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 2x0k_1_B DATA FIRST_RESID 1001 DATA SEQUENCE MDIWYGTAAV PKDLDNSAVT IGVFDGVHRG HQKLINATVE KAREVGAKAI DATA SEQUENCE MVTFDPHPVS VFLPRRAPLG ITTLAERFAL AESFGIDGVL VIDFTRELSG DATA SEQUENCE TSPEKYVEFL LEDTLHASHV VVGANFTFGE NAAGTADSLR QICQSRLTVD DATA SEQUENCE VIDLLDDEGV RISSTTVREF LSEGDVARAN WALGRHFYVT GPVVRGAGRG DATA SEQUENCE GKELGFPTAN QYFHDTVALP ADGVYAGWLT ILPTEAPVSG NMEPEVAYAA DATA SEQUENCE AISVGTNPTF GDEQRSVESF VLDRDADLYG HDVKVEFVDH VRAMEKFDSV DATA SEQUENCE EQLLEVMAKD VQKTRTLLAQ DVQAHKMAPE TYFLQAES 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 1001 M HA 0.000 nan 4.480 nan 0.000 0.227 1001 M C 0.000 176.090 176.300 -0.349 0.000 1.140 1001 M CA 0.000 55.156 55.300 -0.240 0.000 0.988 1001 M CB 0.000 32.458 32.600 -0.237 0.000 1.302 1002 D N 4.476 124.580 120.400 -0.492 0.000 2.304 1002 D HA 0.590 5.230 4.640 -0.000 0.000 0.247 1002 D C -0.689 174.961 176.300 -1.084 0.000 1.089 1002 D CA 0.298 53.856 54.000 -0.736 0.000 0.910 1002 D CB 1.422 41.718 40.800 -0.840 0.000 1.199 1002 D HN 0.512 nan 8.370 nan 0.000 0.426 1003 I N 1.619 121.578 120.570 -1.018 0.000 2.439 1003 I HA 0.242 4.412 4.170 -0.000 0.000 0.285 1003 I C -0.776 174.859 176.117 -0.803 0.000 1.021 1003 I CA -0.776 59.903 61.300 -1.035 0.000 1.091 1003 I CB 1.627 39.022 38.000 -1.009 0.000 1.242 1003 I HN 0.069 nan 8.210 nan 0.000 0.439 1004 W N 5.971 127.021 121.300 -0.416 0.000 2.471 1004 W HA 0.379 5.039 4.660 -0.000 0.000 0.318 1004 W C -1.001 175.308 176.519 -0.350 0.000 1.034 1004 W CA -1.109 56.074 57.345 -0.271 0.000 1.224 1004 W CB 0.805 30.156 29.460 -0.182 0.000 1.335 1004 W HN 0.368 nan 8.180 nan 0.000 0.452 1005 Y N 2.224 122.610 120.300 0.144 0.000 2.518 1005 Y HA 0.467 5.017 4.550 -0.000 0.000 0.344 1005 Y C 1.099 177.049 175.900 0.083 0.000 0.982 1005 Y CA 0.580 58.737 58.100 0.094 0.000 1.234 1005 Y CB 0.619 39.123 38.460 0.075 0.000 1.114 1005 Y HN 0.649 nan 8.280 nan 0.000 0.515 1006 G N 1.112 110.006 108.800 0.157 0.000 2.712 1006 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.686 1006 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.686 1006 G C 0.714 175.630 174.900 0.027 0.000 1.321 1006 G CA -0.365 44.793 45.100 0.097 0.000 0.813 1006 G HN 0.769 nan 8.290 nan 0.000 0.599 1007 T N -1.559 112.978 114.554 -0.028 0.000 2.833 1007 T HA 0.157 4.507 4.350 -0.000 0.000 0.269 1007 T C 2.602 177.242 174.700 -0.100 0.000 1.054 1007 T CA 2.289 64.300 62.100 -0.147 0.000 1.135 1007 T CB -0.205 68.480 68.868 -0.306 0.000 0.869 1007 T HN 2.082 nan 8.240 nan 0.000 0.466 1008 A N 1.305 124.126 122.820 0.001 0.000 2.121 1008 A HA 0.513 4.833 4.320 -0.000 0.000 0.218 1008 A C 2.602 180.170 177.584 -0.027 0.000 1.154 1008 A CA 1.231 53.273 52.037 0.008 0.000 0.679 1008 A CB -0.971 18.062 19.000 0.054 0.000 0.795 1008 A HN 0.729 nan 8.150 nan 0.000 0.458 1009 A N -0.569 122.238 122.820 -0.021 0.000 2.123 1009 A HA 0.360 4.680 4.320 -0.000 0.000 0.214 1009 A C 0.914 178.357 177.584 -0.236 0.000 1.152 1009 A CA 0.299 52.328 52.037 -0.012 0.000 0.728 1009 A CB -0.377 18.709 19.000 0.142 0.000 0.814 1009 A HN 0.237 nan 8.150 nan 0.000 0.464 1010 V N 2.115 121.774 119.914 -0.425 0.000 2.572 1010 V HA 0.147 4.267 4.120 -0.000 0.000 0.291 1010 V C -2.209 173.547 176.094 -0.563 0.000 1.039 1010 V CA -1.289 60.483 62.300 -0.881 0.000 1.055 1010 V CB 0.508 31.884 31.823 -0.744 0.000 0.969 1010 V HN 0.259 nan 8.190 nan 0.000 0.482 1011 P HA 0.127 nan 4.420 nan 0.000 0.264 1011 P C 0.151 177.326 177.300 -0.207 0.000 1.193 1011 P CA -0.146 62.785 63.100 -0.281 0.000 0.763 1011 P CB 0.444 32.019 31.700 -0.208 0.000 0.810 1012 K N 1.382 121.709 120.400 -0.122 0.000 2.362 1012 K HA -0.120 4.200 4.320 -0.000 0.000 0.200 1012 K C 1.448 177.996 176.600 -0.087 0.000 1.046 1012 K CA 0.861 57.108 56.287 -0.066 0.000 0.952 1012 K CB -0.282 32.196 32.500 -0.037 0.000 0.753 1012 K HN 0.385 nan 8.250 nan 0.000 0.466 1013 D N 0.521 120.861 120.400 -0.100 0.000 2.309 1013 D HA -0.105 4.535 4.640 -0.000 0.000 0.212 1013 D C -0.149 176.072 176.300 -0.133 0.000 0.968 1013 D CA 0.215 54.154 54.000 -0.102 0.000 0.882 1013 D CB -0.011 40.746 40.800 -0.071 0.000 0.918 1013 D HN -0.006 nan 8.370 nan 0.000 0.503 1014 L N 1.397 122.535 121.223 -0.142 0.000 2.654 1014 L HA -0.006 4.334 4.340 -0.000 0.000 0.271 1014 L C 0.535 177.280 176.870 -0.209 0.000 1.169 1014 L CA 0.551 55.316 54.840 -0.125 0.000 0.947 1014 L CB 0.528 42.527 42.059 -0.100 0.000 1.232 1014 L HN -0.213 nan 8.230 nan 0.000 0.486 1015 D N 2.383 122.691 120.400 -0.153 0.000 2.277 1015 D HA 0.094 4.734 4.640 -0.000 0.000 0.209 1015 D C -0.082 176.167 176.300 -0.085 0.000 0.970 1015 D CA 0.792 54.686 54.000 -0.177 0.000 0.874 1015 D CB 0.251 40.986 40.800 -0.109 0.000 0.982 1015 D HN 0.557 nan 8.370 nan 0.000 0.504 1016 N N -0.908 117.780 118.700 -0.021 0.000 2.555 1016 N HA 0.342 5.082 4.740 -0.000 0.000 0.265 1016 N C -1.998 173.531 175.510 0.031 0.000 1.135 1016 N CA -0.476 52.587 53.050 0.021 0.000 0.925 1016 N CB 1.460 39.952 38.487 0.008 0.000 1.662 1016 N HN -0.087 nan 8.380 nan 0.000 0.489 1017 S N 0.887 116.613 115.700 0.043 0.000 2.537 1017 S HA 0.857 5.327 4.470 -0.000 0.000 0.271 1017 S C -1.395 173.236 174.600 0.052 0.000 1.148 1017 S CA -0.867 57.359 58.200 0.042 0.000 0.868 1017 S CB 1.183 64.406 63.200 0.038 0.000 1.115 1017 S HN 0.770 nan 8.310 nan 0.000 0.461 1018 A N 2.028 124.883 122.820 0.058 0.000 2.276 1018 A HA 0.763 5.083 4.320 -0.000 0.000 0.316 1018 A C -0.495 177.114 177.584 0.042 0.000 1.229 1018 A CA -0.688 51.404 52.037 0.091 0.000 0.851 1018 A CB 0.524 19.596 19.000 0.120 0.000 1.165 1018 A HN 1.101 nan 8.150 nan 0.000 0.513 1019 V N 1.708 121.625 119.914 0.004 0.000 2.628 1019 V HA 0.715 4.835 4.120 -0.000 0.000 0.306 1019 V C 0.333 176.392 176.094 -0.058 0.000 1.045 1019 V CA -0.415 61.864 62.300 -0.034 0.000 0.905 1019 V CB 1.974 33.762 31.823 -0.058 0.000 0.997 1019 V HN 0.940 nan 8.190 nan 0.000 0.436 1020 T N 4.860 119.392 114.554 -0.038 0.000 2.876 1020 T HA 0.780 5.130 4.350 -0.000 0.000 0.289 1020 T C -1.015 173.726 174.700 0.070 0.000 1.014 1020 T CA -0.340 61.764 62.100 0.006 0.000 0.986 1020 T CB 0.883 69.813 68.868 0.103 0.000 1.021 1020 T HN 0.459 nan 8.240 nan 0.000 0.458 1021 I N 2.892 123.475 120.570 0.021 0.000 2.545 1021 I HA 0.791 4.961 4.170 -0.000 0.000 0.292 1021 I C 0.466 176.628 176.117 0.075 0.000 1.040 1021 I CA -0.765 60.565 61.300 0.050 0.000 1.068 1021 I CB 2.194 40.137 38.000 -0.095 0.000 1.251 1021 I HN 0.891 nan 8.210 nan 0.000 0.424 1022 G N 3.066 111.992 108.800 0.210 0.000 2.325 1022 G HA2 0.275 4.235 3.960 -0.000 0.000 0.297 1022 G HA3 0.275 4.235 3.960 -0.000 0.000 0.297 1022 G C -0.158 174.830 174.900 0.146 0.000 1.448 1022 G CA -0.651 44.452 45.100 0.005 0.000 0.838 1022 G HN 0.278 nan 8.290 nan 0.000 0.579 1023 V N -0.048 119.946 119.914 0.133 0.000 2.427 1023 V HA 0.060 4.180 4.120 -0.000 0.000 0.248 1023 V C 1.843 177.956 176.094 0.032 0.000 1.051 1023 V CA 2.118 64.510 62.300 0.154 0.000 1.048 1023 V CB -1.221 30.617 31.823 0.026 0.000 0.666 1023 V HN 1.041 nan 8.190 nan 0.000 0.456 1024 F N -0.095 119.675 119.950 -0.301 0.000 3.093 1024 F HA -0.194 4.333 4.527 -0.000 0.000 0.287 1024 F C 0.427 175.973 175.800 -0.424 0.000 0.882 1024 F CA 0.769 58.288 58.000 -0.801 0.000 1.063 1024 F CB -1.830 36.867 39.000 -0.505 0.000 1.097 1024 F HN 0.278 nan 8.300 nan 0.000 0.604 1025 D N 0.400 120.809 120.400 0.015 0.000 2.358 1025 D HA 0.433 5.073 4.640 -0.000 0.000 0.258 1025 D C 1.186 177.625 176.300 0.231 0.000 1.223 1025 D CA 1.748 55.836 54.000 0.146 0.000 0.886 1025 D CB 0.552 41.477 40.800 0.208 0.000 1.120 1025 D HN 0.532 nan 8.370 nan 0.000 0.482 1026 G N 2.507 111.413 108.800 0.177 0.000 2.254 1026 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.225 1026 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.225 1026 G C 0.674 175.710 174.900 0.227 0.000 1.003 1026 G CA -0.146 45.083 45.100 0.215 0.000 0.622 1026 G HN 1.321 nan 8.290 nan 0.000 0.507 1027 V N 2.012 122.077 119.914 0.251 0.000 5.726 1027 V HA -0.215 3.905 4.120 -0.000 0.000 0.260 1027 V C 1.090 177.308 176.094 0.207 0.000 0.657 1027 V CA 2.175 64.627 62.300 0.252 0.000 0.584 1027 V CB -2.598 29.323 31.823 0.164 0.000 0.241 1027 V HN 1.662 nan 8.190 nan 0.000 0.652 1028 H N 0.289 119.539 119.070 0.300 0.000 2.408 1028 H HA 0.573 5.129 4.556 -0.000 0.000 0.352 1028 H C 1.258 176.542 175.328 -0.073 0.000 1.607 1028 H CA -0.257 55.810 56.048 0.033 0.000 1.445 1028 H CB 0.335 30.055 29.762 -0.070 0.000 1.664 1028 H HN 0.140 nan 8.280 nan 0.000 0.605 1029 R N -0.473 120.105 120.500 0.131 0.000 2.120 1029 R HA -0.067 4.273 4.340 -0.000 0.000 0.234 1029 R C 2.360 178.676 176.300 0.027 0.000 1.123 1029 R CA 1.334 57.428 56.100 -0.011 0.000 0.975 1029 R CB -0.561 29.655 30.300 -0.140 0.000 0.866 1029 R HN 0.885 nan 8.270 nan 0.000 0.446 1030 G N -0.264 108.634 108.800 0.163 0.000 2.402 1030 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.216 1030 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.216 1030 G C 0.889 175.852 174.900 0.106 0.000 1.162 1030 G CA 0.777 45.940 45.100 0.104 0.000 0.777 1030 G HN 0.428 nan 8.290 nan 0.000 0.539 1031 H N -0.056 119.059 119.070 0.076 0.000 2.387 1031 H HA -0.032 4.524 4.556 -0.000 0.000 0.299 1031 H C 2.866 178.197 175.328 0.006 0.000 1.090 1031 H CA 1.266 57.332 56.048 0.030 0.000 1.332 1031 H CB 0.140 29.873 29.762 -0.047 0.000 1.386 1031 H HN 0.374 nan 8.280 nan 0.000 0.516 1032 Q N 0.574 120.346 119.800 -0.046 0.000 2.170 1032 Q HA -0.127 4.213 4.340 -0.000 0.000 0.203 1032 Q C 1.948 177.866 176.000 -0.136 0.000 0.976 1032 Q CA 0.814 56.439 55.803 -0.298 0.000 0.858 1032 Q CB 0.203 28.645 28.738 -0.494 0.000 0.907 1032 Q HN 0.317 nan 8.270 nan 0.000 0.433 1033 K N 0.729 121.106 120.400 -0.038 0.000 2.057 1033 K HA -0.118 4.202 4.320 -0.000 0.000 0.207 1033 K C 2.081 178.699 176.600 0.029 0.000 1.049 1033 K CA 1.061 57.347 56.287 -0.003 0.000 0.931 1033 K CB -0.391 32.117 32.500 0.014 0.000 0.714 1033 K HN 0.282 nan 8.250 nan 0.000 0.440 1034 L N 0.438 121.708 121.223 0.078 0.000 2.017 1034 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 1034 L C 2.534 179.450 176.870 0.076 0.000 1.073 1034 L CA 1.109 56.016 54.840 0.111 0.000 0.745 1034 L CB -0.548 41.644 42.059 0.222 0.000 0.894 1034 L HN 0.055 nan 8.230 nan 0.000 0.432 1035 I N 0.001 120.590 120.570 0.032 0.000 2.179 1035 I HA -0.270 3.900 4.170 -0.000 0.000 0.242 1035 I C 2.310 178.415 176.117 -0.020 0.000 1.088 1035 I CA 1.062 62.332 61.300 -0.051 0.000 1.357 1035 I CB -0.479 37.430 38.000 -0.150 0.000 1.051 1035 I HN 0.319 nan 8.210 nan 0.000 0.409 1036 N N 1.302 119.986 118.700 -0.026 0.000 2.069 1036 N HA -0.184 4.556 4.740 -0.000 0.000 0.191 1036 N C 1.911 177.434 175.510 0.022 0.000 1.031 1036 N CA 1.811 54.864 53.050 0.005 0.000 0.852 1036 N CB -0.510 37.975 38.487 -0.004 0.000 1.018 1036 N HN 0.388 nan 8.380 nan 0.000 0.423 1037 A N 0.241 123.080 122.820 0.032 0.000 1.933 1037 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 1037 A C 2.347 179.974 177.584 0.071 0.000 1.175 1037 A CA 1.960 54.028 52.037 0.053 0.000 0.628 1037 A CB -0.917 18.128 19.000 0.075 0.000 0.814 1037 A HN 0.342 nan 8.150 nan 0.000 0.444 1038 T N -0.620 113.974 114.554 0.067 0.000 2.812 1038 T HA -0.065 4.285 4.350 -0.000 0.000 0.264 1038 T C 1.867 176.592 174.700 0.043 0.000 1.042 1038 T CA 1.415 63.561 62.100 0.077 0.000 1.140 1038 T CB -0.334 68.558 68.868 0.041 0.000 0.870 1038 T HN 0.147 nan 8.240 nan 0.000 0.445 1039 V N 1.598 121.526 119.914 0.023 0.000 2.358 1039 V HA -0.147 3.973 4.120 -0.000 0.000 0.246 1039 V C 2.501 178.601 176.094 0.011 0.000 1.047 1039 V CA 1.582 63.892 62.300 0.016 0.000 1.035 1039 V CB -0.578 31.258 31.823 0.023 0.000 0.658 1039 V HN 0.523 nan 8.190 nan 0.000 0.452 1040 E N 0.047 120.254 120.200 0.011 0.000 2.058 1040 E HA -0.296 4.054 4.350 -0.000 0.000 0.194 1040 E C 2.249 178.837 176.600 -0.020 0.000 0.997 1040 E CA 1.539 57.938 56.400 -0.001 0.000 0.801 1040 E CB -0.168 29.533 29.700 0.001 0.000 0.746 1040 E HN 0.346 nan 8.360 nan 0.000 0.450 1041 K N 1.011 121.391 120.400 -0.033 0.000 2.097 1041 K HA -0.105 4.215 4.320 -0.000 0.000 0.206 1041 K C 1.811 178.381 176.600 -0.049 0.000 1.049 1041 K CA 1.385 57.622 56.287 -0.085 0.000 0.933 1041 K CB -0.366 32.029 32.500 -0.174 0.000 0.717 1041 K HN 0.117 nan 8.250 nan 0.000 0.442 1042 A N 0.789 123.602 122.820 -0.012 0.000 1.902 1042 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 1042 A C 2.249 179.828 177.584 -0.009 0.000 1.181 1042 A CA 1.655 53.691 52.037 -0.002 0.000 0.623 1042 A CB -0.574 18.432 19.000 0.010 0.000 0.818 1042 A HN 0.349 nan 8.150 nan 0.000 0.443 1043 R N -0.364 120.130 120.500 -0.010 0.000 2.075 1043 R HA -0.167 4.173 4.340 -0.000 0.000 0.232 1043 R C 2.072 178.363 176.300 -0.016 0.000 1.126 1043 R CA 1.791 57.884 56.100 -0.011 0.000 0.963 1043 R CB -0.267 30.029 30.300 -0.008 0.000 0.858 1043 R HN 0.583 nan 8.270 nan 0.000 0.435 1044 E N -0.025 120.160 120.200 -0.025 0.000 2.049 1044 E HA -0.135 4.214 4.350 -0.000 0.000 0.198 1044 E C 0.756 177.340 176.600 -0.028 0.000 1.007 1044 E CA 1.649 58.031 56.400 -0.030 0.000 0.809 1044 E CB 0.041 29.712 29.700 -0.048 0.000 0.749 1044 E HN 0.122 nan 8.360 nan 0.000 0.450 1045 V N -1.447 118.449 119.914 -0.029 0.000 3.700 1045 V HA 0.426 4.546 4.120 -0.000 0.000 0.277 1045 V C 1.006 177.091 176.094 -0.014 0.000 1.067 1045 V CA -0.227 62.060 62.300 -0.022 0.000 0.897 1045 V CB 1.084 32.893 31.823 -0.023 0.000 1.231 1045 V HN 0.265 nan 8.190 nan 0.000 0.425 1046 G N -0.248 108.545 108.800 -0.011 0.000 4.190 1046 G HA2 0.653 4.613 3.960 -0.000 0.000 0.328 1046 G HA3 0.653 4.613 3.960 -0.000 0.000 0.328 1046 G C -0.404 174.494 174.900 -0.004 0.000 1.364 1046 G CA 0.476 45.571 45.100 -0.008 0.000 1.259 1046 G HN 0.982 nan 8.290 nan 0.000 0.525 1047 A N 1.567 124.387 122.820 0.000 0.000 2.454 1047 A HA 0.803 5.123 4.320 -0.000 0.000 0.302 1047 A C -0.112 177.480 177.584 0.014 0.000 1.079 1047 A CA -0.863 51.179 52.037 0.009 0.000 0.731 1047 A CB 1.704 20.713 19.000 0.015 0.000 1.299 1047 A HN 0.350 nan 8.150 nan 0.000 0.413 1048 K N 0.885 121.301 120.400 0.026 0.000 2.249 1048 K HA 0.498 4.818 4.320 -0.000 0.000 0.280 1048 K C -0.035 176.585 176.600 0.032 0.000 1.033 1048 K CA -0.032 56.276 56.287 0.035 0.000 0.946 1048 K CB 1.449 33.991 32.500 0.069 0.000 1.005 1048 K HN 0.739 nan 8.250 nan 0.000 0.469 1049 A N 4.726 127.555 122.820 0.015 0.000 2.269 1049 A HA 0.390 4.710 4.320 -0.000 0.000 0.302 1049 A C -0.231 177.347 177.584 -0.010 0.000 1.266 1049 A CA -0.507 51.533 52.037 0.004 0.000 0.894 1049 A CB -0.139 18.855 19.000 -0.009 0.000 1.147 1049 A HN 0.682 nan 8.150 nan 0.000 0.537 1050 I N 2.967 123.535 120.570 -0.003 0.000 2.433 1050 I HA 0.354 4.524 4.170 -0.000 0.000 0.292 1050 I C -0.010 176.069 176.117 -0.064 0.000 1.001 1050 I CA -0.314 60.983 61.300 -0.003 0.000 1.119 1050 I CB 2.030 40.076 38.000 0.078 0.000 1.289 1050 I HN 0.746 nan 8.210 nan 0.000 0.438 1051 M N 7.149 126.675 119.600 -0.124 0.000 2.129 1051 M HA 0.468 4.948 4.480 -0.000 0.000 0.348 1051 M C -1.603 174.613 176.300 -0.141 0.000 1.116 1051 M CA -0.581 54.608 55.300 -0.185 0.000 1.022 1051 M CB 1.343 33.734 32.600 -0.347 0.000 1.599 1051 M HN 0.297 nan 8.290 nan 0.000 0.449 1052 V N 4.881 124.725 119.914 -0.117 0.000 2.364 1052 V HA 0.448 4.568 4.120 -0.000 0.000 0.272 1052 V C 0.181 176.052 176.094 -0.372 0.000 1.036 1052 V CA -0.203 61.967 62.300 -0.215 0.000 0.880 1052 V CB 1.158 32.871 31.823 -0.184 0.000 0.991 1052 V HN 0.982 nan 8.190 nan 0.000 0.460 1053 T N 4.677 118.929 114.554 -0.505 0.000 2.858 1053 T HA 0.797 5.147 4.350 -0.000 0.000 0.285 1053 T C -1.571 172.617 174.700 -0.853 0.000 1.052 1053 T CA -0.374 61.368 62.100 -0.597 0.000 1.009 1053 T CB 1.299 70.089 68.868 -0.130 0.000 1.241 1053 T HN 0.248 nan 8.240 nan 0.000 0.542 1054 F N 1.322 121.266 119.950 -0.009 0.000 2.539 1054 F HA 0.618 5.145 4.527 -0.000 0.000 0.318 1054 F C -0.385 175.400 175.800 -0.025 0.000 1.135 1054 F CA -0.947 57.000 58.000 -0.087 0.000 0.915 1054 F CB 1.981 40.907 39.000 -0.123 0.000 1.176 1054 F HN 0.456 nan 8.300 nan 0.000 0.440 1055 D N 4.141 124.640 120.400 0.165 0.000 2.966 1055 D HA 0.392 5.032 4.640 -0.000 0.000 0.222 1055 D C -2.790 173.609 176.300 0.165 0.000 1.292 1055 D CA -1.574 52.524 54.000 0.163 0.000 0.907 1055 D CB 2.580 43.473 40.800 0.156 0.000 1.621 1055 D HN 0.063 nan 8.370 nan 0.000 0.557 1056 P HA 0.045 nan 4.420 nan 0.000 0.274 1056 P C -0.234 177.211 177.300 0.242 0.000 1.260 1056 P CA -0.327 62.887 63.100 0.190 0.000 0.793 1056 P CB 0.423 32.229 31.700 0.176 0.000 1.048 1057 H N 1.344 120.515 119.070 0.168 0.000 3.034 1057 H HA 0.001 4.557 4.556 -0.000 0.000 0.324 1057 H C -1.391 174.069 175.328 0.220 0.000 1.015 1057 H CA -0.764 55.395 56.048 0.184 0.000 1.429 1057 H CB 0.302 30.146 29.762 0.137 0.000 1.429 1057 H HN 0.158 nan 8.280 nan 0.000 0.585 1058 P HA -0.188 nan 4.420 nan 0.000 0.217 1058 P C 1.717 179.251 177.300 0.390 0.000 1.148 1058 P CA 0.777 64.084 63.100 0.344 0.000 0.828 1058 P CB 0.297 32.093 31.700 0.161 0.000 0.783 1059 V N 0.334 120.532 119.914 0.473 0.000 2.407 1059 V HA -0.239 3.880 4.120 -0.000 0.000 0.248 1059 V C 2.545 178.802 176.094 0.272 0.000 1.055 1059 V CA 2.428 64.895 62.300 0.278 0.000 1.049 1059 V CB -1.605 30.301 31.823 0.139 0.000 0.662 1059 V HN 0.311 nan 8.190 nan 0.000 0.455 1060 S N -0.445 115.419 115.700 0.272 0.000 2.447 1060 S HA -0.109 4.361 4.470 -0.000 0.000 0.233 1060 S C 1.861 176.581 174.600 0.199 0.000 1.006 1060 S CA 1.378 59.696 58.200 0.197 0.000 0.957 1060 S CB -0.244 63.061 63.200 0.175 0.000 0.773 1060 S HN 0.330 nan 8.310 nan 0.000 0.507 1061 V N 0.521 120.589 119.914 0.258 0.000 2.515 1061 V HA -0.035 4.085 4.120 -0.000 0.000 0.250 1061 V C 2.041 178.167 176.094 0.053 0.000 1.058 1061 V CA 1.702 64.099 62.300 0.161 0.000 1.064 1061 V CB -0.940 30.996 31.823 0.188 0.000 0.675 1061 V HN 0.518 nan 8.190 nan 0.000 0.461 1062 F N -0.845 119.134 119.950 0.048 0.000 2.262 1062 F HA 0.238 4.765 4.527 -0.000 0.000 0.292 1062 F C 1.094 176.907 175.800 0.021 0.000 1.081 1062 F CA 0.809 58.821 58.000 0.019 0.000 1.355 1062 F CB 0.278 39.278 39.000 -0.000 0.000 1.069 1062 F HN -0.036 nan 8.300 nan 0.000 0.506 1063 L N 1.321 122.682 121.223 0.230 0.000 2.495 1063 L HA 0.358 4.698 4.340 -0.000 0.000 0.248 1063 L C -2.626 174.302 176.870 0.096 0.000 1.229 1063 L CA -2.011 52.906 54.840 0.128 0.000 0.942 1063 L CB 0.638 42.756 42.059 0.099 0.000 1.242 1063 L HN -0.286 nan 8.230 nan 0.000 0.484 1064 P HA 0.003 nan 4.420 nan 0.000 0.261 1064 P C 0.200 177.533 177.300 0.055 0.000 1.173 1064 P CA 0.280 63.421 63.100 0.069 0.000 0.760 1064 P CB 0.352 32.084 31.700 0.054 0.000 0.783 1065 R N 1.185 121.718 120.500 0.055 0.000 3.863 1065 R HA -0.238 4.102 4.340 -0.000 0.000 0.313 1065 R C 0.310 176.630 176.300 0.033 0.000 1.202 1065 R CA 0.845 56.971 56.100 0.044 0.000 0.852 1065 R CB -1.554 28.771 30.300 0.041 0.000 1.292 1065 R HN 0.551 nan 8.270 nan 0.000 0.519 1066 R N -0.604 119.914 120.500 0.030 0.000 2.600 1066 R HA 0.326 4.666 4.340 -0.000 0.000 0.392 1066 R C 0.102 176.394 176.300 -0.014 0.000 1.032 1066 R CA 0.351 56.458 56.100 0.012 0.000 1.139 1066 R CB 1.290 31.601 30.300 0.019 0.000 1.400 1066 R HN 0.205 nan 8.270 nan 0.000 0.566 1067 A N 1.886 124.692 122.820 -0.024 0.000 2.313 1067 A HA 0.489 4.809 4.320 -0.000 0.000 0.261 1067 A C -2.081 175.411 177.584 -0.154 0.000 1.090 1067 A CA -1.121 50.846 52.037 -0.116 0.000 0.807 1067 A CB -0.049 18.896 19.000 -0.092 0.000 1.055 1067 A HN -0.048 nan 8.150 nan 0.000 0.492 1068 P HA 0.248 nan 4.420 nan 0.000 0.269 1068 P C -0.581 176.661 177.300 -0.096 0.000 1.215 1068 P CA -0.163 62.832 63.100 -0.175 0.000 0.780 1068 P CB 0.244 31.818 31.700 -0.210 0.000 0.898 1069 L N 1.036 122.237 121.223 -0.037 0.000 2.485 1069 L HA 0.193 4.533 4.340 -0.000 0.000 0.275 1069 L C 1.424 178.314 176.870 0.033 0.000 1.207 1069 L CA -0.114 54.730 54.840 0.006 0.000 0.855 1069 L CB -0.183 41.880 42.059 0.006 0.000 1.114 1069 L HN 0.487 nan 8.230 nan 0.000 0.485 1070 G N 3.032 111.868 108.800 0.061 0.000 2.356 1070 G HA2 0.278 4.238 3.960 -0.000 0.000 0.273 1070 G HA3 0.278 4.238 3.960 -0.000 0.000 0.273 1070 G C 0.903 175.859 174.900 0.093 0.000 1.213 1070 G CA -0.431 44.720 45.100 0.086 0.000 0.955 1070 G HN 0.708 nan 8.290 nan 0.000 0.454 1071 I N 1.441 122.080 120.570 0.115 0.000 2.226 1071 I HA -0.047 4.123 4.170 -0.000 0.000 0.245 1071 I C 1.902 178.110 176.117 0.151 0.000 1.100 1071 I CA 1.496 62.895 61.300 0.164 0.000 1.374 1071 I CB -0.143 37.966 38.000 0.181 0.000 1.057 1071 I HN 0.579 nan 8.210 nan 0.000 0.413 1072 T N -2.510 112.080 114.554 0.060 0.000 2.887 1072 T HA 0.434 4.784 4.350 -0.000 0.000 0.292 1072 T C 0.065 174.756 174.700 -0.016 0.000 1.087 1072 T CA -0.633 61.444 62.100 -0.039 0.000 1.009 1072 T CB 1.695 70.507 68.868 -0.093 0.000 1.203 1072 T HN 0.155 nan 8.240 nan 0.000 0.518 1073 T N 0.226 114.760 114.554 -0.034 0.000 2.766 1073 T HA 0.277 4.627 4.350 -0.000 0.000 0.295 1073 T C 1.309 175.944 174.700 -0.108 0.000 1.024 1073 T CA -0.625 61.459 62.100 -0.027 0.000 1.018 1073 T CB 0.425 69.297 68.868 0.006 0.000 1.002 1073 T HN 0.569 nan 8.240 nan 0.000 0.532 1074 L N 1.458 122.587 121.223 -0.156 0.000 2.083 1074 L HA 0.105 4.445 4.340 -0.000 0.000 0.209 1074 L C 2.737 179.205 176.870 -0.669 0.000 1.083 1074 L CA 2.229 56.833 54.840 -0.393 0.000 0.752 1074 L CB -1.521 40.341 42.059 -0.329 0.000 0.899 1074 L HN 0.936 nan 8.230 nan 0.000 0.433 1075 A N -0.912 121.720 122.820 -0.314 0.000 1.902 1075 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 1075 A C 2.136 179.693 177.584 -0.046 0.000 1.181 1075 A CA 1.700 53.671 52.037 -0.111 0.000 0.623 1075 A CB -0.530 18.503 19.000 0.056 0.000 0.818 1075 A HN 0.494 nan 8.150 nan 0.000 0.443 1076 E N -0.530 119.645 120.200 -0.042 0.000 2.208 1076 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 1076 E C 2.082 178.679 176.600 -0.005 0.000 0.988 1076 E CA 0.715 57.131 56.400 0.028 0.000 0.828 1076 E CB -0.360 29.355 29.700 0.025 0.000 0.763 1076 E HN 0.671 nan 8.360 nan 0.000 0.478 1077 R N -0.149 120.278 120.500 -0.122 0.000 2.081 1077 R HA -0.121 4.219 4.340 -0.000 0.000 0.235 1077 R C 2.040 178.322 176.300 -0.031 0.000 1.131 1077 R CA 1.000 57.035 56.100 -0.109 0.000 0.960 1077 R CB -0.143 30.041 30.300 -0.193 0.000 0.856 1077 R HN 0.055 nan 8.270 nan 0.000 0.436 1078 F N 0.675 120.600 119.950 -0.042 0.000 2.102 1078 F HA -0.092 4.435 4.527 -0.000 0.000 0.298 1078 F C 2.585 178.345 175.800 -0.066 0.000 1.105 1078 F CA 0.950 58.900 58.000 -0.084 0.000 1.239 1078 F CB -1.302 37.646 39.000 -0.086 0.000 0.991 1078 F HN 0.125 nan 8.300 nan 0.000 0.474 1079 A N 0.332 123.253 122.820 0.168 0.000 1.883 1079 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 1079 A C 2.361 179.970 177.584 0.043 0.000 1.186 1079 A CA 1.743 53.830 52.037 0.083 0.000 0.624 1079 A CB -1.210 17.845 19.000 0.091 0.000 0.822 1079 A HN 0.389 nan 8.150 nan 0.000 0.444 1080 L N -0.950 120.320 121.223 0.080 0.000 2.056 1080 L HA -0.169 4.170 4.340 -0.000 0.000 0.207 1080 L C 3.132 180.084 176.870 0.136 0.000 1.078 1080 L CA 1.000 55.903 54.840 0.105 0.000 0.749 1080 L CB -0.573 41.607 42.059 0.203 0.000 0.901 1080 L HN 0.439 nan 8.230 nan 0.000 0.433 1081 A N -0.095 122.778 122.820 0.087 0.000 1.883 1081 A HA -0.303 4.017 4.320 -0.000 0.000 0.217 1081 A C 2.270 179.860 177.584 0.010 0.000 1.186 1081 A CA 2.135 54.190 52.037 0.030 0.000 0.624 1081 A CB -0.642 18.318 19.000 -0.067 0.000 0.822 1081 A HN 0.499 nan 8.150 nan 0.000 0.444 1082 E N 0.290 120.473 120.200 -0.029 0.000 2.085 1082 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 1082 E C 2.141 178.685 176.600 -0.093 0.000 0.994 1082 E CA 1.681 58.040 56.400 -0.068 0.000 0.801 1082 E CB -0.164 29.492 29.700 -0.074 0.000 0.743 1082 E HN 0.741 nan 8.360 nan 0.000 0.453 1083 S N -0.532 115.076 115.700 -0.152 0.000 2.442 1083 S HA -0.119 4.351 4.470 -0.000 0.000 0.236 1083 S C 1.331 175.681 174.600 -0.418 0.000 1.007 1083 S CA 0.665 58.678 58.200 -0.311 0.000 0.965 1083 S CB -0.330 62.601 63.200 -0.448 0.000 0.773 1083 S HN 0.274 nan 8.310 nan 0.000 0.504 1084 F N 1.832 121.757 119.950 -0.042 0.000 2.693 1084 F HA 0.474 5.001 4.527 -0.000 0.000 0.303 1084 F C 1.837 177.606 175.800 -0.053 0.000 