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 2zd2_1_A DATA FIRST_RESID 1005 DATA SEQUENCE SEWKARRFWA SVGIHKEEGG WAVLLDERPL RTPGKQPLRL PTEALALAIA DATA SEQUENCE EEWQAVQEVI DPNAMPLTRS ANSAIEKVAP QFDAVAAMLG DYGGTDLLSY DATA SEQUENCE RADAPEALVR AQAEGWDPLI DWAATELRAP LRITHGVIPV PQDPVVLLKL DATA SEQUENCE RAEVASLDPF GLTALHDLVT LPGSLILGLA VIRGRIDAPT AHALSRIKEE DATA SEQUENCE FQAERWGRDE EAEAQAASRL AAMRDSERFW HLTR 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 1005 S HA 0.000 nan 4.470 nan 0.000 0.327 1005 S C 0.000 174.652 174.600 0.086 0.000 1.055 1005 S CA 0.000 58.236 58.200 0.060 0.000 1.107 1005 S CB 0.000 63.214 63.200 0.024 0.000 0.593 1006 E N 1.866 122.105 120.200 0.066 0.000 2.608 1006 E HA 0.046 4.396 4.350 -0.000 0.000 0.259 1006 E C 0.351 177.089 176.600 0.229 0.000 0.951 1006 E CA 0.235 56.681 56.400 0.076 0.000 0.945 1006 E CB -0.016 29.727 29.700 0.073 0.000 0.916 1006 E HN 0.471 nan 8.360 nan 0.000 0.477 1007 W N 4.102 125.433 121.300 0.050 0.000 2.363 1007 W HA -0.110 4.549 4.660 -0.000 0.000 0.296 1007 W C 1.473 178.046 176.519 0.091 0.000 1.212 1007 W CA 1.084 58.464 57.345 0.058 0.000 1.260 1007 W CB -0.493 28.991 29.460 0.040 0.000 1.131 1007 W HN 0.639 nan 8.180 nan 0.000 0.530 1008 K N -0.190 120.411 120.400 0.334 0.000 2.442 1008 K HA -0.024 4.296 4.320 -0.000 0.000 0.198 1008 K C 1.913 178.681 176.600 0.281 0.000 1.044 1008 K CA 1.119 57.564 56.287 0.265 0.000 0.948 1008 K CB -0.266 32.353 32.500 0.198 0.000 0.762 1008 K HN 0.009 nan 8.250 nan 0.000 0.472 1009 A N 1.156 124.126 122.820 0.251 0.000 2.238 1009 A HA 0.014 4.334 4.320 -0.000 0.000 0.210 1009 A C 0.805 178.531 177.584 0.236 0.000 1.179 1009 A CA -0.192 51.983 52.037 0.230 0.000 0.827 1009 A CB -0.082 19.010 19.000 0.154 0.000 0.856 1009 A HN 0.134 nan 8.150 nan 0.000 0.488 1010 R N 0.884 121.532 120.500 0.247 0.000 2.491 1010 R HA 0.249 4.589 4.340 -0.000 0.000 0.283 1010 R C 0.203 176.608 176.300 0.174 0.000 1.072 1010 R CA -0.526 55.677 56.100 0.172 0.000 1.048 1010 R CB 0.379 30.765 30.300 0.143 0.000 0.983 1010 R HN 0.406 nan 8.270 nan 0.000 0.450 1011 R N 4.090 124.499 120.500 -0.152 0.000 2.389 1011 R HA 0.051 4.391 4.340 -0.000 0.000 0.295 1011 R C -0.443 175.548 176.300 -0.515 0.000 1.075 1011 R CA 0.267 55.875 56.100 -0.820 0.000 1.005 1011 R CB 0.292 29.897 30.300 -1.158 0.000 0.987 1011 R HN 0.721 nan 8.270 nan 0.000 0.452 1012 F N 1.059 120.801 119.950 -0.348 0.000 2.838 1012 F HA 0.439 4.966 4.527 -0.000 0.000 0.329 1012 F C -0.993 174.841 175.800 0.056 0.000 1.116 1012 F CA -1.558 56.404 58.000 -0.064 0.000 1.155 1012 F CB -0.353 38.705 39.000 0.098 0.000 1.106 1012 F HN 0.457 nan 8.300 nan 0.000 0.538 1013 W N 0.473 121.555 121.300 -0.364 0.000 2.516 1013 W HA 0.849 5.508 4.660 -0.000 0.000 0.343 1013 W C 0.455 176.932 176.519 -0.070 0.000 1.094 1013 W CA -0.689 56.540 57.345 -0.193 0.000 1.250 1013 W CB 1.097 30.368 29.460 -0.316 0.000 1.308 1013 W HN -0.048 nan 8.180 nan 0.000 0.588 1014 A N 1.665 124.586 122.820 0.167 0.000 1.887 1014 A HA 0.277 4.597 4.320 -0.000 0.000 0.210 1014 A C 0.942 178.617 177.584 0.152 0.000 1.221 1014 A CA 1.183 53.272 52.037 0.087 0.000 0.635 1014 A CB -0.976 18.070 19.000 0.075 0.000 0.881 1014 A HN 0.703 nan 8.150 nan 0.000 0.456 1015 S N -1.681 114.138 115.700 0.199 0.000 2.677 1015 S HA 0.718 5.188 4.470 -0.000 0.000 0.304 1015 S C -1.031 173.678 174.600 0.182 0.000 1.108 1015 S CA -0.579 57.724 58.200 0.172 0.000 0.944 1015 S CB 1.833 65.092 63.200 0.098 0.000 1.127 1015 S HN 0.518 nan 8.310 nan 0.000 0.511 1016 V N 0.824 120.816 119.914 0.131 0.000 2.569 1016 V HA 0.820 4.940 4.120 -0.000 0.000 0.301 1016 V C 0.503 176.625 176.094 0.047 0.000 1.044 1016 V CA -0.071 62.266 62.300 0.062 0.000 0.874 1016 V CB 1.148 33.033 31.823 0.103 0.000 1.002 1016 V HN 1.293 nan 8.190 nan 0.000 0.424 1017 G N 3.482 112.292 108.800 0.016 0.000 3.015 1017 G HA2 0.925 4.885 3.960 -0.000 0.000 0.281 1017 G HA3 0.925 4.885 3.960 -0.000 0.000 0.281 1017 G C -1.032 173.900 174.900 0.054 0.000 1.386 1017 G CA -0.712 44.413 45.100 0.041 0.000 0.959 1017 G HN 0.941 nan 8.290 nan 0.000 0.522 1018 I N -3.596 117.047 120.570 0.123 0.000 3.206 1018 I HA 0.925 5.094 4.170 -0.000 0.000 0.313 1018 I C -1.067 175.255 176.117 0.342 0.000 1.103 1018 I CA -1.232 60.196 61.300 0.213 0.000 0.985 1018 I CB 2.725 40.869 38.000 0.240 0.000 1.240 1018 I HN 0.582 nan 8.210 nan 0.000 0.464 1019 H N 0.834 120.035 119.070 0.218 0.000 3.121 1019 H HA 0.399 4.955 4.556 -0.000 0.000 0.337 1019 H C -1.194 174.024 175.328 -0.183 0.000 1.198 1019 H CA -0.657 55.413 56.048 0.036 0.000 1.274 1019 H CB 1.584 31.334 29.762 -0.021 0.000 1.954 1019 H HN 0.563 nan 8.280 nan 0.000 0.531 1020 K N 1.460 121.329 120.400 -0.886 0.000 2.185 1020 K HA 0.246 4.566 4.320 -0.000 0.000 0.245 1020 K C -0.063 176.204 176.600 -0.555 0.000 1.035 1020 K CA 0.212 55.862 56.287 -1.061 0.000 0.847 1020 K CB 0.390 32.260 32.500 -1.049 0.000 1.056 1020 K HN 0.773 nan 8.250 nan 0.000 0.518 1021 E N -0.856 119.066 120.200 -0.463 0.000 2.396 1021 E HA 0.053 4.403 4.350 -0.000 0.000 0.280 1021 E C -0.155 176.321 176.600 -0.206 0.000 1.065 1021 E CA -0.258 55.995 56.400 -0.245 0.000 0.831 1021 E CB 0.756 30.369 29.700 -0.146 0.000 1.272 1021 E HN 0.364 nan 8.360 nan 0.000 0.443 1022 E N 1.426 121.545 120.200 -0.135 0.000 2.233 1022 E HA -0.021 4.329 4.350 -0.000 0.000 0.199 1022 E C 0.366 176.910 176.600 -0.093 0.000 1.004 1022 E CA 1.930 58.267 56.400 -0.105 0.000 0.819 1022 E CB -0.078 29.580 29.700 -0.070 0.000 0.738 1022 E HN 0.449 nan 8.360 nan 0.000 0.478 1023 G N -1.198 107.550 108.800 -0.087 0.000 4.142 1023 G HA2 0.548 4.508 3.960 -0.000 0.000 0.310 1023 G HA3 0.548 4.508 3.960 -0.000 0.000 0.310 1023 G C -0.199 174.667 174.900 -0.055 0.000 1.384 1023 G CA -0.069 44.994 45.100 -0.062 0.000 0.838 1023 G HN 0.472 nan 8.290 nan 0.000 0.512 1024 G N 0.004 108.754 108.800 -0.082 0.000 2.592 1024 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.684 1024 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.684 1024 G C -0.470 174.403 174.900 -0.046 0.000 1.291 1024 G CA -0.822 44.270 45.100 -0.014 0.000 0.891 1024 G HN 0.532 nan 8.290 nan 0.000 0.544 1025 W N 0.006 121.245 121.300 -0.101 0.000 2.298 1025 W HA 0.767 5.427 4.660 -0.000 0.000 0.358 1025 W C 0.627 177.116 176.519 -0.050 0.000 1.241 1025 W CA 0.460 57.759 57.345 -0.076 0.000 1.385 1025 W CB 1.530 30.943 29.460 -0.078 0.000 1.225 1025 W HN 1.231 nan 8.180 nan 0.000 0.654 1026 A N 0.528 123.482 122.820 0.224 0.000 2.469 1026 A HA 0.836 5.156 4.320 -0.000 0.000 0.299 1026 A C -1.707 175.941 177.584 0.107 0.000 1.098 1026 A CA -0.759 51.347 52.037 0.114 0.000 0.737 1026 A CB 1.336 20.372 19.000 0.060 0.000 1.312 1026 A HN 0.376 nan 8.150 nan 0.000 0.414 1027 V N 1.627 121.542 119.914 0.002 0.000 2.459 1027 V HA 0.504 4.624 4.120 -0.000 0.000 0.295 1027 V C -0.663 175.343 176.094 -0.146 0.000 1.029 1027 V CA -0.273 61.989 62.300 -0.064 0.000 0.874 1027 V CB 1.280 33.019 31.823 -0.140 0.000 0.985 1027 V HN 0.698 nan 8.190 nan 0.000 0.438 1028 L N 5.622 126.768 121.223 -0.128 0.000 2.333 1028 L HA 0.567 4.907 4.340 -0.000 0.000 0.280 1028 L C -0.602 176.141 176.870 -0.212 0.000 1.004 1028 L CA -0.493 54.253 54.840 -0.157 0.000 0.820 1028 L CB 1.774 43.782 42.059 -0.085 0.000 1.247 1028 L HN 0.403 nan 8.230 nan 0.000 0.416 1029 L N 4.431 125.471 121.223 -0.305 0.000 2.315 1029 L HA 0.314 4.654 4.340 -0.000 0.000 0.278 1029 L C -0.131 176.687 176.870 -0.086 0.000 1.088 1029 L CA -0.042 54.572 54.840 -0.377 0.000 0.899 1029 L CB 0.044 41.659 42.059 -0.740 0.000 1.277 1029 L HN 0.776 nan 8.230 nan 0.000 0.431 1030 D N 1.374 121.774 120.400 0.000 0.000 4.744 1030 D HA -0.230 4.410 4.640 -0.000 0.000 0.141 1030 D C 0.880 177.183 176.300 0.005 0.000 0.668 1030 D CA 1.707 55.739 54.000 0.054 0.000 1.194 1030 D CB -0.179 40.694 40.800 0.122 0.000 0.713 1030 D HN 0.500 nan 8.370 nan 0.000 0.567 1031 E N 0.714 120.921 120.200 0.012 0.000 2.539 1031 E HA 0.169 4.519 4.350 -0.000 0.000 0.215 1031 E C 0.212 176.796 176.600 -0.026 0.000 0.965 1031 E CA 0.112 56.501 56.400 -0.018 0.000 1.019 1031 E CB 0.652 30.349 29.700 -0.007 0.000 1.059 1031 E HN 0.314 nan 8.360 nan 0.000 0.496 1032 R N 2.242 122.733 120.500 -0.014 0.000 2.210 1032 R HA 0.271 4.611 4.340 -0.000 0.000 0.338 1032 R C -2.460 173.781 176.300 -0.097 0.000 1.062 1032 R CA -1.733 54.351 56.100 -0.026 