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 2nxy_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 0.000 176.636 176.600 0.060 0.000 0.988 1001 K CA 0.000 56.318 56.287 0.051 0.000 0.838 1001 K CB 0.000 32.524 32.500 0.040 0.000 1.064 1002 K N 1.755 122.199 120.400 0.073 0.000 2.297 1002 K HA 0.268 4.588 4.320 -0.000 0.000 0.286 1002 K C -0.614 176.041 176.600 0.091 0.000 1.053 1002 K CA -0.229 56.106 56.287 0.080 0.000 0.940 1002 K CB 1.370 33.925 32.500 0.090 0.000 1.019 1002 K HN 0.056 nan 8.250 nan 0.000 0.475 1003 V N 4.372 124.335 119.914 0.083 0.000 2.417 1003 V HA 0.380 4.499 4.120 -0.000 0.000 0.291 1003 V C -0.198 175.950 176.094 0.090 0.000 1.024 1003 V CA -0.946 61.409 62.300 0.091 0.000 0.861 1003 V CB 1.871 33.746 31.823 0.087 0.000 0.985 1003 V HN 0.379 nan 8.190 nan 0.000 0.436 1004 V N 6.151 126.124 119.914 0.098 0.000 2.588 1004 V HA 0.500 4.619 4.120 -0.000 0.000 0.304 1004 V C -0.312 175.843 176.094 0.102 0.000 1.042 1004 V CA -0.554 61.797 62.300 0.085 0.000 0.877 1004 V CB 1.924 33.787 31.823 0.066 0.000 0.996 1004 V HN 0.651 nan 8.190 nan 0.000 0.425 1005 L N 4.137 125.428 121.223 0.113 0.000 2.309 1005 L HA 0.835 5.175 4.340 -0.000 0.000 0.282 1005 L C 0.714 177.652 176.870 0.114 0.000 1.036 1005 L CA -0.227 54.715 54.840 0.170 0.000 0.806 1005 L CB 1.468 43.667 42.059 0.234 0.000 1.220 1005 L HN 0.756 nan 8.230 nan 0.000 0.429 1006 G N 2.007 110.880 108.800 0.121 0.000 2.511 1006 G HA2 0.609 4.569 3.960 -0.000 0.000 0.318 1006 G HA3 0.609 4.569 3.960 -0.000 0.000 0.318 1006 G C -1.163 173.805 174.900 0.113 0.000 1.210 1006 G CA -0.648 44.491 45.100 0.065 0.000 0.969 1006 G HN 0.491 nan 8.290 nan 0.000 0.484 1007 K N 0.593 121.020 120.400 0.045 0.000 2.182 1007 K HA 0.286 4.605 4.320 -0.000 0.000 0.262 1007 K C -0.039 176.633 176.600 0.121 0.000 0.957 1007 K CA -0.739 55.602 56.287 0.090 0.000 0.842 1007 K CB 2.352 34.773 32.500 -0.131 0.000 1.099 1007 K HN 0.451 nan 8.250 nan 0.000 0.438 1008 K N 1.158 121.681 120.400 0.205 0.000 2.453 1008 K HA -0.040 4.280 4.320 -0.000 0.000 0.280 1008 K C 0.598 177.257 176.600 0.098 0.000 1.045 1008 K CA 1.229 57.593 56.287 0.128 0.000 1.059 1008 K CB 0.001 32.581 32.500 0.132 0.000 0.901 1008 K HN 0.847 nan 8.250 nan 0.000 0.475 1009 G N 3.166 111.999 108.800 0.054 0.000 2.194 1009 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.236 1009 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.236 1009 G C -0.027 174.885 174.900 0.021 0.000 0.987 1009 G CA 0.237 45.359 45.100 0.037 0.000 0.635 1009 G HN 0.685 nan 8.290 nan 0.000 0.520 1010 D N 0.064 120.473 120.400 0.015 0.000 2.511 1010 D HA 0.689 5.329 4.640 -0.000 0.000 0.276 1010 D C 0.440 176.728 176.300 -0.020 0.000 1.220 1010 D CA 0.357 54.353 54.000 -0.007 0.000 1.077 1010 D CB 0.740 41.526 40.800 -0.023 0.000 1.126 1010 D HN 0.040 nan 8.370 nan 0.000 0.583 1011 T N -0.022 114.513 114.554 -0.031 0.000 2.829 1011 T HA 0.531 4.880 4.350 -0.000 0.000 0.280 1011 T C -0.876 173.792 174.700 -0.053 0.000 0.999 1011 T CA -0.526 61.548 62.100 -0.044 0.000 0.983 1011 T CB 1.548 70.391 68.868 -0.042 0.000 0.968 1011 T HN 0.049 nan 8.240 nan 0.000 0.446 1012 V N 2.471 122.341 119.914 -0.073 0.000 2.769 1012 V HA 0.643 4.763 4.120 -0.000 0.000 0.312 1012 V C -0.885 175.144 176.094 -0.109 0.000 1.061 1012 V CA -0.842 61.409 62.300 -0.081 0.000 0.931 1012 V CB 1.961 33.735 31.823 -0.082 0.000 1.010 1012 V HN 0.960 nan 8.190 nan 0.000 0.433 1013 E N 5.272 125.416 120.200 -0.093 0.000 2.155 1013 E HA 0.507 4.857 4.350 -0.000 0.000 0.264 1013 E C -1.603 174.936 176.600 -0.103 0.000 0.886 1013 E CA -0.606 55.731 56.400 -0.105 0.000 0.752 1013 E CB 1.400 31.062 29.700 -0.063 0.000 1.133 1013 E HN 0.686 nan 8.360 nan 0.000 0.414 1014 L N 4.239 125.349 121.223 -0.188 0.000 2.275 1014 L HA 0.388 4.728 4.340 -0.000 0.000 0.288 1014 L C 0.467 177.358 176.870 0.034 0.000 1.046 1014 L CA -0.830 53.931 54.840 -0.133 0.000 0.805 1014 L CB 1.357 43.197 42.059 -0.365 0.000 1.193 1014 L HN 0.615 nan 8.230 nan 0.000 0.426 1015 T N -0.781 113.882 114.554 0.181 0.000 2.882 1015 T HA 0.440 4.790 4.350 -0.000 0.000 0.287 1015 T C -0.415 174.509 174.700 0.374 0.000 0.992 1015 T CA -0.696 61.541 62.100 0.227 0.000 1.076 1015 T CB 1.639 70.577 68.868 0.116 0.000 0.961 1015 T HN 0.651 nan 8.240 nan 0.000 0.490 1016 c N 3.572 122.358 118.600 0.310 0.000 2.505 1016 c HA 0.695 5.264 4.570 -0.000 0.000 0.342 1016 c C -0.446 173.713 174.090 0.115 0.000 1.121 1016 c CA -0.226 56.212 56.329 0.181 0.000 1.306 1016 c CB 0.083 42.653 42.510 0.101 0.000 1.897 1016 c HN 1.096 nan 8.230 nan 0.000 0.446 1017 T N 4.931 119.530 114.554 0.074 0.000 2.812 1017 T HA 0.716 5.066 4.350 -0.000 0.000 0.282 1017 T C 0.181 174.930 174.700 0.082 0.000 0.990 1017 T CA -0.185 61.941 62.100 0.043 0.000 0.960 1017 T CB 1.623 70.498 68.868 0.011 0.000 0.948 1017 T HN 1.043 nan 8.240 nan 0.000 0.438 1018 A N 1.815 124.718 122.820 0.139 0.000 2.257 1018 A HA 0.610 4.929 4.320 -0.000 0.000 0.289 1018 A C 1.485 179.111 177.584 0.069 0.000 1.095 1018 A CA -0.333 51.790 52.037 0.144 0.000 0.836 1018 A CB 0.256 19.424 19.000 0.281 0.000 1.111 1018 A HN 0.938 nan 8.150 nan 0.000 0.497 1019 S N -1.030 114.701 115.700 0.053 0.000 2.561 1019 S HA 0.144 4.614 4.470 -0.000 0.000 0.225 1019 S C 0.469 175.086 174.600 0.029 0.000 0.977 1019 S CA 0.767 58.985 58.200 0.031 0.000 0.926 1019 S CB -0.142 63.071 63.200 0.021 0.000 0.769 1019 S HN 0.686 nan 8.310 nan 0.000 0.533 1020 Q N 0.740 120.566 119.800 0.043 0.000 2.421 1020 Q HA 0.466 4.806 4.340 -0.000 0.000 0.280 1020 Q C -1.568 174.455 176.000 0.039 0.000 1.085 1020 Q CA -0.488 55.337 55.803 0.037 0.000 0.807 1020 Q CB 1.642 30.404 28.738 0.040 0.000 1.405 1020 Q HN 0.196 nan 8.270 nan 0.000 0.419 1021 K N 2.419 122.833 120.400 0.023 0.000 2.187 1021 K HA 0.276 4.596 4.320 -0.000 0.000 0.242 1021 K C -0.614 176.007 176.600 0.034 0.000 1.179 1021 K CA -0.105 56.189 56.287 0.011 0.000 1.097 1021 K CB 0.142 32.641 32.500 -0.001 0.000 1.634 1021 K HN 0.274 nan 8.250 nan 0.000 0.335 1022 K N 0.513 120.954 120.400 0.068 0.000 2.562 1022 K HA 0.143 4.463 4.320 -0.000 0.000 0.267 1022 K C -1.252 175.467 176.600 0.198 0.000 0.938 1022 K CA -0.535 55.814 56.287 0.103 0.000 0.840 1022 K CB 2.037 34.589 32.500 0.086 0.000 1.390 1022 K HN 0.146 nan 8.250 nan 0.000 0.428 1023 S N 4.504 120.338 115.700 0.223 0.000 2.455 1023 S HA 0.353 4.823 4.470 -0.000 0.000 0.278 1023 S C 0.203 174.943 174.600 0.234 0.000 1.216 