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 2oxf_1_A DATA FIRST_RESID 1004 DATA SEQUENCE SDVFHLGLTK NDLQGAQLAI VPGDPERVEK IAALMDKPVK LASHREFTSW DATA SEQUENCE RAELDGKAVI VCSTGIGGPS TSIAVEELAQ LGIRTFLRIG TTGAIQPHIN DATA SEQUENCE VGDVLVTTAS VRLDGASLHF APMEFPAVAD FACTTALVEA AKSIGATTHV DATA SEQUENCE GVTASSDTFY PGQERYDTYS GRVVRRFKGS MEEWQAMGVM NYEMESATLL DATA SEQUENCE TMCASQGLRA GMVAGVIVNR TQQEIPNAET MKQTESHAVK IVVEAARRLL 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1004 S C 0.000 174.574 174.600 -0.043 0.000 1.055 1004 S CA 0.000 58.176 58.200 -0.041 0.000 1.107 1004 S CB 0.000 63.160 63.200 -0.066 0.000 0.593 1005 D N -0.115 120.251 120.400 -0.057 0.000 2.440 1005 D HA 0.369 5.009 4.640 -0.000 0.000 0.216 1005 D C 0.704 176.925 176.300 -0.132 0.000 1.150 1005 D CA 0.076 54.031 54.000 -0.075 0.000 0.832 1005 D CB 0.498 41.260 40.800 -0.064 0.000 0.992 1005 D HN 0.892 nan 8.370 nan 0.000 0.502 1006 V N -3.399 116.437 119.914 -0.130 0.000 2.962 1006 V HA 0.452 4.572 4.120 -0.000 0.000 0.313 1006 V C 0.631 176.669 176.094 -0.093 0.000 1.099 1006 V CA -1.052 61.127 62.300 -0.202 0.000 0.971 1006 V CB 1.403 33.134 31.823 -0.153 0.000 1.028 1006 V HN -0.216 nan 8.190 nan 0.000 0.430 1007 F N 1.139 121.057 119.950 -0.053 0.000 2.126 1007 F HA -0.025 4.502 4.527 -0.000 0.000 0.299 1007 F C 2.145 177.760 175.800 -0.308 0.000 1.096 1007 F CA 2.751 60.654 58.000 -0.161 0.000 1.255 1007 F CB -0.895 38.034 39.000 -0.119 0.000 0.997 1007 F HN 0.776 nan 8.300 nan 0.000 0.479 1008 H N -2.361 116.750 119.070 0.068 0.000 2.657 1008 H HA 0.277 4.833 4.556 -0.000 0.000 0.262 1008 H C 1.975 177.262 175.328 -0.069 0.000 0.965 1008 H CA 0.232 56.285 56.048 0.008 0.000 1.184 1008 H CB -0.195 29.548 29.762 -0.031 0.000 1.443 1008 H HN 0.011 nan 8.280 nan 0.000 0.462 1009 L N -0.032 121.168 121.223 -0.039 0.000 2.376 1009 L HA 0.108 4.448 4.340 -0.000 0.000 0.219 1009 L C 1.094 177.947 176.870 -0.028 0.000 1.133 1009 L CA 0.754 55.580 54.840 -0.024 0.000 0.816 1009 L CB -0.267 41.749 42.059 -0.071 0.000 0.933 1009 L HN 0.549 nan 8.230 nan 0.000 0.449 1010 G N 1.172 109.858 108.800 -0.189 0.000 2.273 1010 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.280 1010 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.280 1010 G C -0.118 174.746 174.900 -0.060 0.000 1.047 1010 G CA 0.091 45.021 45.100 -0.284 0.000 0.869 1010 G HN 0.255 nan 8.290 nan 0.000 0.502 1011 L N 0.017 121.215 121.223 -0.041 0.000 2.341 1011 L HA 0.791 5.130 4.340 -0.000 0.000 0.267 1011 L C 0.892 177.744 176.870 -0.031 0.000 1.009 1011 L CA -0.613 54.219 54.840 -0.014 0.000 0.819 1011 L CB 2.234 44.292 42.059 -0.001 0.000 1.323 1011 L HN 0.344 nan 8.230 nan 0.000 0.425 1012 T N -2.967 111.573 114.554 -0.023 0.000 2.944 1012 T HA 0.274 4.624 4.350 -0.000 0.000 0.284 1012 T C 0.707 175.392 174.700 -0.026 0.000 1.010 1012 T CA -0.779 61.304 62.100 -0.028 0.000 1.025 1012 T CB 2.092 70.947 68.868 -0.022 0.000 1.079 1012 T HN 0.639 nan 8.240 nan 0.000 0.516 1013 K N 0.338 120.721 120.400 -0.029 0.000 2.097 1013 K HA -0.155 4.165 4.320 -0.000 0.000 0.206 1013 K C 2.153 178.740 176.600 -0.021 0.000 1.049 1013 K CA 1.236 57.507 56.287 -0.026 0.000 0.933 1013 K CB -0.220 32.264 32.500 -0.027 0.000 0.717 1013 K HN 0.702 nan 8.250 nan 0.000 0.442 1014 N N 0.737 119.425 118.700 -0.019 0.000 2.289 1014 N HA -0.166 4.574 4.740 -0.000 0.000 0.184 1014 N C 0.817 176.317 175.510 -0.016 0.000 1.016 1014 N CA 1.120 54.159 53.050 -0.017 0.000 0.872 1014 N CB -0.000 38.477 38.487 -0.016 0.000 0.973 1014 N HN 0.205 nan 8.380 nan 0.000 0.433 1015 D N 0.858 121.248 120.400 -0.016 0.000 2.158 1015 D HA -0.144 4.496 4.640 -0.000 0.000 0.197 1015 D C 1.815 178.107 176.300 -0.013 0.000 0.995 1015 D CA 0.718 54.708 54.000 -0.016 0.000 0.846 1015 D CB -0.116 40.676 40.800 -0.013 0.000 0.941 1015 D HN 0.279 nan 8.370 nan 0.000 0.456 1016 L N 0.482 121.697 121.223 -0.014 0.000 2.376 1016 L HA -0.027 4.313 4.340 -0.000 0.000 0.219 1016 L C 0.756 177.617 176.870 -0.014 0.000 1.133 1016 L CA 0.627 55.459 54.840 -0.013 0.000 0.816 1016 L CB -0.314 41.733 42.059 -0.021 0.000 0.933 1016 L HN -0.016 nan 8.230 nan 0.000 0.449 1017 Q N -0.304 119.488 119.800 -0.014 0.000 2.475 1017 Q HA -0.267 4.073 4.340 -0.000 0.000 0.280 1017 Q C 1.198 177.189 176.000 -0.015 0.000 1.234 1017 Q CA 0.874 56.669 55.803 -0.013 0.000 0.873 1017 Q CB -2.347 26.385 28.738 -0.009 0.000 1.256 1017 Q HN 0.667 nan 8.270 nan 0.000 0.475 1018 G N -1.702 107.086 108.800 -0.019 0.000 2.159 1018 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.256 1018 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.256 1018 G C 0.371 175.254 174.900 -0.029 0.000 0.977 1018 G CA 0.479 45.566 45.100 -0.022 0.000 0.652 1018 G HN 1.252 nan 8.290 nan 0.000 0.531 1019 A N -0.478 122.323 122.820 -0.031 0.000 2.531 1019 A HA 0.566 4.886 4.320 -0.000 0.000 0.236 1019 A C 1.014 178.558 177.584 -0.066 0.000 1.062 1019 A CA 1.401 53.412 52.037 -0.043 0.000 0.760 1019 A CB 0.215 19.191 19.000 -0.039 0.000 0.995 1019 A HN 0.617 nan 8.150 nan 0.000 0.501 1020 Q N 0.619 120.370 119.800 -0.081 0.000 2.140 1020 Q HA 0.331 4.671 4.340 -0.000 0.000 0.227 1020 Q C -0.652 175.249 176.000 -0.165 0.000 0.798 1020 Q CA -0.033 55.705 55.803 -0.109 0.000 0.987 1020 Q CB 0.781 29.476 28.738 -0.072 0.000 1.161 1020 Q HN 0.715 nan 8.270 nan 0.000 0.480 1021 L N 0.686 121.814 121.223 -0.158 0.000 2.386 1021 L HA 0.850 5.189 4.340 -0.000 0.000 0.271 1021 L C -1.679 175.070 176.870 -0.202 0.000 0.993 1021 L CA -0.657 54.066 54.840 -0.194 0.000 0.819 1021 L CB 1.639 43.631 42.059 -0.112 0.000 1.294 1021 L HN -0.056 nan 8.230 nan 0.000 0.414 1022 A N 5.718 128.365 122.820 -0.289 0.000 2.371 1022 A HA 0.723 5.043 4.320 -0.000 0.000 0.311 1022 A C -0.959 176.586 177.584 -0.065 0.000 1.068 1022 A CA -0.586 51.349 52.037 -0.171 0.000 0.744 1022 A CB 1.107 19.981 19.000 -0.209 0.000 1.239 1022 A HN 0.673 nan 8.150 nan 0.000 0.435 1023 I N 2.471 123.039 120.570 -0.002 0.000 2.331 1023 I HA 0.381 4.551 4.170 -0.000 0.000 0.292 1023 I C -0.253 175.906 176.117 0.071 0.000 0.998 1023 I CA -0.663 60.657 61.300 0.033 0.000 1.267 1023 I CB 1.732 39.741 38.000 0.015 0.000 1.386 1023 I HN 0.455 nan 8.210 nan 0.000 0.476 1024 V N 5.442 125.414 119.914 0.097 0.000 2.320 1024 V HA 0.474 4.594 4.120 -0.000 0.000 0.268 1024 V C -2.504 173.640 176.094 0.082 0.000 1.021 1024 V CA -1.805 60.566 62.300 0.118 0.000 0.813 1024 V CB 0.417 32.347 31.823 0.178 0.000 1.054 1024 V HN 0.483 nan 8.190 nan 0.000 0.444 1025 P HA 0.285 nan 4.420 nan 0.000 0.276 1025 P C 1.001 178.328 177.300 0.047 0.000 1.261 1025 P CA 0.346 63.469 63.100 0.039 0.000 0.800 1025 P CB 1.847 33.557 31.700 0.017 0.000 1.066 1026 G N -0.115 108.702 108.800 0.028 0.000 2.396 1026 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.214 1026 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.214 1026 G C 0.309 175.214 174.900 0.007 0.000 1.166 1026 G CA 0.538 45.651 45.100 0.022 0.000 0.793 1026 G HN 0.520 nan 8.290 nan 0.000 0.533 1027 D N 0.159 120.558 120.400 -0.002 0.000 2.274 1027 D HA 0.272 4.912 4.640 -0.000 0.000 0.239 1027 D C -1.220 175.077 176.300 -0.006 0.000 1.104 1027 D CA -2.460 51.531 54.000 -0.016 0.000 0.840 1027 D CB 2.293 43.078 40.800 -0.024 0.000 1.100 1027 D HN -0.030 nan 8.370 nan 0.000 0.477 1028 P HA -0.150 nan 4.420 nan 0.000 0.218 1028 P C 0.978 178.282 177.300 0.006 0.000 1.148 1028 P CA 0.811 63.926 63.100 0.026 0.000 0.822 1028 P CB 0.522 32.240 31.700 0.030 0.000 0.784 1029 E N -0.375 119.816 120.200 -0.014 0.000 2.265 1029 E HA -0.178 4.172 4.350 -0.000 0.000 0.196 1029 E C 2.171 178.734 176.600 -0.062 0.000 0.996 1029 E CA 0.594 56.975 56.400 -0.030 0.000 0.832 1029 E CB -0.129 29.554 29.700 -0.029 0.000 0.756 1029 E HN 0.201 nan 8.360 nan 0.000 0.491 1030 R N 0.241 120.706 120.500 -0.058 0.000 2.240 1030 R HA -0.025 4.315 4.340 -0.000 0.000 0.203 1030 R C 2.058 178.285 176.300 -0.122 0.000 1.011 