0.000 0.902 1032 R CB 0.428 30.752 30.300 0.041 0.000 1.050 1032 R HN -0.165 nan 8.270 nan 0.000 0.461 1033 P HA -0.055 nan 4.420 nan 0.000 0.268 1033 P C -0.376 176.822 177.300 -0.171 0.000 1.204 1033 P CA 0.067 63.099 63.100 -0.114 0.000 0.768 1033 P CB 0.605 32.267 31.700 -0.064 0.000 0.842 1034 L N 4.489 125.562 121.223 -0.250 0.000 2.367 1034 L HA 0.210 4.550 4.340 -0.000 0.000 0.275 1034 L C 1.115 177.871 176.870 -0.190 0.000 1.129 1034 L CA 0.158 54.790 54.840 -0.346 0.000 0.839 1034 L CB 0.266 42.001 42.059 -0.541 0.000 1.133 1034 L HN 0.363 nan 8.230 nan 0.000 0.453 1035 R N 1.459 121.868 120.500 -0.152 0.000 2.856 1035 R HA 0.407 4.747 4.340 -0.000 0.000 0.258 1035 R C -0.375 175.905 176.300 -0.032 0.000 1.066 1035 R CA -0.775 55.287 56.100 -0.064 0.000 1.045 1035 R CB 1.769 32.048 30.300 -0.035 0.000 1.178 1035 R HN 0.464 nan 8.270 nan 0.000 0.499 1036 T N 0.544 115.102 114.554 0.008 0.000 2.882 1036 T HA 0.142 4.491 4.350 -0.000 0.000 0.287 1036 T C -1.692 173.031 174.700 0.039 0.000 1.014 1036 T CA -1.998 60.123 62.100 0.034 0.000 1.049 1036 T CB 0.742 69.635 68.868 0.041 0.000 1.001 1036 T HN 0.228 nan 8.240 nan 0.000 0.525 1037 P HA -0.025 nan 4.420 nan 0.000 0.217 1037 P C 1.056 178.380 177.300 0.040 0.000 1.148 1037 P CA 0.949 64.082 63.100 0.056 0.000 0.834 1037 P CB -0.080 31.653 31.700 0.054 0.000 0.783 1038 G N -1.203 107.616 108.800 0.032 0.000 3.279 1038 G HA2 -0.052 3.907 3.960 -0.000 0.000 0.230 1038 G HA3 -0.052 3.907 3.960 -0.000 0.000 0.230 1038 G C 0.723 175.638 174.900 0.024 0.000 1.230 1038 G CA 0.293 45.408 45.100 0.026 0.000 0.891 1038 G HN 0.249 nan 8.290 nan 0.000 0.518 1039 K N -1.614 118.801 120.400 0.024 0.000 3.596 1039 K HA -0.240 4.080 4.320 -0.000 0.000 0.295 1039 K C 0.590 177.199 176.600 0.015 0.000 1.230 1039 K CA 1.161 57.458 56.287 0.018 0.000 1.029 1039 K CB -1.229 31.282 32.500 0.018 0.000 1.303 1039 K HN 0.551 nan 8.250 nan 0.000 0.442 1040 Q N 1.964 121.776 119.800 0.020 0.000 2.394 1040 Q HA 0.204 4.544 4.340 -0.000 0.000 0.248 1040 Q C -2.289 173.724 176.000 0.022 0.000 0.992 1040 Q CA -1.491 54.325 55.803 0.023 0.000 0.888 1040 Q CB 0.507 29.264 28.738 0.031 0.000 1.257 1040 Q HN 0.198 nan 8.270 nan 0.000 0.462 1041 P HA -0.044 nan 4.420 nan 0.000 0.268 1041 P C -1.042 176.282 177.300 0.039 0.000 1.204 1041 P CA -0.080 63.031 63.100 0.018 0.000 0.768 1041 P CB 0.554 32.263 31.700 0.016 0.000 0.842 1042 L N 5.412 126.652 121.223 0.029 0.000 2.282 1042 L HA 0.287 4.627 4.340 -0.000 0.000 0.287 1042 L C 0.156 177.072 176.870 0.077 0.000 1.075 1042 L CA 0.018 54.896 54.840 0.064 0.000 0.839 1042 L CB -0.189 41.888 42.059 0.030 0.000 1.219 1042 L HN 0.204 nan 8.230 nan 0.000 0.434 1043 R N 5.940 126.508 120.500 0.113 0.000 2.343 1043 R HA 0.540 4.880 4.340 -0.000 0.000 0.320 1043 R C -1.238 175.109 176.300 0.079 0.000 0.956 1043 R CA -0.621 55.532 56.100 0.087 0.000 0.836 1043 R CB 1.451 31.785 30.300 0.058 0.000 1.151 1043 R HN 0.588 nan 8.270 nan 0.000 0.450 1044 L N 5.036 126.279 121.223 0.034 0.000 2.296 1044 L HA 0.397 4.737 4.340 -0.000 0.000 0.286 1044 L C -1.017 175.726 176.870 -0.213 0.000 1.023 1044 L CA -1.834 52.922 54.840 -0.139 0.000 0.812 1044 L CB 1.840 43.878 42.059 -0.035 0.000 1.223 1044 L HN 0.270 nan 8.230 nan 0.000 0.421 1045 P HA -0.132 nan 4.420 nan 0.000 0.218 1045 P C 0.387 177.570 177.300 -0.195 0.000 1.146 1045 P CA 1.264 64.143 63.100 -0.368 0.000 0.813 1045 P CB -0.035 31.312 31.700 -0.588 0.000 0.778 1046 T N -5.009 109.373 114.554 -0.287 0.000 2.896 1046 T HA 0.295 4.644 4.350 -0.000 0.000 0.297 1046 T C 0.798 175.073 174.700 -0.709 0.000 1.108 1046 T CA -0.812 61.065 62.100 -0.372 0.000 1.004 1046 T CB 2.582 71.249 68.868 -0.334 0.000 1.159 1046 T HN -0.078 nan 8.240 nan 0.000 0.499 1047 E N 0.804 120.338 120.200 -1.110 0.000 2.152 1047 E HA -0.028 4.322 4.350 -0.000 0.000 0.192 1047 E C 2.157 178.343 176.600 -0.689 0.000 0.983 1047 E CA 1.022 56.532 56.400 -1.483 0.000 0.818 1047 E CB -0.424 28.259 29.700 -1.696 0.000 0.758 1047 E HN 0.775 nan 8.360 nan 0.000 0.467 1048 A N 1.365 123.902 122.820 -0.470 0.000 1.883 1048 A HA -0.195 4.124 4.320 -0.000 0.000 0.217 1048 A C 2.154 179.602 177.584 -0.226 0.000 1.186 1048 A CA 1.520 53.386 52.037 -0.286 0.000 0.624 1048 A CB -0.716 18.150 19.000 -0.223 0.000 0.822 1048 A HN 0.404 nan 8.150 nan 0.000 0.444 1049 L N -0.511 120.563 121.223 -0.247 0.000 2.072 1049 L HA 0.044 4.384 4.340 -0.000 0.000 0.205 1049 L C 2.690 179.502 176.870 -0.097 0.000 1.079 1049 L CA 2.036 56.783 54.840 -0.155 0.000 0.752 1049 L CB -0.861 41.081 42.059 -0.196 0.000 0.906 1049 L HN 0.353 nan 8.230 nan 0.000 0.436 1050 A N -0.193 122.524 122.820 -0.172 0.000 1.873 1050 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 1050 A C 2.285 179.835 177.584 -0.056 0.000 1.193 1050 A CA 2.267 54.250 52.037 -0.091 0.000 0.629 1050 A CB -1.093 17.827 19.000 -0.133 0.000 0.826 1050 A HN 0.488 nan 8.150 nan 0.000 0.447 1051 L N -1.064 120.086 121.223 -0.122 0.000 2.131 1051 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 1051 L C 3.069 179.935 176.870 -0.005 0.000 1.092 1051 L CA 1.079 55.884 54.840 -0.060 0.000 0.759 1051 L CB -0.580 41.421 42.059 -0.096 0.000 0.903 1051 L HN 0.505 nan 8.230 nan 0.000 0.435 1052 A N 0.096 122.911 122.820 -0.009 0.000 1.929 1052 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 1052 A C 2.171 179.811 177.584 0.092 0.000 1.176 1052 A CA 1.153 53.211 52.037 0.036 0.000 0.628 1052 A CB -0.460 18.559 19.000 0.032 0.000 0.816 1052 A HN 0.329 nan 8.150 nan 0.000 0.444 1053 I N -0.271 120.370 120.570 0.119 0.000 2.315 1053 I HA -0.245 3.925 4.170 -0.000 0.000 0.248 1053 I C 2.915 179.202 176.117 0.283 0.000 1.117 1053 I CA 0.890 62.321 61.300 0.217 0.000 1.404 1053 I CB -0.239 37.894 38.000 0.223 0.000 1.071 1053 I HN 0.363 nan 8.210 nan 0.000 0.419 1054 A N 0.490 123.413 122.820 0.172 0.000 1.933 1054 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 1054 A C 2.162 179.858 177.584 0.188 0.000 1.175 1054 A CA 1.625 53.764 52.037 0.169 0.000 0.628 1054 A CB -0.527 18.524 19.000 0.085 0.000 0.814 1054 A HN 0.452 nan 8.150 nan 0.000 0.444 1055 E N -0.282 119.996 120.200 0.131 0.000 2.110 1055 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 1055 E C 1.940 178.602 176.600 0.104 0.000 0.988 1055 E CA 1.219 57.681 56.400 0.104 0.000 0.804 1055 E CB -0.168 29.571 29.700 0.065 0.000 0.745 1055 E HN 0.738 nan 8.360 nan 0.000 0.458 1056 E N -0.077 120.184 120.200 0.103 0.000 2.077 1056 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 1056 E C 1.697 178.255 176.600 -0.069 0.000 0.989 1056 E CA 0.992 57.388 56.400 -0.007 0.000 0.800 1056 E CB -0.118 29.549 29.700 -0.054 0.000 0.746 1056 E HN 0.372 nan 8.360 nan 0.000 0.452 1057 W N 0.922 122.266 121.300 0.074 0.000 2.467 1057 W HA -0.081 4.579 4.660 0.000 0.000 0.275 1057 W C 2.431 179.131 176.519 0.302 0.000 1.239 1057 W CA 0.530 57.955 57.345 0.133 0.000 1.266 1057 W CB -0.064 29.343 29.460 -0.089 0.000 1.112 1057 W HN 0.100 nan 8.180 nan 0.000 0.576 1058 Q N 0.683 120.694 119.800 0.351 0.000 2.311 1058 Q HA 0.028 4.367 4.340 -0.000 0.000 0.203 1058 Q C 2.027 178.127 176.000 0.167 0.000 0.954 1058 Q CA 1.679 57.653 55.803 0.286 0.000 0.885 1058 Q CB -0.403 28.446 28.738 0.184 0.000 0.963 1058 Q HN 0.125 nan 8.270 nan 0.000 0.471 1059 A N -0.584 122.302 122.820 0.110 0.000 2.169 1059 A HA 0.174 4.494 4.320 -0.000 0.000 0.212 1059 A C 0.497 178.085 177.584 0.006 0.000 1.153 1059 A CA 0.010 52.069 52.037 0.037 0.000 0.756 1059 A CB -0.053 18.953 19.000 0.009 0.000 0.813 1059 A HN 0.143 nan 8.150 nan 0.000 0.471 1060 V N 1.725 121.658 119.914 0.032 0.000 2.673 1060 V HA -0.041 4.079 4.120 -0.000 0.000 0.303 1060 V C 0.950 176.998 176.094 -0.077 0.000 1.046 1060 V CA 0.134 62.422 62.300 -0.021 0.000 1.126 1060 V CB 0.661 32.526 31.823 0.070 0.000 0.934 1060 V HN 0.581 nan 8.190 nan 0.000 0.487 1061 Q N 3.618 123.368 119.800 -0.083 0.000 2.461 1061 Q HA 0.066 4.406 4.340 -0.000 0.000 0.519 1061 Q C 1.915 177.838 176.000 -0.129 0.000 1.052 1061 Q CA 0.433 56.181 55.803 -0.092 0.000 0.623 1061 Q CB -0.311 28.392 28.738 -0.059 0.000 4.186 1061 Q HN 0.889 nan 8.270 nan 0.000 0.313 1062 E N 0.697 120.843 120.200 -0.089 0.000 2.051 1062 E HA 0.001 4.351 4.350 -0.000 0.000 0.189 1062 E C 0.801 177.359 176.600 -0.070 0.000 0.979 1062 E CA 0.610 56.960 56.400 -0.085 0.000 0.803 1062 E CB -0.327 