1023 S CA -0.604 57.808 58.200 0.355 0.000 1.055 1023 S CB -0.573 62.835 63.200 0.348 0.000 0.939 1023 S HN 0.452 nan 8.310 nan 0.000 0.494 1024 I N 1.905 122.594 120.570 0.199 0.000 3.445 1024 I HA 0.552 4.722 4.170 -0.000 0.000 0.303 1024 I C -0.273 175.707 176.117 -0.227 0.000 1.129 1024 I CA -1.416 59.869 61.300 -0.024 0.000 0.989 1024 I CB 1.500 39.488 38.000 -0.020 0.000 1.314 1024 I HN 0.416 nan 8.210 nan 0.000 0.488 1025 Q N 1.775 121.450 119.800 -0.208 0.000 2.297 1025 Q HA 0.348 4.688 4.340 -0.000 0.000 0.267 1025 Q C -1.612 174.191 176.000 -0.328 0.000 1.006 1025 Q CA -0.230 55.415 55.803 -0.263 0.000 0.896 1025 Q CB 0.668 29.305 28.738 -0.169 0.000 1.186 1025 Q HN 0.541 nan 8.270 nan 0.000 0.392 1026 F N 1.152 120.759 119.950 -0.572 0.000 2.613 1026 F HA 0.667 5.194 4.527 -0.000 0.000 0.314 1026 F C -1.677 173.941 175.800 -0.302 0.000 1.075 1026 F CA -1.048 56.623 58.000 -0.548 0.000 0.945 1026 F CB 1.527 39.994 39.000 -0.889 0.000 1.310 1026 F HN 0.594 nan 8.300 nan 0.000 0.467 1027 H N 0.122 119.046 119.070 -0.243 0.000 3.029 1027 H HA 0.398 4.954 4.556 -0.000 0.000 0.358 1027 H C -2.240 173.066 175.328 -0.036 0.000 1.129 1027 H CA -0.774 55.162 56.048 -0.187 0.000 1.230 1027 H CB 1.537 31.199 29.762 -0.167 0.000 1.827 1027 H HN 0.788 nan 8.280 nan 0.000 0.530 1028 W N 4.055 125.489 121.300 0.225 0.000 2.433 1028 W HA 0.513 5.173 4.660 -0.001 0.000 0.315 1028 W C -0.554 176.142 176.519 0.296 0.000 1.087 1028 W CA -0.454 57.045 57.345 0.257 0.000 1.205 1028 W CB 1.339 30.931 29.460 0.221 0.000 1.288 1028 W HN 0.333 nan 8.180 nan 0.000 0.504 1029 K N 2.146 122.825 120.400 0.465 0.000 2.400 1029 K HA 0.375 4.695 4.320 -0.000 0.000 0.246 1029 K C -0.225 176.564 176.600 0.316 0.000 0.995 1029 K CA -1.152 55.327 56.287 0.320 0.000 0.840 1029 K CB 1.583 34.173 32.500 0.149 0.000 1.293 1029 K HN 0.463 nan 8.250 nan 0.000 0.445 1030 N N -1.187 117.613 118.700 0.167 0.000 2.538 1030 N HA 0.037 4.777 4.740 -0.000 0.000 0.292 1030 N C 0.588 176.055 175.510 -0.072 0.000 1.262 1030 N CA -0.439 52.571 53.050 -0.066 0.000 0.976 1030 N CB 0.414 38.795 38.487 -0.177 0.000 1.161 1030 N HN 0.497 nan 8.380 nan 0.000 0.598 1031 S N -1.479 114.130 115.700 -0.151 0.000 2.469 1031 S HA -0.070 4.400 4.470 -0.000 0.000 0.238 1031 S C 0.628 175.197 174.600 -0.051 0.000 0.998 1031 S CA 0.464 58.613 58.200 -0.085 0.000 0.957 1031 S CB -0.554 62.587 63.200 -0.098 0.000 0.764 1031 S HN 0.600 nan 8.310 nan 0.000 0.514 1032 N N 1.148 119.819 118.700 -0.047 0.000 2.268 1032 N HA 0.115 4.855 4.740 -0.000 0.000 0.204 1032 N C -0.215 175.287 175.510 -0.013 0.000 1.124 1032 N CA 0.175 53.209 53.050 -0.026 0.000 0.838 1032 N CB 0.206 38.678 38.487 -0.024 0.000 0.994 1032 N HN 0.267 nan 8.380 nan 0.000 0.489 1033 Q N -0.843 118.953 119.800 -0.007 0.000 2.460 1033 Q HA -0.176 4.164 4.340 -0.000 0.000 0.248 1033 Q C -0.159 175.846 176.000 0.008 0.000 0.847 1033 Q CA 0.679 56.481 55.803 -0.002 0.000 1.214 1033 Q CB -2.198 26.530 28.738 -0.017 0.000 1.523 1033 Q HN 0.504 nan 8.270 nan 0.000 0.602 1034 I N 1.625 122.212 120.570 0.028 0.000 2.471 1034 I HA 0.030 4.200 4.170 -0.000 0.000 0.286 1034 I C 0.920 177.095 176.117 0.096 0.000 1.079 1034 I CA 0.005 61.333 61.300 0.048 0.000 1.398 1034 I CB 0.458 38.490 38.000 0.052 0.000 1.403 1034 I HN -0.178 nan 8.210 nan 0.000 0.530 1035 K N 5.852 126.304 120.400 0.087 0.000 2.416 1035 K HA 0.123 4.443 4.320 -0.000 0.000 0.283 1035 K C 0.580 177.320 176.600 0.234 0.000 1.037 1035 K CA -0.153 56.237 56.287 0.171 0.000 0.995 1035 K CB 0.893 33.461 32.500 0.114 0.000 0.938 1035 K HN 0.483 nan 8.250 nan 0.000 0.475 1036 I N 2.587 123.341 120.570 0.308 0.000 2.512 1036 I HA 0.160 4.330 4.170 -0.000 0.000 0.247 1036 I C 0.611 176.833 176.117 0.175 0.000 1.094 1036 I CA 0.775 62.216 61.300 0.236 0.000 1.427 1036 I CB -0.639 37.522 38.000 0.268 0.000 1.149 1036 I HN 0.573 nan 8.210 nan 0.000 0.438 1037 L N -0.885 120.434 121.223 0.160 0.000 2.731 1037 L HA 0.648 4.988 4.340 -0.000 0.000 0.256 1037 L C -1.215 175.422 176.870 -0.388 0.000 0.947 1037 L CA -0.280 54.553 54.840 -0.012 0.000 0.914 1037 L CB 1.891 44.007 42.059 0.095 0.000 1.470 1037 L HN 0.237 nan 8.230 nan 0.000 0.421 1038 G N 1.520 109.917 108.800 -0.673 0.000 2.561 1038 G HA2 0.432 4.392 3.960 -0.000 0.000 0.310 1038 G HA3 0.432 4.392 3.960 -0.000 0.000 0.310 1038 G C -2.107 172.214 174.900 -0.965 0.000 1.292 1038 G CA -0.298 44.034 45.100 -1.279 0.000 0.811 1038 G HN 0.933 nan 8.290 nan 0.000 0.482 1039 N N -0.452 117.561 118.700 -1.145 0.000 2.328 1039 N HA 0.563 5.303 4.740 -0.000 0.000 0.299 1039 N C -1.259 174.088 175.510 -0.272 0.000 1.179 1039 N CA -0.777 51.933 53.050 -0.565 0.000 0.793 1039 N CB 2.140 40.175 38.487 -0.753 0.000 1.366 1039 N HN 0.297 nan 8.380 nan 0.000 0.493 1040 Q N 0.454 120.236 119.800 -0.030 0.000 2.464 1040 Q HA 0.405 4.745 4.340 -0.000 0.000 0.256 1040 Q C 0.758 176.823 176.000 0.108 0.000 1.020 1040 Q CA -0.093 55.736 55.803 0.043 0.000 0.716 1040 Q CB 1.030 29.833 28.738 0.108 0.000 1.230 1040 Q HN 1.039 nan 8.270 nan 0.000 0.494 1041 G N 2.627 111.443 108.800 0.026 0.000 2.620 1041 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.315 1041 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.315 1041 G C 0.628 175.547 174.900 0.032 0.000 1.179 1041 G CA 0.869 45.980 45.100 0.018 0.000 0.971 1041 G HN 0.776 nan 8.290 nan 0.000 0.544 1042 S N 0.066 115.700 115.700 -0.110 0.000 2.572 1042 S HA 0.632 5.101 4.470 -0.000 0.000 0.228 1042 S C 0.170 174.703 174.600 -0.112 0.000 0.963 1042 S CA 0.022 58.169 58.200 -0.089 0.000 0.939 1042 S CB 0.142 63.165 63.200 -0.295 0.000 0.804 1042 S HN 0.523 nan 8.310 nan 0.000 0.480 1043 F N 1.230 121.348 119.950 0.280 0.000 2.492 1043 F HA 0.650 5.177 4.527 -0.000 0.000 0.327 1043 F C -0.156 175.819 175.800 0.293 0.000 1.079 1043 F CA -1.769 56.370 58.000 0.232 0.000 0.967 1043 F CB 1.138 40.210 39.000 0.119 0.000 1.169 1043 F HN 0.012 nan 8.300 nan 0.000 0.472 1044 L N 2.429 123.952 121.223 0.500 0.000 2.326 1044 L HA 0.607 4.947 4.340 -0.000 0.000 0.278 1044 L C 0.172 177.159 176.870 0.195 0.000 1.092 1044 L CA 0.137 55.209 54.840 0.387 0.000 0.810 1044 L CB 1.012 43.296 42.059 0.375 0.000 1.153 1044 L HN 0.791 nan 8.230 nan 0.000 0.439 1045 T N 1.515 116.116 114.554 0.078 0.000 2.885 1045 T HA 0.627 4.977 4.350 -0.000 0.000 0.285 1045 T C -0.580 174.135 174.700 0.024 0.000 1.019 1045 T CA -0.983 61.140 62.100 0.038 0.000 1.010 1045 T CB 1.440 70.317 68.868 0.016 