1.097 1084 F CA -0.336 57.639 58.000 -0.042 0.000 1.330 1084 F CB 0.125 39.098 39.000 -0.044 0.000 1.067 1084 F HN 0.387 nan 8.300 nan 0.000 0.565 1085 G N 0.478 109.305 108.800 0.045 0.000 2.141 1085 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.231 1085 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.231 1085 G C 0.202 175.092 174.900 -0.015 0.000 0.984 1085 G CA -0.522 44.582 45.100 0.007 0.000 0.660 1085 G HN 0.087 nan 8.290 nan 0.000 0.525 1086 I N 1.481 122.032 120.570 -0.031 0.000 2.618 1086 I HA 0.134 4.304 4.170 -0.000 0.000 0.284 1086 I C 0.868 176.923 176.117 -0.104 0.000 1.146 1086 I CA 0.213 61.466 61.300 -0.078 0.000 1.425 1086 I CB 0.837 38.764 38.000 -0.122 0.000 1.383 1086 I HN 0.070 nan 8.210 nan 0.000 0.562 1087 D N 4.308 124.649 120.400 -0.098 0.000 2.327 1087 D HA 0.138 4.778 4.640 -0.000 0.000 0.205 1087 D C 0.914 177.093 176.300 -0.201 0.000 0.989 1087 D CA 0.580 54.516 54.000 -0.107 0.000 0.873 1087 D CB 1.032 41.808 40.800 -0.040 0.000 0.955 1087 D HN 0.693 nan 8.370 nan 0.000 0.515 1088 G N 0.040 108.690 108.800 -0.251 0.000 2.746 1088 G HA2 0.469 4.429 3.960 -0.000 0.000 0.297 1088 G HA3 0.469 4.429 3.960 -0.000 0.000 0.297 1088 G C -1.419 173.197 174.900 -0.473 0.000 1.426 1088 G CA -0.375 44.372 45.100 -0.590 0.000 0.989 1088 G HN -0.084 nan 8.290 nan 0.000 0.520 1089 V N 2.190 121.709 119.914 -0.659 0.000 2.409 1089 V HA 0.494 4.614 4.120 -0.000 0.000 0.291 1089 V C -0.495 175.409 176.094 -0.317 0.000 1.020 1089 V CA -0.812 61.252 62.300 -0.393 0.000 0.848 1089 V CB 1.429 33.051 31.823 -0.335 0.000 0.990 1089 V HN 0.717 nan 8.190 nan 0.000 0.430 1090 L N 7.322 128.507 121.223 -0.064 0.000 2.257 1090 L HA 0.586 4.926 4.340 -0.000 0.000 0.290 1090 L C -0.315 176.475 176.870 -0.133 0.000 1.044 1090 L CA 0.158 55.014 54.840 0.027 0.000 0.810 1090 L CB 1.438 43.545 42.059 0.080 0.000 1.193 1090 L HN 0.434 nan 8.230 nan 0.000 0.425 1091 V N 6.861 126.680 119.914 -0.158 0.000 2.364 1091 V HA 0.379 4.499 4.120 -0.000 0.000 0.272 1091 V C 0.251 176.315 176.094 -0.049 0.000 1.036 1091 V CA -0.519 61.707 62.300 -0.123 0.000 0.880 1091 V CB 1.046 32.801 31.823 -0.113 0.000 0.991 1091 V HN 0.514 nan 8.190 nan 0.000 0.460 1092 I N 4.027 124.526 120.570 -0.118 0.000 2.359 1092 I HA 0.372 4.542 4.170 -0.000 0.000 0.294 1092 I C -0.033 176.070 176.117 -0.024 0.000 0.987 1092 I CA -0.264 60.997 61.300 -0.064 0.000 1.225 1092 I CB 1.599 39.539 38.000 -0.101 0.000 1.366 1092 I HN 0.572 nan 8.210 nan 0.000 0.466 1093 D N 5.548 125.969 120.400 0.035 0.000 2.373 1093 D HA 0.197 4.837 4.640 -0.000 0.000 0.227 1093 D C 0.581 176.949 176.300 0.113 0.000 1.091 1093 D CA -0.404 53.644 54.000 0.081 0.000 0.840 1093 D CB 0.803 41.680 40.800 0.128 0.000 1.060 1093 D HN 0.191 nan 8.370 nan 0.000 0.502 1094 F N 1.348 121.421 119.950 0.205 0.000 2.546 1094 F HA -0.081 4.445 4.527 -0.000 0.000 0.298 1094 F C 2.599 178.459 175.800 0.101 0.000 1.120 1094 F CA 1.024 59.120 58.000 0.160 0.000 1.456 1094 F CB -0.543 38.538 39.000 0.133 0.000 1.088 1094 F HN 0.439 nan 8.300 nan 0.000 0.572 1095 T N -2.939 111.762 114.554 0.245 0.000 3.118 1095 T HA -0.051 4.299 4.350 -0.000 0.000 0.260 1095 T C 1.970 176.748 174.700 0.129 0.000 1.139 1095 T CA 0.718 62.904 62.100 0.144 0.000 1.085 1095 T CB -0.008 68.921 68.868 0.102 0.000 0.934 1095 T HN 0.136 nan 8.240 nan 0.000 0.518 1096 R N 1.988 122.583 120.500 0.157 0.000 2.142 1096 R HA 0.299 4.639 4.340 -0.000 0.000 0.204 1096 R C 0.505 176.906 176.300 0.168 0.000 1.059 1096 R CA 0.709 56.892 56.100 0.138 0.000 1.055 1096 R CB 0.431 30.808 30.300 0.129 0.000 0.976 1096 R HN 0.760 nan 8.270 nan 0.000 0.483 1097 E N -1.081 119.259 120.200 0.233 0.000 2.429 1097 E HA 0.229 4.579 4.350 -0.000 0.000 0.280 1097 E C -0.566 176.287 176.600 0.420 0.000 1.068 1097 E CA -0.513 56.058 56.400 0.285 0.000 0.837 1097 E CB 0.589 30.474 29.700 0.307 0.000 1.357 1097 E HN -0.054 nan 8.360 nan 0.000 0.455 1098 L N -0.232 121.252 121.223 0.435 0.000 4.040 1098 L HA -0.266 4.074 4.340 -0.000 0.000 0.410 1098 L C 0.846 178.055 176.870 0.564 0.000 1.187 1098 L CA 0.852 56.028 54.840 0.560 0.000 0.956 1098 L CB -1.817 40.608 42.059 0.611 0.000 2.022 1098 L HN 0.712 nan 8.230 nan 0.000 0.897 1099 S N -0.710 115.194 115.700 0.340 0.000 2.655 1099 S HA 0.220 4.690 4.470 -0.000 0.000 0.231 1099 S C 1.695 176.325 174.600 0.049 0.000 1.044 1099 S CA 0.737 59.007 58.200 0.116 0.000 0.910 1099 S CB 0.313 63.585 63.200 0.120 0.000 0.833 1099 S HN 0.549 nan 8.310 nan 0.000 0.581 1100 G N 1.093 109.936 108.800 0.071 0.000 2.572 1100 G HA2 0.083 4.043 3.960 -0.000 0.000 0.216 1100 G HA3 0.083 4.043 3.960 -0.000 0.000 0.216 1100 G C 0.514 175.453 174.900 0.065 0.000 1.133 1100 G CA 0.423 45.547 45.100 0.041 0.000 0.791 1100 G HN 0.480 nan 8.290 nan 0.000 0.538 1101 T N 1.667 116.298 114.554 0.129 0.000 2.946 1101 T HA 0.306 4.655 4.350 -0.000 0.000 0.312 1101 T C 1.036 175.824 174.700 0.147 0.000 1.066 1101 T CA 0.379 62.578 62.100 0.166 0.000 1.138 1101 T CB 0.958 70.002 68.868 0.294 0.000 1.014 1101 T HN 0.405 nan 8.240 nan 0.000 0.544 1102 S N 3.579 119.352 115.700 0.121 0.000 2.600 1102 S HA 0.216 4.686 4.470 -0.000 0.000 0.265 1102 S C -1.725 172.972 174.600 0.162 0.000 1.325 1102 S CA -1.317 56.933 58.200 0.084 0.000 1.002 1102 S CB 0.665 63.900 63.200 0.059 0.000 0.921 1102 S HN 0.334 nan 8.310 nan 0.000 0.554 1103 P HA -0.095 nan 4.420 nan 0.000 0.216 1103 P C 0.988 178.532 177.300 0.406 0.000 1.150 1103 P CA 1.362 64.587 63.100 0.208 0.000 0.843 1103 P CB -0.005 31.630 31.700 -0.109 0.000 0.787 1104 E N -0.335 120.006 120.200 0.236 0.000 2.046 1104 E HA -0.118 4.232 4.350 -0.000 0.000 0.190 1104 E C 1.865 178.598 176.600 0.221 0.000 0.982 1104 E CA 1.210 57.734 56.400 0.208 0.000 0.800 1104 E CB -0.596 29.180 29.700 0.126 0.000 0.756 1104 E HN 0.235 nan 8.360 nan 0.000 0.449 1105 K N -0.541 119.987 120.400 0.213 0.000 2.211 1105 K HA -0.114 4.206 4.320 -0.000 0.000 0.203 1105 K C 1.956 178.738 176.600 0.303 0.000 1.050 1105 K CA 0.766 57.176 56.287 0.205 0.000 0.945 1105 K CB -0.149 32.439 32.500 0.147 0.000 0.732 1105 K HN 0.161 nan 8.250 nan 0.000 0.451 1106 Y N 1.017 121.463 120.300 0.243 0.000 2.145 1106 Y HA -0.284 4.266 4.550 -0.000 0.000 0.286 1106 Y C 1.943 177.949 175.900 0.177 0.000 1.145 1106 Y CA 1.304 59.570 58.100 0.277 0.000 1.148 1106 Y CB -0.101 38.586 38.460 0.379 0.000 0.981 1106 Y HN -0.246 nan 8.280 nan 0.000 0.507 1107 V N 0.660 120.788 119.914 0.357 0.000 2.358 1107 V HA -0.288 3.832 4.120 -0.000 0.000 0.246 1107 V C 2.298 178.434 176.094 0.070 0.000 1.047 1107 V CA 2.243 64.640 62.300 0.163 0.000 1.035 1107 V CB -0.700 31.223 31.823 0.166 0.000 0.658 1107 V HN 0.511 nan 8.190 nan 0.000 0.452 1108 E N -0.345 119.924 120.200 0.115 0.000 2.051 1108 E HA -0.250 4.100 4.350 -0.000 0.000 0.192 1108 E C 2.133 178.790 176.600 0.095 0.000 0.991 1108 E CA 1.616 58.068 56.400 0.087 0.000 0.799 1108 E CB -0.201 29.563 29.700 0.106 0.000 0.748 1108 E HN 0.505 nan 8.360 nan 0.000 0.449 1109 F N 0.849 120.771 119.950 -0.047 0.000 2.118 1109 F HA -0.049 4.478 4.527 -0.000 0.000 0.293 1109 F C 1.894 177.607 175.800 -0.144 0.000 1.102 1109 F CA 0.968 58.919 58.000 -0.080 0.000 1.247 1109 F CB -0.617 38.357 39.000 -0.044 0.000 1.017 1109 F HN 0.143 nan 8.300 nan 0.000 0.475 1110 L N 0.248 121.237 121.223 -0.389 0.000 1.993 1110 L HA -0.039 4.301 4.340 -0.000 0.000 0.206 1110 L C 2.127 178.780 176.870 -0.362 0.000 1.074 1110 L CA 1.891 56.407 54.840 -0.541 0.000 0.746 1110 L CB -1.066 40.627 42.059 -0.610 0.000 0.896 1110 L HN 0.182 nan 8.230 nan 0.000 0.435 1111 L N -1.060 120.018 121.223 -0.243 0.000 2.179 1111 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 1111 L C 2.357 179.120 176.870 -0.177 0.000 1.096 1111 L CA 0.947 55.683 54.840 -0.174 0.000 0.779 1111 L CB -0.367 41.629 42.059 -0.104 0.000 0.922 1111 L HN 0.378 nan 8.230 nan 0.000 0.443 1112 E N -0.260 119.835 120.200 -0.175 0.000 2.052 1112 E HA -0.102 4.248 4.350 -0.000 0.000 0.192 1112 E C 1.595 177.940 176.600 -0.424 0.000 0.958 1112 E CA 0.539 56.819 56.400 -0.200 0.000 0.835 1112 E CB 0.071 29.721 29.700 -0.085 0.000 0.811 1112 E HN 0.319 nan 8.360 nan 0.000 0.462 1113 D N 0.438 120.659 120.400 -0.299 0.000 2.117 1113 D HA -0.094 4.546 4.640 -0.000 0.000 0.197 1113 D C 1.876 177.891 176.300 -0.475 0.000 0.987 1113 D CA 1.373 55.185 54.000 -0.313 0.000 0.829 1113 D CB -0.197 40.587 40.800 -0.026 0.000 0.961 1113 D HN 0.093 nan 8.370 nan 0.000 0.460 1114 T N 0.228 114.521 114.554 -0.436 0.000 2.866 1114 T HA 0.127 4.476 4.350 -0.000 0.000 0.250 1114 T C 2.057 176.555 174.700 -0.335 0.000 1.033 1114 T CA 0.354 62.220 62.100 -0.390 0.000 1.145 1114 T CB 0.107 68.678 68.868 -0.495 0.000 0.866 1114 T HN 0.045 nan 8.240 nan 0.000 0.434 1115 L N -0.184 120.846 121.223 -0.323 0.000 2.590 1115 L HA 0.250 4.590 4.340 -0.000 0.000 0.227 1115 L C 0.020 176.867 176.870 -0.039 0.000 1.099 1115 L CA 0.053 54.790 54.840 -0.170 0.000 0.872 1115 L CB -0.259 41.709 42.059 -0.151 0.000 1.088 1115 L HN 0.429 nan 8.230 nan 0.000 0.479 1116 H N -0.036 118.978 119.070 -0.094 0.000 2.677 1116 H HA -0.128 4.428 4.556 -0.000 0.000 0.321 1116 H C 0.502 175.806 175.328 -0.040 0.000 1.171 1116 H CA 0.417 56.429 56.048 -0.059 0.000 1.139 1116 H CB -1.129 28.598 29.762 -0.058 0.000 1.515 1116 H HN 0.431 nan 8.280 nan 0.000 0.423 1117 A N 1.116 123.942 122.820 0.010 0.000 2.366 1117 A HA 0.393 4.713 4.320 -0.000 0.000 0.272 1117 A C 1.360 178.966 177.584 0.037 0.000 1.135 1117 A CA 0.177 52.222 52.037 0.015 0.000 0.804 1117 A CB 0.446 19.430 19.000 -0.027 0.000 1.064 1117 A HN 0.541 nan 8.150 nan 0.000 0.499 1118 S N 1.058 116.795 115.700 0.062 0.000 2.503 1118 S HA 0.196 4.666 4.470 -0.000 0.000 0.215 1118 S C 0.350 175.033 174.600 0.139 0.000 1.003 1118 S CA 0.603 58.850 58.200 0.078 0.000 0.910 1118 S CB -0.231 63.008 63.200 0.066 0.000 0.790 1118 S HN 0.941 nan 8.310 nan 0.000 0.514 1119 H N -0.090 118.978 119.070 -0.004 0.000 3.038 1119 H HA 0.655 5.211 4.556 -0.000 0.000 0.362 1119 H C -1.742 173.575 175.328 -0.019 0.000 1.167 1119 H CA -0.593 55.450 56.048 -0.007 0.000 1.197 1119 H CB 2.002 31.761 29.762 -0.005 0.000 1.840 1119 H HN 0.065 nan 8.280 nan 0.000 0.540 1120 V N 4.063 123.652 119.914 -0.542 0.000 2.656 1120 V HA 0.580 4.700 4.120 -0.000 0.000 0.307 1120 V C -0.715 175.076 176.094 -0.505 0.000 1.051 1120 V CA -0.914 61.153 62.300 -0.389 0.000 0.893 1120 V CB 1.780 33.454 31.823 -0.248 0.000 0.999 1120 V HN 0.564 nan 8.190 nan 0.000 0.426 1121 V N 4.534 124.278 119.914 -0.283 0.000 2.443 1121 V HA 0.733 4.853 4.120 -0.000 0.000 0.293 1121 V C -0.271 175.727 176.094 -0.160 0.000 1.021 1121 V CA -0.469 61.727 62.300 -0.173 0.000 0.848 1121 V CB 1.720 33.519 31.823 -0.040 0.000 0.998 1121 V HN 0.883 nan 8.190 nan 0.000 0.424 1122 V N 1.831 121.643 119.914 -0.169 0.000 3.040 1122 V HA 1.027 5.147 4.120 -0.000 0.000 0.312 1122 V C 0.413 176.471 176.094 -0.061 0.000 1.115 1122 V CA -0.508 61.654 62.300 -0.229 0.000 0.998 1122 V CB 1.773 33.293 31.823 -0.504 0.000 1.042 1122 V HN 0.862 nan 8.190 nan 0.000 0.433 1123 G N 0.165 108.959 108.800 -0.010 0.000 2.539 1123 G HA2 0.518 4.478 3.960 -0.000 0.000 0.258 1123 G HA3 0.518 4.478 3.960 -0.000 0.000 0.258 1123 G C 0.993 175.961 174.900 0.114 0.000 1.202 1123 G CA -0.133 45.004 45.100 0.062 0.000 0.851 1123 G HN 1.678 nan 8.290 nan 0.000 0.556 1124 A N 1.141 124.013 122.820 0.087 0.000 1.978 1124 A HA -0.130 4.190 4.320 -0.000 0.000 0.220 1124 A C 2.051 179.697 177.584 0.103 0.000 1.170 1124 A CA 1.841 53.931 52.037 0.088 0.000 0.636 1124 A CB -0.373 18.660 19.000 0.056 0.000 0.810 1124 A HN 0.726 nan 8.150 nan 0.000 0.448 1125 N N -0.949 117.813 118.700 0.103 0.000 2.449 1125 N HA 0.009 4.749 4.740 -0.000 0.000 0.191 1125 N C 0.077 175.661 175.510 0.124 0.000 1.161 1125 N CA -0.373 52.727 53.050 0.084 0.000 0.863 1125 N CB -0.675 37.847 38.487 0.058 0.000 0.980 1125 N HN 0.307 nan 8.380 nan 0.000 0.458 1126 F N 1.974 121.947 119.950 0.037 0.000 2.538 1126 F HA 0.291 4.818 4.527 -0.000 0.000 0.371 1126 F C 0.008 175.865 175.800 0.094 0.000 1.087 1126 F CA 0.149 58.191 58.000 0.070 0.000 1.250 1126 F CB 0.534 39.590 39.000 0.093 