29.348 29.700 -0.043 0.000 0.761 1062 E HN 0.132 nan 8.360 nan 0.000 0.451 1063 V N 1.359 121.253 119.914 -0.033 0.000 2.680 1063 V HA 0.389 4.509 4.120 -0.000 0.000 0.309 1063 V C -0.289 175.808 176.094 0.004 0.000 1.052 1063 V CA -1.062 61.243 62.300 0.009 0.000 0.908 1063 V CB 1.597 33.441 31.823 0.034 0.000 1.001 1063 V HN 0.154 nan 8.190 nan 0.000 0.431 1064 I N 5.032 125.630 120.570 0.047 0.000 2.618 1064 I HA 0.199 4.369 4.170 -0.000 0.000 0.284 1064 I C -0.225 175.876 176.117 -0.026 0.000 1.146 1064 I CA 0.507 61.810 61.300 0.004 0.000 1.425 1064 I CB 0.508 38.547 38.000 0.064 0.000 1.383 1064 I HN 0.652 nan 8.210 nan 0.000 0.562 1065 D N 9.129 129.482 120.400 -0.078 0.000 2.462 1065 D HA 0.259 4.899 4.640 -0.000 0.000 0.245 1065 D C -1.590 174.656 176.300 -0.091 0.000 1.122 1065 D CA -2.340 51.623 54.000 -0.062 0.000 0.864 1065 D CB 1.692 42.460 40.800 -0.054 0.000 1.098 1065 D HN 0.161 nan 8.370 nan 0.000 0.541 1066 P HA -0.137 nan 4.420 nan 0.000 0.219 1066 P C 0.751 178.014 177.300 -0.062 0.000 1.146 1066 P CA 0.697 63.758 63.100 -0.066 0.000 0.808 1066 P CB 0.455 32.141 31.700 -0.023 0.000 0.779 1067 N N 0.646 119.316 118.700 -0.049 0.000 2.289 1067 N HA -0.092 4.647 4.740 -0.000 0.000 0.184 1067 N C 1.660 177.140 175.510 -0.050 0.000 1.016 1067 N CA 1.355 54.380 53.050 -0.043 0.000 0.872 1067 N CB -0.393 38.074 38.487 -0.032 0.000 0.973 1067 N HN 0.191 nan 8.380 nan 0.000 0.433 1068 A N 0.226 123.006 122.820 -0.066 0.000 2.251 1068 A HA 0.194 4.514 4.320 -0.000 0.000 0.209 1068 A C 0.998 178.530 177.584 -0.087 0.000 1.187 1068 A CA 0.117 52.112 52.037 -0.069 0.000 0.823 1068 A CB -0.060 18.894 19.000 -0.077 0.000 0.846 1068 A HN 0.150 nan 8.150 nan 0.000 0.486 1069 M N 0.656 120.198 119.600 -0.097 0.000 2.944 1069 M HA 0.203 4.683 4.480 -0.000 0.000 0.235 1069 M C -1.975 174.303 176.300 -0.037 0.000 1.188 1069 M CA -1.478 53.763 55.300 -0.098 0.000 0.688 1069 M CB 1.448 33.923 32.600 -0.208 0.000 1.406 1069 M HN 0.024 nan 8.290 nan 0.000 0.479 1070 P HA -0.159 nan 4.420 nan 0.000 0.216 1070 P C 1.223 178.518 177.300 -0.008 0.000 1.150 1070 P CA 1.394 64.480 63.100 -0.023 0.000 0.837 1070 P CB 0.306 31.998 31.700 -0.012 0.000 0.786 1071 L N -0.722 120.546 121.223 0.075 0.000 2.056 1071 L HA -0.107 4.233 4.340 -0.000 0.000 0.207 1071 L C 2.696 179.678 176.870 0.186 0.000 1.078 1071 L CA 1.920 56.875 54.840 0.191 0.000 0.749 1071 L CB -1.758 40.452 42.059 0.252 0.000 0.901 1071 L HN 0.006 nan 8.230 nan 0.000 0.433 1072 T N -0.722 113.935 114.554 0.172 0.000 2.708 1072 T HA -0.240 4.110 4.350 -0.000 0.000 0.266 1072 T C 2.007 176.774 174.700 0.111 0.000 1.037 1072 T CA 1.438 63.671 62.100 0.222 0.000 1.146 1072 T CB -0.234 68.824 68.868 0.318 0.000 0.865 1072 T HN 0.254 nan 8.240 nan 0.000 0.435 1073 R N 0.802 121.318 120.500 0.026 0.000 2.091 1073 R HA -0.091 4.249 4.340 -0.000 0.000 0.238 1073 R C 2.530 178.743 176.300 -0.144 0.000 1.136 1073 R CA 1.743 57.816 56.100 -0.044 0.000 0.959 1073 R CB -0.309 29.952 30.300 -0.065 0.000 0.856 1073 R HN 0.233 nan 8.270 nan 0.000 0.437 1074 S N 0.079 115.610 115.700 -0.281 0.000 2.406 1074 S HA -0.036 4.434 4.470 -0.000 0.000 0.228 1074 S C 1.858 176.180 174.600 -0.463 0.000 1.020 1074 S CA 0.878 58.712 58.200 -0.611 0.000 0.965 1074 S CB 0.033 62.427 63.200 -1.344 0.000 0.798 1074 S HN 0.557 nan 8.310 nan 0.000 0.488 1075 A N 2.732 125.510 122.820 -0.070 0.000 1.898 1075 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 1075 A C 1.923 179.525 177.584 0.029 0.000 1.181 1075 A CA 1.425 53.592 52.037 0.216 0.000 0.620 1075 A CB -0.616 18.633 19.000 0.415 0.000 0.819 1075 A HN 0.424 nan 8.150 nan 0.000 0.442 1076 N N 0.542 119.251 118.700 0.014 0.000 2.120 1076 N HA -0.103 4.637 4.740 -0.000 0.000 0.188 1076 N C 1.953 177.421 175.510 -0.069 0.000 1.024 1076 N CA 1.663 54.714 53.050 0.000 0.000 0.852 1076 N CB -0.531 37.967 38.487 0.018 0.000 1.003 1076 N HN 0.454 nan 8.380 nan 0.000 0.424 1077 S N 0.926 116.545 115.700 -0.136 0.000 2.368 1077 S HA -0.056 4.414 4.470 -0.000 0.000 0.225 1077 S C 2.122 176.606 174.600 -0.193 0.000 1.030 1077 S CA 1.093 59.192 58.200 -0.169 0.000 0.999 1077 S CB -0.330 62.730 63.200 -0.234 0.000 0.844 1077 S HN 0.506 nan 8.310 nan 0.000 0.459 1078 A N 1.511 124.151 122.820 -0.299 0.000 1.877 1078 A HA -0.029 4.291 4.320 -0.000 0.000 0.216 1078 A C 2.103 179.527 177.584 -0.267 0.000 1.186 1078 A CA 1.219 52.996 52.037 -0.433 0.000 0.620 1078 A CB -0.679 17.656 19.000 -1.109 0.000 0.822 1078 A HN 0.478 nan 8.150 nan 0.000 0.443 1079 I N -0.718 119.752 120.570 -0.167 0.000 2.233 1079 I HA -0.209 3.961 4.170 -0.000 0.000 0.243 1079 I C 2.497 178.622 176.117 0.014 0.000 1.093 1079 I CA 1.559 62.867 61.300 0.013 0.000 1.380 1079 I CB -0.387 37.667 38.000 0.090 0.000 1.067 1079 I HN 0.421 nan 8.210 nan 0.000 0.413 1080 E N 0.652 120.845 120.200 -0.012 0.000 2.122 1080 E HA -0.126 4.223 4.350 -0.000 0.000 0.190 1080 E C 1.862 178.456 176.600 -0.010 0.000 0.977 1080 E CA 0.918 57.315 56.400 -0.004 0.000 0.820 1080 E CB 0.198 29.893 29.700 -0.007 0.000 0.770 1080 E HN 0.392 nan 8.360 nan 0.000 0.462 1081 K N -0.282 120.097 120.400 -0.035 0.000 2.344 1081 K HA 0.090 4.410 4.320 -0.000 0.000 0.200 1081 K C 1.916 178.506 176.600 -0.017 0.000 1.132 1081 K CA 0.211 56.480 56.287 -0.030 0.000 0.935 1081 K CB 0.077 32.543 32.500 -0.057 0.000 1.089 1081 K HN -0.133 nan 8.250 nan 0.000 0.496 1082 V N 1.506 121.395 119.914 -0.041 0.000 2.323 1082 V HA -0.105 4.015 4.120 -0.000 0.000 0.244 1082 V C 2.260 178.408 176.094 0.090 0.000 1.041 1082 V CA 1.978 64.271 62.300 -0.013 0.000 1.025 1082 V CB -0.756 31.029 31.823 -0.063 0.000 0.656 1082 V HN 0.317 nan 8.190 nan 0.000 0.451 1083 A N 1.424 124.300 122.820 0.094 0.000 1.877 1083 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 1083 A C 0.935 178.617 177.584 0.163 0.000 1.186 1083 A CA 2.075 54.218 52.037 0.177 0.000 0.620 1083 A CB -1.945 17.142 19.000 0.145 0.000 0.822 1083 A HN 0.592 nan 8.150 nan 0.000 0.443 1084 P HA -0.121 nan 4.420 nan 0.000 0.223 1084 P C 0.369 177.727 177.300 0.097 0.000 1.151 1084 P CA 1.090 64.241 63.100 0.085 0.000 0.787 1084 P CB -0.040 31.693 31.700 0.055 0.000 0.788 1085 Q N -2.013 117.853 119.800 0.109 0.000 2.135 1085 Q HA 0.188 4.528 4.340 -0.000 0.000 0.231 1085 Q C 1.121 177.212 176.000 0.151 0.000 0.817 1085 Q CA -0.551 55.315 55.803 0.105 0.000 1.073 1085 Q CB -0.181 28.592 28.738 0.058 0.000 1.176 1085 Q HN 0.072 nan 8.270 nan 0.000 0.478 1086 F N 2.624 122.597 119.950 0.037 0.000 2.063 1086 F HA -0.385 4.142 4.527 -0.000 0.000 0.297 1086 F C 1.525 177.354 175.800 0.048 0.000 1.099 1086 F CA 2.134 60.163 58.000 0.048 0.000 1.220 1086 F CB 0.270 39.302 39.000 0.054 0.000 0.972 1086 F HN 0.173 nan 8.300 nan 0.000 0.487 1087 D N 0.347 120.988 120.400 0.403 0.000 2.104 1087 D HA -0.207 4.433 4.640 -0.000 0.000 0.194 1087 D C 2.322 178.692 176.300 0.116 0.000 0.994 1087 D CA 1.598 55.756 54.000 0.264 0.000 0.830 1087 D CB -0.717 40.195 40.800 0.187 0.000 0.959 1087 D HN 0.445 nan 8.370 nan 0.000 0.452 1088 A N 0.650 123.522 122.820 0.086 0.000 1.969 1088 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 1088 A C 2.541 180.139 177.584 0.023 0.000 1.169 1088 A CA 0.915 52.982 52.037 0.050 0.000 0.635 1088 A CB -0.478 18.551 19.000 0.048 0.000 0.810 1088 A HN 0.144 nan 8.150 nan 0.000 0.445 1089 V N -0.272 119.638 119.914 -0.007 0.000 2.379 1089 V HA -0.157 3.962 4.120 -0.000 0.000 0.245 1089 V C 3.015 179.055 176.094 -0.090 0.000 1.044 1089 V CA 1.668 63.946 62.300 -0.038 0.000 1.036 1089 V CB -1.187 30.596 31.823 -0.067 0.000 0.664 1089 V HN 0.568 nan 8.190 nan 0.000 0.453 1090 A N 0.148 122.857 122.820 -0.185 0.000 1.972 1090 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 1090 A C 2.392 179.950 177.584 -0.043 0.000 1.169 1090 A CA 2.072 54.002 52.037 -0.177 0.000 0.635 1090 A CB -0.653 18.221 19.000 -0.211 0.000 0.810 1090 A HN 0.557 nan 8.150 nan 0.000 0.446 1091 A N -0.829 121.990 122.820 -0.002 0.000 1.873 1091 A HA -0.086 4.234 4.320 -0.000 0.000 0.215 1091 A C 2.211 179.814 177.584 0.031 0.000 1.186 1091 A CA 1.847 53.899 52.037 0.025 0.000 0.616 1091 A CB -0.506 18.514 19.000 0.034 0.000 0.823 1091 A HN 0.506 nan 8.150 nan 0.000 0.442 1092 M N -0.075 119.545 119.600 0.033 0.000 2.159 1092 M HA -0.076 4.404 4.480 -0.000 0.000 0.263 1092 M C 1.888 178.262 176.300 0.123 0.000 1.063 1092 M CA 1.667 57.005 