA 0.962 5.301 4.340 -0.001 0.000 0.255 1099 L C -1.070 175.741 176.870 -0.099 0.000 1.026 1099 L CA -1.385 53.375 54.840 -0.133 0.000 0.842 1099 L CB 1.816 43.825 42.059 -0.082 0.000 1.444 1099 L HN 0.812 nan 8.230 nan 0.000 0.409 1100 F N -0.949 118.750 119.950 -0.419 0.000 2.645 1100 F HA 1.026 5.552 4.527 -0.001 0.000 0.310 1100 F C -1.074 174.547 175.800 -0.299 0.000 1.102 1100 F CA -0.655 57.168 58.000 -0.295 0.000 0.952 1100 F CB 1.568 40.417 39.000 -0.252 0.000 1.326 1100 F HN 0.912 nan 8.300 nan 0.000 0.456 1101 A N 2.068 124.696 122.820 -0.319 0.000 2.427 1101 A HA 0.816 5.135 4.320 -0.001 0.000 0.298 1101 A C -1.439 176.038 177.584 -0.179 0.000 1.036 1101 A CA -0.329 51.472 52.037 -0.393 0.000 0.701 1101 A CB 1.465 20.139 19.000 -0.544 0.000 1.250 1101 A HN 1.998 nan 8.150 nan 0.000 0.412 1102 V N -1.309 118.504 119.914 -0.168 0.000 3.007 1102 V HA 1.041 5.160 4.120 -0.001 0.000 0.311 1102 V C -0.223 175.818 176.094 -0.088 0.000 1.120 1102 V CA -0.290 61.821 62.300 -0.315 0.000 0.980 1102 V CB 1.192 32.442 31.823 -0.954 0.000 1.033 1102 V HN 2.366 nan 8.190 nan 0.000 0.429 1103 A N 1.838 124.692 122.820 0.056 0.000 2.594 1103 A HA 0.789 5.108 4.320 -0.001 0.000 0.295 1103 A C -0.918 176.776 177.584 0.183 0.000 1.071 1103 A CA -0.185 51.881 52.037 0.047 0.000 0.685 1103 A CB 1.693 20.599 19.000 -0.157 0.000 1.285 1103 A HN 1.890 nan 8.150 nan 0.000 0.405 1104 C N 1.878 121.217 119.300 0.065 0.000 2.273 1104 C HA 0.807 5.267 4.460 -0.001 0.000 0.328 1104 C C -0.793 174.198 174.990 0.002 0.000 1.275 1104 C CA -0.667 58.428 59.018 0.129 0.000 1.704 1104 C CB -1.633 26.164 27.740 0.095 0.000 2.326 1104 C HN 0.517 nan 8.230 nan 0.000 0.517 1105 F N 3.939 123.942 119.950 0.087 0.000 2.399 1105 F HA 0.661 5.187 4.527 -0.001 0.000 0.328 1105 F C 1.375 177.208 175.800 0.055 0.000 1.084 1105 F CA 1.012 59.054 58.000 0.070 0.000 1.053 1105 F CB 1.636 40.678 39.000 0.071 0.000 1.209 1105 F HN 0.874 nan 8.300 nan 0.000 0.502 1106 G N 0.319 109.247 108.800 0.214 0.000 2.213 1106 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.226 1106 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.226 1106 G C 0.830 175.778 174.900 0.079 0.000 0.992 1106 G CA 0.139 45.318 45.100 0.132 0.000 0.632 1106 G HN 0.537 nan 8.290 nan 0.000 0.511 1107 V N 0.880 120.833 119.914 0.065 0.000 2.295 1107 V HA -0.130 3.990 4.120 -0.001 0.000 0.246 1107 V C 2.549 178.671 176.094 0.047 0.000 1.049 1107 V CA 2.956 65.289 62.300 0.055 0.000 1.024 1107 V CB -0.582 31.261 31.823 0.033 0.000 0.648 1107 V HN 0.564 nan 8.190 nan 0.000 0.447 1108 E N -0.072 120.146 120.200 0.029 0.000 2.077 1108 E HA -0.242 4.108 4.350 -0.001 0.000 0.193 1108 E C 2.224 178.839 176.600 0.026 0.000 0.989 1108 E CA 1.526 57.941 56.400 0.024 0.000 0.800 1108 E CB -0.146 29.562 29.700 0.013 0.000 0.746 1108 E HN 0.645 nan 8.360 nan 0.000 0.452 1109 E N 0.523 120.739 120.200 0.026 0.000 2.072 1109 E HA -0.126 4.223 4.350 -0.001 0.000 0.191 1109 E C 2.018 178.599 176.600 -0.030 0.000 0.985 1109 E CA 0.764 57.169 56.400 0.008 0.000 0.801 1109 E CB -0.085 29.626 29.700 0.019 0.000 0.750 1109 E HN 0.206 nan 8.360 nan 0.000 0.452 1110 L N 0.790 121.993 121.223 -0.034 0.000 2.056 1110 L HA -0.156 4.183 4.340 -0.001 0.000 0.207 1110 L C 2.489 179.302 176.870 -0.094 0.000 1.078 1110 L CA 1.360 56.116 54.840 -0.139 0.000 0.749 1110 L CB -0.716 41.303 42.059 -0.067 0.000 0.901 1110 L HN 0.223 nan 8.230 nan 0.000 0.433 1111 S N -0.536 115.216 115.700 0.086 0.000 2.368 1111 S HA -0.249 4.221 4.470 -0.001 0.000 0.225 1111 S C 2.193 176.864 174.600 0.118 0.000 1.030 1111 S CA 1.606 59.912 58.200 0.177 0.000 0.999 1111 S CB -0.428 62.842 63.200 0.117 0.000 0.844 1111 S HN 0.233 nan 8.310 nan 0.000 0.459 1112 K N 1.503 121.932 120.400 0.048 0.000 2.057 1112 K HA 0.171 4.490 4.320 -0.001 0.000 0.207 1112 K C 2.543 179.156 176.600 0.022 0.000 1.049 1112 K CA 1.237 57.545 56.287 0.035 0.000 0.931 1112 K CB -1.432 31.078 32.500 0.017 0.000 0.714 1112 K HN 0.661 nan 8.250 nan 0.000 0.440 1113 A N -0.700 122.096 122.820 -0.041 0.000 1.902 1113 A HA -0.097 4.222 4.320 -0.001 0.000 0.217 1113 A C 2.180 179.743 177.584 -0.036 0.000 1.181 1113 A CA 1.923 53.910 52.037 -0.085 0.000 0.623 1113 A CB -0.875 18.009 19.000 -0.192 0.000 0.818 1113 A HN 0.690 nan 8.150 nan 0.000 0.443 1114 Y N -0.111 120.217 120.300 0.046 0.000 2.181 1114 Y HA -0.223 4.326 4.550 -0.001 0.000 0.288 1114 Y C 2.635 178.572 175.900 0.061 0.000 1.146 1114 Y CA 1.541 59.675 58.100 0.058 0.000 1.164 1114 Y CB -0.166 38.332 38.460 0.063 0.000 0.982 1114 Y HN 0.407 nan 8.280 nan 0.000 0.515 1115 E N 0.052 120.379 120.200 0.212 0.000 2.077 1115 E HA -0.208 4.141 4.350 -0.001 0.000 0.193 1115 E C 1.584 178.245 176.600 0.102 0.000 0.989 1115 E CA 1.297 57.780 56.400 0.140 0.000 0.800 1115 E CB -0.138 29.624 29.700 0.103 0.000 0.746 1115 E HN 0.448 nan 8.360 nan 0.000 0.452 1116 D N 0.674 121.122 120.400 0.080 0.000 2.221 1116 D HA -0.157 4.482 4.640 -0.001 0.000 0.204 1116 D C 1.334 177.674 176.300 0.066 0.000 0.982 1116 D CA 1.093 55.128 54.000 0.057 0.000 0.857 1116 D CB -0.193 40.628 40.800 0.036 0.000 0.934 1116 D HN 0.082 nan 8.370 nan 0.000 0.475 1117 D N -1.267 119.188 120.400 0.092 0.000 2.339 1117 D HA 0.111 4.750 4.640 -0.001 0.000 0.217 1117 D C 1.253 177.617 176.300 0.106 0.000 1.050 1117 D CA 0.720 54.779 54.000 0.099 0.000 0.856 1117 D CB 0.095 40.971 40.800 0.126 0.000 0.922 1117 D HN 0.194 nan 8.370 nan 0.000 0.518 1118 G N 1.134 109.999 108.800 0.108 0.000 2.143 1118 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.249 1118 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.249 1118 G C 0.117 175.096 174.900 0.131 0.000 0.981 1118 G CA 0.205 45.367 45.100 0.104 0.000 0.665 1118 G HN 0.410 nan 8.290 nan 0.000 0.528 1119 D N 0.641 121.139 120.400 0.163 0.000 2.557 1119 D HA 0.372 5.011 4.640 -0.001 0.000 0.236 1119 D C 1.205 177.611 176.300 0.176 0.000 