1030 R CA 0.192 56.245 56.100 -0.078 0.000 1.007 1030 R CB 0.233 30.503 30.300 -0.050 0.000 0.911 1030 R HN -0.056 nan 8.270 nan 0.000 0.468 1031 V N 1.189 121.028 119.914 -0.125 0.000 2.233 1031 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 1031 V C 2.251 178.060 176.094 -0.473 0.000 1.050 1031 V CA 2.349 64.535 62.300 -0.189 0.000 1.010 1031 V CB -0.577 31.210 31.823 -0.061 0.000 0.637 1031 V HN 0.485 nan 8.190 nan 0.000 0.444 1032 E N 0.338 120.108 120.200 -0.716 0.000 2.085 1032 E HA -0.275 4.075 4.350 -0.000 0.000 0.194 1032 E C 2.221 178.442 176.600 -0.633 0.000 0.994 1032 E CA 1.531 57.231 56.400 -1.168 0.000 0.801 1032 E CB -0.068 29.044 29.700 -0.981 0.000 0.743 1032 E HN 0.634 nan 8.360 nan 0.000 0.453 1033 K N 0.104 120.285 120.400 -0.365 0.000 2.097 1033 K HA -0.134 4.185 4.320 -0.000 0.000 0.206 1033 K C 2.207 178.695 176.600 -0.186 0.000 1.049 1033 K CA 1.429 57.581 56.287 -0.226 0.000 0.933 1033 K CB -0.136 32.272 32.500 -0.154 0.000 0.717 1033 K HN 0.270 nan 8.250 nan 0.000 0.442 1034 I N 1.127 121.585 120.570 -0.186 0.000 2.286 1034 I HA -0.196 3.974 4.170 -0.000 0.000 0.245 1034 I C 2.534 178.578 176.117 -0.122 0.000 1.104 1034 I CA 0.865 62.092 61.300 -0.123 0.000 1.397 1034 I CB -0.356 37.590 38.000 -0.090 0.000 1.072 1034 I HN 0.116 nan 8.210 nan 0.000 0.417 1035 A N 0.758 123.463 122.820 -0.192 0.000 2.019 1035 A HA -0.096 4.224 4.320 -0.000 0.000 0.219 1035 A C 2.471 180.004 177.584 -0.084 0.000 1.164 1035 A CA 1.653 53.621 52.037 -0.114 0.000 0.644 1035 A CB -0.641 18.280 19.000 -0.130 0.000 0.805 1035 A HN 0.430 nan 8.150 nan 0.000 0.449 1036 A N -0.356 122.373 122.820 -0.153 0.000 2.014 1036 A HA 0.090 4.410 4.320 -0.000 0.000 0.218 1036 A C 1.954 179.511 177.584 -0.045 0.000 1.163 1036 A CA 1.016 52.999 52.037 -0.089 0.000 0.652 1036 A CB -0.454 18.473 19.000 -0.122 0.000 0.808 1036 A HN 0.461 nan 8.150 nan 0.000 0.449 1037 L N -1.099 120.094 121.223 -0.050 0.000 2.353 1037 L HA -0.061 4.279 4.340 -0.000 0.000 0.220 1037 L C 1.190 178.053 176.870 -0.012 0.000 1.133 1037 L CA 0.534 55.358 54.840 -0.028 0.000 0.798 1037 L CB -0.491 41.551 42.059 -0.028 0.000 0.922 1037 L HN 0.480 nan 8.230 nan 0.000 0.445 1038 M N -1.485 118.112 119.600 -0.005 0.000 2.823 1038 M HA 0.269 4.748 4.480 -0.000 0.000 0.282 1038 M C -0.534 175.779 176.300 0.021 0.000 1.177 1038 M CA -0.876 54.429 55.300 0.008 0.000 0.871 1038 M CB 0.908 33.516 32.600 0.013 0.000 1.595 1038 M HN -0.206 nan 8.290 nan 0.000 0.524 1039 D N 1.506 121.921 120.400 0.024 0.000 2.302 1039 D HA 0.148 4.788 4.640 -0.000 0.000 0.248 1039 D C -0.227 176.100 176.300 0.045 0.000 1.094 1039 D CA 0.117 54.134 54.000 0.029 0.000 0.897 1039 D CB 0.668 41.480 40.800 0.020 0.000 1.200 1039 D HN 0.337 nan 8.370 nan 0.000 0.429 1040 K N 0.263 120.693 120.400 0.050 0.000 3.257 1040 K HA -0.111 4.209 4.320 -0.000 0.000 0.270 1040 K C -2.369 174.291 176.600 0.099 0.000 0.984 1040 K CA 0.148 56.471 56.287 0.060 0.000 0.739 1040 K CB -1.665 30.859 32.500 0.040 0.000 1.351 1040 K HN 0.463 nan 8.250 nan 0.000 0.463 1041 P HA 0.094 nan 4.420 nan 0.000 0.267 1041 P C -0.205 177.284 177.300 0.315 0.000 1.209 1041 P CA 0.003 63.272 63.100 0.282 0.000 0.763 1041 P CB 0.842 32.711 31.700 0.282 0.000 0.816 1042 V N 4.559 124.614 119.914 0.237 0.000 2.577 1042 V HA 0.250 4.370 4.120 -0.000 0.000 0.303 1042 V C 0.443 176.250 176.094 -0.478 0.000 1.042 1042 V CA -0.909 61.335 62.300 -0.094 0.000 0.872 1042 V CB 2.036 33.818 31.823 -0.068 0.000 0.998 1042 V HN 0.464 nan 8.190 nan 0.000 0.423 1043 K N 4.017 123.681 120.400 -1.226 0.000 2.379 1043 K HA 0.374 4.694 4.320 -0.000 0.000 0.284 1043 K C 0.307 176.508 176.600 -0.665 0.000 1.044 1043 K CA -0.199 55.107 56.287 -1.634 0.000 0.974 1043 K CB 0.732 32.215 32.500 -1.695 0.000 0.962 1043 K HN 0.658 nan 8.250 nan 0.000 0.474 1044 L N 2.858 123.819 121.223 -0.437 0.000 2.189 1044 L HA 0.280 4.620 4.340 -0.000 0.000 0.199 1044 L C 0.658 177.458 176.870 -0.116 0.000 1.074 1044 L CA 0.395 55.125 54.840 -0.184 0.000 0.783 1044 L CB 0.060 42.079 42.059 -0.067 0.000 0.955 1044 L HN 0.796 nan 8.230 nan 0.000 0.460 1045 A N -1.363 121.411 122.820 -0.077 0.000 2.566 1045 A HA 0.622 4.941 4.320 -0.000 0.000 0.290 1045 A C -1.170 176.424 177.584 0.016 0.000 1.071 1045 A CA -0.294 51.751 52.037 0.013 0.000 0.658 1045 A CB 1.665 20.786 19.000 0.202 0.000 1.285 1045 A HN -0.150 nan 8.150 nan 0.000 0.427 1046 S N -0.049 115.571 115.700 -0.133 0.000 2.680 1046 S HA 0.609 5.079 4.470 -0.000 0.000 0.262 1046 S C -1.950 172.428 174.600 -0.371 0.000 1.138 1046 S CA -0.267 57.867 58.200 -0.111 0.000 1.072 1046 S CB 0.109 63.262 63.200 -0.079 0.000 1.097 1046 S HN 0.794 nan 8.310 nan 0.000 0.468 1047 H N 2.360 121.518 119.070 0.147 0.000 2.924 1047 H HA 0.690 5.246 4.556 -0.000 0.000 0.333 1047 H C 0.337 175.757 175.328 0.154 0.000 0.979 1047 H CA -0.506 55.634 56.048 0.154 0.000 1.326 1047 H CB 1.387 31.266 29.762 0.195 0.000 1.600 1047 H HN 0.686 nan 8.280 nan 0.000 0.520 1048 R N 0.789 121.372 120.500 0.138 0.000 3.895 1048 R HA -0.207 4.133 4.340 -0.000 0.000 0.431 1048 R C 0.323 176.564 176.300 -0.099 0.000 0.241 1048 R CA 1.706 57.809 56.100 0.005 0.000 1.369 1048 R CB -0.818 29.472 30.300 -0.017 0.000 1.017 1048 R HN 0.713 nan 8.270 nan 0.000 0.556 1049 E N 0.205 120.204 120.200 -0.335 0.000 2.437 1049 E HA 0.140 4.490 4.350 -0.000 0.000 0.189 1049 E C -0.314 176.099 176.600 -0.311 0.000 1.054 1049 E CA 0.364 56.567 56.400 -0.328 0.000 0.874 1049 E CB -0.036 29.441 29.700 -0.371 0.000 1.011 1049 E HN 0.296 nan 8.360 nan 0.000 0.474 1050 F N 1.053 121.065 119.950 0.104 0.000 2.384 1050 F HA 0.206 4.733 4.527 -0.000 0.000 0.359 1050 F C 0.601 176.484 175.800 0.139 0.000 1.143 1050 F CA -0.441 57.633 58.000 0.123 0.000 1.216 1050 F CB 0.734 39.822 39.000 0.147 0.000 1.512 1050 F HN -0.385 nan 8.300 nan 0.000 0.573 1051 T N 1.791 116.502 114.554 0.262 0.000 2.767 1051 T HA 0.363 4.713 4.350 -0.000 0.000 0.288 1051 T C -0.082 174.797 174.700 0.297 0.000 0.963 1051 T CA -0.662 61.588 62.100 0.249 0.000 1.019 1051 T CB 0.911 69.915 68.868 0.227 0.000 0.923 1051 T HN 0.495 nan 8.240 nan 0.000 0.468 1052 S N 2.633 118.500 115.700 0.279 0.000 2.502 1052 S HA 0.737 5.207 4.470 -0.000 0.000 0.304 1052 S C -1.415 173.347 174.600 0.271 0.000 1.097 1052 S CA -1.010 57.348 58.200 0.264 0.000 1.045 1052 S CB 1.040 64.341 63.200 0.168 0.000 1.019 1052 S HN 0.643 nan 8.310 nan 0.000 0.481 1053 W N 1.286 122.609 121.300 0.038 0.000 2.781 1053 W HA 0.656 5.316 4.660 -0.000 0.000 0.345 1053 W C 0.370 176.898 176.519 0.015 0.000 1.085 1053 W CA -0.887 56.472 57.345 0.023 0.000 1.198 1053 W CB 1.747 31.218 29.460 0.018 0.000 1.423 1053 W HN 0.660 nan 8.180 nan 0.000 0.532 1054 R N 1.384 122.002 120.500 0.196 0.000 2.664 1054 R HA 0.889 5.229 4.340 -0.000 0.000 0.286 1054 R C -0.657 175.730 176.300 0.146 0.000 0.967 1054 R CA -0.423 55.750 56.100 0.122 0.000 0.933 1054 R CB 1.633 31.961 30.300 0.046 0.000 1.146 1054 R HN 0.653 nan 8.270 nan 0.000 0.468 1055 A N 2.294 125.174 122.820 0.100 0.000 2.533 1055 A HA 0.535 4.855 4.320 -0.000 0.000 0.293 1055 A C -1.570 176.041 177.584 0.045 0.000 1.228 1055 A CA -0.712 51.376 52.037 0.085 0.000 0.689 1055 A CB 1.732 20.786 19.000 0.089 0.000 1.303 1055 A HN 0.688 nan 8.150 nan 0.000 0.444 1056 E N -0.589 119.632 120.200 0.036 0.000 2.248 1056 E HA 0.550 4.899 4.350 -0.000 0.000 0.267 1056 E C -2.097 174.511 176.600 0.013 0.000 0.877 1056 E CA -0.676 55.736 56.400 0.019 0.000 0.759 1056 E CB 2.427 32.137 29.700 0.017 0.000 1.182 1056 E HN 0.356 nan 8.360 nan 0.000 0.418 1057 L N 3.426 124.652 121.223 0.005 0.000 2.404 1057 L HA 0.297 4.637 4.340 -0.000 0.000 0.272 1057 L C -0.973 175.896 176.870 -0.002 0.000 0.980 1057 L CA -0.089 54.752 54.840 0.001 0.000 0.836 1057 L CB 1.188 43.245 42.059 -0.003 0.000 1.238 1057 L HN 0.490 nan 8.230 nan 0.000 0.408 1058 D N 4.245 124.645 120.400 -0.001 0.000 2.811 1058 D HA -0.203 4.437 