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 1a4l_1_C DATA FIRST_RESID 1004 DATA SEQUENCE TPAFNKPKVE LHVHLDGAIK PETILYFGKK RGIALPADTV EELRNIIGMD DATA SEQUENCE KPLSLPGFLA KFDYYMPVIA GCREAIKRIA YEFVEMKAKE GVVYVEVRYS DATA SEQUENCE PHLLANSKVD PMPWNQTEGD VTPDDVVDLV NQGLQEGEQA FGIKVRSILC DATA SEQUENCE CMRHQPSWSL EVLELCKKYN QKTVVAMDLA GDETIEGSSL FPGHVEAYEG DATA SEQUENCE AVKNGIHRTV HAGEVGSPEV VREAVDILKT ERVGHGYHTI EDEALYNRLL DATA SEQUENCE KENMHFEVCP WSSYLTGAWD PKTTHAVVRF KNDKANYSLN TDDPLIFKST DATA SEQUENCE LDTDYQMTKK DMGFTEEEFK RLNINAAKSS FLPEEEKKEL LERLYREYQ 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 1004 T HA 0.000 nan 4.350 nan 0.000 0.228 1004 T C 0.000 174.680 174.700 -0.033 0.000 1.109 1004 T CA 0.000 62.082 62.100 -0.030 0.000 1.349 1004 T CB 0.000 68.858 68.868 -0.017 0.000 0.612 1005 P HA 0.402 nan 4.420 nan 0.000 0.269 1005 P C 0.798 178.086 177.300 -0.021 0.000 1.215 1005 P CA -0.421 62.642 63.100 -0.060 0.000 0.780 1005 P CB 0.741 32.380 31.700 -0.101 0.000 0.898 1006 A N 2.200 125.022 122.820 0.003 0.000 1.898 1006 A HA -0.075 4.245 4.320 -0.000 0.000 0.216 1006 A C 0.800 178.502 177.584 0.196 0.000 1.181 1006 A CA 1.056 53.156 52.037 0.106 0.000 0.620 1006 A CB -0.649 18.428 19.000 0.129 0.000 0.819 1006 A HN 0.528 nan 8.150 nan 0.000 0.442 1007 F N 0.442 120.297 119.950 -0.158 0.000 2.691 1007 F HA 0.408 4.935 4.527 -0.000 0.000 0.371 1007 F C -0.316 175.372 175.800 -0.188 0.000 1.159 1007 F CA -1.790 56.114 58.000 -0.162 0.000 1.174 1007 F CB 0.649 39.435 39.000 -0.358 0.000 1.419 1007 F HN 0.068 nan 8.300 nan 0.000 0.514 1008 N N 5.162 123.638 118.700 -0.373 0.000 3.303 1008 N HA 0.187 4.926 4.740 -0.000 0.000 0.304 1008 N C -0.953 174.266 175.510 -0.486 0.000 1.302 1008 N CA 0.354 53.197 53.050 -0.345 0.000 1.213 1008 N CB -0.145 38.224 38.487 -0.196 0.000 1.481 1008 N HN 0.579 nan 8.380 nan 0.000 0.546 1009 K N 0.224 120.178 120.400 -0.743 0.000 2.548 1009 K HA 0.435 4.755 4.320 -0.000 0.000 0.282 1009 K C -2.849 173.607 176.600 -0.239 0.000 1.006 1009 K CA -1.986 53.952 56.287 -0.581 0.000 0.892 1009 K CB 1.698 33.632 32.500 -0.943 0.000 1.499 1009 K HN -0.008 nan 8.250 nan 0.000 0.433 1010 P HA -0.040 nan 4.420 nan 0.000 0.264 1010 P C -1.248 176.217 177.300 0.274 0.000 1.179 1010 P CA 0.548 63.697 63.100 0.082 0.000 0.763 1010 P CB 0.407 32.068 31.700 -0.064 0.000 0.806 1011 K N 0.998 121.494 120.400 0.160 0.000 2.443 1011 K HA 0.665 4.984 4.320 -0.000 0.000 0.251 1011 K C -1.317 175.378 176.600 0.159 0.000 0.972 1011 K CA -1.031 55.383 56.287 0.211 0.000 0.833 1011 K CB 2.137 34.692 32.500 0.091 0.000 1.317 1011 K HN 0.023 nan 8.250 nan 0.000 0.441 1012 V N 1.216 121.247 119.914 0.194 0.000 2.540 1012 V HA 0.336 4.456 4.120 -0.000 0.000 0.302 1012 V C -0.838 175.350 176.094 0.158 0.000 1.035 1012 V CA -0.683 61.725 62.300 0.179 0.000 0.873 1012 V CB 1.566 33.513 31.823 0.205 0.000 0.992 1012 V HN 0.769 nan 8.190 nan 0.000 0.428 1013 E N 3.165 123.423 120.200 0.096 0.000 2.185 1013 E HA 0.457 4.807 4.350 -0.000 0.000 0.261 1013 E C -0.597 176.039 176.600 0.059 0.000 0.879 1013 E CA -0.620 55.849 56.400 0.114 0.000 0.756 1013 E CB 1.654 31.432 29.700 0.129 0.000 1.152 1013 E HN 0.507 nan 8.360 nan 0.000 0.416 1014 L N 2.996 124.281 121.223 0.102 0.000 2.556 1014 L HA 0.205 4.545 4.340 -0.000 0.000 0.226 1014 L C 0.326 177.277 176.870 0.135 0.000 1.089 1014 L CA 0.500 55.373 54.840 0.056 0.000 0.864 1014 L CB -0.110 41.948 42.059 -0.002 0.000 1.067 1014 L HN 0.578 nan 8.230 nan 0.000 0.477 1015 H N -0.471 118.656 119.070 0.096 0.000 2.675 1015 H HA 0.631 5.187 4.556 -0.000 0.000 0.258 1015 H C -1.433 174.026 175.328 0.218 0.000 1.271 1015 H CA -0.291 55.828 56.048 0.117 0.000 1.462 1015 H CB 0.975 30.777 29.762 0.066 0.000 1.467 1015 H HN -0.191 nan 8.280 nan 0.000 0.501 1016 V N 5.307 125.329 119.914 0.180 0.000 2.733 1016 V HA 0.279 4.399 4.120 -0.000 0.000 0.306 1016 V C -1.207 174.992 176.094 0.176 0.000 1.084 1016 V CA -0.581 61.907 62.300 0.312 0.000 0.905 1016 V CB 1.798 33.851 31.823 0.383 0.000 1.010 1016 V HN 0.799 nan 8.190 nan 0.000 0.424 1017 H N 6.215 125.427 119.070 0.236 0.000 2.604 1017 H HA 0.216 4.771 4.556 -0.000 0.000 0.306 1017 H C 0.650 176.071 175.328 0.154 0.000 1.075 1017 H CA -0.158 56.025 56.048 0.226 0.000 1.357 1017 H CB 2.258 32.254 29.762 0.390 0.000 1.426 1017 H HN 0.688 nan 8.280 nan 0.000 0.470 1018 L N 3.902 125.153 121.223 0.047 0.000 2.017 1018 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 1018 L C 1.678 178.629 176.870 0.136 0.000 1.073 1018 L CA 1.930 56.711 54.840 -0.098 0.000 0.745 1018 L CB -0.382 41.526 42.059 -0.253 0.000 0.894 1018 L HN 0.691 nan 8.230 nan 0.000 0.432 1019 D N -1.530 119.044 120.400 0.290 0.000 2.363 1019 D HA 0.027 4.667 4.640 -0.000 0.000 0.226 1019 D C 1.561 178.196 176.300 0.557 0.000 1.020 1019 D CA 0.853 55.097 54.000 0.407 0.000 0.892 1019 D CB -0.576 40.480 40.800 0.427 0.000 0.900 1019 D HN 0.388 nan 8.370 nan 0.000 0.531 1020 G N -1.006 108.083 108.800 0.482 0.000 3.596 1020 G HA2 0.446 4.405 3.960 -0.000 0.000 0.274 1020 G HA3 0.446 4.405 3.960 -0.000 0.000 0.274 1020 G C 0.278 175.322 174.900 0.240 0.000 1.007 1020 G CA -0.084 45.222 45.100 0.342 0.000 0.825 1020 G HN 0.390 nan 8.290 nan 0.000 0.508 1021 A N 0.970 123.938 122.820 0.246 0.000 3.410 1021 A HA 0.692 5.012 4.320 -0.000 0.000 0.276 1021 A C -0.506 177.199 177.584 0.202 0.000 0.995 1021 A CA -0.325 51.864 52.037 0.253 0.000 0.934 1021 A CB -0.075 19.192 19.000 0.444 0.000 1.191 1021 A HN 0.184 nan 8.150 nan 0.000 0.511 1022 I N 0.565 121.180 120.570 0.076 0.000 2.603 1022 I HA 0.330 4.500 4.170 -0.000 0.000 0.300 1022 I C -0.026 176.086 176.117 -0.008 0.000 1.017 1022 I CA -1.025 60.303 61.300 0.047 0.000 1.098 1022 I CB 2.049 40.058 38.000 0.015 0.000 1.279 1022 I HN 0.193 nan 8.210 nan 0.000 0.437 1023 K N 4.954 125.371 120.400 0.028 0.000 2.412 1023 K HA 0.139 4.459 4.320 -0.000 0.000 0.281 1023 K C -1.839 174.752 176.600 -0.015 0.000 1.027 1023 K CA -1.236 55.056 56.287 0.008 0.000 0.989 1023 K CB 0.956 33.474 32.500 0.030 0.000 0.935 1023 K HN 0.240 nan 8.250 nan 0.000 0.475 1024 P HA -0.122 nan 4.420 nan 0.000 0.220 1024 P C 0.436 177.732 177.300 -0.006 0.000 1.148 1024 P CA 1.130 64.198 63.100 -0.053 0.000 0.803 1024 P CB 0.365 32.032 31.700 -0.054 0.000 0.782 1025 E N -1.369 118.835 120.200 0.007 0.000 2.150 1025 E HA -0.094 4.256 4.350 -0.000 0.000 0.193 1025 E C 1.835 178.472 176.600 0.062 0.000 0.985 1025 E CA 1.371 57.784 56.400 0.022 0.000 0.814 1025 E CB -1.189 28.512 29.700 0.002 0.000 0.752 1025 E HN 0.223 nan 8.360 nan 0.000 0.466 1026 T N 0.565 115.174 114.554 0.091 0.000 2.812 1026 T HA -0.004 4.345 4.350 -0.000 0.000 0.264 1026 T C 1.912 176.808 174.700 0.326 0.000 1.042 1026 T CA 0.691 62.911 62.100 0.201 0.000 1.140 1026 T CB -0.156 68.851 68.868 0.231 0.000 0.870 1026 T HN 0.085 nan 8.240 nan 0.000 0.445 1027 I N 0.694 121.386 120.570 0.203 0.000 2.226 1027 I HA -0.136 4.034 4.170 -0.000 0.000 0.245 1027 I C 2.140 178.359 176.117 0.169 0.000 1.100 1027 I CA 0.813 62.229 61.300 0.192 0.000 1.374 1027 I CB -0.303 37.728 38.000 0.053 0.000 1.057 1027 I HN 0.158 nan 8.210 nan 0.000 0.413 1028 L N -0.154 121.133 121.223 0.106 0.000 2.083 1028 L HA -0.239 4.101 4.340 -0.000 0.000 0.209 1028 L C 2.420 179.326 176.870 0.060 0.000 1.083 1028 L CA 1.811 56.691 54.840 0.067 0.000 0.752 1028 L CB -1.300 40.783 42.059 0.041 0.000 0.899 1028 L HN 0.249 nan 8.230 nan 0.000 0.433 1029 Y N -0.503 119.751 120.300 -0.076 0.000 2.097 1029 Y HA -0.306 4.244 4.550 -0.000 0.000 0.282 1029 Y C 2.342 178.067 175.900 -0.291 0.000 1.152 1029 Y CA 1.744 59.703 58.100 -0.236 0.000 1.136 1029 Y CB -0.597 37.619 38.460 -0.407 0.000 0.975 1029 Y HN 0.134 nan 8.280 nan 0.000 0.498 1030 F N 0.046 119.991 119.950 -0.008 0.000 2.365 1030 F HA 0.037 4.564 4.527 -0.000 0.000 0.300 1030 F C 2.516 178.262 175.800 -0.089 0.000 1.090 1030 F CA 1.084 59.026 58.000 -0.097 0.000 1.408 1030 F CB -1.040 37.984 39.000 0.040 0.000 1.060 1030 F HN 0.144 nan 8.300 nan 0.000 0.534 1031 G N 0.234 109.079 108.800 0.074 0.000 2.414 1031 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.215 1031 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.215 1031 G C 1.757 176.642 174.900 -0.025 0.000 1.188 1031 G CA 0.598 45.722 45.100 0.041 0.000 0.783 1031 G HN 0.240 nan 8.290 nan 0.000 0.537 1032 K N 0.354 120.704 120.400 -0.083 0.000 1.985 1032 K HA -0.055 4.265 4.320 -0.000 0.000 0.210 1032 K C 2.456 178.964 176.600 -0.154 0.000 1.047 1032 K CA 1.332 57.553 56.287 -0.109 0.000 0.932 1032 K CB -0.242 32.186 32.500 -0.120 0.000 0.716 1032 K HN 0.204 nan 8.250 nan 0.000 0.439 1033 K N 1.248 121.469 120.400 -0.299 0.000 2.089 1033 K HA -0.210 4.110 4.320 -0.000 0.000 0.210 1033 K C 2.002 178.527 176.600 -0.126 0.000 1.048 1033 K CA 1.690 57.795 56.287 -0.302 0.000 0.926 1033 K CB 0.059 32.206 32.500 -0.588 0.000 0.714 1033 K HN 0.108 nan 8.250 nan 0.000 0.448 1034 R N -1.567 118.898 120.500 -0.059 0.000 2.223 1034 R HA 0.093 4.433 4.340 -0.000 0.000 0.198 1034 R C 0.914 177.215 176.300 0.001 0.000 0.984 1034 R CA 0.592 56.694 56.100 0.004 0.000 1.018 1034 R CB 0.430 30.764 30.300 0.056 0.000 0.945 1034 R HN 0.401 nan 8.270 nan 0.000 0.479 1035 G N 1.913 110.706 108.800 -0.011 0.000 2.204 1035 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.244 1035 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.244 1035 G C -0.072 174.837 174.900 0.014 0.000 1.062 1035 G CA -0.251 44.847 45.100 -0.003 0.000 0.798 1035 G HN 0.186 nan 8.290 nan 0.000 0.496 1036 I N 0.384 120.967 120.570 0.023 0.000 2.525 1036 I HA 0.664 4.834 4.170 -0.000 0.000 0.301 1036 I C 0.774 176.913 176.117 0.037 0.000 0.992 1036 I CA -0.858 60.464 61.300 0.037 0.000 1.162 1036 I CB 1.973 40.003 38.000 0.049 0.000 1.332 1036 I HN 0.301 nan 8.210 nan 0.000 0.458 1037 A N 6.370 129.215 122.820 0.043 0.000 2.310 1037 A HA 0.703 5.023 4.320 -0.000 0.000 0.299 1037 A C -0.715 176.903 177.584 0.056 0.000 1.147 1037 A CA -0.347 51.715 52.037 0.042 0.000 0.818 1037 A CB 0.605 19.629 19.000 0.041 0.000 1.096 1037 A HN 0.477 nan 8.150 nan 0.000 0.495 1038 L N 2.709 123.959 121.223 0.045 0.000 2.322 1038 L HA 0.524 4.864 4.340 -0.000 0.000 0.269 1038 L C -1.306 175.575 176.870 0.019 0.000 1.012 1038 L CA -1.676 53.192 54.840 0.048 0.000 0.815 1038 L CB 1.226 43.305 42.059 0.033 0.000 1.295 1038 L HN 0.584 nan 8.230 nan 0.000 0.438 1039 P HA 0.116 nan 4.420 nan 0.000 0.242 1039 P C -0.375 176.870 177.300 -0.093 0.000 1.197 1039 P CA 0.412 63.467 63.100 -0.074 0.000 0.765 1039 P CB 0.731 32.279 31.700 -0.253 0.000 0.936 1040 A N -0.218 122.560 122.820 -0.070 0.000 2.608 1040 A HA 0.439 4.759 4.320 -0.000 0.000 0.292 1040 A C -0.661 176.903 177.584 -0.034 0.000 1.066 1040 A CA -0.580 51.422 52.037 -0.057 0.000 0.676 1040 A CB 0.507 19.459 19.000 -0.081 0.000 1.277 1040 A HN -0.129 nan 8.150 nan 0.000 0.413 1041 D N 0.963 121.348 120.400 -0.024 0.000 2.479 1041 D HA 0.167 4.806 4.640 -0.000 0.000 0.218 1041 D C 0.269 176.561 176.300 -0.014 0.000 1.177 1041 D CA 0.994 54.985 54.000 -0.014 0.000 0.830 1041 D CB 0.937 41.732 40.800 -0.010 0.000 1.014 1041 D HN 0.760 nan 8.370 nan 0.000 0.503 1042 T N -2.631 111.912 114.554 -0.019 0.000 2.901 1042 T HA 0.315 4.665 4.350 -0.000 0.000 0.293 1042 T C 1.449 176.136 174.700 -0.022 0.000 1.084 1042 T CA -0.703 61.387 62.100 -0.016 0.000 1.008 1042 T CB 2.146 71.005 68.868 -0.015 0.000 1.170 1042 T HN -0.186 nan 8.240 nan 0.000 0.509 1043 V N -0.853 119.050 119.914 -0.018 0.000 2.453 1043 V HA 0.043 4.163 4.120 -0.000 0.000 0.247 1043 V C 2.198 178.277 176.094 -0.025 0.000 1.048 1043 V CA 1.554 63.841 62.300 -0.023 0.000 1.049 1043 V CB -1.165 30.647 31.823 -0.017 0.000 0.672 1043 V HN 0.816 nan 8.190 nan 0.000 0.457 1044 E N 0.774 120.963 120.200 -0.018 0.000 2.047 1044 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 1044 E C 2.321 178.909 176.600 -0.021 0.000 0.987 1044 E CA 1.594 57.986 56.400 -0.014 0.000 0.799 1044 E CB -0.327 29.368 29.700 -0.008 0.000 0.752 1044 E HN 0.664 nan 8.360 nan 0.000 0.449 1045 E N -0.076 120.107 120.200 -0.027 0.000 2.152 1045 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 1045 E C 2.079 178.642 176.600 -0.063 0.000 0.983 1045 E CA 0.347 56.724 56.400 -0.038 0.000 0.818 1045 E CB -0.240 29.439 29.700 -0.035 0.000 0.758 1045 E HN 0.173 nan 8.360 nan 0.000 0.467 1046 L N 1.012 122.196 121.223 -0.064 0.000 2.072 1046 L HA -0.061 4.279 4.340 -0.000 0.000 0.205 1046 L C 2.252 179.065 176.870 -0.095 0.000 1.079 1046 L CA 1.515 56.300 54.840 -0.091 0.000 