1.154 1119 D CA -0.531 53.572 54.000 0.173 0.000 0.985 1119 D CB 0.054 40.961 40.800 0.178 0.000 1.010 1119 D HN 0.185 nan 8.370 nan 0.000 0.516 1120 D N 1.119 121.645 120.400 0.211 0.000 2.144 1120 D HA -0.209 4.431 4.640 -0.001 0.000 0.200 1120 D C 1.430 177.871 176.300 0.234 0.000 0.978 1120 D CA 0.754 54.889 54.000 0.225 0.000 0.833 1120 D CB 0.065 41.022 40.800 0.262 0.000 0.961 1120 D HN 0.502 nan 8.370 nan 0.000 0.470 1121 Y N 2.159 122.520 120.300 0.100 0.000 2.081 1121 Y HA -0.275 4.275 4.550 -0.001 0.000 0.280 1121 Y C 2.507 178.369 175.900 -0.064 0.000 1.163 1121 Y CA 1.801 59.812 58.100 -0.148 0.000 1.135 1121 Y CB -0.365 37.853 38.460 -0.403 0.000 0.970 1121 Y HN -0.155 nan 8.280 nan 0.000 0.498 1122 S N -0.985 114.610 115.700 -0.174 0.000 2.402 1122 S HA -0.204 4.266 4.470 -0.001 0.000 0.229 1122 S C 2.239 176.575 174.600 -0.439 0.000 1.021 1122 S CA 1.121 58.988 58.200 -0.555 0.000 0.974 1122 S CB -0.625 61.884 63.200 -1.152 0.000 0.800 1122 S HN 0.591 nan 8.310 nan 0.000 0.484 1123 S N 1.550 117.177 115.700 -0.122 0.000 2.356 1123 S HA -0.060 4.410 4.470 -0.001 0.000 0.223 1123 S C 1.796 176.397 174.600 0.003 0.000 1.032 1123 S CA 1.069 59.320 58.200 0.085 0.000 1.005 1123 S CB -0.464 62.819 63.200 0.139 0.000 0.867 1123 S HN 0.477 nan 8.310 nan 0.000 0.449 1124 I N 0.829 121.358 120.570 -0.067 0.000 2.163 1124 I HA -0.206 3.963 4.170 -0.001 0.000 0.243 1124 I C 2.625 178.640 176.117 -0.170 0.000 1.085 1124 I CA 1.684 62.860 61.300 -0.205 0.000 1.347 1124 I CB -0.365 37.389 38.000 -0.410 0.000 1.044 1124 I HN 0.388 nan 8.210 nan 0.000 0.408 1125 M N 0.364 119.949 119.600 -0.024 0.000 2.080 1125 M HA -0.173 4.306 4.480 -0.001 0.000 0.260 1125 M C 2.213 178.585 176.300 0.119 0.000 1.068 1125 M CA 1.744 57.138 55.300 0.156 0.000 1.109 1125 M CB -0.423 32.163 32.600 -0.024 0.000 1.342 1125 M HN 0.092 nan 8.290 nan 0.000 0.405 1126 V N -0.100 119.853 119.914 0.064 0.000 2.427 1126 V HA -0.268 3.851 4.120 -0.001 0.000 0.248 1126 V C 2.132 178.281 176.094 0.092 0.000 1.051 1126 V CA 1.896 64.271 62.300 0.125 0.000 1.048 1126 V CB -0.460 31.514 31.823 0.251 0.000 0.666 1126 V HN 0.542 nan 8.190 nan 0.000 0.456 1127 K N 0.026 120.458 120.400 0.053 0.000 2.057 1127 K HA -0.118 4.201 4.320 -0.001 0.000 0.207 1127 K C 2.260 178.868 176.600 0.014 0.000 1.049 1127 K CA 1.510 57.808 56.287 0.017 0.000 0.931 1127 K CB -0.437 32.050 32.500 -0.022 0.000 0.714 1127 K HN 0.553 nan 8.250 nan 0.000 0.440 1128 A N 1.418 124.247 122.820 0.016 0.000 1.902 1128 A HA -0.118 4.201 4.320 -0.001 0.000 0.217 1128 A C 2.125 179.801 177.584 0.153 0.000 1.181 1128 A CA 1.193 53.273 52.037 0.072 0.000 0.623 1128 A CB -0.593 18.444 19.000 0.062 0.000 0.818 1128 A HN 0.153 nan 8.150 nan 0.000 0.443 1129 L N -0.758 120.561 121.223 0.161 0.000 2.093 1129 L HA -0.114 4.225 4.340 -0.001 0.000 0.208 1129 L C 2.834 179.708 176.870 0.005 0.000 1.085 1129 L CA 1.001 55.875 54.840 0.057 0.000 0.755 1129 L CB -0.808 41.286 42.059 0.058 0.000 0.904 1129 L HN 0.504 nan 8.230 nan 0.000 0.435 1130 G N -0.242 108.578 108.800 0.032 0.000 2.446 1130 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.217 1130 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.217 1130 G C 1.121 176.027 174.900 0.010 0.000 1.168 1130 G CA 0.929 46.043 45.100 0.023 0.000 0.771 1130 G HN 0.291 nan 8.290 nan 0.000 0.551 1131 D N 0.273 120.678 120.400 0.009 0.000 2.123 1131 D HA -0.067 4.572 4.640 -0.001 0.000 0.196 1131 D C 2.708 179.001 176.300 -0.011 0.000 0.992 1131 D CA 0.572 54.576 54.000 0.007 0.000 0.833 1131 D CB -0.133 40.674 40.800 0.011 0.000 0.954 1131 D HN 0.038 nan 8.370 nan 0.000 0.455 1132 R N 0.292 120.762 120.500 -0.050 0.000 2.081 1132 R HA -0.014 4.325 4.340 -0.001 0.000 0.235 1132 R C 2.567 178.793 176.300 -0.124 0.000 1.131 1132 R CA 0.385 56.396 56.100 -0.149 0.000 0.960 1132 R CB -1.013 29.078 30.300 -0.349 0.000 0.856 1132 R HN 0.317 nan 8.270 nan 0.000 0.436 1133 L N 0.049 121.225 121.223 -0.079 0.000 2.056 1133 L HA -0.085 4.254 4.340 -0.001 0.000 0.207 1133 L C 2.579 179.485 176.870 0.060 0.000 1.078 1133 L CA 1.254 56.078 54.840 -0.026 0.000 0.749 1133 L CB -0.597 41.457 42.059 -0.008 0.000 0.901 1133 L HN 0.135 nan 8.230 nan 0.000 0.433 1134 A N -0.314 122.548 122.820 0.070 0.000 1.902 1134 A HA -0.189 4.130 4.320 -0.001 0.000 0.217 1134 A C 2.208 179.853 177.584 0.102 0.000 1.181 1134 A CA 1.466 53.571 52.037 0.112 0.000 0.623 1134 A CB -0.336 18.702 19.000 0.064 0.000 0.818 1134 A HN 0.351 nan 8.150 nan 0.000 0.443 1135 E N -0.107 120.127 120.200 0.057 0.000 2.106 1135 E HA -0.097 4.252 4.350 -0.001 0.000 0.192 1135 E C 2.335 178.971 176.600 0.060 0.000 0.984 1135 E CA 1.109 57.542 56.400 0.053 0.000 0.806 1135 E CB -0.520 29.198 29.700 0.030 0.000 0.750 1135 E HN 0.583 nan 8.360 nan 0.000 0.458 1136 A N 1.090 123.938 122.820 0.046 0.000 1.902 1136 A HA -0.152 4.167 4.320 -0.001 0.000 0.217 1136 A C 2.081 179.705 177.584 0.067 0.000 1.181 1136 A CA 0.961 53.038 52.037 0.067 0.000 0.623 1136 A CB -0.921 18.101 19.000 0.038 0.000 0.818 1136 A HN 0.318 nan 8.150 nan 0.000 0.443 1137 F N 0.546 120.424 119.950 -0.119 0.000 2.102 1137 F HA -0.175 4.351 4.527 -0.001 0.000 0.298 1137 F C 2.675 178.326 175.800 -0.248 0.000 1.105 1137 F CA 0.858 58.721 58.000 -0.229 0.000 1.239 1137 F CB -0.068 38.803 39.000 -0.214 0.000 0.991 1137 F HN 0.329 nan 8.300 nan 0.000 0.474 1138 A N -0.069 122.756 122.820 0.008 0.000 1.908 1138 A HA -0.295 4.024 4.320 -0.001 0.000 0.218 1138 A C 1.845 179.338 177.584 -0.153 0.000 1.181 1138 A CA 2.078 54.018 52.037 -0.162 0.000 0.627 1138 A CB -0.853 18.163 19.000 0.026 0.000 0.818 1138 A HN 0.501 nan 8.150 nan 0.000 0.445 1139 E N -0.215 119.968 120.200 -0.028 0.000 2.047 1139 E HA -0.166 4.183 4.350 -0.001 0.000 0.191 1139 E C 2.097 178.631 176.600 -0.111 0.000 0.987 1139 E CA 1.403 57.811 56.400 0.013 0.000 0.799 1139 E CB -0.247 29.529 29.700 0.127 0.000 