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 2ny2_1_B DATA FIRST_RESID 1001 DATA SEQUENCE KKVVLGKKGD TVELTcTASQ KKSIQFHWKN SNQIKILGNQ GSFLTKGPSK DATA SEQUENCE LNDRADSRRS LWDQGNFPLI IKNLKIEDSD TYIcEVEDQK EEVQLLVFGL DATA SEQUENCE TANSDTHLLQ GQSLTLTLES PPGSSPSVQc RSPRGKNIQG GKTLSVSQLE DATA SEQUENCE LQDSGTWTcT VLQNQKKVEF KIDIVVLAFQ K 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 K HA 0.000 nan 4.320 nan 0.000 0.191 1001 K C 0.000 176.634 176.600 0.057 0.000 0.988 1001 K CA 0.000 56.315 56.287 0.047 0.000 0.838 1001 K CB 0.000 32.522 32.500 0.037 0.000 1.064 1002 K N 1.522 121.964 120.400 0.069 0.000 2.401 1002 K HA 0.191 4.511 4.320 -0.000 0.000 0.278 1002 K C -0.265 176.388 176.600 0.089 0.000 1.018 1002 K CA 0.028 56.361 56.287 0.078 0.000 0.981 1002 K CB 1.411 33.965 32.500 0.091 0.000 0.933 1002 K HN -0.046 nan 8.250 nan 0.000 0.477 1003 V N 3.654 123.618 119.914 0.083 0.000 2.487 1003 V HA 0.319 4.439 4.120 -0.000 0.000 0.298 1003 V C -0.333 175.816 176.094 0.092 0.000 1.028 1003 V CA -0.945 61.410 62.300 0.092 0.000 0.860 1003 V CB 2.047 33.922 31.823 0.087 0.000 0.991 1003 V HN 0.379 nan 8.190 nan 0.000 0.427 1004 V N 6.131 126.105 119.914 0.099 0.000 2.487 1004 V HA 0.496 4.615 4.120 -0.000 0.000 0.298 1004 V C -0.255 175.900 176.094 0.102 0.000 1.028 1004 V CA -0.549 61.803 62.300 0.086 0.000 0.860 1004 V CB 1.874 33.738 31.823 0.068 0.000 0.991 1004 V HN 0.636 nan 8.190 nan 0.000 0.427 1005 L N 4.155 125.447 121.223 0.115 0.000 2.307 1005 L HA 0.826 5.166 4.340 -0.000 0.000 0.282 1005 L C 0.729 177.669 176.870 0.117 0.000 1.051 1005 L CA -0.146 54.798 54.840 0.173 0.000 0.804 1005 L CB 1.470 43.668 42.059 0.232 0.000 1.197 1005 L HN 0.768 nan 8.230 nan 0.000 0.431 1006 G N 1.975 110.851 108.800 0.127 0.000 2.533 1006 G HA2 0.593 4.553 3.960 -0.000 0.000 0.304 1006 G HA3 0.593 4.553 3.960 -0.000 0.000 0.304 1006 G C -1.267 173.704 174.900 0.117 0.000 1.263 1006 G CA -0.643 44.499 45.100 0.069 0.000 0.964 1006 G HN 0.482 nan 8.290 nan 0.000 0.479 1007 K N 0.871 121.299 120.400 0.048 0.000 2.206 1007 K HA 0.273 4.593 4.320 -0.000 0.000 0.264 1007 K C -0.000 176.676 176.600 0.126 0.000 0.967 1007 K CA -0.730 55.609 56.287 0.087 0.000 0.844 1007 K CB 2.350 34.759 32.500 -0.152 0.000 1.099 1007 K HN 0.461 nan 8.250 nan 0.000 0.441 1008 K N 1.271 121.800 120.400 0.215 0.000 2.466 1008 K HA -0.113 4.207 4.320 -0.000 0.000 0.278 1008 K C 0.705 177.365 176.600 0.101 0.000 1.048 1008 K CA 1.415 57.783 56.287 0.136 0.000 1.088 1008 K CB -0.084 32.501 32.500 0.142 0.000 0.884 1008 K HN 0.867 nan 8.250 nan 0.000 0.478 1009 G N 3.196 112.030 108.800 0.055 0.000 2.217 1009 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.246 1009 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.246 1009 G C 0.050 174.963 174.900 0.021 0.000 0.990 1009 G CA 0.273 45.395 45.100 0.038 0.000 0.627 1009 G HN 0.693 nan 8.290 nan 0.000 0.522 1010 D N 0.359 120.769 120.400 0.017 0.000 2.440 1010 D HA 0.633 5.273 4.640 -0.000 0.000 0.269 1010 D C 0.635 176.924 176.300 -0.018 0.000 1.249 1010 D CA 0.632 54.628 54.000 -0.006 0.000 1.055 1010 D CB 0.479 41.266 40.800 -0.022 0.000 1.104 1010 D HN 0.097 nan 8.370 nan 0.000 0.561 1011 T N -0.144 114.392 114.554 -0.030 0.000 2.829 1011 T HA 0.529 4.879 4.350 -0.000 0.000 0.280 1011 T C -0.927 173.741 174.700 -0.053 0.000 0.999 1011 T CA -0.581 61.493 62.100 -0.044 0.000 0.983 1011 T CB 1.641 70.483 68.868 -0.043 0.000 0.968 1011 T HN 0.070 nan 8.240 nan 0.000 0.446 1012 V N 2.424 122.294 119.914 -0.073 0.000 2.680 1012 V HA 0.625 4.744 4.120 -0.000 0.000 0.309 1012 V C -0.890 175.137 176.094 -0.111 0.000 1.052 1012 V CA -0.859 61.393 62.300 -0.081 0.000 0.908 1012 V CB 1.874 33.650 31.823 -0.080 0.000 1.001 1012 V HN 0.969 nan 8.190 nan 0.000 0.431 1013 E N 5.809 125.954 120.200 -0.092 0.000 2.129 1013 E HA 0.504 4.853 4.350 -0.000 0.000 0.268 1013 E C -1.493 175.048 176.600 -0.099 0.000 0.900 1013 E CA -0.591 55.746 56.400 -0.104 0.000 0.755 1013 E CB 1.278 30.940 29.700 -0.063 0.000 1.117 1013 E HN 0.713 nan 8.360 nan 0.000 0.410 1014 L N 4.447 125.561 121.223 -0.181 0.000 2.275 1014 L HA 0.366 4.705 4.340 -0.000 0.000 0.288 1014 L C 0.554 177.458 176.870 0.056 0.000 1.046 1014 L CA -0.820 53.951 54.840 -0.116 0.000 0.805 1014 L CB 1.307 43.169 42.059 -0.329 0.000 1.193 1014 L HN 0.619 nan 8.230 nan 0.000 0.426 1015 T N -0.709 113.962 114.554 0.194 0.000 2.909 1015 T HA 0.461 4.811 4.350 -0.000 0.000 0.289 1015 T C -0.381 174.542 174.700 0.371 0.000 1.005 1015 T CA -0.697 61.539 62.100 0.227 0.000 1.084 1015 T CB 1.691 70.628 68.868 0.115 0.000 0.975 1015 T HN 0.675 nan 8.240 nan 0.000 0.509 1016 c N 3.150 121.917 118.600 0.277 0.000 2.716 1016 c HA 0.683 5.253 4.570 -0.000 0.000 0.366 1016 c C -0.563 173.577 174.090 0.084 0.000 1.073 1016 c CA -0.221 56.200 56.329 0.154 0.000 1.260 1016 c CB 0.244 42.803 42.510 0.082 0.000 1.755 1016 c HN 1.134 nan 8.230 nan 0.000 0.475 1017 T N 4.533 119.118 114.554 0.052 0.000 2.863 1017 T HA 0.787 5.137 4.350 -0.000 0.000 0.285 1017 T C 0.066 174.812 174.700 0.076 0.000 1.009 1017 T CA -0.210 61.897 62.100 0.012 0.000 0.989 1017 T CB 1.753 70.612 68.868 -0.014 0.000 1.004 1017 T HN 1.106 nan 8.240 nan 0.000 0.455 1018 A N 1.375 124.264 122.820 0.115 0.000 2.256 1018 A HA 0.697 5.017 4.320 -0.000 0.000 0.318 1018 A C 1.422 179.045 177.584 0.066 0.000 1.103 1018 A CA -0.612 51.513 52.037 0.147 0.000 0.860 1018 A CB 0.491 19.670 19.000 0.298 0.000 1.182 1018 A HN 0.747 nan 8.150 nan 0.000 0.501 1019 S N -0.488 115.246 115.700 0.055 0.000 2.383 1019 S HA -0.069 4.401 4.470 -0.000 0.000 0.227 1019 S C 0.920 175.538 174.600 0.030 0.000 1.026 1019 S CA 1.597 59.816 58.200 0.032 0.000 0.981 1019 S CB -0.256 62.959 63.200 0.025 0.000 0.818 1019 S HN 0.778 nan 8.310 nan 0.000 0.472 1020 Q N 0.515 120.342 119.800 0.044 0.000 2.257 1020 Q HA 0.461 4.800 4.340 -0.000 0.000 0.262 1020 Q C -1.295 174.729 176.000 0.040 0.000 0.997 1020 Q CA -0.887 54.939 55.803 0.038 0.000 0.873 1020 Q CB 0.975 29.738 28.738 0.042 0.000 1.312 1020 Q HN -0.046 nan 8.270 nan 0.000 0.450 1021 K N 1.885 122.299 120.400 0.024 0.000 2.278 1021 K HA 0.198 4.518 4.320 -0.000 0.000 0.237 1021 K C -0.661 175.963 176.600 0.040 0.000 1.229 1021 K CA -0.033 56.262 56.287 0.014 0.000 1.155 1021 K CB 0.087 32.587 32.500 -0.000 0.000 1.590 1021 K HN 0.388 nan 8.250 nan 0.000 0.290 1022 K N 0.497 120.945 120.400 0.079 0.000 2.551 1022 K HA 0.166 4.486 4.320 -0.000 0.000 0.269 1022 K C -1.221 175.508 176.600 0.216 0.000 