0.752 1046 L CB -0.146 41.869 42.059 -0.073 0.000 0.906 1046 L HN -0.098 nan 8.230 nan 0.000 0.436 1047 R N -0.553 119.909 120.500 -0.063 0.000 2.081 1047 R HA -0.123 4.217 4.340 -0.000 0.000 0.235 1047 R C 2.014 178.297 176.300 -0.028 0.000 1.131 1047 R CA 1.448 57.521 56.100 -0.045 0.000 0.960 1047 R CB -0.459 29.831 30.300 -0.018 0.000 0.856 1047 R HN 0.437 nan 8.270 nan 0.000 0.436 1048 N N 0.821 119.505 118.700 -0.026 0.000 2.223 1048 N HA -0.176 4.564 4.740 -0.000 0.000 0.185 1048 N C 1.732 177.224 175.510 -0.031 0.000 1.016 1048 N CA 1.123 54.166 53.050 -0.011 0.000 0.863 1048 N CB -0.054 38.427 38.487 -0.009 0.000 0.983 1048 N HN 0.293 nan 8.380 nan 0.000 0.429 1049 I N -0.050 120.462 120.570 -0.097 0.000 2.585 1049 I HA 0.021 4.191 4.170 -0.000 0.000 0.254 1049 I C 1.750 177.767 176.117 -0.167 0.000 1.129 1049 I CA 0.534 61.729 61.300 -0.175 0.000 1.455 1049 I CB 0.171 37.967 38.000 -0.341 0.000 1.111 1049 I HN -0.065 nan 8.210 nan 0.000 0.433 1050 I N 1.082 121.566 120.570 -0.143 0.000 2.353 1050 I HA -0.019 4.151 4.170 -0.000 0.000 0.248 1050 I C 1.535 177.670 176.117 0.030 0.000 1.119 1050 I CA 0.566 61.862 61.300 -0.006 0.000 1.417 1050 I CB -0.865 37.099 38.000 -0.060 0.000 1.078 1050 I HN 0.280 nan 8.210 nan 0.000 0.421 1051 G N 0.775 109.584 108.800 0.016 0.000 2.507 1051 G HA2 0.508 4.468 3.960 -0.000 0.000 0.271 1051 G HA3 0.508 4.468 3.960 -0.000 0.000 0.271 1051 G C -0.490 174.476 174.900 0.110 0.000 1.189 1051 G CA -0.483 44.656 45.100 0.064 0.000 0.859 1051 G HN -0.026 nan 8.290 nan 0.000 0.542 1052 M N 0.405 120.105 119.600 0.166 0.000 2.336 1052 M HA 0.255 4.735 4.480 -0.000 0.000 0.342 1052 M C 0.225 176.639 176.300 0.191 0.000 1.128 1052 M CA -0.424 54.982 55.300 0.178 0.000 1.016 1052 M CB 2.343 35.079 32.600 0.227 0.000 1.665 1052 M HN 0.655 nan 8.290 nan 0.000 0.445 1053 D N 1.453 121.940 120.400 0.145 0.000 2.490 1053 D HA 0.133 4.773 4.640 -0.000 0.000 0.244 1053 D C -0.275 176.110 176.300 0.141 0.000 0.979 1053 D CA 1.146 55.244 54.000 0.164 0.000 0.924 1053 D CB 0.777 41.650 40.800 0.122 0.000 1.075 1053 D HN 0.418 nan 8.370 nan 0.000 0.488 1054 K N -0.118 120.313 120.400 0.052 0.000 2.395 1054 K HA 0.514 4.834 4.320 -0.000 0.000 0.245 1054 K C -2.684 173.801 176.600 -0.190 0.000 1.017 1054 K CA -2.005 54.256 56.287 -0.044 0.000 0.852 1054 K CB 1.705 34.193 32.500 -0.021 0.000 1.311 1054 K HN -0.221 nan 8.250 nan 0.000 0.452 1055 P HA 0.066 nan 4.420 nan 0.000 0.269 1055 P C -0.555 176.628 177.300 -0.194 0.000 1.215 1055 P CA -0.003 62.833 63.100 -0.441 0.000 0.780 1055 P CB 0.652 31.991 31.700 -0.602 0.000 0.898 1056 L N 0.594 121.748 121.223 -0.116 0.000 3.232 1056 L HA 0.469 4.809 4.340 -0.000 0.000 0.222 1056 L C -0.326 176.534 176.870 -0.017 0.000 1.515 1056 L CA -0.026 54.793 54.840 -0.034 0.000 2.255 1056 L CB 0.593 42.673 42.059 0.035 0.000 2.182 1056 L HN 0.550 nan 8.230 nan 0.000 0.747 1057 S N -1.493 114.233 115.700 0.043 0.000 2.615 1057 S HA 0.257 4.727 4.470 -0.000 0.000 0.269 1057 S C -0.078 174.602 174.600 0.134 0.000 1.161 1057 S CA -0.424 57.808 58.200 0.054 0.000 0.817 1057 S CB 1.457 64.680 63.200 0.039 0.000 1.131 1057 S HN 0.367 nan 8.310 nan 0.000 0.467 1058 L N 1.374 122.675 121.223 0.130 0.000 2.005 1058 L HA 0.301 4.641 4.340 -0.000 0.000 0.207 1058 L C -1.190 175.832 176.870 0.253 0.000 1.072 1058 L CA 1.663 56.636 54.840 0.222 0.000 0.744 1058 L CB -1.701 40.448 42.059 0.151 0.000 0.895 1058 L HN 0.594 nan 8.230 nan 0.000 0.433 1059 P HA -0.101 nan 4.420 nan 0.000 0.216 1059 P C 1.601 178.957 177.300 0.093 0.000 1.150 1059 P CA 1.782 64.940 63.100 0.096 0.000 0.837 1059 P CB -0.376 31.353 31.700 0.048 0.000 0.786 1060 G N -0.737 108.129 108.800 0.110 0.000 2.418 1060 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.217 1060 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.217 1060 G C 1.375 176.354 174.900 0.132 0.000 1.158 1060 G CA 0.453 45.611 45.100 0.098 0.000 0.771 1060 G HN 0.265 nan 8.290 nan 0.000 0.545 1061 F N 1.185 121.190 119.950 0.091 0.000 2.146 1061 F HA 0.128 4.655 4.527 -0.000 0.000 0.298 1061 F C 2.246 178.150 175.800 0.173 0.000 1.096 1061 F CA 0.952 59.020 58.000 0.113 0.000 1.275 1061 F CB -0.267 38.833 39.000 0.167 0.000 1.008 1061 F HN 0.024 nan 8.300 nan 0.000 0.480 1062 L N 0.437 121.586 121.223 -0.122 0.000 2.265 1062 L HA -0.159 4.181 4.340 -0.000 0.000 0.215 1062 L C 2.669 179.534 176.870 -0.008 0.000 1.117 1062 L CA 0.896 55.671 54.840 -0.108 0.000 0.782 1062 L CB -1.023 41.069 42.059 0.055 0.000 0.914 1062 L HN 0.367 nan 8.230 nan 0.000 0.441 1063 A N -0.574 122.217 122.820 -0.049 0.000 2.119 1063 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 1063 A C 2.206 179.688 177.584 -0.170 0.000 1.153 1063 A CA 0.853 52.843 52.037 -0.077 0.000 0.692 1063 A CB -0.129 18.823 19.000 -0.081 0.000 0.799 1063 A HN 0.170 nan 8.150 nan 0.000 0.458 1064 K N -0.280 120.017 120.400 -0.172 0.000 2.057 1064 K HA -0.102 4.218 4.320 -0.000 0.000 0.207 1064 K C 1.403 177.881 176.600 -0.203 0.000 1.049 1064 K CA 1.147 57.341 56.287 -0.155 0.000 0.931 1064 K CB -0.781 31.624 32.500 -0.158 0.000 0.714 1064 K HN 0.547 nan 8.250 nan 0.000 0.440 1065 F N 2.439 122.188 119.950 -0.335 0.000 2.271 1065 F HA -0.206 4.320 4.527 -0.000 0.000 0.302 1065 F C 1.675 177.016 175.800 -0.763 0.000 1.063 1065 F CA 1.263 58.876 58.000 -0.645 0.000 1.362 1065 F CB -0.438 38.351 39.000 -0.352 0.000 1.060 1065 F HN 0.087 nan 8.300 nan 0.000 0.521 1066 D N -1.389 118.889 120.400 -0.204 0.000 2.219 1066 D HA -0.171 4.469 4.640 -0.000 0.000 0.205 1066 D C 1.935 178.123 176.300 -0.187 0.000 0.970 1066 D CA 1.025 54.948 54.000 -0.129 0.000 0.851 1066 D CB -0.547 40.234 40.800 -0.033 0.000 0.943 1066 D HN 0.261 nan 8.370 nan 0.000 0.488 1067 Y N -0.215 120.007 120.300 -0.130 0.000 2.242 1067 Y HA -0.164 4.386 4.550 -0.000 0.000 0.291 1067 Y C 1.910 177.810 175.900 0.001 0.000 1.137 1067 Y CA 0.750 58.837 58.100 -0.021 0.000 1.181 1067 Y CB -0.516 37.990 38.460 0.076 0.000 0.989 1067 Y HN 0.234 nan 8.280 nan 0.000 0.527 1068 Y N -5.899 114.394 120.300 -0.012 0.000 2.452 1068 Y HA 0.274 4.823 4.550 -0.000 0.000 0.262 1068 Y C 1.725 177.493 175.900 -0.219 0.000 1.089 1068 Y CA -0.251 57.799 58.100 -0.084 0.000 1.262 1068 Y CB -0.757 37.669 38.460 -0.057 0.000 1.236 1068 Y HN -0.218 nan 8.280 nan 0.000 0.512 1069 M N 1.457 120.553 119.600 -0.839 0.000 2.195 1069 M HA -0.052 4.427 4.480 -0.000 0.000 0.260 1069 M C -0.936 174.943 176.300 -0.703 0.000 1.066 1069 M CA 1.378 56.109 55.300 -0.948 0.000 1.089 1069 M CB -1.890 29.573 32.600 -1.894 0.000 1.377 1069 M HN 0.233 nan 8.290 nan 0.000 0.411 1070 P HA -0.069 nan 4.420 nan 0.000 0.218 1070 P C 1.776 179.042 177.300 -0.057 0.000 1.149 1070 P CA 0.944 63.955 63.100 -0.148 0.000 0.817 1070 P CB -0.020 31.671 31.700 -0.015 0.000 0.785 1071 V N -0.922 118.968 119.914 -0.041 0.000 3.041 1071 V HA -0.092 4.028 4.120 -0.000 0.000 0.260 1071 V C 1.899 177.988 176.094 -0.008 0.000 1.105 1071 V CA 1.281 63.603 62.300 0.037 0.000 1.125 1071 V CB -0.594 31.293 31.823 0.106 0.000 0.730 1071 V HN 0.072 nan 8.190 nan 0.000 0.479 1072 I N -0.580 119.939 120.570 -0.086 0.000 3.300 1072 I HA 0.289 4.459 4.170 -0.000 0.000 0.279 1072 I C 1.485 177.514 176.117 -0.148 0.000 1.172 1072 I CA 0.561 61.754 61.300 -0.178 0.000 1.431 1072 I CB -0.859 37.073 38.000 -0.114 0.000 1.240 1072 I HN 0.217 nan 8.210 nan 0.000 0.453 1073 A N 0.794 123.559 122.820 -0.092 0.000 2.531 1073 A HA 0.381 4.700 4.320 -0.000 0.000 0.236 1073 A C 1.440 179.034 177.584 0.016 0.000 1.062 1073 A CA 0.890 52.929 52.037 0.004 0.000 0.760 1073 A CB -0.457 18.627 19.000 0.140 0.000 0.995 1073 A HN 0.854 nan 8.150 nan 0.000 0.501 1074 G N -0.139 108.670 108.800 0.016 0.000 2.153 1074 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.252 1074 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.252 1074 G C 0.248 175.140 174.900 -0.013 0.000 0.994 1074 G CA 0.465 45.572 45.100 0.012 0.000 0.698 1074 G HN 1.812 nan 8.290 nan 0.000 0.521 1075 C N 0.688 119.954 119.300 -0.057 0.000 2.344 1075 C HA 0.664 5.124 4.460 -0.000 0.000 0.326 1075 C C 1.952 176.889 174.990 -0.088 0.000 1.201 1075 C CA -0.555 58.422 59.018 -0.068 0.000 1.410 1075 C CB 0.239 27.907 27.740 -0.121 0.000 2.070 1075 C HN 0.537 nan 8.230 nan 0.000 0.445 1076 R N 2.056 122.533 120.500 -0.038 0.000 2.094 1076 R HA -0.187 4.153 4.340 -0.000 0.000 0.239 1076 R C 2.032 178.311 176.300 -0.036 0.000 1.137 1076 R CA 2.375 58.455 56.100 -0.034 0.000 0.943 1076 R CB -0.152 30.143 30.300 -0.008 0.000 0.850 1076 R HN 0.930 nan 8.270 nan 0.000 0.433 1077 E N 0.835 121.042 120.200 0.011 0.000 2.204 1077 E HA -0.138 4.212 4.350 -0.000 0.000 0.195 1077 E C 1.857 178.465 176.600 0.014 0.000 0.990 1077 E CA 1.142 57.580 56.400 0.064 0.000 0.821 1077 E CB -0.098 29.708 29.700 0.176 0.000 0.750 1077 E HN 0.347 nan 8.360 nan 0.000 0.477 1078 A N 1.723 124.392 122.820 -0.251 0.000 1.872 1078 A HA -0.043 4.277 4.320 -0.000 0.000 0.214 1078 A C 2.251 179.653 177.584 -0.303 0.000 1.187 1078 A CA 1.139 52.759 52.037 -0.695 0.000 0.614 1078 A CB -0.577 17.662 19.000 -1.268 0.000 0.826 1078 A HN 0.273 nan 8.150 nan 0.000 0.442 1079 I N -0.422 120.019 120.570 -0.215 0.000 2.163 1079 I HA -0.303 3.866 4.170 -0.000 0.000 0.243 1079 I C 2.598 178.651 176.117 -0.108 0.000 1.085 1079 I CA 1.682 62.890 61.300 -0.154 0.000 1.347 1079 I CB -0.271 37.649 38.000 -0.133 0.000 1.044 1079 I HN 0.293 nan 8.210 nan 0.000 0.408 1080 K N 0.310 120.672 120.400 -0.064 0.000 2.025 1080 K HA -0.175 4.145 4.320 -0.000 0.000 0.207 1080 K C 2.377 179.007 176.600 0.049 0.000 1.049 1080 K CA 1.138 57.418 56.287 -0.012 0.000 0.933 1080 K CB -0.176 32.323 32.500 -0.002 0.000 0.714 1080 K HN 0.181 nan 8.250 nan 0.000 0.438 1081 R N 1.521 122.059 120.500 0.064 0.000 2.083 1081 R HA -0.160 4.180 4.340 -0.000 0.000 0.237 1081 R C 2.443 178.845 176.300 0.169 0.000 1.137 1081 R CA 1.874 58.056 56.100 0.136 0.000 0.951 1081 R CB -0.496 29.926 30.300 0.203 0.000 0.851 1081 R HN 0.355 nan 8.270 nan 0.000 0.434 1082 I N -1.857 118.773 120.570 0.100 0.000 2.361 1082 I HA -0.124 4.046 4.170 -0.000 0.000 0.251 1082 I C 2.198 178.391 176.117 0.127 0.000 1.133 1082 I CA 1.723 63.086 61.300 0.105 0.000 1.413 1082 I CB -0.452 37.572 38.000 0.040 0.000 1.073 1082 I HN 0.033 nan 8.210 nan 0.000 0.424 1083 A N 0.671 123.539 122.820 0.081 0.000 1.897 1083 A HA -0.188 4.132 4.320 -0.000 0.000 0.215 1083 A C 2.333 180.055 177.584 0.230 0.000 1.181 1083 A CA 1.559 53.644 52.037 0.080 0.000 0.620 1083 A CB -1.187 17.806 19.000 -0.010 0.000 0.821 1083 A HN 0.657 nan 8.150 nan 0.000 0.443 1084 Y N 0.880 121.254 120.300 0.123 0.000 2.133 1084 Y HA -0.170 4.380 4.550 -0.000 0.000 0.287 1084 Y C 2.263 178.288 175.900 0.207 0.000 1.134 1084 Y CA 2.217 60.422 58.100 0.174 0.000 1.133 1084 Y CB -0.223 38.318 38.460 0.136 0.000 0.987 1084 Y HN 0.441 nan 8.280 nan 0.000 0.502 1085 E N -0.623 119.762 120.200 0.308 0.000 2.204 1085 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 1085 E C 1.892 178.517 176.600 0.041 0.000 0.990 1085 E CA 1.114 57.606 56.400 0.153 0.000 0.821 1085 E CB -0.431 29.375 29.700 0.176 0.000 0.750 1085 E HN 0.562 nan 8.360 nan 0.000 0.477 1086 F N 1.380 121.322 119.950 -0.013 0.000 2.075 1086 F HA -0.222 4.305 4.527 -0.000 0.000 0.297 1086 F C 2.103 177.849 175.800 -0.091 0.000 1.113 1086 F CA 1.168 59.148 58.000 -0.033 0.000 1.218 1086 F CB -0.336 38.664 39.000 -0.001 0.000 0.984 1086 F HN -0.225 nan 8.300 nan 0.000 0.472 1087 V N 0.828 120.707 119.914 -0.059 0.000 2.287 1087 V HA -0.351 3.769 4.120 -0.000 0.000 0.248 1087 V C 2.423 178.249 176.094 -0.448 0.000 1.053 1087 V CA 2.353 64.555 62.300 -0.163 0.000 1.027 1087 V CB -1.023 30.848 31.823 0.080 0.000 0.646 1087 V HN 0.498 nan 8.190 nan 0.000 0.447 1088 E N -0.111 119.667 120.200 -0.704 0.000 2.058 1088 E HA -0.303 4.047 4.350 -0.000 0.000 0.194 1088 E C 2.271 178.451 176.600 -0.700 0.000 0.997 1088 E CA 2.050 57.684 56.400 -1.277 0.000 0.801 1088 E CB -0.215 28.815 29.700 -1.117 0.000 0.746 1088 E HN 0.595 nan 8.360 nan 0.000 0.450 1089 M N 0.317 119.622 119.600 -0.492 0.000 2.080 1089 M HA -0.206 4.274 4.480 -0.000 0.000 0.260 1089 M C 1.758 177.816 176.300 -0.403 0.000 1.068 1089 M CA 1.628 56.700 55.300 -0.379 0.000 1.109 1089 M CB -0.005 32.405 32.600 -0.316 0.000 1.342 1089 M HN -0.070 nan 8.290 nan 0.000 0.405 1090 K N 0.621 120.702 120.400 -0.532 0.000 2.097 1090 K HA 0.004 4.324 4.320 -0.000 0.000 0.205 1090 K C 2.061 178.488 176.600 -0.289 0.000 1.050 1090 K CA 1.429 57.455 56.287 -0.435 0.000 0.938 1090 