0.752 1139 E HN 0.560 nan 8.360 nan 0.000 0.449 1140 E N 0.063 120.079 120.200 -0.307 0.000 2.077 1140 E HA -0.182 4.167 4.350 -0.001 0.000 0.193 1140 E C 2.089 178.521 176.600 -0.280 0.000 0.989 1140 E CA 0.976 56.995 56.400 -0.635 0.000 0.800 1140 E CB -0.228 28.897 29.700 -0.958 0.000 0.746 1140 E HN 0.295 nan 8.360 nan 0.000 0.452 1141 L N 1.015 122.140 121.223 -0.163 0.000 2.083 1141 L HA -0.154 4.185 4.340 -0.001 0.000 0.209 1141 L C 2.473 179.282 176.870 -0.100 0.000 1.083 1141 L CA 1.877 56.645 54.840 -0.119 0.000 0.752 1141 L CB -0.842 41.097 42.059 -0.199 0.000 0.899 1141 L HN 0.216 nan 8.230 nan 0.000 0.433 1142 H N -0.127 118.779 119.070 -0.273 0.000 2.387 1142 H HA -0.179 4.376 4.556 -0.001 0.000 0.299 1142 H C 2.161 177.297 175.328 -0.320 0.000 1.090 1142 H CA 2.007 57.886 56.048 -0.282 0.000 1.332 1142 H CB 0.048 29.677 29.762 -0.221 0.000 1.386 1142 H HN 0.584 nan 8.280 nan 0.000 0.516 1143 E N 0.301 120.341 120.200 -0.266 0.000 2.038 1143 E HA -0.202 4.148 4.350 -0.001 0.000 0.195 1143 E C 2.410 178.889 176.600 -0.201 0.000 1.000 1143 E CA 0.968 57.196 56.400 -0.287 0.000 0.803 1143 E CB 0.025 29.635 29.700 -0.150 0.000 0.750 1143 E HN 0.424 nan 8.360 nan 0.000 0.448 1144 R N 0.062 120.493 120.500 -0.115 0.000 2.096 1144 R HA -0.172 4.167 4.340 -0.001 0.000 0.240 1144 R C 2.513 178.797 176.300 -0.027 0.000 1.139 1144 R CA 1.625 57.703 56.100 -0.037 0.000 0.952 1144 R CB -0.556 29.767 30.300 0.039 0.000 0.854 1144 R HN 0.156 nan 8.270 nan 0.000 0.436 1145 V N 1.158 121.047 119.914 -0.041 0.000 2.252 1145 V HA -0.312 3.807 4.120 -0.001 0.000 0.249 1145 V C 2.398 178.440 176.094 -0.088 0.000 1.056 1145 V CA 1.934 64.237 62.300 0.005 0.000 1.022 1145 V CB -0.502 31.182 31.823 -0.232 0.000 0.641 1145 V HN 0.362 nan 8.190 nan 0.000 0.445 1146 R N -0.426 119.880 120.500 -0.323 0.000 2.096 1146 R HA -0.114 4.225 4.340 -0.001 0.000 0.235 1146 R C 2.425 178.400 176.300 -0.542 0.000 1.127 1146 R CA 1.497 57.170 56.100 -0.711 0.000 0.968 1146 R CB -0.278 29.556 30.300 -0.776 0.000 0.861 1146 R HN 0.508 nan 8.270 nan 0.000 0.440 1147 R N -0.432 119.891 120.500 -0.296 0.000 2.206 1147 R HA 0.058 4.397 4.340 -0.001 0.000 0.198 1147 R C 1.326 177.565 176.300 -0.101 0.000 0.986 1147 R CA 0.741 56.725 56.100 -0.193 0.000 1.029 1147 R CB 0.379 30.596 30.300 -0.139 0.000 0.966 1147 R HN 0.278 nan 8.270 nan 0.000 0.487 1148 E N -0.137 120.032 120.200 -0.052 0.000 2.629 1148 E HA 0.125 4.474 4.350 -0.001 0.000 0.197 1148 E C 1.785 178.414 176.600 0.048 0.000 0.955 1148 E CA -0.079 56.328 56.400 0.012 0.000 1.191 1148 E CB 0.230 29.958 29.700 0.046 0.000 1.175 1148 E HN -0.022 nan 8.360 nan 0.000 0.501 1149 L N 0.268 121.554 121.223 0.105 0.000 2.044 1149 L HA -0.033 4.306 4.340 -0.001 0.000 0.205 1149 L C 2.302 179.073 176.870 -0.165 0.000 1.075 1149 L CA 0.924 55.861 54.840 0.162 0.000 0.747 1149 L CB -0.237 42.084 42.059 0.436 0.000 0.903 1149 L HN 0.318 nan 8.230 nan 0.000 0.435 1150 W N 0.404 121.478 121.300 -0.377 0.000 2.526 1150 W HA 0.164 4.823 4.660 -0.001 0.000 0.294 1150 W C 1.426 177.784 176.519 -0.268 0.000 1.181 1150 W CA 0.958 57.982 57.345 -0.535 0.000 1.373 1150 W CB 0.078 29.360 29.460 -0.297 0.000 1.112 1150 W HN 0.216 nan 8.180 nan 0.000 0.545 1151 A N 0.501 123.348 122.820 0.046 0.000 2.869 1151 A HA -0.328 3.991 4.320 -0.001 0.000 0.280 1151 A C 0.610 178.177 177.584 -0.029 0.000 1.458 1151 A CA 1.481 53.488 52.037 -0.050 0.000 0.776 1151 A CB -2.885 16.105 19.000 -0.018 0.000 1.028 1151 A HN 0.812 nan 8.150 nan 0.000 0.547 1152 Y N -4.056 116.161 120.300 -0.138 0.000 2.544 1152 Y HA 0.447 4.996 4.550 -0.001 0.000 0.286 1152 Y C 1.229 177.045 175.900 -0.140 0.000 1.141 1152 Y CA 0.122 58.108 58.100 -0.191 0.000 1.299 1152 Y CB -0.206 37.993 38.460 -0.434 0.000 1.030 1152 Y HN 0.716 nan 8.280 nan 0.000 0.543 1153 C N 2.266 121.321 119.300 -0.407 0.000 3.471 1153 C HA 0.547 5.006 4.460 -0.001 0.000 0.191 1153 C C 2.016 176.878 174.990 -0.214 0.000 1.480 1153 C CA -0.251 58.602 59.018 -0.275 0.000 1.281 1153 C CB -0.941 26.589 27.740 -0.350 0.000 1.898 1153 C HN 0.754 nan 8.230 nan 0.000 0.533 1154 G N 1.306 110.027 108.800 -0.133 0.000 2.470 1154 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.220 1154 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.220 1154 G C 1.577 176.434 174.900 -0.070 0.000 1.121 1154 G CA 1.425 46.470 45.100 -0.092 0.000 0.766 1154 G HN 0.856 nan 8.290 nan 0.000 0.553 1155 S N -0.559 115.103 115.700 -0.062 0.000 2.575 1155 S HA 0.176 4.645 4.470 -0.001 0.000 0.215 1155 S C 0.671 175.243 174.600 -0.046 0.000 0.966 1155 S CA -0.216 57.958 58.200 -0.042 0.000 0.911 1155 S CB 0.134 63.317 63.200 -0.028 0.000 0.780 1155 S HN 0.496 nan 8.310 nan 0.000 0.514 1156 E N 1.229 121.387 120.200 -0.070 0.000 2.465 1156 E HA 0.306 4.656 4.350 -0.001 0.000 0.260 1156 E C -0.284 176.291 176.600 -0.043 0.000 0.980 1156 E CA 0.543 56.905 56.400 -0.064 0.000 0.927 1156 E CB 0.269 29.904 29.700 -0.110 0.000 0.934 1156 E HN 0.550 nan 8.360 nan 0.000 0.459 1157 Q N 5.327 125.114 119.800 -0.022 0.000 3.255 1157 Q HA 0.380 4.719 4.340 -0.001 0.000 0.231 1157 Q C -1.349 174.651 176.000 0.000 0.000 0.935 1157 Q CA -0.334 55.463 55.803 -0.011 0.000 0.714 1157 Q CB 0.484 29.216 28.738 -0.010 0.000 1.345 1157 Q HN 0.540 nan 8.270 nan 0.000 0.463 1158 L N 1.839 123.068 121.223 0.009 0.000 2.342 1158 L HA 0.608 4.947 4.340 -0.001 0.000 0.271 1158 L C 0.282 177.163 176.870 0.019 0.000 1.008 1158 L CA -1.266 53.589 54.840 0.024 0.000 0.818 1158 L CB 2.152 44.243 42.059 0.055 0.000 1.296 1158 L HN 0.850 nan 8.230 nan 0.000 0.427 1159 D N 1.191 121.600 120.400 0.014 0.000 2.358 1159 D HA 0.066 4.705 4.640 -0.001 0.000 0.244 1159 D C 0.988 177.290 176.300 0.003 0.000 1.163 1159 D CA -0.581 53.415 54.000 -0.006 0.000 0.945 1159 D CB 1.955 42.753 40.800 -0.003 0.000 1.152 1159 D HN 0.171 nan 8.370 nan 0.000 0.451 1160 V N 1.312 121.200 119.914 -0.045 0.000 2.469 1160 V HA -0.262 3.857 4.120 -0.001 0.000 0.251 1160 V C 2.641 178.764 176.094 0.048 0.000 1.064 1160 V CA 2.333 64.615 62.300 -0.030 0.000 1.066 1160 V CB -1.039 30.709 31.823 -0.126 0.000 0.667 1160 V HN 0.794 nan 8.190 nan 0.000 0.461 1161 A N -0.279 122.566 122.820 0.043 0.000 1.933 1161 A HA -0.236 4.083 4.320 -0.001 0.000 0.218 1161 A C 2.014 179.637 177.584 0.065 0.000 1.175 1161 A CA 1.924 53.997 52.037 0.060 0.000 0.628 1161 A CB -0.526 18.502 19.000 0.048 0.000 0.814 1161 A HN 0.509 nan 8.150 nan 0.000 0.444 1162 D N -0.055 120.382 120.400 0.062 0.000 2.183 1162 D HA -0.051 4.588 4.640 -0.001 0.000 0.203 1162 D C 1.935 178.305 176.300 0.116 0.000 0.969 1162 D CA 0.717 54.757 54.000 0.067 0.000 0.842 1162 D CB -0.190 40.643 40.800 0.056 0.000 0.957 1162 D HN 0.473 nan 8.370 nan 0.000 0.484 1163 L N 0.215 121.540 121.223 0.170 0.000 2.093 1163 L HA -0.087 4.252 4.340 -0.001 0.000 0.208 1163 L C 2.518 179.553 176.870 0.275 0.000 1.085 1163 L CA 0.938 55.964 54.840 0.310 0.000 0.755 1163 L CB -0.301 41.913 42.059 0.257 0.000 0.904 1163 L HN -0.066 nan 8.230 nan 0.000 0.435 1164 R N 0.261 120.862 120.500 0.169 0.000 2.120 1164 R HA -0.130 4.209 4.340 -0.001 0.000 0.234 1164 R C 2.516 178.864 176.300 0.081 0.000 1.123 1164 R CA 1.517 57.695 56.100 0.129 0.000 0.975 1164 R CB -0.395 29.970 30.300 0.107 0.000 0.866 1164 R HN 0.356 nan 8.270 nan 0.000 0.446 1165 R N 1.104 121.636 120.500 0.053 0.000 2.313 1165 R HA 0.129 4.468 4.340 -0.001 0.000 0.199 1165 R C 1.165 177.432 176.300 -0.056 0.000 0.958 1165 R CA 0.557 56.661 56.100 0.008 0.000 1.047 1165 R CB -1.014 29.292 30.300 0.010 0.000 0.955 1165 R HN 0.307 nan 8.270 nan 0.000 0.481 1166 L N -2.431 118.722 121.223 -0.117 0.000 3.634 1166 L HA -0.302 4.037 4.340 -0.001 0.000 0.423 1166 L C 1.834 178.461 176.870 -0.404 0.000 1.253 1166 L CA 0.561 55.148 54.840 -0.423 0.000 0.885 1166 L CB -2.529 39.368 42.059 -0.269 0.000 1.789 1166 L HN 0.575 nan 8.230 nan 0.000 0.904 1167 R N 0.268 120.638 120.500 -0.218 0.000 2.280 1167 R HA 0.032 4.371 4.340 -0.001 0.000 0.207 1167 R C 0.745 177.000 176.300 -0.075 0.000 1.043 1167 R CA 1.504 57.543 56.100 -0.102 0.000 1.006 1167 R CB -0.720 29.575 30.300 -0.008 0.000 0.885 1167 R HN 0.688 nan 8.270 nan 0.000 0.467 1168 Y N -1.244 119.048 120.300 -0.014 0.000 2.340 1168 Y HA 0.667 5.216 4.550 -0.001 0.000 0.327 1168 Y C -0.008 175.877 175.900 -0.025 0.000 1.321 1168 Y CA -2.027 56.047 58.100 -0.043 0.000 1.433 1168 Y CB 0.917 39.319 38.460 -0.097 0.000 1.373 1168 Y HN -0.225 nan 8.280 nan 0.000 0.538 1169 K N 0.880 121.435 120.400 0.258 0.000 2.203 1169 K HA 0.618 4.937 4.320 -0.001 0.000 0.251 1169 K C -0.052 176.737 176.600 0.316 0.000 0.944 1169 K CA -0.052 56.340 56.287 0.176 0.000 0.829 1169 K CB 1.271 33.849 32.500 0.130 0.000 1.125 1169 K HN 1.191 nan 8.250 nan 0.000 0.430 1170 G N 1.234 110.117 108.800 0.139 0.000 2.699 1170 G HA2 -0.123 3.836 3.960 -0.001 0.000 0.686 1170 G HA3 -0.123 3.836 3.960 -0.001 0.000 0.686 1170 G C -0.559 174.498 174.900 0.262 0.000 1.301 1170 G CA -0.446 44.741 45.100 0.146 0.000 0.816 1170 G HN 0.696 nan 8.290 nan 0.000 0.595 1171 I N -2.619 118.086 120.570 0.226 0.000 3.074 1171 I HA 0.939 5.108 4.170 -0.001 0.000 0.310 1171 I C 0.330 176.647 176.117 0.334 0.000 1.153 1171 I CA -1.636 59.725 61.300 0.102 0.000 0.993 1171 I CB 2.482 40.091 38.000 -0.652 0.000 1.237 1171 I HN 0.852 nan 8.210 nan 0.000 0.443 1172 R N 1.136 121.833 120.500 0.330 0.000 2.795 1172 R HA 0.477 4.816 4.340 -0.001 0.000 0.320 1172 R C -2.941 173.542 176.300 0.304 0.000 1.223 1172 R CA -1.244 55.014 56.100 0.263 0.000 1.305 1172 R CB -0.020 30.267 30.300 -0.023 0.000 1.318 1172 R HN 0.402 nan 8.270 nan 0.000 0.636 1173 P HA 0.125 nan 4.420 nan 0.000 0.271 1173 P C -0.527 176.824 177.300 0.085 0.000 1.216 1173 P CA 0.043 63.305 63.100 0.270 0.000 0.771 1173 P CB 1.547 33.403 31.700 0.259 0.000 0.864 1174 A N 5.201 128.007 122.820 -0.023 0.000 2.312 1174 A HA 0.642 4.961 4.320 -0.001 0.000 0.328 1174 A C -2.400 175.248 177.584 0.107 0.000 1.158 1174 A CA -2.124 49.915 52.037 0.003 0.000 0.821 1174 A CB -0.310 18.679 19.000 -0.019 0.000 1.170 1174 A HN 0.352 nan 8.150 nan 0.000 0.490 1175 P HA 0.259 nan 4.420 nan 0.000 0.264 1175 P C 1.086 178.263 177.300 -0.206 0.000 1.183 1175 P CA 2.016 65.102 63.100 -0.024 0.000 0.763 1175 P CB 0.694 32.392 31.700 -0.004 0.000 0.807 1176 G N 0.913 109.471 108.800 -0.403 0.000 2.279 1176 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.223 1176 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.223 1176 G C -0.067 174.574 174.900 -0.432 0.000 1.015 1176 G CA -0.454 44.098 45.100 -0.913 0.000 0.621 1176 G HN 0.430 nan 8.290 nan 0.000 0.506 1177 Y N 1.098 121.275 120.300 -0.205 0.000 2.281 1177 Y HA 0.423 4.972 4.550 -0.001 0.000 0.337 1177 Y C -0.691 175.135 175.900 -0.123 0.000 1.304 1177 Y CA -1.045 56.980 58.100 -0.125 0.000 1.465 1177 Y CB 0.580 38.974 38.460 -0.110 0.000 1.350 1177 Y HN -0.063 nan 8.280 nan 0.000 0.575 1178 P HA -0.182 nan 4.420 nan 0.000 0.221 1178 P C 1.135 178.353 177.300 -0.136 0.000 1.145 1178 P CA 2.160 65.237 63.100 -0.038 0.000 0.795 1178 P CB 0.051 31.738 31.700 -0.022 0.000 0.775 1179 S N -2.691 112.868 115.700 -0.236 0.000 2.453 1179 S HA -0.044 4.425 4.470 -0.001 0.000 0.231 1179 S C 1.063 175.504 174.600 -0.265 0.000 1.005 1179 S CA 0.645 58.501 58.200 -0.573 0.000 0.949 1179 S CB -0.364 62.506 63.200 -0.550 0.000 0.774 1179 S HN 0.047 nan 8.310 nan 0.000 0.510 1180 Q N 0.285 120.034 119.800 -0.085 0.000 3.782 1180 Q HA 0.274 4.613 4.340 -0.001 0.000 0.173 1180 Q C -2.916 173.071 176.000 -0.021 0.000 0.841 1180 Q CA -1.032 54.771 55.803 0.001 0.000 0.810 1180 Q CB 1.504 30.286 28.738 0.073 0.000 1.481 1180 Q HN 0.130 nan 8.270 nan 0.000 0.465 1181 P HA -0.064 nan 4.420 nan 0.000 0.236 1181 P C 0.093 177.372 177.300 -0.035 0.000 1.172 1181 P CA 0.578 63.643 63.100 -0.059 0.000 0.759 1181 P CB 0.243 31.934 31.700 -0.014 0.000 0.843 1182 D N -0.872 119.531 120.400 0.007 0.000 2.359 1182 D HA -0.020 4.619 4.640 -0.001 0.000 0.250 1182 D C 0.878 177.166 176.300 -0.021 0.000 1.264 1182 D CA -0.024 54.018 54.000 0.071 0.000 0.911 1182 D CB -0.058 40.837 40.800 0.158 0.000 1.056 1182 D HN 0.180 nan 8.370 nan 0.000 0.499 1183 H N 0.862 119.915 119.070 -0.029 0.000 2.457 1183 H HA -0.124 4.432 4.556 -0.001 0.000 0.297 1183 H C 2.029 177.174 175.328 -0.304 0.000 1.092 1183 H CA 1.987 57.957 56.048 -0.130 0.000 1.309 1183 H CB 0.258 29.976 29.762 -0.074 0.000 1.382 1183 H HN 0.468 nan 8.280 nan 0.000 0.535 1184 T N -1.508 112.804 114.554 -0.404 0.000 3.051 1184 T HA -0.091 4.258 4.350 -0.001 0.000 0.269 1184 T C 1.612 176.207 174.700 -0.175 0.000 1.127 1184 T CA 0.689 62.506 62.100 -0.472 0.000 1.107 1184 T CB 0.096 68.549 68.868 -0.691 0.000 0.898 1184 T HN 0.277 nan 8.240 nan 0.000 0.517 1185 E N 1.642 121.824 120.200 -0.030 0.000 2.265 1185 E HA -0.046 4.303 4.350 -0.001 0.000 0.196 1185 E C 2.033 178.739 176.600 0.178 0.000 0.996 1185 E CA 0.695 57.175 56.400 0.134 0.000 0.832 1185 E CB -0.155 29.692 29.700 0.245 0.000 0.756 1185 E HN 0.647 nan 8.360 nan 0.000 0.491 1186 K N 0.446 120.893 120.400 0.078 0.000 2.152 1186 K HA -0.092 4.227 4.320 -0.001 0.000 0.206 1186 K C 2.249 178.938 176.600 0.148 0.000 1.048 1186 K CA 0.667 57.027 56.287 0.122 0.000 0.933 1186 K CB -0.134 32.306 32.500 -0.099 0.000 0.721 1186 K HN 0.103 nan 8.250 nan 0.000 0.447 1187 L N 0.393 121.614 121.223 -0.004 0.000 2.042 1187 L HA -0.223 4.116 4.340 -0.001 0.000 0.210 1187 L C 2.335 179.250 176.870 0.075 0.000 1.076 1187 L CA 1.408 56.247 54.840 -0.002 0.000 0.749 1187 L CB -0.744 41.261 42.059 -0.090 0.000 0.893 1187 L HN 0.222 nan 8.230 nan 0.000 0.432 1188 T N -0.525 114.053 114.554 0.039 0.000 2.777 1188 T HA -0.180 4.169 4.350 -0.001 0.000 0.266 1188 T C 1.928 176.655 174.700 0.046 0.000 1.040 1188 T CA 1.370 63.427 62.100 -0.072 0.000 1.141 1188 T CB -0.175 68.498 68.868 -0.324 0.000 0.868 1188 T HN 0.216 nan 8.240 nan 0.000 0.444 1189 M N -0.383 119.401 119.600 0.307 0.000 2.080 1189 M HA -0.098 4.381 4.480 -0.001 0.000 0.260 1189 M C 2.309 178.712 176.300 0.173 0.000 1.068 1189 M CA 1.778 57.265 55.300 0.312 0.000 1.109 1189 M CB -0.334 32.471 32.600 0.342 0.000 1.342 1189 M HN 0.356 nan 8.290 nan 0.000 0.405 1190 W N 0.183 121.481 121.300 -0.004 0.000 2.388 1190 W HA -0.142 4.518 4.660 -0.001 0.000 0.294 1190 W C 2.652 179.158 176.519 -0.021 0.000 1.212 1190 W CA 1.080 58.418 57.345 -0.012 0.000 1.271 1190 W CB -0.385 29.064 29.460 -0.018 0.000 1.126 1190 W HN 0.308 nan 8.180 nan 0.000 0.535 1191 R N 0.427 121.015 120.500 0.145 0.000 2.057 1191 R HA -0.179 4.160 4.340 -0.001 0.000 0.229 1191 R C 2.389 178.670 176.300 -0.033 0.000 1.136 1191 R CA 1.519 57.641 56.100 0.036 0.000 0.952 1191 R CB -0.901 29.393 30.300 -0.011 0.000 0.848 1191 R HN 0.090 nan 8.270 nan 0.000 0.430 1192 L N 0.596 121.757 121.223 -0.102 0.000 2.012 1192 L HA -0.082 4.257 4.340 -0.001 0.000 0.210 1192 L C 1.884 178.705 176.870 -0.082 0.000 1.073 1192 L CA 2.362 57.075 54.840 -0.211 0.000 0.748 1192 L CB -0.451 41.343 42.059 -0.442 0.000 0.891 1192 L HN 0.253 nan 8.230 nan 0.000 0.431 1193 A N -1.729 121.079 122.820 -0.020 0.000 2.307 1193 A HA 0.125 4.444 4.320 -0.001 0.000 0.218 1193 A C 0.752 178.334 177.584 -0.003 0.000 1.228 1193 A CA 0.546 52.639 52.037 0.093 0.000 0.857 1193 A CB -0.553 18.505 19.000 0.096 0.000 0.897 1193 A HN 0.577 nan 8.150 nan 0.000 0.495 1194 D N -0.748 119.640 120.400 -0.020 0.000 2.686 1194 D HA -0.187 4.453 4.640 -0.001 0.000 0.235 1194 D C 0.656 176.913 176.300 -0.071 0.000 1.160 1194 D CA 0.840 54.831 54.000 -0.016 0.000 0.645 1194 D CB -1.614 39.191 40.800 0.008 0.000 1.039 1194 D HN 0.556 nan 8.370 nan 0.000 0.423 1195 I N -0.340 120.106 120.570 -0.207 0.000 2.202 1195 I HA -0.212 3.957 4.170 -0.001 0.000 0.242 1195 I C 2.438 178.464 176.117 -0.151 0.000 1.091 1195 I CA 1.261 62.323 61.300 -0.398 0.000 1.368 1195 I CB -0.201 37.082 38.000 -1.195 0.000 1.058 1195 I HN 0.279 nan 8.210 nan 0.000 0.410 1196 E N 0.660 120.890 120.200 0.051 0.000 2.051 1196 E HA -0.259 4.090 4.350 -0.001 0.000 0.192 1196 E C 2.192 178.855 176.600 0.105 0.000 0.991 1196 E CA 1.193 57.708 56.400 0.191 0.000 0.799 1196 E CB 0.131 29.994 29.700 0.273 0.000 0.748 1196 E HN 0.376 nan 8.360 nan 0.000 0.449 1197 Q N -0.113 119.726 119.800 0.066 0.000 2.297 1197 Q HA -0.016 4.323 4.340 -0.001 0.000 0.204 1197 Q C 2.107 178.118 176.000 0.018 0.000 0.962 1197 Q CA 0.823 56.650 55.803 0.040 0.000 0.879 1197 Q CB 0.212 28.969 28.738 0.031 0.000 0.947 1197 Q HN 0.146 nan 8.270 nan 0.000 0.462 1198 S N -0.251 115.450 115.700 0.002 0.000 2.439 1198 S HA -0.031 4.439 4.470 -0.001 0.000 0.224 1198 S C 1.782 176.383 174.600 0.002 0.000 1.029 1198 S CA 1.320 59.512 58.200 -0.014 0.000 0.946 1198 S CB 0.280 63.456 63.200 -0.040 0.000 0.797 1198 S HN 0.636 nan 8.310 nan 0.000 0.504 1199 T N -3.552 111.021 114.554 0.031 0.000 2.993 1199 T HA 0.447 4.797 4.350 -0.001 0.000 0.260 1199 T C 1.431 176.223 174.700 0.154 0.000 0.939 1199 T CA 0.843 62.994 62.100 0.084 0.000 0.886 1199 T CB 0.441 69.374 68.868 0.109 0.000 1.209 1199 T HN 0.470 nan 8.240 nan 0.000 0.518 1200 G N 2.086 110.985 108.800 0.165 0.000 2.184 1200 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.264 1200 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.264 1200 G C 0.057 175.208 174.900 0.419 0.000 0.975 1200 G CA 0.208 45.459 45.100 0.253 0.000 0.642 1200 G HN 0.716 nan 8.290 nan 0.000 0.536 1201 I N 1.551 122.368 120.570 0.411 0.000 2.452 1201 I HA 0.310 4.479 4.170 -0.001 0.000 0.287 1201 I C 1.125 177.535 176.117 0.488 0.000 1.079 1201 I CA -0.115 61.414 61.300 0.382 0.000 1.387 1201 I CB 0.484 38.684 38.000 0.333 0.000 1.404 1201 I HN 0.059 nan 8.210 nan 0.000 0.522 1202 R N 5.984 126.666 120.500 