55.300 0.064 0.000 1.110 1092 M CB -0.800 31.838 32.600 0.063 0.000 1.374 1092 M HN 0.431 nan 8.290 nan 0.000 0.411 1093 L N -0.684 120.567 121.223 0.046 0.000 2.044 1093 L HA -0.060 4.280 4.340 -0.000 0.000 0.205 1093 L C 2.650 179.574 176.870 0.091 0.000 1.075 1093 L CA 1.197 56.042 54.840 0.008 0.000 0.747 1093 L CB -1.548 40.441 42.059 -0.117 0.000 0.903 1093 L HN 0.387 nan 8.230 nan 0.000 0.435 1094 G N -0.141 108.688 108.800 0.048 0.000 2.475 1094 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.220 1094 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.220 1094 G C 1.107 176.055 174.900 0.080 0.000 1.125 1094 G CA 0.897 46.028 45.100 0.051 0.000 0.755 1094 G HN 0.338 nan 8.290 nan 0.000 0.565 1095 D N -0.094 120.359 120.400 0.088 0.000 2.221 1095 D HA -0.117 4.522 4.640 -0.000 0.000 0.204 1095 D C 1.755 178.065 176.300 0.017 0.000 0.982 1095 D CA 0.697 54.716 54.000 0.032 0.000 0.857 1095 D CB -0.236 40.552 40.800 -0.021 0.000 0.934 1095 D HN 0.453 nan 8.370 nan 0.000 0.475 1096 Y N 1.031 121.306 120.300 -0.041 0.000 2.574 1096 Y HA -0.013 4.536 4.550 -0.000 0.000 0.294 1096 Y C 2.527 178.410 175.900 -0.028 0.000 1.142 1096 Y CA 0.769 58.844 58.100 -0.041 0.000 1.314 1096 Y CB -0.476 37.946 38.460 -0.064 0.000 0.991 1096 Y HN -0.013 nan 8.280 nan 0.000 0.555 1097 G N -0.737 108.127 108.800 0.106 0.000 2.448 1097 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.219 1097 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.219 1097 G C 1.891 176.808 174.900 0.028 0.000 1.127 1097 G CA 0.864 45.994 45.100 0.050 0.000 0.766 1097 G HN 0.496 nan 8.290 nan 0.000 0.552 1098 G N -0.581 108.230 108.800 0.019 0.000 3.042 1098 G HA2 0.269 4.229 3.960 -0.000 0.000 0.212 1098 G HA3 0.269 4.229 3.960 -0.000 0.000 0.212 1098 G C 0.987 175.917 174.900 0.051 0.000 1.166 1098 G CA 1.222 46.332 45.100 0.016 0.000 0.767 1098 G HN 0.648 nan 8.290 nan 0.000 0.546 1099 T N -2.922 111.661 114.554 0.048 0.000 3.672 1099 T HA 0.206 4.556 4.350 -0.000 0.000 0.296 1099 T C -0.684 174.098 174.700 0.136 0.000 0.979 1099 T CA -0.549 61.608 62.100 0.096 0.000 1.013 1099 T CB 0.543 69.342 68.868 -0.116 0.000 1.184 1099 T HN -0.035 nan 8.240 nan 0.000 0.477 1100 D N 1.472 121.963 120.400 0.151 0.000 2.390 1100 D HA 0.075 4.715 4.640 -0.000 0.000 0.249 1100 D C 1.290 177.644 176.300 0.089 0.000 1.144 1100 D CA -0.365 53.689 54.000 0.091 0.000 0.880 1100 D CB 1.490 42.297 40.800 0.011 0.000 1.182 1100 D HN 0.230 nan 8.370 nan 0.000 0.451 1101 L N 5.351 126.565 121.223 -0.016 0.000 2.043 1101 L HA -0.223 4.117 4.340 -0.000 0.000 0.212 1101 L C 2.041 178.666 176.870 -0.408 0.000 1.075 1101 L CA 1.686 56.450 54.840 -0.127 0.000 0.752 1101 L CB -0.201 41.719 42.059 -0.231 0.000 0.891 1101 L HN 0.578 nan 8.230 nan 0.000 0.432 1102 L N -0.789 120.089 121.223 -0.574 0.000 2.456 1102 L HA -0.066 4.273 4.340 -0.000 0.000 0.224 1102 L C 2.217 178.912 176.870 -0.291 0.000 1.148 1102 L CA 1.075 55.459 54.840 -0.760 0.000 0.825 1102 L CB -0.905 40.805 42.059 -0.582 0.000 0.937 1102 L HN 0.534 nan 8.230 nan 0.000 0.450 1103 S N -2.023 113.542 115.700 -0.226 0.000 2.575 1103 S HA 0.016 4.486 4.470 -0.000 0.000 0.215 1103 S C 0.231 174.524 174.600 -0.511 0.000 0.966 1103 S CA -0.279 57.729 58.200 -0.319 0.000 0.911 1103 S CB -0.160 62.807 63.200 -0.388 0.000 0.780 1103 S HN 0.286 nan 8.310 nan 0.000 0.514 1104 Y N 2.598 122.878 120.300 -0.034 0.000 2.464 1104 Y HA 0.584 5.134 4.550 -0.000 0.000 0.326 1104 Y C 0.298 176.249 175.900 0.085 0.000 0.969 1104 Y CA -1.096 57.007 58.100 0.004 0.000 1.270 1104 Y CB 0.794 39.260 38.460 0.009 0.000 1.103 1104 Y HN -0.011 nan 8.280 nan 0.000 0.491 1105 R N 1.613 122.129 120.500 0.027 0.000 2.536 1105 R HA 0.719 5.058 4.340 -0.000 0.000 0.279 1105 R C 0.066 176.384 176.300 0.030 0.000 1.001 1105 R CA -0.934 55.157 56.100 -0.015 0.000 1.027 1105 R CB 1.061 31.149 30.300 -0.354 0.000 1.096 1105 R HN 0.703 nan 8.270 nan 0.000 0.502 1106 A N 0.989 123.822 122.820 0.022 0.000 2.346 1106 A HA 0.090 4.409 4.320 -0.000 0.000 0.252 1106 A C 0.474 178.096 177.584 0.064 0.000 1.089 1106 A CA -0.098 51.960 52.037 0.034 0.000 0.797 1106 A CB 0.228 19.209 19.000 -0.031 0.000 1.047 1106 A HN 0.674 nan 8.150 nan 0.000 0.494 1107 D N -0.567 119.875 120.400 0.070 0.000 2.301 1107 D HA 0.390 5.029 4.640 -0.000 0.000 0.206 1107 D C 0.474 176.802 176.300 0.047 0.000 0.979 1107 D CA 1.664 55.711 54.000 0.078 0.000 0.874 1107 D CB 0.541 41.384 40.800 0.072 0.000 0.968 1107 D HN 0.771 nan 8.370 nan 0.000 0.510 1108 A N 0.400 123.240 122.820 0.033 0.000 2.586 1108 A HA 0.535 4.855 4.320 -0.000 0.000 0.291 1108 A C -2.684 174.921 177.584 0.035 0.000 1.062 1108 A CA -0.950 51.105 52.037 0.030 0.000 0.666 1108 A CB 1.064 20.102 19.000 0.063 0.000 1.281 1108 A HN -0.176 nan 8.150 nan 0.000 0.421 1109 P HA 0.339 nan 4.420 nan 0.000 0.279 1109 P C 0.404 177.679 177.300 -0.042 0.000 1.276 1109 P CA -0.082 63.052 63.100 0.056 0.000 0.801 1109 P CB 1.016 32.810 31.700 0.157 0.000 1.127 1110 E N 1.061 121.254 120.200 -0.011 0.000 2.097 1110 E HA -0.216 4.134 4.350 -0.000 0.000 0.196 1110 E C 1.922 178.472 176.600 -0.083 0.000 1.000 1110 E CA 2.205 58.582 56.400 -0.037 0.000 0.804 1110 E CB -1.157 28.538 29.700 -0.008 0.000 0.740 1110 E HN 0.468 nan 8.360 nan 0.000 0.454 1111 A N 0.220 123.011 122.820 -0.048 0.000 1.978 1111 A HA -0.142 4.178 4.320 -0.000 0.000 0.220 1111 A C 2.160 179.555 177.584 -0.315 0.000 1.170 1111 A CA 1.547 53.563 52.037 -0.036 0.000 0.636 1111 A CB -0.699 18.418 19.000 0.196 0.000 0.810 1111 A HN 0.408 nan 8.150 nan 0.000 0.448 1112 L N -0.220 120.575 121.223 -0.713 0.000 2.072 1112 L HA -0.040 4.300 4.340 -0.000 0.000 0.205 1112 L C 2.307 178.865 176.870 -0.520 0.000 1.079 1112 L CA 1.800 55.985 54.840 -1.092 0.000 0.752 1112 L CB -0.618 40.732 42.059 -1.181 0.000 0.906 1112 L HN 0.122 nan 8.230 nan 0.000 0.436 1113 V N 0.342 120.070 119.914 -0.310 0.000 2.392 1113 V HA -0.278 3.842 4.120 -0.000 0.000 0.249 1113 V C 2.810 178.805 176.094 -0.164 0.000 1.059 1113 V CA 2.139 64.334 62.300 -0.175 0.000 1.051 1113 V CB -0.899 30.893 31.823 -0.051 0.000 0.658 1113 V HN 0.535 nan 8.190 nan 0.000 0.455 1114 R N 0.112 120.520 120.500 -0.154 0.000 2.092 1114 R HA -0.101 4.239 4.340 -0.000 0.000 0.231 1114 R C 2.317 178.521 176.300 -0.159 0.000 1.119 1114 R CA 1.399 57.430 56.100 -0.115 0.000 0.970 1114 R CB -0.355 29.899 30.300 -0.076 0.000 0.864 1114 R HN 0.484 nan 8.270 nan 0.000 0.440 1115 A N 0.979 123.666 122.820 -0.221 0.000 1.877 1115 A HA -0.219 4.101 4.320 -0.000 0.000 0.216 1115 A C 2.058 179.419 177.584 -0.372 0.000 1.186 1115 A CA 1.446 53.339 52.037 -0.241 0.000 0.620 1115 A CB -0.510 18.347 19.000 -0.237 0.000 0.822 1115 A HN 0.476 nan 8.150 nan 0.000 0.443 1116 Q N -0.699 118.790 119.800 -0.518 0.000 2.084 1116 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 1116 Q C 2.456 178.175 176.000 -0.468 0.000 0.978 1116 Q CA 1.387 56.676 55.803 -0.857 0.000 0.844 1116 Q CB -0.413 27.809 28.738 -0.861 0.000 0.898 1116 Q HN 0.688 nan 8.270 nan 0.000 0.426 1117 A N 1.455 124.145 122.820 -0.216 0.000 1.877 1117 A HA -0.251 4.069 4.320 -0.000 0.000 0.216 1117 A C 1.849 179.411 177.584 -0.036 0.000 1.186 1117 A CA 1.680 53.684 52.037 -0.055 0.000 0.620 1117 A CB -0.454 18.534 19.000 -0.020 0.000 0.822 1117 A HN 0.357 nan 8.150 nan 0.000 0.443 1118 E N -0.869 119.282 120.200 -0.083 0.000 2.072 1118 E HA -0.091 4.258 4.350 -0.000 0.000 0.191 1118 E C 2.105 178.688 176.600 -0.028 0.000 0.985 1118 E CA 0.841 57.213 56.400 -0.047 0.000 0.801 1118 E CB -0.309 29.355 29.700 -0.060 0.000 0.750 1118 E HN 0.611 nan 8.360 nan 0.000 0.452 1119 G N 0.229 108.975 108.800 -0.091 0.000 2.411 1119 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.213 1119 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.213 1119 G C 0.868 175.898 174.900 0.217 0.000 1.166 1119 G CA 0.174 45.270 45.100 -0.005 0.000 0.802 1119 G HN 0.173 nan 8.290 nan 0.000 0.533 1120 W N 1.300 122.593 121.300 -0.012 0.000 2.539 1120 W HA 0.223 4.883 4.660 -0.000 0.000 0.281 1120 W C 1.829 178.353 176.519 0.009 0.000 1.220 1120 W CA 0.067 57.409 57.345 -0.006 0.000 1.332 1120 W CB -0.822 28.629 29.460 -0.016 0.000 1.095 1120 W HN 0.151 nan 8.180 nan 0.000 0.571 1121 D N 0.219 120.758 120.400 0.231 0.000 2.158 1121 D HA -0.179 4.461 4.640 -0.000 0.000 0.197 1121 D C -0.666 175.711 176.300 0.129 0.000 0.995 1121 D