K CB -0.825 31.337 32.500 -0.563 0.000 0.718 1090 K HN 0.520 nan 8.250 nan 0.000 0.442 1091 A N 1.803 124.440 122.820 -0.306 0.000 1.902 1091 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 1091 A C 2.019 179.484 177.584 -0.198 0.000 1.181 1091 A CA 1.572 53.481 52.037 -0.213 0.000 0.623 1091 A CB -0.323 18.540 19.000 -0.230 0.000 0.818 1091 A HN 0.266 nan 8.150 nan 0.000 0.443 1092 K N -0.406 119.845 120.400 -0.248 0.000 2.362 1092 K HA -0.096 4.224 4.320 -0.000 0.000 0.200 1092 K C 1.532 178.032 176.600 -0.166 0.000 1.046 1092 K CA 1.258 57.428 56.287 -0.194 0.000 0.952 1092 K CB -0.062 32.314 32.500 -0.206 0.000 0.753 1092 K HN 0.608 nan 8.250 nan 0.000 0.466 1093 E N -0.695 119.398 120.200 -0.178 0.000 2.442 1093 E HA -0.010 4.339 4.350 -0.000 0.000 0.195 1093 E C 0.781 177.286 176.600 -0.158 0.000 1.030 1093 E CA 0.373 56.676 56.400 -0.161 0.000 0.869 1093 E CB 0.487 30.092 29.700 -0.158 0.000 0.857 1093 E HN 0.468 nan 8.360 nan 0.000 0.505 1094 G N 0.775 109.492 108.800 -0.140 0.000 2.163 1094 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.213 1094 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.213 1094 G C 0.204 175.056 174.900 -0.081 0.000 0.991 1094 G CA 0.003 45.032 45.100 -0.118 0.000 0.653 1094 G HN 0.111 nan 8.290 nan 0.000 0.518 1095 V N 1.788 121.652 119.914 -0.084 0.000 2.555 1095 V HA 0.402 4.522 4.120 -0.000 0.000 0.286 1095 V C 1.808 177.893 176.094 -0.015 0.000 1.044 1095 V CA 0.313 62.590 62.300 -0.039 0.000 1.026 1095 V CB 1.398 33.186 31.823 -0.059 0.000 0.981 1095 V HN 0.895 nan 8.190 nan 0.000 0.480 1096 V N 1.920 121.855 119.914 0.035 0.000 3.263 1096 V HA 0.324 4.444 4.120 -0.000 0.000 0.248 1096 V C 0.177 176.361 176.094 0.150 0.000 1.145 1096 V CA 0.443 62.780 62.300 0.062 0.000 1.107 1096 V CB -0.261 31.585 31.823 0.037 0.000 0.797 1096 V HN 0.684 nan 8.190 nan 0.000 0.467 1097 Y N 0.648 120.960 120.300 0.021 0.000 2.421 1097 Y HA 0.758 5.308 4.550 -0.000 0.000 0.339 1097 Y C -1.252 174.685 175.900 0.061 0.000 0.996 1097 Y CA -1.545 56.577 58.100 0.037 0.000 1.046 1097 Y CB 2.164 40.637 38.460 0.023 0.000 1.226 1097 Y HN -0.040 nan 8.280 nan 0.000 0.445 1098 V N 4.964 124.490 119.914 -0.646 0.000 2.841 1098 V HA 0.472 4.592 4.120 -0.000 0.000 0.310 1098 V C -1.158 174.634 176.094 -0.504 0.000 1.090 1098 V CA -1.146 60.893 62.300 -0.435 0.000 0.930 1098 V CB 2.105 33.919 31.823 -0.016 0.000 1.014 1098 V HN 0.743 nan 8.190 nan 0.000 0.425 1099 E N 2.310 122.327 120.200 -0.305 0.000 2.145 1099 E HA 0.565 4.915 4.350 -0.000 0.000 0.262 1099 E C -1.194 175.382 176.600 -0.040 0.000 0.883 1099 E CA -0.528 55.784 56.400 -0.147 0.000 0.748 1099 E CB 2.345 31.994 29.700 -0.085 0.000 1.140 1099 E HN 0.537 nan 8.360 nan 0.000 0.417 1100 V N 3.059 122.940 119.914 -0.054 0.000 2.539 1100 V HA 0.495 4.615 4.120 -0.000 0.000 0.292 1100 V C 0.263 176.311 176.094 -0.076 0.000 1.045 1100 V CA -0.838 61.372 62.300 -0.151 0.000 0.945 1100 V CB 1.054 32.611 31.823 -0.442 0.000 0.993 1100 V HN 0.662 nan 8.190 nan 0.000 0.464 1101 R N 3.162 123.584 120.500 -0.130 0.000 2.803 1101 R HA 0.856 5.196 4.340 -0.000 0.000 0.276 1101 R C -1.532 174.737 176.300 -0.052 0.000 0.978 1101 R CA -0.735 55.274 56.100 -0.151 0.000 0.939 1101 R CB 2.098 32.208 30.300 -0.316 0.000 1.179 1101 R HN 0.840 nan 8.270 nan 0.000 0.472 1102 Y N -2.487 117.721 120.300 -0.152 0.000 2.662 1102 Y HA 0.400 4.949 4.550 -0.000 0.000 0.334 1102 Y C -1.614 174.289 175.900 0.005 0.000 1.185 1102 Y CA -1.211 56.862 58.100 -0.046 0.000 1.074 1102 Y CB 1.162 39.600 38.460 -0.037 0.000 1.330 1102 Y HN 0.656 nan 8.280 nan 0.000 0.458 1103 S N 4.004 119.742 115.700 0.063 0.000 2.430 1103 S HA 0.378 4.848 4.470 -0.000 0.000 0.289 1103 S C -1.650 172.986 174.600 0.061 0.000 1.143 1103 S CA -1.544 56.670 58.200 0.024 0.000 1.067 1103 S CB 0.718 64.009 63.200 0.151 0.000 0.964 1103 S HN 0.610 nan 8.310 nan 0.000 0.485 1104 P HA -0.120 nan 4.420 nan 0.000 0.220 1104 P C 0.538 177.710 177.300 -0.215 0.000 1.148 1104 P CA 1.317 64.375 63.100 -0.069 0.000 0.803 1104 P CB -0.060 31.491 31.700 -0.248 0.000 0.782 1105 H N -0.086 118.808 119.070 -0.294 0.000 2.423 1105 H HA 0.045 4.601 4.556 -0.000 0.000 0.297 1105 H C 1.948 177.047 175.328 -0.382 0.000 1.075 1105 H CA 0.850 56.546 56.048 -0.588 0.000 1.342 1105 H CB -0.906 27.983 29.762 -1.456 0.000 1.395 1105 H HN 0.080 nan 8.280 nan 0.000 0.530 1106 L N 0.168 121.383 121.223 -0.013 0.000 2.622 1106 L HA -0.043 4.297 4.340 -0.000 0.000 0.233 1106 L C 0.587 177.675 176.870 0.364 0.000 1.156 1106 L CA 0.135 55.106 54.840 0.218 0.000 0.866 1106 L CB 0.130 42.422 42.059 0.387 0.000 0.980 1106 L HN 0.302 nan 8.230 nan 0.000 0.448 1107 L N -0.979 120.344 121.223 0.165 0.000 2.858 1107 L HA 0.379 4.719 4.340 -0.000 0.000 0.251 1107 L C 1.085 177.987 176.870 0.053 0.000 1.149 1107 L CA 0.215 55.129 54.840 0.124 0.000 0.955 1107 L CB -0.453 41.642 42.059 0.060 0.000 1.289 1107 L HN 0.023 nan 8.230 nan 0.000 0.542 1108 A N 0.864 123.687 122.820 0.005 0.000 2.264 1108 A HA 0.556 4.876 4.320 -0.000 0.000 0.304 1108 A C 0.691 178.279 177.584 0.006 0.000 1.100 1108 A CA -0.134 51.884 52.037 -0.032 0.000 0.839 1108 A CB 0.239 19.170 19.000 -0.114 0.000 1.121 1108 A HN 0.511 nan 8.150 nan 0.000 0.496 1109 N N -0.893 117.809 118.700 0.004 0.000 2.232 1109 N HA 0.221 4.961 4.740 -0.000 0.000 0.240 1109 N C -0.620 174.897 175.510 0.011 0.000 1.307 1109 N CA 0.000 53.064 53.050 0.023 0.000 0.859 1109 N CB 0.876 39.387 38.487 0.040 0.000 1.260 1109 N HN 0.378 nan 8.380 nan 0.000 0.501 1110 S N 0.880 116.577 115.700 -0.006 0.000 2.572 1110 S HA 0.283 4.753 4.470 -0.000 0.000 0.274 1110 S C -1.001 173.590 174.600 -0.014 0.000 1.150 1110 S CA -0.473 57.725 58.200 -0.003 0.000 0.944 1110 S CB 0.823 64.021 63.200 -0.003 0.000 1.071 1110 S HN 0.316 nan 8.310 nan 0.000 0.479 1111 K N 1.134 121.536 120.400 0.003 0.000 3.239 1111 K HA -0.127 4.192 4.320 -0.000 0.000 0.270 1111 K C -0.841 175.766 176.600 0.012 0.000 1.049 1111 K CA 0.928 57.222 56.287 0.010 0.000 0.769 1111 K CB -2.113 30.388 32.500 0.002 0.000 1.305 1111 K HN 0.554 nan 8.250 nan 0.000 0.469 1112 V N -1.707 118.226 119.914 0.031 0.000 2.524 1112 V HA 0.161 4.281 4.120 -0.000 0.000 0.297 1112 V C 1.152 177.339 176.094 0.156 0.000 1.035 1112 V CA -0.936 61.398 62.300 0.056 0.000 0.867 1112 V CB 1.810 33.607 31.823 -0.043 0.000 1.004 1112 V HN 0.194 nan 8.190 nan 0.000 0.426 1113 D N 4.497 125.050 120.400 0.256 0.000 2.081 1113 D HA -0.020 4.620 4.640 -0.000 0.000 0.194 1113 D C -1.381 175.016 176.300 0.161 0.000 0.986 1113 D CA 1.438 55.545 54.000 0.179 0.000 0.837 1113 D CB -0.279 40.606 40.800 0.143 0.000 0.985 1113 D HN 0.528 nan 8.370 nan 0.000 0.448 1114 P HA 0.121 nan 4.420 nan 0.000 0.277 1114 P C -0.451 176.946 177.300 0.162 0.000 1.354 1114 P CA -0.202 62.973 63.100 0.125 0.000 0.891 1114 P CB 0.327 32.058 31.700 0.052 0.000 1.058 1115 M N 6.973 126.619 119.600 0.077 0.000 2.390 1115 M HA 0.118 4.598 4.480 -0.000 0.000 0.353 1115 M C -2.300 173.985 176.300 -0.025 0.000 1.623 1115 M CA -1.740 53.586 55.300 0.043 0.000 1.065 1115 M CB -0.520 32.099 32.600 0.032 0.000 2.025 1115 M HN 0.141 nan 8.290 nan 0.000 0.461 1116 P HA 0.087 nan 4.420 nan 0.000 0.272 1116 P C -0.971 176.128 177.300 -0.334 0.000 1.223 1116 P CA 0.228 63.079 63.100 -0.416 0.000 0.784 1116 P CB 0.162 31.605 31.700 -0.428 0.000 0.923 1117 W N 0.584 121.915 121.300 0.052 0.000 6.349 1117 W HA -0.275 4.385 4.660 -0.000 0.000 0.388 1117 W C 0.028 176.561 176.519 0.024 0.000 1.429 1117 W CA 0.510 57.869 57.345 0.024 0.000 1.047 1117 W CB -3.212 26.256 29.460 0.014 0.000 2.567 1117 W HN 0.540 nan 8.180 nan 0.000 1.594 1118 N N -0.789 117.958 118.700 0.079 0.000 2.708 1118 N HA -0.263 4.477 4.740 -0.000 0.000 0.251 1118 N C 0.511 176.076 175.510 0.091 0.000 1.017 1118 N CA 1.267 54.358 53.050 0.069 0.000 0.742 1118 N CB -0.581 37.945 38.487 0.065 0.000 0.943 1118 N HN 0.612 nan 8.380 nan 0.000 0.539 1119 Q N -0.302 119.561 119.800 0.105 0.000 2.407 1119 Q HA 0.333 4.673 4.340 -0.000 0.000 0.214 1119 Q C 0.151 176.190 176.000 0.064 0.000 1.043 1119 Q CA 0.042 55.905 55.803 0.099 0.000 0.983 1119 Q CB 0.670 29.479 28.738 0.117 0.000 1.211 1119 Q HN 0.154 nan 8.270 nan 0.000 0.564 1120 T N 1.383 115.971 114.554 0.056 0.000 2.794 1120 T HA 0.137 4.487 4.350 -0.000 0.000 0.280 1120 T C -0.424 174.298 174.700 0.037 0.000 0.987 1120 T CA -0.801 61.324 62.100 0.041 0.000 0.993 1120 T CB 0.973 69.863 68.868 0.036 0.000 0.939 1120 T HN 0.325 nan 8.240 nan 0.000 0.449 1121 E N 1.528 121.746 120.200 0.031 0.000 2.760 1121 E HA 0.133 4.482 4.350 -0.000 0.000 0.268 1121 E C 0.497 177.112 176.600 0.024 0.000 0.935 1121 E CA 0.684 57.100 56.400 0.026 0.000 0.960 1121 E CB 0.559 30.272 29.700 0.022 0.000 0.931 1121 E HN 0.860 nan 8.360 nan 0.000 0.483 1122 G N 1.755 110.568 108.800 0.021 0.000 3.058 1122 G HA2 0.210 4.170 3.960 -0.000 0.000 0.282 1122 G HA3 0.210 4.170 3.960 -0.000 0.000 0.282 1122 G C -0.283 174.624 174.900 0.012 0.000 1.248 1122 G CA -0.147 44.963 45.100 0.018 0.000 0.822 1122 G HN 0.488 nan 8.290 nan 0.000 0.579 1123 D N -1.232 119.173 120.400 0.009 0.000 2.407 1123 D HA 0.064 4.704 4.640 -0.000 0.000 0.208 1123 D C 0.738 177.037 176.300 -0.001 0.000 1.083 1123 D CA -0.099 53.904 54.000 0.005 0.000 0.844 1123 D CB 0.251 41.055 40.800 0.007 0.000 0.967 1123 D HN 0.174 nan 8.370 nan 0.000 0.506 1124 V N 1.632 121.544 119.914 -0.004 0.000 2.403 1124 V HA 0.143 4.263 4.120 -0.000 0.000 0.265 1124 V C 0.730 176.807 176.094 -0.028 0.000 1.034 1124 V CA 0.165 62.456 62.300 -0.015 0.000 1.036 1124 V CB 0.291 32.105 31.823 -0.015 0.000 1.032 1124 V HN 0.098 nan 8.190 nan 0.000 0.478 1125 T N 8.010 122.543 114.554 -0.035 0.000 2.899 1125 T HA 0.266 4.615 4.350 -0.000 0.000 0.284 1125 T C -1.407 173.234 174.700 -0.100 0.000 1.004 1125 T CA -1.127 60.940 62.100 -0.056 0.000 1.043 1125 T CB 1.780 70.627 68.868 -0.034 0.000 1.013 1125 T HN 0.411 nan 8.240 nan 0.000 0.518 1126 P HA -0.109 nan 4.420 nan 0.000 0.216 1126 P C 1.271 178.455 177.300 -0.193 0.000 1.150 1126 P CA 0.706 63.630 63.100 -0.294 0.000 0.837 1126 P CB 0.177 31.536 31.700 -0.568 0.000 0.786 1127 D N -0.572 119.764 120.400 -0.106 0.000 2.144 1127 D HA -0.178 4.462 4.640 -0.000 0.000 0.199 1127 D C 1.165 177.457 176.300 -0.014 0.000 0.984 1127 D CA 1.141 55.137 54.000 -0.007 0.000 0.834 1127 D CB -0.191 40.642 40.800 0.055 0.000 0.955 1127 D HN 0.037 nan 8.370 nan 0.000 0.465 1128 D N 0.478 120.862 120.400 -0.028 0.000 2.117 1128 D HA -0.154 4.486 4.640 -0.000 0.000 0.197 1128 D C 2.326 178.591 176.300 -0.058 0.000 0.987 1128 D CA 1.523 55.507 54.000 -0.027 0.000 0.829 1128 D CB -0.503 40.283 40.800 -0.023 0.000 0.961 1128 D HN 0.335 nan 8.370 nan 0.000 0.460 1129 V N -0.375 119.498 119.914 -0.069 0.000 2.332 1129 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 1129 V C 2.367 178.414 176.094 -0.078 0.000 1.055 1129 V CA 1.538 63.798 62.300 -0.066 0.000 1.038 1129 V CB -1.090 30.716 31.823 -0.028 0.000 0.651 1129 V HN 0.047 nan 8.190 nan 0.000 0.450 1130 V N 1.450 121.306 119.914 -0.096 0.000 2.295 1130 V HA -0.286 3.834 4.120 -0.000 0.000 0.246 1130 V C 2.561 178.449 176.094 -0.343 0.000 1.049 1130 V CA 2.690 64.872 62.300 -0.197 0.000 1.024 1130 V CB -1.147 30.409 31.823 -0.446 0.000 0.648 1130 V HN 0.741 nan 8.190 nan 0.000 0.447 1131 D N -0.156 120.056 120.400 -0.315 0.000 2.092 1131 D HA -0.178 4.462 4.640 -0.000 0.000 0.193 1131 D C 2.009 178.254 176.300 -0.093 0.000 0.994 1131 D CA 1.233 55.131 54.000 -0.170 0.000 0.828 1131 D CB -0.114 40.686 40.800 -0.001 0.000 0.963 1131 D HN 0.150 nan 8.370 nan 0.000 0.450 1132 L N 0.380 121.554 121.223 -0.082 0.000 2.012 1132 L HA -0.134 4.206 4.340 -0.000 0.000 0.210 1132 L C 2.679 179.501 176.870 -0.081 0.000 1.073 1132 L CA 0.981 55.782 54.840 -0.065 0.000 0.748 1132 L CB -1.307 40.711 42.059 -0.069 0.000 0.891 1132 L HN 0.133 nan 8.230 nan 0.000 0.431 1133 V N 0.112 119.942 119.914 -0.139 0.000 2.287 1133 V HA -0.327 3.793 4.120 -0.000 0.000 0.248 1133 V C 2.209 178.253 176.094 -0.083 0.000 1.053 1133 V CA 1.984 64.177 62.300 -0.179 0.000 1.027 1133 V CB -0.860 30.746 31.823 -0.361 0.000 0.646 1133 V HN 0.537 nan 8.190 nan 0.000 0.447 1134 N N -0.310 118.347 118.700 -0.072 0.000 2.061 1134 N HA -0.267 4.473 4.740 -0.000 0.000 0.193 1134 N C 1.956 177.480 175.510 0.023 0.000 1.030 1134 N CA 1.518 54.558 53.050 -0.017 0.000 0.856 1134 N CB -0.217 38.253 38.487 -0.029 0.000 1.023 1134 N HN 0.593 nan 8.380 nan 0.000 0.424 1135 Q N 0.064 119.874 119.800 0.015 0.000 2.061 1135 Q HA -0.128 4.212 