0.302 0.000 2.720 1202 R HA 0.684 5.023 4.340 -0.001 0.000 0.272 1202 R C -0.948 175.301 176.300 -0.085 0.000 0.991 1202 R CA -1.043 55.160 56.100 0.172 0.000 1.010 1202 R CB 1.749 32.100 30.300 0.085 0.000 1.141 1202 R HN 0.507 nan 8.270 nan 0.000 0.494 1203 L N 1.747 122.775 121.223 -0.324 0.000 2.282 1203 L HA 0.302 4.641 4.340 -0.001 0.000 0.288 1203 L C 0.953 177.691 176.870 -0.220 0.000 1.033 1203 L CA -0.582 53.987 54.840 -0.451 0.000 0.807 1203 L CB 1.648 43.281 42.059 -0.710 0.000 1.209 1203 L HN 0.797 nan 8.230 nan 0.000 0.423 1204 T N -1.815 112.639 114.554 -0.167 0.000 2.729 1204 T HA 0.073 4.422 4.350 -0.001 0.000 0.298 1204 T C 0.930 175.584 174.700 -0.077 0.000 1.013 1204 T CA -0.426 61.617 62.100 -0.094 0.000 0.957 1204 T CB 1.112 69.936 68.868 -0.073 0.000 1.130 1204 T HN 0.575 nan 8.240 nan 0.000 0.526 1205 E N 0.176 120.353 120.200 -0.039 0.000 2.204 1205 E HA -0.086 4.264 4.350 -0.001 0.000 0.195 1205 E C 2.143 178.768 176.600 0.041 0.000 0.990 1205 E CA 1.456 57.854 56.400 -0.004 0.000 0.821 1205 E CB -0.486 29.213 29.700 -0.002 0.000 0.750 1205 E HN 0.747 nan 8.360 nan 0.000 0.477 1206 S N -0.568 115.139 115.700 0.012 0.000 2.593 1206 S HA 0.084 4.553 4.470 -0.001 0.000 0.217 1206 S C 0.970 175.588 174.600 0.030 0.000 0.966 1206 S CA 0.275 58.501 58.200 0.043 0.000 0.914 1206 S CB -0.285 62.892 63.200 -0.038 0.000 0.776 1206 S HN 0.375 nan 8.310 nan 0.000 0.523 1207 L N -0.978 120.217 121.223 -0.047 0.000 4.291 1207 L HA -0.198 4.141 4.340 -0.001 0.000 0.413 1207 L C 0.698 177.472 176.870 -0.160 0.000 1.162 1207 L CA 0.075 54.826 54.840 -0.149 0.000 0.961 1207 L CB -2.709 39.250 42.059 -0.167 0.000 2.095 1207 L HN 0.568 nan 8.230 nan 0.000 0.838 1208 A N 0.127 122.868 122.820 -0.132 0.000 2.386 1208 A HA 0.603 4.922 4.320 -0.001 0.000 0.248 1208 A C 0.529 178.026 177.584 -0.146 0.000 1.082 1208 A CA -0.111 51.859 52.037 -0.111 0.000 0.789 1208 A CB 0.390 19.339 19.000 -0.085 0.000 1.025 1208 A HN 0.269 nan 8.150 nan 0.000 0.490 1209 M N 1.154 120.691 119.600 -0.105 0.000 2.235 1209 M HA 0.443 4.922 4.480 -0.001 0.000 0.351 1209 M C 0.264 176.531 176.300 -0.055 0.000 1.178 1209 M CA 0.300 55.550 55.300 -0.082 0.000 1.143 1209 M CB 1.206 33.817 32.600 0.018 0.000 1.530 1209 M HN 0.755 nan 8.290 nan 0.000 0.461 1210 A N 4.657 127.454 122.820 -0.037 0.000 2.343 1210 A HA 0.793 5.112 4.320 -0.001 0.000 0.308 1210 A C -2.664 174.879 177.584 -0.068 0.000 1.092 1210 A CA -1.609 50.401 52.037 -0.046 0.000 0.751 1210 A CB 0.676 19.661 19.000 -0.025 0.000 1.203 1210 A HN 0.460 nan 8.150 nan 0.000 0.452 1211 P HA 0.213 nan 4.420 nan 0.000 0.272 1211 P C 0.925 178.143 177.300 -0.137 0.000 1.230 1211 P CA 0.299 63.271 63.100 -0.213 0.000 0.788 1211 P CB 0.997 32.459 31.700 -0.397 0.000 0.949 1212 A N 1.720 124.486 122.820 -0.089 0.000 1.972 1212 A HA -0.081 4.238 4.320 -0.001 0.000 0.219 1212 A C 1.317 178.875 177.584 -0.043 0.000 1.169 1212 A CA 1.200 53.205 52.037 -0.053 0.000 0.635 1212 A CB -1.199 17.778 19.000 -0.039 0.000 0.810 1212 A HN 0.547 nan 8.150 nan 0.000 0.446 1213 S N 0.652 116.315 115.700 -0.061 0.000 3.900 1213 S HA 0.554 5.024 4.470 -0.001 0.000 0.248 1213 S C -0.047 174.528 174.600 -0.041 0.000 1.310 1213 S CA 0.353 58.531 58.200 -0.037 0.000 0.915 1213 S CB -0.494 62.689 63.200 -0.030 0.000 1.588 1213 S HN 0.783 nan 8.310 nan 0.000 0.472 1214 A N 2.189 125.002 122.820 -0.013 0.000 2.594 1214 A HA 0.831 5.150 4.320 -0.001 0.000 0.295 1214 A C -1.087 176.516 177.584 0.032 0.000 1.071 1214 A CA -0.681 51.356 52.037 0.000 0.000 0.685 1214 A CB 1.419 20.416 19.000 -0.004 0.000 1.285 1214 A HN 0.388 nan 8.150 nan 0.000 0.405 1215 V N 0.937 120.866 119.914 0.025 0.000 2.888 1215 V HA 0.846 4.965 4.120 -0.001 0.000 0.309 1215 V C 0.026 176.023 176.094 -0.162 0.000 1.114 1215 V CA 0.016 62.331 62.300 0.025 0.000 0.940 1215 V CB 2.005 33.907 31.823 0.131 0.000 1.021 1215 V HN 1.601 nan 8.190 nan 0.000 0.426 1216 S N 1.595 117.076 115.700 -0.363 0.000 2.685 1216 S HA 1.046 5.515 4.470 -0.001 0.000 0.282 1216 S C -0.424 173.544 174.600 -1.054 0.000 1.159 1216 S CA -0.123 57.520 58.200 -0.929 0.000 0.833 1216 S CB 2.327 65.346 63.200 -0.302 0.000 1.151 1216 S HN 2.090 nan 8.310 nan 0.000 0.485 1217 G N -0.342 107.737 108.800 -1.202 0.000 2.338 1217 G HA2 0.448 4.407 3.960 -0.001 0.000 0.295 1217 G HA3 0.448 4.407 3.960 -0.001 0.000 0.295 1217 G C -2.172 172.465 174.900 -0.438 0.000 1.461 1217 G CA -0.987 43.786 45.100 -0.545 0.000 0.817 1217 G HN 0.833 nan 8.290 nan 0.000 0.556 1218 L N 0.214 121.312 121.223 -0.209 0.000 2.309 1218 L HA 0.522 4.862 4.340 -0.001 0.000 0.282 1218 L C -0.837 176.030 176.870 -0.005 0.000 1.036 1218 L CA -0.978 53.740 54.840 -0.204 0.000 0.806 1218 L CB 1.441 43.381 42.059 -0.198 0.000 1.220 1218 L HN 0.480 nan 8.230 nan 0.000 0.429 1219 Y N 2.286 122.669 120.300 0.139 0.000 2.341 1219 Y HA 0.416 4.966 4.550 -0.001 0.000 0.340 1219 Y C -0.338 175.694 175.900 0.221 0.000 0.997 1219 Y CA -0.530 57.755 58.100 0.309 0.000 1.149 1219 Y CB 0.790 39.575 38.460 0.541 0.000 1.171 1219 Y HN 0.248 nan 8.280 nan 0.000 0.494 1220 F N 1.061 121.252 119.950 0.401 0.000 2.458 1220 F HA 0.268 4.794 4.527 -0.002 0.000 0.336 1220 F C 1.129 176.862 175.800 -0.111 0.000 1.114 1220 F CA -0.485 57.650 58.000 0.226 0.000 0.987 1220 F CB 1.955 41.061 39.000 0.177 0.000 1.130 1220 F HN 0.517 nan 8.300 nan 0.000 0.458 1221 S N 0.866 116.357 115.700 -0.349 0.000 2.503 1221 S HA 0.004 4.473 4.470 -0.001 0.000 0.215 1221 S C 0.605 174.769 174.600 -0.727 0.000 1.003 1221 S CA -0.282 57.176 58.200 -1.237 0.000 0.910 1221 S CB -0.222 61.651 63.200 -2.211 0.000 0.790 1221 S HN 0.616 nan 8.310 nan 0.000 0.514 1222 N N 2.042 120.607 118.700 -0.224 0.000 2.454 1222 N HA 0.002 4.741 4.740 -0.001 0.000 0.260 1222 N C 1.069 176.490 175.510 -0.149 0.000 1.218 1222 N CA 0.037 53.028 53.050 -0.098 0.000 0.904 1222 N CB 0.976 39.534 38.487 0.119 0.000 