CA 1.683 55.770 54.000 0.146 0.000 0.846 1121 D CB -1.730 39.129 40.800 0.099 0.000 0.941 1121 D HN 0.126 nan 8.370 nan 0.000 0.456 1122 P HA -0.063 nan 4.420 nan 0.000 0.218 1122 P C 1.533 178.928 177.300 0.158 0.000 1.149 1122 P CA 0.585 63.756 63.100 0.118 0.000 0.817 1122 P CB 0.162 31.916 31.700 0.089 0.000 0.785 1123 L N -1.244 120.072 121.223 0.155 0.000 2.179 1123 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 1123 L C 2.152 179.158 176.870 0.228 0.000 1.096 1123 L CA 1.437 56.387 54.840 0.183 0.000 0.779 1123 L CB -1.252 40.858 42.059 0.085 0.000 0.922 1123 L HN 0.015 nan 8.230 nan 0.000 0.443 1124 I N 0.118 120.775 120.570 0.145 0.000 2.252 1124 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 1124 I C 2.218 178.392 176.117 0.096 0.000 1.102 1124 I CA 1.149 62.507 61.300 0.095 0.000 1.385 1124 I CB -0.901 37.137 38.000 0.063 0.000 1.064 1124 I HN 0.256 nan 8.210 nan 0.000 0.414 1125 D N -0.338 120.130 120.400 0.115 0.000 2.123 1125 D HA -0.259 4.381 4.640 -0.000 0.000 0.196 1125 D C 1.943 178.309 176.300 0.110 0.000 0.992 1125 D CA 1.171 55.228 54.000 0.094 0.000 0.833 1125 D CB -0.356 40.504 40.800 0.101 0.000 0.954 1125 D HN 0.492 nan 8.370 nan 0.000 0.455 1126 W N 2.015 123.316 121.300 0.003 0.000 2.358 1126 W HA -0.094 4.566 4.660 -0.000 0.000 0.303 1126 W C 2.344 178.858 176.519 -0.009 0.000 1.208 1126 W CA 2.139 59.483 57.345 -0.002 0.000 1.274 1126 W CB -0.271 29.187 29.460 -0.003 0.000 1.138 1126 W HN -0.055 nan 8.180 nan 0.000 0.515 1127 A N 0.665 123.422 122.820 -0.105 0.000 1.930 1127 A HA 0.020 4.340 4.320 -0.000 0.000 0.217 1127 A C 2.103 179.515 177.584 -0.287 0.000 1.175 1127 A CA 2.228 54.055 52.037 -0.350 0.000 0.627 1127 A CB -1.443 17.521 19.000 -0.060 0.000 0.815 1127 A HN 0.404 nan 8.150 nan 0.000 0.443 1128 A N -0.972 121.759 122.820 -0.148 0.000 1.898 1128 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 1128 A C 2.303 179.797 177.584 -0.150 0.000 1.181 1128 A CA 2.276 54.243 52.037 -0.116 0.000 0.620 1128 A CB -1.013 17.954 19.000 -0.055 0.000 0.819 1128 A HN 0.428 nan 8.150 nan 0.000 0.442 1129 T N -0.534 113.915 114.554 -0.175 0.000 2.706 1129 T HA -0.050 4.300 4.350 -0.000 0.000 0.255 1129 T C 1.890 176.441 174.700 -0.249 0.000 1.048 1129 T CA 1.220 63.221 62.100 -0.165 0.000 1.153 1129 T CB -0.201 68.609 68.868 -0.097 0.000 0.865 1129 T HN 0.399 nan 8.240 nan 0.000 0.414 1130 E N 1.181 121.104 120.200 -0.462 0.000 2.072 1130 E HA 0.059 4.408 4.350 -0.000 0.000 0.190 1130 E C 2.009 178.355 176.600 -0.423 0.000 0.982 1130 E CA 0.805 56.913 56.400 -0.487 0.000 0.803 1130 E CB -0.148 29.071 29.700 -0.802 0.000 0.755 1130 E HN 0.453 nan 8.360 nan 0.000 0.453 1131 L N -0.068 120.846 121.223 -0.515 0.000 2.640 1131 L HA 0.252 4.592 4.340 -0.000 0.000 0.230 1131 L C 0.001 176.748 176.870 -0.205 0.000 1.123 1131 L CA -0.165 54.479 54.840 -0.326 0.000 0.900 1131 L CB -0.019 41.831 42.059 -0.349 0.000 1.146 1131 L HN -0.048 nan 8.230 nan 0.000 0.484 1132 R N 0.469 120.850 120.500 -0.197 0.000 3.333 1132 R HA -0.177 4.163 4.340 -0.000 0.000 0.256 1132 R C 0.083 176.318 176.300 -0.108 0.000 1.010 1132 R CA 0.526 56.550 56.100 -0.125 0.000 0.680 1132 R CB -2.059 28.187 30.300 -0.090 0.000 1.102 1132 R HN 0.377 nan 8.270 nan 0.000 0.440 1133 A N 0.567 123.311 122.820 -0.127 0.000 3.216 1133 A HA 0.398 4.718 4.320 -0.000 0.000 0.321 1133 A C -2.344 175.193 177.584 -0.079 0.000 1.042 1133 A CA -1.240 50.741 52.037 -0.094 0.000 0.838 1133 A CB 0.693 19.634 19.000 -0.098 0.000 1.136 1133 A HN 0.071 nan 8.150 nan 0.000 0.483 1134 P HA 0.317 nan 4.420 nan 0.000 0.282 1134 P C -0.402 176.874 177.300 -0.041 0.000 1.274 1134 P CA 0.156 63.229 63.100 -0.046 0.000 0.770 1134 P CB 1.158 32.836 31.700 -0.037 0.000 0.867 1135 L N 4.248 125.446 121.223 -0.041 0.000 2.357 1135 L HA 0.407 4.747 4.340 -0.000 0.000 0.273 1135 L C 1.315 178.151 176.870 -0.057 0.000 1.080 1135 L CA -0.882 53.927 54.840 -0.052 0.000 0.803 1135 L CB 0.912 42.933 42.059 -0.063 0.000 1.174 1135 L HN 0.269 nan 8.230 nan 0.000 0.443 1136 R N 2.419 122.877 120.500 -0.070 0.000 2.340 1136 R HA 0.423 4.763 4.340 -0.000 0.000 0.300 1136 R C -0.711 175.517 176.300 -0.121 0.000 1.069 1136 R CA -0.548 55.510 56.100 -0.070 0.000 0.984 1136 R CB 0.851 31.115 30.300 -0.060 0.000 1.003 1136 R HN 0.342 nan 8.270 nan 0.000 0.459 1137 I N 2.826 123.341 120.570 -0.091 0.000 2.392 1137 I HA 0.240 4.410 4.170 -0.000 0.000 0.295 1137 I C 0.464 176.507 176.117 -0.125 0.000 0.985 1137 I CA -0.316 60.900 61.300 -0.142 0.000 1.221 1137 I CB 1.512 39.469 38.000 -0.072 0.000 1.366 1137 I HN 0.613 nan 8.210 nan 0.000 0.467 1138 T N 4.040 118.446 114.554 -0.246 0.000 2.912 1138 T HA 0.565 4.914 4.350 -0.000 0.000 0.288 1138 T C -0.601 174.026 174.700 -0.121 0.000 1.030 1138 T CA -0.705 61.334 62.100 -0.102 0.000 1.020 1138 T CB 1.507 70.307 68.868 -0.114 0.000 1.056 1138 T HN 0.379 nan 8.240 nan 0.000 0.480 1139 H N -0.025 119.059 119.070 0.023 0.000 2.539 1139 H HA 0.679 5.235 4.556 -0.000 0.000 0.332 1139 H C 0.807 176.177 175.328 0.070 0.000 1.031 1139 H CA 0.671 56.749 56.048 0.049 0.000 1.206 1139 H CB 1.055 30.833 29.762 0.026 0.000 1.446 1139 H HN 1.224 nan 8.280 nan 0.000 0.496 1140 G N 0.278 109.179 108.800 0.169 0.000 2.500 1140 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.209 1140 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.209 1140 G C 0.778 175.767 174.900 0.148 0.000 1.283 1140 G CA -0.130 45.054 45.100 0.139 0.000 0.960 1140 G HN 1.002 nan 8.290 nan 0.000 0.528 1141 V N -1.285 118.691 119.914 0.103 0.000 2.788 1141 V HA 0.415 4.534 4.120 -0.000 0.000 0.251 1141 V C 1.615 177.762 176.094 0.088 0.000 1.068 1141 V CA 1.538 63.885 62.300 0.077 0.000 1.090 1141 V CB -0.398 31.449 31.823 0.040 0.000 0.710 1141 V HN 0.702 nan 8.190 nan 0.000 0.467 1142 I N 3.468 124.097 120.570 0.098 0.000 2.311 1142 I HA 0.284 4.453 4.170 -0.000 0.000 0.297 1142 I C -2.125 174.074 176.117 0.138 0.000 1.131 1142 I CA -1.589 59.766 61.300 0.091 0.000 1.289 1142 I CB 0.155 38.194 38.000 0.066 0.000 1.446 1142 I HN 0.212 nan 8.210 nan 0.000 0.524 1143 P HA -0.042 nan 4.420 nan 0.000 0.262 1143 P C -0.384 176.993 177.300 0.128 0.000 1.182 1143 P CA -0.020 63.244 63.100 0.273 0.000 0.761 1143 P CB 0.720 32.559 31.700 0.231 0.000 0.795 1144 V N 5.732 125.685 119.914 0.065 0.000 2.394 1144 V HA 0.440 4.560 4.120 -0.000 0.000 0.282 1144 V C -2.058 174.038 176.094 0.004 0.000 1.031 1144 V CA -2.424 59.883 62.300 0.011 0.000 0.881 1144 V CB 1.063 32.868 31.823 -0.031 0.000 0.982 1144 V HN 0.527 nan 8.190 nan 0.000 0.451 1145 P HA 0.246 nan 4.420 nan 0.000 0.275 1145 P C -1.042 176.251 177.300 -0.010 0.000 1.228 1145 P CA -0.288 62.817 63.100 0.008 0.000 0.786 1145 P CB 0.773 32.479 31.700 0.009 0.000 0.927 1146 Q N 0.836 120.629 119.800 -0.012 0.000 2.260 1146 Q HA 0.147 4.487 4.340 -0.000 0.000 0.238 1146 Q C 0.165 176.156 176.000 -0.015 0.000 0.948 1146 Q CA -0.262 55.528 55.803 -0.021 0.000 0.895 1146 Q CB 0.511 29.236 28.738 -0.022 0.000 1.218 1146 Q HN 0.487 nan 8.270 nan 0.000 0.470 1147 D N 2.133 122.522 120.400 -0.018 0.000 2.472 1147 D HA -0.015 4.625 4.640 -0.000 0.000 0.248 1147 D C -1.630 174.663 176.300 -0.012 0.000 1.174 1147 D CA -1.277 52.715 54.000 -0.014 0.000 0.883 1147 D CB 0.954 41.743 40.800 -0.017 0.000 1.149 1147 D HN 0.129 nan 8.370 nan 0.000 0.488 1148 P HA -0.163 nan 4.420 nan 0.000 0.217 1148 P C 1.473 178.770 177.300 -0.006 0.000 1.148 1148 P CA 0.551 63.648 63.100 -0.005 0.000 0.828 1148 P CB 0.347 32.045 31.700 -0.003 0.000 0.783 1149 V N -1.005 118.903 119.914 -0.009 0.000 2.548 1149 V HA -0.147 3.973 4.120 -0.000 0.000 0.249 1149 V C 2.354 178.439 176.094 -0.014 0.000 1.055 1149 V CA 1.442 63.736 62.300 -0.010 0.000 1.065 1149 V CB -0.914 30.902 31.823 -0.012 0.000 0.681 1149 V HN -0.011 nan 8.190 nan 0.000 0.462 1150 V N -0.222 119.681 119.914 -0.018 0.000 2.453 1150 V HA -0.183 3.937 4.120 -0.000 0.000 0.247 1150 V C 2.243 178.326 176.094 -0.018 0.000 1.048 1150 V CA 1.575 63.860 62.300 -0.024 0.000 1.049 1150 V CB -0.441 31.365 31.823 -0.028 0.000 0.672 1150 V HN 0.440 nan 8.190 nan 0.000 0.457 1151 L N -0.756 120.461 121.223 -0.011 0.000 2.141 1151 L HA -0.131 4.209 4.340 -0.000 0.000 0.209 1151 L C 2.337 179.207 176.870 0.001 0.000 1.094 1151 L CA 1.299 56.137 54.840 -0.003 0.000 0.763 1151 L CB -0.422 41.637 42.059 -0.001 0.000 0.908 1151 L HN 0.314 nan 8.230 