4.340 -0.000 0.000 0.204 1135 Q C 2.418 178.463 176.000 0.076 0.000 0.984 1135 Q CA 1.500 57.326 55.803 0.040 0.000 0.846 1135 Q CB -0.287 28.464 28.738 0.023 0.000 0.902 1135 Q HN 0.479 nan 8.270 nan 0.000 0.421 1136 G N 0.721 109.568 108.800 0.079 0.000 2.402 1136 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.216 1136 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.216 1136 G C 1.425 176.450 174.900 0.208 0.000 1.162 1136 G CA 0.385 45.588 45.100 0.172 0.000 0.777 1136 G HN 0.150 nan 8.290 nan 0.000 0.539 1137 L N -0.217 121.079 121.223 0.122 0.000 2.046 1137 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 1137 L C 3.126 180.068 176.870 0.121 0.000 1.077 1137 L CA 1.294 56.207 54.840 0.122 0.000 0.747 1137 L CB -0.554 41.554 42.059 0.082 0.000 0.896 1137 L HN 0.286 nan 8.230 nan 0.000 0.432 1138 Q N -0.042 119.820 119.800 0.104 0.000 2.050 1138 Q HA -0.222 4.118 4.340 -0.000 0.000 0.202 1138 Q C 2.144 178.199 176.000 0.092 0.000 0.980 1138 Q CA 1.628 57.485 55.803 0.090 0.000 0.840 1138 Q CB -0.044 28.740 28.738 0.076 0.000 0.898 1138 Q HN 0.506 nan 8.270 nan 0.000 0.424 1139 E N -0.332 119.949 120.200 0.135 0.000 2.110 1139 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 1139 E C 1.977 178.663 176.600 0.142 0.000 0.988 1139 E CA 0.908 57.409 56.400 0.167 0.000 0.804 1139 E CB -0.168 29.675 29.700 0.239 0.000 0.745 1139 E HN 0.468 nan 8.360 nan 0.000 0.458 1140 G N 1.155 110.021 108.800 0.110 0.000 2.394 1140 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.215 1140 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.215 1140 G C 1.384 176.258 174.900 -0.043 0.000 1.165 1140 G CA 0.713 45.725 45.100 -0.147 0.000 0.784 1140 G HN 0.247 nan 8.290 nan 0.000 0.535 1141 E N -0.044 120.185 120.200 0.049 0.000 2.049 1141 E HA -0.270 4.080 4.350 -0.000 0.000 0.198 1141 E C 2.480 179.078 176.600 -0.002 0.000 1.007 1141 E CA 1.615 58.051 56.400 0.061 0.000 0.809 1141 E CB -0.133 29.615 29.700 0.079 0.000 0.749 1141 E HN 0.468 nan 8.360 nan 0.000 0.450 1142 Q N -0.145 119.637 119.800 -0.029 0.000 2.030 1142 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 1142 Q C 2.020 177.931 176.000 -0.147 0.000 0.986 1142 Q CA 2.179 57.949 55.803 -0.055 0.000 0.843 1142 Q CB -0.303 28.417 28.738 -0.031 0.000 0.904 1142 Q HN 0.417 nan 8.270 nan 0.000 0.420 1143 A N -0.944 121.688 122.820 -0.314 0.000 1.969 1143 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 1143 A C 1.315 178.467 177.584 -0.720 0.000 1.169 1143 A CA 1.198 52.879 52.037 -0.594 0.000 0.635 1143 A CB -0.347 18.118 19.000 -0.892 0.000 0.810 1143 A HN 0.415 nan 8.150 nan 0.000 0.445 1144 F N -1.375 118.543 119.950 -0.053 0.000 2.720 1144 F HA 0.389 4.916 4.527 -0.000 0.000 0.301 1144 F C 1.729 177.505 175.800 -0.040 0.000 1.103 1144 F CA -0.117 57.845 58.000 -0.064 0.000 1.291 1144 F CB -0.259 38.672 39.000 -0.115 0.000 1.086 1144 F HN 0.295 nan 8.300 nan 0.000 0.592 1145 G N 2.093 110.935 108.800 0.070 0.000 2.198 1145 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.257 1145 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.257 1145 G C 0.064 175.006 174.900 0.070 0.000 1.042 1145 G CA 0.460 45.593 45.100 0.055 0.000 0.791 1145 G HN 0.541 nan 8.290 nan 0.000 0.502 1146 I N -3.820 116.805 120.570 0.092 0.000 2.785 1146 I HA 0.825 4.995 4.170 -0.000 0.000 0.302 1146 I C -0.157 176.030 176.117 0.116 0.000 1.069 1146 I CA -1.749 59.605 61.300 0.090 0.000 1.045 1146 I CB 1.926 39.965 38.000 0.065 0.000 1.236 1146 I HN -0.012 nan 8.210 nan 0.000 0.429 1147 K N 3.515 124.014 120.400 0.165 0.000 2.234 1147 K HA 0.659 4.979 4.320 -0.000 0.000 0.282 1147 K C -1.395 175.340 176.600 0.225 0.000 1.039 1147 K CA -0.478 55.953 56.287 0.240 0.000 0.928 1147 K CB 1.314 34.025 32.500 0.351 0.000 1.039 1147 K HN 0.611 nan 8.250 nan 0.000 0.470 1148 V N 4.969 124.991 119.914 0.179 0.000 2.686 1148 V HA 0.532 4.651 4.120 -0.000 0.000 0.306 1148 V C -0.471 175.696 176.094 0.121 0.000 1.065 1148 V CA -1.066 61.294 62.300 0.101 0.000 0.894 1148 V CB 1.678 33.578 31.823 0.129 0.000 1.004 1148 V HN 0.785 nan 8.190 nan 0.000 0.424 1149 R N 1.769 122.306 120.500 0.061 0.000 2.905 1149 R HA 0.854 5.194 4.340 -0.000 0.000 0.260 1149 R C -0.518 175.820 176.300 0.062 0.000 1.086 1149 R CA -0.618 55.547 56.100 0.108 0.000 0.978 1149 R CB 2.342 32.759 30.300 0.195 0.000 1.215 1149 R HN 0.903 nan 8.270 nan 0.000 0.480 1150 S N -0.311 115.441 115.700 0.087 0.000 2.632 1150 S HA 0.757 5.227 4.470 -0.000 0.000 0.289 1150 S C -0.270 174.366 174.600 0.060 0.000 1.115 1150 S CA -0.808 57.440 58.200 0.080 0.000 0.889 1150 S CB 1.805 65.094 63.200 0.148 0.000 1.116 1150 S HN 0.440 nan 8.310 nan 0.000 0.486 1151 I N 1.203 121.777 120.570 0.006 0.000 2.571 1151 I HA 0.316 4.486 4.170 -0.000 0.000 0.289 1151 I C -1.241 174.757 176.117 -0.198 0.000 1.115 1151 I CA -0.746 60.529 61.300 -0.041 0.000 1.045 1151 I CB 1.890 39.898 38.000 0.014 0.000 1.238 1151 I HN 0.503 nan 8.210 nan 0.000 0.424 1152 L N 5.013 126.100 121.223 -0.226 0.000 2.292 1152 L HA 0.460 4.800 4.340 -0.000 0.000 0.284 1152 L C -0.534 176.231 176.870 -0.174 0.000 1.065 1152 L CA -0.569 54.060 54.840 -0.352 0.000 0.806 1152 L CB 1.341 43.229 42.059 -0.286 0.000 1.175 1152 L HN 0.582 nan 8.230 nan 0.000 0.431 1153 C N 2.031 121.236 119.300 -0.159 0.000 2.350 1153 C HA 0.418 4.878 4.460 -0.000 0.000 0.348 1153 C C 0.638 175.672 174.990 0.073 0.000 1.260 1153 C CA -0.837 58.178 59.018 -0.004 0.000 1.966 1153 C CB 0.484 28.242 27.740 0.031 0.000 2.380 1153 C HN 0.814 nan 8.230 nan 0.000 0.535 1154 C N 4.861 124.226 119.300 0.108 0.000 2.405 1154 C HA 0.566 5.026 4.460 -0.000 0.000 0.365 1154 C C 0.241 175.289 174.990 0.097 0.000 1.233 1154 C CA -0.510 58.598 59.018 0.150 0.000 2.230 1154 C CB 0.222 28.080 27.740 0.196 0.000 2.443 1154 C HN 0.752 nan 8.230 nan 0.000 0.556 1155 M N 2.781 122.434 119.600 0.088 0.000 2.167 1155 M HA 0.316 4.796 4.480 -0.000 0.000 0.333 1155 M C 1.186 177.438 176.300 -0.079 0.000 1.030 1155 M CA -0.145 55.116 55.300 -0.065 0.000 0.963 1155 M CB 1.247 33.724 32.600 -0.205 0.000 1.589 1155 M HN 0.754 nan 8.290 nan 0.000 0.431 1156 R N 1.256 121.722 120.500 -0.057 0.000 2.174 1156 R HA -0.200 4.140 4.340 -0.000 0.000 0.253 1156 R C 1.525 177.990 176.300 0.275 0.000 1.165 1156 R CA 1.867 58.001 56.100 0.056 0.000 0.984 1156 R CB -0.364 29.930 30.300 -0.011 0.000 0.873 1156 R HN 0.722 nan 8.270 nan 0.000 0.456 1157 H N -1.241 117.901 119.070 0.119 0.000 2.539 1157 H HA 0.155 4.711 4.556 -0.000 0.000 0.269 1157 H C -0.052 175.181 175.328 -0.158 0.000 0.980 1157 H CA 0.089 56.164 56.048 0.044 0.000 1.152 1157 H CB 0.570 30.303 29.762 -0.049 0.000 1.407 1157 H HN 0.024 nan 8.280 nan 0.000 0.564 1158 Q N 1.048 120.522 119.800 -0.543 0.000 3.300 1158 Q HA 0.242 4.582 4.340 -0.000 0.000 0.271 1158 Q C -2.382 173.337 176.000 -0.468 0.000 0.926 1158 Q CA -1.633 53.707 55.803 -0.772 0.000 0.788 1158 Q CB 1.968 29.710 28.738 -1.660 0.000 1.385 1158 Q HN 0.349 nan 8.270 nan 0.000 0.424 1159 P HA -0.029 nan 4.420 nan 0.000 0.242 1159 P C 0.950 178.094 177.300 -0.259 0.000 1.197 1159 P CA 0.700 63.537 63.100 -0.439 0.000 0.765 1159 P CB 0.463 31.799 31.700 -0.608 0.000 0.936 1160 S N -2.164 113.357 115.700 -0.300 0.000 2.461 1160 S HA -0.075 4.395 4.470 -0.000 0.000 0.228 1160 S C 1.193 175.803 174.600 0.016 0.000 1.005 1160 S CA 0.477 58.575 58.200 -0.170 0.000 0.942 1160 S CB -0.843 62.226 63.200 -0.218 0.000 0.776 1160 S HN 0.224 nan 8.310 nan 0.000 0.514 1161 W N 2.272 123.434 121.300 -0.230 0.000 2.640 1161 W HA 0.372 5.032 4.660 -0.000 0.000 0.268 1161 W C 2.378 178.786 176.519 -0.185 0.000 1.263 1161 W CA -0.850 56.268 57.345 -0.378 0.000 1.344 1161 W CB -1.476 27.506 29.460 -0.796 0.000 1.093 1161 W HN 0.244 nan 8.180 nan 0.000 0.603 1162 S N 1.360 117.141 115.700 0.135 0.000 2.368 1162 S HA -0.225 4.245 4.470 -0.000 0.000 0.226 1162 S C 1.993 176.656 174.600 0.105 0.000 1.044 1162 S CA 1.661 59.950 58.200 0.148 0.000 1.062 1162 S CB -0.881 62.440 63.200 0.202 0.000 0.931 1162 S HN 0.161 nan 8.310 nan 0.000 0.440 1163 L N 1.032 122.302 121.223 0.077 0.000 2.079 1163 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 1163 L C 2.738 179.647 176.870 0.066 0.000 1.081 1163 L CA 1.577 56.451 54.840 0.056 0.000 0.752 1163 L CB -0.590 41.493 42.059 0.041 0.000 0.896 1163 L HN 0.465 nan 8.230 nan 0.000 0.433 1164 E N 0.195 120.459 120.200 0.107 0.000 2.072 1164 E HA -0.171 4.179 4.350 -0.000 0.000 0.191 1164 E C 2.240 178.916 176.600 0.127 0.000 0.985 1164 E CA 1.154 57.631 56.400 0.128 0.000 0.801 1164 E CB 0.176 30.002 29.700 0.210 0.000 0.750 1164 E HN 0.242 nan 8.360 nan 0.000 0.452 1165 V N 1.513 121.528 119.914 0.169 0.000 2.332 1165 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 1165 V C 2.454 178.568 176.094 0.032 0.000 1.055 1165 V CA 1.518 63.890 62.300 0.120 0.000 1.038 1165 V CB -0.579 31.321 31.823 0.129 0.000 0.651 1165 V HN 0.358 nan 8.190 nan 0.000 0.450 1166 L N 0.387 121.617 121.223 0.012 0.000 2.012 1166 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 1166 L C 2.493 179.355 176.870 -0.014 0.000 1.073 1166 L CA 1.968 56.788 54.840 -0.033 0.000 0.748 1166 L CB -0.950 41.085 42.059 -0.041 0.000 0.891 1166 L HN 0.288 nan 8.230 nan 0.000 0.431 1167 E N -0.502 119.704 120.200 0.009 0.000 2.153 1167 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 1167 E C 2.221 178.836 176.600 0.024 0.000 0.988 1167 E CA 0.828 57.232 56.400 0.008 0.000 0.811 1167 E CB -0.354 29.354 29.700 0.014 0.000 0.746 1167 E HN 0.344 nan 8.360 nan 0.000 0.466 1168 L N 0.192 121.449 121.223 0.057 0.000 2.109 1168 L HA -0.121 4.219 4.340 -0.000 0.000 0.207 1168 L C 2.443 179.409 176.870 0.161 0.000 1.086 1168 L CA 1.024 55.947 54.840 0.139 0.000 0.760 1168 L CB -1.369 40.744 42.059 0.089 0.000 0.910 1168 L HN 0.191 nan 8.230 nan 0.000 0.437 1169 C N -0.470 118.865 119.300 0.058 0.000 2.440 1169 C HA -0.135 4.325 4.460 -0.000 0.000 0.278 1169 C C 2.715 177.722 174.990 0.029 0.000 1.295 1169 C CA 0.327 59.366 59.018 0.035 0.000 1.738 1169 C CB -0.567 27.151 27.740 -0.035 0.000 1.987 1169 C HN 0.473 nan 8.230 nan 0.000 0.492 1170 K N 1.151 121.550 120.400 -0.002 0.000 2.001 1170 K HA -0.169 4.151 4.320 -0.000 0.000 0.208 1170 K C 2.179 178.751 176.600 -0.046 0.000 1.048 1170 K CA 1.236 57.506 56.287 -0.028 0.000 0.932 1170 K CB -0.281 32.195 32.500 -0.041 0.000 0.715 1170 K HN 0.407 nan 8.250 nan 0.000 0.437 1171 K N 0.297 120.646 120.400 -0.085 0.000 2.103 1171 K HA -0.167 4.153 4.320 -0.000 0.000 0.207 1171 K C 0.793 177.165 176.600 -0.379 0.000 1.048 1171 K CA 1.510 57.643 56.287 -0.257 0.000 0.930 1171 K CB 0.043 32.324 32.500 -0.365 0.000 0.716 1171 K HN 0.167 nan 8.250 nan 0.000 0.444 1172 Y N 0.668 120.966 120.300 -0.003 0.000 2.658 1172 Y HA 0.192 4.742 4.550 -0.000 0.000 0.276 1172 Y C -0.031 175.879 175.900 0.017 0.000 1.167 1172 Y CA -0.930 57.176 58.100 0.011 0.000 1.230 1172 Y CB -0.054 38.416 38.460 0.016 0.000 1.144 1172 Y HN 0.002 nan 8.280 nan 0.000 0.529 1173 N N 2.051 120.805 118.700 0.090 0.000 2.365 1173 N HA -0.118 4.622 4.740 -0.000 0.000 0.265 1173 N C 0.703 176.266 175.510 0.088 0.000 1.288 1173 N CA 1.056 54.149 53.050 0.072 0.000 0.869 1173 N CB 0.409 38.911 38.487 0.026 0.000 1.071 1173 N HN 0.360 nan 8.380 nan 0.000 0.480 1174 Q N 0.185 120.049 119.800 0.108 0.000 2.224 1174 Q HA -0.293 4.047 4.340 -0.000 0.000 0.189 1174 Q C -0.153 175.916 176.000 0.116 0.000 0.639 1174 Q CA 1.377 57.246 55.803 0.111 0.000 1.436 1174 Q CB -1.205 27.588 28.738 0.091 0.000 1.626 1174 Q HN 0.779 nan 8.270 nan 0.000 0.768 1175 K N 1.287 121.767 120.400 0.134 0.000 3.006 1175 K HA 0.118 4.438 4.320 -0.000 0.000 0.262 1175 K C 0.686 177.382 176.600 0.159 0.000 1.289 1175 K CA 1.092 57.469 56.287 0.151 0.000 1.245 1175 K CB -0.349 32.267 32.500 0.193 0.000 1.614 1175 K HN 0.397 nan 8.250 nan 0.000 0.322 1176 T N -4.194 110.440 114.554 0.132 0.000 12.845 1176 T HA -0.210 4.140 4.350 -0.000 0.000 0.408 1176 T C 0.280 175.053 174.700 0.122 0.000 1.522 1176 T CA 0.742 62.914 62.100 0.121 0.000 2.486 1176 T CB -1.679 67.246 68.868 0.095 0.000 2.712 1176 T HN 0.038 nan 8.240 nan 0.000 0.626 1177 V N 4.475 124.462 119.914 0.122 0.000 2.409 1177 V HA 0.431 4.551 4.120 -0.000 0.000 0.270 1177 V C 2.063 178.221 176.094 0.106 0.000 1.019 1177 V CA 0.405 62.765 62.300 0.101 0.000 1.066 1177 V CB 0.733 32.615 31.823 0.099 0.000 1.021 1177 V HN 1.001 nan 8.190 nan 0.000 0.476 1178 V N 1.941 121.922 119.914 0.113 0.000 3.643 1178 V HA 0.794 4.914 4.120 -0.000 0.000 0.280 1178 V C 0.618 176.745 176.094 0.054 0.000 