0.000 1.110 1126 F HN -0.131 nan 8.300 nan 0.000 0.570 1127 T N 7.321 121.437 114.554 -0.729 0.000 2.906 1127 T HA 0.698 5.048 4.350 -0.000 0.000 0.295 1127 T C -1.178 173.043 174.700 -0.799 0.000 1.061 1127 T CA -0.305 61.411 62.100 -0.640 0.000 1.000 1127 T CB 1.528 70.161 68.868 -0.392 0.000 1.103 1127 T HN 0.515 nan 8.240 nan 0.000 0.486 1128 F N -1.334 118.139 119.950 -0.794 0.000 2.779 1128 F HA 0.782 5.309 4.527 -0.000 0.000 0.316 1128 F C 0.148 175.621 175.800 -0.546 0.000 1.164 1128 F CA -0.373 57.150 58.000 -0.795 0.000 0.924 1128 F CB 0.616 38.893 39.000 -1.206 0.000 1.348 1128 F HN 1.076 nan 8.300 nan 0.000 0.467 1129 G N 0.699 109.286 108.800 -0.355 0.000 2.782 1129 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.228 1129 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.228 1129 G C -0.872 173.920 174.900 -0.181 0.000 1.372 1129 G CA -0.198 44.789 45.100 -0.188 0.000 0.862 1129 G HN 1.219 nan 8.290 nan 0.000 0.547 1130 E N 0.511 120.650 120.200 -0.102 0.000 2.384 1130 E HA 0.288 4.638 4.350 -0.000 0.000 0.266 1130 E C 0.932 177.465 176.600 -0.113 0.000 1.012 1130 E CA 0.275 56.627 56.400 -0.080 0.000 0.901 1130 E CB 0.043 29.720 29.700 -0.038 0.000 0.967 1130 E HN 0.614 nan 8.360 nan 0.000 0.435 1131 N N 2.897 121.554 118.700 -0.072 0.000 2.708 1131 N HA -0.302 4.438 4.740 -0.000 0.000 0.249 1131 N C -0.118 175.297 175.510 -0.158 0.000 1.097 1131 N CA 1.083 54.088 53.050 -0.074 0.000 0.710 1131 N CB -1.761 36.691 38.487 -0.058 0.000 1.032 1131 N HN 0.810 nan 8.380 nan 0.000 0.551 1132 A N -2.359 120.326 122.820 -0.225 0.000 2.822 1132 A HA -0.152 4.168 4.320 -0.000 0.000 0.287 1132 A C 1.671 179.061 177.584 -0.324 0.000 1.479 1132 A CA 2.049 53.905 52.037 -0.302 0.000 0.779 1132 A CB -1.731 17.102 19.000 -0.277 0.000 1.022 1132 A HN 1.206 nan 8.150 nan 0.000 0.532 1133 A N -0.209 122.405 122.820 -0.342 0.000 1.898 1133 A HA 0.453 4.773 4.320 -0.000 0.000 0.214 1133 A C 1.772 179.078 177.584 -0.463 0.000 1.183 1133 A CA 1.567 53.410 52.037 -0.324 0.000 0.622 1133 A CB -0.613 18.237 19.000 -0.250 0.000 0.824 1133 A HN 2.227 nan 8.150 nan 0.000 0.444 1134 G N -0.284 108.026 108.800 -0.816 0.000 2.442 1134 G HA2 0.446 4.406 3.960 -0.000 0.000 0.249 1134 G HA3 0.446 4.406 3.960 -0.000 0.000 0.249 1134 G C 0.105 174.464 174.900 -0.901 0.000 1.263 1134 G CA 0.648 44.957 45.100 -1.318 0.000 0.846 1134 G HN 0.758 nan 8.290 nan 0.000 0.555 1135 T N -1.878 112.435 114.554 -0.401 0.000 2.804 1135 T HA 0.626 4.976 4.350 -0.000 0.000 0.290 1135 T C 1.518 176.339 174.700 0.202 0.000 1.099 1135 T CA 0.237 62.288 62.100 -0.082 0.000 1.011 1135 T CB 1.372 70.190 68.868 -0.083 0.000 1.291 1135 T HN 0.934 nan 8.240 nan 0.000 0.523 1136 A N 0.679 123.619 122.820 0.201 0.000 1.892 1136 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 1136 A C 1.843 179.533 177.584 0.176 0.000 1.188 1136 A CA 2.299 54.480 52.037 0.239 0.000 0.631 1136 A CB -1.353 17.747 19.000 0.167 0.000 0.822 1136 A HN 0.875 nan 8.150 nan 0.000 0.447 1137 D N -0.854 119.614 120.400 0.114 0.000 2.117 1137 D HA -0.081 4.559 4.640 -0.000 0.000 0.198 1137 D C 2.178 178.540 176.300 0.104 0.000 0.982 1137 D CA 1.463 55.515 54.000 0.086 0.000 0.828 1137 D CB -0.449 40.380 40.800 0.049 0.000 0.967 1137 D HN 0.379 nan 8.370 nan 0.000 0.464 1138 S N -0.390 115.379 115.700 0.116 0.000 2.442 1138 S HA -0.105 4.365 4.470 -0.000 0.000 0.236 1138 S C 1.727 176.475 174.600 0.247 0.000 1.007 1138 S CA 0.368 58.651 58.200 0.137 0.000 0.965 1138 S CB -0.130 63.105 63.200 0.059 0.000 0.773 1138 S HN 0.111 nan 8.310 nan 0.000 0.504 1139 L N 1.668 123.073 121.223 0.304 0.000 2.095 1139 L HA 0.175 4.515 4.340 -0.000 0.000 0.204 1139 L C 2.416 179.366 176.870 0.134 0.000 1.080 1139 L CA 1.482 56.472 54.840 0.250 0.000 0.759 1139 L CB -0.470 41.726 42.059 0.228 0.000 0.914 1139 L HN 0.177 nan 8.230 nan 0.000 0.439 1140 R N -0.485 120.082 120.500 0.111 0.000 2.105 1140 R HA -0.223 4.117 4.340 -0.000 0.000 0.239 1140 R C 2.083 178.425 176.300 0.071 0.000 1.135 1140 R CA 1.757 57.901 56.100 0.073 0.000 0.967 1140 R CB -0.413 29.926 30.300 0.065 0.000 0.861 1140 R HN 0.608 nan 8.270 nan 0.000 0.442 1141 Q N 0.317 120.166 119.800 0.082 0.000 2.269 1141 Q HA 0.031 4.371 4.340 -0.000 0.000 0.201 1141 Q C 1.786 177.833 176.000 0.078 0.000 0.946 1141 Q CA 1.077 56.923 55.803 0.071 0.000 0.877 1141 Q CB -0.275 28.500 28.738 0.062 0.000 0.963 1141 Q HN 0.293 nan 8.270 nan 0.000 0.472 1142 I N 0.234 120.868 120.570 0.106 0.000 2.353 1142 I HA -0.194 3.976 4.170 -0.000 0.000 0.248 1142 I C 1.109 177.278 176.117 0.086 0.000 1.119 1142 I CA 0.525 61.892 61.300 0.112 0.000 1.417 1142 I CB -0.043 38.059 38.000 0.170 0.000 1.078 1142 I HN 0.352 nan 8.210 nan 0.000 0.421 1143 C N 0.921 120.265 119.300 0.074 0.000 2.573 1143 C HA 0.071 4.531 4.460 -0.000 0.000 0.273 1143 C C 1.043 176.061 174.990 0.047 0.000 1.346 1143 C CA -0.580 58.469 59.018 0.052 0.000 1.702 1143 C CB -1.979 25.781 27.740 0.034 0.000 1.751 1143 C HN 0.414 nan 8.230 nan 0.000 0.583 1144 Q N 1.201 121.031 119.800 0.050 0.000 2.320 1144 Q HA 0.030 4.370 4.340 -0.000 0.000 0.311 1144 Q C 0.854 176.878 176.000 0.040 0.000 1.083 1144 Q CA 0.660 56.489 55.803 0.044 0.000 1.001 1144 Q CB 0.166 28.930 28.738 0.042 0.000 1.074 1144 Q HN 0.570 nan 8.270 nan 0.000 0.379 1145 S N 1.298 117.021 115.700 0.038 0.000 3.587 1145 S HA -0.263 4.207 4.470 -0.000 0.000 0.337 1145 S C 0.438 175.059 174.600 0.035 0.000 1.119 1145 S CA 1.583 59.804 58.200 0.034 0.000 0.976 1145 S CB -0.705 62.513 63.200 0.031 0.000 0.922 1145 S HN 0.757 nan 8.310 nan 0.000 0.503 1146 R N -1.285 119.237 120.500 0.038 0.000 3.372 1146 R HA 0.449 4.789 4.340 -0.000 0.000 0.150 1146 R C -0.796 175.527 176.300 0.038 0.000 0.739 1146 R CA 0.290 56.412 56.100 0.036 0.000 1.041 1146 R CB 0.269 30.590 30.300 0.035 0.000 1.530 1146 R HN 0.247 nan 8.270 nan 0.000 0.534 1147 L N 1.229 122.474 121.223 0.037 0.000 2.410 1147 L HA 0.385 4.725 4.340 -0.000 0.000 0.270 1147 L C -0.408 176.493 176.870 0.053 0.000 0.983 1147 L CA -0.808 54.056 54.840 0.041 0.000 0.822 1147 L CB 1.857 43.922 42.059 0.010 0.000 1.285 1147 L HN 0.118 nan 8.230 nan 0.000 0.409 1148 T N -0.216 114.403 114.554 0.108 0.000 2.870 1148 T HA 0.570 4.920 4.350 -0.000 0.000 0.300 1148 T C -0.001 174.739 174.700 0.068 0.000 0.989 1148 T CA -0.562 61.630 62.100 0.154 0.000 1.139 1148 T CB 0.680 69.698 68.868 0.250 0.000 0.920 1148 T HN 0.275 nan 8.240 nan 0.000 0.537 1149 V N 3.212 123.130 119.914 0.006 0.000 2.459 1149 V HA 0.459 4.579 4.120 -0.000 0.000 0.295 1149 V C -0.309 175.756 176.094 -0.048 0.000 1.029 1149 V CA -0.807 61.427 62.300 -0.109 0.000 0.874 1149 V CB 1.670 33.467 31.823 -0.043 0.000 0.985 1149 V HN 0.996 nan 8.190 nan 0.000 0.438 1150 D N 3.688 124.010 120.400 -0.129 0.000 2.461 1150 D HA 0.406 5.046 4.640 -0.000 0.000 0.240 1150 D C -0.732 175.557 176.300 -0.017 0.000 1.094 1150 D CA -0.166 53.836 54.000 0.003 0.000 0.868 1150 D CB 1.691 42.561 40.800 0.116 0.000 1.062 1150 D HN 0.250 nan 8.370 nan 0.000 0.530 1151 V N 5.280 125.202 119.914 0.013 0.000 2.432 1151 V HA 0.389 4.509 4.120 -0.000 0.000 0.275 1151 V C 0.612 176.726 176.094 0.033 0.000 1.043 1151 V CA -0.555 61.758 62.300 0.022 0.000 0.925 1151 V CB 1.119 32.968 31.823 0.044 0.000 0.985 1151 V HN 0.444 nan 8.190 nan 0.000 0.466 1152 I N 3.730 124.319 120.570 0.032 0.000 2.378 1152 I HA 0.368 4.537 4.170 -0.000 0.000 0.291 1152 I C -0.035 176.104 176.117 0.037 0.000 0.992 1152 I CA -0.747 60.574 61.300 0.036 0.000 1.154 1152 I CB 1.636 39.658 38.000 0.037 0.000 1.315 1152 I HN 0.506 nan 8.210 nan 0.000 0.448 1153 D N 5.826 126.246 120.400 0.033 0.000 2.419 1153 D HA 0.169 4.809 4.640 -0.000 0.000 0.236 1153 D C 0.145 176.461 176.300 0.026 0.000 1.165 1153 D CA 0.153 54.171 54.000 0.030 0.000 0.882 1153 D CB 0.920 41.734 40.800 0.025 0.000 1.201 1153 D HN 0.276 nan 8.370 nan 0.000 0.443 1154 L N 1.368 122.604 121.223 0.023 0.000 2.456 1154 L HA 0.026 4.366 4.340 -0.000 0.000 0.272 1154 L C 0.496 177.364 176.870 -0.002 0.000 1.189 1154 L CA -0.681 54.166 54.840 0.011 0.000 0.846 1154 L CB 0.143 42.206 42.059 0.007 0.000 1.111 1154 L HN 0.185 nan 8.230 nan 0.000 0.475 1155 L N 3.514 124.723 121.223 -0.024 0.000 2.361 1155 L HA 0.210 4.550 4.340 -0.000 0.000 0.278 1155 L C -0.411 176.442 176.870 -0.027 0.000 1.113 1155 L CA 0.507 55.327 54.840 -0.034 0.000 0.849 1155 L CB 0.205 42.222 42.059 -0.070 0.000 1.155 1155 L HN 0.454 nan 8.230 nan 0.000 0.452 1156 D N 3.735 124.141 120.400 0.009 0.000 2.375 1156 D HA 0.381 5.021 4.640 -0.000 0.000 0.247 1156 D C -1.241 175.108 176.300 0.082 0.000 1.061 1156 D CA -0.158 53.871 54.000 0.049 0.000 0.834 1156 D CB 1.998 42.826 40.800 0.047 0.000 1.247 1156 D HN 0.481 nan 8.370 nan 0.000 0.489 1157 D N 0.796 121.299 120.400 0.171 0.000 2.990 1157 D HA 0.122 4.762 4.640 -0.000 0.000 0.227 1157 D C -0.545 175.997 176.300 0.402 0.000 1.249 1157 D CA -0.319 53.835 54.000 0.257 0.000 0.891 1157 D CB 1.119 42.049 40.800 0.218 0.000 1.647 1157 D HN 0.362 nan 8.370 nan 0.000 0.530 1158 E N 1.873 122.226 120.200 0.255 0.000 2.586 1158 E HA -0.230 4.120 4.350 -0.000 0.000 0.259 1158 E C 0.753 177.397 176.600 0.073 0.000 1.107 1158 E CA 0.702 57.177 56.400 0.125 0.000 0.754 1158 E CB -1.546 28.163 29.700 0.016 0.000 1.335 1158 E HN 0.981 nan 8.360 nan 0.000 0.411 1159 G N -1.379 107.480 108.800 0.099 0.000 2.148 1159 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.254 1159 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.254 1159 G C 0.201 175.156 174.900 0.091 0.000 0.981 1159 G CA 0.287 45.429 45.100 0.069 0.000 0.670 1159 G HN 0.368 nan 8.290 nan 0.000 0.528 1160 V N 0.249 120.265 119.914 0.170 0.000 2.540 1160 V HA 0.656 4.776 4.120 -0.000 0.000 0.302 1160 V C 0.579 176.790 176.094 0.195 0.000 1.035 1160 V CA -1.127 61.301 62.300 0.214 0.000 0.873 1160 V CB 1.778 33.821 31.823 0.365 0.000 0.992 1160 V HN 0.447 nan 8.190 nan 0.000 0.428 1161 R N 4.289 124.848 120.500 0.098 0.000 2.347 1161 R HA 0.395 4.735 4.340 -0.000 0.000 0.304 1161 R C -0.691 175.605 176.300 -0.007 0.000 1.072 1161 R CA 0.131 56.247 56.100 0.028 0.000 0.980 1161 R CB 0.158 30.450 30.300 -0.013 0.000 0.986 1161 R HN 0.662 nan 8.270 nan 0.000 0.448 1162 I N 4.874 125.387 120.570 -0.094 0.000 2.301 1162 I HA 0.199 4.369 4.170 -0.000 0.000 0.292 1162 I C -0.118 175.705 176.117 -0.490 0.000 1.046 1162 I CA 0.090 61.227 61.300 -0.270 0.000 1.282 1162 I CB 0.672 38.453 38.000 -0.365 0.000 1.409 1162 I HN 0.816 nan 8.210 nan 0.000 0.484 1163 S N 2.565 117.993 115.700 -0.453 0.000 2.638 1163 S HA 0.376 4.846 4.470 -0.000 0.000 0.274 1163 S C 0.486 174.991 174.600 -0.158 0.000 1.157 1163 S CA -0.712 57.286 58.200 -0.336 0.000 0.826 1163 S CB 1.721 64.856 63.200 -0.109 0.000 1.139 1163 S HN 0.382 nan 8.310 nan 0.000 0.474 1164 S N 0.944 116.727 115.700 0.137 0.000 2.368 1164 S HA -0.084 4.386 4.470 -0.000 0.000 0.225 1164 S C 1.785 176.425 174.600 0.066 0.000 1.030 1164 S CA 2.036 60.362 58.200 0.209 0.000 0.999 1164 S CB -0.856 62.511 63.200 0.278 0.000 0.844 1164 S HN 0.837 nan 8.310 nan 0.000 0.459 1165 T N 1.744 116.307 114.554 0.016 0.000 2.684 1165 T HA -0.118 4.232 4.350 -0.000 0.000 0.267 1165 T C 2.074 176.700 174.700 -0.123 0.000 1.036 1165 T CA 1.803 63.877 62.100 -0.044 0.000 1.148 1165 T CB -0.750 68.089 68.868 -0.048 0.000 0.863 1165 T HN 0.398 nan 8.240 nan 0.000 0.436 1166 T N 1.721 116.175 114.554 -0.167 0.000 2.746 1166 T HA -0.081 4.269 4.350 -0.000 0.000 0.267 1166 T C 2.160 176.628 174.700 -0.386 0.000 1.039 1166 T CA 0.953 62.852 62.100 -0.334 0.000 1.142 1166 T CB -0.484 68.230 68.868 -0.258 0.000 0.866 1166 T HN 0.138 nan 8.240 nan 0.000 0.444 1167 V N 1.453 121.309 119.914 -0.095 0.000 2.295 1167 V HA -0.186 3.933 4.120 -0.000 0.000 0.246 1167 V C 2.579 178.672 176.094 -0.001 0.000 1.049 1167 V CA 1.675 64.022 62.300 0.078 0.000 1.024 1167 V CB -0.546 31.358 31.823 0.135 0.000 0.648 1167 V HN 0.405 nan 8.190 nan 0.000 0.447 1168 R N -0.207 120.263 120.500 -0.049 0.000 2.096 1168 R HA -0.181 4.159 4.340 -0.000 0.000 0.235 1168 R C 2.302 178.541 176.300 -0.103 0.000 1.127 1168 R CA 1.661 57.717 56.100 -0.073 0.000 0.968 1168 R CB -0.316 