0.949 1022 K CA -0.548 55.808 56.287 0.115 0.000 0.849 1022 K CB 2.191 34.747 32.500 0.093 0.000 1.411 1022 K HN 0.136 nan 8.250 nan 0.000 0.432 1023 S N 4.007 119.848 115.700 0.236 0.000 2.430 1023 S HA 0.357 4.826 4.470 -0.000 0.000 0.282 1023 S C 0.116 174.848 174.600 0.220 0.000 1.186 1023 S CA -0.645 57.770 58.200 0.359 0.000 1.060 1023 S CB -0.635 62.783 63.200 0.364 0.000 0.966 1023 S HN 0.438 nan 8.310 nan 0.000 0.501 1024 I N 1.940 122.609 120.570 0.165 0.000 3.294 1024 I HA 0.554 4.724 4.170 -0.000 0.000 0.311 1024 I C -0.206 175.772 176.117 -0.232 0.000 1.111 1024 I CA -1.464 59.817 61.300 -0.032 0.000 0.976 1024 I CB 1.448 39.438 38.000 -0.017 0.000 1.260 1024 I HN 0.400 nan 8.210 nan 0.000 0.474 1025 Q N 1.904 121.581 119.800 -0.206 0.000 2.286 1025 Q HA 0.318 4.657 4.340 -0.000 0.000 0.267 1025 Q C -1.526 174.279 176.000 -0.325 0.000 1.028 1025 Q CA -0.154 55.490 55.803 -0.265 0.000 0.901 1025 Q CB 0.461 29.097 28.738 -0.169 0.000 1.183 1025 Q HN 0.537 nan 8.270 nan 0.000 0.392 1026 F N 1.306 120.913 119.950 -0.572 0.000 2.620 1026 F HA 0.695 5.222 4.527 -0.000 0.000 0.320 1026 F C -1.595 174.027 175.800 -0.297 0.000 1.069 1026 F CA -1.093 56.579 58.000 -0.546 0.000 0.953 1026 F CB 1.534 39.996 39.000 -0.896 0.000 1.322 1026 F HN 0.584 nan 8.300 nan 0.000 0.479 1027 H N 0.077 119.009 119.070 -0.231 0.000 3.029 1027 H HA 0.378 4.934 4.556 -0.000 0.000 0.358 1027 H C -2.245 173.066 175.328 -0.029 0.000 1.129 1027 H CA -0.779 55.162 56.048 -0.179 0.000 1.230 1027 H CB 1.430 31.089 29.762 -0.172 0.000 1.827 1027 H HN 0.781 nan 8.280 nan 0.000 0.530 1028 W N 4.159 125.579 121.300 0.201 0.000 2.433 1028 W HA 0.531 5.191 4.660 -0.001 0.000 0.315 1028 W C -0.504 176.189 176.519 0.290 0.000 1.087 1028 W CA -0.447 57.046 57.345 0.247 0.000 1.205 1028 W CB 1.320 30.905 29.460 0.209 0.000 1.288 1028 W HN 0.333 nan 8.180 nan 0.000 0.504 1029 K N 2.007 122.682 120.400 0.458 0.000 2.433 1029 K HA 0.375 4.695 4.320 -0.000 0.000 0.252 1029 K C -0.245 176.537 176.600 0.302 0.000 1.015 1029 K CA -1.142 55.334 56.287 0.315 0.000 0.860 1029 K CB 1.638 34.230 32.500 0.153 0.000 1.359 1029 K HN 0.471 nan 8.250 nan 0.000 0.452 1030 N N -1.264 117.527 118.700 0.152 0.000 2.538 1030 N HA 0.056 4.796 4.740 -0.000 0.000 0.292 1030 N C 0.600 176.068 175.510 -0.069 0.000 1.262 1030 N CA -0.432 52.580 53.050 -0.064 0.000 0.976 1030 N CB 0.299 38.688 38.487 -0.162 0.000 1.161 1030 N HN 0.485 nan 8.380 nan 0.000 0.598 1031 S N -1.462 114.152 115.700 -0.143 0.000 2.442 1031 S HA -0.069 4.400 4.470 -0.000 0.000 0.236 1031 S C 0.614 175.185 174.600 -0.048 0.000 1.007 1031 S CA 0.528 58.678 58.200 -0.082 0.000 0.965 1031 S CB -0.547 62.595 63.200 -0.096 0.000 0.773 1031 S HN 0.597 nan 8.310 nan 0.000 0.504 1032 N N 1.209 119.883 118.700 -0.044 0.000 2.276 1032 N HA 0.132 4.871 4.740 -0.000 0.000 0.212 1032 N C -0.213 175.290 175.510 -0.012 0.000 1.127 1032 N CA 0.150 53.185 53.050 -0.024 0.000 0.834 1032 N CB 0.188 38.662 38.487 -0.022 0.000 1.014 1032 N HN 0.256 nan 8.380 nan 0.000 0.491 1033 Q N -0.894 118.903 119.800 -0.006 0.000 2.460 1033 Q HA -0.184 4.155 4.340 -0.000 0.000 0.248 1033 Q C -0.117 175.891 176.000 0.012 0.000 0.847 1033 Q CA 0.696 56.500 55.803 0.001 0.000 1.214 1033 Q CB -2.197 26.532 28.738 -0.014 0.000 1.523 1033 Q HN 0.520 nan 8.270 nan 0.000 0.602 1034 I N 1.527 122.115 120.570 0.030 0.000 2.496 1034 I HA 0.019 4.189 4.170 -0.000 0.000 0.285 1034 I C 0.957 177.133 176.117 0.099 0.000 1.080 1034 I CA 0.063 61.393 61.300 0.050 0.000 1.404 1034 I CB 0.458 38.489 38.000 0.052 0.000 1.403 1034 I HN -0.173 nan 8.210 nan 0.000 0.539 1035 K N 5.804 126.264 120.400 0.099 0.000 2.379 1035 K HA 0.158 4.478 4.320 -0.000 0.000 0.284 1035 K C 0.570 177.309 176.600 0.232 0.000 1.044 1035 K CA -0.236 56.166 56.287 0.191 0.000 0.974 1035 K CB 0.967 33.565 32.500 0.163 0.000 0.962 1035 K HN 0.477 nan 8.250 nan 0.000 0.474 1036 I N 2.675 123.422 120.570 0.296 0.000 2.512 1036 I HA 0.160 4.330 4.170 -0.000 0.000 0.247 1036 I C 0.664 176.873 176.117 0.153 0.000 1.094 1036 I CA 0.792 62.226 61.300 0.224 0.000 1.427 1036 I CB -0.681 37.478 38.000 0.265 0.000 1.149 1036 I HN 0.583 nan 8.210 nan 0.000 0.438 1037 L N -1.074 120.222 121.223 0.122 0.000 2.866 1037 L HA 0.647 4.987 4.340 -0.000 0.000 0.262 1037 L C -1.230 175.385 176.870 -0.425 0.000 0.986 1037 L CA -0.274 54.539 54.840 -0.044 0.000 0.925 1037 L CB 1.840 43.946 42.059 0.078 0.000 1.484 1037 L HN 0.253 nan 8.230 nan 0.000 0.414 1038 G N 1.311 109.728 108.800 -0.638 0.000 2.427 1038 G HA2 0.379 4.339 3.960 -0.000 0.000 0.306 1038 G HA3 0.379 4.339 3.960 -0.000 0.000 0.306 1038 G C -2.233 172.091 174.900 -0.960 0.000 1.280 1038 G CA -0.215 44.139 45.100 -1.242 0.000 0.837 1038 G HN 1.005 nan 8.290 nan 0.000 0.482 1039 N N -0.401 117.610 118.700 -1.149 0.000 2.292 1039 N HA 0.569 5.309 4.740 -0.000 0.000 0.303 1039 N C -1.286 174.052 175.510 -0.287 0.000 1.140 1039 N CA -0.769 51.923 53.050 -0.597 0.000 0.788 1039 N CB 2.208 40.204 38.487 -0.819 0.000 1.361 1039 N HN 0.330 nan 8.380 nan 0.000 0.489 1040 Q N 0.667 120.441 119.800 -0.043 0.000 2.464 1040 Q HA 0.423 4.763 4.340 -0.000 0.000 0.256 1040 Q C 0.720 176.786 176.000 0.109 0.000 1.020 1040 Q CA -0.089 55.736 55.803 0.037 0.000 0.716 1040 Q CB 1.033 29.831 28.738 0.100 0.000 1.230 1040 Q HN 1.055 nan 8.270 nan 0.000 0.494 1041 G N 2.482 111.298 108.800 0.026 0.000 2.565 1041 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.295 1041 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.295 1041 G C 0.565 175.481 174.900 0.026 0.000 1.165 1041 G CA 0.591 45.703 45.100 0.019 0.000 0.977 1041 G HN 0.768 nan 8.290 nan 0.000 0.546 1042 S N 0.156 115.777 115.700 -0.130 0.000 2.597 1042 S HA 0.621 5.091 4.470 -0.000 0.000 0.224 1042 S C 0.144 174.660 174.600 -0.141 0.000 0.955 1042 S CA 0.107 58.242 58.200 -0.108 0.000 0.933 1042 S CB -0.002 63.021 63.200 -0.295 0.000 0.788 1042 S HN 0.574 nan 8.310 nan 0.000 0.488 1043 F N 1.072 121.189 119.950 0.277 0.000 2.492 1043 F HA 0.636 5.162 4.527 -0.000 0.000 0.327 1043 F C -0.178 175.797 175.800 0.291 0.000 1.079 1043 F CA -1.803 56.337 58.000 0.233 0.000 0.967 1043 F CB 1.208 40.279 39.000 0.118 0.000 1.169 1043 F HN 0.012 nan 8.300 nan 0.000 0.472 1044 L N 2.578 124.108 121.223 0.513 0.000 2.326 1044 L HA 0.592 4.931 4.340 -0.000 0.000 0.278 1044 L C 0.167 177.153 176.870 0.192 0.000 1.092 1044 L CA 0.149 55.224 54.840 0.392 0.000 0.810 1044 L CB 0.890 43.180 42.059 0.384 0.000 1.153 1044 L HN 0.784 nan 8.230 nan 