1.351 1178 V CA 0.763 63.144 62.300 0.136 0.000 1.073 1178 V CB -0.045 31.902 31.823 0.208 0.000 0.863 1178 V HN 0.912 nan 8.190 nan 0.000 0.436 1179 A N 0.127 122.942 122.820 -0.007 0.000 2.511 1179 A HA 0.800 5.120 4.320 -0.000 0.000 0.293 1179 A C -1.195 176.328 177.584 -0.103 0.000 1.098 1179 A CA -0.419 51.526 52.037 -0.153 0.000 0.643 1179 A CB 1.586 20.360 19.000 -0.377 0.000 1.302 1179 A HN 0.343 nan 8.150 nan 0.000 0.446 1180 M N 0.716 120.228 119.600 -0.146 0.000 2.535 1180 M HA 0.651 5.131 4.480 -0.000 0.000 0.314 1180 M C -1.670 174.627 176.300 -0.005 0.000 1.153 1180 M CA -0.328 54.897 55.300 -0.125 0.000 0.924 1180 M CB 1.926 34.364 32.600 -0.270 0.000 1.710 1180 M HN 0.895 nan 8.290 nan 0.000 0.451 1181 D N 2.452 122.898 120.400 0.076 0.000 2.552 1181 D HA 0.604 5.244 4.640 -0.000 0.000 0.239 1181 D C -2.132 174.333 176.300 0.275 0.000 1.139 1181 D CA -0.477 53.659 54.000 0.226 0.000 0.914 1181 D CB 2.108 43.018 40.800 0.184 0.000 1.461 1181 D HN 0.501 nan 8.370 nan 0.000 0.462 1182 L N 2.082 123.500 121.223 0.324 0.000 2.343 1182 L HA 0.879 5.219 4.340 -0.000 0.000 0.278 1182 L C -1.141 175.828 176.870 0.165 0.000 0.996 1182 L CA -0.237 54.707 54.840 0.172 0.000 0.831 1182 L CB 0.660 42.736 42.059 0.029 0.000 1.232 1182 L HN 0.572 nan 8.230 nan 0.000 0.413 1183 A N 2.858 125.669 122.820 -0.015 0.000 2.475 1183 A HA 1.046 5.366 4.320 -0.000 0.000 0.281 1183 A C 0.226 177.723 177.584 -0.146 0.000 1.263 1183 A CA -0.111 51.735 52.037 -0.318 0.000 0.776 1183 A CB 0.915 19.772 19.000 -0.237 0.000 1.347 1183 A HN 1.727 nan 8.150 nan 0.000 0.443 1184 G N -0.599 108.125 108.800 -0.127 0.000 2.416 1184 G HA2 0.115 4.075 3.960 -0.000 0.000 0.203 1184 G HA3 0.115 4.075 3.960 -0.000 0.000 0.203 1184 G C -0.945 173.988 174.900 0.055 0.000 1.227 1184 G CA 0.078 45.192 45.100 0.023 0.000 1.041 1184 G HN 1.039 nan 8.290 nan 0.000 0.546 1185 D N 0.805 121.262 120.400 0.094 0.000 2.344 1185 D HA 0.348 4.987 4.640 -0.000 0.000 0.253 1185 D C 1.330 177.655 176.300 0.042 0.000 1.255 1185 D CA 0.209 54.255 54.000 0.077 0.000 0.894 1185 D CB 1.028 41.870 40.800 0.070 0.000 1.067 1185 D HN 0.523 nan 8.370 nan 0.000 0.492 1186 E N 1.499 121.722 120.200 0.038 0.000 2.482 1186 E HA -0.108 4.242 4.350 -0.000 0.000 0.196 1186 E C 1.199 177.797 176.600 -0.004 0.000 1.047 1186 E CA 0.673 57.080 56.400 0.013 0.000 0.869 1186 E CB 0.358 30.079 29.700 0.036 0.000 0.836 1186 E HN 0.539 nan 8.360 nan 0.000 0.520 1187 T N -1.591 112.968 114.554 0.009 0.000 3.088 1187 T HA 0.095 4.445 4.350 -0.000 0.000 0.259 1187 T C 0.995 175.696 174.700 0.001 0.000 1.122 1187 T CA -0.173 61.927 62.100 -0.000 0.000 1.095 1187 T CB -0.215 68.656 68.868 0.006 0.000 0.930 1187 T HN 0.038 nan 8.240 nan 0.000 0.508 1188 I N 3.008 123.583 120.570 0.009 0.000 2.577 1188 I HA 0.052 4.221 4.170 -0.000 0.000 0.299 1188 I C 0.722 176.828 176.117 -0.018 0.000 1.157 1188 I CA -0.073 61.244 61.300 0.029 0.000 1.418 1188 I CB -0.070 37.975 38.000 0.074 0.000 1.467 1188 I HN 0.273 nan 8.210 nan 0.000 0.624 1189 E N 5.328 125.529 120.200 0.002 0.000 2.652 1189 E HA -0.103 4.247 4.350 -0.000 0.000 0.255 1189 E C 1.208 177.785 176.600 -0.039 0.000 0.952 1189 E CA 1.066 57.457 56.400 -0.015 0.000 0.947 1189 E CB 0.460 30.167 29.700 0.012 0.000 0.912 1189 E HN 0.933 nan 8.360 nan 0.000 0.489 1190 G N 3.198 111.934 108.800 -0.107 0.000 2.153 1190 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.252 1190 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.252 1190 G C 0.950 175.523 174.900 -0.545 0.000 0.994 1190 G CA 0.892 45.894 45.100 -0.164 0.000 0.698 1190 G HN 0.621 nan 8.290 nan 0.000 0.521 1191 S N -0.451 114.788 115.700 -0.768 0.000 2.423 1191 S HA -0.012 4.458 4.470 -0.000 0.000 0.231 1191 S C 2.303 176.469 174.600 -0.723 0.000 1.014 1191 S CA 1.749 59.098 58.200 -1.419 0.000 0.965 1191 S CB -0.230 62.569 63.200 -0.669 0.000 0.785 1191 S HN 0.710 nan 8.310 nan 0.000 0.495 1192 S N 2.036 117.504 115.700 -0.386 0.000 2.402 1192 S HA 0.119 4.589 4.470 -0.000 0.000 0.229 1192 S C 1.402 175.946 174.600 -0.094 0.000 1.021 1192 S CA 0.806 58.875 58.200 -0.217 0.000 0.974 1192 S CB -0.396 62.700 63.200 -0.173 0.000 0.800 1192 S HN 0.325 nan 8.310 nan 0.000 0.484 1193 L N 0.766 121.919 121.223 -0.117 0.000 2.554 1193 L HA 0.271 4.611 4.340 -0.000 0.000 0.226 1193 L C -0.144 176.821 176.870 0.159 0.000 1.137 1193 L CA 0.182 55.030 54.840 0.012 0.000 0.863 1193 L CB -1.020 41.045 42.059 0.011 0.000 0.985 1193 L HN 0.149 nan 8.230 nan 0.000 0.451 1194 F N 1.259 121.258 119.950 0.081 0.000 2.602 1194 F HA 0.068 4.594 4.527 -0.000 0.000 0.385 1194 F C -0.728 175.036 175.800 -0.060 0.000 1.063 1194 F CA -2.530 55.455 58.000 -0.025 0.000 1.233 1194 F CB -0.472 38.448 39.000 -0.133 0.000 1.067 1194 F HN -0.025 nan 8.300 nan 0.000 0.564 1195 P HA -0.221 nan 4.420 nan 0.000 0.219 1195 P C 1.774 179.089 177.300 0.025 0.000 1.161 1195 P CA 2.488 65.618 63.100 0.050 0.000 0.909 1195 P CB 0.022 31.724 31.700 0.003 0.000 0.793 1196 G N -1.390 107.373 108.800 -0.061 0.000 2.505 1196 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.220 1196 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.220 1196 G C 1.185 176.100 174.900 0.024 0.000 1.145 1196 G CA 1.457 46.510 45.100 -0.079 0.000 0.761 1196 G HN 0.406 nan 8.290 nan 0.000 0.571 1197 H N -0.714 118.441 119.070 0.142 0.000 2.299 1197 H HA 0.012 4.568 4.556 -0.000 0.000 0.302 1197 H C 2.802 178.262 175.328 0.220 0.000 1.078 1197 H CA 0.752 56.912 56.048 0.185 0.000 1.323 1197 H CB -0.011 29.826 29.762 0.124 0.000 1.381 1197 H HN 0.205 nan 8.280 nan 0.000 0.498 1198 V N 1.234 121.301 119.914 0.255 0.000 2.287 1198 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 1198 V C 2.081 178.274 176.094 0.166 0.000 1.053 1198 V CA 2.003 64.410 62.300 0.178 0.000 1.027 1198 V CB -0.422 31.467 31.823 0.111 0.000 0.646 1198 V HN 0.479 nan 8.190 nan 0.000 0.447 1199 E N -0.136 120.137 120.200 0.123 0.000 2.110 1199 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 1199 E C 2.321 178.973 176.600 0.086 0.000 0.988 1199 E CA 1.265 57.715 56.400 0.084 0.000 0.804 1199 E CB -0.280 29.451 29.700 0.052 0.000 0.745 1199 E HN 0.623 nan 8.360 nan 0.000 0.458 1200 A N 0.584 123.475 122.820 0.119 0.000 1.858 1200 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 1200 A C 1.875 179.455 177.584 -0.007 0.000 1.190 1200 A CA 1.286 53.356 52.037 0.056 0.000 0.617 1200 A CB -0.860 18.190 19.000 0.084 0.000 0.827 1200 A HN 0.252 nan 8.150 nan 0.000 0.443 1201 Y N 0.349 120.677 120.300 0.045 0.000 2.224 1201 Y HA -0.151 4.399 4.550 -0.000 0.000 0.289 1201 Y C 2.507 178.413 175.900 0.011 0.000 1.146 1201 Y CA 1.736 59.851 58.100 0.025 0.000 1.182 1201 Y CB -0.231 38.248 38.460 0.032 0.000 0.983 1201 Y HN 0.435 nan 8.280 nan 0.000 0.524 1202 E N -0.937 119.352 120.200 0.148 0.000 2.150 1202 E HA -0.142 4.207 4.350 -0.000 0.000 0.193 1202 E C 2.437 179.056 176.600 0.031 0.000 0.985 1202 E CA 0.869 57.317 56.400 0.079 0.000 0.814 1202 E CB -0.386 29.355 29.700 0.069 0.000 0.752 1202 E HN 0.555 nan 8.360 nan 0.000 0.466 1203 G N 0.910 109.719 108.800 0.014 0.000 2.464 1203 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.217 1203 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.217 1203 G C 1.618 176.489 174.900 -0.048 0.000 1.138 1203 G CA 0.620 45.711 45.100 -0.015 0.000 0.793 1203 G HN 0.303 nan 8.290 nan 0.000 0.539 1204 A N 0.241 123.015 122.820 -0.078 0.000 1.897 1204 A HA 0.175 4.494 4.320 -0.000 0.000 0.215 1204 A C 2.543 180.068 177.584 -0.098 0.000 1.181 1204 A CA 1.476 53.436 52.037 -0.129 0.000 0.620 1204 A CB -0.489 18.370 19.000 -0.235 0.000 0.821 1204 A HN 0.192 nan 8.150 nan 0.000 0.443 1205 V N 0.457 120.344 119.914 -0.046 0.000 2.295 1205 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 1205 V C 2.562 178.631 176.094 -0.041 0.000 1.049 1205 V CA 2.427 64.709 62.300 -0.031 0.000 1.024 1205 V CB -0.637 31.193 31.823 0.012 0.000 0.648 1205 V HN 0.736 nan 8.190 nan 0.000 0.447 1206 K N 0.467 120.849 120.400 -0.030 0.000 2.032 1206 K HA -0.178 4.142 4.320 -0.000 0.000 0.209 1206 K C 1.612 178.185 176.600 -0.045 0.000 1.048 1206 K CA 1.953 58.222 56.287 -0.029 0.000 0.927 1206 K CB -0.213 32.276 32.500 -0.019 0.000 0.712 1206 K HN 0.497 nan 8.250 nan 0.000 0.441 1207 N N -0.272 118.393 118.700 -0.059 0.000 2.322 1207 N HA 0.022 4.762 4.740 -0.000 0.000 0.194 1207 N C 0.312 175.765 175.510 -0.096 0.000 1.126 1207 N CA 0.758 53.768 53.050 -0.068 0.000 0.845 1207 N CB 0.893 39.343 38.487 -0.063 0.000 0.976 1207 N HN 0.505 nan 8.380 nan 0.000 0.475 1208 G N 1.387 110.115 108.800 -0.119 0.000 2.168 1208 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.257 1208 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.257 1208 G C 0.113 174.843 174.900 -0.284 0.000 0.997 1208 G CA -0.265 44.726 45.100 -0.183 0.000 0.708 1208 G HN 0.258 nan 8.290 nan 0.000 0.520 1209 I N 1.800 122.233 120.570 -0.228 0.000 2.436 1209 I HA 0.162 4.332 4.170 -0.000 0.000 0.289 1209 I C 1.225 177.153 176.117 -0.315 0.000 1.083 1209 I CA -0.748 60.408 61.300 -0.239 0.000 1.372 1209 I CB -0.536 37.360 38.000 -0.174 0.000 1.408 1209 I HN 0.160 nan 8.210 nan 0.000 0.516 1210 H N 6.398 125.277 119.070 -0.318 0.000 3.016 1210 H HA 0.129 4.685 4.556 -0.000 0.000 0.345 1210 H C 0.066 175.059 175.328 -0.558 0.000 1.066 1210 H CA 0.728 56.431 56.048 -0.576 0.000 1.390 1210 H CB 0.517 29.588 29.762 -1.153 0.000 1.344 1210 H HN 0.413 nan 8.280 nan 0.000 0.605 1211 R N 1.167 121.493 120.500 -0.289 0.000 2.621 1211 R HA 0.469 4.809 4.340 -0.000 0.000 0.292 1211 R C -0.802 175.620 176.300 0.203 0.000 0.969 1211 R CA -0.663 55.428 56.100 -0.016 0.000 0.887 1211 R CB 2.288 32.696 30.300 0.179 0.000 1.180 1211 R HN 0.575 nan 8.270 nan 0.000 0.450 1212 T N 1.148 115.881 114.554 0.298 0.000 2.883 1212 T HA 0.697 5.047 4.350 -0.000 0.000 0.301 1212 T C -1.578 173.312 174.700 0.318 0.000 1.158 1212 T CA -0.548 61.759 62.100 0.346 0.000 1.007 1212 T CB 1.541 70.665 68.868 0.427 0.000 1.186 1212 T HN 0.205 nan 8.240 nan 0.000 0.499 1213 V N 3.238 123.292 119.914 0.235 0.000 2.891 1213 V HA 0.364 4.484 4.120 -0.000 0.000 0.304 1213 V C -1.222 175.014 176.094 0.236 0.000 1.171 1213 V CA -1.009 61.420 62.300 0.217 0.000 0.943 1213 V CB 2.077 33.918 31.823 0.031 0.000 1.037 1213 V HN 1.019 nan 8.190 nan 0.000 0.427 1214 H N 2.683 121.873 119.070 0.201 0.000 2.848 1214 H HA 0.740 5.296 4.556 -0.000 0.000 0.317 1214 H C 0.301 175.724 175.328 0.159 0.000 1.046 1214 H CA 1.120 57.332 56.048 0.275 0.000 1.470 1214 H CB 1.077 31.037 29.762 0.329 0.000 1.483 1214 H HN 1.047 nan 8.280 nan 0.000 0.548 1215 A N 1.336 124.306 122.820 0.250 0.000 2.599 1215 A HA 0.526 4.846 4.320 -0.000 0.000 0.294 1215 A C 0.830 178.497 177.584 0.138 0.000 1.055 1215 A CA -0.341 51.785 52.037 0.148 0.000 0.683 1215 A CB 0.542 19.595 19.000 0.089 0.000 1.278 1215 A HN 1.063 nan 8.150 nan 0.000 0.412 1216 G N 0.090 108.966 108.800 0.127 0.000 2.166 1216 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.260 1216 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.260 1216 G C 0.782 175.825 174.900 0.239 0.000 0.986 1216 G CA 1.540 46.746 45.100 0.176 0.000 0.683 1216 G HN 1.229 nan 8.290 nan 0.000 0.527 1217 E N -0.945 119.351 120.200 0.160 0.000 2.014 1217 E HA 0.138 4.488 4.350 -0.000 0.000 0.190 1217 E C 2.169 178.910 176.600 0.235 0.000 0.980 1217 E CA 1.479 57.956 56.400 0.128 0.000 0.807 1217 E CB -0.056 29.555 29.700 -0.149 0.000 0.770 1217 E HN 0.534 nan 8.360 nan 0.000 0.451 1218 V N -0.099 119.856 119.914 0.068 0.000 3.612 1218 V HA 0.319 4.438 4.120 -0.000 0.000 0.268 1218 V C 0.708 176.699 176.094 -0.171 0.000 1.365 1218 V CA 0.565 62.846 62.300 -0.033 0.000 1.044 1218 V CB 1.032 32.852 31.823 -0.004 0.000 0.820 1218 V HN 0.336 nan 8.190 nan 0.000 0.444 1219 G N 0.288 109.025 108.800 -0.105 0.000 2.511 1219 G HA2 0.459 4.419 3.960 -0.000 0.000 0.316 1219 G HA3 0.459 4.419 3.960 -0.000 0.000 0.316 1219 G C 0.120 174.945 174.900 -0.126 0.000 1.210 1219 G CA 0.373 45.405 45.100 -0.113 0.000 0.969 1219 G HN 0.474 nan 8.290 nan 0.000 0.492 1220 S N 0.168 115.822 115.700 -0.076 0.000 2.587 1220 S HA 0.195 4.665 4.470 -0.000 0.000 0.260 1220 S C -1.219 173.409 174.600 0.046 0.000 1.353 1220 S CA -0.392 57.795 58.200 -0.021 0.000 0.995 1220 S CB 1.453 64.645 63.200 -0.013 0.000 0.912 1220 S HN 0.391 nan 8.310 nan 0.000 0.568 1221 P HA -0.036 nan 4.420 nan 0.000 0.226 1221 P C 1.002 178.345 177.300 0.071 0.000 1.153 1221 P CA 0.976 64.136 63.100 0.100 0.000 0.777 1221 P CB 0.023 31.787 31.700 0.106 0.000 0.794 