0.000 1.022 1045 T HN 0.601 nan 8.240 nan 0.000 0.466 1046 K N 1.170 121.600 120.400 0.050 0.000 2.324 1046 K HA 0.632 4.952 4.320 -0.000 0.000 0.253 1046 K C 0.268 176.917 176.600 0.081 0.000 0.932 1046 K CA -1.076 55.248 56.287 0.062 0.000 0.799 1046 K CB 2.446 34.980 32.500 0.057 0.000 1.154 1046 K HN 0.863 nan 8.250 nan 0.000 0.425 1047 G N 1.388 110.255 108.800 0.111 0.000 2.535 1047 G HA2 0.271 4.231 3.960 -0.000 0.000 0.303 1047 G HA3 0.271 4.231 3.960 -0.000 0.000 0.303 1047 G C -2.068 172.879 174.900 0.079 0.000 1.237 1047 G CA -1.211 43.957 45.100 0.114 0.000 0.986 1047 G HN 0.353 nan 8.290 nan 0.000 0.494 1048 P HA 0.109 nan 4.420 nan 0.000 0.246 1048 P C 0.231 177.562 177.300 0.051 0.000 1.686 1048 P CA -0.068 63.060 63.100 0.047 0.000 0.867 1048 P CB -0.219 31.502 31.700 0.035 0.000 1.733 1049 S N -0.422 115.318 115.700 0.066 0.000 2.713 1049 S HA 0.344 4.814 4.470 -0.000 0.000 0.283 1049 S C 1.116 175.751 174.600 0.058 0.000 1.161 1049 S CA -0.712 57.531 58.200 0.072 0.000 0.999 1049 S CB 1.597 64.861 63.200 0.107 0.000 1.039 1049 S HN -0.062 nan 8.310 nan 0.000 0.548 1050 K N 0.023 120.458 120.400 0.058 0.000 2.439 1050 K HA 0.081 4.400 4.320 -0.000 0.000 0.197 1050 K C 0.700 177.326 176.600 0.044 0.000 1.041 1050 K CA 0.531 56.845 56.287 0.045 0.000 0.970 1050 K CB -0.488 32.037 32.500 0.042 0.000 0.773 1050 K HN 0.399 nan 8.250 nan 0.000 0.479 1051 L N 1.119 122.375 121.223 0.055 0.000 2.567 1051 L HA -0.010 4.330 4.340 -0.000 0.000 0.225 1051 L C 1.782 178.666 176.870 0.023 0.000 1.119 1051 L CA 0.537 55.397 54.840 0.034 0.000 0.871 1051 L CB -0.723 41.355 42.059 0.033 0.000 1.036 1051 L HN 0.211 nan 8.230 nan 0.000 0.459 1052 N N 1.391 120.111 118.700 0.035 0.000 2.036 1052 N HA -0.278 4.462 4.740 -0.000 0.000 0.199 1052 N C 1.258 176.781 175.510 0.022 0.000 1.036 1052 N CA 2.285 55.355 53.050 0.033 0.000 0.870 1052 N CB 0.002 38.510 38.487 0.036 0.000 1.055 1052 N HN 0.536 nan 8.380 nan 0.000 0.436 1053 D N -0.705 119.704 120.400 0.016 0.000 2.349 1053 D HA -0.057 4.583 4.640 -0.000 0.000 0.224 1053 D C 1.000 177.302 176.300 0.003 0.000 1.029 1053 D CA 0.437 54.444 54.000 0.011 0.000 0.879 1053 D CB -0.317 40.489 40.800 0.010 0.000 0.906 1053 D HN 0.363 nan 8.370 nan 0.000 0.528 1054 R N -0.359 120.139 120.500 -0.003 0.000 2.508 1054 R HA 0.451 4.791 4.340 -0.000 0.000 0.300 1054 R C 0.066 176.347 176.300 -0.032 0.000 0.970 1054 R CA -0.133 55.958 56.100 -0.016 0.000 1.102 1054 R CB 1.320 31.610 30.300 -0.017 0.000 1.246 1054 R HN 0.074 nan 8.270 nan 0.000 0.539 1055 A N 0.825 123.631 122.820 -0.024 0.000 2.317 1055 A HA 0.553 4.873 4.320 -0.000 0.000 0.327 1055 A C -1.070 176.509 177.584 -0.008 0.000 1.178 1055 A CA -0.370 51.642 52.037 -0.041 0.000 0.817 1055 A CB 1.212 20.189 19.000 -0.039 0.000 1.189 1055 A HN 0.020 nan 8.150 nan 0.000 0.489 1056 D N -0.352 120.040 120.400 -0.013 0.000 2.643 1056 D HA 0.650 5.290 4.640 -0.000 0.000 0.283 1056 D C -0.430 175.913 176.300 0.071 0.000 1.242 1056 D CA 0.002 54.025 54.000 0.038 0.000 0.863 1056 D CB 2.250 43.059 40.800 0.014 0.000 1.382 1056 D HN 0.487 nan 8.370 nan 0.000 0.444 1057 S N -0.442 115.352 115.700 0.158 0.000 2.837 1057 S HA 0.668 5.137 4.470 -0.000 0.000 0.314 1057 S C -1.049 173.609 174.600 0.096 0.000 1.098 1057 S CA -0.595 57.749 58.200 0.239 0.000 0.903 1057 S CB 1.115 64.698 63.200 0.639 0.000 1.310 1057 S HN 0.362 nan 8.310 nan 0.000 0.581 1058 R N 1.047 121.593 120.500 0.077 0.000 2.415 1058 R HA 0.324 4.664 4.340 -0.000 0.000 0.292 1058 R C 1.286 177.345 176.300 -0.402 0.000 1.295 1058 R CA -0.405 55.624 56.100 -0.117 0.000 1.137 1058 R CB 0.348 30.608 30.300 -0.068 0.000 1.135 1058 R HN 0.763 nan 8.270 nan 0.000 0.560 1059 R N 1.009 121.068 120.500 -0.736 0.000 2.189 1059 R HA -0.064 4.275 4.340 -0.000 0.000 0.223 1059 R C 0.921 176.776 176.300 -0.741 0.000 1.092 1059 R CA 1.762 56.975 56.100 -1.479 0.000 0.989 1059 R CB -0.026 29.470 30.300 -1.339 0.000 0.876 1059 R HN 0.430 nan 8.270 nan 0.000 0.457 1060 S N 0.538 116.000 115.700 -0.396 0.000 2.547 1060 S HA 0.034 4.504 4.470 -0.000 0.000 0.235 1060 S C 1.652 176.164 174.600 -0.146 0.000 0.980 1060 S CA 0.426 58.498 58.200 -0.214 0.000 0.941 1060 S CB -0.104 63.006 63.200 -0.150 0.000 0.763 1060 S HN 0.396 nan 8.310 nan 0.000 0.532 1061 L N -1.449 119.679 121.223 -0.158 0.000 2.638 1061 L HA 0.297 4.636 4.340 -0.000 0.000 0.232 1061 L C 1.794 178.645 176.870 -0.033 0.000 1.099 1061 L CA -0.223 54.566 54.840 -0.085 0.000 0.883 1061 L CB -0.190 41.818 42.059 -0.084 0.000 1.136 1061 L HN 0.292 nan 8.230 nan 0.000 0.492 1062 W N 1.235 122.424 121.300 -0.185 0.000 2.338 1062 W HA -0.175 4.485 4.660 -0.001 0.000 0.304 1062 W C 1.982 178.418 176.519 -0.140 0.000 1.212 1062 W CA 0.560 57.783 57.345 -0.203 0.000 1.264 1062 W CB -0.787 28.757 29.460 0.139 0.000 1.142 1062 W HN 0.182 nan 8.180 nan 0.000 0.512 1063 D N -0.465 120.033 120.400 0.164 0.000 2.350 1063 D HA -0.111 4.529 4.640 -0.000 0.000 0.216 1063 D C 1.618 177.929 176.300 0.019 0.000 0.968 1063 D CA 0.986 55.042 54.000 0.094 0.000 0.894 1063 D CB -0.164 40.674 40.800 0.063 0.000 0.909 1063 D HN 0.251 nan 8.370 nan 0.000 0.520 1064 Q N -0.655 119.118 119.800 -0.045 0.000 2.247 1064 Q HA 0.242 4.582 4.340 -0.000 0.000 0.204 1064 Q C 1.175 177.090 176.000 -0.143 0.000 0.872 1064 Q CA 0.141 55.899 55.803 -0.075 0.000 0.951 1064 Q CB 0.818 29.510 28.738 -0.076 0.000 1.099 1064 Q HN 0.246 nan 8.270 nan 0.000 0.501 1065 G N 1.744 110.396 108.800 -0.247 0.000 2.160 1065 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.244 1065 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.244 1065 G C -0.270 174.185 174.900 -0.742 0.000 1.022 1065 G CA 0.126 45.006 45.100 -0.367 0.000 0.741 1065 G HN 0.363 nan 8.290 nan 0.000 0.508 1066 N N -0.597 117.548 118.700 -0.924 0.000 2.372 1066 N HA 0.709 5.449 4.740 -0.000 0.000 0.285 1066 N C -0.665 174.322 175.510 -0.871 0.000 1.008 1066 N CA -0.538 52.098 53.050 -0.691 0.000 0.880 1066 N CB 0.883 39.209 38.487 -0.268 0.000 1.239 1066 N HN 0.122 nan 8.380 nan 0.000 0.484 1067 F N 2.236 122.079 119.950 -0.178 0.000 2.622 1067 F HA 0.367 4.894 4.527 -0.000 0.000 0.338 1067 F C -2.192 173.565 175.800 -0.070 0.000 1.334 1067 F CA -1.825 55.876 58.000 -0.500 0.000 1.179 1067 F CB 0.970 39.011 39.000 -1.598 0.000 1.471 1067 F HN 0.211 nan 8.300 nan 0.000 0.576 1068 P HA 0.077 nan 4.420 nan 0.000 0.274 1068 P C -0.479 176.856 177.300 0.059 0.000 1.231 1068 P CA -0.237 62.971 63.100 0.180 