4.640 -0.000 0.000 0.231 1058 D C 1.148 177.447 176.300 -0.002 0.000 1.157 1058 D CA 1.672 55.671 54.000 -0.002 0.000 0.716 1058 D CB -1.050 39.747 40.800 -0.005 0.000 1.077 1058 D HN 1.194 nan 8.370 nan 0.000 0.428 1059 G N -0.996 107.804 108.800 -0.000 0.000 2.176 1059 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.253 1059 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.253 1059 G C 0.268 175.166 174.900 -0.002 0.000 0.979 1059 G CA 0.577 45.677 45.100 -0.000 0.000 0.641 1059 G HN 0.468 nan 8.290 nan 0.000 0.530 1060 K N 0.648 121.045 120.400 -0.004 0.000 2.182 1060 K HA 0.698 5.018 4.320 -0.000 0.000 0.262 1060 K C 0.527 177.123 176.600 -0.006 0.000 0.957 1060 K CA -0.081 56.202 56.287 -0.008 0.000 0.842 1060 K CB 1.823 34.316 32.500 -0.012 0.000 1.099 1060 K HN 0.463 nan 8.250 nan 0.000 0.438 1061 A N 2.389 125.204 122.820 -0.008 0.000 2.477 1061 A HA 0.320 4.640 4.320 -0.000 0.000 0.246 1061 A C -0.256 177.321 177.584 -0.012 0.000 1.078 1061 A CA -0.151 51.883 52.037 -0.005 0.000 0.770 1061 A CB 0.252 19.248 19.000 -0.007 0.000 1.011 1061 A HN 0.419 nan 8.150 nan 0.000 0.494 1062 V N 3.931 123.844 119.914 -0.002 0.000 2.789 1062 V HA 0.402 4.522 4.120 -0.000 0.000 0.311 1062 V C -0.458 175.642 176.094 0.010 0.000 1.073 1062 V CA -0.682 61.612 62.300 -0.010 0.000 0.921 1062 V CB 1.890 33.710 31.823 -0.005 0.000 1.009 1062 V HN 0.752 nan 8.190 nan 0.000 0.426 1063 I N 3.551 124.118 120.570 -0.004 0.000 2.460 1063 I HA 0.550 4.720 4.170 -0.000 0.000 0.298 1063 I C -0.348 175.796 176.117 0.046 0.000 0.989 1063 I CA -0.592 60.725 61.300 0.029 0.000 1.173 1063 I CB 1.976 39.979 38.000 0.006 0.000 1.338 1063 I HN 0.276 nan 8.210 nan 0.000 0.456 1064 V N 4.882 124.856 119.914 0.101 0.000 2.487 1064 V HA 0.472 4.592 4.120 -0.000 0.000 0.298 1064 V C -0.458 175.725 176.094 0.147 0.000 1.028 1064 V CA -0.493 61.866 62.300 0.099 0.000 0.860 1064 V CB 2.072 33.936 31.823 0.069 0.000 0.991 1064 V HN 0.908 nan 8.190 nan 0.000 0.427 1065 C N 4.765 124.147 119.300 0.136 0.000 2.642 1065 C HA 0.685 5.145 4.460 -0.000 0.000 0.344 1065 C C 0.449 175.546 174.990 0.178 0.000 1.110 1065 C CA -0.363 58.761 59.018 0.176 0.000 1.298 1065 C CB 1.166 29.006 27.740 0.167 0.000 1.827 1065 C HN 1.050 nan 8.230 nan 0.000 0.467 1066 S N 3.265 119.083 115.700 0.197 0.000 2.592 1066 S HA 0.383 4.853 4.470 -0.000 0.000 0.271 1066 S C 0.965 175.723 174.600 0.263 0.000 1.326 1066 S CA 0.356 58.659 58.200 0.170 0.000 1.024 1066 S CB 1.308 64.574 63.200 0.109 0.000 0.921 1066 S HN 1.056 nan 8.310 nan 0.000 0.527 1067 T N -1.767 112.899 114.554 0.186 0.000 3.014 1067 T HA 0.515 4.865 4.350 -0.000 0.000 0.250 1067 T C 1.172 175.958 174.700 0.144 0.000 1.060 1067 T CA 0.342 62.584 62.100 0.237 0.000 1.040 1067 T CB -0.888 68.060 68.868 0.133 0.000 0.971 1067 T HN 1.865 nan 8.240 nan 0.000 0.497 1068 G N 1.529 110.329 108.800 -0.000 0.000 2.782 1068 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.228 1068 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.228 1068 G C -0.603 174.279 174.900 -0.030 0.000 1.372 1068 G CA -0.453 44.594 45.100 -0.088 0.000 0.862 1068 G HN 0.651 nan 8.290 nan 0.000 0.547 1069 I N 2.128 122.671 120.570 -0.044 0.000 2.395 1069 I HA 0.541 4.711 4.170 -0.000 0.000 0.289 1069 I C 1.103 177.220 176.117 -0.001 0.000 1.023 1069 I CA 0.963 62.252 61.300 -0.020 0.000 1.350 1069 I CB 0.802 38.783 38.000 -0.033 0.000 1.409 1069 I HN 2.050 nan 8.210 nan 0.000 0.507 1070 G N 3.876 112.685 108.800 0.014 0.000 2.699 1070 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.686 1070 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.686 1070 G C 0.588 175.506 174.900 0.030 0.000 1.301 1070 G CA -0.439 44.675 45.100 0.023 0.000 0.816 1070 G HN 0.959 nan 8.290 nan 0.000 0.595 1071 G N 0.237 109.059 108.800 0.036 0.000 2.440 1071 G HA2 0.060 4.020 3.960 -0.000 0.000 0.218 1071 G HA3 0.060 4.020 3.960 -0.000 0.000 0.218 1071 G C 0.125 175.052 174.900 0.046 0.000 1.154 1071 G CA 2.138 47.264 45.100 0.042 0.000 0.767 1071 G HN 0.697 nan 8.290 nan 0.000 0.552 1072 P HA -0.059 nan 4.420 nan 0.000 0.216 1072 P C 2.289 179.613 177.300 0.040 0.000 1.153 1072 P CA 1.701 64.817 63.100 0.027 0.000 0.848 1072 P CB -0.073 31.634 31.700 0.012 0.000 0.787 1073 S N -1.498 114.235 115.700 0.056 0.000 2.368 1073 S HA -0.149 4.321 4.470 -0.000 0.000 0.225 1073 S C 1.928 176.626 174.600 0.163 0.000 1.030 1073 S CA 2.091 60.364 58.200 0.122 0.000 0.999 1073 S CB -1.364 61.873 63.200 0.062 0.000 0.844 1073 S HN 0.123 nan 8.310 nan 0.000 0.459 1074 T N 1.726 116.333 114.554 0.088 0.000 2.746 1074 T HA -0.111 4.239 4.350 -0.000 0.000 0.267 1074 T C 2.222 176.911 174.700 -0.017 0.000 1.039 1074 T CA 1.726 63.856 62.100 0.050 0.000 1.142 1074 T CB -0.631 68.240 68.868 0.006 0.000 0.866 1074 T HN 0.734 nan 8.240 nan 0.000 0.444 1075 S N 1.365 117.056 115.700 -0.015 0.000 2.382 1075 S HA -0.058 4.412 4.470 -0.000 0.000 0.228 1075 S C 2.074 176.651 174.600 -0.038 0.000 1.027 1075 S CA 0.847 59.025 58.200 -0.037 0.000 0.991 1075 S CB -0.795 62.481 63.200 0.125 0.000 0.823 1075 S HN 0.498 nan 8.310 nan 0.000 0.469 1076 I N 2.277 122.823 120.570 -0.040 0.000 2.179 1076 I HA -0.148 4.022 4.170 -0.000 0.000 0.242 1076 I C 3.119 179.105 176.117 -0.219 0.000 1.088 1076 I CA 1.204 62.422 61.300 -0.136 0.000 1.357 1076 I CB -0.705 37.142 38.000 -0.255 0.000 1.051 1076 I HN 0.442 nan 8.210 nan 0.000 0.409 1077 A N 0.328 123.024 122.820 -0.206 0.000 1.877 1077 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 1077 A C 2.416 179.941 177.584 -0.097 0.000 1.186 1077 A CA 1.927 53.832 52.037 -0.220 0.000 0.620 1077 A CB -1.009 18.004 19.000 0.023 0.000 0.822 1077 A HN 0.243 nan 8.150 nan 0.000 0.443 1078 V N 1.170 121.005 119.914 -0.130 0.000 2.358 1078 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 1078 V C 2.619 178.622 176.094 -0.151 0.000 1.047 1078 V CA 2.314 64.460 62.300 -0.256 0.000 1.035 1078 V CB -1.007 30.491 31.823 -0.541 0.000 0.658 1078 V HN 0.920 nan 8.190 nan 0.000 0.452 1079 E N 0.501 120.626 120.200 -0.126 0.000 2.106 1079 E HA -0.258 4.092 4.350 -0.000 0.000 0.192 1079 E C 1.923 178.504 176.600 -0.032 0.000 0.984 1079 E CA 1.687 58.053 56.400 -0.056 0.000 0.806 1079 E CB -0.365 29.337 29.700 0.004 0.000 0.750 1079 E HN 0.701 nan 8.360 nan 0.000 0.458 1080 E N 0.936 121.101 120.200 -0.059 0.000 2.072 1080 E HA -0.090 4.260 4.350 -0.000 0.000 0.190 1080 E C 2.358 178.944 176.600 -0.023 0.000 0.982 1080 E CA 0.861 57.217 56.400 -0.073 0.000 0.803 1080 E CB -0.095 29.536 29.700 -0.115 0.000 0.755 1080 E HN 0.309 nan 8.360 nan 0.000 0.453 1081 L N 0.787 122.033 121.223 0.038 0.000 2.042 1081 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 1081 L C 2.592 179.544 176.870 0.137 0.000 1.076 1081 L CA 1.099 56.005 54.840 0.110 0.000 0.749 1081 L CB -0.456 41.759 42.059 0.260 0.000 0.893 1081 L HN 0.148 nan 8.230 nan 0.000 0.432 1082 A N -0.641 122.308 122.820 0.215 0.000 1.930 1082 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 1082 A C 2.189 179.807 177.584 0.058 0.000 1.175 1082 A CA 1.336 53.481 52.037 0.180 0.000 0.627 1082 A CB -0.406 18.692 19.000 0.164 0.000 0.815 1082 A HN 0.470 nan 8.150 nan 0.000 0.443 1083 Q N -0.484 119.326 119.800 0.016 0.000 2.181 1083 Q HA -0.055 4.285 4.340 -0.000 0.000 0.205 1083 Q C 1.481 177.465 176.000 -0.027 0.000 0.980 1083 Q CA 1.201 56.989 55.803 -0.025 0.000 0.862 1083 Q CB -0.282 28.412 28.738 -0.073 0.000 0.905 1083 Q HN 0.654 nan 8.270 nan 0.000 0.429 1084 L N -0.997 120.213 121.223 -0.020 0.000 2.612 1084 L HA 0.137 4.477 4.340 -0.000 0.000 0.230 1084 L C 1.022 177.877 176.870 -0.026 0.000 1.140 1084 L CA 0.440 55.264 54.840 -0.027 0.000 0.896 1084 L CB 0.102 42.145 42.059 -0.028 0.000 1.065 1084 L HN 0.454 nan 8.230 nan 0.000 0.447 1085 G N -0.242 108.548 108.800 -0.018 0.000 2.184 1085 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.206 1085 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.206 