1222 E N 0.402 120.629 120.200 0.044 0.000 2.268 1222 E HA -0.094 4.256 4.350 -0.000 0.000 0.195 1222 E C 1.770 178.380 176.600 0.017 0.000 0.995 1222 E CA 0.682 57.099 56.400 0.028 0.000 0.836 1222 E CB -0.884 28.825 29.700 0.015 0.000 0.763 1222 E HN -0.006 nan 8.360 nan 0.000 0.491 1223 V N -0.586 119.340 119.914 0.019 0.000 2.453 1223 V HA -0.183 3.936 4.120 -0.000 0.000 0.247 1223 V C 2.237 178.342 176.094 0.018 0.000 1.048 1223 V CA 1.323 63.625 62.300 0.005 0.000 1.049 1223 V CB -0.326 31.502 31.823 0.007 0.000 0.672 1223 V HN 0.166 nan 8.190 nan 0.000 0.457 1224 V N 0.726 120.672 119.914 0.054 0.000 2.358 1224 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 1224 V C 2.580 178.700 176.094 0.043 0.000 1.047 1224 V CA 2.380 64.722 62.300 0.069 0.000 1.035 1224 V CB -0.911 30.988 31.823 0.128 0.000 0.658 1224 V HN 0.552 nan 8.190 nan 0.000 0.452 1225 R N 0.508 121.034 120.500 0.044 0.000 2.096 1225 R HA -0.205 4.135 4.340 -0.000 0.000 0.235 1225 R C 2.199 178.501 176.300 0.003 0.000 1.127 1225 R CA 2.000 58.118 56.100 0.030 0.000 0.968 1225 R CB -0.267 30.054 30.300 0.035 0.000 0.861 1225 R HN 0.625 nan 8.270 nan 0.000 0.440 1226 E N 0.200 120.393 120.200 -0.011 0.000 2.058 1226 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 1226 E C 2.025 178.586 176.600 -0.064 0.000 0.997 1226 E CA 1.402 57.780 56.400 -0.037 0.000 0.801 1226 E CB -0.153 29.515 29.700 -0.053 0.000 0.746 1226 E HN 0.528 nan 8.360 nan 0.000 0.450 1227 A N 0.843 123.621 122.820 -0.070 0.000 1.873 1227 A HA -0.133 4.187 4.320 -0.000 0.000 0.215 1227 A C 2.500 180.043 177.584 -0.069 0.000 1.186 1227 A CA 1.204 53.177 52.037 -0.108 0.000 0.616 1227 A CB -0.612 18.344 19.000 -0.074 0.000 0.823 1227 A HN 0.105 nan 8.150 nan 0.000 0.442 1228 V N 0.451 120.349 119.914 -0.027 0.000 2.244 1228 V HA -0.207 3.913 4.120 -0.000 0.000 0.244 1228 V C 2.219 178.311 176.094 -0.003 0.000 1.042 1228 V CA 2.308 64.602 62.300 -0.009 0.000 1.006 1228 V CB -0.759 31.067 31.823 0.005 0.000 0.641 1228 V HN 0.485 nan 8.190 nan 0.000 0.446 1229 D N -0.382 120.017 120.400 -0.002 0.000 2.120 1229 D HA -0.041 4.599 4.640 -0.000 0.000 0.202 1229 D C 2.122 178.422 176.300 -0.000 0.000 0.972 1229 D CA 1.106 55.108 54.000 0.003 0.000 0.837 1229 D CB 0.023 40.828 40.800 0.008 0.000 0.989 1229 D HN 0.250 nan 8.370 nan 0.000 0.469 1230 I N 0.350 120.911 120.570 -0.015 0.000 2.270 1230 I HA -0.108 4.062 4.170 -0.000 0.000 0.239 1230 I C 2.101 178.204 176.117 -0.022 0.000 1.080 1230 I CA 0.488 61.779 61.300 -0.014 0.000 1.383 1230 I CB -0.790 37.197 38.000 -0.023 0.000 1.097 1230 I HN -0.007 nan 8.210 nan 0.000 0.420 1231 L N 1.044 122.213 121.223 -0.089 0.000 2.376 1231 L HA -0.037 4.302 4.340 -0.000 0.000 0.219 1231 L C 0.956 177.811 176.870 -0.025 0.000 1.133 1231 L CA 0.756 55.489 54.840 -0.177 0.000 0.816 1231 L CB -0.847 40.904 42.059 -0.514 0.000 0.933 1231 L HN 0.256 nan 8.230 nan 0.000 0.449 1232 K N -0.067 120.337 120.400 0.007 0.000 3.069 1232 K HA -0.190 4.130 4.320 -0.000 0.000 0.267 1232 K C 0.660 177.318 176.600 0.096 0.000 1.082 1232 K CA 1.069 57.390 56.287 0.057 0.000 0.782 1232 K CB -2.730 29.817 32.500 0.078 0.000 1.230 1232 K HN 0.603 nan 8.250 nan 0.000 0.488 1233 T N -2.083 112.517 114.554 0.076 0.000 2.855 1233 T HA 0.164 4.514 4.350 -0.000 0.000 0.314 1233 T C 1.353 176.126 174.700 0.121 0.000 1.077 1233 T CA 0.267 62.450 62.100 0.140 0.000 1.095 1233 T CB 1.021 69.959 68.868 0.116 0.000 0.987 1233 T HN 0.290 nan 8.240 nan 0.000 0.546 1234 E N 0.934 121.245 120.200 0.185 0.000 2.251 1234 E HA 0.134 4.484 4.350 -0.000 0.000 0.194 1234 E C 0.751 177.451 176.600 0.166 0.000 0.964 1234 E CA 0.251 56.772 56.400 0.202 0.000 0.868 1234 E CB 0.387 30.293 29.700 0.343 0.000 0.828 1234 E HN 0.516 nan 8.360 nan 0.000 0.481 1235 R N 0.714 121.336 120.500 0.204 0.000 2.795 1235 R HA 0.497 4.837 4.340 -0.000 0.000 0.275 1235 R C -1.193 175.143 176.300 0.060 0.000 0.981 1235 R CA -0.671 55.494 56.100 0.109 0.000 0.917 1235 R CB 2.718 33.102 30.300 0.139 0.000 1.202 1235 R HN -0.150 nan 8.270 nan 0.000 0.469 1236 V N 1.383 121.258 119.914 -0.065 0.000 2.357 1236 V HA 0.349 4.469 4.120 -0.000 0.000 0.284 1236 V C 0.479 176.565 176.094 -0.013 0.000 1.018 1236 V CA -0.757 61.511 62.300 -0.053 0.000 0.841 1236 V CB 1.552 33.277 31.823 -0.163 0.000 0.991 1236 V HN 0.941 nan 8.190 nan 0.000 0.437 1237 G N 3.500 112.305 108.800 0.008 0.000 2.360 1237 G HA2 0.467 4.427 3.960 -0.000 0.000 0.279 1237 G HA3 0.467 4.427 3.960 -0.000 0.000 0.279 1237 G C 0.342 175.127 174.900 -0.192 0.000 1.189 1237 G CA 0.443 45.435 45.100 -0.179 0.000 0.941 1237 G HN 0.947 nan 8.290 nan 0.000 0.445 1238 H N 2.045 120.933 119.070 -0.305 0.000 3.156 1238 H HA -0.287 4.269 4.556 -0.000 0.000 0.089 1238 H C 2.017 176.970 175.328 -0.624 0.000 0.625 1238 H CA 1.571 57.221 56.048 -0.662 0.000 1.582 1238 H CB -1.435 28.028 29.762 -0.499 0.000 1.776 1238 H HN 1.993 nan 8.280 nan 0.000 0.908 1239 G N 0.827 109.500 108.800 -0.212 0.000 2.176 1239 G HA2 -0.341 3.618 3.960 -0.000 0.000 0.252 1239 G HA3 -0.341 3.618 3.960 -0.000 0.000 0.252 1239 G C 0.453 175.353 174.900 0.001 0.000 1.024 1239 G CA 1.249 46.396 45.100 0.078 0.000 0.755 1239 G HN 0.529 nan 8.290 nan 0.000 0.507 1240 Y N -0.686 119.694 120.300 0.135 0.000 2.293 1240 Y HA 0.034 4.583 4.550 -0.000 0.000 0.291 1240 Y C 2.475 178.179 175.900 -0.328 0.000 1.137 1240 Y CA 1.627 59.618 58.100 -0.182 0.000 1.202 1240 Y CB -0.534 37.718 38.460 -0.348 0.000 0.990 1240 Y HN 0.546 nan 8.280 nan 0.000 0.537 1241 H N -1.216 117.915 119.070 0.102 0.000 2.547 1241 H HA 0.023 4.579 4.556 -0.000 0.000 0.266 1241 H C 1.799 177.149 175.328 0.036 0.000 0.988 1241 H CA 0.959 57.037 56.048 0.049 0.000 1.147 1241 H CB -0.126 29.668 29.762 0.055 0.000 1.365 1241 H HN 0.208 nan 8.280 nan 0.000 0.589 1242 T N 1.272 115.896 114.554 0.116 0.000 2.708 1242 T HA -0.157 4.192 4.350 -0.000 0.000 0.266 1242 T C 2.139 176.864 174.700 0.041 0.000 1.037 1242 T CA 1.476 63.664 62.100 0.148 0.000 1.146 1242 T CB -0.278 68.760 68.868 0.282 0.000 0.865 1242 T HN 0.584 nan 8.240 nan 0.000 0.435 1243 I N 0.544 121.011 120.570 -0.172 0.000 2.730 1243 I HA -0.174 3.995 4.170 -0.000 0.000 0.266 1243 I C 1.798 177.829 176.117 -0.144 0.000 1.228 1243 I CA 1.573 62.649 61.300 -0.374 0.000 1.445 1243 I CB -0.721 36.957 38.000 -0.537 0.000 1.102 1243 I HN 0.265 nan 8.210 nan 0.000 0.464 1244 E N 0.928 121.105 120.200 -0.038 0.000 2.358 1244 E HA -0.098 4.252 4.350 -0.000 0.000 0.195 1244 E C 0.184 176.808 176.600 0.039 0.000 1.010 1244 E CA 0.516 56.922 56.400 0.010 0.000 0.856 1244 E CB 0.019 29.750 29.700 0.052 0.000 0.795 1244 E HN 0.493 nan 8.360 nan 0.000 0.504 1245 D N 0.463 120.904 120.400 0.067 0.000 2.438 1245 D HA 0.029 4.668 4.640 -0.000 0.000 0.257 1245 D C 0.691 177.071 176.300 0.133 0.000 1.148 1245 D CA -0.208 53.844 54.000 0.088 0.000 0.902 1245 D CB 0.683 41.538 40.800 0.091 0.000 1.062 1245 D HN -0.247 nan 8.370 nan 0.000 0.518 1246 E N 2.289 122.562 120.200 0.122 0.000 2.114 1246 E HA -0.234 4.115 4.350 -0.000 0.000 0.199 1246 E C 1.692 178.387 176.600 0.157 0.000 1.008 1246 E CA 1.391 57.890 56.400 0.166 0.000 0.810 1246 E CB -0.149 29.620 29.700 0.115 0.000 0.739 1246 E HN 0.645 nan 8.360 nan 0.000 0.456 1247 A N 1.118 124.001 122.820 0.106 0.000 1.858 1247 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 1247 A C 2.326 179.964 177.584 0.091 0.000 1.190 1247 A CA 1.608 53.693 52.037 0.079 0.000 0.617 1247 A CB -0.806 18.230 19.000 0.059 0.000 0.827 1247 A HN 0.269 nan 8.150 nan 0.000 0.443 1248 L N -1.745 119.547 121.223 0.115 0.000 2.042 1248 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 1248 L C 2.337 179.319 176.870 0.185 0.000 1.076 1248 L CA 2.406 57.323 54.840 0.129 0.000 0.749 1248 L CB -0.733 41.407 42.059 0.135 0.000 0.893 1248 L HN 0.523 nan 8.230 nan 0.000 0.432 1249 Y N 0.780 121.136 120.300 0.093 0.000 2.089 1249 Y HA -0.282 4.268 4.550 -0.000 0.000 0.282 1249 Y C 2.342 178.306 175.900 0.106 0.000 1.139 1249 Y CA 2.285 60.454 58.100 0.115 0.000 1.123 1249 Y CB -0.824 37.689 38.460 0.088 0.000 0.980 1249 Y HN 0.397 nan 8.280 nan 0.000 0.493 1250 N N -0.315 118.305 118.700 -0.133 0.000 2.166 1250 N HA -0.185 4.555 4.740 -0.000 0.000 0.186 1250 N C 2.045 177.477 175.510 -0.130 0.000 1.019 1250 N CA 1.179 54.099 53.050 -0.218 0.000 0.856 1250 N CB -0.287 38.161 38.487 -0.065 0.000 0.993 1250 N HN 0.292 nan 8.380 nan 0.000 0.426 1251 R N 0.587 121.062 120.500 -0.042 0.000 2.081 1251 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 1251 R C 1.454 177.740 176.300 -0.023 0.000 1.131 1251 R CA 1.124 57.215 56.100 -0.016 0.000 0.960 1251 R CB -0.165 30.145 30.300 0.017 0.000 0.856 1251 R HN 0.129 nan 8.270 nan 0.000 0.436 1252 L N 0.658 121.878 121.223 -0.005 0.000 2.201 1252 L HA -0.091 4.249 4.340 -0.000 0.000 0.212 1252 L C 2.106 178.961 176.870 -0.024 0.000 1.105 1252 L CA 1.099 55.946 54.840 0.012 0.000 0.775 1252 L CB -0.681 41.451 42.059 0.122 0.000 0.913 1252 L HN 0.228 nan 8.230 nan 0.000 0.440 1253 L N -0.437 120.714 121.223 -0.120 0.000 2.056 1253 L HA -0.176 4.164 4.340 -0.000 0.000 0.207 1253 L C 2.551 179.374 176.870 -0.078 0.000 1.078 1253 L CA 1.626 56.378 54.840 -0.145 0.000 0.749 1253 L CB -0.646 41.203 42.059 -0.350 0.000 0.901 1253 L HN 0.238 nan 8.230 nan 0.000 0.433 1254 K N -0.257 120.100 120.400 -0.073 0.000 2.057 1254 K HA -0.191 4.129 4.320 -0.000 0.000 0.207 1254 K C 1.649 178.236 176.600 -0.022 0.000 1.049 1254 K CA 1.687 57.950 56.287 -0.040 0.000 0.931 1254 K CB -0.042 32.440 32.500 -0.032 0.000 0.714 1254 K HN 0.419 nan 8.250 nan 0.000 0.440 1255 E N 0.408 120.596 120.200 -0.021 0.000 2.511 1255 E HA -0.073 4.277 4.350 -0.000 0.000 0.196 1255 E C -0.191 176.403 176.600 -0.011 0.000 1.066 1255 E CA -0.041 56.352 56.400 -0.011 0.000 0.871 1255 E CB -0.198 29.495 29.700 -0.011 0.000 0.863 1255 E HN 0.369 nan 8.360 nan 0.000 0.520 1256 N N 1.063 119.754 118.700 -0.014 0.000 2.740 1256 N HA -0.193 4.547 4.740 -0.000 0.000 0.248 1256 N C -0.381 175.116 175.510 -0.022 0.000 1.062 1256 N CA -0.293 52.755 53.050 -0.003 0.000 0.704 1256 N CB -0.538 37.956 38.487 0.012 0.000 0.968 1256 N HN 0.096 nan 8.380 nan 0.000 0.547 1257 M N 1.482 121.035 119.600 -0.079 0.000 2.249 1257 M HA 0.038 4.518 4.480 -0.000 0.000 0.340 1257 M C 0.035 176.142 176.300 -0.322 0.000 1.166 1257 M CA 0.475 55.645 55.300 -0.216 0.000 1.115 1257 M CB 0.267 32.651 32.600 -0.359 0.000 1.606 1257 M HN 0.239 nan 8.290 nan 0.000 0.448 1258 H N 3.861 122.710 119.070 -0.367 0.000 2.552 1258 H HA 0.464 5.020 4.556 -0.000 0.000 0.311 1258 H C -1.660 173.408 175.328 -0.433 0.000 1.071 1258 H CA -0.390 55.490 56.048 -0.281 0.000 1.307 1258 H CB 0.364 30.041 29.762 -0.141 0.000 1.416 1258 H HN 0.597 nan 8.280 nan 0.000 0.464 1259 F N 3.328 123.001 119.950 -0.462 0.000 2.385 1259 F HA 0.201 4.728 4.527 -0.000 0.000 0.360 1259 F C 0.307 175.987 175.800 -0.198 0.000 1.122 1259 F CA -0.770 57.062 58.000 -0.281 0.000 1.090 1259 F CB 1.185 39.938 39.000 -0.412 0.000 1.150 1259 F HN 0.574 nan 8.300 nan 0.000 0.472 1260 E N 3.078 123.334 120.200 0.093 0.000 1.865 1260 E HA 0.240 4.589 4.350 -0.000 0.000 0.269 1260 E C -0.672 175.902 176.600 -0.042 0.000 1.177 1260 E CA -0.360 56.093 56.400 0.089 0.000 0.932 1260 E CB 0.587 30.309 29.700 0.038 0.000 1.066 1260 E HN 0.294 nan 8.360 nan 0.000 0.405 1261 V N 2.866 122.884 119.914 0.173 0.000 2.530 1261 V HA 0.070 4.190 4.120 -0.000 0.000 0.282 1261 V C 0.053 176.262 176.094 0.192 0.000 1.048 1261 V CA -0.664 61.805 62.300 0.281 0.000 0.997 1261 V CB 0.992 33.057 31.823 0.404 0.000 0.987 1261 V HN 0.781 nan 8.190 nan 0.000 0.477 1262 C N 6.717 126.169 119.300 0.253 0.000 2.647 1262 C HA 0.340 4.800 4.460 -0.000 0.000 0.273 1262 C C -1.136 173.912 174.990 0.097 0.000 1.088 1262 C CA -0.984 58.138 59.018 0.173 0.000 1.529 1262 C CB 0.466 28.329 27.740 0.205 0.000 1.810 1262 C HN 0.679 nan 8.230 nan 0.000 0.422 1263 P HA -0.176 nan 4.420 nan 0.000 0.213 1263 P C 1.801 179.055 177.300 -0.077 0.000 1.170 1263 P CA 1.433 64.350 63.100 -0.305 0.000 0.902 1263 P CB 0.055 31.494 31.700 -0.435 0.000 0.789 1264 W N 0.269 121.443 121.300 -0.210 0.000 2.354 1264 W HA -0.215 4.445 4.660 -0.000 0.000 0.315 1264 W C 2.522 178.893 176.519 -0.247 0.000 1.206 1264 W CA 1.634 58.883 57.345 -0.159 0.000 1.290 1264 W CB -0.648 28.735 29.460 -0.128 0.000 1.152 1264 W HN -0.024 nan 8.180 nan 0.000 0.489 1265 S N 0.831 116.257 115.700 -0.457 0.000 2.368 1265 S HA -0.308 4.162 4.470 -0.000 0.000 0.226 1265 S C 2.119 176.447 174.600 -0.453 0.000 1.044 1265 S CA 