0.000 0.790 1068 P CB 2.149 33.886 31.700 0.063 0.000 0.951 1069 L N 4.092 125.081 121.223 -0.390 0.000 2.262 1069 L HA 0.416 4.755 4.340 -0.000 0.000 0.288 1069 L C -0.291 176.323 176.870 -0.428 0.000 1.035 1069 L CA -0.782 53.619 54.840 -0.731 0.000 0.820 1069 L CB -0.028 40.993 42.059 -1.730 0.000 1.204 1069 L HN 0.281 nan 8.230 nan 0.000 0.424 1070 I N 6.154 126.582 120.570 -0.236 0.000 2.339 1070 I HA 0.355 4.525 4.170 -0.000 0.000 0.290 1070 I C -0.362 175.656 176.117 -0.166 0.000 0.994 1070 I CA -0.388 60.811 61.300 -0.169 0.000 1.191 1070 I CB 1.704 39.651 38.000 -0.087 0.000 1.343 1070 I HN 0.475 nan 8.210 nan 0.000 0.458 1071 I N 7.326 127.793 120.570 -0.172 0.000 2.418 1071 I HA 0.314 4.483 4.170 -0.000 0.000 0.287 1071 I C -0.098 175.964 176.117 -0.092 0.000 1.008 1071 I CA -0.685 60.528 61.300 -0.145 0.000 1.104 1071 I CB 1.389 39.272 38.000 -0.196 0.000 1.264 1071 I HN 0.572 nan 8.210 nan 0.000 0.438 1072 K N 3.745 124.107 120.400 -0.063 0.000 2.210 1072 K HA 0.457 4.776 4.320 -0.000 0.000 0.236 1072 K C 0.255 176.837 176.600 -0.029 0.000 1.016 1072 K CA -0.881 55.381 56.287 -0.042 0.000 0.913 1072 K CB 0.613 33.094 32.500 -0.032 0.000 1.141 1072 K HN 0.425 nan 8.250 nan 0.000 0.462 1073 N N 0.401 119.091 118.700 -0.017 0.000 2.689 1073 N HA -0.194 4.546 4.740 -0.000 0.000 0.263 1073 N C -1.116 174.392 175.510 -0.004 0.000 0.987 1073 N CA 0.316 53.363 53.050 -0.005 0.000 0.782 1073 N CB -1.085 37.400 38.487 -0.003 0.000 0.903 1073 N HN 0.638 nan 8.380 nan 0.000 0.547 1074 L N 0.319 121.539 121.223 -0.005 0.000 2.514 1074 L HA -0.017 4.323 4.340 -0.000 0.000 0.280 1074 L C 1.107 177.983 176.870 0.010 0.000 1.223 1074 L CA 0.720 55.557 54.840 -0.004 0.000 0.864 1074 L CB 0.274 42.332 42.059 -0.003 0.000 1.118 1074 L HN 0.261 nan 8.230 nan 0.000 0.494 1075 K N 2.742 123.146 120.400 0.007 0.000 2.267 1075 K HA 0.301 4.621 4.320 -0.000 0.000 0.246 1075 K C 0.622 177.222 176.600 -0.000 0.000 0.954 1075 K CA -1.054 55.239 56.287 0.010 0.000 0.824 1075 K CB 2.065 34.571 32.500 0.010 0.000 1.167 1075 K HN 0.230 nan 8.250 nan 0.000 0.431 1076 I N 2.232 122.797 120.570 -0.008 0.000 2.194 1076 I HA -0.298 3.872 4.170 -0.000 0.000 0.246 1076 I C 2.169 178.263 176.117 -0.037 0.000 1.093 1076 I CA 1.690 62.965 61.300 -0.041 0.000 1.355 1076 I CB -0.345 37.631 38.000 -0.039 0.000 1.046 1076 I HN 0.685 nan 8.210 nan 0.000 0.413 1077 E N -0.336 119.857 120.200 -0.011 0.000 2.478 1077 E HA -0.182 4.168 4.350 -0.000 0.000 0.198 1077 E C 0.965 177.581 176.600 0.027 0.000 1.046 1077 E CA 0.770 57.170 56.400 0.000 0.000 0.870 1077 E CB -0.589 29.115 29.700 0.006 0.000 0.818 1077 E HN 0.485 nan 8.360 nan 0.000 0.527 1078 D N 1.429 121.853 120.400 0.039 0.000 2.312 1078 D HA -0.019 4.621 4.640 -0.000 0.000 0.211 1078 D C 0.056 176.448 176.300 0.153 0.000 0.964 1078 D CA 0.380 54.441 54.000 0.102 0.000 0.877 1078 D CB -0.049 40.785 40.800 0.058 0.000 0.924 1078 D HN -0.022 nan 8.370 nan 0.000 0.515 1079 S N 1.431 117.163 115.700 0.054 0.000 2.546 1079 S HA 0.162 4.632 4.470 -0.000 0.000 0.290 1079 S C 0.030 174.644 174.600 0.024 0.000 1.262 1079 S CA 0.244 58.465 58.200 0.034 0.000 1.083 1079 S CB 0.700 63.861 63.200 -0.066 0.000 0.859 1079 S HN 0.178 nan 8.310 nan 0.000 0.495 1080 D N 0.396 120.815 120.400 0.031 0.000 2.769 1080 D HA 0.257 4.897 4.640 -0.000 0.000 0.309 1080 D C -1.168 175.016 176.300 -0.195 0.000 1.315 1080 D CA -0.379 53.515 54.000 -0.177 0.000 0.780 1080 D CB 1.271 41.800 40.800 -0.451 0.000 1.312 1080 D HN 0.321 nan 8.370 nan 0.000 0.437 1081 T N 1.494 115.889 114.554 -0.265 0.000 2.767 1081 T HA 0.516 4.866 4.350 -0.000 0.000 0.288 1081 T C -0.783 173.752 174.700 -0.275 0.000 0.963 1081 T CA -0.075 61.947 62.100 -0.130 0.000 1.019 1081 T CB 0.075 68.916 68.868 -0.045 0.000 0.923 1081 T HN 0.110 nan 8.240 nan 0.000 0.468 1082 Y N 2.261 122.664 120.300 0.172 0.000 2.393 1082 Y HA 0.630 5.180 4.550 -0.000 0.000 0.341 1082 Y C -0.112 175.998 175.900 0.349 0.000 0.988 1082 Y CA -1.227 57.047 58.100 0.289 0.000 1.078 1082 Y CB 1.133 39.786 38.460 0.322 0.000 1.203 1082 Y HN 0.437 nan 8.280 nan 0.000 0.453 1083 I N 2.621 123.443 120.570 0.419 0.000 2.436 1083 I HA 0.320 4.489 4.170 -0.000 0.000 0.289 1083 I C -0.886 175.166 176.117 -0.108 0.000 1.010 1083 I CA -0.502 60.880 61.300 0.135 0.000 1.098 1083 I CB 1.614 39.649 38.000 0.059 0.000 1.266 1083 I HN 0.601 nan 8.210 nan 0.000 0.434 1084 c N 6.401 124.666 118.600 -0.559 0.000 2.273 1084 c HA 0.506 5.075 4.570 -0.000 0.000 0.328 1084 c C -0.084 173.753 174.090 -0.422 0.000 1.275 1084 c CA -0.350 55.414 56.329 -0.940 0.000 1.704 1084 c CB -0.436 41.074 42.510 -1.667 0.000 2.326 1084 c HN 0.795 nan 8.230 nan 0.000 0.517 1085 E N 4.230 124.265 120.200 -0.275 0.000 2.113 1085 E HA 0.572 4.922 4.350 -0.000 0.000 0.273 1085 E C -0.920 175.586 176.600 -0.156 0.000 0.924 1085 E CA -0.324 55.980 56.400 -0.161 0.000 0.764 1085 E CB 1.919 31.559 29.700 -0.098 0.000 1.104 1085 E HN 0.499 nan 8.360 nan 0.000 0.406 1086 V N 2.877 122.704 119.914 -0.146 0.000 2.891 1086 V HA 0.108 4.228 4.120 -0.000 0.000 0.304 1086 V C -0.761 175.276 176.094 -0.095 0.000 1.171 1086 V CA -0.388 61.822 62.300 -0.150 0.000 0.943 1086 V CB 1.681 33.388 31.823 -0.193 0.000 1.037 1086 V HN 0.922 nan 8.190 nan 0.000 0.427 1087 E N 3.708 123.858 120.200 -0.083 0.000 2.360 1087 E HA -0.228 4.122 4.350 -0.000 0.000 0.238 1087 E C 0.258 176.831 176.600 -0.046 0.000 1.186 1087 E CA 0.905 57.276 56.400 -0.049 0.000 0.719 1087 E CB -0.694 28.991 29.700 -0.025 0.000 1.236 1087 E HN 0.949 nan 8.360 nan 0.000 0.386 1088 D N -0.218 120.149 120.400 -0.055 0.000 2.811 1088 D HA -0.211 4.429 4.640 -0.000 0.000 0.231 1088 D C -0.393 175.880 176.300 -0.044 0.000 1.157 1088 D CA 1.911 55.882 54.000 -0.048 0.000 0.716 1088 D CB -0.527 40.250 40.800 -0.037 0.000 1.077 1088 D HN 0.599 nan 8.370 nan 0.000 0.428 1089 Q N -0.736 119.032 119.800 -0.053 0.000 2.528 1089 Q HA 0.595 4.935 4.340 -0.000 0.000 0.289 1089 Q C -0.490 175.470 176.000 -0.067 0.000 1.091 1089 Q CA -0.862 54.912 55.803 -0.049 0.000 0.797 1089 Q CB 1.942 30.657 28.738 -0.038 0.000 1.466 1089 Q HN -0.049 nan 8.270 nan 0.000 0.436 1090 K N 1.316 121.680 120.400 -0.059 0.000 2.507 1090 K HA 0.344 4.663 4.320 -0.000 0.000 0.252 1090 K C -1.350 175.212 176.600 -0.063 0.000 0.943 1090 K CA -0.420 55.823 56.287 -0.074 0.000 0.808 1090 K CB 2.105 34.574 32.500 -0.051 0.000 1.142 1090 K HN 0.408 nan 8.250 nan 0.000 0.426 1091 E N 2.251 122.390 