29.953 30.300 -0.051 0.000 0.861 1168 R HN 0.630 nan 8.270 nan 0.000 0.440 1169 E N -0.008 120.094 120.200 -0.164 0.000 2.051 1169 E HA -0.184 4.166 4.350 -0.000 0.000 0.192 1169 E C 1.756 178.289 176.600 -0.112 0.000 0.991 1169 E CA 1.288 57.574 56.400 -0.190 0.000 0.799 1169 E CB -0.139 29.371 29.700 -0.317 0.000 0.748 1169 E HN 0.191 nan 8.360 nan 0.000 0.449 1170 F N 0.868 120.790 119.950 -0.046 0.000 2.095 1170 F HA -0.172 4.355 4.527 -0.000 0.000 0.298 1170 F C 2.184 177.926 175.800 -0.096 0.000 1.104 1170 F CA 0.965 58.937 58.000 -0.046 0.000 1.232 1170 F CB -0.752 38.244 39.000 -0.006 0.000 0.987 1170 F HN -0.000 nan 8.300 nan 0.000 0.475 1171 L N -1.251 119.983 121.223 0.018 0.000 2.017 1171 L HA -0.240 4.100 4.340 -0.000 0.000 0.208 1171 L C 2.675 179.471 176.870 -0.123 0.000 1.073 1171 L CA 1.621 56.352 54.840 -0.182 0.000 0.745 1171 L CB -0.976 40.856 42.059 -0.378 0.000 0.894 1171 L HN 0.127 nan 8.230 nan 0.000 0.432 1172 S N -0.302 115.348 115.700 -0.083 0.000 2.383 1172 S HA -0.218 4.252 4.470 -0.000 0.000 0.229 1172 S C 1.738 176.326 174.600 -0.021 0.000 1.030 1172 S CA 1.490 59.658 58.200 -0.054 0.000 1.002 1172 S CB -0.155 63.015 63.200 -0.051 0.000 0.829 1172 S HN 0.442 nan 8.310 nan 0.000 0.467 1173 E N -0.581 119.618 120.200 -0.002 0.000 2.427 1173 E HA 0.137 4.487 4.350 -0.000 0.000 0.196 1173 E C 1.337 177.930 176.600 -0.012 0.000 1.028 1173 E CA 0.365 56.767 56.400 0.002 0.000 0.864 1173 E CB -0.145 29.576 29.700 0.035 0.000 0.813 1173 E HN 0.640 nan 8.360 nan 0.000 0.514 1174 G N 2.189 111.008 108.800 0.033 0.000 2.159 1174 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.256 1174 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.256 1174 G C 0.102 175.081 174.900 0.131 0.000 0.977 1174 G CA 0.275 45.453 45.100 0.131 0.000 0.652 1174 G HN 0.277 nan 8.290 nan 0.000 0.531 1175 D N 1.231 121.674 120.400 0.071 0.000 2.619 1175 D HA 0.386 5.026 4.640 -0.000 0.000 0.224 1175 D C 2.084 178.416 176.300 0.053 0.000 1.133 1175 D CA 0.334 54.367 54.000 0.055 0.000 1.017 1175 D CB 0.317 41.137 40.800 0.032 0.000 1.077 1175 D HN 0.550 nan 8.370 nan 0.000 0.503 1176 V N 1.306 121.296 119.914 0.126 0.000 2.515 1176 V HA -0.115 4.005 4.120 -0.000 0.000 0.250 1176 V C 2.222 178.396 176.094 0.133 0.000 1.058 1176 V CA 1.415 63.775 62.300 0.101 0.000 1.064 1176 V CB -0.902 31.017 31.823 0.159 0.000 0.675 1176 V HN 0.335 nan 8.190 nan 0.000 0.461 1177 A N 0.670 123.563 122.820 0.122 0.000 1.883 1177 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 1177 A C 2.417 180.020 177.584 0.032 0.000 1.186 1177 A CA 1.939 54.042 52.037 0.110 0.000 0.624 1177 A CB -0.580 18.464 19.000 0.073 0.000 0.822 1177 A HN 0.462 nan 8.150 nan 0.000 0.444 1178 R N -0.556 119.830 120.500 -0.189 0.000 2.092 1178 R HA -0.034 4.306 4.340 -0.000 0.000 0.231 1178 R C 2.463 178.601 176.300 -0.270 0.000 1.119 1178 R CA 1.338 57.136 56.100 -0.504 0.000 0.970 1178 R CB -1.101 28.354 30.300 -1.408 0.000 0.864 1178 R HN 0.537 nan 8.270 nan 0.000 0.440 1179 A N 1.898 124.660 122.820 -0.097 0.000 1.908 1179 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 1179 A C 1.828 179.547 177.584 0.226 0.000 1.181 1179 A CA 1.720 53.868 52.037 0.183 0.000 0.627 1179 A CB -0.467 18.598 19.000 0.108 0.000 0.818 1179 A HN 0.287 nan 8.150 nan 0.000 0.445 1180 N N -1.305 117.540 118.700 0.241 0.000 2.120 1180 N HA -0.189 4.551 4.740 -0.000 0.000 0.188 1180 N C 1.369 177.036 175.510 0.262 0.000 1.024 1180 N CA 1.536 54.762 53.050 0.293 0.000 0.852 1180 N CB -0.682 38.025 38.487 0.368 0.000 1.003 1180 N HN 0.825 nan 8.380 nan 0.000 0.424 1181 W N 1.954 123.295 121.300 0.069 0.000 2.338 1181 W HA -0.107 4.552 4.660 -0.000 0.000 0.304 1181 W C 2.209 178.765 176.519 0.061 0.000 1.212 1181 W CA 2.308 59.680 57.345 0.045 0.000 1.264 1181 W CB -0.379 29.064 29.460 -0.028 0.000 1.142 1181 W HN 0.065 nan 8.180 nan 0.000 0.512 1182 A N 0.178 122.973 122.820 -0.043 0.000 1.929 1182 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 1182 A C 2.060 179.569 177.584 -0.125 0.000 1.176 1182 A CA 1.566 53.433 52.037 -0.284 0.000 0.628 1182 A CB -0.892 18.176 19.000 0.113 0.000 0.816 1182 A HN 0.417 nan 8.150 nan 0.000 0.444 1183 L N -1.476 119.783 121.223 0.060 0.000 2.240 1183 L HA 0.108 4.448 4.340 -0.000 0.000 0.211 1183 L C 1.843 178.779 176.870 0.110 0.000 1.106 1183 L CA 0.754 55.682 54.840 0.147 0.000 0.793 1183 L CB -0.309 41.890 42.059 0.234 0.000 0.927 1183 L HN 0.582 nan 8.230 nan 0.000 0.446 1184 G N 1.050 109.882 108.800 0.053 0.000 2.136 1184 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.242 1184 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.242 1184 G C 0.258 175.226 174.900 0.112 0.000 0.989 1184 G CA 0.534 45.672 45.100 0.062 0.000 0.682 1184 G HN 0.555 nan 8.290 nan 0.000 0.522 1185 R N -2.069 118.509 120.500 0.129 0.000 2.741 1185 R HA 0.533 4.873 4.340 -0.000 0.000 0.274 1185 R C -0.757 175.637 176.300 0.156 0.000 1.029 1185 R CA -1.002 55.144 56.100 0.076 0.000 0.880 1185 R CB 0.519 30.909 30.300 0.150 0.000 1.264 1185 R HN 0.269 nan 8.270 nan 0.000 0.465 1186 H N 0.594 119.784 119.070 0.199 0.000 2.848 1186 H HA 0.109 4.665 4.556 -0.000 0.000 0.317 1186 H C -0.439 175.114 175.328 0.375 0.000 1.046 1186 H CA -0.242 55.974 56.048 0.279 0.000 1.470 1186 H CB 0.459 30.370 29.762 0.249 0.000 1.483 1186 H HN 0.322 nan 8.280 nan 0.000 0.548 1187 F N 5.694 125.868 119.950 0.373 0.000 2.607 1187 F HA 0.108 4.635 4.527 -0.000 0.000 0.374 1187 F C -0.609 175.428 175.800 0.394 0.000 1.104 1187 F CA -0.311 57.842 58.000 0.254 0.000 1.296 1187 F CB -0.035 39.033 39.000 0.113 0.000 1.085 1187 F HN 0.503 nan 8.300 nan 0.000 0.584 1188 Y N 4.347 124.185 120.300 -0.769 0.000 2.615 1188 Y HA 0.700 5.250 4.550 -0.000 0.000 0.341 1188 Y C -1.665 173.828 175.900 -0.677 0.000 1.089 1188 Y CA -1.557 56.267 58.100 -0.460 0.000 1.049 1188 Y CB 0.709 39.096 38.460 -0.123 0.000 1.296 1188 Y HN 0.570 nan 8.280 nan 0.000 0.470 1189 V N -1.095 118.753 119.914 -0.110 0.000 3.001 1189 V HA 0.950 5.070 4.120 -0.000 0.000 0.314 1189 V C -0.833 175.408 176.094 0.244 0.000 1.099 1189 V CA -0.669 61.578 62.300 -0.089 0.000 0.989 1189 V CB 1.573 33.155 31.823 -0.402 0.000 1.040 1189 V HN 1.004 nan 8.190 nan 0.000 0.434 1190 T N 1.276 116.021 114.554 0.318 0.000 2.900 1190 T HA 0.958 5.308 4.350 -0.000 0.000 0.295 1190 T C -0.027 174.893 174.700 0.366 0.000 1.044 1190 T CA -0.053 62.236 62.100 0.315 0.000 0.995 1190 T CB 1.623 70.637 68.868 0.243 0.000 1.072 1190 T HN 1.714 nan 8.240 nan 0.000 0.473 1191 G N 1.995 110.939 108.800 0.240 0.000 2.338 1191 G HA2 0.566 4.526 3.960 -0.000 0.000 0.295 1191 G HA3 0.566 4.526 3.960 -0.000 0.000 0.295 1191 G C -3.449 171.480 174.900 0.049 0.000 1.461 1191 G CA -0.949 44.222 45.100 0.119 0.000 0.817 1191 G HN 0.517 nan 8.290 nan 0.000 0.556 1192 P HA 0.383 nan 4.420 nan 0.000 0.271 1192 P C -0.031 177.261 177.300 -0.013 0.000 1.218 1192 P CA -0.155 62.940 63.100 -0.008 0.000 0.780 1192 P CB 1.518 33.206 31.700 -0.019 0.000 0.901 1193 V N 3.800 123.711 119.914 -0.004 0.000 2.498 1193 V HA 0.243 4.363 4.120 -0.000 0.000 0.279 1193 V C 1.046 177.175 176.094 0.059 0.000 1.048 1193 V CA -0.282 62.029 62.300 0.018 0.000 0.967 1193 V CB 1.211 33.056 31.823 0.037 0.000 0.988 1193 V HN 0.485 nan 8.190 nan 0.000 0.473 1194 V N 2.937 122.920 119.914 0.114 0.000 3.204 1194 V HA 0.745 4.865 4.120 -0.000 0.000 0.316 1194 V C -0.018 176.203 176.094 0.212 0.000 1.160 1194 V CA -1.460 60.963 62.300 0.204 0.000 1.044 1194 V CB 1.639 33.590 31.823 0.213 0.000 1.136 1194 V HN 0.685 nan 8.190 nan 0.000 0.455 1195 R N 0.425 121.035 120.500 0.184 0.000 2.537 1195 R HA 0.630 4.970 4.340 -0.000 0.000 0.280 1195 R C 0.438 176.803 176.300 0.108 0.000 1.058 1195 R CA 1.310 57.460 56.100 0.083 0.000 1.057 1195 R CB 0.570 30.870 30.300 0.000 0.000 0.973 1195 R HN 1.207 nan 8.270 nan 0.000 0.438 1196 G N 0.622 109.471 108.800 0.081 0.000 3.253 1196 G HA2 0.541 4.501 3.960 -0.000 0.000 0.175 1196 G HA3 0.541 4.501 3.960 -0.000 0.000 0.175 1196 G C -1.314 173.638 174.900 0.087 0.000 1.098 1196 G CA -0.145 45.010 45.100 0.092 0.000 0.790 1196 G HN 0.719 nan 8.290 nan 0.000 0.648 1197 A N -0.086 122.793 122.820 0.098 0.000 2.451 1197 A HA 0.592 4.912 4.320 -0.000 0.000 0.266 1197 A C 1.371 179.158 177.584 0.337 0.000 1.119 1197 A CA 1.201 53.329 52.037 0.152 0.000 0.786 1197 A CB -0.830 18.202 19.000 0.053 0.000 1.061 1197 A HN 2.527 nan 8.150 nan 0.000 0.503 1198 G N 2.692 111.690 108.800 0.330 0.000 2.581 1198 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.291 1198 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.291 1198 G C -0.015 174.921 174.900 0.059 0.000 1.277 1198 G CA 0.341 45.563 45.100 0.203 0.000 0.959 1198 G HN 0.985 nan 8.290 nan 0.000 0.554 1199 R N 0.147 120.599 120.500 -0.081 0.000 2.686 1199 R HA 0.579 4.919 4.340 -0.000 0.000 0.286 1199 R C 0.603 176.864 176.300 -0.064 0.000 0.969 1199 R CA -0.089 55.973 56.100 -0.063 0.000 0.898 1199 R CB 1.332 31.575 30.300 -0.095 0.000 1.183 1199 R HN 1.130 nan 8.270 nan 0.000 0.456 1200 G N 0.001 108.794 108.800 -0.012 0.000 2.432 1200 G HA2 0.417 4.377 3.960 -0.000 0.000 0.239 1200 G HA3 0.417 4.377 3.960 -0.000 0.000 0.239 1200 G C 0.262 175.141 174.900 -0.036 0.000 1.291 1200 G CA 0.755 45.852 45.100 -0.006 0.000 0.863 1200 G HN 0.683 nan 8.290 nan 0.000 0.560 1201 G N 0.919 109.703 108.800 -0.027 0.000 2.600 1201 G HA2 0.038 3.998 3.960 -0.000 0.000 0.103 1201 G HA3 0.038 3.998 3.960 -0.000 0.000 0.103 1201 G C 0.733 175.622 174.900 -0.018 0.000 1.090 1201 G CA -0.044 45.032 45.100 -0.040 0.000 1.090 1201 G HN 0.510 nan 8.290 nan 0.000 0.500 1202 K N 0.779 121.159 120.400 -0.033 0.000 2.217 1202 K HA 0.107 4.427 4.320 -0.000 0.000 0.202 1202 K C 0.143 176.755 176.600 0.021 0.000 1.051 1202 K CA 0.740 57.021 56.287 -0.009 0.000 0.952 1202 K CB 0.038 32.525 32.500 -0.022 0.000 0.736 1202 K HN 0.260 nan 8.250 nan 0.000 0.453 1203 E N 1.332 121.540 120.200 0.014 0.000 2.316 1203 E HA 0.001 4.351 4.350 -0.000 0.000 0.275 1203 E C 0.953 177.692 176.600 0.231 0.000 1.029 1203 E CA 0.111 56.581 56.400 0.117 0.000 0.871 1203 E CB 1.084 30.823 29.700 0.065 0.000 1.022 1203 E HN 0.134 nan 8.360 nan 0.000 0.418 1204 L N 1.284 122.627 121.223 0.201 0.000 2.131 1204 L HA -0.013 4.327 4.340 -0.000 0.000 0.206 1204 L C 1.959 178.962 176.870 0.222 0.000 1.087 1204 L CA 1.262 56.203 54.840 0.169 0.000 0.767 1204 L CB -0.086 42.013 42.059 0.066 0.000 0.917 1204 L HN 0.608 nan 8.230 nan 0.000 0.441 1205 G N -0.845 108.067 108.800 0.186 0.000 2.920 1205 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.208 1205 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.208 1205 G C 0.214 175.185 174.900 0.117 0.000 1.159 1205 G CA -0.267 44.854 45.100 0.034 0.000 0.784 1205 G HN 0.084 nan 8.290 nan 0.000 0.535 1206 F N 1.161 121.250 119.950 0.231 0.000 2.415 1206 F HA 0.385 4.912 4.527 -0.000 0.000 0.348 1206 F C -1.960 173.863 175.800 0.038 0.000 1.119 1206 F CA -2.646 55.438 58.000 0.140 0.000 1.069 1206 F CB 1.802 40.833 39.000 0.051 0.000 1.124 1206 F HN -0.166 nan 8.300 nan 0.000 0.472 1207 P HA 0.041 nan 4.420 nan 0.000 0.267 1207 P C 0.577 177.721 177.300 -0.259 0.000 1.200 1207 P CA 0.123 62.827 63.100 -0.659 0.000 0.772 1207 P CB 0.650 31.951 31.700 -0.664 0.000 0.855 1208 T N -0.072 114.321 114.554 -0.268 0.000 2.904 1208 T HA 0.156 4.506 4.350 -0.000 0.000 0.267 1208 T C 0.725 175.361 174.700 -0.107 0.000 1.059 1208 T CA 1.288 63.312 62.100 -0.128 0.000 1.137 1208 T CB -0.035 68.767 68.868 -0.109 0.000 0.879 1208 T HN 0.619 nan 8.240 nan 0.000 0.467 1209 A N 1.063 123.790 122.820 -0.155 0.000 2.520 1209 A HA 0.644 4.964 4.320 -0.000 0.000 0.298 1209 A C -1.312 176.191 177.584 -0.135 0.000 1.051 1209 A CA -0.926 51.056 52.037 -0.093 0.000 0.690 1209 A CB 1.280 20.247 19.000 -0.055 0.000 1.281 1209 A HN 0.157 nan 8.150 nan 0.000 0.402 1210 N N 1.550 120.195 118.700 -0.093 0.000 2.354 1210 N HA 0.487 5.227 4.740 -0.000 0.000 0.287 1210 N C -1.255 174.149 175.510 -0.176 0.000 1.016 1210 N CA -0.231 52.725 53.050 -0.157 0.000 0.871 1210 N CB 2.105 40.533 38.487 -0.098 0.000 1.299 1210 N HN 0.738 nan 8.380 nan 0.000 0.482 1211 Q N 1.371 