1085 G C 0.224 175.092 174.900 -0.054 0.000 0.995 1085 G CA -0.669 44.415 45.100 -0.027 0.000 0.651 1085 G HN 0.083 nan 8.290 nan 0.000 0.511 1086 I N 0.951 121.472 120.570 -0.082 0.000 2.556 1086 I HA 0.304 4.474 4.170 -0.000 0.000 0.284 1086 I C 1.484 177.491 176.117 -0.182 0.000 1.114 1086 I CA 0.417 61.577 61.300 -0.235 0.000 1.418 1086 I CB 0.956 38.670 38.000 -0.477 0.000 1.394 1086 I HN 0.220 nan 8.210 nan 0.000 0.552 1087 R N 2.509 122.889 120.500 -0.199 0.000 2.469 1087 R HA 0.189 4.529 4.340 -0.000 0.000 0.250 1087 R C -0.270 176.005 176.300 -0.042 0.000 0.909 1087 R CA 0.192 56.265 56.100 -0.046 0.000 1.050 1087 R CB 0.725 31.013 30.300 -0.020 0.000 1.256 1087 R HN 0.576 nan 8.270 nan 0.000 0.550 1088 T N 0.622 115.036 114.554 -0.233 0.000 2.879 1088 T HA 0.478 4.828 4.350 -0.000 0.000 0.290 1088 T C -1.297 173.218 174.700 -0.309 0.000 0.993 1088 T CA -0.374 61.650 62.100 -0.126 0.000 0.975 1088 T CB 1.347 70.166 68.868 -0.082 0.000 0.981 1088 T HN -0.120 nan 8.240 nan 0.000 0.439 1089 F N 2.715 122.660 119.950 -0.009 0.000 2.477 1089 F HA 0.578 5.105 4.527 -0.000 0.000 0.335 1089 F C -0.310 175.485 175.800 -0.008 0.000 1.130 1089 F CA -1.033 56.961 58.000 -0.010 0.000 0.948 1089 F CB 1.412 40.401 39.000 -0.018 0.000 1.154 1089 F HN 0.223 nan 8.300 nan 0.000 0.439 1090 L N 4.088 125.391 121.223 0.133 0.000 2.316 1090 L HA 0.545 4.885 4.340 -0.000 0.000 0.280 1090 L C -0.205 176.715 176.870 0.082 0.000 1.006 1090 L CA -0.911 53.978 54.840 0.082 0.000 0.836 1090 L CB 1.656 43.735 42.059 0.033 0.000 1.221 1090 L HN 0.491 nan 8.230 nan 0.000 0.418 1091 R N 3.498 124.041 120.500 0.072 0.000 2.340 1091 R HA 0.533 4.873 4.340 -0.000 0.000 0.300 1091 R C -1.002 175.319 176.300 0.035 0.000 1.069 1091 R CA -0.174 55.960 56.100 0.055 0.000 0.984 1091 R CB 0.917 31.242 30.300 0.041 0.000 1.003 1091 R HN 0.537 nan 8.270 nan 0.000 0.459 1092 I N 3.359 123.948 120.570 0.031 0.000 2.465 1092 I HA 0.796 4.966 4.170 -0.000 0.000 0.291 1092 I C -0.640 175.486 176.117 0.016 0.000 1.014 1092 I CA -0.125 61.186 61.300 0.019 0.000 1.093 1092 I CB 2.061 40.068 38.000 0.012 0.000 1.267 1092 I HN 0.736 nan 8.210 nan 0.000 0.431 1093 G N 3.833 112.641 108.800 0.014 0.000 2.727 1093 G HA2 0.696 4.656 3.960 -0.000 0.000 0.289 1093 G HA3 0.696 4.656 3.960 -0.000 0.000 0.289 1093 G C -1.348 173.559 174.900 0.012 0.000 1.418 1093 G CA -0.332 44.776 45.100 0.013 0.000 0.818 1093 G HN 0.714 nan 8.290 nan 0.000 0.486 1094 T N -2.569 111.992 114.554 0.012 0.000 2.887 1094 T HA 0.781 5.131 4.350 -0.000 0.000 0.288 1094 T C -0.446 174.267 174.700 0.022 0.000 1.021 1094 T CA -0.716 61.393 62.100 0.014 0.000 1.000 1094 T CB 2.170 71.043 68.868 0.008 0.000 1.034 1094 T HN 0.855 nan 8.240 nan 0.000 0.467 1095 T N 0.051 114.618 114.554 0.022 0.000 2.843 1095 T HA 0.709 5.059 4.350 -0.000 0.000 0.302 1095 T C -0.043 174.668 174.700 0.019 0.000 1.232 1095 T CA -0.214 61.901 62.100 0.025 0.000 1.009 1095 T CB 1.345 70.222 68.868 0.015 0.000 1.254 1095 T HN 1.134 nan 8.240 nan 0.000 0.504 1096 G N 0.498 109.311 108.800 0.021 0.000 2.477 1096 G HA2 0.715 4.674 3.960 -0.000 0.000 0.304 1096 G HA3 0.715 4.674 3.960 -0.000 0.000 0.304 1096 G C -0.576 174.316 174.900 -0.013 0.000 1.175 1096 G CA -0.165 44.941 45.100 0.009 0.000 0.907 1096 G HN 0.964 nan 8.290 nan 0.000 0.509 1097 A N -0.267 122.533 122.820 -0.034 0.000 2.350 1097 A HA 0.690 5.010 4.320 -0.000 0.000 0.318 1097 A C 0.510 178.056 177.584 -0.063 0.000 1.132 1097 A CA -0.679 51.311 52.037 -0.078 0.000 0.811 1097 A CB 1.137 20.059 19.000 -0.130 0.000 1.313 1097 A HN 1.219 nan 8.150 nan 0.000 0.454 1098 I N -2.761 117.753 120.570 -0.094 0.000 4.050 1098 I HA 0.299 4.468 4.170 -0.000 0.000 0.327 1098 I C -0.472 175.611 176.117 -0.056 0.000 1.473 1098 I CA -0.209 61.059 61.300 -0.054 0.000 1.124 1098 I CB 0.357 38.318 38.000 -0.066 0.000 1.129 1098 I HN 0.278 nan 8.210 nan 0.000 0.428 1099 Q N 1.991 121.721 119.800 -0.117 0.000 2.293 1099 Q HA 0.402 4.742 4.340 -0.000 0.000 0.261 1099 Q C -2.026 173.896 176.000 -0.130 0.000 0.960 1099 Q CA -1.873 53.864 55.803 -0.109 0.000 0.882 1099 Q CB 2.175 30.781 28.738 -0.220 0.000 1.275 1099 Q HN -0.013 nan 8.270 nan 0.000 0.445 1100 P HA -0.150 nan 4.420 nan 0.000 0.220 1100 P C 0.883 178.179 177.300 -0.005 0.000 1.148 1100 P CA 1.315 64.415 63.100 -0.001 0.000 0.803 1100 P CB 0.122 31.850 31.700 0.047 0.000 0.782 1101 H N -1.692 117.355 119.070 -0.039 0.000 2.551 1101 H HA 0.147 4.703 4.556 -0.000 0.000 0.266 1101 H C 0.449 175.747 175.328 -0.051 0.000 0.977 1101 H CA 0.015 56.047 56.048 -0.025 0.000 1.163 1101 H CB -0.523 29.233 29.762 -0.010 0.000 1.381 1101 H HN 0.134 nan 8.280 nan 0.000 0.581 1102 I N 3.083 123.298 120.570 -0.592 0.000 2.342 1102 I HA 0.073 4.242 4.170 -0.000 0.000 0.291 1102 I C -0.251 175.759 176.117 -0.178 0.000 1.010 1102 I CA -0.407 60.575 61.300 -0.530 0.000 1.308 1102 I CB 0.893 38.468 38.000 -0.709 0.000 1.400 1102 I HN 0.111 nan 8.210 nan 0.000 0.488 1103 N N 5.041 123.724 118.700 -0.029 0.000 2.430 1103 N HA 0.333 5.073 4.740 -0.000 0.000 0.298 1103 N C -0.538 174.984 175.510 0.020 0.000 1.130 1103 N CA -0.600 52.455 53.050 0.008 0.000 0.894 1103 N CB 2.172 40.685 38.487 0.043 0.000 1.209 1103 N HN 0.153 nan 8.380 nan 0.000 0.503 1104 V N 0.929 120.853 119.914 0.016 0.000 2.617 1104 V HA 0.198 4.318 4.120 -0.000 0.000 0.304 1104 V C 1.533 177.651 176.094 0.040 0.000 1.040 1104 V CA 1.581 63.895 62.300 0.023 0.000 1.149 1104 V CB 0.190 32.025 31.823 0.019 0.000 0.914 1104 V HN 1.061 nan 8.190 nan 0.000 0.487 1105 G N 3.686 112.515 108.800 0.049 0.000 2.234 1105 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.235 1105 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.235 1105 G C 0.001 174.946 174.900 0.075 0.000 0.997 1105 G CA 0.063 45.206 45.100 0.072 0.000 0.623 1105 G HN 0.669 nan 8.290 nan 0.000 0.514 1106 D N 0.048 120.493 120.400 0.075 0.000 2.360 1106 D HA 0.517 5.157 4.640 -0.000 0.000 0.242 1106 D C 0.482 176.834 176.300 0.086 0.000 1.184 1106 D CA 0.110 54.166 54.000 0.094 0.000 0.930 1106 D CB 1.578 42.504 40.800 0.210 0.000 1.161 1106 D HN 0.231 nan 8.370 nan 0.000 0.447 1107 V N 1.470 121.426 119.914 0.070 0.000 2.555 1107 V HA 0.365 4.485 4.120 -0.000 0.000 0.302 1107 V C -0.134 176.008 176.094 0.081 0.000 1.038 1107 V CA -0.757 61.576 62.300 0.054 0.000 0.887 1107 V CB 1.528 33.360 31.823 0.015 0.000 0.991 1107 V HN 0.267 nan 8.190 nan 0.000 0.434 1108 L N 5.020 126.283 121.223 0.067 0.000 2.322 1108 L HA 0.676 5.016 4.340 -0.000 0.000 0.281 1108 L C -0.751 176.139 176.870 0.034 0.000 1.014 1108 L CA -0.789 54.092 54.840 0.068 0.000 0.815 1108 L CB 1.873 43.956 42.059 0.040 0.000 1.247 1108 L HN 0.314 nan 8.230 nan 0.000 0.421 1109 V N 1.713 121.645 119.914 0.030 0.000 2.448 1109 V HA 0.347 4.467 4.120 -0.000 0.000 0.295 1109 V C 0.131 176.232 176.094 0.011 0.000 1.025 1109 V CA -0.418 61.888 62.300 0.011 0.000 0.859 1109 V CB 1.991 33.811 31.823 -0.004 0.000 0.988 1109 V HN 0.743 nan 8.190 nan 0.000 0.431 1110 T N 3.104 117.661 114.554 0.004 0.000 2.744 1110 T HA 0.229 4.579 4.350 -0.000 0.000 0.291 1110 T C 1.261 175.963 174.700 0.004 0.000 0.957 1110 T CA 0.141 62.241 62.100 -0.001 0.000 1.002 1110 T CB 1.261 70.123 68.868 -0.009 0.000 0.919 1110 T HN 0.960 nan 8.240 nan 0.000 0.468 1111 T N 0.601 115.159 114.554 0.008 0.000 2.978 1111 T HA 0.492 4.841 4.350 -0.000 0.000 0.262 1111 T C 0.721 175.427 174.700 0.011 0.000 1.063 1111 T CA 0.273 62.384 62.100 0.018 0.000 1.140 1111 T CB 0.170 69.054 68.868 0.027 0.000 0.886 1111 T HN 0.764 nan 8.240 nan 0.000 0.470 1112 A N -0.085 122.732 122.820 -0.005 0.000 2.586 1112 A HA 0.672 4.992 4.320 -0.000 0.000 0.291 1112 A C -1.076 176.487 177.584 -0.035 0.000 1.062 1112 A CA -0.852 51.177 52.037 -0.014 0.000 0.666 1112 A CB 1.132 20.122 19.000 -0.018 0.000 1.281 1112 A HN 0.200 nan 8.150 nan 0.000 0.421 1113 S N -0.449 115.228 115.700 -0.038 0.000 2.536 1113 