nan 0.000 0.437 1152 L N -0.529 120.694 121.223 -0.001 0.000 2.109 1152 L HA -0.182 4.158 4.340 -0.000 0.000 0.207 1152 L C 2.580 179.452 176.870 0.002 0.000 1.086 1152 L CA 1.200 56.043 54.840 0.004 0.000 0.760 1152 L CB -0.377 41.684 42.059 0.003 0.000 0.910 1152 L HN 0.201 nan 8.230 nan 0.000 0.437 1153 K N 0.125 120.520 120.400 -0.008 0.000 2.057 1153 K HA -0.108 4.212 4.320 -0.000 0.000 0.206 1153 K C 2.102 178.693 176.600 -0.014 0.000 1.050 1153 K CA 1.098 57.376 56.287 -0.015 0.000 0.935 1153 K CB -0.083 32.398 32.500 -0.031 0.000 0.715 1153 K HN 0.231 nan 8.250 nan 0.000 0.439 1154 L N 0.352 121.566 121.223 -0.014 0.000 2.072 1154 L HA -0.125 4.215 4.340 -0.000 0.000 0.205 1154 L C 2.354 179.229 176.870 0.008 0.000 1.079 1154 L CA 1.136 55.971 54.840 -0.009 0.000 0.752 1154 L CB -0.296 41.759 42.059 -0.007 0.000 0.906 1154 L HN 0.086 nan 8.230 nan 0.000 0.436 1155 R N 0.069 120.578 120.500 0.015 0.000 2.152 1155 R HA -0.116 4.224 4.340 -0.000 0.000 0.232 1155 R C 2.340 178.664 176.300 0.040 0.000 1.117 1155 R CA 1.185 57.302 56.100 0.027 0.000 0.981 1155 R CB -0.448 29.870 30.300 0.029 0.000 0.870 1155 R HN 0.347 nan 8.270 nan 0.000 0.451 1156 A N 1.041 123.882 122.820 0.034 0.000 2.014 1156 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 1156 A C 1.724 179.340 177.584 0.054 0.000 1.163 1156 A CA 0.944 53.008 52.037 0.046 0.000 0.652 1156 A CB -0.037 18.981 19.000 0.030 0.000 0.808 1156 A HN 0.114 nan 8.150 nan 0.000 0.449 1157 E N 0.051 120.273 120.200 0.036 0.000 2.106 1157 E HA -0.094 4.256 4.350 -0.000 0.000 0.192 1157 E C 2.168 178.807 176.600 0.064 0.000 0.984 1157 E CA 1.243 57.668 56.400 0.041 0.000 0.806 1157 E CB -0.546 29.162 29.700 0.013 0.000 0.750 1157 E HN 0.413 nan 8.360 nan 0.000 0.458 1158 V N 1.692 121.637 119.914 0.051 0.000 2.323 1158 V HA -0.172 3.948 4.120 -0.000 0.000 0.244 1158 V C 2.445 178.603 176.094 0.106 0.000 1.041 1158 V CA 1.670 63.997 62.300 0.045 0.000 1.025 1158 V CB -0.892 30.931 31.823 -0.000 0.000 0.656 1158 V HN 0.227 nan 8.190 nan 0.000 0.451 1159 A N 0.842 123.748 122.820 0.143 0.000 2.076 1159 A HA -0.176 4.144 4.320 -0.000 0.000 0.220 1159 A C 2.264 180.051 177.584 0.338 0.000 1.160 1159 A CA 1.911 54.121 52.037 0.288 0.000 0.653 1159 A CB -0.615 18.515 19.000 0.216 0.000 0.801 1159 A HN 0.703 nan 8.150 nan 0.000 0.455 1160 S N -0.909 114.924 115.700 0.222 0.000 2.701 1160 S HA 0.398 4.868 4.470 -0.000 0.000 0.220 1160 S C 0.337 175.079 174.600 0.237 0.000 0.954 1160 S CA -0.398 57.916 58.200 0.189 0.000 0.936 1160 S CB -0.590 62.685 63.200 0.126 0.000 0.777 1160 S HN 0.369 nan 8.310 nan 0.000 0.518 1161 L N 2.630 124.058 121.223 0.342 0.000 2.379 1161 L HA 0.427 4.767 4.340 -0.000 0.000 0.269 1161 L C 0.351 177.492 176.870 0.452 0.000 1.084 1161 L CA -1.057 54.000 54.840 0.363 0.000 0.802 1161 L CB 0.605 42.864 42.059 0.333 0.000 1.175 1161 L HN 0.314 nan 8.230 nan 0.000 0.448 1162 D N 0.903 121.506 120.400 0.338 0.000 2.360 1162 D HA 0.093 4.733 4.640 -0.000 0.000 0.242 1162 D C -2.211 174.371 176.300 0.471 0.000 1.184 1162 D CA -1.498 52.686 54.000 0.308 0.000 0.930 1162 D CB 0.900 41.801 40.800 0.168 0.000 1.161 1162 D HN 0.188 nan 8.370 nan 0.000 0.447 1163 P HA -0.106 nan 4.420 nan 0.000 0.215 1163 P C 1.296 178.810 177.300 0.356 0.000 1.157 1163 P CA 1.016 64.409 63.100 0.490 0.000 0.868 1163 P CB -0.057 31.904 31.700 0.436 0.000 0.788 1164 F N -0.298 119.768 119.950 0.193 0.000 2.171 1164 F HA -0.042 4.485 4.527 -0.000 0.000 0.300 1164 F C 2.494 178.448 175.800 0.256 0.000 1.090 1164 F CA 1.780 59.911 58.000 0.217 0.000 1.293 1164 F CB -1.583 37.439 39.000 0.036 0.000 1.013 1164 F HN -0.067 nan 8.300 nan 0.000 0.486 1165 G N -0.374 108.645 108.800 0.365 0.000 2.408 1165 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.217 1165 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.217 1165 G C 1.667 176.838 174.900 0.452 0.000 1.150 1165 G CA 0.755 46.121 45.100 0.443 0.000 0.776 1165 G HN 0.324 nan 8.290 nan 0.000 0.542 1166 L N 0.995 122.390 121.223 0.287 0.000 2.093 1166 L HA 0.033 4.373 4.340 -0.000 0.000 0.208 1166 L C 2.839 179.770 176.870 0.101 0.000 1.085 1166 L CA 2.324 57.226 54.840 0.102 0.000 0.755 1166 L CB -0.829 41.144 42.059 -0.144 0.000 0.904 1166 L HN 0.154 nan 8.230 nan 0.000 0.435 1167 T N -0.231 114.403 114.554 0.134 0.000 2.746 1167 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 1167 T C 1.892 176.670 174.700 0.130 0.000 1.039 1167 T CA 1.307 63.448 62.100 0.068 0.000 1.142 1167 T CB -0.453 68.417 68.868 0.002 0.000 0.866 1167 T HN 0.523 nan 8.240 nan 0.000 0.444 1168 A N 1.175 124.189 122.820 0.323 0.000 1.898 1168 A HA 0.049 4.369 4.320 -0.000 0.000 0.216 1168 A C 2.212 179.902 177.584 0.177 0.000 1.181 1168 A CA 1.039 53.286 52.037 0.350 0.000 0.620 1168 A CB -0.771 18.586 19.000 0.596 0.000 0.819 1168 A HN 0.397 nan 8.150 nan 0.000 0.442 1169 L N -0.431 120.877 121.223 0.143 0.000 2.079 1169 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 1169 L C 2.324 179.178 176.870 -0.027 0.000 1.081 1169 L CA 2.532 57.367 54.840 -0.008 0.000 0.752 1169 L CB -0.834 41.202 42.059 -0.038 0.000 0.896 1169 L HN 0.643 nan 8.230 nan 0.000 0.433 1170 H N 0.022 119.045 119.070 -0.079 0.000 2.260 1170 H HA -0.252 4.304 4.556 -0.000 0.000 0.288 1170 H C 1.650 176.895 175.328 -0.139 0.000 1.094 1170 H CA 2.593 58.571 56.048 -0.117 0.000 1.197 1170 H CB -0.194 29.508 29.762 -0.099 0.000 1.346 1170 H HN 0.390 nan 8.280 nan 0.000 0.486 1171 D N 0.395 120.881 120.400 0.142 0.000 2.219 1171 D HA -0.061 4.579 4.640 -0.000 0.000 0.205 1171 D C 2.583 178.840 176.300 -0.072 0.000 0.970 1171 D CA 0.441 54.470 54.000 0.049 0.000 0.851 1171 D CB -0.292 40.546 40.800 0.064 0.000 0.943 1171 D HN 0.387 nan 8.370 nan 0.000 0.488 1172 L N -0.109 121.064 121.223 -0.082 0.000 2.353 1172 L HA -0.097 4.243 4.340 -0.000 0.000 0.220 1172 L C 2.049 178.815 176.870 -0.174 0.000 1.133 1172 L CA 0.364 55.137 54.840 -0.111 0.000 0.798 1172 L CB 0.002 41.987 42.059 -0.124 0.000 0.922 1172 L HN -0.023 nan 8.230 nan 0.000 0.445 1173 V N -1.095 118.659 119.914 -0.266 0.000 2.521 1173 V HA -0.147 3.973 4.120 -0.000 0.000 0.239 1173 V C 2.616 178.386 176.094 -0.540 0.000 1.053 1173 V CA 1.758 63.814 62.300 -0.408 0.000 1.073 1173 V CB -0.155 31.353 31.823 -0.524 0.000 0.746 1173 V HN 0.557 nan 8.190 nan 0.000 0.476 1174 T N -0.952 113.250 114.554 -0.587 0.000 2.821 1174 T HA -0.113 4.237 4.350 -0.000 0.000 0.267 1174 T C 1.910 176.514 174.700 -0.160 0.000 1.046 1174 T CA 1.430 63.251 62.100 -0.466 0.000 1.139 1174 T CB -0.444 68.188 68.868 -0.393 0.000 0.871 1174 T HN 0.280 nan 8.240 nan 0.000 0.454 1175 L N 1.611 122.769 121.223 -0.109 0.000 1.976 1175 L HA 0.028 4.368 4.340 -0.000 0.000 0.209 1175 L C 0.231 177.104 176.870 0.005 0.000 1.071 1175 L CA 1.531 56.358 54.840 -0.021 0.000 0.746 1175 L CB -1.608 40.448 42.059 -0.004 0.000 0.890 1175 L HN 0.286 nan 8.230 nan 0.000 0.432 1176 P HA -0.062 nan 4.420 nan 0.000 0.229 1176 P C 0.854 178.151 177.300 -0.004 0.000 1.160 1176 P CA 1.559 64.664 63.100 0.009 0.000 0.777 1176 P CB 0.141 31.836 31.700 -0.009 0.000 0.814 1177 G N -0.294 108.495 108.800 -0.019 0.000 2.212 1177 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.255 1177 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.255 1177 G C -0.083 174.872 174.900 0.092 0.000 1.062 1177 G CA 0.133 45.293 45.100 0.099 0.000 0.815 1177 G HN 0.721 nan 8.290 nan 0.000 0.497 1178 S N -1.235 114.439 115.700 -0.044 0.000 2.603 1178 S HA 0.532 5.002 4.470 -0.000 0.000 0.274 1178 S C 0.675 175.213 174.600 -0.103 0.000 1.168 1178 S CA 0.054 58.223 58.200 -0.051 0.000 0.963 1178 S CB 1.357 64.475 63.200 -0.137 0.000 1.078 1178 S HN 1.277 nan 8.310 nan 0.000 0.477 1179 L N 6.027 127.228 121.223 -0.037 0.000 2.179 1179 L HA 0.264 4.604 4.340 -0.000 0.000 0.208 1179 L C 1.610 178.463 176.870 -0.029 0.000 1.096 1179 L CA 1.540 56.348 54.840 -0.053 0.000 0.779 1179 L CB -0.459 41.609 42.059 0.015 0.000 0.922 1179 L HN 0.803 nan 8.230 nan 0.000 0.443 1180 I N -0.561 120.005 120.570 -0.008 0.000 2.252 1180 I HA -0.254 3.915 4.170 -0.000 0.000 0.245 1180 I C 2.514 178.643 176.117 0.021 0.000 1.102 1180 I CA 1.269 62.608 61.300 0.064 0.000 1.385 1180 I CB -1.170 36.864 38.000 0.057 0.000 1.064 1180 I HN 0.289 nan 8.210 nan 0.000 0.414 1181 L N 0.439 121.617 121.223 -0.076 0.000 2.046 1181 L HA -0.126 4.213 4.340 -0.000 0.000 