0.000 0.439 1045 T N 1.603 116.200 114.554 0.071 0.000 2.885 1045 T HA 0.631 4.981 4.350 -0.000 0.000 0.285 1045 T C -0.511 174.196 174.700 0.013 0.000 1.019 1045 T CA -0.975 61.142 62.100 0.029 0.000 1.010 1045 T CB 1.442 70.312 68.868 0.004 0.000 1.022 1045 T HN 0.601 nan 8.240 nan 0.000 0.466 1046 K N 1.021 121.445 120.400 0.040 0.000 2.378 1046 K HA 0.634 4.954 4.320 -0.000 0.000 0.252 1046 K C 0.289 176.931 176.600 0.070 0.000 0.931 1046 K CA -1.021 55.297 56.287 0.050 0.000 0.794 1046 K CB 2.385 34.915 32.500 0.050 0.000 1.181 1046 K HN 0.869 nan 8.250 nan 0.000 0.425 1047 G N 1.415 110.275 108.800 0.100 0.000 2.537 1047 G HA2 0.287 4.247 3.960 -0.000 0.000 0.297 1047 G HA3 0.287 4.247 3.960 -0.000 0.000 0.297 1047 G C -2.107 172.840 174.900 0.077 0.000 1.310 1047 G CA -1.168 43.997 45.100 0.109 0.000 1.027 1047 G HN 0.368 nan 8.290 nan 0.000 0.505 1048 P HA 0.134 nan 4.420 nan 0.000 0.235 1048 P C 0.278 177.609 177.300 0.052 0.000 1.725 1048 P CA -0.176 62.953 63.100 0.048 0.000 0.894 1048 P CB -0.137 31.585 31.700 0.035 0.000 1.704 1049 S N -0.320 115.420 115.700 0.067 0.000 2.693 1049 S HA 0.319 4.789 4.470 -0.000 0.000 0.276 1049 S C 1.152 175.788 174.600 0.059 0.000 1.192 1049 S CA -0.601 57.643 58.200 0.073 0.000 0.994 1049 S CB 1.418 64.683 63.200 0.109 0.000 1.012 1049 S HN -0.063 nan 8.310 nan 0.000 0.550 1050 K N -0.018 120.417 120.400 0.059 0.000 2.439 1050 K HA 0.090 4.410 4.320 -0.000 0.000 0.197 1050 K C 0.727 177.353 176.600 0.044 0.000 1.041 1050 K CA 0.543 56.858 56.287 0.046 0.000 0.970 1050 K CB -0.451 32.074 32.500 0.042 0.000 0.773 1050 K HN 0.402 nan 8.250 nan 0.000 0.479 1051 L N 0.902 122.158 121.223 0.055 0.000 2.567 1051 L HA -0.001 4.339 4.340 -0.000 0.000 0.225 1051 L C 1.725 178.608 176.870 0.022 0.000 1.119 1051 L CA 0.536 55.397 54.840 0.034 0.000 0.871 1051 L CB -0.678 41.402 42.059 0.034 0.000 1.036 1051 L HN 0.204 nan 8.230 nan 0.000 0.459 1052 N N 1.015 119.735 118.700 0.033 0.000 2.064 1052 N HA -0.325 4.415 4.740 -0.000 0.000 0.200 1052 N C 1.519 177.040 175.510 0.019 0.000 1.028 1052 N CA 2.298 55.366 53.050 0.031 0.000 0.880 1052 N CB 0.009 38.516 38.487 0.034 0.000 1.062 1052 N HN 0.385 nan 8.380 nan 0.000 0.454 1053 D N -0.457 119.952 120.400 0.015 0.000 2.310 1053 D HA -0.031 4.609 4.640 -0.000 0.000 0.212 1053 D C 1.203 177.504 176.300 0.002 0.000 0.965 1053 D CA 0.880 54.885 54.000 0.010 0.000 0.879 1053 D CB 0.089 40.894 40.800 0.009 0.000 0.921 1053 D HN 0.336 nan 8.370 nan 0.000 0.510 1054 R N -0.817 119.681 120.500 -0.004 0.000 2.508 1054 R HA 0.472 4.811 4.340 -0.000 0.000 0.300 1054 R C -0.280 175.999 176.300 -0.035 0.000 0.970 1054 R CA -0.185 55.904 56.100 -0.017 0.000 1.102 1054 R CB 1.394 31.683 30.300 -0.018 0.000 1.246 1054 R HN -0.033 nan 8.270 nan 0.000 0.539 1055 A N 0.797 123.600 122.820 -0.028 0.000 2.324 1055 A HA 0.570 4.890 4.320 -0.000 0.000 0.330 1055 A C -0.989 176.586 177.584 -0.016 0.000 1.165 1055 A CA -0.329 51.679 52.037 -0.048 0.000 0.813 1055 A CB 1.187 20.160 19.000 -0.046 0.000 1.197 1055 A HN 0.046 nan 8.150 nan 0.000 0.484 1056 D N -0.560 119.826 120.400 -0.023 0.000 2.665 1056 D HA 0.633 5.272 4.640 -0.000 0.000 0.287 1056 D C -0.492 175.845 176.300 0.062 0.000 1.266 1056 D CA 0.057 54.077 54.000 0.033 0.000 0.830 1056 D CB 2.061 42.870 40.800 0.014 0.000 1.356 1056 D HN 0.519 nan 8.370 nan 0.000 0.437 1057 S N -0.538 115.254 115.700 0.154 0.000 2.874 1057 S HA 0.686 5.156 4.470 -0.000 0.000 0.318 1057 S C -1.161 173.501 174.600 0.103 0.000 1.109 1057 S CA -0.600 57.740 58.200 0.233 0.000 0.878 1057 S CB 1.163 64.743 63.200 0.633 0.000 1.307 1057 S HN 0.373 nan 8.310 nan 0.000 0.592 1058 R N 1.011 121.565 120.500 0.090 0.000 2.407 1058 R HA 0.344 4.684 4.340 -0.000 0.000 0.298 1058 R C 1.348 177.400 176.300 -0.413 0.000 1.166 1058 R CA -0.435 55.598 56.100 -0.113 0.000 1.006 1058 R CB 0.358 30.618 30.300 -0.066 0.000 1.145 1058 R HN 0.759 nan 8.270 nan 0.000 0.538 1059 R N 1.135 121.168 120.500 -0.778 0.000 2.189 1059 R HA -0.079 4.261 4.340 -0.000 0.000 0.223 1059 R C 0.949 176.802 176.300 -0.745 0.000 1.092 1059 R CA 1.823 56.993 56.100 -1.550 0.000 0.989 1059 R CB -0.067 29.411 30.300 -1.369 0.000 0.876 1059 R HN 0.456 nan 8.270 nan 0.000 0.457 1060 S N 0.579 116.039 115.700 -0.401 0.000 2.547 1060 S HA 0.021 4.491 4.470 -0.000 0.000 0.235 1060 S C 1.696 176.210 174.600 -0.144 0.000 0.980 1060 S CA 0.480 58.553 58.200 -0.212 0.000 0.941 1060 S CB -0.125 62.985 63.200 -0.149 0.000 0.763 1060 S HN 0.403 nan 8.310 nan 0.000 0.532 1061 L N -1.424 119.707 121.223 -0.153 0.000 2.638 1061 L HA 0.271 4.611 4.340 -0.000 0.000 0.232 1061 L C 1.874 178.740 176.870 -0.007 0.000 1.099 1061 L CA -0.147 54.649 54.840 -0.073 0.000 0.883 1061 L CB -0.244 41.773 42.059 -0.070 0.000 1.136 1061 L HN 0.314 nan 8.230 nan 0.000 0.492 1062 W N 1.166 122.390 121.300 -0.128 0.000 2.342 1062 W HA -0.161 4.499 4.660 -0.001 0.000 0.297 1062 W C 1.991 178.480 176.519 -0.050 0.000 1.213 1062 W CA 0.438 57.730 57.345 -0.087 0.000 1.251 1062 W CB -0.862 28.738 29.460 0.234 0.000 1.136 1062 W HN 0.181 nan 8.180 nan 0.000 0.526 1063 D N -0.453 120.067 120.400 0.201 0.000 2.310 1063 D HA -0.115 4.525 4.640 -0.000 0.000 0.212 1063 D C 1.720 178.044 176.300 0.040 0.000 0.965 1063 D CA 1.023 55.095 54.000 0.120 0.000 0.879 1063 D CB -0.192 40.653 40.800 0.074 0.000 0.921 1063 D HN 0.237 nan 8.370 nan 0.000 0.510 1064 Q N -0.698 119.087 119.800 -0.025 0.000 2.319 1064 Q HA 0.243 4.583 4.340 -0.000 0.000 0.202 1064 Q C 1.186 177.104 176.000 -0.138 0.000 0.896 1064 Q CA 0.264 56.028 55.803 -0.066 0.000 0.942 1064 Q CB 0.835 29.530 28.738 -0.073 0.000 1.083 1064 Q HN 0.249 nan 8.270 nan 0.000 0.510 1065 G N 1.848 110.504 108.800 -0.240 0.000 2.149 1065 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.235 1065 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.235 1065 G C -0.208 174.201 174.900 -0.819 0.000 1.018 1065 G CA -0.147 44.716 45.100 -0.395 0.000 0.728 1065 G HN 0.253 nan 8.290 nan 0.000 0.508 1066 N N -0.359 117.759 118.700 -0.970 0.000 2.372 1066 N HA 0.639 5.379 4.740 -0.000 0.000 0.285 1066 N C -0.915 174.050 175.510 -0.908 0.000 1.008 1066 N CA -0.336 52.266 53.050 -0.747 0.000 0.880 1066 N CB 1.031 39.343 38.487 -0.292 0.000 1.239 1066 N HN 0.089 nan 8.380 nan 0.000 0.484 1067 F N 2.134 121.986 119.950 -0.163 0.000 2.622 1067 F HA 0.316 4.843 4.527 -0.000 0.000 0.338 1067 F C -2.058 173.707 175.800 -0.058 0.000 1.334 1067 F CA -1.608 56.103 58.000 -0.482 0.000 1.179 1067 F CB 