S HA 0.620 5.090 4.470 -0.000 0.000 0.298 1113 S C -0.432 174.114 174.600 -0.090 0.000 1.083 1113 S CA -0.561 57.597 58.200 -0.070 0.000 0.995 1113 S CB 1.733 64.903 63.200 -0.050 0.000 1.058 1113 S HN 0.936 nan 8.310 nan 0.000 0.488 1114 V N 2.954 122.763 119.914 -0.175 0.000 2.508 1114 V HA 0.211 4.331 4.120 -0.000 0.000 0.281 1114 V C 0.530 176.546 176.094 -0.130 0.000 1.041 1114 V CA -0.025 62.139 62.300 -0.227 0.000 1.016 1114 V CB 0.057 31.550 31.823 -0.551 0.000 0.984 1114 V HN 0.695 nan 8.190 nan 0.000 0.478 1115 R N 5.229 125.704 120.500 -0.041 0.000 2.870 1115 R HA 0.345 4.685 4.340 -0.000 0.000 0.254 1115 R C -0.097 176.243 176.300 0.066 0.000 1.392 1115 R CA -0.152 55.963 56.100 0.025 0.000 1.322 1115 R CB 0.063 30.401 30.300 0.062 0.000 1.205 1115 R HN 0.663 nan 8.270 nan 0.000 0.597 1116 L N 2.414 123.680 121.223 0.071 0.000 2.928 1116 L HA 0.145 4.485 4.340 -0.000 0.000 0.236 1116 L C 0.216 177.177 176.870 0.152 0.000 1.290 1116 L CA -0.213 54.730 54.840 0.173 0.000 1.099 1116 L CB -0.744 41.452 42.059 0.228 0.000 1.437 1116 L HN 0.519 nan 8.230 nan 0.000 0.493 1117 D N -1.656 118.816 120.400 0.120 0.000 2.714 1117 D HA 0.348 4.987 4.640 -0.000 0.000 0.278 1117 D C 0.598 176.973 176.300 0.124 0.000 1.102 1117 D CA -0.252 53.814 54.000 0.109 0.000 1.108 1117 D CB 1.755 42.608 40.800 0.088 0.000 1.444 1117 D HN -0.075 nan 8.370 nan 0.000 0.568 1118 G N -1.077 107.800 108.800 0.130 0.000 2.780 1118 G HA2 0.266 4.226 3.960 -0.000 0.000 0.198 1118 G HA3 0.266 4.226 3.960 -0.000 0.000 0.198 1118 G C 1.285 176.321 174.900 0.228 0.000 1.067 1118 G CA 0.660 45.853 45.100 0.156 0.000 0.765 1118 G HN 0.622 nan 8.290 nan 0.000 0.581 1119 A N 1.847 124.790 122.820 0.205 0.000 1.972 1119 A HA -0.033 4.287 4.320 -0.000 0.000 0.219 1119 A C 2.671 180.484 177.584 0.382 0.000 1.169 1119 A CA 2.531 54.721 52.037 0.256 0.000 0.635 1119 A CB -0.738 18.360 19.000 0.162 0.000 0.810 1119 A HN 0.808 nan 8.150 nan 0.000 0.446 1120 S N 0.170 116.041 115.700 0.285 0.000 2.400 1120 S HA -0.138 4.332 4.470 -0.000 0.000 0.232 1120 S C 1.724 176.489 174.600 0.275 0.000 1.025 1120 S CA 1.538 59.916 58.200 0.298 0.000 0.993 1120 S CB -0.756 62.546 63.200 0.170 0.000 0.808 1120 S HN 0.461 nan 8.310 nan 0.000 0.478 1121 L N 0.417 121.748 121.223 0.180 0.000 2.362 1121 L HA -0.007 4.333 4.340 -0.000 0.000 0.219 1121 L C 2.223 179.032 176.870 -0.102 0.000 1.134 1121 L CA 1.063 55.923 54.840 0.033 0.000 0.807 1121 L CB -0.587 41.455 42.059 -0.028 0.000 0.927 1121 L HN 0.371 nan 8.230 nan 0.000 0.447 1122 H N -1.856 117.139 119.070 -0.124 0.000 2.529 1122 H HA -0.018 4.538 4.556 -0.000 0.000 0.277 1122 H C 1.419 176.401 175.328 -0.577 0.000 0.999 1122 H CA 1.201 57.017 56.048 -0.387 0.000 1.256 1122 H CB 0.082 29.515 29.762 -0.548 0.000 1.402 1122 H HN 0.251 nan 8.280 nan 0.000 0.566 1123 F N -0.888 119.080 119.950 0.030 0.000 2.653 1123 F HA 0.522 5.049 4.527 -0.000 0.000 0.288 1123 F C 0.965 176.674 175.800 -0.152 0.000 1.121 1123 F CA 0.309 58.275 58.000 -0.057 0.000 1.384 1123 F CB 0.810 39.769 39.000 -0.069 0.000 1.115 1123 F HN 0.039 nan 8.300 nan 0.000 0.599 1124 A N -0.345 122.480 122.820 0.008 0.000 2.589 1124 A HA 0.649 4.969 4.320 -0.000 0.000 0.296 1124 A C -2.830 174.753 177.584 -0.002 0.000 1.062 1124 A CA -1.513 50.458 52.037 -0.111 0.000 0.686 1124 A CB 0.490 19.242 19.000 -0.413 0.000 1.282 1124 A HN -0.206 nan 8.150 nan 0.000 0.404 1125 P HA 0.193 nan 4.420 nan 0.000 0.270 1125 P C 0.970 178.335 177.300 0.107 0.000 1.223 1125 P CA -0.333 62.797 63.100 0.050 0.000 0.785 1125 P CB 0.361 32.093 31.700 0.054 0.000 0.923 1126 M N 1.404 121.054 119.600 0.084 0.000 2.267 1126 M HA -0.174 4.306 4.480 -0.000 0.000 0.263 1126 M C 1.252 177.620 176.300 0.114 0.000 1.063 1126 M CA 1.899 57.257 55.300 0.097 0.000 1.090 1126 M CB -1.054 31.588 32.600 0.070 0.000 1.392 1126 M HN 0.276 nan 8.290 nan 0.000 0.422 1127 E N -0.793 119.473 120.200 0.111 0.000 2.265 1127 E HA -0.064 4.286 4.350 -0.000 0.000 0.196 1127 E C 0.171 176.841 176.600 0.117 0.000 0.996 1127 E CA 0.537 56.994 56.400 0.095 0.000 0.832 1127 E CB -0.402 29.346 29.700 0.081 0.000 0.756 1127 E HN 0.501 nan 8.360 nan 0.000 0.491 1128 F N 2.112 122.078 119.950 0.026 0.000 2.443 1128 F HA 0.215 4.742 4.527 -0.000 0.000 0.353 1128 F C -2.052 173.764 175.800 0.026 0.000 1.101 1128 F CA -2.806 55.210 58.000 0.028 0.000 1.226 1128 F CB 0.678 39.699 39.000 0.035 0.000 1.140 1128 F HN -0.140 nan 8.300 nan 0.000 0.557 1129 P HA 0.199 nan 4.420 nan 0.000 0.285 1129 P C -1.375 175.932 177.300 0.012 0.000 1.259 1129 P CA -0.488 62.514 63.100 -0.163 0.000 0.794 1129 P CB 1.416 32.956 31.700 -0.267 0.000 0.940 1130 A N 3.745 126.609 122.820 0.073 0.000 3.026 1130 A HA 0.265 4.585 4.320 -0.000 0.000 0.272 1130 A C 0.255 177.864 177.584 0.042 0.000 1.782 1130 A CA -0.250 51.843 52.037 0.094 0.000 1.451 1130 A CB -0.999 18.036 19.000 0.058 0.000 1.081 1130 A HN 0.455 nan 8.150 nan 0.000 0.611 1131 V N 1.762 121.702 119.914 0.042 0.000 2.547 1131 V HA 0.715 4.835 4.120 -0.000 0.000 0.299 1131 V C 0.593 176.714 176.094 0.044 0.000 1.040 1131 V CA -0.239 62.071 62.300 0.016 0.000 0.913 1131 V CB 1.489 33.294 31.823 -0.030 0.000 0.992 1131 V HN 0.905 nan 8.190 nan 0.000 0.449 1132 A N 4.184 127.028 122.820 0.039 0.000 2.351 1132 A HA 0.419 4.739 4.320 -0.000 0.000 0.257 1132 A C 0.022 177.649 177.584 0.072 0.000 1.087 1132 A CA -0.230 51.836 52.037 0.048 0.000 0.798 1132 A CB 0.221 19.240 19.000 0.033 0.000 1.033 1132 A HN 1.032 nan 8.150 nan 0.000 0.488 1133 D N 0.277 120.722 120.400 0.076 0.000 2.424 1133 D HA 0.095 4.735 4.640 -0.000 0.000 0.244 1133 D C 0.685 177.054 176.300 0.116 0.000 1.134 1133 D CA -0.008 54.053 54.000 0.102 0.000 0.881 1133 D CB 0.165 41.018 40.800 0.088 0.000 1.191 1133 D HN 0.389 nan 8.370 nan 0.000 0.445 1134 F N 3.992 123.951 119.950 0.015 0.000 2.134 1134 F HA -0.112 4.415 4.527 -0.000 0.000 0.299 1134 F C 2.038 177.844 175.800 0.010 0.000 1.097 1134 F CA 1.773 59.779 58.000 0.010 0.000 1.264 1134 F CB -0.360 38.643 39.000 0.006 0.000 1.001 1134 F HN 0.491 nan 8.300 nan 0.000 0.479 1135 A N -0.586 122.228 122.820 -0.009 0.000 1.902 1135 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 1135 A C 2.342 179.839 177.584 -0.146 0.000 1.181 1135 A CA 1.765 53.733 52.037 -0.115 0.000 0.623 1135 A CB -1.654 17.357 19.000 0.018 0.000 0.818 1135 A HN 0.572 nan 8.150 nan 0.000 0.443 1136 C N -1.180 118.076 119.300 -0.073 0.000 2.453 1136 C HA -0.064 4.396 4.460 -0.000 0.000 0.277 1136 C C 3.050 177.983 174.990 -0.094 0.000 1.262 1136 C CA 1.502 60.486 59.018 -0.056 0.000 1.718 1136 C CB -1.469 26.269 27.740 -0.003 0.000 2.031 1136 C HN 0.647 nan 8.230 nan 0.000 0.480 1137 T N 0.644 115.127 114.554 -0.119 0.000 2.746 1137 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 1137 T C 1.792 176.372 174.700 -0.200 0.000 1.039 1137 T CA 2.155 64.179 62.100 -0.127 0.000 1.142 1137 T CB -0.576 68.235 68.868 -0.095 0.000 0.866 1137 T HN 0.588 nan 8.240 nan 0.000 0.444 1138 T N 2.138 116.469 114.554 -0.371 0.000 2.684 1138 T HA -0.091 4.259 4.350 -0.000 0.000 0.267 1138 T C 2.419 176.998 174.700 -0.201 0.000 1.036 1138 T CA 1.307 63.182 62.100 -0.374 0.000 1.148 1138 T CB -0.657 67.845 68.868 -0.610 0.000 0.863 1138 T HN 0.450 nan 8.240 nan 0.000 0.436 1139 A N 1.006 123.727 122.820 -0.166 0.000 1.908 1139 A HA -0.033 4.287 4.320 -0.000 0.000 0.218 1139 A C 2.315 179.854 177.584 -0.076 0.000 1.181 1139 A CA 1.351 53.328 52.037 -0.099 0.000 0.627 1139 A CB -0.845 18.110 19.000 -0.075 0.000 0.818 1139 A HN 0.488 nan 8.150 nan 0.000 0.445 1140 L N -0.826 120.352 121.223 -0.075 0.000 2.072 1140 L HA -0.120 4.220 4.340 -0.000 0.000 0.205 1140 L C 2.507 179.345 176.870 -0.053 0.000 1.079 1140 L CA 0.877 55.686 54.840 -0.052 0.000 0.752 1140 L CB -0.469 41.566 42.059 -0.040 0.000 0.906 1140 L HN 0.235 nan 8.230 nan 0.000 0.436 1141 V N -0.150 119.723 119.914 -0.069 0.000 2.343 1141 V HA -0.255 3.865 