0.208 1181 L C 2.660 179.451 176.870 -0.132 0.000 1.077 1181 L CA 1.543 56.313 54.840 -0.118 0.000 0.747 1181 L CB -1.084 40.900 42.059 -0.126 0.000 0.896 1181 L HN 0.283 nan 8.230 nan 0.000 0.432 1182 G N 0.067 108.789 108.800 -0.131 0.000 2.421 1182 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.216 1182 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.216 1182 G C 1.613 176.409 174.900 -0.172 0.000 1.171 1182 G CA 0.506 45.509 45.100 -0.162 0.000 0.775 1182 G HN 0.231 nan 8.290 nan 0.000 0.543 1183 L N 0.647 121.818 121.223 -0.087 0.000 2.141 1183 L HA 0.026 4.366 4.340 -0.000 0.000 0.209 1183 L C 3.362 180.215 176.870 -0.028 0.000 1.094 1183 L CA 0.772 55.597 54.840 -0.025 0.000 0.763 1183 L CB -0.319 41.813 42.059 0.122 0.000 0.908 1183 L HN 0.298 nan 8.230 nan 0.000 0.437 1184 A N -0.246 122.480 122.820 -0.157 0.000 1.933 1184 A HA -0.135 4.184 4.320 -0.000 0.000 0.218 1184 A C 2.340 179.684 177.584 -0.400 0.000 1.175 1184 A CA 1.652 53.331 52.037 -0.597 0.000 0.628 1184 A CB -0.698 17.886 19.000 -0.693 0.000 0.814 1184 A HN 0.186 nan 8.150 nan 0.000 0.444 1185 V N 1.022 120.759 119.914 -0.296 0.000 2.270 1185 V HA -0.272 3.848 4.120 -0.000 0.000 0.245 1185 V C 2.508 178.384 176.094 -0.363 0.000 1.043 1185 V CA 2.065 64.206 62.300 -0.265 0.000 1.014 1185 V CB -0.873 30.814 31.823 -0.226 0.000 0.645 1185 V HN 0.770 nan 8.190 nan 0.000 0.447 1186 I N -2.117 118.112 120.570 -0.569 0.000 2.676 1186 I HA -0.059 4.111 4.170 -0.000 0.000 0.259 1186 I C 2.266 178.086 176.117 -0.494 0.000 1.194 1186 I CA 1.270 61.925 61.300 -1.074 0.000 1.473 1186 I CB -0.437 36.493 38.000 -1.783 0.000 1.096 1186 I HN 0.082 nan 8.210 nan 0.000 0.443 1187 R N 1.840 122.216 120.500 -0.206 0.000 2.310 1187 R HA 0.224 4.563 4.340 -0.000 0.000 0.202 1187 R C 1.503 177.835 176.300 0.054 0.000 0.933 1187 R CA 0.436 56.561 56.100 0.042 0.000 1.054 1187 R CB -0.578 29.871 30.300 0.248 0.000 0.985 1187 R HN 0.648 nan 8.270 nan 0.000 0.489 1188 G N 1.331 110.112 108.800 -0.033 0.000 2.143 1188 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.249 1188 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.249 1188 G C 0.997 175.839 174.900 -0.097 0.000 0.981 1188 G CA 0.664 45.765 45.100 0.001 0.000 0.665 1188 G HN 0.339 nan 8.290 nan 0.000 0.528 1189 R N 0.809 121.143 120.500 -0.277 0.000 2.093 1189 R HA 0.342 4.682 4.340 -0.000 0.000 0.224 1189 R C 1.434 177.543 176.300 -0.320 0.000 1.101 1189 R CA 1.932 57.767 56.100 -0.442 0.000 0.979 1189 R CB -0.181 29.434 30.300 -1.142 0.000 0.877 1189 R HN 1.115 nan 8.270 nan 0.000 0.441 1190 I N -2.241 118.164 120.570 -0.276 0.000 3.102 1190 I HA 0.480 4.649 4.170 -0.000 0.000 0.310 1190 I C -1.458 174.596 176.117 -0.106 0.000 1.246 1190 I CA -1.416 59.783 61.300 -0.167 0.000 0.979 1190 I CB 2.175 40.074 38.000 -0.170 0.000 1.267 1190 I HN -0.055 nan 8.210 nan 0.000 0.451 1191 D N 2.869 123.240 120.400 -0.048 0.000 2.478 1191 D HA 0.538 5.178 4.640 -0.000 0.000 0.263 1191 D C 0.939 177.234 176.300 -0.009 0.000 1.153 1191 D CA -0.237 53.761 54.000 -0.004 0.000 1.038 1191 D CB 1.306 42.122 40.800 0.027 0.000 1.120 1191 D HN 0.701 nan 8.370 nan 0.000 0.564 1192 A N -0.523 122.306 122.820 0.015 0.000 1.898 1192 A HA 0.025 4.345 4.320 -0.000 0.000 0.216 1192 A C -0.511 177.100 177.584 0.044 0.000 1.181 1192 A CA 1.189 53.234 52.037 0.014 0.000 0.620 1192 A CB -1.617 17.393 19.000 0.018 0.000 0.819 1192 A HN 0.544 nan 8.150 nan 0.000 0.442 1193 P HA -0.067 nan 4.420 nan 0.000 0.218 1193 P C 1.330 178.688 177.300 0.096 0.000 1.149 1193 P CA 1.586 64.732 63.100 0.078 0.000 0.817 1193 P CB -0.125 31.607 31.700 0.053 0.000 0.785 1194 T N -0.893 113.692 114.554 0.051 0.000 2.857 1194 T HA -0.047 4.303 4.350 -0.000 0.000 0.266 1194 T C 1.893 176.619 174.700 0.042 0.000 1.048 1194 T CA 1.369 63.491 62.100 0.036 0.000 1.139 1194 T CB -0.813 68.056 68.868 0.003 0.000 0.874 1194 T HN 0.018 nan 8.240 nan 0.000 0.455 1195 A N 1.313 124.150 122.820 0.030 0.000 1.902 1195 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 1195 A C 2.037 179.667 177.584 0.077 0.000 1.181 1195 A CA 2.220 54.269 52.037 0.020 0.000 0.623 1195 A CB -0.953 18.036 19.000 -0.018 0.000 0.818 1195 A HN 0.617 nan 8.150 nan 0.000 0.443 1196 H N 0.123 119.198 119.070 0.008 0.000 2.293 1196 H HA 0.005 4.561 4.556 -0.000 0.000 0.300 1196 H C 2.185 177.545 175.328 0.052 0.000 1.082 1196 H CA 2.105 58.167 56.048 0.024 0.000 1.308 1196 H CB -0.410 29.363 29.762 0.018 0.000 1.375 1196 H HN 0.370 nan 8.280 nan 0.000 0.495 1197 A N 0.577 123.382 122.820 -0.025 0.000 1.933 1197 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 1197 A C 2.630 180.210 177.584 -0.007 0.000 1.175 1197 A CA 1.535 53.529 52.037 -0.071 0.000 0.628 1197 A CB -0.893 18.113 19.000 0.011 0.000 0.814 1197 A HN 0.486 nan 8.150 nan 0.000 0.444 1198 L N 0.384 121.653 121.223 0.076 0.000 2.093 1198 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 1198 L C 3.021 180.120 176.870 0.383 0.000 1.085 1198 L CA 1.571 56.552 54.840 0.235 0.000 0.755 1198 L CB -0.482 41.728 42.059 0.251 0.000 0.904 1198 L HN 0.633 nan 8.230 nan 0.000 0.435 1199 S N 0.670 116.475 115.700 0.176 0.000 2.402 1199 S HA -0.195 4.274 4.470 -0.000 0.000 0.229 1199 S C 1.748 176.455 174.600 0.178 0.000 1.021 1199 S CA 0.699 59.007 58.200 0.179 0.000 0.974 1199 S CB -0.387 62.844 63.200 0.052 0.000 0.800 1199 S HN 0.575 nan 8.310 nan 0.000 0.484 1200 R N 0.641 121.152 120.500 0.020 0.000 2.480 1200 R HA 0.421 4.761 4.340 -0.000 0.000 0.277 1200 R C 1.224 177.536 176.300 0.020 0.000 1.008 1200 R CA -0.105 55.995 56.100 0.000 0.000 1.090 1200 R CB -0.721 29.504 30.300 -0.125 0.000 1.234 1200 R HN 0.363 nan 8.270 nan 0.000 0.549 1201 I N 1.816 122.405 120.570 0.031 0.000 2.151 1201 I HA -0.359 3.810 4.170 -0.000 0.000 0.243 1201 I C 2.662 178.755 176.117 -0.041 0.000 1.080 1201 I CA 1.764 63.017 61.300 -0.078 0.000 1.339 1201 I CB -0.217 37.590 38.000 -0.323 0.000 1.039 1201 I HN 0.317 nan 8.210 nan 0.000 0.409 1202 K N 0.975 121.360 120.400 -0.026 0.000 2.025 1202 K HA -0.257 4.063 4.320 -0.000 0.000 0.207 1202 K C 2.107 178.782 176.600 0.125 0.000 1.049 1202 K CA 1.779 58.083 56.287 0.028 0.000 0.933 1202 K CB -0.128 32.400 32.500 0.046 0.000 0.714 1202 K HN 0.265 nan 8.250 nan 0.000 0.438 1203 E N 0.294 120.553 120.200 0.098 0.000 2.058 1203 E HA -0.258 4.092 4.350 -0.000 0.000 0.194 1203 E C 1.901 178.546 176.600 0.075 0.000 0.997 1203 E CA 1.555 58.011 56.400 0.094 0.000 0.801 1203 E CB 0.007 29.747 29.700 0.065 0.000 0.746 1203 E HN 0.242 nan 8.360 nan 0.000 0.450 1204 E N 0.150 120.379 120.200 0.049 0.000 2.047 1204 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 1204 E C 1.738 178.341 176.600 0.005 0.000 0.987 1204 E CA 1.175 57.585 56.400 0.016 0.000 0.799 1204 E CB -0.580 29.119 29.700 -0.002 0.000 0.752 1204 E HN 0.389 nan 8.360 nan 0.000 0.449 1205 F N 1.214 121.102 119.950 -0.103 0.000 2.095 1205 F HA -0.221 4.306 4.527 0.000 0.000 0.298 1205 F C 2.208 177.885 175.800 -0.205 0.000 1.104 1205 F CA 2.021 59.928 58.000 -0.156 0.000 1.232 1205 F CB -0.222 38.679 39.000 -0.165 0.000 0.987 1205 F HN 0.067 nan 8.300 nan 0.000 0.475 1206 Q N 0.081 119.923 119.800 0.070 0.000 2.124 1206 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 1206 Q C 2.454 178.410 176.000 -0.074 0.000 0.977 1206 Q CA 1.297 57.097 55.803 -0.006 0.000 0.850 1206 Q CB -0.446 28.500 28.738 0.346 0.000 0.901 1206 Q HN 0.578 nan 8.270 nan 0.000 0.429 1207 A N 0.902 123.699 122.820 -0.038 0.000 1.898 1207 A HA -0.211 4.108 4.320 -0.000 0.000 0.216 1207 A C 1.894 179.407 177.584 -0.118 0.000 1.181 1207 A CA 1.514 53.535 52.037 -0.028 0.000 0.620 1207 A CB -0.328 18.668 19.000 -0.008 0.000 0.819 1207 A HN 0.171 nan 8.150 nan 0.000 0.442 1208 E N -0.651 119.417 120.200 -0.220 0.000 2.204 1208 E HA -0.095 4.255 4.350 -0.000 0.000 0.194 1208 E C 2.097 178.478 176.600 -0.366 0.000 0.989 1208 E CA 1.043 57.285 56.400 -0.263 0.000 0.824 1208 E CB -0.128 29.397 29.700 -0.292 0.000 0.756 1208 E HN 0.611 nan 8.360 nan 0.000 0.477 1209 R N -1.421 118.728 120.500 -0.586 0.000 2.105 1209 R HA 0.015 4.354 4.340 -0.000 0.000 0.214 1209 R C 0.763 176.743 176.300 -0.533 0.000 1.091 1209 R CA 0.793 56.428 56.100 -0.774 0.000 1.007 1209 R CB 0.153 29.577 30.300 -1.460 0.000 0.912 1209 R HN 0.195 nan 8.270 nan 0.000 0.450 1210 W N 0.314 121.549 121.300 -0.109 0.000 2.870 1210 W HA 0.464 5.123 