1.304 39.387 39.000 -1.529 0.000 1.471 1067 F HN 0.153 nan 8.300 nan 0.000 0.576 1068 P HA 0.109 nan 4.420 nan 0.000 0.274 1068 P C -0.721 176.596 177.300 0.029 0.000 1.231 1068 P CA -0.317 62.889 63.100 0.176 0.000 0.790 1068 P CB 2.199 33.933 31.700 0.057 0.000 0.951 1069 L N 3.564 124.512 121.223 -0.459 0.000 2.276 1069 L HA 0.429 4.769 4.340 -0.000 0.000 0.286 1069 L C -0.608 175.983 176.870 -0.465 0.000 1.024 1069 L CA -0.438 53.935 54.840 -0.778 0.000 0.826 1069 L CB -0.232 40.742 42.059 -1.808 0.000 1.211 1069 L HN 0.204 nan 8.230 nan 0.000 0.422 1070 I N 6.571 126.987 120.570 -0.257 0.000 2.321 1070 I HA 0.357 4.527 4.170 -0.000 0.000 0.291 1070 I C -0.423 175.587 176.117 -0.178 0.000 0.998 1070 I CA -0.282 60.909 61.300 -0.181 0.000 1.227 1070 I CB 1.098 39.040 38.000 -0.096 0.000 1.368 1070 I HN 0.506 nan 8.210 nan 0.000 0.466 1071 I N 7.489 127.947 120.570 -0.186 0.000 2.382 1071 I HA 0.296 4.465 4.170 -0.000 0.000 0.286 1071 I C -0.018 176.040 176.117 -0.097 0.000 1.002 1071 I CA -0.721 60.486 61.300 -0.155 0.000 1.135 1071 I CB 1.202 39.079 38.000 -0.205 0.000 1.288 1071 I HN 0.585 nan 8.210 nan 0.000 0.448 1072 K N 5.162 125.522 120.400 -0.067 0.000 2.106 1072 K HA 0.363 4.682 4.320 -0.000 0.000 0.246 1072 K C 0.309 176.891 176.600 -0.030 0.000 0.987 1072 K CA -0.727 55.533 56.287 -0.044 0.000 0.904 1072 K CB 1.137 33.617 32.500 -0.034 0.000 1.071 1072 K HN 0.674 nan 8.250 nan 0.000 0.453 1073 N N 0.910 119.599 118.700 -0.018 0.000 2.688 1073 N HA -0.177 4.563 4.740 -0.000 0.000 0.258 1073 N C -1.080 174.428 175.510 -0.003 0.000 1.016 1073 N CA -0.139 52.908 53.050 -0.005 0.000 0.747 1073 N CB -0.631 37.855 38.487 -0.003 0.000 0.895 1073 N HN 0.536 nan 8.380 nan 0.000 0.543 1074 L N 1.033 122.254 121.223 -0.004 0.000 2.525 1074 L HA 0.013 4.353 4.340 -0.000 0.000 0.278 1074 L C 0.866 177.744 176.870 0.013 0.000 1.218 1074 L CA 0.888 55.726 54.840 -0.002 0.000 0.878 1074 L CB 0.322 42.380 42.059 -0.001 0.000 1.127 1074 L HN 0.192 nan 8.230 nan 0.000 0.492 1075 K N 2.992 123.398 120.400 0.010 0.000 2.221 1075 K HA 0.358 4.678 4.320 -0.000 0.000 0.243 1075 K C 0.745 177.347 176.600 0.003 0.000 0.968 1075 K CA -1.070 55.225 56.287 0.013 0.000 0.846 1075 K CB 2.000 34.508 32.500 0.012 0.000 1.141 1075 K HN 0.338 nan 8.250 nan 0.000 0.434 1076 I N 1.930 122.497 120.570 -0.004 0.000 2.208 1076 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 1076 I C 2.087 178.184 176.117 -0.033 0.000 1.097 1076 I CA 1.724 63.003 61.300 -0.035 0.000 1.363 1076 I CB -0.940 37.041 38.000 -0.032 0.000 1.051 1076 I HN 0.779 nan 8.210 nan 0.000 0.413 1077 E N 0.546 120.741 120.200 -0.009 0.000 2.516 1077 E HA -0.183 4.167 4.350 -0.000 0.000 0.199 1077 E C 0.776 177.392 176.600 0.027 0.000 1.069 1077 E CA 0.646 57.047 56.400 0.001 0.000 0.876 1077 E CB -0.459 29.244 29.700 0.006 0.000 0.843 1077 E HN 0.441 nan 8.360 nan 0.000 0.530 1078 D N 1.390 121.814 120.400 0.040 0.000 2.312 1078 D HA -0.015 4.625 4.640 -0.000 0.000 0.211 1078 D C 0.086 176.480 176.300 0.156 0.000 0.964 1078 D CA 0.355 54.418 54.000 0.105 0.000 0.877 1078 D CB -0.007 40.833 40.800 0.065 0.000 0.924 1078 D HN 0.015 nan 8.370 nan 0.000 0.515 1079 S N 1.373 117.105 115.700 0.054 0.000 2.544 1079 S HA 0.202 4.672 4.470 -0.000 0.000 0.290 1079 S C 0.065 174.675 174.600 0.017 0.000 1.276 1079 S CA 0.192 58.411 58.200 0.031 0.000 1.075 1079 S CB 0.865 64.022 63.200 -0.072 0.000 0.849 1079 S HN 0.188 nan 8.310 nan 0.000 0.494 1080 D N 0.024 120.432 120.400 0.013 0.000 2.913 1080 D HA 0.195 4.835 4.640 -0.000 0.000 0.293 1080 D C -1.299 174.887 176.300 -0.190 0.000 1.238 1080 D CA -0.380 53.514 54.000 -0.176 0.000 0.738 1080 D CB 1.057 41.598 40.800 -0.431 0.000 1.254 1080 D HN 0.352 nan 8.370 nan 0.000 0.429 1081 T N 1.639 116.039 114.554 -0.255 0.000 2.767 1081 T HA 0.529 4.879 4.350 -0.000 0.000 0.288 1081 T C -0.764 173.779 174.700 -0.261 0.000 0.963 1081 T CA -0.093 61.932 62.100 -0.126 0.000 1.019 1081 T CB 0.051 68.892 68.868 -0.044 0.000 0.923 1081 T HN 0.109 nan 8.240 nan 0.000 0.468 1082 Y N 2.370 122.769 120.300 0.166 0.000 2.377 1082 Y HA 0.628 5.177 4.550 -0.000 0.000 0.339 1082 Y C -0.059 176.025 175.900 0.307 0.000 1.011 1082 Y CA -1.224 57.042 58.100 0.276 0.000 1.093 1082 Y CB 1.099 39.765 38.460 0.343 0.000 1.201 1082 Y HN 0.437 nan 8.280 nan 0.000 0.455 1083 I N 2.628 123.430 120.570 0.386 0.000 2.418 1083 I HA 0.274 4.444 4.170 -0.000 0.000 0.287 1083 I C -0.900 175.155 176.117 -0.104 0.000 1.008 1083 I CA -0.448 60.924 61.300 0.120 0.000 1.104 1083 I CB 1.540 39.573 38.000 0.055 0.000 1.264 1083 I HN 0.596 nan 8.210 nan 0.000 0.438 1084 c N 6.481 124.766 118.600 -0.526 0.000 2.265 1084 c HA 0.439 5.009 4.570 -0.000 0.000 0.332 1084 c C 0.170 174.020 174.090 -0.401 0.000 1.248 1084 c CA -0.354 55.432 56.329 -0.905 0.000 1.727 1084 c CB -0.681 40.903 42.510 -1.544 0.000 2.348 1084 c HN 0.763 nan 8.230 nan 0.000 0.519 1085 E N 4.040 124.086 120.200 -0.257 0.000 2.081 1085 E HA 0.500 4.850 4.350 -0.000 0.000 0.281 1085 E C -0.808 175.708 176.600 -0.140 0.000 0.986 1085 E CA -0.174 56.138 56.400 -0.147 0.000 0.796 1085 E CB 1.703 31.349 29.700 -0.090 0.000 1.085 1085 E HN 0.532 nan 8.360 nan 0.000 0.398 1086 V N 3.708 123.544 119.914 -0.129 0.000 2.808 1086 V HA 0.119 4.239 4.120 -0.000 0.000 0.308 1086 V C -0.909 175.137 176.094 -0.079 0.000 1.099 1086 V CA -0.650 61.574 62.300 -0.127 0.000 0.920 1086 V CB 1.597 33.337 31.823 -0.138 0.000 1.014 1086 V HN 0.918 nan 8.190 nan 0.000 0.425 1087 E N 4.267 124.422 120.200 -0.075 0.000 2.131 1087 E HA -0.282 4.068 4.350 -0.000 0.000 0.166 1087 E C 0.071 176.648 176.600 -0.038 0.000 1.514 1087 E CA 1.032 57.405 56.400 -0.045 0.000 0.646 1087 E CB -1.483 28.206 29.700 -0.018 0.000 1.051 1087 E HN 0.900 nan 8.360 nan 0.000 0.315 1088 D N 0.537 120.909 120.400 -0.046 0.000 2.735 1088 D HA -0.248 4.392 4.640 -0.000 0.000 0.235 1088 D C -0.664 175.615 176.300 -0.036 0.000 1.175 1088 D CA 2.149 56.126 54.000 -0.039 0.000 0.683 1088 D CB -0.564 40.218 40.800 -0.030 0.000 1.008 1088 D HN 0.798 nan 8.370 nan 0.000 0.416 1089 Q N 0.350 120.123 119.800 -0.045 0.000 2.438 1089 Q HA 0.311 4.651 4.340 -0.000 0.000 0.272 1089 Q C -1.554 174.410 176.000 -0.060 0.000 0.994 1089 Q CA -0.850 54.928 55.803 -0.042 0.000 0.887 1089 Q CB 1.187 29.905 28.738 -0.032 0.000 1.432 1089 Q HN 0.063 nan 8.270 nan 0.000 0.392 1090 K N 2.848 123.217 120.400 -0.052 0.000 2.358 1090 K HA 0.386 4.706 4.320 -0.000 0.000 0.260 1090 K C -1.234 175.331 176.600 -0.059 0.000 