3.023 60.631 58.200 -0.987 0.000 1.062 1265 S CB -1.042 61.892 63.200 -0.443 0.000 0.931 1265 S HN 0.440 nan 8.310 nan 0.000 0.440 1266 S N -0.349 115.279 115.700 -0.120 0.000 2.420 1266 S HA -0.206 4.264 4.470 -0.000 0.000 0.237 1266 S C 1.708 176.363 174.600 0.091 0.000 1.023 1266 S CA 1.448 59.630 58.200 -0.029 0.000 0.991 1266 S CB -0.973 62.074 63.200 -0.255 0.000 0.792 1266 S HN 0.756 nan 8.310 nan 0.000 0.488 1267 Y N 2.081 122.362 120.300 -0.030 0.000 2.109 1267 Y HA 0.085 4.635 4.550 -0.000 0.000 0.281 1267 Y C 2.113 177.889 175.900 -0.207 0.000 1.113 1267 Y CA 1.145 59.248 58.100 0.005 0.000 1.098 1267 Y CB -0.804 37.666 38.460 0.016 0.000 0.996 1267 Y HN 0.159 nan 8.280 nan 0.000 0.485 1268 L N 0.541 121.503 121.223 -0.435 0.000 2.089 1268 L HA -0.239 4.100 4.340 -0.000 0.000 0.213 1268 L C 2.601 179.369 176.870 -0.169 0.000 1.079 1268 L CA 2.593 57.202 54.840 -0.386 0.000 0.758 1268 L CB -2.195 39.704 42.059 -0.268 0.000 0.891 1268 L HN 0.611 nan 8.230 nan 0.000 0.433 1269 T N -4.205 110.276 114.554 -0.120 0.000 3.088 1269 T HA 0.223 4.573 4.350 -0.000 0.000 0.259 1269 T C 1.513 176.185 174.700 -0.047 0.000 1.122 1269 T CA 0.675 62.763 62.100 -0.021 0.000 1.095 1269 T CB -0.028 68.816 68.868 -0.041 0.000 0.930 1269 T HN 0.467 nan 8.240 nan 0.000 0.508 1270 G N 0.749 109.481 108.800 -0.113 0.000 2.159 1270 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.256 1270 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.256 1270 G C 1.063 175.954 174.900 -0.015 0.000 0.977 1270 G CA 0.151 45.184 45.100 -0.111 0.000 0.652 1270 G HN 1.108 nan 8.290 nan 0.000 0.531 1271 A N -1.284 121.564 122.820 0.047 0.000 2.121 1271 A HA 0.333 4.653 4.320 -0.000 0.000 0.218 1271 A C 0.933 178.660 177.584 0.238 0.000 1.154 1271 A CA 1.706 53.850 52.037 0.179 0.000 0.679 1271 A CB -0.134 18.976 19.000 0.184 0.000 0.795 1271 A HN 1.423 nan 8.150 nan 0.000 0.458 1272 W N 0.596 121.833 121.300 -0.105 0.000 2.538 1272 W HA 0.496 5.155 4.660 -0.000 0.000 0.322 1272 W C -1.375 175.094 176.519 -0.082 0.000 1.028 1272 W CA -1.820 55.411 57.345 -0.191 0.000 1.228 1272 W CB 0.933 30.203 29.460 -0.318 0.000 1.356 1272 W HN 0.036 nan 8.180 nan 0.000 0.452 1273 D N 8.500 128.635 120.400 -0.442 0.000 2.346 1273 D HA 0.072 4.712 4.640 -0.000 0.000 0.260 1273 D C -1.067 174.583 176.300 -1.084 0.000 1.252 1273 D CA -1.477 52.210 54.000 -0.521 0.000 0.895 1273 D CB 1.842 42.491 40.800 -0.251 0.000 1.097 1273 D HN 0.259 nan 8.370 nan 0.000 0.489 1274 P HA -0.142 nan 4.420 nan 0.000 0.223 1274 P C 0.452 177.423 177.300 -0.549 0.000 1.144 1274 P CA 0.879 63.223 63.100 -1.260 0.000 0.783 1274 P CB 0.273 31.648 31.700 -0.541 0.000 0.771 1275 K N 0.069 120.257 120.400 -0.353 0.000 2.487 1275 K HA 0.074 4.394 4.320 -0.000 0.000 0.192 1275 K C 0.768 177.314 176.600 -0.089 0.000 1.027 1275 K CA 0.410 56.602 56.287 -0.159 0.000 1.054 1275 K CB -0.114 32.313 32.500 -0.122 0.000 0.824 1275 K HN 0.293 nan 8.250 nan 0.000 0.510 1276 T N -2.046 112.454 114.554 -0.090 0.000 2.863 1276 T HA 0.129 4.478 4.350 -0.000 0.000 0.285 1276 T C -0.028 174.837 174.700 0.274 0.000 1.009 1276 T CA -0.843 61.286 62.100 0.048 0.000 0.989 1276 T CB 1.873 70.747 68.868 0.011 0.000 1.004 1276 T HN -0.084 nan 8.240 nan 0.000 0.455 1277 T N 2.507 117.161 114.554 0.167 0.000 2.908 1277 T HA -0.002 4.348 4.350 -0.000 0.000 0.301 1277 T C 0.357 175.130 174.700 0.121 0.000 1.019 1277 T CA -0.097 62.096 62.100 0.153 0.000 1.152 1277 T CB -0.416 68.472 68.868 0.033 0.000 0.966 1277 T HN 0.687 nan 8.240 nan 0.000 0.540 1278 H N 3.757 122.754 119.070 -0.122 0.000 2.928 1278 H HA 0.158 4.714 4.556 -0.000 0.000 0.338 1278 H C 1.424 176.442 175.328 -0.516 0.000 1.047 1278 H CA 0.475 56.168 56.048 -0.591 0.000 1.435 1278 H CB 0.895 30.033 29.762 -1.040 0.000 1.428 1278 H HN 0.894 nan 8.280 nan 0.000 0.590 1279 A N 5.016 127.424 122.820 -0.686 0.000 1.986 1279 A HA -0.172 4.148 4.320 -0.000 0.000 0.220 1279 A C 2.536 179.491 177.584 -1.049 0.000 1.171 1279 A CA 1.573 53.142 52.037 -0.779 0.000 0.640 1279 A CB -0.745 17.773 19.000 -0.804 0.000 0.811 1279 A HN 0.579 nan 8.150 nan 0.000 0.451 1280 V N -0.221 119.316 119.914 -0.628 0.000 2.568 1280 V HA -0.196 3.923 4.120 -0.000 0.000 0.253 1280 V C 2.369 178.242 176.094 -0.368 0.000 1.072 1280 V CA 2.188 64.123 62.300 -0.608 0.000 1.084 1280 V CB -0.340 31.288 31.823 -0.325 0.000 0.676 1280 V HN 0.376 nan 8.190 nan 0.000 0.469 1281 V N 0.224 119.987 119.914 -0.251 0.000 2.427 1281 V HA -0.196 3.924 4.120 -0.000 0.000 0.248 1281 V C 2.548 178.536 176.094 -0.176 0.000 1.051 1281 V CA 2.279 64.501 62.300 -0.129 0.000 1.048 1281 V CB -0.849 30.922 31.823 -0.087 0.000 0.666 1281 V HN 0.578 nan 8.190 nan 0.000 0.456 1282 R N 0.138 120.473 120.500 -0.274 0.000 2.066 1282 R HA -0.100 4.240 4.340 -0.000 0.000 0.232 1282 R C 2.071 178.365 176.300 -0.011 0.000 1.131 1282 R CA 1.769 57.762 56.100 -0.178 0.000 0.955 1282 R CB -0.675 29.447 30.300 -0.297 0.000 0.851 1282 R HN 0.344 nan 8.270 nan 0.000 0.432 1283 F N 1.519 121.356 119.950 -0.187 0.000 2.091 1283 F HA -0.182 4.345 4.527 -0.000 0.000 0.299 1283 F C 2.226 177.977 175.800 -0.082 0.000 1.103 1283 F CA 1.682 59.575 58.000 -0.178 0.000 1.228 1283 F CB -1.210 37.480 39.000 -0.517 0.000 0.984 1283 F HN 0.165 nan 8.300 nan 0.000 0.477 1284 K N 0.321 120.739 120.400 0.029 0.000 2.009 1284 K HA -0.229 4.091 4.320 -0.000 0.000 0.210 1284 K C 1.924 178.509 176.600 -0.026 0.000 1.049 1284 K CA 1.894 58.175 56.287 -0.010 0.000 0.929 1284 K CB -0.205 32.107 32.500 -0.312 0.000 0.714 1284 K HN 0.099 nan 8.250 nan 0.000 0.440 1285 N N 1.395 120.068 118.700 -0.045 0.000 2.149 1285 N HA -0.138 4.602 4.740 -0.000 0.000 0.188 1285 N C 0.750 176.273 175.510 0.022 0.000 1.019 1285 N CA 1.384 54.417 53.050 -0.029 0.000 0.857 1285 N CB -0.295 38.173 38.487 -0.031 0.000 0.997 1285 N HN 0.313 nan 8.380 nan 0.000 0.426 1286 D N 0.918 121.365 120.400 0.079 0.000 2.336 1286 D HA 0.003 4.643 4.640 -0.000 0.000 0.229 1286 D C 0.131 176.479 176.300 0.080 0.000 1.061 1286 D CA 0.153 54.211 54.000 0.095 0.000 0.875 1286 D CB 0.134 41.037 40.800 0.172 0.000 0.904 1286 D HN 0.008 nan 8.370 nan 0.000 0.525 1287 K N -0.055 120.393 120.400 0.079 0.000 3.077 1287 K HA -0.187 4.133 4.320 -0.000 0.000 0.264 1287 K C 0.158 176.820 176.600 0.103 0.000 1.008 1287 K CA 0.464 56.795 56.287 0.073 0.000 0.740 1287 K CB -2.173 30.345 32.500 0.030 0.000 1.273 1287 K HN 0.297 nan 8.250 nan 0.000 0.477 1288 A N 0.932 123.856 122.820 0.174 0.000 2.327 1288 A HA 0.205 4.525 4.320 -0.000 0.000 0.255 1288 A C 0.551 178.256 177.584 0.203 0.000 1.099 1288 A CA -0.098 52.038 52.037 0.164 0.000 0.801 1288 A CB 0.248 19.317 19.000 0.114 0.000 1.062 1288 A HN 0.458 nan 8.150 nan 0.000 0.496 1289 N N 0.214 118.995 118.700 0.134 0.000 2.469 1289 N HA 0.479 5.218 4.740 -0.000 0.000 0.239 1289 N C -1.302 174.180 175.510 -0.047 0.000 1.053 1289 N CA -0.225 52.861 53.050 0.060 0.000 0.937 1289 N CB 0.251 38.775 38.487 0.062 0.000 1.163 1289 N HN 0.610 nan 8.380 nan 0.000 0.509 1290 Y N 0.544 120.712 120.300 -0.220 0.000 2.655 1290 Y HA 0.621 5.171 4.550 -0.000 0.000 0.336 1290 Y C -1.376 174.469 175.900 -0.093 0.000 1.154 1290 Y CA -1.191 56.684 58.100 -0.374 0.000 1.055 1290 Y CB 0.763 39.170 38.460 -0.089 0.000 1.295 1290 Y HN 0.232 nan 8.280 nan 0.000 0.465 1291 S N 1.347 117.114 115.700 0.113 0.000 2.569 1291 S HA 0.697 5.167 4.470 -0.000 0.000 0.280 1291 S C -1.877 172.884 174.600 0.269 0.000 1.111 1291 S CA -0.803 57.511 58.200 0.190 0.000 0.887 1291 S CB 1.981 65.382 63.200 0.336 0.000 1.095 1291 S HN 0.676 nan 8.310 nan 0.000 0.476 1292 L N 2.746 124.076 121.223 0.178 0.000 2.265 1292 L HA 0.540 4.880 4.340 -0.000 0.000 0.288 1292 L C -0.333 176.653 176.870 0.193 0.000 1.058 1292 L CA 0.171 55.077 54.840 0.109 0.000 0.809 1292 L CB 0.239 42.165 42.059 -0.222 0.000 1.179 1292 L HN 0.836 nan 8.230 nan 0.000 0.429 1293 N N 0.784 119.597 118.700 0.188 0.000 2.321 1293 N HA 0.413 5.153 4.740 -0.000 0.000 0.290 1293 N C 0.390 176.052 175.510 0.252 0.000 1.212 1293 N CA -0.616 52.577 53.050 0.238 0.000 0.767 1293 N CB 1.773 40.416 38.487 0.259 0.000 1.494 1293 N HN 0.429 nan 8.380 nan 0.000 0.479 1294 T N -0.613 114.122 114.554 0.301 0.000 3.009 1294 T HA -0.029 4.321 4.350 -0.000 0.000 0.258 1294 T C 0.482 175.454 174.700 0.453 0.000 1.063 1294 T CA 0.979 63.282 62.100 0.338 0.000 1.139 1294 T CB -0.359 68.694 68.868 0.308 0.000 0.890 1294 T HN 0.719 nan 8.240 nan 0.000 0.471 1295 D N 0.756 121.461 120.400 0.509 0.000 4.365 1295 D HA -0.156 4.484 4.640 -0.000 0.000 0.198 1295 D C -0.698 175.992 176.300 0.650 0.000 0.997 1295 D CA 2.172 56.566 54.000 0.657 0.000 2.182 1295 D CB -1.169 40.028 40.800 0.662 0.000 1.147 1295 D HN 0.525 nan 8.370 nan 0.000 0.409 1296 D N -0.065 120.751 120.400 0.694 0.000 2.363 1296 D HA 0.347 4.987 4.640 -0.000 0.000 0.258 1296 D C -2.092 174.460 176.300 0.420 0.000 1.259 1296 D CA -1.013 53.266 54.000 0.466 0.000 0.921 1296 D CB 1.894 42.857 40.800 0.271 0.000 1.201 1296 D HN 0.084 nan 8.370 nan 0.000 0.524 1297 P HA -0.183 nan 4.420 nan 0.000 0.215 1297 P C 1.534 178.960 177.300 0.210 0.000 1.153 1297 P CA 0.303 63.596 63.100 0.322 0.000 0.853 1297 P CB 0.400 32.245 31.700 0.243 0.000 0.788 1298 L N -0.260 121.029 121.223 0.109 0.000 1.955 1298 L HA -0.172 4.168 4.340 -0.000 0.000 0.213 1298 L C 2.215 179.060 176.870 -0.042 0.000 1.072 1298 L CA 1.999 56.830 54.840 -0.015 0.000 0.755 1298 L CB -1.350 40.625 42.059 -0.140 0.000 0.888 1298 L HN -0.137 nan 8.230 nan 0.000 0.432 1299 I N -1.368 119.126 120.570 -0.126 0.000 2.493 1299 I HA -0.245 3.924 4.170 -0.000 0.000 0.254 1299 I C 1.342 177.407 176.117 -0.087 0.000 1.160 1299 I CA 0.903 62.087 61.300 -0.192 0.000 1.445 1299 I CB -0.255 37.530 38.000 -0.358 0.000 1.086 1299 I HN 0.189 nan 8.210 nan 0.000 0.433 1300 F N 1.046 121.134 119.950 0.231 0.000 2.727 1300 F HA 0.202 4.729 4.527 -0.000 0.000 0.302 1300 F C 0.756 176.783 175.800 0.378 0.000 1.097 1300 F CA -0.699 57.460 58.000 0.265 0.000 1.330 1300 F CB -0.488 38.676 39.000 0.273 0.000 1.084 1300 F HN -0.118 nan 8.300 nan 0.000 0.578 1301 K N 1.722 122.348 120.400 0.377 0.000 3.689 1301 K HA -0.179 4.141 4.320 -0.000 0.000 0.276 1301 K C 0.024 176.807 176.600 0.304 0.000 0.932 1301 K CA 0.735 57.188 56.287 0.277 0.000 0.758 1301 K CB -1.959 30.686 32.500 0.243 0.000 1.500 1301 K HN 0.449 nan 8.250 nan 0.000 0.448 1302 S N -1.540 114.332 115.700 0.286 0.000 2.705 1302 S HA 0.754 5.224 4.470 -0.000 0.000 0.280 1302 S C -0.210 174.468 174.600 0.130 0.000 1.174 1302 S CA -0.235 58.082 58.200 0.194 0.000 0.823 1302 S CB 2.700 66.089 63.200 0.315 0.000 1.162 1302 S HN 0.359 nan 8.310 nan 0.000 0.487 1303 T N -1.693 112.896 114.554 0.058 0.000 2.804 1303 T HA 0.593 4.943 4.350 -0.000 0.000 0.290 1303 T C 0.481 175.200 174.700 0.032 0.000 1.099 1303 T CA -0.749 61.368 62.100 0.030 0.000 1.011 1303 T CB 0.724 69.575 68.868 -0.029 0.000 1.291 1303 T HN 0.466 nan 8.240 nan 0.000 0.523 1304 L N 0.846 122.073 121.223 0.007 0.000 2.191 1304 L HA 0.070 4.410 4.340 -0.000 0.000 0.212 1304 L C 1.945 178.811 176.870 -0.007 0.000 1.103 1304 L CA 1.875 56.730 54.840 0.024 0.000 0.769 1304 L CB -1.149 40.877 42.059 -0.056 0.000 0.908 1304 L HN 0.921 nan 8.230 nan 0.000 0.438 1305 D N -2.034 118.316 120.400 -0.084 0.000 2.264 1305 D HA -0.143 4.497 4.640 -0.000 0.000 0.208 1305 D C 1.875 178.131 176.300 -0.073 0.000 0.966 1305 D CA 1.206 55.148 54.000 -0.097 0.000 0.864 1305 D CB 0.281 41.011 40.800 -0.116 0.000 0.933 1305 D HN 0.317 nan 8.370 nan 0.000 0.499 1306 T N -0.038 114.455 114.554 -0.102 0.000 2.674 1306 T HA -0.145 4.205 4.350 -0.000 0.000 0.265 1306 T C 1.359 175.939 174.700 -0.199 0.000 1.039 1306 T CA 1.410 63.370 62.100 -0.234 0.000 1.150 1306 T CB -0.297 68.365 68.868 -0.344 0.000 0.864 1306 T HN 0.267 nan 8.240 nan 0.000 0.427 1307 D N 0.083 120.450 120.400 -0.056 0.000 2.117 1307 D HA -0.080 4.560 4.640 -0.000 0.000 0.198 1307 D C 1.972 178.203 176.300 -0.115 0.000 0.982 1307 D CA 1.151 55.120 54.000 -0.053 0.000 0.828 1307 D CB -0.191 40.634 40.800 0.042 0.000 0.967 1307 D HN 0.395 nan 8.370 nan 0.000 0.464 1308 Y N 1.708 121.877 120.300 -0.220 0.000 2.200 1308 Y HA -0.125 4.425 4.550 -0.000 0.000 0.290 1308 Y C 2.740 178.543 175.900 -0.161 0.000 1.137 1308 Y CA 0.778 58.700 58.100 -0.296 0.000 1.163 1308 Y CB -0.337 37.831 38.460 -0.486 0.000 0.988 1308 Y HN -0.093 nan 8.280 nan 0.000 0.518 1309 Q N -0.262 119.535 119.800 -0.005 0.000 2.020 1309 Q HA -0.250 4.090 4.340 -0.000 0.000 0.202 1309 Q C 2.488 178.431 176.000 -0.094 0.000 0.982 