4.120 -0.000 0.000 0.247 1141 V C 2.342 178.401 176.094 -0.059 0.000 1.051 1141 V CA 1.756 64.019 62.300 -0.061 0.000 1.036 1141 V CB -0.483 31.299 31.823 -0.068 0.000 0.654 1141 V HN 0.460 nan 8.190 nan 0.000 0.451 1142 E N 0.390 120.551 120.200 -0.066 0.000 2.072 1142 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 1142 E C 2.346 178.918 176.600 -0.046 0.000 0.985 1142 E CA 1.199 57.567 56.400 -0.054 0.000 0.801 1142 E CB -0.330 29.337 29.700 -0.056 0.000 0.750 1142 E HN 0.593 nan 8.360 nan 0.000 0.452 1143 A N 1.628 124.422 122.820 -0.044 0.000 1.933 1143 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 1143 A C 2.389 179.951 177.584 -0.038 0.000 1.175 1143 A CA 1.669 53.685 52.037 -0.036 0.000 0.628 1143 A CB -0.576 18.405 19.000 -0.031 0.000 0.814 1143 A HN 0.289 nan 8.150 nan 0.000 0.444 1144 A N 0.016 122.811 122.820 -0.041 0.000 1.877 1144 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 1144 A C 2.151 179.701 177.584 -0.056 0.000 1.186 1144 A CA 1.988 53.997 52.037 -0.046 0.000 0.620 1144 A CB -0.509 18.464 19.000 -0.045 0.000 0.822 1144 A HN 0.563 nan 8.150 nan 0.000 0.443 1145 K N 0.494 120.862 120.400 -0.053 0.000 2.063 1145 K HA -0.189 4.131 4.320 -0.000 0.000 0.208 1145 K C 2.219 178.790 176.600 -0.049 0.000 1.048 1145 K CA 2.045 58.301 56.287 -0.052 0.000 0.928 1145 K CB -0.270 32.204 32.500 -0.045 0.000 0.713 1145 K HN 0.573 nan 8.250 nan 0.000 0.442 1146 S N 0.248 115.921 115.700 -0.044 0.000 2.419 1146 S HA -0.152 4.318 4.470 -0.000 0.000 0.235 1146 S C 1.770 176.342 174.600 -0.047 0.000 1.019 1146 S CA 1.068 59.244 58.200 -0.039 0.000 0.982 1146 S CB -0.184 62.996 63.200 -0.033 0.000 0.789 1146 S HN 0.345 nan 8.310 nan 0.000 0.490 1147 I N 1.422 121.956 120.570 -0.059 0.000 3.728 1147 I HA 0.337 4.507 4.170 -0.000 0.000 0.307 1147 I C 1.693 177.744 176.117 -0.109 0.000 1.276 1147 I CA 0.530 61.781 61.300 -0.081 0.000 1.285 1147 I CB -0.030 37.917 38.000 -0.088 0.000 1.038 1147 I HN 0.556 nan 8.210 nan 0.000 0.445 1148 G N 0.552 109.299 108.800 -0.089 0.000 2.143 1148 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.249 1148 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.249 1148 G C 0.594 175.432 174.900 -0.104 0.000 0.981 1148 G CA 0.080 45.126 45.100 -0.089 0.000 0.665 1148 G HN 0.710 nan 8.290 nan 0.000 0.528 1149 A N 0.103 122.858 122.820 -0.110 0.000 2.425 1149 A HA 0.641 4.961 4.320 -0.000 0.000 0.249 1149 A C 0.810 178.338 177.584 -0.094 0.000 1.084 1149 A CA 1.033 53.007 52.037 -0.105 0.000 0.781 1149 A CB 0.363 19.311 19.000 -0.088 0.000 1.019 1149 A HN 0.776 nan 8.150 nan 0.000 0.490 1150 T N 2.983 117.484 114.554 -0.089 0.000 2.737 1150 T HA 0.427 4.777 4.350 -0.000 0.000 0.296 1150 T C 0.068 174.637 174.700 -0.218 0.000 0.922 1150 T CA 0.458 62.478 62.100 -0.132 0.000 1.079 1150 T CB 0.059 68.875 68.868 -0.086 0.000 0.892 1150 T HN 0.641 nan 8.240 nan 0.000 0.514 1151 T N 4.646 119.023 114.554 -0.294 0.000 2.841 1151 T HA 0.394 4.744 4.350 -0.000 0.000 0.283 1151 T C -0.603 173.852 174.700 -0.408 0.000 1.000 1151 T CA -0.794 61.151 62.100 -0.258 0.000 0.977 1151 T CB 0.846 69.640 68.868 -0.123 0.000 0.979 1151 T HN 0.520 nan 8.240 nan 0.000 0.446 1152 H N 1.198 120.272 119.070 0.006 0.000 2.489 1152 H HA 0.561 5.117 4.556 -0.000 0.000 0.343 1152 H C -0.977 174.356 175.328 0.008 0.000 1.086 1152 H CA -0.556 55.503 56.048 0.019 0.000 1.198 1152 H CB 1.825 31.596 29.762 0.015 0.000 1.490 1152 H HN 0.269 nan 8.280 nan 0.000 0.504 1153 V N 2.546 122.530 119.914 0.116 0.000 2.444 1153 V HA 0.687 4.806 4.120 -0.000 0.000 0.294 1153 V C 0.501 176.632 176.094 0.061 0.000 1.022 1153 V CA -0.222 62.115 62.300 0.062 0.000 0.850 1153 V CB 1.320 33.163 31.823 0.033 0.000 0.992 1153 V HN 1.103 nan 8.190 nan 0.000 0.426 1154 G N 3.417 112.241 108.800 0.041 0.000 2.399 1154 G HA2 0.392 4.352 3.960 -0.000 0.000 0.256 1154 G HA3 0.392 4.352 3.960 -0.000 0.000 0.256 1154 G C -1.443 173.458 174.900 0.001 0.000 1.236 1154 G CA -0.374 44.742 45.100 0.028 0.000 0.914 1154 G HN 0.483 nan 8.290 nan 0.000 0.482 1155 V N 0.866 120.771 119.914 -0.016 0.000 2.567 1155 V HA 0.657 4.777 4.120 -0.000 0.000 0.289 1155 V C 0.305 176.346 176.094 -0.089 0.000 1.049 1155 V CA -0.106 62.165 62.300 -0.049 0.000 0.969 1155 V CB 1.359 33.150 31.823 -0.053 0.000 0.995 1155 V HN 0.771 nan 8.190 nan 0.000 0.471 1156 T N 3.360 117.849 114.554 -0.109 0.000 2.885 1156 T HA 0.681 5.031 4.350 -0.000 0.000 0.285 1156 T C -0.141 174.429 174.700 -0.216 0.000 1.019 1156 T CA -0.304 61.709 62.100 -0.145 0.000 1.010 1156 T CB 1.685 70.501 68.868 -0.087 0.000 1.022 1156 T HN 0.910 nan 8.240 nan 0.000 0.466 1157 A N 1.925 124.564 122.820 -0.302 0.000 2.260 1157 A HA 0.654 4.974 4.320 -0.000 0.000 0.308 1157 A C 0.207 177.723 177.584 -0.114 0.000 1.254 1157 A CA -0.514 51.306 52.037 -0.361 0.000 0.874 1157 A CB 0.603 19.200 19.000 -0.672 0.000 1.153 1157 A HN 0.623 nan 8.150 nan 0.000 0.527 1158 S N 1.920 117.567 115.700 -0.087 0.000 2.520 1158 S HA 0.531 5.001 4.470 -0.000 0.000 0.324 1158 S C -0.136 174.471 174.600 0.011 0.000 1.069 1158 S CA -0.318 57.873 58.200 -0.016 0.000 1.121 1158 S CB 0.356 63.545 63.200 -0.018 0.000 0.971 1158 S HN 0.983 nan 8.310 nan 0.000 0.463 1159 S N 3.226 118.935 115.700 0.013 0.000 2.501 1159 S HA 0.371 4.841 4.470 -0.000 0.000 0.301 1159 S C 0.387 174.976 174.600 -0.019 0.000 1.096 1159 S CA -0.615 57.572 58.200 -0.020 0.000 1.063 1159 S CB 1.237 64.356 63.200 -0.134 0.000 1.042 1159 S HN 0.695 nan 8.310 nan 0.000 0.494 1160 D N 1.972 122.373 120.400 0.001 0.000 2.363 1160 D HA 0.111 4.751 4.640 -0.000 0.000 0.226 1160 D C 0.690 176.988 176.300 -0.004 0.000 1.020 1160 D CA 0.789 54.801 54.000 0.019 0.000 0.892 1160 D CB 0.181 41.014 40.800 0.056 0.000 0.900 1160 D HN 0.720 nan 8.370 nan 0.000 0.531 1161 T N -4.141 110.372 114.554 -0.069 0.000 2.906 1161 T HA 0.285 4.635 4.350 -0.000 0.000 0.295 1161 T C 0.489 175.125 174.700 -0.107 0.000 1.075 1161 T CA -0.874 61.196 62.100 -0.049 0.000 1.005 1161 T CB 1.153 69.986 68.868 -0.059 0.000 1.136 1161 T HN -0.126 nan 8.240 nan 0.000 0.498 1162 F N 0.027 119.850 119.950 -0.211 0.000 2.416 1162 F HA 0.199 4.726 4.527 -0.000 0.000 0.296 1162 F C 1.020 176.477 175.800 -0.571 0.000 1.099 1162 F CA 0.733 58.487 58.000 -0.410 0.000 1.427 1162 F CB -0.022 38.681 39.000 -0.495 0.000 1.079 1162 F HN 0.690 nan 8.300 nan 0.000 0.536 1163 Y N 0.567 120.815 120.300 -0.086 0.000 2.344 1163 Y HA 0.139 4.689 4.550 -0.000 0.000 0.261 1163 Y C -0.506 175.215 175.900 -0.298 0.000 1.080 1163 Y CA 0.407 58.417 58.100 -0.149 0.000 1.151 1163 Y CB -1.797 36.664 38.460 0.002 0.000 1.059 1163 Y HN -0.225 nan 8.280 nan 0.000 0.490 1164 P HA -0.060 nan 4.420 nan 0.000 0.219 1164 P C 1.409 178.400 177.300 -0.515 0.000 1.150 1164 P CA 2.029 64.987 63.100 -0.236 0.000 0.814 1164 P CB -0.138 31.499 31.700 -0.105 0.000 0.787 1165 G N 0.132 108.503 108.800 -0.715 0.000 2.509 1165 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.218 1165 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.218 1165 G C 1.346 175.746 174.900 -0.832 0.000 1.124 1165 G CA 0.247 44.631 45.100 -1.194 0.000 0.776 1165 G HN 0.366 nan 8.290 nan 0.000 0.547 1166 Q N -0.464 118.844 119.800 -0.819 0.000 2.188 1166 Q HA 0.196 4.536 4.340 -0.000 0.000 0.212 1166 Q C 0.041 175.691 176.000 -0.584 0.000 0.846 1166 Q CA -0.273 54.812 55.803 -1.197 0.000 0.989 1166 Q CB 0.433 28.380 28.738 -1.318 0.000 1.114 1166 Q HN 0.601 nan 8.270 nan 0.000 0.488 1167 E N 1.852 121.827 120.200 -0.375 0.000 2.199 1167 E HA -0.244 4.106 4.350 -0.000 0.000 0.208 1167 E C -0.971 175.421 176.600 -0.346 0.000 1.310 1167 E CA 0.130 56.359 56.400 -0.286 0.000 0.709 1167 E CB -0.323 29.355 29.700 -0.036 0.000 1.127 1167 E HN 0.335 nan 8.360 nan 0.000 0.354 1168 R N 0.289 120.583 120.500 -0.344 0.000 2.297 1168 R HA 0.191 4.531 4.340 -0.000 0.000 0.308 1168 R C 0.194 176.343 176.300 -0.251 0.000 1.029 1168 R CA -0.203 55.788 56.100 -0.181 0.000 0.929 1168 R CB 0.489 30.758 30.300 -0.052 0.000 1.046 1168 R HN 0.224 nan 8.270 nan 0.000 0.461 1169 Y N -0.298 120.034 120.300 0.053 0.000 2.444 1169 Y HA 0.088 4.638 4.550 -0.000 0.000 0.249 1169 Y C 0.214 176.141 175.900 0.045 0.000 1.134 1169 Y CA -0.168 57.958 58.100 0.043 0.000 1.261 1169 Y CB 0.645 39.121 38.460 0.027 0.000 1.143 1169 Y HN 0.449 nan 8.280 nan 0.000 0.523 1170 D N 1.581 122.095 120.400 0.189 0.000 2.688 1170 D HA 0.091 4.731 4.640 -0.000 0.000 0.228 1170 D C 0.424 176.788 176.300 0.108 0.000 1.116 1170 D CA 0.348 54.432 54.000 0.141 0.000 1.023 1170 D CB -0.163 40.721 40.800 0.141 0.000 1.100 1170 D HN 0.261 nan 8.370 nan 0.000 0.487 1171 T N -3.370 111.221 114.554 0.062 0.000 2.831 1171 T HA 0.163 4.513 4.350 -0.000 0.000 0.287 1171 T C 1.004 175.714 174.700 0.017 0.000 1.070 1171 T CA -0.821 61.271 62.100 -0.014 0.000 1.010 1171 T CB 1.074 69.915 68.868 -0.044 0.000 1.264 1171 T HN 0.028 nan 8.240 nan 0.000 0.532 1172 Y N 1.734 121.976 120.300 -0.097 0.000 2.097 1172 Y HA -0.136 4.414 4.550 -0.000 0.000 0.282 1172 Y C 2.711 178.596 175.900 -0.025 0.000 1.152 1172 Y CA 2.781 60.845 58.100 -0.059 0.000 1.136 1172 Y CB -0.654 37.761 38.460 -0.074 0.000 0.975 1172 Y HN 0.745 nan 8.280 nan 0.000 0.498 1173 S N -1.217 114.355 115.700 -0.213 0.000 2.478 1173 S HA 0.191 4.661 4.470 -0.000 0.000 0.222 1173 S C 1.894 176.418 174.600 -0.126 0.000 1.008 1173 S CA 0.545 58.580 58.200 -0.275 0.000 0.928 1173 S CB -0.531 62.622 63.200 -0.078 0.000 0.781 1173 S HN 1.023 nan 8.310 nan 0.000 0.518 1174 G N 1.628 110.409 108.800 -0.031 0.000 2.166 1174 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.260 1174 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.260 1174 G C 0.042 175.041 174.900 0.165 0.000 0.986 1174 G CA 0.548 45.693 45.100 0.074 0.000 0.683 1174 G HN 0.853 nan 8.290 nan 0.000 0.527 1175 R N -0.503 120.053 120.500 0.095 0.000 2.532 1175 R HA 0.673 5.013 4.340 -0.000 0.000 0.295 1175 R C -0.891 175.452 176.300 0.072 0.000 0.968 1175 R CA -0.636 55.534 56.100 0.117 0.000 0.916 1175 R CB 1.710 32.046 30.300 0.059 0.000 1.124 1175 R HN 0.107 nan 8.270 nan 0.000 0.463 1176 V N 4.783 124.761 119.914 0.107 0.000 2.531 1176 V HA 0.231 4.351 4.120 -0.000 0.000 0.301 1176 V C 0.027 176.187 176.094 0.110 0.000 1.034 1176 V CA -0.886 61.431 62.300 0.027 0.000 0.865 1176 V CB 1.701 33.440 31.823 -0.139 0.000 0.995 1176 V HN 0.677 nan 8.190 nan 0.000 0.424 1177 V N 5.918 125.907 119.914 0.126 0.000 3.032 1177 V HA 0.069 4.189 4.120 -0.000 0.000 0.307 1177 V C 1.863 178.020 176.094 0.105 0.000 1.097 1177 V CA 0.752 63.124 62.300 0.120 0.000 1.191 1177 V CB 0.964 32.872 31.823 0.140 0.000 0.964 1177 V HN 0.985 nan 8.190 nan 0.000 0.494 1178 R N 3.668 124.201 120.500 0.054 0.000 2.113 1178 R HA -0.241 4.099 4.340 -0.000 0.000 0.244 1178 R C 2.268 178.548 176.300 -0.034 0.000 1.142 1178 R CA 2.583 58.694 56.100 0.019 0.000 0.953 1178 R CB -0.417 29.884 30.300 0.000 0.000 0.860 1178 R HN 0.843 nan 8.270 nan 0.000 0.438 1179 R N -0.628 119.811 120.500 -0.102 0.000 2.133 1179 R HA -0.182 4.158 4.340 -0.000 0.000 0.247 1179 R C 1.299 177.341 176.300 -0.431 0.000 1.151 1179 R CA 2.174 58.084 56.100 -0.316 0.000 0.971 1179 R CB -0.249 29.762 30.300 -0.481 0.000 0.866 1179 R HN 0.362 nan 8.270 nan 0.000 0.447 1180 F N 0.241 120.207 119.950 0.027 0.000 2.678 1180 F HA 0.289 4.816 4.527 -0.000 0.000 0.305 1180 F C 0.369 176.173 175.800 0.007 0.000 1.090 1180 F CA -0.485 57.529 58.000 0.024 0.000 1.272 1180 F CB 0.473 39.488 39.000 0.027 0.000 1.060 1180 F HN -0.279 nan 8.300 nan 0.000 0.576 1181 K N 0.952 121.438 120.400 0.143 0.000 2.447 1181 K HA 0.196 4.516 4.320 -0.000 0.000 0.281 1181 K C 1.157 177.805 176.600 0.079 0.000 1.031 1181 K CA 0.876 57.250 56.287 0.146 0.000 1.019 1181 K CB 0.322 32.891 32.500 0.115 0.000 0.918 1181 K HN 0.386 nan 8.250 nan 0.000 0.476 1182 G N 1.927 110.788 108.800 0.103 0.000 2.168 1182 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.263 1182 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.263 1182 G C 0.941 175.803 174.900 -0.062 0.000 0.977 1182 G CA 0.890 46.005 45.100 0.025 0.000 0.659 1182 G HN 0.680 nan 8.290 nan 0.000 0.533 1183 S N -0.767 114.904 115.700 -0.048 0.000 2.387 1183 S HA 0.084 4.554 4.470 -0.000 0.000 0.226 1183 S C 2.249 176.653 174.600 -0.327 0.000 1.026 1183 S CA 1.527 59.567 58.200 -0.266 0.000 0.972 1183 S CB -0.266 62.951 63.200 0.029 0.000 0.814 1183 S HN 0.607 nan 8.310 nan 0.000 0.477 1184 M N 2.445 122.082 119.600 0.061 0.000 2.080 1184 M HA -0.195 4.285 4.480 -0.000 0.000 0.260 1184 M C 2.417 178.756 176.300 0.066 0.000 1.068 1184 M CA 2.263 57.689 55.300 0.210 0.000 1.109 1184 M CB -0.390 32.378 32.600 0.280 0.000 1.342 1184 M HN 0.639 nan 8.290 nan 0.000 0.405 1185 E N -0.433 119.773 120.200 0.010 0.000 2.153 1185 E HA -0.237 4.112 4.350 -0.000 0.000 0.194 1185 E C 1.519 178.087 176.600 -0.053 0.000 0.988 1185 E CA 1.580 57.979 56.400 -0.003 0.000 0.811 1185 E CB -0.524 29.173 29.700 -0.004 0.000 0.746 1185 E HN 0.658 nan 8.360 nan 0.000 0.466 1186 E N 0.726 120.821 120.200 -0.175 0.000 2.047 1186 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 1186 E C 1.792 178.312 176.600 -0.132 0.000 0.987 1186 E CA 1.554 57.806 56.400 -0.247 0.000 0.799 1186 E CB -0.267 29.151 29.700 -0.470 0.000 0.752 1186 E HN 0.463 nan 8.360 nan 0.000 0.449 1187 W N 1.432 122.743 121.300 0.020 0.000 2.363 1187 W HA -0.165 4.495 4.660 -0.000 0.000 0.296 1187 W C 2.446 178.937 176.519 -0.046 0.000 1.212 1187 W CA 0.240 57.569 57.345 -0.027 0.000 1.260 1187 W CB -0.138 29.269 29.460 -0.087 0.000 1.131 1187 W HN 0.105 nan 8.180 nan 0.000 0.530 1188 Q N 0.489 120.388 119.800 0.165 0.000 2.050 1188 Q HA -0.186 4.153 4.340 -0.000 0.000 0.202 1188 Q C 2.519 178.564 176.000 0.074 0.000 0.980 1188 Q CA 1.797 57.653 55.803 0.089 0.000 0.840 1188 Q CB -0.648 28.127 28.738 0.062 0.000 0.898 1188 Q HN 0.325 nan 8.270 nan 0.000 0.424 1189 A N 0.542 123.396 122.820 0.056 0.000 2.019 1189 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 1189 A C 1.849 179.467 177.584 0.056 0.000 1.164 1189 A CA 1.216 53.277 52.037 0.040 0.000 0.644 1189 A CB -0.357 18.651 19.000 0.014 0.000 0.805 1189 A HN 0.314 nan 8.150 nan 0.000 0.449 1190 M N -1.336 118.320 119.600 0.094 0.000 2.561 1190 M HA 0.188 4.668 4.480 -0.000 0.000 0.238 1190 M C 1.257 177.612 176.300 0.091 0.000 1.131 1190 M CA 0.718 56.084 55.300 0.109 0.000 1.046 1190 M CB 0.263 32.975 32.600 0.188 0.000 1.532 1190 M HN 0.597 nan 8.290 nan 0.000 0.497 1191 G N 0.876 109.724 108.800 0.080 0.000 2.136 1191 G HA2 -0.196 3.763 3.960 -0.000 0.000 0.242 1191 G HA3 -0.196 3.763 3.960 -0.000 0.000 0.242 1191 G C 0.030 174.954 174.900 0.039 0.000 0.989 1191 G CA -0.289 44.848 45.100 0.062 0.000 0.682 1191 G HN 0.308 nan 8.290 nan 0.000 0.522 1192 V N 1.620 121.555 119.914 0.034 0.000 2.655 1192 V HA 0.209 4.329 4.120 -0.000 0.000 0.300 1192 V C 1.862 177.904 176.094 -0.087 0.000 1.044 1192 V CA 1.019 63.291 62.300 -0.047 0.000 1.095 1192 V CB 1.246 33.015 31.823 -0.090 0.000 0.952 1192 V HN 0.405 nan 8.190 nan 0.000 0.485 1193 M N 3.462 122.994 119.600 -0.113 0.000 2.287 1193 M HA 0.116 4.596 4.480 -0.000 0.000 0.266 1193 M C 0.636 176.835 176.300 -0.167 0.000 1.079 1193 M CA 1.211 56.433 55.300 -0.130 0.000 1.146 1193 M CB -0.069 32.472 32.600 -0.098 0.000 1.374 1193 M HN 0.992 nan 8.290 nan 0.000 0.435 1194 N N -2.418 116.157 118.700 -0.208 0.000 3.348 1194 N HA 0.254 4.994 4.740 -0.000 0.000 0.233 1194 N C -1.854 173.495 175.510 -0.268 0.000 1.440 1194 N CA -0.917 52.017 53.050 -0.194 0.000 0.887 1194 N CB 0.965 39.396 38.487 -0.093 0.000 1.410 1194 N HN -0.139 nan 8.380 nan 0.000 0.502 1195 Y N -0.395 119.845 120.300 -0.101 0.000 2.420 1195 Y HA 0.555 5.105 4.550 -0.000 0.000 0.334 1195 Y C 0.059 175.897 175.900 -0.103 0.000 1.094 1195 Y CA -0.098 57.926 58.100 -0.127 0.000 1.126 1195 Y CB 1.742 40.103 38.460 -0.165 0.000 