120.989 119.800 -0.303 0.000 2.421 1211 Q HA 0.494 4.834 4.340 -0.000 0.000 0.280 1211 Q C -1.499 174.156 176.000 -0.574 0.000 1.085 1211 Q CA -0.683 54.938 55.803 -0.304 0.000 0.807 1211 Q CB 2.522 31.196 28.738 -0.106 0.000 1.405 1211 Q HN 0.507 nan 8.270 nan 0.000 0.419 1212 Y N 0.295 120.402 120.300 -0.322 0.000 2.499 1212 Y HA 0.624 5.174 4.550 -0.000 0.000 0.347 1212 Y C -0.955 174.618 175.900 -0.545 0.000 0.987 1212 Y CA -0.728 57.235 58.100 -0.230 0.000 1.044 1212 Y CB 1.532 39.928 38.460 -0.108 0.000 1.245 1212 Y HN 0.478 nan 8.280 nan 0.000 0.461 1213 F N 0.945 121.030 119.950 0.225 0.000 2.565 1213 F HA 0.416 4.943 4.527 -0.000 0.000 0.313 1213 F C 0.283 176.172 175.800 0.149 0.000 1.091 1213 F CA -1.092 57.027 58.000 0.198 0.000 0.915 1213 F CB 1.334 40.439 39.000 0.175 0.000 1.208 1213 F HN 0.455 nan 8.300 nan 0.000 0.453 1214 H N 1.225 120.463 119.070 0.281 0.000 2.730 1214 H HA 0.014 4.570 4.556 -0.000 0.000 0.376 1214 H C 0.260 175.700 175.328 0.186 0.000 1.299 1214 H CA 0.555 56.719 56.048 0.193 0.000 1.447 1214 H CB 1.023 30.870 29.762 0.142 0.000 1.493 1214 H HN 0.658 nan 8.280 nan 0.000 0.619 1215 D N -0.176 120.371 120.400 0.245 0.000 2.363 1215 D HA -0.090 4.550 4.640 -0.000 0.000 0.226 1215 D C 1.369 177.754 176.300 0.141 0.000 1.020 1215 D CA 0.335 54.435 54.000 0.166 0.000 0.892 1215 D CB -0.341 40.533 40.800 0.123 0.000 0.900 1215 D HN 0.331 nan 8.370 nan 0.000 0.531 1216 T N -0.384 114.269 114.554 0.164 0.000 3.081 1216 T HA 0.120 4.470 4.350 -0.000 0.000 0.250 1216 T C 0.320 175.088 174.700 0.113 0.000 1.100 1216 T CA -0.134 62.037 62.100 0.118 0.000 1.038 1216 T CB -0.035 68.898 68.868 0.108 0.000 0.962 1216 T HN -0.072 nan 8.240 nan 0.000 0.516 1217 V N 2.912 122.913 119.914 0.145 0.000 2.432 1217 V HA 0.599 4.718 4.120 -0.000 0.000 0.271 1217 V C 0.606 176.743 176.094 0.072 0.000 1.046 1217 V CA -1.200 61.173 62.300 0.121 0.000 0.945 1217 V CB 0.538 32.463 31.823 0.169 0.000 0.992 1217 V HN 0.439 nan 8.190 nan 0.000 0.471 1218 A N 7.200 130.054 122.820 0.058 0.000 2.492 1218 A HA 0.618 4.937 4.320 -0.000 0.000 0.254 1218 A C -0.377 177.198 177.584 -0.015 0.000 1.091 1218 A CA 0.149 52.189 52.037 0.004 0.000 0.768 1218 A CB -0.087 18.907 19.000 -0.009 0.000 1.028 1218 A HN 0.804 nan 8.150 nan 0.000 0.498 1219 L N 2.985 124.138 121.223 -0.117 0.000 2.376 1219 L HA 0.471 4.811 4.340 -0.000 0.000 0.258 1219 L C -2.349 174.314 176.870 -0.345 0.000 1.013 1219 L CA -2.338 52.374 54.840 -0.213 0.000 0.822 1219 L CB 2.445 44.430 42.059 -0.123 0.000 1.388 1219 L HN 0.421 nan 8.230 nan 0.000 0.413 1220 P HA 0.088 nan 4.420 nan 0.000 0.270 1220 P C -0.702 176.525 177.300 -0.122 0.000 1.223 1220 P CA -0.328 62.501 63.100 -0.451 0.000 0.785 1220 P CB 0.432 31.584 31.700 -0.913 0.000 0.923 1221 A N 1.745 124.588 122.820 0.039 0.000 2.555 1221 A HA 0.014 4.334 4.320 -0.000 0.000 0.233 1221 A C 0.179 177.906 177.584 0.238 0.000 1.060 1221 A CA 0.063 52.171 52.037 0.119 0.000 0.759 1221 A CB -0.595 18.470 19.000 0.107 0.000 0.995 1221 A HN 0.503 nan 8.150 nan 0.000 0.506 1222 D N 0.447 120.952 120.400 0.175 0.000 2.571 1222 D HA 0.416 5.056 4.640 -0.000 0.000 0.231 1222 D C 0.746 177.189 176.300 0.238 0.000 1.133 1222 D CA 2.252 56.373 54.000 0.201 0.000 0.862 1222 D CB 0.619 41.498 40.800 0.132 0.000 1.179 1222 D HN 1.061 nan 8.370 nan 0.000 0.474 1223 G N -0.293 108.663 108.800 0.260 0.000 2.356 1223 G HA2 0.267 4.227 3.960 -0.000 0.000 0.288 1223 G HA3 0.267 4.227 3.960 -0.000 0.000 0.288 1223 G C -1.632 173.320 174.900 0.087 0.000 1.302 1223 G CA -0.746 44.426 45.100 0.120 0.000 0.887 1223 G HN 0.398 nan 8.290 nan 0.000 0.521 1224 V N 0.494 120.274 119.914 -0.224 0.000 2.459 1224 V HA 0.752 4.872 4.120 -0.000 0.000 0.295 1224 V C -0.951 174.873 176.094 -0.451 0.000 1.029 1224 V CA -0.501 61.711 62.300 -0.146 0.000 0.874 1224 V CB 1.097 32.846 31.823 -0.122 0.000 0.985 1224 V HN 0.653 nan 8.190 nan 0.000 0.438 1225 Y N 1.539 121.856 120.300 0.030 0.000 2.545 1225 Y HA 0.736 5.285 4.550 -0.000 0.000 0.348 1225 Y C 0.392 176.276 175.900 -0.027 0.000 1.002 1225 Y CA -0.889 57.243 58.100 0.053 0.000 1.039 1225 Y CB 1.972 40.614 38.460 0.304 0.000 1.271 1225 Y HN 0.699 nan 8.280 nan 0.000 0.467 1226 A N 1.356 124.224 122.820 0.080 0.000 2.366 1226 A HA 0.773 5.093 4.320 -0.000 0.000 0.272 1226 A C 0.288 177.781 177.584 -0.152 0.000 1.135 1226 A CA 0.553 52.544 52.037 -0.077 0.000 0.804 1226 A CB -0.110 18.820 19.000 -0.118 0.000 1.064 1226 A HN 0.955 nan 8.150 nan 0.000 0.499 1227 G N 0.302 108.905 108.800 -0.329 0.000 2.682 1227 G HA2 0.557 4.517 3.960 -0.000 0.000 0.303 1227 G HA3 0.557 4.517 3.960 -0.000 0.000 0.303 1227 G C -1.822 172.735 174.900 -0.571 0.000 1.341 1227 G CA -0.734 44.098 45.100 -0.447 0.000 0.784 1227 G HN 0.704 nan 8.290 nan 0.000 0.497 1228 W N -0.219 121.006 121.300 -0.124 0.000 2.702 1228 W HA 0.696 5.356 4.660 -0.000 0.000 0.331 1228 W C -0.370 176.130 176.519 -0.032 0.000 1.049 1228 W CA -0.724 56.598 57.345 -0.039 0.000 1.230 1228 W CB 2.256 31.695 29.460 -0.035 0.000 1.408 1228 W HN 0.386 nan 8.180 nan 0.000 0.492 1229 L N 3.293 124.681 121.223 0.275 0.000 2.313 1229 L HA 0.720 5.060 4.340 -0.000 0.000 0.283 1229 L C -0.520 176.487 176.870 0.228 0.000 1.013 1229 L CA -0.062 54.884 54.840 0.176 0.000 0.816 1229 L CB 1.404 43.528 42.059 0.109 0.000 1.236 1229 L HN 0.352 nan 8.230 nan 0.000 0.419 1230 T N 5.763 120.401 114.554 0.140 0.000 2.812 1230 T HA 0.497 4.847 4.350 -0.000 0.000 0.282 1230 T C -0.116 174.620 174.700 0.061 0.000 0.990 1230 T CA -0.309 61.859 62.100 0.114 0.000 0.960 1230 T CB 1.255 70.148 68.868 0.042 0.000 0.948 1230 T HN 0.372 nan 8.240 nan 0.000 0.438 1231 I N 3.831 124.428 120.570 0.045 0.000 2.452 1231 I HA 0.190 4.360 4.170 -0.000 0.000 0.287 1231 I C 0.402 176.507 176.117 -0.018 0.000 1.079 1231 I CA -0.489 60.795 61.300 -0.027 0.000 1.387 1231 I CB 0.425 38.344 38.000 -0.136 0.000 1.404 1231 I HN 0.377 nan 8.210 nan 0.000 0.522 1232 L N 8.117 129.337 121.223 -0.005 0.000 2.452 1232 L HA 0.255 4.595 4.340 -0.000 0.000 0.267 1232 L C -2.006 174.860 176.870 -0.006 0.000 1.188 1232 L CA -1.768 53.070 54.840 -0.004 0.000 0.821 1232 L CB -0.208 41.857 42.059 0.010 0.000 1.102 1232 L HN 0.307 nan 8.230 nan 0.000 0.470 1233 P HA -0.013 nan 4.420 nan 0.000 0.261 1233 P C -0.506 176.798 177.300 0.006 0.000 1.173 1233 P CA 0.506 63.601 63.100 -0.010 0.000 0.760 1233 P CB 0.549 32.240 31.700 -0.014 0.000 0.783 1234 T N 1.514 116.073 114.554 0.008 0.000 2.886 1234 T HA 0.183 4.533 4.350 -0.000 0.000 0.330 1234 T C -0.098 174.617 174.700 0.025 0.000 1.488 1234 T CA -0.550 61.568 62.100 0.031 0.000 1.054 1234 T CB 0.907 69.827 68.868 0.086 0.000 1.348 1234 T HN 0.174 nan 8.240 nan 0.000 0.489 1235 E N 1.169 121.386 120.200 0.028 0.000 2.481 1235 E HA 0.318 4.668 4.350 -0.000 0.000 0.198 1235 E C 0.769 177.393 176.600 0.040 0.000 1.027 1235 E CA -0.033 56.381 56.400 0.024 0.000 0.900 1235 E CB 0.609 30.317 29.700 0.012 0.000 0.993 1235 E HN 0.697 nan 8.360 nan 0.000 0.482 1236 A N 3.496 126.359 122.820 0.071 0.000 2.425 1236 A HA 0.336 4.656 4.320 -0.000 0.000 0.249 1236 A C -2.011 175.662 177.584 0.148 0.000 1.084 1236 A CA -1.013 51.077 52.037 0.088 0.000 0.781 1236 A CB -0.220 18.817 19.000 0.061 0.000 1.019 1236 A HN -0.103 nan 8.150 nan 0.000 0.490 1237 P HA 0.286 nan 4.420 nan 0.000 0.271 1237 P C -0.826 176.588 177.300 0.190 0.000 1.218 1237 P CA -0.067 63.091 63.100 0.097 0.000 0.780 1237 P CB 0.735 32.468 31.700 0.055 0.000 0.901 1238 V N 1.605 121.584 119.914 0.108 0.000 2.417 1238 V HA 0.225 4.345 4.120 -0.000 0.000 0.291 1238 V C 0.699 176.824 176.094 0.051 0.000 1.024 1238 V CA -0.547 61.810 62.300 0.096 0.000 0.861 1238 V CB 1.425 33.186 31.823 -0.104 0.000 0.985 1238 V HN 0.647 nan 8.190 nan 0.000 0.436 1239 S N 4.053 119.799 115.700 0.076 0.000 2.422 1239 S HA 0.642 5.112 4.470 -0.000 0.000 0.283 1239 S C 0.421 175.010 174.600 -0.018 0.000 1.163 1239 S CA 0.742 58.960 58.200 0.031 0.000 1.054 1239 S CB -0.442 62.789 63.200 0.050 0.000 0.967 1239 S HN 1.824 nan 8.310 nan 0.000 0.499 1240 G N 4.329 113.106 108.800 -0.038 0.000 2.409 1240 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.421 1240 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.421 1240 G C -0.606 174.236 174.900 -0.097 0.000 1.259 1240 G CA -0.339 44.719 45.100 -0.070 0.000 1.011 1240 G HN 0.980 nan 8.290 nan 0.000 0.497 1241 N N -0.125 118.495 118.700 -0.132 0.000 2.714 1241 N HA 0.450 5.189 4.740 -0.000 0.000 0.298 1241 N C 0.116 175.479 175.510 -0.244 0.000 1.298 1241 N CA -0.069 52.897 53.050 -0.141 0.000 1.007 1241 N CB 0.142 38.566 38.487 -0.105 0.000 1.318 1241 N HN 0.659 nan 8.380 nan 0.000 0.516 1242 M N -0.181 119.252 119.600 -0.278 0.000 2.535 1242 M HA 0.388 4.867 4.480 -0.000 0.000 0.314 1242 M C -0.597 175.605 176.300 -0.163 0.000 1.153 1242 M CA -0.534 54.520 55.300 -0.410 0.000 0.924 1242 M CB 2.772 34.958 32.600 -0.689 0.000 1.710 1242 M HN 0.058 nan 8.290 nan 0.000 0.451 1243 E N 1.763 121.975 120.200 0.022 0.000 2.256 1243 E HA 0.505 4.855 4.350 -0.000 0.000 0.267 1243 E C -2.513 174.128 176.600 0.068 0.000 0.892 1243 E CA -1.978 54.445 56.400 0.039 0.000 0.775 1243 E CB 1.834 31.576 29.700 0.069 0.000 1.207 1243 E HN 0.272 nan 8.360 nan 0.000 0.420 1244 P HA -0.023 nan 4.420 nan 0.000 0.270 1244 P C -0.709 176.598 177.300 0.012 0.000 1.223 1244 P CA 0.244 63.334 63.100 -0.016 0.000 0.785 1244 P CB 0.329 32.001 31.700 -0.046 0.000 0.923 1245 E N -2.845 117.357 120.200 0.004 0.000 3.286 1245 E HA -0.144 4.206 4.350 -0.000 0.000 0.292 1245 E C -0.770 175.807 176.600 -0.038 0.000 0.928 1245 E CA 0.113 56.501 56.400 -0.021 0.000 0.982 1245 E CB -1.898 27.783 29.700 -0.032 0.000 1.500 1245 E HN 0.122 nan 8.360 nan 0.000 0.441 1246 V N 0.556 120.459 119.914 -0.019 0.000 2.495 1246 V HA 0.597 4.717 4.120 -0.000 0.000 0.298 1246 V C 0.275 176.287 176.094 -0.137 0.000 1.031 1246 V CA -0.199 62.015 62.300 -0.144 0.000 0.871 1246 V CB 1.829 33.483 31.823 -0.282 0.000 0.988 1246 V HN 0.282 nan 8.190 nan 0.000 0.432 1247 A N 4.881 127.615 122.820 -0.144 0.000 2.350 1247 A HA 0.625 4.945 4.320 -0.000 0.000 0.293 1247 A C -0.886 176.789 177.584 0.153 0.000 1.231 1247 A CA -0.027 52.016 52.037 0.010 0.000 0.883 1247 A CB -0.332 18.559 19.000 -0.182 0.000 1.133 1247 A HN 0.710 nan 8.150 nan 0.000 0.533 1248 Y N 1.725 122.251 120.300 0.377 0.000 2.320 1248 Y HA 0.452 5.002 4.550 -0.000 0.000 0.334 1248 Y C 0.997 177.186 175.900 0.480 0.000 1.055 1248 Y CA -0.028 58.335 58.100 0.438 0.000 1.143 1248 Y CB 1.439 40.007 38.460 0.180 0.000 1.193 1248 Y HN 0.823 nan 8.280 nan 0.000 0.477 1249 A N 2.798 125.971 122.820 0.589 0.000 2.546 1249 A HA 0.536 4.856 4.320 -0.000 0.000 0.243 1249 A C -0.061 177.570 177.584 0.079 0.000 1.063 1249 A CA 0.459 52.529 52.037 0.055 0.000 0.757 1249 A CB -0.491 18.512 19.000 0.006 0.000 0.991 1249 A HN 0.858 nan 8.150 nan 0.000 0.503 1250 A N 1.649 124.422 122.820 -0.079 0.000 2.549 1250 A HA 0.772 5.092 4.320 -0.000 0.000 0.297 1250 A C -0.168 177.391 177.584 -0.043 0.000 1.061 1250 A CA 0.037 52.071 52.037 -0.004 0.000 0.690 1250 A CB 1.207 20.218 19.000 0.019 0.000 1.287 1250 A HN 2.296 nan 8.150 nan 0.000 0.402 1251 A N 1.653 124.505 122.820 0.053 0.000 2.260 1251 A HA 0.692 5.011 4.320 -0.000 0.000 0.308 1251 A C -0.533 177.162 177.584 0.186 0.000 1.254 1251 A CA -0.213 51.864 52.037 0.066 0.000 0.874 1251 A CB -0.258 18.760 19.000 0.029 0.000 1.153 1251 A HN 0.705 nan 8.150 nan 0.000 0.527 1252 I N 2.042 122.700 120.570 0.146 0.000 2.362 1252 I HA 0.265 4.435 4.170 -0.000 0.000 0.289 1252 I C 0.401 176.705 176.117 0.312 0.000 0.994 1252 I CA -0.170 61.237 61.300 0.178 0.000 1.158 1252 I CB 2.024 40.007 38.000 -0.029 0.000 1.315 1252 I HN 0.508 nan 8.210 nan 0.000 0.451 1253 S N 5.573 121.474 115.700 0.335 0.000 2.422 1253 S HA 0.518 4.987 4.470 -0.000 0.000 0.308 1253 S C -0.397 174.388 174.600 0.308 0.000 1.097 1253 S CA -0.514 57.881 58.200 0.326 0.000 1.099 1253 S CB 0.674 64.081 63.200 0.346 0.000 0.976 1253 S HN 0.320 nan 8.310 nan 0.000 0.471 1254 V N 4.902 125.031 119.914 0.357 0.000 2.394 1254 V HA 0.797 4.917 4.120 -0.000 0.000 0.282 1254 V C 0.897 177.129 