0.956 1090 K CA -0.514 55.734 56.287 -0.066 0.000 0.834 1090 K CB 1.920 34.392 32.500 -0.046 0.000 1.102 1090 K HN 0.493 nan 8.250 nan 0.000 0.431 1091 E N 2.319 122.462 120.200 -0.096 0.000 2.113 1091 E HA 0.134 4.484 4.350 -0.000 0.000 0.273 1091 E C -1.017 175.566 176.600 -0.029 0.000 0.924 1091 E CA -0.403 55.960 56.400 -0.063 0.000 0.764 1091 E CB 1.790 31.441 29.700 -0.083 0.000 1.104 1091 E HN 0.381 nan 8.360 nan 0.000 0.406 1092 E N 2.294 122.515 120.200 0.034 0.000 2.179 1092 E HA 0.486 4.836 4.350 -0.000 0.000 0.275 1092 E C -1.633 175.049 176.600 0.137 0.000 0.945 1092 E CA -0.782 55.669 56.400 0.086 0.000 0.792 1092 E CB 1.940 31.674 29.700 0.057 0.000 1.125 1092 E HN 0.197 nan 8.360 nan 0.000 0.397 1093 V N 4.276 124.317 119.914 0.212 0.000 2.711 1093 V HA 0.222 4.341 4.120 -0.000 0.000 0.304 1093 V C -1.368 174.861 176.094 0.225 0.000 1.097 1093 V CA -0.542 61.888 62.300 0.217 0.000 0.906 1093 V CB 1.927 33.910 31.823 0.266 0.000 1.015 1093 V HN 0.764 nan 8.190 nan 0.000 0.427 1094 Q N 4.720 124.615 119.800 0.158 0.000 2.322 1094 Q HA 0.495 4.835 4.340 -0.000 0.000 0.256 1094 Q C -1.231 174.860 176.000 0.152 0.000 0.960 1094 Q CA -0.640 55.245 55.803 0.138 0.000 0.934 1094 Q CB 1.588 30.378 28.738 0.088 0.000 1.200 1094 Q HN 0.764 nan 8.270 nan 0.000 0.435 1095 L N 5.232 126.573 121.223 0.197 0.000 2.275 1095 L HA 0.396 4.736 4.340 -0.000 0.000 0.288 1095 L C -1.704 175.213 176.870 0.079 0.000 1.046 1095 L CA -0.357 54.577 54.840 0.157 0.000 0.805 1095 L CB 1.047 43.235 42.059 0.214 0.000 1.193 1095 L HN 0.560 nan 8.230 nan 0.000 0.426 1096 L N 6.666 127.908 121.223 0.032 0.000 2.349 1096 L HA 0.539 4.878 4.340 -0.000 0.000 0.278 1096 L C -0.616 176.130 176.870 -0.206 0.000 0.996 1096 L CA -0.450 54.321 54.840 -0.115 0.000 0.825 1096 L CB 1.747 43.781 42.059 -0.043 0.000 1.243 1096 L HN 0.338 nan 8.230 nan 0.000 0.412 1097 V N 4.404 124.113 119.914 -0.341 0.000 2.435 1097 V HA 0.548 4.667 4.120 -0.000 0.000 0.290 1097 V C -0.416 175.438 176.094 -0.399 0.000 1.030 1097 V CA -0.525 61.647 62.300 -0.213 0.000 0.881 1097 V CB 1.578 33.355 31.823 -0.076 0.000 0.983 1097 V HN 0.415 nan 8.190 nan 0.000 0.445 1098 F N 1.795 121.846 119.950 0.169 0.000 2.561 1098 F HA 0.854 5.380 4.527 -0.000 0.000 0.321 1098 F C 0.677 176.632 175.800 0.258 0.000 1.065 1098 F CA -0.608 57.510 58.000 0.196 0.000 0.934 1098 F CB 2.367 41.520 39.000 0.256 0.000 1.215 1098 F HN 0.589 nan 8.300 nan 0.000 0.471 1099 G N 1.715 110.663 108.800 0.247 0.000 2.524 1099 G HA2 0.698 4.658 3.960 -0.000 0.000 0.310 1099 G HA3 0.698 4.658 3.960 -0.000 0.000 0.310 1099 G C -2.233 172.500 174.900 -0.278 0.000 1.279 1099 G CA -0.690 44.444 45.100 0.056 0.000 0.974 1099 G HN 0.671 nan 8.290 nan 0.000 0.484 1100 L N 1.871 122.786 121.223 -0.513 0.000 2.439 1100 L HA 0.705 5.045 4.340 -0.000 0.000 0.270 1100 L C -0.266 176.452 176.870 -0.253 0.000 0.972 1100 L CA -0.624 53.895 54.840 -0.534 0.000 0.836 1100 L CB 2.376 43.818 42.059 -1.028 0.000 1.255 1100 L HN 0.802 nan 8.230 nan 0.000 0.404 1101 T N 1.102 115.558 114.554 -0.164 0.000 2.900 1101 T HA 0.817 5.166 4.350 -0.000 0.000 0.295 1101 T C -0.187 174.445 174.700 -0.113 0.000 1.044 1101 T CA -0.604 61.434 62.100 -0.103 0.000 0.995 1101 T CB 1.982 70.811 68.868 -0.066 0.000 1.072 1101 T HN 0.620 nan 8.240 nan 0.000 0.473 1102 A N 2.214 124.967 122.820 -0.111 0.000 2.332 1102 A HA 0.405 4.725 4.320 -0.000 0.000 0.258 1102 A C 1.658 179.182 177.584 -0.100 0.000 1.087 1102 A CA -0.499 51.458 52.037 -0.135 0.000 0.802 1102 A CB 0.084 18.988 19.000 -0.160 0.000 1.042 1102 A HN 1.009 nan 8.150 nan 0.000 0.489 1103 N N 0.119 118.758 118.700 -0.101 0.000 2.289 1103 N HA -0.077 4.663 4.740 -0.000 0.000 0.184 1103 N C 0.413 175.887 175.510 -0.060 0.000 1.016 1103 N CA 1.436 54.442 53.050 -0.073 0.000 0.872 1103 N CB 0.064 38.510 38.487 -0.069 0.000 0.973 1103 N HN 0.402 nan 8.380 nan 0.000 0.433 1104 S N -0.858 114.802 115.700 -0.066 0.000 2.564 1104 S HA 0.233 4.703 4.470 -0.000 0.000 0.274 1104 S C -0.953 173.616 174.600 -0.051 0.000 1.124 1104 S CA -0.726 57.442 58.200 -0.053 0.000 0.869 1104 S CB 1.897 65.069 63.200 -0.046 0.000 1.105 1104 S HN 0.030 nan 8.310 nan 0.000 0.472 1105 D N 1.569 121.943 120.400 -0.045 0.000 2.339 1105 D HA 0.131 4.771 4.640 -0.000 0.000 0.217 1105 D C 0.524 176.794 176.300 -0.048 0.000 1.050 1105 D CA 0.450 54.428 54.000 -0.037 0.000 0.856 1105 D CB 0.615 41.396 40.800 -0.033 0.000 0.922 1105 D HN 0.411 nan 8.370 nan 0.000 0.518 1106 T N -0.051 114.463 114.554 -0.066 0.000 2.902 1106 T HA 0.123 4.472 4.350 -0.000 0.000 0.280 1106 T C -0.002 174.684 174.700 -0.024 0.000 0.992 1106 T CA -0.579 61.444 62.100 -0.127 0.000 1.015 1106 T CB 0.753 69.549 68.868 -0.120 0.000 1.044 1106 T HN -0.012 nan 8.240 nan 0.000 0.520 1107 H N 2.039 121.108 119.070 -0.003 0.000 2.871 1107 H HA 0.323 4.878 4.556 -0.000 0.000 0.355 1107 H C 0.092 175.422 175.328 0.003 0.000 1.092 1107 H CA -0.019 56.033 56.048 0.006 0.000 1.420 1107 H CB 0.048 29.821 29.762 0.017 0.000 1.400 1107 H HN 0.373 nan 8.280 nan 0.000 0.604 1108 L N 2.294 123.601 121.223 0.140 0.000 2.313 1108 L HA 0.267 4.606 4.340 -0.000 0.000 0.268 1108 L C -0.261 176.657 176.870 0.081 0.000 1.010 1108 L CA -1.104 53.782 54.840 0.077 0.000 0.814 1108 L CB 1.132 43.217 42.059 0.043 0.000 1.304 1108 L HN 0.169 nan 8.230 nan 0.000 0.441 1109 L N 0.880 122.139 121.223 0.059 0.000 2.360 1109 L HA 0.332 4.672 4.340 -0.000 0.000 0.271 1109 L C 0.080 176.999 176.870 0.081 0.000 1.057 1109 L CA -0.126 54.751 54.840 0.063 0.000 0.803 1109 L CB 1.116 43.184 42.059 0.015 0.000 1.207 1109 L HN 0.508 nan 8.230 nan 0.000 0.445 1110 Q N 1.239 121.115 119.800 0.127 0.000 2.315 1110 Q HA 0.313 4.653 4.340 -0.000 0.000 0.289 1110 Q C 0.992 177.051 176.000 0.099 0.000 1.044 1110 Q CA 1.021 56.910 55.803 0.142 0.000 0.920 1110 Q CB 0.180 29.059 28.738 0.235 0.000 1.214 1110 Q HN 0.924 nan 8.270 nan 0.000 0.392 1111 G N 1.660 110.512 108.800 0.086 0.000 2.199 1111 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.254 1111 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.254 1111 G C 0.118 175.044 174.900 0.043 0.000 0.982 1111 G CA 0.025 45.161 45.100 0.061 0.000 0.632 1111 G HN 0.560 nan 8.290 nan 0.000 0.529 1112 Q N 0.512 120.337 119.800 0.041 0.000 2.256 1112 Q HA 0.613 4.953 4.340 -0.000 0.000 0.232 1112 Q C 0.171 176.186 176.000 0.025 0.000 0.965 1112 Q CA -0.026 55.792 55.803 0.025 0.000 0.908 1112 Q CB 1.015 29.763 28.738 0.017 0.000 1.209 1112 Q HN 0.324 nan 8.270 nan 