1.065 1222 N HN 0.360 nan 8.380 nan 0.000 0.462 1223 L N 5.253 126.416 121.223 -0.100 0.000 2.089 1223 L HA -0.178 4.161 4.340 -0.001 0.000 0.213 1223 L C 1.502 178.305 176.870 -0.111 0.000 1.079 1223 L CA 1.893 56.690 54.840 -0.071 0.000 0.758 1223 L CB -0.081 41.962 42.059 -0.027 0.000 0.891 1223 L HN 0.564 nan 8.230 nan 0.000 0.433 1224 K N 0.018 120.353 120.400 -0.109 0.000 2.404 1224 K HA 0.147 4.466 4.320 -0.001 0.000 0.194 1224 K C 0.721 177.058 176.600 -0.439 0.000 1.023 1224 K CA 0.458 56.671 56.287 -0.123 0.000 1.094 1224 K CB -0.003 32.564 32.500 0.111 0.000 0.841 1224 K HN 0.567 nan 8.250 nan 0.000 0.523 1225 S N 2.364 117.661 115.700 -0.671 0.000 2.572 1225 S HA 0.108 4.578 4.470 -0.001 0.000 0.279 1225 S C -0.217 173.790 174.600 -0.988 0.000 1.341 1225 S CA -0.459 56.835 58.200 -1.510 0.000 1.043 1225 S CB 0.496 63.058 63.200 -1.063 0.000 0.887 1225 S HN 0.301 nan 8.310 nan 0.000 0.516 1226 K N 0.574 120.363 120.400 -1.019 0.000 2.568 1226 K HA 0.410 4.729 4.320 -0.001 0.000 0.273 1226 K C -1.768 174.674 176.600 -0.263 0.000 0.951 1226 K CA -1.008 54.975 56.287 -0.507 0.000 0.854 1226 K CB 0.500 32.782 32.500 -0.363 0.000 1.424 1226 K HN 0.493 nan 8.250 nan 0.000 0.427 1227 Y N 1.298 121.550 120.300 -0.080 0.000 2.379 1227 Y HA 0.389 4.938 4.550 -0.001 0.000 0.337 1227 Y C 0.206 176.102 175.900 -0.006 0.000 1.238 1227 Y CA 0.342 58.395 58.100 -0.079 0.000 1.405 1227 Y CB 0.441 38.842 38.460 -0.099 0.000 1.310 1227 Y HN 0.613 nan 8.280 nan 0.000 0.569 1228 F N -1.228 118.753 119.950 0.051 0.000 2.741 1228 F HA 0.836 5.362 4.527 -0.002 0.000 0.311 1228 F C -1.483 174.335 175.800 0.030 0.000 1.149 1228 F CA -2.041 55.931 58.000 -0.047 0.000 0.930 1228 F CB 0.798 39.672 39.000 -0.209 0.000 1.312 1228 F HN 0.473 nan 8.300 nan 0.000 0.450 1229 A N 1.539 124.459 122.820 0.167 0.000 2.276 1229 A HA 0.635 4.954 4.320 -0.001 0.000 0.316 1229 A C 0.486 178.249 177.584 0.298 0.000 1.229 1229 A CA -0.500 51.597 52.037 0.099 0.000 0.851 1229 A CB 1.023 20.073 19.000 0.084 0.000 1.165 1229 A HN 0.940 nan 8.150 nan 0.000 0.513 1230 V N 3.135 123.185 119.914 0.227 0.000 2.287 1230 V HA 0.008 4.127 4.120 -0.001 0.000 0.248 1230 V C 1.842 178.076 176.094 0.232 0.000 1.053 1230 V CA 2.230 64.718 62.300 0.312 0.000 1.027 1230 V CB -1.883 30.059 31.823 0.197 0.000 0.646 1230 V HN 1.949 nan 8.190 nan 0.000 0.447 1231 G N -0.442 108.454 108.800 0.160 0.000 2.741 1231 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.222 1231 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.222 1231 G C -0.341 174.653 174.900 0.157 0.000 1.364 1231 G CA -0.071 45.118 45.100 0.148 0.000 0.866 1231 G HN 0.459 nan 8.290 nan 0.000 0.555 1232 K N 0.075 120.596 120.400 0.202 0.000 2.326 1232 K HA 0.513 4.832 4.320 -0.001 0.000 0.275 1232 K C 0.797 177.533 176.600 0.227 0.000 1.018 1232 K CA 0.460 56.870 56.287 0.205 0.000 0.962 1232 K CB 0.670 33.338 32.500 0.280 0.000 0.953 1232 K HN 0.686 nan 8.250 nan 0.000 0.475 1233 I N -2.194 118.396 120.570 0.034 0.000 2.846 1233 I HA 0.439 4.608 4.170 -0.001 0.000 0.307 1233 I C -0.338 175.690 176.117 -0.149 0.000 1.053 1233 I CA -0.872 60.422 61.300 -0.011 0.000 1.050 1233 I CB 2.232 40.251 38.000 0.032 0.000 1.239 1233 I HN 0.293 nan 8.210 nan 0.000 0.439 1234 S N 1.713 117.328 115.700 -0.141 0.000 2.693 1234 S HA 0.242 4.711 4.470 -0.001 0.000 0.276 1234 S C 0.777 175.340 174.600 -0.063 0.000 1.192 1234 S CA -0.618 57.493 58.200 -0.148 0.000 0.994 1234 S CB 1.605 64.710 63.200 -0.158 0.000 1.012 1234 S HN 0.741 nan 8.310 nan 0.000 0.550 1235 K N 1.696 121.877 120.400 -0.366 0.000 2.103 1235 K HA -0.174 4.145 4.320 -0.001 0.000 0.207 1235 K C 1.494 177.981 176.600 -0.188 0.000 1.048 1235 K CA 2.046 58.027 56.287 -0.510 0.000 0.930 1235 K CB -0.402 31.609 32.500 -0.816 0.000 0.716 1235 K HN 0.691 nan 8.250 nan 0.000 0.444 1236 D N 0.029 120.349 120.400 -0.133 0.000 2.123 1236 D HA -0.264 4.375 4.640 -0.001 0.000 0.196 1236 D C 1.883 178.179 176.300 -0.007 0.000 0.992 1236 D CA 1.505 55.470 54.000 -0.059 0.000 0.833 1236 D CB -0.573 40.200 40.800 -0.044 0.000 0.954 1236 D HN 0.524 nan 8.370 nan 0.000 0.455 1237 Q N 0.292 120.097 119.800 0.008 0.000 2.123 1237 Q HA -0.071 4.268 4.340 -0.001 0.000 0.199 1237 Q C 2.260 178.313 176.000 0.088 0.000 0.966 1237 Q CA 0.985 56.819 55.803 0.051 0.000 0.845 1237 Q CB 0.106 28.870 28.738 0.044 0.000 0.907 1237 Q HN 0.177 nan 8.270 nan 0.000 0.439 1238 V N 1.341 121.301 119.914 0.077 0.000 2.287 1238 V HA -0.285 3.834 4.120 -0.001 0.000 0.248 1238 V C 1.989 178.160 176.094 0.128 0.000 1.053 1238 V CA 2.279 64.654 62.300 0.124 0.000 1.027 1238 V CB -0.536 31.387 31.823 0.167 0.000 0.646 1238 V HN 0.432 nan 8.190 nan 0.000 0.447 1239 E N -0.288 119.948 120.200 0.062 0.000 2.077 1239 E HA -0.280 4.069 4.350 -0.001 0.000 0.193 1239 E C 1.980 178.616 176.600 0.059 0.000 0.989 1239 E CA 1.627 58.053 56.400 0.043 0.000 0.800 1239 E CB -0.186 29.513 29.700 -0.001 0.000 0.746 1239 E HN 0.691 nan 8.360 nan 0.000 0.452 1240 D N -0.353 120.093 120.400 0.076 0.000 2.117 1240 D HA -0.189 4.450 4.640 -0.001 0.000 0.198 1240 D C 1.778 178.147 176.300 0.115 0.000 0.982 1240 D CA 0.778 54.828 54.000 0.084 0.000 0.828 1240 D CB -0.063 40.790 40.800 0.088 0.000 0.967 1240 D HN 0.108 nan 8.370 nan 0.000 0.464 1241 Y N 0.837 121.145 120.300 0.014 0.000 2.165 1241 Y HA -0.165 4.384 4.550 -0.001 0.000 0.286 1241 Y C 2.153 178.016 175.900 -0.063 0.000 1.155 1241 Y CA 1.775 59.871 58.100 -0.006 0.000 1.164 1241 Y CB -0.666 37.806 38.460 0.020 0.000 0.978 1241 Y HN 0.050 nan 8.280 nan 0.000 0.513 1242 A N 0.066 122.926 122.820 0.067 0.000 1.908 1242 A HA -0.205 4.114 4.320 -0.001 0.000 0.218 1242 A C 2.301 179.827 177.584 -0.097 0.000 1.181 1242 A CA 2.014 54.035 52.037 -0.028 0.000 0.627 1242 A CB -1.185 17.839 19.000 0.040 0.000 0.818 1242 A HN 0.549 nan 8.150 nan 0.000 0.445 1243 L N -1.527 119.664 121.223 -0.053 0.000 2.056 