176.094 0.231 0.000 1.031 1254 V CA -0.231 62.250 62.300 0.301 0.000 0.881 1254 V CB 1.141 33.154 31.823 0.317 0.000 0.982 1254 V HN 0.930 nan 8.190 nan 0.000 0.451 1255 G N 2.874 111.786 108.800 0.187 0.000 2.725 1255 G HA2 0.744 4.704 3.960 -0.000 0.000 0.288 1255 G HA3 0.744 4.704 3.960 -0.000 0.000 0.288 1255 G C -1.034 173.958 174.900 0.153 0.000 1.399 1255 G CA -0.534 44.660 45.100 0.157 0.000 0.859 1255 G HN 0.546 nan 8.290 nan 0.000 0.479 1256 T N 0.703 115.339 114.554 0.136 0.000 2.861 1256 T HA 0.365 4.715 4.350 -0.000 0.000 0.287 1256 T C -0.402 174.378 174.700 0.132 0.000 1.003 1256 T CA -0.755 61.428 62.100 0.138 0.000 0.977 1256 T CB 1.674 70.609 68.868 0.113 0.000 0.996 1256 T HN 0.403 nan 8.240 nan 0.000 0.448 1257 N N 3.109 121.901 118.700 0.152 0.000 2.431 1257 N HA 0.156 4.896 4.740 -0.000 0.000 0.265 1257 N C -1.527 174.058 175.510 0.126 0.000 1.184 1257 N CA -1.698 51.435 53.050 0.138 0.000 0.943 1257 N CB 1.306 39.899 38.487 0.176 0.000 1.080 1257 N HN 0.279 nan 8.380 nan 0.000 0.477 1258 P HA -0.121 nan 4.420 nan 0.000 0.217 1258 P C 0.127 177.482 177.300 0.092 0.000 1.158 1258 P CA 1.546 64.696 63.100 0.083 0.000 0.887 1258 P CB 0.296 32.037 31.700 0.068 0.000 0.792 1259 T N -2.472 112.154 114.554 0.121 0.000 3.583 1259 T HA 0.329 4.679 4.350 -0.000 0.000 0.274 1259 T C -2.026 172.783 174.700 0.181 0.000 0.698 1259 T CA -0.561 61.609 62.100 0.117 0.000 1.262 1259 T CB -1.086 67.827 68.868 0.075 0.000 1.000 1259 T HN -0.176 nan 8.240 nan 0.000 0.528 1260 F N 3.567 123.522 119.950 0.009 0.000 2.552 1260 F HA 0.559 5.086 4.527 -0.000 0.000 0.369 1260 F C 0.929 176.717 175.800 -0.020 0.000 1.112 1260 F CA 0.144 58.139 58.000 -0.009 0.000 1.129 1260 F CB 0.725 39.714 39.000 -0.018 0.000 1.360 1260 F HN 0.708 nan 8.300 nan 0.000 0.473 1261 G N 3.866 112.452 108.800 -0.357 0.000 2.283 1261 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.280 1261 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.280 1261 G C 0.036 174.867 174.900 -0.116 0.000 1.029 1261 G CA 0.418 45.341 45.100 -0.296 0.000 0.840 1261 G HN 0.842 nan 8.290 nan 0.000 0.505 1262 D N -1.049 119.330 120.400 -0.036 0.000 4.488 1262 D HA -0.183 4.457 4.640 -0.000 0.000 0.303 1262 D C 1.012 177.338 176.300 0.042 0.000 2.374 1262 D CA 1.574 55.584 54.000 0.017 0.000 1.117 1262 D CB -0.913 39.895 40.800 0.012 0.000 1.102 1262 D HN 1.173 nan 8.370 nan 0.000 1.284 1263 E N -0.746 119.490 120.200 0.060 0.000 3.454 1263 E HA -0.355 3.995 4.350 -0.000 0.000 0.262 1263 E C -0.027 176.634 176.600 0.101 0.000 1.466 1263 E CA 1.231 57.676 56.400 0.076 0.000 2.118 1263 E CB -0.658 29.076 29.700 0.057 0.000 2.041 1263 E HN 0.750 nan 8.360 nan 0.000 0.490 1264 Q N 0.589 120.446 119.800 0.095 0.000 2.387 1264 Q HA -0.213 4.127 4.340 -0.000 0.000 0.342 1264 Q C -1.160 174.973 176.000 0.222 0.000 1.318 1264 Q CA 0.405 56.295 55.803 0.145 0.000 0.909 1264 Q CB -0.071 28.756 28.738 0.148 0.000 1.032 1264 Q HN 0.234 nan 8.270 nan 0.000 0.308 1265 R N 1.171 121.826 120.500 0.259 0.000 2.500 1265 R HA 0.496 4.836 4.340 -0.000 0.000 0.277 1265 R C 0.307 176.807 176.300 0.334 0.000 1.026 1265 R CA 0.035 56.297 56.100 0.270 0.000 1.058 1265 R CB 1.561 32.009 30.300 0.246 0.000 1.078 1265 R HN 0.603 nan 8.270 nan 0.000 0.509 1266 S N -0.397 115.446 115.700 0.239 0.000 2.501 1266 S HA 0.586 5.056 4.470 -0.000 0.000 0.301 1266 S C -0.328 174.347 174.600 0.124 0.000 1.096 1266 S CA -0.829 57.405 58.200 0.057 0.000 1.063 1266 S CB 1.882 65.066 63.200 -0.028 0.000 1.042 1266 S HN 0.212 nan 8.310 nan 0.000 0.494 1267 V N 2.565 122.537 119.914 0.097 0.000 2.376 1267 V HA 0.436 4.556 4.120 -0.000 0.000 0.287 1267 V C -0.561 175.545 176.094 0.020 0.000 1.015 1267 V CA -0.524 61.879 62.300 0.172 0.000 0.834 1267 V CB 1.111 33.145 31.823 0.353 0.000 1.001 1267 V HN 0.985 nan 8.190 nan 0.000 0.428 1268 E N 2.712 122.924 120.200 0.020 0.000 2.145 1268 E HA 0.550 4.899 4.350 -0.000 0.000 0.270 1268 E C -0.772 175.744 176.600 -0.140 0.000 0.906 1268 E CA -0.381 55.951 56.400 -0.114 0.000 0.761 1268 E CB 1.843 31.489 29.700 -0.089 0.000 1.116 1268 E HN 0.578 nan 8.360 nan 0.000 0.408 1269 S N 2.688 118.225 115.700 -0.271 0.000 2.437 1269 S HA 0.435 4.905 4.470 -0.000 0.000 0.305 1269 S C -0.866 173.508 174.600 -0.376 0.000 1.109 1269 S CA -0.694 57.398 58.200 -0.181 0.000 1.099 1269 S CB 0.302 63.448 63.200 -0.090 0.000 1.004 1269 S HN 0.310 nan 8.310 nan 0.000 0.475 1270 F N 2.041 121.990 119.950 -0.001 0.000 2.325 1270 F HA 0.340 4.867 4.527 -0.000 0.000 0.369 1270 F C 0.087 175.888 175.800 0.003 0.000 1.095 1270 F CA -0.899 57.102 58.000 0.003 0.000 1.082 1270 F CB 0.631 39.630 39.000 -0.001 0.000 1.289 1270 F HN 0.186 nan 8.300 nan 0.000 0.462 1271 V N 4.999 124.974 119.914 0.102 0.000 2.508 1271 V HA 0.082 4.202 4.120 -0.000 0.000 0.281 1271 V C 0.592 176.760 176.094 0.122 0.000 1.041 1271 V CA -0.610 61.743 62.300 0.088 0.000 1.016 1271 V CB 0.609 32.426 31.823 -0.010 0.000 0.984 1271 V HN 0.486 nan 8.190 nan 0.000 0.478 1272 L N 5.447 126.768 121.223 0.164 0.000 2.455 1272 L HA 0.213 4.553 4.340 -0.000 0.000 0.272 1272 L C 0.911 177.922 176.870 0.234 0.000 1.174 1272 L CA 0.006 54.950 54.840 0.175 0.000 0.869 1272 L CB -0.022 42.133 42.059 0.161 0.000 1.130 1272 L HN 0.763 nan 8.230 nan 0.000 0.474 1273 D N 0.892 121.399 120.400 0.179 0.000 3.012 1273 D HA -0.164 4.476 4.640 -0.000 0.000 0.222 1273 D C 0.137 176.522 176.300 0.142 0.000 1.167 1273 D CA 1.024 55.143 54.000 0.198 0.000 0.854 1273 D CB -0.542 40.447 40.800 0.314 0.000 1.107 1273 D HN 0.515 nan 8.370 nan 0.000 0.421 1274 R N 0.485 121.012 120.500 0.045 0.000 2.750 1274 R HA 0.456 4.796 4.340 -0.000 0.000 0.281 1274 R C -0.653 175.614 176.300 -0.054 0.000 0.972 1274 R CA -0.587 55.465 56.100 -0.080 0.000 0.912 1274 R CB 1.410 31.560 30.300 -0.249 0.000 1.187 1274 R HN -0.146 nan 8.270 nan 0.000 0.464 1275 D N 1.296 121.652 120.400 -0.073 0.000 2.446 1275 D HA 0.564 5.204 4.640 -0.000 0.000 0.251 1275 D C -0.755 175.499 176.300 -0.077 0.000 1.137 1275 D CA -0.187 53.783 54.000 -0.050 0.000 0.890 1275 D CB 1.733 42.515 40.800 -0.030 0.000 1.071 1275 D HN 0.590 nan 8.370 nan 0.000 0.528 1276 A N 1.795 124.567 122.820 -0.079 0.000 2.606 1276 A HA 0.607 4.927 4.320 -0.000 0.000 0.293 1276 A C -1.716 175.837 177.584 -0.051 0.000 1.082 1276 A CA -0.800 51.185 52.037 -0.086 0.000 0.685 1276 A CB 2.329 21.236 19.000 -0.156 0.000 1.284 1276 A HN 0.275 nan 8.150 nan 0.000 0.408 1277 D N 1.432 121.821 120.400 -0.019 0.000 2.620 1277 D HA 0.432 5.072 4.640 -0.000 0.000 0.252 1277 D C -0.481 175.868 176.300 0.081 0.000 1.207 1277 D CA -0.259 53.755 54.000 0.023 0.000 0.884 1277 D CB 1.432 42.250 40.800 0.031 0.000 1.262 1277 D HN 0.410 nan 8.370 nan 0.000 0.552 1278 L N 4.079 125.355 121.223 0.089 0.000 2.700 1278 L HA 0.131 4.471 4.340 -0.000 0.000 0.234 1278 L C 0.565 177.543 176.870 0.181 0.000 1.156 1278 L CA -0.652 54.288 54.840 0.167 0.000 0.946 1278 L CB -0.423 41.676 42.059 0.066 0.000 1.216 1278 L HN 0.448 nan 8.230 nan 0.000 0.493 1279 Y N 1.775 122.098 120.300 0.037 0.000 2.944 1279 Y HA 0.116 4.666 4.550 -0.000 0.000 0.340 1279 Y C 1.316 177.160 175.900 -0.093 0.000 1.275 1279 Y CA 0.914 59.005 58.100 -0.014 0.000 1.590 1279 Y CB 0.238 38.684 38.460 -0.023 0.000 1.218 1279 Y HN 0.317 nan 8.280 nan 0.000 0.576 1280 G N 3.429 111.769 108.800 -0.767 0.000 2.241 1280 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.244 1280 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.244 1280 G C 0.119 174.716 174.900 -0.506 0.000 0.998 1280 G CA 0.157 44.731 45.100 -0.877 0.000 0.621 1280 G HN 0.893 nan 8.290 nan 0.000 0.519 1281 H N 1.005 119.953 119.070 -0.203 0.000 2.505 1281 H HA 0.456 5.012 4.556 -0.000 0.000 0.351 1281 H C -0.507 174.780 175.328 -0.068 0.000 1.151 1281 H CA -0.162 55.819 56.048 -0.110 0.000 1.339 1281 H CB 1.035 30.751 29.762 -0.077 0.000 1.483 1281 H HN 0.244 nan 8.280 nan 0.000 0.558 1282 D N 1.482 121.941 120.400 0.099 0.000 2.312 1282 D HA 0.245 4.884 4.640 -0.000 0.000 0.252 1282 D C -0.473 175.872 176.300 0.075 0.000 1.150 1282 D CA -0.161 53.881 54.000 0.070 0.000 0.870 1282 D CB 0.791 41.624 40.800 0.056 0.000 1.153 1282 D HN 0.290 nan 8.370 nan 0.000 0.457 1283 V N 0.439 120.399 119.914 0.078 0.000 2.735 1283 V HA 0.556 4.676 4.120 -0.000 0.000 0.310 1283 V C -0.654 175.497 176.094 0.096 0.000 1.061 1283 V CA -1.078 61.264 62.300 0.070 0.000 0.913 1283 V CB 1.930 33.789 31.823 0.059 0.000 1.005 1283 V HN 0.360 nan 8.190 nan 0.000 0.428 1284 K N 2.845 123.287 120.400 0.070 0.000 2.185 1284 K HA 0.736 5.056 4.320 -0.000 0.000 0.269 1284 K C -1.501 175.145 176.600 0.077 0.000 0.987 1284 K CA -0.589 55.741 56.287 0.073 0.000 0.865 1284 K CB 1.897 34.379 32.500 -0.030 0.000 1.090 1284 K HN 0.734 nan 8.250 nan 0.000 0.450 1285 V N 4.564 124.538 119.914 0.100 0.000 2.350 1285 V HA 0.243 4.363 4.120 -0.000 0.000 0.285 1285 V C -0.625 175.473 176.094 0.007 0.000 1.014 1285 V CA -0.787 61.514 62.300 0.002 0.000 0.831 1285 V CB 1.250 33.038 31.823 -0.059 0.000 1.000 1285 V HN 0.824 nan 8.190 nan 0.000 0.433 1286 E N 4.090 124.296 120.200 0.010 0.000 2.197 1286 E HA 0.522 4.872 4.350 -0.000 0.000 0.281 1286 E C -1.318 175.251 176.600 -0.053 0.000 0.995 1286 E CA -0.397 56.084 56.400 0.136 0.000 0.808 1286 E CB 1.749 31.595 29.700 0.242 0.000 1.093 1286 E HN 0.532 nan 8.360 nan 0.000 0.394 1287 F N 2.061 122.090 119.950 0.132 0.000 2.420 1287 F HA 0.158 4.685 4.527 -0.000 0.000 0.342 1287 F C 0.955 176.780 175.800 0.042 0.000 1.113 1287 F CA -0.504 57.548 58.000 0.086 0.000 1.059 1287 F CB 1.159 40.229 39.000 0.117 0.000 1.128 1287 F HN 0.291 nan 8.300 nan 0.000 0.475 1288 V N 0.432 120.410 119.914 0.108 0.000 2.806 1288 V HA 0.150 4.270 4.120 -0.000 0.000 0.239 1288 V C -0.098 176.111 176.094 0.191 0.000 1.113 1288 V CA 0.740 63.068 62.300 0.047 0.000 1.137 1288 V CB 0.222 31.961 31.823 -0.140 0.000 0.865 1288 V HN 0.678 nan 8.190 nan 0.000 0.482 1289 D N -2.189 118.342 120.400 0.219 0.000 2.654 1289 D HA 0.199 4.839 4.640 -0.000 0.000 0.231 1289 D C -1.424 175.060 176.300 0.307 0.000 1.239 1289 D CA -0.475 53.669 54.000 0.240 0.000 0.790 1289 D CB 1.879 42.756 40.800 0.129 0.000 1.480 1289 D HN 0.210 nan 8.370 nan 0.000 0.442 1290 H N 1.711 120.878 119.070 0.162 0.000 2.764 1290 H HA 0.194 4.750 4.556 -0.000 0.000 0.341 1290 H C 0.127 175.370 175.328 -0.141 0.000 1.072 1290 H CA 0.357 56.338 56.048 -0.112 0.000 1.444 1290 H CB 1.244 30.943 29.762 -0.104 0.000 1.458 1290 H HN 0.064 nan 8.280 nan 0.000 0.572 1291 V N 5.441 124.917 119.914 -0.731 0.000 2.743 1291 V HA 0.108 4.228 4.120 -0.000 0.000 0.237 1291 V C 0.578 176.362 176.094 -0.518 0.000 1.113 1291 V CA 1.200 63.234 62.300 -0.444 0.000 1.141 1291 V CB 0.207 31.858 31.823 -0.287 0.000 0.873 1291 V HN 0.850 nan 8.190 nan 0.000 0.486 1292 R N -0.437 119.586 120.500 -0.795 0.000 2.712 1292 R HA 0.750 5.090 4.340 -0.000 0.000 0.272 1292 R C -0.831 175.305 176.300 -0.273 0.000 1.032 1292 R CA -0.223 55.644 56.100 -0.389 0.000 0.874 1292 R CB 1.545 31.744 30.300 -0.168 0.000 1.256 1292 R HN 0.092 nan 8.270 nan 0.000 0.468 1293 A N 2.216 125.048 122.820 0.020 0.000 2.296 1293 A HA 0.473 4.793 4.320 -0.000 0.000 0.264 1293 A C 0.326 177.910 177.584 0.000 0.000 1.097 1293 A CA -0.630 51.449 52.037 0.069 0.000 0.811 1293 A CB 0.279 19.318 19.000 0.066 0.000 1.072 1293 A HN 0.633 nan 8.150 nan 0.000 0.495 1294 M N 1.164 120.774 119.600 0.016 0.000 2.248 1294 M HA 0.214 4.694 4.480 -0.000 0.000 0.337 1294 M C 0.335 176.580 176.300 -0.091 0.000 1.121 1294 M CA 0.785 56.078 55.300 -0.012 0.000 1.155 1294 M CB -0.169 32.441 32.600 0.016 0.000 1.514 1294 M HN 0.865 nan 8.290 nan 0.000 0.452 1295 E N 1.066 121.144 120.200 -0.203 0.000 2.390 1295 E HA 0.515 4.865 4.350 -0.000 0.000 0.277 1295 E C -1.393 174.805 176.600 -0.670 0.000 0.939 1295 E CA -1.171 55.001 56.400 -0.380 0.000 0.769 1295 E CB 2.071 31.531 29.700 -0.399 0.000 1.251 1295 E HN 0.305 nan 8.360 nan 0.000 0.450 1296 K N 1.439 121.513 120.400 -0.544 0.000 2.118 1296 K HA 0.439 4.759 4.320 -0.000 0.000 0.267 1296 K C -1.062 175.162 176.600 -0.627 0.000 0.991 1296 K CA -0.447 55.556 56.287 -0.472 0.000 0.916 1296 K CB 0.652 