0.000 0.489 1113 S N 0.773 116.478 115.700 0.009 0.000 2.646 1113 S HA 0.505 4.975 4.470 -0.000 0.000 0.276 1113 S C -0.900 173.683 174.600 -0.028 0.000 1.222 1113 S CA -0.679 57.522 58.200 0.001 0.000 1.014 1113 S CB 0.786 63.983 63.200 -0.004 0.000 0.991 1113 S HN 0.390 nan 8.310 nan 0.000 0.533 1114 L N 2.004 123.197 121.223 -0.051 0.000 2.385 1114 L HA 0.619 4.959 4.340 -0.000 0.000 0.273 1114 L C -0.867 175.929 176.870 -0.124 0.000 0.990 1114 L CA 0.132 54.893 54.840 -0.131 0.000 0.821 1114 L CB 1.872 43.775 42.059 -0.260 0.000 1.279 1114 L HN 0.629 nan 8.230 nan 0.000 0.412 1115 T N 6.145 120.625 114.554 -0.124 0.000 2.809 1115 T HA 0.598 4.948 4.350 -0.000 0.000 0.284 1115 T C -0.553 174.073 174.700 -0.123 0.000 0.992 1115 T CA -0.327 61.714 62.100 -0.099 0.000 0.957 1115 T CB 0.937 69.766 68.868 -0.064 0.000 0.942 1115 T HN 0.443 nan 8.240 nan 0.000 0.439 1116 L N 2.909 124.060 121.223 -0.120 0.000 2.317 1116 L HA 0.610 4.950 4.340 -0.000 0.000 0.281 1116 L C 0.149 176.962 176.870 -0.095 0.000 1.024 1116 L CA -0.775 53.989 54.840 -0.127 0.000 0.810 1116 L CB 1.703 43.679 42.059 -0.137 0.000 1.240 1116 L HN 0.554 nan 8.230 nan 0.000 0.427 1117 T N 3.690 118.185 114.554 -0.099 0.000 2.809 1117 T HA 0.402 4.751 4.350 -0.000 0.000 0.284 1117 T C -0.572 174.069 174.700 -0.098 0.000 0.992 1117 T CA -0.386 61.668 62.100 -0.078 0.000 0.957 1117 T CB 1.637 70.471 68.868 -0.058 0.000 0.942 1117 T HN 0.246 nan 8.240 nan 0.000 0.439 1118 L N 3.564 124.738 121.223 -0.082 0.000 2.265 1118 L HA 0.456 4.796 4.340 -0.000 0.000 0.288 1118 L C 0.257 177.127 176.870 -0.000 0.000 1.058 1118 L CA -0.192 54.599 54.840 -0.082 0.000 0.809 1118 L CB 0.628 42.643 42.059 -0.074 0.000 1.179 1118 L HN 0.604 nan 8.230 nan 0.000 0.429 1119 E N 3.147 123.355 120.200 0.013 0.000 2.229 1119 E HA 0.419 4.768 4.350 -0.000 0.000 0.283 1119 E C -1.036 175.640 176.600 0.128 0.000 1.030 1119 E CA -0.236 56.193 56.400 0.049 0.000 0.836 1119 E CB 0.731 30.444 29.700 0.021 0.000 1.068 1119 E HN 0.768 nan 8.360 nan 0.000 0.401 1120 S N 4.742 120.505 115.700 0.105 0.000 2.568 1120 S HA 0.533 5.002 4.470 -0.000 0.000 0.293 1120 S C -2.517 172.068 174.600 -0.024 0.000 1.089 1120 S CA -1.254 57.010 58.200 0.108 0.000 0.945 1120 S CB 1.794 65.147 63.200 0.254 0.000 1.077 1120 S HN 0.508 nan 8.310 nan 0.000 0.485 1121 P HA 0.395 nan 4.420 nan 0.000 0.277 1121 P C -2.912 174.366 177.300 -0.037 0.000 1.240 1121 P CA -1.816 61.223 63.100 -0.102 0.000 0.798 1121 P CB -0.770 30.826 31.700 -0.175 0.000 0.979 1122 P HA 0.085 nan 4.420 nan 0.000 0.265 1122 P C 1.091 178.394 177.300 0.005 0.000 1.193 1122 P CA 1.244 64.343 63.100 -0.002 0.000 0.765 1122 P CB -0.127 31.569 31.700 -0.006 0.000 0.823 1123 G N 1.683 110.495 108.800 0.020 0.000 2.241 1123 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.244 1123 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.244 1123 G C 0.351 175.280 174.900 0.050 0.000 0.998 1123 G CA 0.233 45.349 45.100 0.028 0.000 0.621 1123 G HN 0.828 nan 8.290 nan 0.000 0.519 1124 S N -0.151 115.589 115.700 0.068 0.000 2.576 1124 S HA 0.638 5.108 4.470 -0.000 0.000 0.276 1124 S C 0.261 174.941 174.600 0.132 0.000 1.339 1124 S CA 0.659 58.937 58.200 0.131 0.000 1.039 1124 S CB 1.866 65.189 63.200 0.205 0.000 0.902 1124 S HN 0.805 nan 8.310 nan 0.000 0.516 1125 S N 3.487 119.265 115.700 0.130 0.000 2.060 1125 S HA 0.370 4.840 4.470 -0.000 0.000 0.156 1125 S C -2.502 172.144 174.600 0.076 0.000 1.690 1125 S CA -0.880 57.373 58.200 0.090 0.000 1.238 1125 S CB 0.392 63.628 63.200 0.060 0.000 1.150 1125 S HN 0.735 nan 8.310 nan 0.000 0.437 1126 P HA 0.380 nan 4.420 nan 0.000 0.282 1126 P C -0.487 176.789 177.300 -0.040 0.000 1.249 1126 P CA -0.360 62.722 63.100 -0.029 0.000 0.806 1126 P CB 1.255 32.859 31.700 -0.160 0.000 0.984 1127 S N 1.119 116.785 115.700 -0.057 0.000 2.537 1127 S HA 0.667 5.137 4.470 -0.000 0.000 0.301 1127 S C -0.382 174.182 174.600 -0.061 0.000 1.092 1127 S CA -0.651 57.525 58.200 -0.040 0.000 1.048 1127 S CB 1.059 64.248 63.200 -0.019 0.000 1.053 1127 S HN 0.227 nan 8.310 nan 0.000 0.501 1128 V N 2.255 122.144 119.914 -0.041 0.000 2.735 1128 V HA 0.627 4.747 4.120 -0.000 0.000 0.310 1128 V C -0.515 175.579 176.094 -0.000 0.000 1.061 1128 V CA -0.689 61.591 62.300 -0.034 0.000 0.913 1128 V CB 1.587 33.382 31.823 -0.048 0.000 1.005 1128 V HN 1.009 nan 8.190 nan 0.000 0.428 1129 Q N 1.787 121.598 119.800 0.019 0.000 2.285 1129 Q HA 0.603 4.943 4.340 -0.000 0.000 0.269 1129 Q C -1.788 174.254 176.000 0.070 0.000 1.030 1129 Q CA -0.328 55.498 55.803 0.038 0.000 0.788 1129 Q CB 2.096 30.850 28.738 0.025 0.000 1.266 1129 Q HN 0.879 nan 8.270 nan 0.000 0.438 1130 c N 2.808 121.471 118.600 0.105 0.000 2.456 1130 c HA 0.705 5.275 4.570 -0.000 0.000 0.325 1130 c C -0.562 173.606 174.090 0.130 0.000 1.217 1130 c CA -0.598 55.838 56.329 0.178 0.000 1.687 1130 c CB 1.456 44.145 42.510 0.298 0.000 2.270 1130 c HN 0.869 nan 8.230 nan 0.000 0.499 1131 R N 1.644 122.183 120.500 0.065 0.000 2.532 1131 R HA 0.536 4.876 4.340 -0.000 0.000 0.297 1131 R C -0.026 176.033 176.300 -0.402 0.000 0.984 1131 R CA 0.103 56.120 56.100 -0.138 0.000 0.884 1131 R CB 1.573 31.817 30.300 -0.093 0.000 1.182 1131 R HN 0.951 nan 8.270 nan 0.000 0.442 1132 S N 3.782 118.933 115.700 -0.915 0.000 2.645 1132 S HA 0.321 4.791 4.470 -0.000 0.000 0.266 1132 S C -1.729 172.475 174.600 -0.660 0.000 1.258 1132 S CA -1.080 56.236 58.200 -1.474 0.000 0.990 1132 S CB 1.255 63.280 63.200 -1.958 0.000 0.967 1132 S HN 0.508 nan 8.310 nan 0.000 0.556 1133 P HA -0.135 nan 4.420 nan 0.000 0.217 1133 P C 1.303 178.487 177.300 -0.192 0.000 1.148 1133 P CA 1.333 64.291 63.100 -0.235 0.000 0.828 1133 P CB -0.114 31.503 31.700 -0.139 0.000 0.783 1134 R N -1.409 118.956 120.500 -0.224 0.000 2.297 1134 R HA 0.224 4.564 4.340 -0.000 0.000 0.197 1134 R C 1.220 177.431 176.300 -0.150 0.000 0.943 1134 R CA 1.059 57.069 56.100 -0.151 0.000 1.038 1134 R CB -0.752 29.476 30.300 -0.120 0.000 0.957 1134 R HN 0.145 nan 8.270 nan 0.000 0.484 1135 G N 1.443 110.121 108.800 -0.203 0.000 2.163 1135 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.213 1135 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.213 1135 G C -0.214 174.587 174.900 -0.165 0.000 0.991 1135 G CA -0.017 44.987 45.100 -0.160 0.000 0.653 1135 G HN 0.384 nan 8.290 nan 0.000 0.518 1136 K N 1.585 121.849 120.400 -0.227 0.000 2.436 1136 K HA 0.311 4.631 4.320 -0.000 0.000 0.282 1136 K C -0.052 176.446 176.600 -0.169 0.000 1.044 1136 K CA -0.064 56.114 56.287 -0.182 0.000 1.028 1136 K CB 0.076 32.458 32.500 -0.196 0.000 0.919 1136 K HN 0.183 nan 8.250 nan 0.000 0.474 1137 N N 4.821 123.480 118.700 -0.069 0.000 2.400 1137 N HA 0.407 5.147 4.740 -0.000 0.000 0.288 1137 N C -0.681 174.849 175.510 0.032 0.000 1.024 1137 N CA -0.517 52.520 53.050 -0.023 0.000 0.894 1137 N CB 1.043 39.519 38.487 -0.020 0.000 1.173 1137 N HN 0.644 nan 8.380 nan 0.000 0.487 1138 I N -0.867 119.748 120.570 0.076 0.000 2.647 1138 I HA 0.541 4.711 4.170 -0.000 0.000 0.295 1138 I C -0.739 175.418 176.117 0.068 0.000 1.078 1138 I CA -0.932 60.421 61.300 0.088 0.000 1.048 1138 I CB 2.292 40.378 38.000 0.144 0.000 1.239 1138 I HN 0.381 nan 8.210 nan 0.000 0.421 1139 Q N 4.006 123.832 119.800 0.045 0.000 2.416 1139 Q HA 0.911 5.251 4.340 -0.000 0.000 0.281 1139 Q C -0.980 175.032 176.000 0.020 0.000 1.067 1139 Q CA -0.906 54.915 55.803 0.029 0.000 0.809 1139 Q CB 3.005 31.755 28.738 0.020 0.000 1.418 1139 Q HN 1.080 nan 8.270 nan 0.000 0.411 1140 G N -0.273 108.532 108.800 0.010 0.000 2.450 1140 G HA2 0.505 4.465 3.960 -0.000 0.000 0.273 1140 G HA3 0.505 4.465 3.960 -0.000 0.000 0.273 1140 G C -0.539 174.359 174.900 -0.003 0.000 1.221 1140 G CA -0.010 45.093 45.100 0.005 0.000 0.900 1140 G HN 0.801 nan 8.290 nan 0.000 0.483 1141 G N -0.518 108.280 108.800 -0.003 0.000 2.495 1141 G HA2 0.363 4.322 3.960 -0.000 0.000 0.219 1141 G HA3 0.363 4.322 3.960 -0.000 0.000 0.219 1141 G C 1.234 176.130 174.900 -0.007 0.000 1.875 1141 G CA 1.192 46.290 45.100 -0.003 0.000 0.757 1141 G HN 0.662 nan 8.290 nan 0.000 0.682 1142 K N -0.596 119.804 120.400 -0.000 0.000 2.242 1142 K HA 0.196 4.516 4.320 -0.000 0.000 0.200 1142 K C 0.404 176.994 176.600 -0.017 0.000 1.050 1142 K CA 0.733 57.019 56.287 -0.000 0.000 0.981 1142 K CB 0.197 32.703 32.500 0.010 0.000 0.795 1142 K HN 0.325 nan 8.250 nan 0.000 0.477 1143 T N 0.100 114.645 114.554 -0.016 0.000 2.879 1143 T HA 0.577 4.927 4.350 -0.000 0.000 0.290 1143 T C -1.654 173.036 174.700 -0.017 0.000 0.993 1143 T CA -0.882 61.204 62.100 -0.023 0.000 0.975 1143 T CB 0.568 69.424 68.868 -0.020 0.000 0.981 1143 T HN -0.077 nan 8.240 nan 0.000 0.439 1144 L N 3.863 125.072 121.223 -0.024 0.000 2.333 1144 L HA 0.746 5.086 4.340 -0.000 0.000 0.280 1144 L C 0.113 176.976 176.870 -0.012 0.000 1.004 1144 L CA -0.466 54.371 54.840 -0.005 0.000 0.820 1144 L CB 1.973 44.038 42.059 0.010 0.000 1.247 1144 L HN 0.616 nan 8.230 nan 0.000 0.416 1145 S N 2.036 117.739 115.700 0.005 0.000 2.532 1145 S HA 0.814 5.284 4.470 -0.000 0.000 0.299 1145 S C -0.949 173.670 174.600 0.032 0.000 1.105 1145 S CA -0.506 57.694 58.200 -0.000 0.000 1.018 1145 S CB 1.422 64.618 63.200 -0.006 0.000 1.021 1145 S HN 0.269 nan 8.310 nan 0.000 0.483 1146 V N 4.602 124.538 119.914 0.038 0.000 2.370 1146 V HA 0.369 4.488 4.120 -0.000 0.000 0.283 1146 V C 1.304 177.431 176.094 0.054 0.000 1.023 1146 V CA -0.310 62.040 62.300 0.084 0.000 0.857 1146 V CB 1.342 33.270 31.823 0.175 0.000 0.985 1146 V HN 0.996 nan 8.190 nan 0.000 0.443 1147 S N 3.270 119.001 115.700 0.051 0.000 2.356 1147 S HA -0.045 4.425 4.470 -0.000 0.000 0.223 1147 S C 0.726 175.351 174.600 0.041 0.000 1.032 1147 S CA 1.409 59.631 58.200 0.037 0.000 1.005 1147 S CB 0.021 63.241 63.200 0.033 0.000 0.867 1147 S HN 0.802 nan 8.310 nan 0.000 0.449 1148 Q N 0.432 120.267 119.800 0.058 0.000 2.275 1148 Q HA 0.412 4.752 4.340 -0.000 0.000 0.266 1148 Q C -1.527 174.527 176.000 0.091 0.000 1.002 1148 Q CA -0.241 55.600 55.803 0.063 0.000 0.761 1148 Q CB 2.039 30.809 28.738 0.054 0.000 1.255 1148 Q HN 0.305 nan 8.270 nan 0.000 0.446 1149 L N 2.235 123.518 121.223 0.100 0.000 2.417 1149 L HA 0.249 4.589 4.340 -0.000 0.000 0.268 1149 L C 0.491 177.432 176.870 0.117 0.000 1.158 1149 L CA -0.160 54.764 54.840 0.139 0.000 0.819 1149 L CB 0.498 42.641 42.059 0.140 0.000 1.112 1149 L HN 0.430 nan 8.230 nan 0.000 0.458 1150 E N 1.446 121.717 120.200 0.118 0.000 2.227 1150 E HA 0.111 4.461 4.350 -0.000 0.000 0.268 1150 E C 0.573 177.225 176.600 0.086 0.000 0.990 1150 E CA -0.733 55.718 56.400 0.084 0.000 0.856 1150 E CB 1.778 31.509 29.700 0.052 0.000 1.159 1150 E HN 0.387 nan 8.360 nan 0.000 0.401 1151 L N 1.966 123.227 121.223 0.064 0.000 2.081 1151 L HA -0.254 4.085 4.340 -0.000 0.000 0.212 1151 L C 1.630 178.523 176.870 0.040 0.000 1.080 1151 L CA 2.107 56.977 54.840 0.050 0.000 0.754 1151 L CB -0.355 41.710 42.059 0.010 0.000 0.893 1151 L HN 0.411 nan 8.230 nan 0.000 0.433 1152 Q N -0.515 119.298 119.800 0.022 0.000 2.515 1152 Q HA -0.073 4.267 4.340 -0.000 0.000 0.212 1152 Q C 1.369 177.366 176.000 -0.005 0.000 0.970 1152 Q CA 0.807 56.609 55.803 -0.002 0.000 0.941 1152 Q CB -0.220 28.504 28.738 -0.023 0.000 0.998 1152 Q HN 0.532 nan 8.270 nan 0.000 0.518 1153 D N -0.715 119.716 120.400 0.052 0.000 2.355 1153 D HA -0.002 4.637 4.640 -0.000 0.000 0.218 1153 D C 0.001 176.445 176.300 0.241 0.000 1.004 1153 D CA 0.251 54.316 54.000 0.108 0.000 0.880 1153 D CB 0.164 41.149 40.800 0.307 0.000 0.911 1153 D HN 0.028 nan 8.370 nan 0.000 0.528 1154 S N -0.199 115.593 115.700 0.152 0.000 2.531 1154 S HA 0.464 4.934 4.470 -0.000 0.000 0.279 1154 S C 0.520 175.195 174.600 0.125 0.000 1.305 1154 S CA 0.429 58.719 58.200 0.150 0.000 1.058 1154 S CB 0.498 63.743 63.200 0.074 0.000 0.899 1154 S HN 0.445 nan 8.310 nan 0.000 0.493 1155 G N 3.309 112.211 108.800 0.170 0.000 2.250 1155 G HA2 -0.008 3.951 3.960 -0.000 0.000 0.252 1155 G HA3 -0.008 3.951 3.960 -0.000 0.000 0.252 1155 G C -0.822 174.215 174.900 0.228 0.000 1.325 1155 G CA -0.483 44.699 45.100 0.136 0.000 1.091 1155 G HN 0.732 nan 8.290 nan 0.000 0.476 1156 T N 1.374 116.026 114.554 0.165 0.000 2.728 1156 T HA 0.492 4.842 4.350 -0.000 0.000 0.296 1156 T C -0.641 174.203 174.700 0.240 0.000 0.940 1156 T CA 0.235 62.456 62.100 0.201 0.000 1.013 1156 T CB 0.367 69.303 68.868 0.114 0.000 0.912 1156 T HN 0.422 nan 8.240 nan 0.000 0.484 1157 W N 2.360 123.677 121.300 0.029 0.000 2.313 1157 W HA 0.439 5.099 4.660 -0.000 0.000 0.328 1157 W C 0.480 177.023 176.519 0.041 0.000 1.197 1157 W CA -0.590 56.773 57.345 0.029 0.000 1.235 1157 W CB 0.583 30.060 29.460 0.028 0.000 1.158 1157 W HN 0.372 nan 8.180 nan 0.000 0.578 1158 T N 2.907 117.591 114.554 0.218 0.000 2.786 1158 T HA 0.435 4.785 4.350 -0.000 0.000 0.283 1158 T C -0.958 173.845 174.700 0.172 0.000 0.992 1158 T CA -0.472 61.725 62.100 0.162 0.000 0.954 1158 T CB 0.473 69.389 68.868 0.080 0.000 0.934 1158 T HN 0.296 nan 8.240 nan 0.000 0.440 1159 c N 3.416 122.136 118.600 0.201 0.000 2.345 1159 c HA 0.684 