120.200 -0.101 0.000 2.134 1091 E HA 0.120 4.470 4.350 -0.000 0.000 0.278 1091 E C -1.037 175.553 176.600 -0.016 0.000 0.959 1091 E CA -0.399 55.966 56.400 -0.059 0.000 0.783 1091 E CB 1.805 31.456 29.700 -0.082 0.000 1.095 1091 E HN 0.384 nan 8.360 nan 0.000 0.399 1092 E N 2.554 122.781 120.200 0.045 0.000 2.166 1092 E HA 0.393 4.743 4.350 -0.000 0.000 0.275 1092 E C -1.646 175.042 176.600 0.148 0.000 0.941 1092 E CA -0.649 55.809 56.400 0.096 0.000 0.784 1092 E CB 1.838 31.575 29.700 0.062 0.000 1.115 1092 E HN 0.174 nan 8.360 nan 0.000 0.399 1093 V N 4.834 124.885 119.914 0.229 0.000 2.623 1093 V HA 0.241 4.361 4.120 -0.000 0.000 0.304 1093 V C -1.170 175.062 176.094 0.230 0.000 1.054 1093 V CA -0.541 61.897 62.300 0.230 0.000 0.882 1093 V CB 1.866 33.860 31.823 0.285 0.000 1.002 1093 V HN 0.765 nan 8.190 nan 0.000 0.424 1094 Q N 4.885 124.781 119.800 0.161 0.000 2.296 1094 Q HA 0.492 4.832 4.340 -0.000 0.000 0.257 1094 Q C -1.352 174.738 176.000 0.150 0.000 0.942 1094 Q CA -0.644 55.242 55.803 0.139 0.000 0.939 1094 Q CB 1.624 30.417 28.738 0.091 0.000 1.198 1094 Q HN 0.757 nan 8.270 nan 0.000 0.429 1095 L N 5.346 126.680 121.223 0.185 0.000 2.282 1095 L HA 0.408 4.748 4.340 -0.000 0.000 0.288 1095 L C -1.740 175.177 176.870 0.079 0.000 1.033 1095 L CA -0.450 54.480 54.840 0.149 0.000 0.807 1095 L CB 1.175 43.353 42.059 0.197 0.000 1.209 1095 L HN 0.565 nan 8.230 nan 0.000 0.423 1096 L N 6.727 127.975 121.223 0.042 0.000 2.325 1096 L HA 0.521 4.860 4.340 -0.000 0.000 0.281 1096 L C -0.560 176.203 176.870 -0.180 0.000 1.004 1096 L CA -0.477 54.303 54.840 -0.099 0.000 0.823 1096 L CB 1.696 43.742 42.059 -0.022 0.000 1.236 1096 L HN 0.318 nan 8.230 nan 0.000 0.415 1097 V N 4.604 124.334 119.914 -0.306 0.000 2.398 1097 V HA 0.510 4.629 4.120 -0.000 0.000 0.286 1097 V C -0.318 175.558 176.094 -0.364 0.000 1.026 1097 V CA -0.444 61.742 62.300 -0.190 0.000 0.868 1097 V CB 1.379 33.158 31.823 -0.073 0.000 0.982 1097 V HN 0.407 nan 8.190 nan 0.000 0.443 1098 F N 2.028 122.078 119.950 0.167 0.000 2.561 1098 F HA 0.857 5.384 4.527 -0.000 0.000 0.321 1098 F C 0.690 176.647 175.800 0.261 0.000 1.065 1098 F CA -0.602 57.516 58.000 0.197 0.000 0.934 1098 F CB 2.353 41.511 39.000 0.263 0.000 1.215 1098 F HN 0.571 nan 8.300 nan 0.000 0.471 1099 G N 1.950 110.905 108.800 0.258 0.000 2.591 1099 G HA2 0.672 4.632 3.960 -0.000 0.000 0.306 1099 G HA3 0.672 4.632 3.960 -0.000 0.000 0.306 1099 G C -2.237 172.526 174.900 -0.228 0.000 1.334 1099 G CA -0.629 44.523 45.100 0.086 0.000 0.981 1099 G HN 0.640 nan 8.290 nan 0.000 0.491 1100 L N 2.015 122.977 121.223 -0.435 0.000 2.406 1100 L HA 0.709 5.049 4.340 -0.000 0.000 0.272 1100 L C -0.335 176.406 176.870 -0.216 0.000 0.980 1100 L CA -0.682 53.876 54.840 -0.470 0.000 0.831 1100 L CB 2.395 43.905 42.059 -0.914 0.000 1.253 1100 L HN 0.794 nan 8.230 nan 0.000 0.406 1101 T N 0.866 115.332 114.554 -0.147 0.000 2.893 1101 T HA 0.775 5.125 4.350 -0.000 0.000 0.293 1101 T C -0.190 174.445 174.700 -0.108 0.000 1.027 1101 T CA -0.629 61.415 62.100 -0.093 0.000 0.988 1101 T CB 2.056 70.888 68.868 -0.059 0.000 1.043 1101 T HN 0.625 nan 8.240 nan 0.000 0.461 1102 A N 2.598 125.352 122.820 -0.110 0.000 2.332 1102 A HA 0.404 4.723 4.320 -0.000 0.000 0.258 1102 A C 1.701 179.224 177.584 -0.101 0.000 1.087 1102 A CA -0.488 51.466 52.037 -0.138 0.000 0.802 1102 A CB 0.105 19.003 19.000 -0.171 0.000 1.042 1102 A HN 1.007 nan 8.150 nan 0.000 0.489 1103 N N 0.234 118.872 118.700 -0.103 0.000 2.166 1103 N HA -0.115 4.625 4.740 -0.000 0.000 0.186 1103 N C 0.496 175.970 175.510 -0.061 0.000 1.019 1103 N CA 1.591 54.596 53.050 -0.074 0.000 0.856 1103 N CB -0.262 38.183 38.487 -0.070 0.000 0.993 1103 N HN 0.733 nan 8.380 nan 0.000 0.426 1104 S N -1.131 114.530 115.700 -0.066 0.000 2.599 1104 S HA 0.427 4.897 4.470 -0.000 0.000 0.287 1104 S C -0.972 173.598 174.600 -0.049 0.000 1.105 1104 S CA -0.827 57.342 58.200 -0.052 0.000 0.899 1104 S CB 2.162 65.335 63.200 -0.045 0.000 1.100 1104 S HN -0.014 nan 8.310 nan 0.000 0.482 1105 D N 0.914 121.288 120.400 -0.043 0.000 2.369 1105 D HA 0.183 4.823 4.640 -0.000 0.000 0.211 1105 D C 0.346 176.616 176.300 -0.049 0.000 1.077 1105 D CA 0.238 54.217 54.000 -0.035 0.000 0.842 1105 D CB 0.536 41.317 40.800 -0.031 0.000 0.947 1105 D HN 0.756 nan 8.370 nan 0.000 0.509 1106 T N -1.956 112.559 114.554 -0.065 0.000 2.918 1106 T HA 0.298 4.648 4.350 -0.000 0.000 0.283 1106 T C 0.175 174.862 174.700 -0.021 0.000 1.001 1106 T CA -0.743 61.284 62.100 -0.122 0.000 1.041 1106 T CB 0.898 69.698 68.868 -0.113 0.000 1.028 1106 T HN 0.077 nan 8.240 nan 0.000 0.511 1107 H N 0.076 119.144 119.070 -0.003 0.000 2.928 1107 H HA 0.341 4.897 4.556 -0.000 0.000 0.338 1107 H C -0.055 175.275 175.328 0.004 0.000 1.047 1107 H CA -0.618 55.434 56.048 0.006 0.000 1.435 1107 H CB 0.315 30.087 29.762 0.017 0.000 1.428 1107 H HN 0.304 nan 8.280 nan 0.000 0.590 1108 L N 2.757 124.062 121.223 0.137 0.000 2.358 1108 L HA 0.262 4.602 4.340 -0.000 0.000 0.268 1108 L C -0.580 176.337 176.870 0.079 0.000 1.032 1108 L CA -1.023 53.861 54.840 0.074 0.000 0.805 1108 L CB 0.983 43.067 42.059 0.043 0.000 1.253 1108 L HN 0.293 nan 8.230 nan 0.000 0.452 1109 L N 0.850 122.106 121.223 0.056 0.000 2.344 1109 L HA 0.347 4.687 4.340 -0.000 0.000 0.272 1109 L C -0.012 176.903 176.870 0.075 0.000 1.035 1109 L CA -0.190 54.684 54.840 0.057 0.000 0.807 1109 L CB 1.323 43.387 42.059 0.008 0.000 1.237 1109 L HN 0.504 nan 8.230 nan 0.000 0.442 1110 Q N 1.178 121.049 119.800 0.118 0.000 2.315 1110 Q HA 0.341 4.681 4.340 -0.000 0.000 0.289 1110 Q C 0.963 177.017 176.000 0.090 0.000 1.044 1110 Q CA 1.017 56.901 55.803 0.134 0.000 0.920 1110 Q CB 0.221 29.094 28.738 0.225 0.000 1.214 1110 Q HN 0.920 nan 8.270 nan 0.000 0.392 1111 G N 1.558 110.405 108.800 0.079 0.000 2.217 1111 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.246 1111 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.246 1111 G C 0.100 175.023 174.900 0.038 0.000 0.990 1111 G CA -0.085 45.047 45.100 0.055 0.000 0.627 1111 G HN 0.555 nan 8.290 nan 0.000 0.522 1112 Q N 0.617 120.439 119.800 0.036 0.000 2.317 1112 Q HA 0.615 4.955 4.340 -0.000 0.000 0.229 1112 Q C 0.105 176.119 176.000 0.023 0.000 0.984 1112 Q CA -0.003 55.813 55.803 0.021 0.000 0.911 1112 Q CB 1.074 29.820 28.738 0.014 0.000 1.217 1112 Q HN 0.321 nan 8.270 nan 0.000 0.501 1113 S N 0.771 116.475 115.700 0.007 0.000 2.646 1113 S HA 0.515 4.984 4.470 -0.000 0.000 0.276 1113 S C -0.848 