4.660 -0.001 0.000 0.358 1210 W C -0.122 176.373 176.519 -0.041 0.000 1.043 1210 W CA 0.473 57.784 57.345 -0.056 0.000 1.692 1210 W CB 0.539 29.981 29.460 -0.029 0.000 1.100 1210 W HN 0.265 nan 8.180 nan 0.000 0.557 1211 G N 1.698 110.565 108.800 0.111 0.000 2.697 1211 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.684 1211 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.684 1211 G C -0.459 174.477 174.900 0.061 0.000 1.274 1211 G CA -1.252 43.891 45.100 0.072 0.000 0.806 1211 G HN -0.157 nan 8.290 nan 0.000 0.644 1212 R N 0.781 121.301 120.500 0.033 0.000 2.643 1212 R HA 0.297 4.637 4.340 -0.000 0.000 0.270 1212 R C -0.290 176.034 176.300 0.040 0.000 1.061 1212 R CA -0.276 55.843 56.100 0.031 0.000 1.107 1212 R CB 0.934 31.245 30.300 0.018 0.000 0.999 1212 R HN 0.659 nan 8.270 nan 0.000 0.460 1213 D N 1.793 122.219 120.400 0.043 0.000 2.440 1213 D HA 0.085 4.725 4.640 -0.000 0.000 0.239 1213 D C 0.124 176.445 176.300 0.035 0.000 1.084 1213 D CA -0.250 53.775 54.000 0.041 0.000 0.843 1213 D CB 1.021 41.851 40.800 0.050 0.000 1.097 1213 D HN 0.363 nan 8.370 nan 0.000 0.531 1214 E N 2.270 122.487 120.200 0.028 0.000 2.085 1214 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 1214 E C 1.405 178.021 176.600 0.027 0.000 0.994 1214 E CA 1.279 57.694 56.400 0.025 0.000 0.801 1214 E CB 0.257 29.969 29.700 0.019 0.000 0.743 1214 E HN 0.586 nan 8.360 nan 0.000 0.453 1215 E N 0.306 120.522 120.200 0.026 0.000 2.051 1215 E HA -0.184 4.165 4.350 -0.000 0.000 0.192 1215 E C 2.170 178.790 176.600 0.034 0.000 0.991 1215 E CA 0.881 57.297 56.400 0.026 0.000 0.799 1215 E CB -0.161 29.553 29.700 0.024 0.000 0.748 1215 E HN 0.300 nan 8.360 nan 0.000 0.449 1216 A N 1.558 124.402 122.820 0.039 0.000 1.908 1216 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 1216 A C 1.971 179.588 177.584 0.055 0.000 1.181 1216 A CA 1.366 53.432 52.037 0.049 0.000 0.627 1216 A CB -0.343 18.689 19.000 0.054 0.000 0.818 1216 A HN 0.104 nan 8.150 nan 0.000 0.445 1217 E N -0.050 120.180 120.200 0.050 0.000 2.077 1217 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 1217 E C 2.365 178.995 176.600 0.051 0.000 0.989 1217 E CA 1.220 57.652 56.400 0.054 0.000 0.800 1217 E CB -0.667 29.058 29.700 0.042 0.000 0.746 1217 E HN 0.581 nan 8.360 nan 0.000 0.452 1218 A N 1.381 124.224 122.820 0.038 0.000 1.877 1218 A HA -0.247 4.073 4.320 -0.000 0.000 0.216 1218 A C 2.170 179.773 177.584 0.032 0.000 1.186 1218 A CA 1.703 53.758 52.037 0.029 0.000 0.620 1218 A CB -0.592 18.421 19.000 0.022 0.000 0.822 1218 A HN 0.228 nan 8.150 nan 0.000 0.443 1219 Q N -0.685 119.139 119.800 0.040 0.000 2.084 1219 Q HA -0.092 4.248 4.340 -0.000 0.000 0.202 1219 Q C 2.420 178.459 176.000 0.064 0.000 0.978 1219 Q CA 1.368 57.197 55.803 0.044 0.000 0.844 1219 Q CB -0.402 28.364 28.738 0.046 0.000 0.898 1219 Q HN 0.689 nan 8.270 nan 0.000 0.426 1220 A N 1.157 124.035 122.820 0.097 0.000 1.902 1220 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 1220 A C 2.315 179.959 177.584 0.100 0.000 1.181 1220 A CA 1.607 53.754 52.037 0.183 0.000 0.623 1220 A CB -0.843 18.286 19.000 0.215 0.000 0.818 1220 A HN 0.404 nan 8.150 nan 0.000 0.443 1221 A N -0.818 122.034 122.820 0.053 0.000 1.933 1221 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 1221 A C 2.481 180.033 177.584 -0.054 0.000 1.175 1221 A CA 2.227 54.259 52.037 -0.008 0.000 0.628 1221 A CB -0.915 18.090 19.000 0.009 0.000 0.814 1221 A HN 0.577 nan 8.150 nan 0.000 0.444 1222 S N -0.722 114.963 115.700 -0.025 0.000 2.355 1222 S HA -0.165 4.305 4.470 -0.000 0.000 0.222 1222 S C 2.208 176.775 174.600 -0.055 0.000 1.031 1222 S CA 1.299 59.481 58.200 -0.031 0.000 0.993 1222 S CB -0.339 62.856 63.200 -0.008 0.000 0.859 1222 S HN 0.619 nan 8.310 nan 0.000 0.453 1223 R N 0.180 120.651 120.500 -0.048 0.000 2.081 1223 R HA -0.073 4.266 4.340 -0.000 0.000 0.235 1223 R C 2.354 178.538 176.300 -0.192 0.000 1.131 1223 R CA 1.544 57.609 56.100 -0.060 0.000 0.960 1223 R CB -0.761 29.563 30.300 0.039 0.000 0.856 1223 R HN 0.410 nan 8.270 nan 0.000 0.436 1224 L N 0.963 121.925 121.223 -0.434 0.000 2.012 1224 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 1224 L C 2.262 179.000 176.870 -0.220 0.000 1.073 1224 L CA 2.078 56.585 54.840 -0.554 0.000 0.748 1224 L CB -0.720 40.922 42.059 -0.695 0.000 0.891 1224 L HN 0.129 nan 8.230 nan 0.000 0.431 1225 A N -0.555 122.179 122.820 -0.144 0.000 1.933 1225 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 1225 A C 2.437 179.988 177.584 -0.055 0.000 1.175 1225 A CA 1.783 53.775 52.037 -0.075 0.000 0.628 1225 A CB -1.146 17.822 19.000 -0.053 0.000 0.814 1225 A HN 0.602 nan 8.150 nan 0.000 0.444 1226 A N -0.689 122.096 122.820 -0.059 0.000 1.930 1226 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 1226 A C 2.222 179.788 177.584 -0.030 0.000 1.175 1226 A CA 1.663 53.676 52.037 -0.039 0.000 0.627 1226 A CB -0.493 18.487 19.000 -0.034 0.000 0.815 1226 A HN 0.528 nan 8.150 nan 0.000 0.443 1227 M N -1.050 118.522 119.600 -0.046 0.000 2.175 1227 M HA -0.111 4.369 4.480 -0.000 0.000 0.264 1227 M C 2.301 178.598 176.300 -0.006 0.000 1.063 1227 M CA 1.288 56.570 55.300 -0.029 0.000 1.119 1227 M CB -0.264 32.312 32.600 -0.041 0.000 1.377 1227 M HN 0.326 nan 8.290 nan 0.000 0.415 1228 R N 0.230 120.723 120.500 -0.013 0.000 2.115 1228 R HA -0.116 4.224 4.340 -0.000 0.000 0.230 1228 R C 1.549 177.881 176.300 0.053 0.000 1.111 1228 R CA 1.071 57.185 56.100 0.023 0.000 0.976 1228 R CB -0.408 29.898 30.300 0.010 0.000 0.870 1228 R HN 0.382 nan 8.270 nan 0.000 0.445 1229 D N 0.165 120.587 120.400 0.035 0.000 2.117 1229 D HA -0.075 4.565 4.640 -0.000 0.000 0.198 1229 D C 1.873 178.235 176.300 0.103 0.000 0.982 1229 D CA 1.245 55.279 54.000 0.057 0.000 0.828 1229 D CB -0.098 40.708 40.800 0.011 0.000 0.967 1229 D HN 0.019 nan 8.370 nan 0.000 0.464 1230 S N 0.400 116.146 115.700 0.076 0.000 2.368 1230 S HA -0.166 4.304 4.470 -0.000 0.000 0.224 1230 S C 1.842 176.559 174.600 0.196 0.000 1.029 1230 S CA 0.978 59.251 58.200 0.122 0.000 0.988 1230 S CB -0.064 63.172 63.200 0.059 0.000 0.838 1230 S HN 0.379 nan 8.310 nan 0.000 0.462 1231 E N 1.144 121.423 120.200 0.132 0.000 2.051 1231 E HA -0.227 4.123 4.350 -0.000 0.000 0.192 1231 E C 2.237 178.972 176.600 0.225 0.000 0.991 1231 E CA 0.992 57.471 56.400 0.131 0.000 0.799 1231 E CB -0.056 29.710 29.700 0.109 0.000 0.748 1231 E HN 0.182 nan 8.360 nan 0.000 0.449 1232 R N 0.113 120.754 120.500 0.234 0.000 2.083 1232 R HA -0.173 4.166 4.340 -0.000 0.000 0.237 1232 R C 2.088 178.543 176.300 0.258 0.000 1.137 1232 R CA 1.804 58.052 56.100 0.246 0.000 0.951 1232 R CB -1.078 29.334 30.300 0.186 0.000 0.851 1232 R HN 0.306 nan 8.270 nan 0.000 0.434 1233 F N 0.189 120.212 119.950 0.121 0.000 2.171 1233 F HA -0.190 4.337 4.527 -0.000 0.000 0.300 1233 F C 2.046 177.921 175.800 0.125 0.000 1.090 1233 F CA 1.919 59.989 58.000 0.117 0.000 1.293 1233 F CB -0.434 38.633 39.000 0.111 0.000 1.013 1233 F HN 0.229 nan 8.300 nan 0.000 0.486 1234 W N 0.686 122.019 121.300 0.055 0.000 2.355 1234 W HA -0.235 4.425 4.660 -0.000 0.000 0.309 1234 W C 2.261 178.680 176.519 -0.166 0.000 1.206 1234 W CA 2.118 59.405 57.345 -0.097 0.000 1.284 1234 W CB -0.959 28.397 29.460 -0.173 0.000 1.145 1234 W HN 0.100 nan 8.180 nan 0.000 0.502 1235 H N 0.719 119.826 119.070 0.061 0.000 2.387 1235 H HA -0.107 4.449 4.556 -0.000 0.000 0.299 1235 H C 2.487 177.698 175.328 -0.195 0.000 1.090 1235 H CA 1.867 57.868 56.048 -0.078 0.000 1.332 1235 H CB -0.746 29.062 29.762 0.076 0.000 1.386 1235 H HN 0.247 nan 8.280 nan 0.000 0.516 1236 L N 0.711 121.899 121.223 -0.059 0.000 2.191 1236 L HA -0.117 4.223 4.340 -0.000 0.000 0.212 1236 L C 2.055 178.752 176.870 -0.288 0.000 1.103 1236 L CA 1.645 56.394 54.840 -0.152 0.000 0.769 1236 L CB -0.350 41.631 42.059 -0.129 0.000 0.908 1236 L HN 0.341 nan 8.230 nan 0.000 0.438 1237 T N -3.651 110.658 114.554 -0.409 0.000 3.188 1237 T HA 0.140 4.489 4.350 -0.000 0.000 0.250 1237 T C 0.786 175.223 174.700 -0.439 0.000 1.077 1237 T CA -0.309 61.520 62.100 -0.453 0.000 0.967 1237 T CB 0.098 68.669 68.868 -0.495 0.000 1.006 1237 T HN 0.018 nan 8.240 nan 0.000 0.552 1238 R N 0.000 120.254 120.500 -0.409 0.000 2.786 1238 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 1238 R CA 0.000 55.879 56.100 -0.368 0.000 0.921 1238 R CB 0.000 30.088 30.300 -0.353 0.000 0.687 1238 R HN 0.000 nan 8.270 nan 0.000 0.535