1243 L HA -0.165 4.174 4.340 -0.001 0.000 0.207 1243 L C 2.862 179.682 176.870 -0.084 0.000 1.078 1243 L CA 1.496 56.306 54.840 -0.050 0.000 0.749 1243 L CB -0.383 41.669 42.059 -0.011 0.000 0.901 1243 L HN 0.316 nan 8.230 nan 0.000 0.433 1244 R N 0.001 120.431 120.500 -0.116 0.000 2.075 1244 R HA -0.110 4.229 4.340 -0.001 0.000 0.232 1244 R C 2.064 178.167 176.300 -0.329 0.000 1.126 1244 R CA 1.166 57.200 56.100 -0.110 0.000 0.963 1244 R CB -0.045 30.240 30.300 -0.025 0.000 0.858 1244 R HN 0.239 nan 8.270 nan 0.000 0.435 1245 K N -0.021 119.994 120.400 -0.642 0.000 2.426 1245 K HA 0.015 4.334 4.320 -0.001 0.000 0.193 1245 K C 0.164 176.552 176.600 -0.354 0.000 1.028 1245 K CA 0.086 55.905 56.287 -0.781 0.000 1.047 1245 K CB 0.174 32.095 32.500 -0.964 0.000 0.821 1245 K HN 0.060 nan 8.250 nan 0.000 0.513 1246 N N 1.403 119.970 118.700 -0.222 0.000 2.738 1246 N HA -0.170 4.569 4.740 -0.001 0.000 0.249 1246 N C -0.846 174.601 175.510 -0.104 0.000 1.047 1246 N CA 0.725 53.702 53.050 -0.122 0.000 0.707 1246 N CB -1.485 36.950 38.487 -0.087 0.000 0.937 1246 N HN 0.450 nan 8.380 nan 0.000 0.545 1247 I N -3.566 116.940 120.570 -0.108 0.000 3.108 1247 I HA 0.649 4.818 4.170 -0.001 0.000 0.312 1247 I C 0.608 176.715 176.117 -0.017 0.000 1.095 1247 I CA -1.006 60.262 61.300 -0.053 0.000 1.000 1247 I CB 1.956 39.928 38.000 -0.046 0.000 1.229 1247 I HN 0.153 nan 8.210 nan 0.000 0.454 1248 S N 1.789 117.497 115.700 0.014 0.000 2.593 1248 S HA 0.250 4.719 4.470 -0.001 0.000 0.269 1248 S C 0.982 175.612 174.600 0.050 0.000 1.334 1248 S CA -0.621 57.594 58.200 0.025 0.000 1.015 1248 S CB 1.684 64.900 63.200 0.025 0.000 0.912 1248 S HN 0.543 nan 8.310 nan 0.000 0.541 1249 V N 2.365 122.308 119.914 0.048 0.000 2.332 1249 V HA -0.209 3.910 4.120 -0.001 0.000 0.248 1249 V C 2.991 179.131 176.094 0.078 0.000 1.055 1249 V CA 2.413 64.754 62.300 0.070 0.000 1.038 1249 V CB -1.815 30.040 31.823 0.053 0.000 0.651 1249 V HN 1.039 nan 8.190 nan 0.000 0.450 1250 A N -0.227 122.625 122.820 0.053 0.000 1.940 1250 A HA -0.288 4.031 4.320 -0.001 0.000 0.219 1250 A C 2.192 179.802 177.584 0.042 0.000 1.176 1250 A CA 2.213 54.272 52.037 0.037 0.000 0.631 1250 A CB -0.500 18.510 19.000 0.017 0.000 0.814 1250 A HN 0.576 nan 8.150 nan 0.000 0.446 1251 E N -0.136 120.109 120.200 0.075 0.000 2.047 1251 E HA -0.109 4.240 4.350 -0.001 0.000 0.191 1251 E C 1.863 178.604 176.600 0.235 0.000 0.987 1251 E CA 1.519 58.003 56.400 0.140 0.000 0.799 1251 E CB -0.420 29.374 29.700 0.156 0.000 0.752 1251 E HN 0.239 nan 8.360 nan 0.000 0.449 1252 V N 1.145 121.185 119.914 0.211 0.000 2.332 1252 V HA -0.274 3.845 4.120 -0.001 0.000 0.248 1252 V C 2.115 178.320 176.094 0.185 0.000 1.055 1252 V CA 2.336 64.792 62.300 0.259 0.000 1.038 1252 V CB -0.572 31.406 31.823 0.258 0.000 0.651 1252 V HN 0.329 nan 8.190 nan 0.000 0.450 1253 E N -0.208 120.058 120.200 0.110 0.000 2.204 1253 E HA -0.244 4.105 4.350 -0.001 0.000 0.194 1253 E C 2.243 178.825 176.600 -0.030 0.000 0.989 1253 E CA 1.093 57.518 56.400 0.040 0.000 0.824 1253 E CB -0.122 29.602 29.700 0.040 0.000 0.756 1253 E HN 0.581 nan 8.360 nan 0.000 0.477 1254 K N 0.423 120.780 120.400 -0.072 0.000 2.002 1254 K HA -0.176 4.143 4.320 -0.001 0.000 0.209 1254 K C 1.565 177.983 176.600 -0.302 0.000 1.048 1254 K CA 1.564 57.691 56.287 -0.267 0.000 0.930 1254 K CB -0.113 32.125 32.500 -0.437 0.000 0.714 1254 K HN 0.133 nan 8.250 nan 0.000 0.438 1255 W N 0.549 121.857 121.300 0.013 0.000 2.584 1255 W HA 0.103 4.762 4.660 -0.002 0.000 0.264 1255 W C 1.259 177.794 176.519 0.025 0.000 1.264 1255 W CA 0.085 57.450 57.345 0.032 0.000 1.306 1255 W CB 0.257 29.757 29.460 0.066 0.000 1.110 1255 W HN 0.029 nan 8.180 nan 0.000 0.606 1256 L N 0.059 121.386 121.223 0.173 0.000 2.769 1256 L HA 0.348 4.687 4.340 -0.001 0.000 0.240 1256 L C 2.335 179.200 176.870 -0.007 0.000 1.163 1256 L CA 0.109 54.992 54.840 0.072 0.000 0.962 1256 L CB -0.846 41.228 42.059 0.025 0.000 1.258 1256 L HN 0.052 nan 8.230 nan 0.000 0.513 1257 G N 2.445 111.225 108.800 -0.033 0.000 2.703 1257 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.222 1257 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.222 1257 G C -0.612 174.237 174.900 -0.086 0.000 1.183 1257 G CA 1.134 46.182 45.100 -0.086 0.000 0.775 1257 G HN 0.321 nan 8.290 nan 0.000 0.615 1258 P HA 0.015 nan 4.420 nan 0.000 0.222 1258 P C 1.566 178.844 177.300 -0.036 0.000 1.147 1258 P CA 0.911 63.987 63.100 -0.041 0.000 0.790 1258 P CB -0.134 31.555 31.700 -0.019 0.000 0.780 1259 I N -5.451 115.097 120.570 -0.037 0.000 3.914 1259 I HA 0.203 4.373 4.170 -0.001 0.000 0.333 1259 I C -0.086 175.989 176.117 -0.070 0.000 1.449 1259 I CA -0.332 60.953 61.300 -0.024 0.000 1.135 1259 I CB -0.379 37.624 38.000 0.005 0.000 1.073 1259 I HN -0.290 nan 8.210 nan 0.000 0.401 1260 L N 2.265 123.391 121.223 -0.162 0.000 2.361 1260 L HA 0.333 4.672 4.340 -0.001 0.000 0.278 1260 L C 1.347 178.031 176.870 -0.309 0.000 1.113 1260 L CA -0.127 54.504 54.840 -0.348 0.000 0.849 1260 L CB 1.056 42.740 42.059 -0.625 0.000 1.155 1260 L HN 0.359 nan 8.230 nan 0.000 0.452 1261 G N 3.348 111.992 108.800 -0.261 0.000 3.314 1261 G HA2 0.141 4.100 3.960 -0.001 0.000 0.238 1261 G HA3 0.141 4.100 3.960 -0.001 0.000 0.238 1261 G C -0.111 174.738 174.900 -0.085 0.000 1.184 1261 G CA 0.105 45.079 45.100 -0.210 0.000 0.806 1261 G HN 0.655 nan 8.290 nan 0.000 0.536 1262 Y N -2.637 117.593 120.300 -0.116 0.000 2.655 1262 Y HA 0.679 5.229 4.550 -0.001 0.000 0.336 1262 Y C -0.912 174.968 175.900 -0.035 0.000 1.154 1262 Y CA -2.013 56.047 58.100 -0.067 0.000 1.055 1262 Y CB 0.715 39.120 38.460 -0.092 0.000 1.295 1262 Y HN -0.162 nan 8.280 nan 0.000 0.465 1263 D N 0.000 120.480 120.400 0.133 0.000 6.856 1263 D HA 0.000 4.639 4.640 -0.001 0.000 0.175 1263 D CA 0.000 54.031 54.000 0.051 0.000 0.868 1263 D CB 0.000 40.833 40.800 0.055 0.000 0.688 1263 D HN 0.000 nan 8.370 nan 0.000 0.683