173.735 174.600 -0.029 0.000 1.222 1113 S CA -0.690 57.509 58.200 -0.000 0.000 1.014 1113 S CB 0.767 63.963 63.200 -0.006 0.000 0.991 1113 S HN 0.402 nan 8.310 nan 0.000 0.533 1114 L N 1.943 123.135 121.223 -0.052 0.000 2.385 1114 L HA 0.621 4.961 4.340 -0.000 0.000 0.273 1114 L C -0.887 175.908 176.870 -0.124 0.000 0.990 1114 L CA 0.141 54.902 54.840 -0.130 0.000 0.821 1114 L CB 1.939 43.844 42.059 -0.257 0.000 1.279 1114 L HN 0.624 nan 8.230 nan 0.000 0.412 1115 T N 6.078 120.558 114.554 -0.123 0.000 2.812 1115 T HA 0.601 4.951 4.350 -0.000 0.000 0.282 1115 T C -0.561 174.067 174.700 -0.121 0.000 0.990 1115 T CA -0.333 61.708 62.100 -0.098 0.000 0.960 1115 T CB 0.990 69.820 68.868 -0.064 0.000 0.948 1115 T HN 0.447 nan 8.240 nan 0.000 0.438 1116 L N 2.907 124.060 121.223 -0.116 0.000 2.317 1116 L HA 0.601 4.941 4.340 -0.000 0.000 0.281 1116 L C 0.158 176.972 176.870 -0.092 0.000 1.024 1116 L CA -0.794 53.973 54.840 -0.122 0.000 0.810 1116 L CB 1.594 43.574 42.059 -0.132 0.000 1.240 1116 L HN 0.554 nan 8.230 nan 0.000 0.427 1117 T N 3.705 118.202 114.554 -0.096 0.000 2.786 1117 T HA 0.386 4.736 4.350 -0.000 0.000 0.283 1117 T C -0.492 174.152 174.700 -0.094 0.000 0.992 1117 T CA -0.398 61.657 62.100 -0.075 0.000 0.954 1117 T CB 1.564 70.399 68.868 -0.055 0.000 0.934 1117 T HN 0.243 nan 8.240 nan 0.000 0.440 1118 L N 3.647 124.822 121.223 -0.079 0.000 2.281 1118 L HA 0.417 4.756 4.340 -0.000 0.000 0.285 1118 L C 0.318 177.190 176.870 0.003 0.000 1.074 1118 L CA -0.088 54.708 54.840 -0.074 0.000 0.817 1118 L CB 0.482 42.505 42.059 -0.060 0.000 1.168 1118 L HN 0.616 nan 8.230 nan 0.000 0.434 1119 E N 3.369 123.579 120.200 0.017 0.000 2.200 1119 E HA 0.525 4.875 4.350 -0.000 0.000 0.283 1119 E C -1.070 175.597 176.600 0.113 0.000 1.015 1119 E CA -0.332 56.096 56.400 0.046 0.000 0.819 1119 E CB 0.772 30.483 29.700 0.020 0.000 1.081 1119 E HN 0.772 nan 8.360 nan 0.000 0.397 1120 S N 3.815 119.565 115.700 0.083 0.000 2.588 1120 S HA 0.647 5.117 4.470 -0.000 0.000 0.275 1120 S C -2.735 171.834 174.600 -0.052 0.000 1.130 1120 S CA -1.470 56.759 58.200 0.048 0.000 0.855 1120 S CB 1.767 65.138 63.200 0.285 0.000 1.116 1120 S HN 0.355 nan 8.310 nan 0.000 0.472 1121 P HA 0.460 nan 4.420 nan 0.000 0.276 1121 P C -2.856 174.419 177.300 -0.041 0.000 1.244 1121 P CA -1.497 61.538 63.100 -0.108 0.000 0.801 1121 P CB -1.029 30.572 31.700 -0.166 0.000 1.006 1122 P HA 0.129 nan 4.420 nan 0.000 0.268 1122 P C 1.026 178.327 177.300 0.002 0.000 1.205 1122 P CA 1.032 64.130 63.100 -0.004 0.000 0.771 1122 P CB -0.075 31.621 31.700 -0.007 0.000 0.858 1123 G N 1.242 110.052 108.800 0.017 0.000 2.217 1123 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.246 1123 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.246 1123 G C 0.300 175.227 174.900 0.044 0.000 0.990 1123 G CA 0.279 45.393 45.100 0.024 0.000 0.627 1123 G HN 0.870 nan 8.290 nan 0.000 0.522 1124 S N -0.925 114.813 115.700 0.062 0.000 2.617 1124 S HA 0.763 5.233 4.470 -0.000 0.000 0.283 1124 S C -0.100 174.575 174.600 0.125 0.000 1.189 1124 S CA 0.439 58.709 58.200 0.117 0.000 1.036 1124 S CB 2.246 65.554 63.200 0.180 0.000 1.014 1124 S HN 1.288 nan 8.310 nan 0.000 0.522 1125 S N 2.946 118.721 115.700 0.126 0.000 2.496 1125 S HA 0.497 4.967 4.470 -0.000 0.000 0.221 1125 S C -2.763 171.884 174.600 0.079 0.000 1.260 1125 S CA -1.069 57.188 58.200 0.094 0.000 1.181 1125 S CB 0.339 63.575 63.200 0.059 0.000 1.136 1125 S HN 0.757 nan 8.310 nan 0.000 0.467 1126 P HA 0.481 nan 4.420 nan 0.000 0.278 1126 P C -0.767 176.507 177.300 -0.042 0.000 1.258 1126 P CA -0.525 62.555 63.100 -0.033 0.000 0.811 1126 P CB 1.112 32.684 31.700 -0.212 0.000 1.063 1127 S N -0.143 115.521 115.700 -0.060 0.000 2.475 1127 S HA 0.483 4.953 4.470 -0.000 0.000 0.298 1127 S C -0.270 174.292 174.600 -0.062 0.000 1.119 1127 S CA -0.574 57.600 58.200 -0.042 0.000 1.085 1127 S CB 0.942 64.129 63.200 -0.022 0.000 1.028 1127 S HN 0.209 nan 8.310 nan 0.000 0.489 1128 V N 3.301 123.188 119.914 -0.045 0.000 2.555 1128 V HA 0.557 4.677 4.120 -0.000 0.000 0.302 1128 V C -0.282 175.810 176.094 -0.004 0.000 1.038 1128 V CA -0.690 61.587 62.300 -0.038 0.000 0.887 1128 V CB 1.639 33.429 31.823 -0.054 0.000 0.991 1128 V HN 0.844 nan 8.190 nan 0.000 0.434 1129 Q N 2.472 122.281 119.800 0.015 0.000 2.323 1129 Q HA 0.645 4.985 4.340 -0.000 0.000 0.271 1129 Q C -1.642 174.397 176.000 0.064 0.000 1.048 1129 Q CA -0.314 55.510 55.803 0.034 0.000 0.792 1129 Q CB 2.256 31.008 28.738 0.023 0.000 1.280 1129 Q HN 0.867 nan 8.270 nan 0.000 0.441 1130 c N 3.390 122.046 118.600 0.095 0.000 2.712 1130 c HA 0.773 5.343 4.570 -0.000 0.000 0.308 1130 c C -1.259 172.909 174.090 0.129 0.000 1.201 1130 c CA -0.424 55.999 56.329 0.158 0.000 1.554 1130 c CB 1.712 44.369 42.510 0.245 0.000 2.117 1130 c HN 1.025 nan 8.230 nan 0.000 0.480 1131 R N 2.806 123.349 120.500 0.072 0.000 2.575 1131 R HA 0.594 4.934 4.340 -0.000 0.000 0.293 1131 R C -0.236 175.827 176.300 -0.396 0.000 0.983 1131 R CA -0.024 55.997 56.100 -0.131 0.000 0.887 1131 R CB 1.896 32.141 30.300 -0.093 0.000 1.184 1131 R HN 0.942 nan 8.270 nan 0.000 0.445 1132 S N 3.581 118.749 115.700 -0.887 0.000 2.669 1132 S HA 0.369 4.839 4.470 -0.000 0.000 0.270 1132 S C -1.789 172.417 174.600 -0.658 0.000 1.225 1132 S CA -1.136 56.194 58.200 -1.450 0.000 0.991 1132 S CB 1.424 63.434 63.200 -1.983 0.000 0.987 1132 S HN 0.501 nan 8.310 nan 0.000 0.552 1133 P HA -0.156 nan 4.420 nan 0.000 0.217 1133 P C 1.355 178.538 177.300 -0.194 0.000 1.148 1133 P CA 1.425 64.383 63.100 -0.236 0.000 0.828 1133 P CB -0.118 31.499 31.700 -0.139 0.000 0.783 1134 R N -1.316 119.050 120.500 -0.224 0.000 2.275 1134 R HA 0.191 4.530 4.340 -0.000 0.000 0.199 1134 R C 1.281 177.492 176.300 -0.148 0.000 0.989 1134 R CA 1.139 57.148 56.100 -0.151 0.000 1.016 1134 R CB -0.786 29.442 30.300 -0.120 0.000 0.918 1134 R HN 0.169 nan 8.270 nan 0.000 0.473 1135 G N 1.301 109.981 108.800 -0.200 0.000 2.179 1135 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.220 1135 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.220 1135 G C -0.197 174.606 174.900 -0.162 0.000 0.990 1135 G CA -0.026 44.980 45.100 -0.157 0.000 0.646 1135 G HN 0.375 nan 8.290 nan 0.000 0.517 1136 K N 1.472 121.740 120.400 -0.220 0.000 2.419 1136 K HA 0.329 4.649 4.320 -0.000 0.000 0.282 1136 K C 0.115 176.621 176.600 -0.157 0.000 1.056 1136 K CA 0.214 56.397 56.287 -0.174 0.000 1.035 1136 K CB -0.411 31.976 32.500 -0.188 0.000 0.921 1136 K HN 