33.035 32.500 -0.195 0.000 1.041 1296 K HN 0.389 nan 8.250 nan 0.000 0.455 1297 F N 1.109 121.048 119.950 -0.018 0.000 2.495 1297 F HA 0.138 4.665 4.527 -0.000 0.000 0.327 1297 F C 1.142 176.931 175.800 -0.019 0.000 1.103 1297 F CA -0.924 57.061 58.000 -0.024 0.000 0.949 1297 F CB 1.422 40.401 39.000 -0.036 0.000 1.142 1297 F HN 0.523 nan 8.300 nan 0.000 0.457 1298 D N -1.120 119.376 120.400 0.160 0.000 2.407 1298 D HA 0.134 4.774 4.640 -0.000 0.000 0.208 1298 D C 0.134 176.477 176.300 0.072 0.000 1.083 1298 D CA 0.228 54.278 54.000 0.084 0.000 0.844 1298 D CB 0.232 41.060 40.800 0.047 0.000 0.967 1298 D HN 0.321 nan 8.370 nan 0.000 0.506 1299 S N -1.582 114.168 115.700 0.084 0.000 2.607 1299 S HA 0.426 4.895 4.470 -0.000 0.000 0.273 1299 S C 0.546 175.148 174.600 0.004 0.000 1.148 1299 S CA -0.582 57.641 58.200 0.038 0.000 0.833 1299 S CB 1.580 64.796 63.200 0.028 0.000 1.130 1299 S HN -0.188 nan 8.310 nan 0.000 0.470 1300 V N 1.728 121.628 119.914 -0.022 0.000 2.379 1300 V HA -0.112 4.008 4.120 -0.000 0.000 0.245 1300 V C 2.766 178.812 176.094 -0.080 0.000 1.044 1300 V CA 2.349 64.610 62.300 -0.064 0.000 1.036 1300 V CB -1.246 30.553 31.823 -0.039 0.000 0.664 1300 V HN 1.030 nan 8.190 nan 0.000 0.453 1301 E N 0.581 120.755 120.200 -0.043 0.000 2.118 1301 E HA -0.343 4.007 4.350 -0.000 0.000 0.195 1301 E C 2.160 178.728 176.600 -0.054 0.000 0.992 1301 E CA 1.901 58.277 56.400 -0.041 0.000 0.804 1301 E CB -0.408 29.281 29.700 -0.018 0.000 0.741 1301 E HN 0.700 nan 8.360 nan 0.000 0.458 1302 Q N 0.317 120.096 119.800 -0.035 0.000 2.049 1302 Q HA -0.145 4.195 4.340 -0.000 0.000 0.198 1302 Q C 2.315 178.244 176.000 -0.119 0.000 0.971 1302 Q CA 1.094 56.897 55.803 -0.001 0.000 0.833 1302 Q CB -0.081 28.717 28.738 0.100 0.000 0.896 1302 Q HN 0.398 nan 8.270 nan 0.000 0.434 1303 L N 0.935 121.967 121.223 -0.318 0.000 1.989 1303 L HA -0.196 4.144 4.340 -0.000 0.000 0.211 1303 L C 2.063 178.604 176.870 -0.549 0.000 1.071 1303 L CA 1.793 56.118 54.840 -0.858 0.000 0.749 1303 L CB -0.687 40.929 42.059 -0.739 0.000 0.890 1303 L HN 0.335 nan 8.230 nan 0.000 0.431 1304 L N -0.751 120.284 121.223 -0.313 0.000 2.141 1304 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 1304 L C 2.529 179.300 176.870 -0.165 0.000 1.094 1304 L CA 1.342 56.052 54.840 -0.216 0.000 0.763 1304 L CB -0.560 41.420 42.059 -0.131 0.000 0.908 1304 L HN 0.403 nan 8.230 nan 0.000 0.437 1305 E N 0.403 120.525 120.200 -0.131 0.000 2.051 1305 E HA -0.185 4.165 4.350 -0.000 0.000 0.192 1305 E C 2.099 178.650 176.600 -0.082 0.000 0.991 1305 E CA 1.540 57.892 56.400 -0.080 0.000 0.799 1305 E CB -0.042 29.633 29.700 -0.043 0.000 0.748 1305 E HN 0.181 nan 8.360 nan 0.000 0.449 1306 V N 0.424 120.282 119.914 -0.094 0.000 2.427 1306 V HA -0.229 3.890 4.120 -0.000 0.000 0.248 1306 V C 2.440 178.460 176.094 -0.123 0.000 1.051 1306 V CA 1.872 64.140 62.300 -0.054 0.000 1.048 1306 V CB -0.469 31.405 31.823 0.085 0.000 0.666 1306 V HN 0.346 nan 8.190 nan 0.000 0.456 1307 M N 0.273 119.739 119.600 -0.224 0.000 2.082 1307 M HA -0.202 4.278 4.480 -0.000 0.000 0.258 1307 M C 2.151 178.345 176.300 -0.176 0.000 1.069 1307 M CA 2.323 57.463 55.300 -0.267 0.000 1.102 1307 M CB -0.496 31.903 32.600 -0.334 0.000 1.336 1307 M HN 0.341 nan 8.290 nan 0.000 0.404 1308 A N -0.735 122.009 122.820 -0.128 0.000 1.930 1308 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 1308 A C 2.163 179.707 177.584 -0.067 0.000 1.175 1308 A CA 1.873 53.861 52.037 -0.082 0.000 0.627 1308 A CB -0.687 18.277 19.000 -0.061 0.000 0.815 1308 A HN 0.506 nan 8.150 nan 0.000 0.443 1309 K N -0.479 119.881 120.400 -0.066 0.000 2.097 1309 K HA -0.177 4.143 4.320 -0.000 0.000 0.205 1309 K C 1.238 177.799 176.600 -0.064 0.000 1.050 1309 K CA 1.517 57.772 56.287 -0.053 0.000 0.938 1309 K CB -0.193 32.282 32.500 -0.041 0.000 0.718 1309 K HN 0.383 nan 8.250 nan 0.000 0.442 1310 D N 0.344 120.692 120.400 -0.085 0.000 2.123 1310 D HA -0.150 4.490 4.640 -0.000 0.000 0.196 1310 D C 1.914 178.165 176.300 -0.083 0.000 0.992 1310 D CA 0.950 54.891 54.000 -0.097 0.000 0.833 1310 D CB -0.197 40.524 40.800 -0.131 0.000 0.954 1310 D HN 0.020 nan 8.370 nan 0.000 0.455 1311 V N 0.649 120.518 119.914 -0.076 0.000 2.358 1311 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 1311 V C 2.591 178.661 176.094 -0.040 0.000 1.047 1311 V CA 1.615 63.886 62.300 -0.049 0.000 1.035 1311 V CB -0.489 31.314 31.823 -0.033 0.000 0.658 1311 V HN 0.191 nan 8.190 nan 0.000 0.452 1312 Q N 0.128 119.905 119.800 -0.039 0.000 2.050 1312 Q HA -0.266 4.074 4.340 -0.000 0.000 0.202 1312 Q C 2.298 178.277 176.000 -0.036 0.000 0.980 1312 Q CA 1.994 57.778 55.803 -0.030 0.000 0.840 1312 Q CB -0.068 28.653 28.738 -0.027 0.000 0.898 1312 Q HN 0.588 nan 8.270 nan 0.000 0.424 1313 K N -0.681 119.692 120.400 -0.045 0.000 2.097 1313 K HA -0.101 4.219 4.320 -0.000 0.000 0.206 1313 K C 2.130 178.696 176.600 -0.057 0.000 1.049 1313 K CA 1.744 58.002 56.287 -0.048 0.000 0.933 1313 K CB -0.086 32.378 32.500 -0.059 0.000 0.717 1313 K HN 0.211 nan 8.250 nan 0.000 0.442 1314 T N 0.787 115.298 114.554 -0.070 0.000 2.746 1314 T HA -0.110 4.240 4.350 -0.000 0.000 0.267 1314 T C 1.756 176.394 174.700 -0.102 0.000 1.039 1314 T CA 1.132 63.175 62.100 -0.095 0.000 1.142 1314 T CB -0.121 68.688 68.868 -0.098 0.000 0.866 1314 T HN 0.224 nan 8.240 nan 0.000 0.444 1315 R N 0.574 121.033 120.500 -0.067 0.000 2.096 1315 R HA -0.104 4.236 4.340 -0.000 0.000 0.240 1315 R C 2.755 179.033 176.300 -0.037 0.000 1.139 1315 R CA 1.832 57.903 56.100 -0.048 0.000 0.952 1315 R CB -0.824 29.464 30.300 -0.020 0.000 0.854 1315 R HN 0.330 nan 8.270 nan 0.000 0.436 1316 T N 1.592 116.128 114.554 -0.029 0.000 2.674 1316 T HA -0.093 4.257 4.350 -0.000 0.000 0.265 1316 T C 1.928 176.621 174.700 -0.013 0.000 1.039 1316 T CA 1.138 63.229 62.100 -0.015 0.000 1.150 1316 T CB -0.191 68.669 68.868 -0.013 0.000 0.864 1316 T HN 0.119 nan 8.240 nan 0.000 0.427 1317 L N 0.375 121.580 121.223 -0.030 0.000 2.083 1317 L HA -0.021 4.319 4.340 -0.000 0.000 0.209 1317 L C 2.433 179.287 176.870 -0.026 0.000 1.083 1317 L CA 1.083 55.910 54.840 -0.021 0.000 0.752 1317 L CB -0.514 41.525 42.059 -0.034 0.000 0.899 1317 L HN 0.247 nan 8.230 nan 0.000 0.433 1318 L N -0.925 120.243 121.223 -0.093 0.000 2.240 1318 L HA -0.066 4.274 4.340 -0.000 0.000 0.211 1318 L C 2.825 179.724 176.870 0.047 0.000 1.106 1318 L CA 0.657 55.422 54.840 -0.126 0.000 0.793 1318 L CB -0.636 41.155 42.059 -0.446 0.000 0.927 1318 L HN 0.214 nan 8.230 nan 0.000 0.446 1319 A N -0.065 122.775 122.820 0.032 0.000 1.902 1319 A HA -0.252 4.068 4.320 -0.000 0.000 0.217 1319 A C 2.212 179.837 177.584 0.069 0.000 1.181 1319 A CA 1.533 53.606 52.037 0.060 0.000 0.623 1319 A CB -0.403 18.620 19.000 0.039 0.000 0.818 1319 A HN 0.457 nan 8.150 nan 0.000 0.443 1320 Q N -1.084 118.754 119.800 0.063 0.000 2.119 1320 Q HA -0.200 4.140 4.340 -0.000 0.000 0.201 1320 Q C 1.787 177.859 176.000 0.120 0.000 0.972 1320 Q CA 1.486 57.332 55.803 0.072 0.000 0.847 1320 Q CB -0.218 28.554 28.738 0.057 0.000 0.903 1320 Q HN 0.773 nan 8.270 nan 0.000 0.433 1321 D N -0.093 120.416 120.400 0.181 0.000 2.117 1321 D HA -0.131 4.509 4.640 -0.000 0.000 0.198 1321 D C 1.774 178.273 176.300 0.332 0.000 0.982 1321 D CA 0.796 54.999 54.000 0.338 0.000 0.828 1321 D CB 0.164 41.209 40.800 0.408 0.000 0.967 1321 D HN -0.025 nan 8.370 nan 0.000 0.464 1322 V N 0.395 120.424 119.914 0.192 0.000 2.343 1322 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 1322 V C 2.524 178.645 176.094 0.045 0.000 1.051 1322 V CA 2.025 64.330 62.300 0.009 0.000 1.036 1322 V CB -0.665 31.065 31.823 -0.155 0.000 0.654 1322 V HN 0.352 nan 8.190 nan 0.000 0.451 1323 Q N 0.075 119.912 119.800 0.061 0.000 1.993 1323 Q HA -0.206 4.134 4.340 -0.000 0.000 0.202 1323 Q C 2.283 178.293 176.000 0.018 0.000 0.984 1323 Q CA 2.003 57.831 55.803 0.042 0.000 0.837 1323 Q CB -0.385 28.374 28.738 0.036 0.000 0.902 1323 Q HN 0.587 nan 8.270 nan 0.000 0.423 1324 A N 0.153 122.974 122.820 0.002 0.000 2.093 1324 A HA -0.209 4.111 4.320 -0.000 0.000 0.222 1324 A C 1.223 178.603 177.584 -0.341 0.000 1.162 1324 A CA 1.743 53.691 52.037 -0.149 0.000 0.655 1324 A CB -0.536 18.369 19.000 -0.159 0.000 0.805 1324 A HN 0.583 nan 8.150 nan 0.000 0.461 1325 H N -2.394 116.693 119.070 0.029 0.000 3.058 1325 H HA 0.128 4.684 4.556 -0.000 0.000 0.266 1325 H C 0.110 175.430 175.328 -0.012 0.000 1.135 1325 H CA 0.348 56.398 56.048 0.003 0.000 1.174 1325 H CB 0.644 30.400 29.762 -0.010 0.000 1.581 1325 H HN 0.346 nan 8.280 nan 0.000 0.553 1326 K N 0.105 120.548 120.400 0.072 0.000 3.426 1326 K HA -0.211 4.109 4.320 -0.000 0.000 0.315 1326 K C 0.480 177.116 176.600 0.060 0.000 1.293 1326 K CA 0.460 56.778 56.287 0.052 0.000 0.955 1326 K CB -2.128 30.396 32.500 0.039 0.000 1.238 1326 K HN 0.464 nan 8.250 nan 0.000 0.441 1327 M N 0.493 120.116 119.600 0.038 0.000 2.146 1327 M HA -0.187 4.293 4.480 -0.000 0.000 0.401 1327 M C 0.835 177.242 176.300 0.179 0.000 1.144 1327 M CA 1.239 56.546 55.300 0.013 0.000 0.764 1327 M CB 0.035 32.476 32.600 -0.264 0.000 1.819 1327 M HN 0.292 nan 8.290 nan 0.000 0.513 1328 A N 6.064 128.970 122.820 0.143 0.000 2.409 1328 A HA 0.364 4.684 4.320 -0.000 0.000 0.267 1328 A C -1.628 175.999 177.584 0.072 0.000 1.127 1328 A CA -1.530 50.566 52.037 0.100 0.000 0.795 1328 A CB -0.029 18.980 19.000 0.015 0.000 1.061 1328 A HN 0.614 nan 8.150 nan 0.000 0.502 1329 P HA -0.284 nan 4.420 nan 0.000 0.218 1329 P C 1.260 178.256 177.300 -0.507 0.000 1.154 1329 P CA 2.058 64.914 63.100 -0.408 0.000 0.872 1329 P CB 0.104 31.685 31.700 -0.199 0.000 0.790 1330 E N -0.693 119.357 120.200 -0.250 0.000 2.338 1330 E HA -0.120 4.230 4.350 -0.000 0.000 0.197 1330 E C 1.227 177.710 176.600 -0.195 0.000 1.007 1330 E CA 1.622 57.904 56.400 -0.196 0.000 0.849 1330 E CB -1.061 28.571 29.700 -0.113 0.000 0.774 1330 E HN 0.304 nan 8.360 nan 0.000 0.506 1331 T N -1.917 112.529 114.554 -0.180 0.000 3.065 1331 T HA 0.049 4.399 4.350 -0.000 0.000 0.252 1331 T C 0.369 174.996 174.700 -0.122 0.000 1.099 1331 T CA -0.022 62.007 62.100 -0.118 0.000 1.063 1331 T CB -0.477 68.355 68.868 -0.061 0.000 0.948 1331 T HN 0.432 nan 8.240 nan 0.000 0.506 1332 Y N -1.037 119.116 120.300 -0.244 0.000 2.615 1332 Y HA 0.743 5.293 4.550 -0.000 0.000 0.341 1332 Y C -1.551 174.279 175.900 -0.117 0.000 1.089 1332 Y CA -3.168 54.761 58.100 -0.285 0.000 1.049 1332 Y CB 1.159 39.306 38.460 -0.522 0.000 1.296 1332 Y HN -0.023 nan 8.280 nan 0.000 0.470 1333 F N 3.936 123.835 119.950 -0.084 0.000 2.460 1333 F HA 0.739 5.266 4.527 -0.000 0.000 0.341 1333 F C -1.960 174.049 175.800 0.348 0.000 1.130 1333 F CA -1.076 56.906 58.000 -0.030 0.000 0.962 1333 F CB 1.460 40.306 39.000 -0.256 0.000 1.171 1333 F HN 0.653 nan 8.300 nan 0.000 0.436 1334 L N 6.303 127.479 121.223 -0.079 0.000 2.596 1334 L HA 0.387 4.727 4.340 -0.000 0.000 0.265 1334 L C -1.527 175.227 176.870 -0.192 0.000 0.962 1334 L CA -0.174 54.703 54.840 0.061 0.000 0.891 1334 L CB 1.971 44.267 42.059 0.394 0.000 1.248 1334 L HN 0.636 nan 8.230 nan 0.000 0.410 1335 Q N 3.114 122.771 119.800 -0.237 0.000 2.288 1335 Q HA 0.512 4.852 4.340 -0.000 0.000 0.254 1335 Q C 0.950 176.927 176.000 -0.038 0.000 0.932 1335 Q CA 0.270 55.980 55.803 -0.157 0.000 0.902 1335 Q CB 1.912 30.596 28.738 -0.091 0.000 1.203 1335 Q HN 0.877 nan 8.270 nan 0.000 0.415 1336 A N 3.061 125.867 122.820 -0.024 0.000 2.015 1336 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 1336 A C 0.625 178.211 177.584 0.003 0.000 1.163 1336 A CA 1.225 53.263 52.037 0.001 0.000 0.646 1336 A CB 0.206 19.208 19.000 0.004 0.000 0.806 1336 A HN 0.755 nan 8.150 nan 0.000 0.448 1337 E N -1.329 118.873 120.200 0.003 0.000 2.343 1337 E HA 0.495 4.845 4.350 -0.000 0.000 0.270 1337 E C -0.491 176.123 176.600 0.023 0.000 0.895 1337 E CA -0.533 55.874 56.400 0.011 0.000 0.767 1337 E CB 1.873 31.578 29.700 0.010 0.000 1.248 1337 E HN 0.184 nan 8.360 nan 0.000 0.440 1338 S N 0.000 115.715 115.700 0.025 0.000 2.498 1338 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 1338 S CA 0.000 58.222 58.200 0.036 0.000 1.107 1338 S CB 0.000 63.215 63.200 0.026 0.000 0.593 1338 S HN 0.000 nan 8.310 nan 0.000 0.517