1309 Q CA 1.711 57.492 55.803 -0.036 0.000 0.838 1309 Q CB -0.727 27.958 28.738 -0.087 0.000 0.899 1309 Q HN 0.567 nan 8.270 nan 0.000 0.423 1310 M N 0.850 120.345 119.600 -0.175 0.000 2.088 1310 M HA -0.220 4.260 4.480 -0.000 0.000 0.256 1310 M C 2.156 178.298 176.300 -0.262 0.000 1.071 1310 M CA 2.570 57.737 55.300 -0.222 0.000 1.097 1310 M CB -0.349 32.098 32.600 -0.255 0.000 1.315 1310 M HN 0.343 nan 8.290 nan 0.000 0.406 1311 T N -2.000 112.328 114.554 -0.377 0.000 2.995 1311 T HA -0.120 4.230 4.350 -0.000 0.000 0.269 1311 T C 1.755 176.232 174.700 -0.373 0.000 1.091 1311 T CA 1.393 63.098 62.100 -0.658 0.000 1.128 1311 T CB -0.352 67.786 68.868 -1.216 0.000 0.891 1311 T HN 0.530 nan 8.240 nan 0.000 0.492 1312 K N 1.220 121.585 120.400 -0.059 0.000 2.044 1312 K HA 0.001 4.321 4.320 -0.000 0.000 0.204 1312 K C 2.224 178.855 176.600 0.053 0.000 1.045 1312 K CA 0.684 57.044 56.287 0.122 0.000 0.951 1312 K CB -0.032 32.624 32.500 0.259 0.000 0.738 1312 K HN 0.302 nan 8.250 nan 0.000 0.443 1313 K N 0.816 121.218 120.400 0.004 0.000 1.965 1313 K HA -0.082 4.238 4.320 -0.000 0.000 0.214 1313 K C 0.559 177.152 176.600 -0.010 0.000 1.046 1313 K CA 1.477 57.761 56.287 -0.006 0.000 0.944 1313 K CB -0.241 32.240 32.500 -0.031 0.000 0.726 1313 K HN 0.275 nan 8.250 nan 0.000 0.441 1314 D N -0.408 119.969 120.400 -0.040 0.000 2.387 1314 D HA 0.135 4.775 4.640 -0.000 0.000 0.251 1314 D C 1.018 177.296 176.300 -0.038 0.000 1.141 1314 D CA -0.056 53.926 54.000 -0.029 0.000 0.987 1314 D CB 1.179 41.959 40.800 -0.034 0.000 1.116 1314 D HN 0.151 nan 8.370 nan 0.000 0.491 1315 M N -0.926 118.671 119.600 -0.004 0.000 2.884 1315 M HA -0.254 4.226 4.480 -0.000 0.000 0.174 1315 M C 1.009 177.428 176.300 0.198 0.000 0.656 1315 M CA 1.340 56.678 55.300 0.065 0.000 0.665 1315 M CB -1.652 30.911 32.600 -0.062 0.000 2.408 1315 M HN 0.772 nan 8.290 nan 0.000 0.274 1316 G N 1.169 110.054 108.800 0.142 0.000 2.333 1316 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.296 1316 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.296 1316 G C -0.402 174.579 174.900 0.134 0.000 1.059 1316 G CA 0.199 45.366 45.100 0.110 0.000 1.050 1316 G HN 0.383 nan 8.290 nan 0.000 0.508 1317 F N 1.166 121.006 119.950 -0.182 0.000 2.412 1317 F HA 0.569 5.095 4.527 -0.000 0.000 0.348 1317 F C 1.452 176.994 175.800 -0.431 0.000 1.102 1317 F CA -0.258 57.513 58.000 -0.382 0.000 1.196 1317 F CB 1.266 39.933 39.000 -0.554 0.000 1.144 1317 F HN 0.303 nan 8.300 nan 0.000 0.541 1318 T N -1.232 113.086 114.554 -0.393 0.000 2.936 1318 T HA 0.250 4.600 4.350 -0.000 0.000 0.282 1318 T C 0.991 175.465 174.700 -0.377 0.000 1.003 1318 T CA -0.703 61.232 62.100 -0.274 0.000 1.005 1318 T CB 1.426 70.169 68.868 -0.209 0.000 1.097 1318 T HN 0.736 nan 8.240 nan 0.000 0.532 1319 E N 0.105 120.264 120.200 -0.067 0.000 2.153 1319 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 1319 E C 1.817 178.388 176.600 -0.049 0.000 0.988 1319 E CA 1.210 57.689 56.400 0.132 0.000 0.811 1319 E CB -0.023 29.811 29.700 0.223 0.000 0.746 1319 E HN 0.843 nan 8.360 nan 0.000 0.466 1320 E N 0.239 120.366 120.200 -0.121 0.000 2.058 1320 E HA -0.266 4.083 4.350 -0.000 0.000 0.194 1320 E C 1.966 178.433 176.600 -0.221 0.000 0.997 1320 E CA 1.564 57.876 56.400 -0.146 0.000 0.801 1320 E CB -0.001 29.620 29.700 -0.130 0.000 0.746 1320 E HN 0.140 nan 8.360 nan 0.000 0.450 1321 E N -0.266 119.732 120.200 -0.337 0.000 2.110 1321 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 1321 E C 1.601 178.003 176.600 -0.331 0.000 0.988 1321 E CA 1.187 57.352 56.400 -0.390 0.000 0.804 1321 E CB -0.227 29.117 29.700 -0.592 0.000 0.745 1321 E HN 0.223 nan 8.360 nan 0.000 0.458 1322 F N 0.982 120.735 119.950 -0.327 0.000 2.146 1322 F HA -0.001 4.526 4.527 -0.000 0.000 0.298 1322 F C 2.094 177.551 175.800 -0.571 0.000 1.096 1322 F CA 1.078 58.728 58.000 -0.583 0.000 1.275 1322 F CB -0.535 37.741 39.000 -1.207 0.000 1.008 1322 F HN 0.014 nan 8.300 nan 0.000 0.480 1323 K N 0.003 120.207 120.400 -0.325 0.000 2.002 1323 K HA -0.195 4.125 4.320 -0.000 0.000 0.209 1323 K C 2.303 178.863 176.600 -0.067 0.000 1.048 1323 K CA 1.469 57.586 56.287 -0.284 0.000 0.930 1323 K CB -0.324 31.940 32.500 -0.394 0.000 0.714 1323 K HN 0.099 nan 8.250 nan 0.000 0.438 1324 R N 1.659 122.095 120.500 -0.107 0.000 2.083 1324 R HA -0.153 4.186 4.340 -0.000 0.000 0.237 1324 R C 2.413 178.670 176.300 -0.072 0.000 1.137 1324 R CA 1.397 57.455 56.100 -0.070 0.000 0.951 1324 R CB -0.457 29.783 30.300 -0.100 0.000 0.851 1324 R HN 0.268 nan 8.270 nan 0.000 0.434 1325 L N 0.896 122.036 121.223 -0.139 0.000 2.013 1325 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 1325 L C 1.317 178.157 176.870 -0.050 0.000 1.073 1325 L CA 2.345 57.055 54.840 -0.217 0.000 0.753 1325 L CB -0.437 41.479 42.059 -0.238 0.000 0.890 1325 L HN 0.323 nan 8.230 nan 0.000 0.432 1326 N N -0.213 118.527 118.700 0.067 0.000 2.331 1326 N HA -0.093 4.647 4.740 -0.000 0.000 0.180 1326 N C 1.815 177.418 175.510 0.155 0.000 1.019 1326 N CA 1.315 54.470 53.050 0.174 0.000 0.881 1326 N CB -0.091 38.593 38.487 0.328 0.000 0.972 1326 N HN 0.363 nan 8.380 nan 0.000 0.435 1327 I N 0.723 121.378 120.570 0.142 0.000 2.252 1327 I HA -0.205 3.965 4.170 -0.000 0.000 0.245 1327 I C 1.711 177.881 176.117 0.087 0.000 1.102 1327 I CA 0.781 62.154 61.300 0.121 0.000 1.385 1327 I CB -0.162 37.910 38.000 0.121 0.000 1.064 1327 I HN 0.167 nan 8.210 nan 0.000 0.414 1328 N N 1.039 119.775 118.700 0.060 0.000 2.166 1328 N HA -0.123 4.617 4.740 -0.000 0.000 0.186 1328 N C 1.866 177.427 175.510 0.085 0.000 1.019 1328 N CA 1.539 54.627 53.050 0.062 0.000 0.856 1328 N CB -0.295 38.206 38.487 0.023 0.000 0.993 1328 N HN 0.356 nan 8.380 nan 0.000 0.426 1329 A N 0.598 123.477 122.820 0.097 0.000 1.930 1329 A HA 0.060 4.380 4.320 -0.000 0.000 0.217 1329 A C 2.321 179.906 177.584 0.001 0.000 1.175 1329 A CA 1.756 53.836 52.037 0.072 0.000 0.627 1329 A CB -0.701 18.378 19.000 0.131 0.000 0.815 1329 A HN 0.308 nan 8.150 nan 0.000 0.443 1330 A N 0.139 122.982 122.820 0.039 0.000 1.855 1330 A HA -0.143 4.177 4.320 -0.000 0.000 0.215 1330 A C 2.078 179.635 177.584 -0.045 0.000 1.191 1330 A CA 1.702 53.742 52.037 0.004 0.000 0.613 1330 A CB -0.447 18.570 19.000 0.029 0.000 0.829 1330 A HN 0.510 nan 8.150 nan 0.000 0.442 1331 K N 0.219 120.610 120.400 -0.014 0.000 2.283 1331 K HA -0.021 4.299 4.320 -0.000 0.000 0.202 1331 K C 1.590 178.150 176.600 -0.066 0.000 1.048 1331 K CA 1.346 57.620 56.287 -0.022 0.000 0.948 1331 K CB -0.071 32.440 32.500 0.018 0.000 0.742 1331 K HN 0.413 nan 8.250 nan 0.000 0.458 1332 S N 0.845 116.467 115.700 -0.130 0.000 2.556 1332 S HA 0.004 4.474 4.470 -0.000 0.000 0.216 1332 S C 0.529 174.872 174.600 -0.429 0.000 0.970 1332 S CA -0.293 57.749 58.200 -0.264 0.000 0.912 1332 S CB 0.195 63.145 63.200 -0.417 0.000 0.790 1332 S HN 0.322 nan 8.310 nan 0.000 0.504 1333 S N 1.298 116.817 115.700 -0.301 0.000 2.573 1333 S HA 0.200 4.670 4.470 -0.000 0.000 0.277 1333 S C 0.040 174.460 174.600 -0.299 0.000 1.346 1333 S CA -0.311 57.720 58.200 -0.281 0.000 1.034 1333 S CB -0.102 63.062 63.200 -0.061 0.000 0.879 1333 S HN 0.191 nan 8.310 nan 0.000 0.528 1334 F N 0.648 120.510 119.950 -0.147 0.000 2.696 1334 F HA 0.389 4.916 4.527 -0.000 0.000 0.296 1334 F C 0.365 176.014 175.800 -0.252 0.000 1.181 1334 F CA -0.969 56.772 58.000 -0.431 0.000 1.411 1334 F CB -0.938 37.793 39.000 -0.449 0.000 1.014 1334 F HN 0.356 nan 8.300 nan 0.000 0.512 1335 L N 1.535 122.754 121.223 -0.007 0.000 2.395 1335 L HA 0.430 4.770 4.340 -0.000 0.000 0.269 1335 L C -2.097 174.771 176.870 -0.005 0.000 1.133 1335 L CA -2.409 52.413 54.840 -0.029 0.000 0.812 1335 L CB 0.321 42.241 42.059 -0.232 0.000 1.125 1335 L HN -0.130 nan 8.230 nan 0.000 0.452 1336 P HA 0.102 nan 4.420 nan 0.000 0.272 1336 P C 0.291 177.595 177.300 0.006 0.000 1.223 1336 P CA -0.303 62.823 63.100 0.043 0.000 0.784 1336 P CB 0.519 32.245 31.700 0.043 0.000 0.923 1337 E N 1.651 121.862 120.200 0.019 0.000 2.086 1337 E HA -0.251 4.099 4.350 -0.000 0.000 0.200 1337 E C 1.485 178.076 176.600 -0.015 0.000 1.012 1337 E CA 1.907 58.308 56.400 0.002 0.000 0.812 1337 E CB -0.344 29.363 29.700 0.012 0.000 0.743 1337 E HN 0.563 nan 8.360 nan 0.000 0.453 1338 E N 0.837 121.031 120.200 -0.010 0.000 2.077 1338 E HA -0.163 4.186 4.350 -0.000 0.000 0.193 1338 E C 2.012 178.594 176.600 -0.030 0.000 0.989 1338 E CA 1.274 57.665 56.400 -0.016 0.000 0.800 1338 E CB -0.303 29.393 29.700 -0.007 0.000 0.746 1338 E HN 0.394 nan 8.360 nan 0.000 0.452 1339 E N 0.672 120.850 120.200 -0.038 0.000 2.152 1339 E HA -0.132 4.218 4.350 -0.000 0.000 0.192 1339 E C 1.955 178.485 176.600 -0.116 0.000 0.983 1339 E CA 0.709 57.069 56.400 -0.066 0.000 0.818 1339 E CB -0.057 29.607 29.700 -0.060 0.000 0.758 1339 E HN 0.161 nan 8.360 nan 0.000 0.467 1340 K N 1.512 121.846 120.400 -0.111 0.000 2.097 1340 K HA -0.144 4.176 4.320 -0.000 0.000 0.205 1340 K C 1.930 178.478 176.600 -0.087 0.000 1.050 1340 K CA 1.024 57.233 56.287 -0.131 0.000 0.938 1340 K CB 0.203 32.648 32.500 -0.093 0.000 0.718 1340 K HN -0.092 nan 8.250 nan 0.000 0.442 1341 K N 0.872 121.237 120.400 -0.058 0.000 2.009 1341 K HA -0.184 4.135 4.320 -0.000 0.000 0.210 1341 K C 2.011 178.587 176.600 -0.041 0.000 1.049 1341 K CA 1.942 58.203 56.287 -0.042 0.000 0.929 1341 K CB -0.235 32.244 32.500 -0.036 0.000 0.714 1341 K HN 0.332 nan 8.250 nan 0.000 0.440 1342 E N 1.213 121.386 120.200 -0.045 0.000 2.130 1342 E HA -0.196 4.154 4.350 -0.000 0.000 0.196 1342 E C 2.114 178.689 176.600 -0.042 0.000 0.998 1342 E CA 0.817 57.194 56.400 -0.038 0.000 0.806 1342 E CB -0.155 29.523 29.700 -0.037 0.000 0.738 1342 E HN 0.217 nan 8.360 nan 0.000 0.459 1343 L N 0.673 121.852 121.223 -0.073 0.000 2.017 1343 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 1343 L C 2.284 179.134 176.870 -0.033 0.000 1.073 1343 L CA 1.270 56.062 54.840 -0.081 0.000 0.745 1343 L CB -0.154 41.801 42.059 -0.173 0.000 0.894 1343 L HN 0.222 nan 8.230 nan 0.000 0.432 1344 L N -0.425 120.797 121.223 -0.002 0.000 2.093 1344 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 1344 L C 2.485 179.439 176.870 0.140 0.000 1.085 1344 L CA 1.147 56.045 54.840 0.097 0.000 0.755 1344 L CB -0.421 41.695 42.059 0.095 0.000 0.904 1344 L HN 0.291 nan 8.230 nan 0.000 0.435 1345 E N -0.186 120.042 120.200 0.046 0.000 2.031 1345 E HA -0.251 4.098 4.350 -0.000 0.000 0.193 1345 E C 2.354 178.978 176.600 0.041 0.000 0.994 1345 E CA 0.999 57.423 56.400 0.040 0.000 0.800 1345 E CB -0.052 29.649 29.700 0.001 0.000 0.752 1345 E HN 0.286 nan 8.360 nan 0.000 0.447 1346 R N 0.686 121.183 120.500 -0.004 0.000 2.083 1346 R HA -0.176 4.164 4.340 -0.000 0.000 0.237 1346 R C 2.487 178.723 176.300 -0.108 0.000 1.137 1346 R CA 1.179 57.256 56.100 -0.038 0.000 0.951 1346 R CB -0.344 29.932 30.300 -0.041 0.000 0.851 1346 R HN 0.185 nan 8.270 nan 0.000 0.434 1347 L N -0.670 120.455 121.223 -0.163 0.000 1.970 1347 L HA -0.249 4.091 4.340 -0.000 0.000 0.212 1347 L C 2.423 179.005 176.870 -0.480 0.000 1.071 1347 L CA 1.691 56.245 54.840 -0.477 0.000 0.751 1347 L CB -0.758 41.060 42.059 -0.402 0.000 0.889 1347 L HN 0.253 nan 8.230 nan 0.000 0.432 1348 Y N -0.197 120.001 120.300 -0.169 0.000 2.207 1348 Y HA -0.283 4.267 4.550 -0.000 0.000 0.287 1348 Y C 2.899 178.809 175.900 0.016 0.000 1.156 1348 Y CA 1.642 59.739 58.100 -0.006 0.000 1.182 1348 Y CB -0.301 38.172 38.460 0.021 0.000 0.979 1348 Y HN 0.092 nan 8.280 nan 0.000 0.521 1349 R N 0.634 121.199 120.500 0.110 0.000 2.066 1349 R HA -0.169 4.171 4.340 -0.000 0.000 0.232 1349 R C 1.622 177.948 176.300 0.045 0.000 1.131 1349 R CA 1.936 58.078 56.100 0.070 0.000 0.955 1349 R CB -0.188 30.133 30.300 0.035 0.000 0.851 1349 R HN 0.385 nan 8.270 nan 0.000 0.432 1350 E N -0.885 119.307 120.200 -0.014 0.000 2.481 1350 E HA -0.114 4.236 4.350 -0.000 0.000 0.195 1350 E C 0.977 177.657 176.600 0.134 0.000 1.047 1350 E CA 0.261 56.664 56.400 0.006 0.000 0.867 1350 E CB 0.227 29.895 29.700 -0.054 0.000 0.858 1350 E HN 0.385 nan 8.360 nan 0.000 0.513 1351 Y N 0.903 121.199 120.300 -0.007 0.000 2.517 1351 Y HA 0.078 4.628 4.550 -0.000 0.000 0.281 1351 Y C 1.306 177.206 175.900 -0.000 0.000 1.125 1351 Y CA 0.240 58.330 58.100 -0.016 0.000 1.283 1351 Y CB 0.059 38.481 38.460 -0.062 0.000 1.042 1351 Y HN -0.033 nan 8.280 nan 0.000 0.547 1352 Q N 0.000 119.903 119.800 0.172 0.000 2.315 1352 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 1352 Q CA 0.000 55.871 55.803 0.114 0.000 1.022 1352 Q CB 0.000 28.802 28.738 0.107 0.000 1.108 1352 Q HN 0.000 nan 8.270 nan 0.000 0.481