0.456 nan 8.250 nan 0.000 0.472 1137 N N 4.389 123.051 118.700 -0.063 0.000 2.400 1137 N HA 0.402 5.141 4.740 -0.000 0.000 0.288 1137 N C -1.192 174.337 175.510 0.030 0.000 1.024 1137 N CA -0.741 52.297 53.050 -0.020 0.000 0.894 1137 N CB 1.110 39.586 38.487 -0.018 0.000 1.173 1137 N HN 0.404 nan 8.380 nan 0.000 0.487 1138 I N 1.758 122.369 120.570 0.069 0.000 2.619 1138 I HA 0.311 4.481 4.170 -0.000 0.000 0.292 1138 I C -1.286 174.868 176.117 0.063 0.000 1.100 1138 I CA -0.464 60.885 61.300 0.081 0.000 1.043 1138 I CB 1.820 39.899 38.000 0.133 0.000 1.239 1138 I HN 0.626 nan 8.210 nan 0.000 0.420 1139 Q N 4.327 124.151 119.800 0.041 0.000 2.413 1139 Q HA 0.825 5.165 4.340 -0.000 0.000 0.276 1139 Q C -0.503 175.508 176.000 0.018 0.000 1.099 1139 Q CA -0.911 54.907 55.803 0.026 0.000 0.814 1139 Q CB 3.151 31.900 28.738 0.017 0.000 1.379 1139 Q HN 0.888 nan 8.270 nan 0.000 0.436 1140 G N -0.567 108.239 108.800 0.008 0.000 2.427 1140 G HA2 0.491 4.451 3.960 -0.000 0.000 0.306 1140 G HA3 0.491 4.451 3.960 -0.000 0.000 0.306 1140 G C -0.531 174.366 174.900 -0.004 0.000 1.280 1140 G CA -0.062 45.040 45.100 0.003 0.000 0.837 1140 G HN 0.632 nan 8.290 nan 0.000 0.482 1141 G N -0.450 108.349 108.800 -0.003 0.000 2.756 1141 G HA2 0.353 4.313 3.960 -0.000 0.000 0.203 1141 G HA3 0.353 4.313 3.960 -0.000 0.000 0.203 1141 G C 1.283 176.178 174.900 -0.007 0.000 2.015 1141 G CA 1.103 46.202 45.100 -0.002 0.000 0.835 1141 G HN 0.708 nan 8.290 nan 0.000 0.648 1142 K N -0.528 119.872 120.400 0.001 0.000 2.116 1142 K HA 0.094 4.413 4.320 -0.000 0.000 0.203 1142 K C 0.824 177.414 176.600 -0.017 0.000 1.052 1142 K CA 1.104 57.392 56.287 0.001 0.000 0.952 1142 K CB -0.170 32.337 32.500 0.011 0.000 0.729 1142 K HN 0.378 nan 8.250 nan 0.000 0.446 1143 T N -0.183 114.362 114.554 -0.015 0.000 2.824 1143 T HA 0.585 4.935 4.350 -0.000 0.000 0.282 1143 T C -1.408 173.281 174.700 -0.018 0.000 0.993 1143 T CA -0.940 61.147 62.100 -0.023 0.000 0.967 1143 T CB 0.697 69.554 68.868 -0.019 0.000 0.960 1143 T HN -0.046 nan 8.240 nan 0.000 0.441 1144 L N 3.797 125.005 121.223 -0.024 0.000 2.349 1144 L HA 0.710 5.050 4.340 -0.000 0.000 0.278 1144 L C 0.023 176.885 176.870 -0.014 0.000 0.996 1144 L CA -0.518 54.317 54.840 -0.008 0.000 0.825 1144 L CB 2.086 44.147 42.059 0.004 0.000 1.243 1144 L HN 0.660 nan 8.230 nan 0.000 0.412 1145 S N 2.210 117.911 115.700 0.003 0.000 2.561 1145 S HA 0.757 5.227 4.470 -0.000 0.000 0.303 1145 S C -0.801 173.816 174.600 0.028 0.000 1.110 1145 S CA -0.508 57.691 58.200 -0.002 0.000 1.034 1145 S CB 1.278 64.474 63.200 -0.007 0.000 1.010 1145 S HN 0.267 nan 8.310 nan 0.000 0.482 1146 V N 4.808 124.744 119.914 0.036 0.000 2.407 1146 V HA 0.332 4.452 4.120 -0.000 0.000 0.278 1146 V C 1.429 177.554 176.094 0.051 0.000 1.037 1146 V CA -0.170 62.178 62.300 0.079 0.000 0.900 1146 V CB 1.327 33.249 31.823 0.166 0.000 0.983 1146 V HN 1.002 nan 8.190 nan 0.000 0.459 1147 S N 3.472 119.202 115.700 0.050 0.000 2.355 1147 S HA -0.022 4.448 4.470 -0.000 0.000 0.222 1147 S C 0.749 175.373 174.600 0.040 0.000 1.031 1147 S CA 1.256 59.478 58.200 0.035 0.000 0.993 1147 S CB 0.049 63.268 63.200 0.032 0.000 0.859 1147 S HN 0.808 nan 8.310 nan 0.000 0.453 1148 Q N 0.851 120.685 119.800 0.057 0.000 2.274 1148 Q HA 0.364 4.703 4.340 -0.000 0.000 0.268 1148 Q C -1.853 174.200 176.000 0.089 0.000 1.015 1148 Q CA -0.693 55.146 55.803 0.061 0.000 0.775 1148 Q CB 1.768 30.538 28.738 0.052 0.000 1.256 1148 Q HN 0.192 nan 8.270 nan 0.000 0.442 1149 L N 2.760 124.042 121.223 0.098 0.000 2.397 1149 L HA 0.200 4.540 4.340 -0.000 0.000 0.271 1149 L C 0.449 177.388 176.870 0.115 0.000 1.148 1149 L CA 0.574 55.494 54.840 0.135 0.000 0.825 1149 L CB 0.535 42.671 42.059 0.129 0.000 1.117 1149 L HN 0.512 nan 8.230 nan 0.000 0.456 1150 E N 1.963 122.233 120.200 0.117 0.000 2.227 1150 E HA 0.110 4.460 4.350 -0.000 0.000 0.268 1150 E C 0.808 177.461 176.600 0.089 0.000 0.990 1150 E CA -0.787 55.665 56.400 0.086 0.000 0.856 1150 E CB 1.470 31.202 29.700 0.053 0.000 1.159 1150 E HN 0.414 nan 8.360 nan 0.000 0.401 1151 L N 2.197 123.462 121.223 0.070 0.000 2.043 1151 L HA -0.262 4.077 4.340 -0.000 0.000 0.212 1151 L C 1.669 178.565 176.870 0.044 0.000 1.075 1151 L CA 2.091 56.965 54.840 0.056 0.000 0.752 1151 L CB -0.410 41.661 42.059 0.020 0.000 0.891 1151 L HN 0.418 nan 8.230 nan 0.000 0.432 1152 Q N -0.430 119.385 119.800 0.024 0.000 2.500 1152 Q HA -0.113 4.227 4.340 -0.000 0.000 0.213 1152 Q C 1.439 177.438 176.000 -0.001 0.000 0.974 1152 Q CA 1.011 56.815 55.803 0.001 0.000 0.918 1152 Q CB -0.295 28.431 28.738 -0.020 0.000 0.980 1152 Q HN 0.550 nan 8.270 nan 0.000 0.505 1153 D N -0.803 119.630 120.400 0.055 0.000 2.349 1153 D HA 0.004 4.643 4.640 -0.000 0.000 0.215 1153 D C -0.007 176.441 176.300 0.247 0.000 1.016 1153 D CA 0.230 54.297 54.000 0.112 0.000 0.870 1153 D CB 0.146 41.125 40.800 0.298 0.000 0.917 1153 D HN 0.030 nan 8.370 nan 0.000 0.524 1154 S N -0.174 115.622 115.700 0.160 0.000 2.516 1154 S HA 0.452 4.921 4.470 -0.000 0.000 0.282 1154 S C 0.517 175.197 174.600 0.133 0.000 1.286 1154 S CA 0.456 58.749 58.200 0.156 0.000 1.066 1154 S CB 0.433 63.680 63.200 0.078 0.000 0.884 1154 S HN 0.444 nan 8.310 nan 0.000 0.491 1155 G N 3.329 112.238 108.800 0.180 0.000 2.260 1155 G HA2 0.016 3.976 3.960 -0.000 0.000 0.250 1155 G HA3 0.016 3.976 3.960 -0.000 0.000 0.250 1155 G C -0.869 174.176 174.900 0.241 0.000 1.340 1155 G CA -0.500 44.686 45.100 0.145 0.000 1.056 1155 G HN 0.713 nan 8.290 nan 0.000 0.471 1156 T N 1.391 116.050 114.554 0.175 0.000 2.728 1156 T HA 0.500 4.850 4.350 -0.000 0.000 0.296 1156 T C -0.676 174.175 174.700 0.252 0.000 0.940 1156 T CA 0.211 62.438 62.100 0.211 0.000 1.013 1156 T CB 0.366 69.304 68.868 0.118 0.000 0.912 1156 T HN 0.418 nan 8.240 nan 0.000 0.484 1157 W N 2.255 123.573 121.300 0.029 0.000 2.381 1157 W HA 0.453 5.113 4.660 -0.000 0.000 0.329 1157 W C 0.432 176.976 176.519 0.042 0.000 1.157 1157 W CA -0.653 56.710 57.345 0.030 0.000 1.240 1157 W CB 0.582 30.058 29.460 0.027 0.000 1.199 1157 W HN 0.358 nan 8.180 nan 0.000 0.579 1158 T N 2.906 117.596 114.554 0.226 0.000 2.815 1158 T HA 0.433 4.782 4.350 -0.000 0.000 0.289 1158 T C -0.967 173.835 174.700 0.170 0.000 1.000 1158 T CA -0.527 61.671 62.100 0.163 0.000 0.958 1158 T CB 0.141 69.058 68.868 0.082 0.000 0.944 1158 T HN 0.325 nan 8.240 nan 0.000 0.442 1159 c N 3.297 122.018 118.600 0.203 0.000 2.345 1159 c HA 0.723 5.293 4.570 -0.000 0.000 0.323 1159 c C 0.632 