5.254 4.570 -0.000 0.000 0.323 1159 c C 0.579 174.784 174.090 0.193 0.000 1.276 1159 c CA -0.785 55.657 56.329 0.188 0.000 1.543 1159 c CB 0.719 43.338 42.510 0.182 0.000 2.211 1159 c HN 0.873 nan 8.230 nan 0.000 0.493 1160 T N 2.938 117.563 114.554 0.118 0.000 2.770 1160 T HA 0.461 4.811 4.350 -0.000 0.000 0.283 1160 T C -0.178 174.550 174.700 0.048 0.000 0.988 1160 T CA -0.313 61.838 62.100 0.085 0.000 0.957 1160 T CB 1.105 69.998 68.868 0.041 0.000 0.930 1160 T HN 0.420 nan 8.240 nan 0.000 0.443 1161 V N 4.837 124.774 119.914 0.038 0.000 2.394 1161 V HA 0.449 4.568 4.120 -0.000 0.000 0.282 1161 V C -0.070 175.950 176.094 -0.123 0.000 1.031 1161 V CA -0.806 61.435 62.300 -0.098 0.000 0.881 1161 V CB 1.484 33.169 31.823 -0.229 0.000 0.982 1161 V HN 0.739 nan 8.190 nan 0.000 0.451 1162 L N 4.703 125.853 121.223 -0.122 0.000 2.313 1162 L HA 0.719 5.058 4.340 -0.000 0.000 0.283 1162 L C -0.586 176.240 176.870 -0.072 0.000 1.013 1162 L CA -0.236 54.562 54.840 -0.069 0.000 0.816 1162 L CB 1.616 43.656 42.059 -0.032 0.000 1.236 1162 L HN 0.804 nan 8.230 nan 0.000 0.419 1163 Q N 3.874 123.664 119.800 -0.018 0.000 2.280 1163 Q HA 0.304 4.644 4.340 -0.000 0.000 0.259 1163 Q C -0.575 175.474 176.000 0.081 0.000 0.964 1163 Q CA -0.371 55.463 55.803 0.051 0.000 0.844 1163 Q CB 1.322 30.141 28.738 0.134 0.000 1.334 1163 Q HN 0.641 nan 8.270 nan 0.000 0.423 1164 N N 3.849 122.594 118.700 0.074 0.000 2.735 1164 N HA -0.290 4.450 4.740 -0.000 0.000 0.248 1164 N C -0.704 174.837 175.510 0.052 0.000 1.083 1164 N CA 1.098 54.188 53.050 0.067 0.000 0.703 1164 N CB -0.559 37.978 38.487 0.084 0.000 1.005 1164 N HN 0.860 nan 8.380 nan 0.000 0.550 1165 Q N -3.794 116.029 119.800 0.039 0.000 2.305 1165 Q HA -0.274 4.066 4.340 -0.000 0.000 0.203 1165 Q C -0.623 175.395 176.000 0.030 0.000 0.663 1165 Q CA 1.500 57.321 55.803 0.029 0.000 1.389 1165 Q CB -0.755 27.999 28.738 0.028 0.000 1.566 1165 Q HN 0.579 nan 8.270 nan 0.000 0.755 1166 K N 1.421 121.845 120.400 0.040 0.000 2.166 1166 K HA 0.592 4.912 4.320 -0.000 0.000 0.245 1166 K C -0.050 176.567 176.600 0.029 0.000 0.967 1166 K CA -0.620 55.690 56.287 0.039 0.000 0.863 1166 K CB 1.654 34.189 32.500 0.058 0.000 1.107 1166 K HN 0.091 nan 8.250 nan 0.000 0.436 1167 K N -0.713 119.699 120.400 0.020 0.000 2.477 1167 K HA 0.620 4.940 4.320 -0.000 0.000 0.255 1167 K C -1.392 175.209 176.600 0.002 0.000 0.952 1167 K CA -0.938 55.351 56.287 0.004 0.000 0.826 1167 K CB 2.179 34.678 32.500 -0.001 0.000 1.331 1167 K HN 0.302 nan 8.250 nan 0.000 0.437 1168 V N 0.482 120.390 119.914 -0.009 0.000 2.962 1168 V HA 0.429 4.549 4.120 -0.000 0.000 0.313 1168 V C -1.485 174.562 176.094 -0.079 0.000 1.099 1168 V CA -0.603 61.663 62.300 -0.056 0.000 0.971 1168 V CB 2.044 33.838 31.823 -0.049 0.000 1.028 1168 V HN 0.981 nan 8.190 nan 0.000 0.430 1169 E N 3.189 123.279 120.200 -0.183 0.000 2.210 1169 E HA 0.537 4.887 4.350 -0.000 0.000 0.266 1169 E C -1.955 174.487 176.600 -0.263 0.000 0.883 1169 E CA -0.530 55.808 56.400 -0.104 0.000 0.761 1169 E CB 1.648 31.320 29.700 -0.048 0.000 1.156 1169 E HN 0.549 nan 8.360 nan 0.000 0.412 1170 F N 2.662 122.631 119.950 0.032 0.000 2.482 1170 F HA 0.432 4.959 4.527 -0.000 0.000 0.331 1170 F C 0.238 176.073 175.800 0.057 0.000 1.115 1170 F CA -0.827 57.199 58.000 0.043 0.000 0.955 1170 F CB 1.680 40.705 39.000 0.041 0.000 1.136 1170 F HN 0.127 nan 8.300 nan 0.000 0.452 1171 K N 4.451 124.976 120.400 0.209 0.000 2.206 1171 K HA 0.708 5.028 4.320 -0.000 0.000 0.264 1171 K C -1.090 175.613 176.600 0.172 0.000 0.967 1171 K CA -0.505 55.885 56.287 0.171 0.000 0.844 1171 K CB 1.956 34.521 32.500 0.109 0.000 1.099 1171 K HN 0.545 nan 8.250 nan 0.000 0.441 1172 I N 2.460 123.135 120.570 0.175 0.000 2.478 1172 I HA 0.161 4.331 4.170 -0.000 0.000 0.287 1172 I C -0.921 175.269 176.117 0.122 0.000 1.042 1172 I CA -0.945 60.423 61.300 0.114 0.000 1.067 1172 I CB 2.029 40.055 38.000 0.043 0.000 1.233 1172 I HN 0.419 nan 8.210 nan 0.000 0.431 1173 D N 7.109 127.563 120.400 0.089 0.000 2.277 1173 D HA 0.417 5.057 4.640 -0.000 0.000 0.249 1173 D C -0.337 176.000 176.300 0.062 0.000 1.134 1173 D CA 0.056 54.118 54.000 0.103 0.000 0.863 1173 D CB 1.674 42.526 40.800 0.086 0.000 1.143 1173 D HN 0.131 nan 8.370 nan 0.000 0.458 1174 I N 2.424 123.052 120.570 0.097 0.000 2.465 1174 I HA 0.250 4.420 4.170 -0.000 0.000 0.291 1174 I C -0.114 176.062 176.117 0.099 0.000 1.014 1174 I CA -0.853 60.472 61.300 0.042 0.000 1.093 1174 I CB 1.761 39.721 38.000 -0.067 0.000 1.267 1174 I HN -0.017 nan 8.210 nan 0.000 0.431 1175 V N 6.959 126.919 119.914 0.078 0.000 2.370 1175 V HA 0.427 4.546 4.120 -0.000 0.000 0.283 1175 V C 0.014 176.135 176.094 0.045 0.000 1.023 1175 V CA -0.643 61.669 62.300 0.021 0.000 0.857 1175 V CB 2.105 33.845 31.823 -0.138 0.000 0.985 1175 V HN 0.434 nan 8.190 nan 0.000 0.443 1176 V N 6.470 126.412 119.914 0.048 0.000 2.409 1176 V HA 0.428 4.548 4.120 -0.000 0.000 0.291 1176 V C -0.015 176.110 176.094 0.051 0.000 1.020 1176 V CA -0.617 61.726 62.300 0.072 0.000 0.848 1176 V CB 1.664 33.550 31.823 0.105 0.000 0.990 1176 V HN 0.634 nan 8.190 nan 0.000 0.430 1177 L N 4.323 125.589 121.223 0.072 0.000 2.367 1177 L HA 0.534 4.874 4.340 -0.000 0.000 0.275 1177 L C 0.925 177.876 176.870 0.135 0.000 1.129 1177 L CA 0.054 54.941 54.840 0.078 0.000 0.839 1177 L CB 0.984 43.102 42.059 0.098 0.000 1.133 1177 L HN 0.798 nan 8.230 nan 0.000 0.453 1178 A N 4.223 127.094 122.820 0.086 0.000 2.332 1178 A HA 0.678 4.998 4.320 -0.000 0.000 0.258 1178 A C -0.598 177.089 177.584 0.170 0.000 1.087 1178 A CA -0.144 51.930 52.037 0.061 0.000 0.802 1178 A CB 0.420 19.411 19.000 -0.016 0.000 1.042 1178 A HN 0.629 nan 8.150 nan 0.000 0.489 1179 F N -1.374 118.580 119.950 0.006 0.000 2.668 1179 F HA 0.611 5.138 4.527 -0.000 0.000 0.309 1179 F C -0.803 175.000 175.800 0.006 0.000 1.117 1179 F CA -0.948 57.056 58.000 0.007 0.000 0.951 1179 F CB 1.445 40.451 39.000 0.010 0.000 1.323 1179 F HN 0.585 nan 8.300 nan 0.000 0.451 1180 Q N 2.962 122.851 119.800 0.150 0.000 2.256 1180 Q HA 0.329 4.668 4.340 -0.000 0.000 0.257 1180 Q C -0.554 175.562 176.000 0.194 0.000 0.936 1180 Q CA -0.821 55.009 55.803 0.045 0.000 0.903 1180 Q CB 1.587 30.353 28.738 0.046 0.000 1.263 1180 Q HN 0.666 nan 8.270 nan 0.000 0.440 1181 K N 0.000 120.453 120.400 0.088 0.000 2.780 1181 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1181 K CA 0.000 56.382 56.287 0.157 0.000 0.838 1181 K CB 0.000 32.545 32.500 0.075 0.000 1.064 1181 K HN 0.000 nan 8.250 nan 0.000 0.543