174.840 174.090 0.197 0.000 1.276 1159 c CA -1.000 55.438 56.329 0.181 0.000 1.543 1159 c CB 0.558 43.161 42.510 0.154 0.000 2.211 1159 c HN 0.821 nan 8.230 nan 0.000 0.493 1160 T N 2.508 117.135 114.554 0.121 0.000 2.771 1160 T HA 0.492 4.842 4.350 -0.000 0.000 0.281 1160 T C -0.102 174.631 174.700 0.055 0.000 0.982 1160 T CA -0.318 61.839 62.100 0.094 0.000 0.978 1160 T CB 1.151 70.046 68.868 0.046 0.000 0.930 1160 T HN 0.475 nan 8.240 nan 0.000 0.447 1161 V N 4.766 124.710 119.914 0.049 0.000 2.394 1161 V HA 0.426 4.546 4.120 -0.000 0.000 0.282 1161 V C -0.059 175.962 176.094 -0.123 0.000 1.031 1161 V CA -0.823 61.421 62.300 -0.092 0.000 0.881 1161 V CB 1.445 33.138 31.823 -0.216 0.000 0.982 1161 V HN 0.745 nan 8.190 nan 0.000 0.451 1162 L N 4.770 125.920 121.223 -0.120 0.000 2.287 1162 L HA 0.697 5.037 4.340 -0.000 0.000 0.287 1162 L C -0.534 176.290 176.870 -0.078 0.000 1.022 1162 L CA -0.239 54.558 54.840 -0.071 0.000 0.814 1162 L CB 1.569 43.608 42.059 -0.033 0.000 1.217 1162 L HN 0.807 nan 8.230 nan 0.000 0.420 1163 Q N 3.806 123.589 119.800 -0.029 0.000 2.268 1163 Q HA 0.306 4.646 4.340 -0.000 0.000 0.266 1163 Q C -0.534 175.510 176.000 0.073 0.000 1.006 1163 Q CA -0.391 55.435 55.803 0.040 0.000 0.824 1163 Q CB 1.495 30.303 28.738 0.116 0.000 1.306 1163 Q HN 0.620 nan 8.270 nan 0.000 0.424 1164 N N 3.905 122.647 118.700 0.070 0.000 2.727 1164 N HA -0.265 4.475 4.740 -0.000 0.000 0.249 1164 N C -0.614 174.926 175.510 0.050 0.000 1.048 1164 N CA 1.008 54.097 53.050 0.065 0.000 0.714 1164 N CB -0.336 38.201 38.487 0.083 0.000 0.959 1164 N HN 0.777 nan 8.380 nan 0.000 0.544 1165 Q N -4.349 115.473 119.800 0.037 0.000 2.258 1165 Q HA -0.246 4.094 4.340 -0.000 0.000 0.167 1165 Q C -0.297 175.719 176.000 0.028 0.000 0.586 1165 Q CA 1.690 57.510 55.803 0.029 0.000 1.398 1165 Q CB -0.793 27.963 28.738 0.029 0.000 1.415 1165 Q HN 0.582 nan 8.270 nan 0.000 0.903 1166 K N 1.919 122.342 120.400 0.037 0.000 2.095 1166 K HA 0.549 4.869 4.320 -0.000 0.000 0.252 1166 K C 0.527 177.141 176.600 0.024 0.000 0.977 1166 K CA -0.307 56.003 56.287 0.037 0.000 0.900 1166 K CB 1.553 34.088 32.500 0.058 0.000 1.060 1166 K HN 0.234 nan 8.250 nan 0.000 0.449 1167 K N -1.137 119.273 120.400 0.017 0.000 2.477 1167 K HA 0.621 4.941 4.320 -0.000 0.000 0.255 1167 K C -1.355 175.245 176.600 -0.000 0.000 0.952 1167 K CA -0.969 55.319 56.287 0.002 0.000 0.826 1167 K CB 2.147 34.646 32.500 -0.002 0.000 1.331 1167 K HN 0.257 nan 8.250 nan 0.000 0.437 1168 V N 0.592 120.500 119.914 -0.009 0.000 2.876 1168 V HA 0.419 4.539 4.120 -0.000 0.000 0.312 1168 V C -1.480 174.570 176.094 -0.072 0.000 1.085 1168 V CA -0.574 61.693 62.300 -0.055 0.000 0.945 1168 V CB 1.998 33.789 31.823 -0.052 0.000 1.017 1168 V HN 0.977 nan 8.190 nan 0.000 0.428 1169 E N 3.648 123.744 120.200 -0.174 0.000 2.187 1169 E HA 0.531 4.881 4.350 -0.000 0.000 0.268 1169 E C -1.894 174.558 176.600 -0.247 0.000 0.896 1169 E CA -0.529 55.814 56.400 -0.094 0.000 0.766 1169 E CB 1.573 31.248 29.700 -0.041 0.000 1.142 1169 E HN 0.565 nan 8.360 nan 0.000 0.408 1170 F N 2.657 122.626 119.950 0.032 0.000 2.495 1170 F HA 0.429 4.956 4.527 -0.000 0.000 0.327 1170 F C 0.243 176.076 175.800 0.056 0.000 1.103 1170 F CA -0.833 57.193 58.000 0.042 0.000 0.949 1170 F CB 1.663 40.687 39.000 0.041 0.000 1.142 1170 F HN 0.114 nan 8.300 nan 0.000 0.457 1171 K N 4.611 125.137 120.400 0.209 0.000 2.307 1171 K HA 0.658 4.978 4.320 -0.000 0.000 0.263 1171 K C -1.116 175.583 176.600 0.165 0.000 0.973 1171 K CA -0.445 55.943 56.287 0.168 0.000 0.846 1171 K CB 1.945 34.509 32.500 0.106 0.000 1.100 1171 K HN 0.552 nan 8.250 nan 0.000 0.438 1172 I N 2.631 123.304 120.570 0.172 0.000 2.447 1172 I HA 0.171 4.341 4.170 -0.000 0.000 0.287 1172 I C -0.788 175.401 176.117 0.120 0.000 1.023 1172 I CA -0.939 60.427 61.300 0.111 0.000 1.083 1172 I CB 1.936 39.960 38.000 0.040 0.000 1.245 1172 I HN 0.415 nan 8.210 nan 0.000 0.434 1173 D N 7.215 127.667 120.400 0.088 0.000 2.295 1173 D HA 0.405 5.044 4.640 -0.000 0.000 0.248 1173 D C -0.294 176.041 176.300 0.059 0.000 1.154 1173 D CA 0.008 54.069 54.000 0.102 0.000 0.857 1173 D CB 1.743 42.594 40.800 0.084 0.000 1.117 1173 D HN 0.123 nan 8.370 nan 0.000 0.468 1174 I N 2.251 122.877 120.570 0.093 0.000 2.433 1174 I HA 0.264 4.434 4.170 -0.000 0.000 0.292 1174 I C -0.042 176.132 176.117 0.095 0.000 1.001 1174 I CA -0.901 60.419 61.300 0.034 0.000 1.119 1174 I CB 1.789 39.738 38.000 -0.084 0.000 1.289 1174 I HN -0.013 nan 8.210 nan 0.000 0.438 1175 V N 6.801 126.760 119.914 0.075 0.000 2.370 1175 V HA 0.429 4.549 4.120 -0.000 0.000 0.283 1175 V C -0.001 176.123 176.094 0.050 0.000 1.023 1175 V CA -0.657 61.661 62.300 0.030 0.000 0.857 1175 V CB 2.056 33.825 31.823 -0.090 0.000 0.985 1175 V HN 0.435 nan 8.190 nan 0.000 0.443 1176 V N 6.476 126.422 119.914 0.053 0.000 2.417 1176 V HA 0.452 4.572 4.120 -0.000 0.000 0.291 1176 V C -0.002 176.123 176.094 0.052 0.000 1.024 1176 V CA -0.623 61.721 62.300 0.074 0.000 0.861 1176 V CB 1.714 33.601 31.823 0.107 0.000 0.985 1176 V HN 0.630 nan 8.190 nan 0.000 0.436 1177 L N 4.071 125.338 121.223 0.073 0.000 2.349 1177 L HA 0.617 4.957 4.340 -0.000 0.000 0.275 1177 L C 0.819 177.773 176.870 0.139 0.000 1.115 1177 L CA -0.012 54.875 54.840 0.078 0.000 0.820 1177 L CB 1.144 43.261 42.059 0.096 0.000 1.135 1177 L HN 0.798 nan 8.230 nan 0.000 0.445 1178 A N 3.549 126.428 122.820 0.098 0.000 2.271 1178 A HA 0.770 5.090 4.320 -0.000 0.000 0.288 1178 A C -0.682 177.017 177.584 0.192 0.000 1.094 1178 A CA -0.239 51.845 52.037 0.079 0.000 0.828 1178 A CB 0.629 19.621 19.000 -0.013 0.000 1.091 1178 A HN 0.619 nan 8.150 nan 0.000 0.493 1179 F N -1.528 118.426 119.950 0.006 0.000 2.645 1179 F HA 0.583 5.109 4.527 -0.000 0.000 0.310 1179 F C -0.662 175.141 175.800 0.006 0.000 1.102 1179 F CA -0.998 57.007 58.000 0.007 0.000 0.952 1179 F CB 1.611 40.617 39.000 0.010 0.000 1.326 1179 F HN 0.521 nan 8.300 nan 0.000 0.456 1180 Q N 3.129 123.013 119.800 0.140 0.000 2.303 1180 Q HA 0.344 4.683 4.340 -0.000 0.000 0.257 1180 Q C -1.173 174.926 176.000 0.164 0.000 0.941 1180 Q CA -0.558 55.273 55.803 0.045 0.000 0.931 1180 Q CB 1.596 30.363 28.738 0.048 0.000 1.215 1180 Q HN 0.861 nan 8.270 nan 0.000 0.437 1181 K N 0.000 120.443 120.400 0.071 0.000 2.780 1181 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1181 K CA 0.000 56.383 56.287 0.159 0.000 0.838 1181 K CB 0.000 32.597 32.500 0.162 0.000 1.064 1181 K HN 0.000 nan 8.250 nan 0.000 0.543