1.217 1195 Y HN 0.894 nan 8.280 nan 0.000 0.462 1196 E N -0.302 119.953 120.200 0.092 0.000 2.368 1196 E HA 0.505 4.855 4.350 -0.000 0.000 0.257 1196 E C -0.963 175.657 176.600 0.033 0.000 1.022 1196 E CA -0.739 55.690 56.400 0.049 0.000 0.886 1196 E CB 1.102 30.820 29.700 0.031 0.000 1.740 1196 E HN 0.458 nan 8.360 nan 0.000 0.456 1197 M N -0.741 118.877 119.600 0.029 0.000 2.289 1197 M HA 0.344 4.824 4.480 -0.000 0.000 0.335 1197 M C -0.007 176.305 176.300 0.021 0.000 0.961 1197 M CA 0.198 55.512 55.300 0.024 0.000 1.018 1197 M CB 0.729 33.350 32.600 0.035 0.000 1.678 1197 M HN 0.468 nan 8.290 nan 0.000 0.589 1198 E N -0.210 120.000 120.200 0.016 0.000 2.474 1198 E HA 0.070 4.420 4.350 -0.000 0.000 0.215 1198 E C 1.855 178.453 176.600 -0.004 0.000 0.867 1198 E CA 0.627 57.033 56.400 0.009 0.000 1.135 1198 E CB 0.422 30.129 29.700 0.011 0.000 1.147 1198 E HN 0.317 nan 8.360 nan 0.000 0.534 1199 S N 0.638 116.335 115.700 -0.005 0.000 2.406 1199 S HA -0.017 4.453 4.470 -0.000 0.000 0.228 1199 S C 2.196 176.788 174.600 -0.014 0.000 1.020 1199 S CA 0.795 58.987 58.200 -0.014 0.000 0.965 1199 S CB -0.149 63.044 63.200 -0.012 0.000 0.798 1199 S HN 0.212 nan 8.310 nan 0.000 0.488 1200 A N 1.831 124.650 122.820 -0.001 0.000 1.908 1200 A HA -0.052 4.268 4.320 -0.000 0.000 0.218 1200 A C 2.429 180.023 177.584 0.016 0.000 1.181 1200 A CA 2.206 54.252 52.037 0.016 0.000 0.627 1200 A CB -1.689 17.330 19.000 0.032 0.000 0.818 1200 A HN 0.568 nan 8.150 nan 0.000 0.445 1201 T N -0.052 114.505 114.554 0.004 0.000 2.701 1201 T HA -0.110 4.240 4.350 -0.000 0.000 0.263 1201 T C 1.882 176.495 174.700 -0.144 0.000 1.040 1201 T CA 1.460 63.543 62.100 -0.030 0.000 1.147 1201 T CB -0.438 68.427 68.868 -0.006 0.000 0.865 1201 T HN 0.353 nan 8.240 nan 0.000 0.426 1202 L N 1.096 122.240 121.223 -0.131 0.000 1.990 1202 L HA -0.048 4.292 4.340 -0.000 0.000 0.213 1202 L C 2.158 178.926 176.870 -0.169 0.000 1.072 1202 L CA 1.770 56.495 54.840 -0.192 0.000 0.755 1202 L CB -0.719 41.264 42.059 -0.127 0.000 0.889 1202 L HN 0.254 nan 8.230 nan 0.000 0.432 1203 L N -1.463 119.714 121.223 -0.077 0.000 2.072 1203 L HA -0.147 4.193 4.340 -0.000 0.000 0.205 1203 L C 2.356 179.231 176.870 0.009 0.000 1.079 1203 L CA 1.551 56.378 54.840 -0.022 0.000 0.752 1203 L CB -1.121 40.946 42.059 0.013 0.000 0.906 1203 L HN 0.277 nan 8.230 nan 0.000 0.436 1204 T N 0.798 115.361 114.554 0.015 0.000 2.746 1204 T HA -0.204 4.146 4.350 -0.000 0.000 0.267 1204 T C 1.880 176.529 174.700 -0.085 0.000 1.039 1204 T CA 1.916 64.056 62.100 0.067 0.000 1.142 1204 T CB -0.230 68.698 68.868 0.100 0.000 0.866 1204 T HN 0.428 nan 8.240 nan 0.000 0.444 1205 M N 0.206 119.637 119.600 -0.281 0.000 2.175 1205 M HA -0.001 4.479 4.480 -0.000 0.000 0.264 1205 M C 2.310 178.429 176.300 -0.302 0.000 1.063 1205 M CA 1.431 56.418 55.300 -0.522 0.000 1.119 1205 M CB -1.214 30.637 32.600 -1.248 0.000 1.377 1205 M HN 0.173 nan 8.290 nan 0.000 0.415 1206 C N 1.514 120.679 119.300 -0.226 0.000 2.476 1206 C HA 0.106 4.566 4.460 -0.000 0.000 0.278 1206 C C 3.298 178.288 174.990 -0.001 0.000 1.274 1206 C CA 1.119 60.070 59.018 -0.112 0.000 1.713 1206 C CB -1.187 26.503 27.740 -0.083 0.000 2.039 1206 C HN 0.759 nan 8.230 nan 0.000 0.484 1207 A N 0.887 123.743 122.820 0.059 0.000 2.067 1207 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 1207 A C 2.144 179.847 177.584 0.199 0.000 1.158 1207 A CA 2.020 54.168 52.037 0.184 0.000 0.661 1207 A CB -0.517 18.677 19.000 0.322 0.000 0.801 1207 A HN 0.714 nan 8.150 nan 0.000 0.452 1208 S N -1.973 113.726 115.700 -0.001 0.000 2.556 1208 S HA 0.156 4.626 4.470 -0.000 0.000 0.216 1208 S C 1.017 175.582 174.600 -0.059 0.000 0.970 1208 S CA 0.227 58.329 58.200 -0.164 0.000 0.912 1208 S CB 0.095 62.996 63.200 -0.498 0.000 0.790 1208 S HN 0.613 nan 8.310 nan 0.000 0.504 1209 Q N 0.394 120.183 119.800 -0.018 0.000 2.135 1209 Q HA 0.384 4.723 4.340 -0.000 0.000 0.222 1209 Q C 0.727 176.744 176.000 0.028 0.000 0.808 1209 Q CA 0.085 55.889 55.803 0.002 0.000 1.049 1209 Q CB 0.993 29.723 28.738 -0.014 0.000 1.168 1209 Q HN 0.640 nan 8.270 nan 0.000 0.483 1210 G N 1.160 109.988 108.800 0.045 0.000 2.153 1210 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.252 1210 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.252 1210 G C -0.064 174.877 174.900 0.068 0.000 0.994 1210 G CA 0.222 45.356 45.100 0.057 0.000 0.698 1210 G HN 0.268 nan 8.290 nan 0.000 0.521 1211 L N -0.780 120.489 121.223 0.077 0.000 2.334 1211 L HA 0.709 5.049 4.340 -0.000 0.000 0.270 1211 L C 0.905 177.849 176.870 0.124 0.000 1.018 1211 L CA -1.213 53.700 54.840 0.122 0.000 0.811 1211 L CB 1.317 43.482 42.059 0.177 0.000 1.271 1211 L HN 0.025 nan 8.230 nan 0.000 0.443 1212 R N 1.180 121.768 120.500 0.147 0.000 2.346 1212 R HA 0.796 5.136 4.340 -0.000 0.000 0.311 1212 R C -0.855 175.545 176.300 0.166 0.000 0.983 1212 R CA -0.539 55.635 56.100 0.123 0.000 0.880 1212 R CB 1.818 32.168 30.300 0.084 0.000 1.100 1212 R HN 0.740 nan 8.270 nan 0.000 0.453 1213 A N 1.330 124.223 122.820 0.121 0.000 2.539 1213 A HA 0.847 5.167 4.320 -0.000 0.000 0.296 1213 A C -0.817 176.810 177.584 0.071 0.000 1.073 1213 A CA -0.640 51.470 52.037 0.121 0.000 0.700 1213 A CB 2.246 21.294 19.000 0.080 0.000 1.296 1213 A HN 0.768 nan 8.150 nan 0.000 0.405 1214 G N -0.387 108.450 108.800 0.062 0.000 2.725 1214 G HA2 0.680 4.640 3.960 -0.000 0.000 0.288 1214 G HA3 0.680 4.640 3.960 -0.000 0.000 0.288 1214 G C -1.187 173.731 174.900 0.030 0.000 1.399 1214 G CA -0.434 44.685 45.100 0.032 0.000 0.859 1214 G HN 1.151 nan 8.290 nan 0.000 0.479 1215 M N 1.095 120.704 119.600 0.016 0.000 2.322 1215 M HA 0.663 5.142 4.480 -0.000 0.000 0.286 1215 M C -1.950 174.355 176.300 0.008 0.000 1.111 1215 M CA -0.800 54.509 55.300 0.015 0.000 0.941 1215 M CB 2.237 34.844 32.600 0.011 0.000 1.671 1215 M HN 0.646 nan 8.290 nan 0.000 0.470 1216 V N 4.077 123.997 119.914 0.011 0.000 2.823 1216 V HA 1.044 5.164 4.120 -0.000 0.000 0.312 1216 V C -1.477 174.626 176.094 0.014 0.000 1.072 1216 V CA -0.059 62.247 62.300 0.010 0.000 0.937 1216 V CB 1.999 33.826 31.823 0.006 0.000 1.013 1216 V HN 1.061 nan 8.190 nan 0.000 0.430 1217 A N 3.664 126.494 122.820 0.017 0.000 2.520 1217 A HA 0.874 5.194 4.320 -0.000 0.000 0.298 1217 A C -0.254 177.346 177.584 0.026 0.000 1.051 1217 A CA -0.117 51.931 52.037 0.019 0.000 0.690 1217 A CB 1.761 20.770 19.000 0.015 0.000 1.281 1217 A HN 1.559 nan 8.150 nan 0.000 0.402 1218 G N 0.197 109.013 108.800 0.027 0.000 2.356 1218 G HA2 0.523 4.483 3.960 -0.000 0.000 0.298 1218 G HA3 0.523 4.483 3.960 -0.000 0.000 0.298 1218 G C -0.470 174.448 174.900 0.029 0.000 1.145 1218 G CA -0.345 44.776 45.100 0.036 0.000 0.850 1218 G HN 0.918 nan 8.290 nan 0.000 0.487 1219 V N 3.538 123.473 119.914 0.034 0.000 2.455 1219 V HA 0.138 4.258 4.120 -0.000 0.000 0.273 1219 V C 1.244 177.350 176.094 0.020 0.000 1.045 1219 V CA 0.021 62.333 62.300 0.020 0.000 0.976 1219 V CB 0.765 32.596 31.823 0.014 0.000 0.993 1219 V HN 0.770 nan 8.190 nan 0.000 0.475 1220 I N 3.260 123.839 120.570 0.016 0.000 4.154 1220 I HA 0.583 4.753 4.170 -0.000 0.000 0.334 1220 I C 0.111 176.237 176.117 0.015 0.000 1.371 1220 I CA 0.154 61.463 61.300 0.015 0.000 1.110 1220 I CB 1.111 39.118 38.000 0.012 0.000 1.085 1220 I HN 0.425 nan 8.210 nan 0.000 0.398 1221 V N 1.108 121.030 119.914 0.014 0.000 3.167 1221 V HA 0.508 4.628 4.120 -0.000 0.000 0.293 1221 V C -2.060 174.036 176.094 0.004 0.000 1.379 1221 V CA -0.519 61.790 62.300 0.014 0.000 1.019 1221 V CB 2.398 34.236 31.823 0.024 0.000 1.115 1221 V HN 0.365 nan 8.190 nan 0.000 0.442 1222 N N 3.458 122.160 118.700 0.003 0.000 2.549 1222 N HA 0.360 5.100 4.740 -0.000 0.000 0.281 1222 N C 0.697 176.210 175.510 0.006 0.000 1.084 1222 N CA -0.343 52.703 53.050 -0.008 0.000 0.862 1222 N CB 1.876 40.348 38.487 -0.025 0.000 1.333 1222 N HN 0.829 nan 8.380 nan 0.000 0.523 1223 R N 0.960 121.468 120.500 0.013 0.000 2.285 1223 R HA -0.046 4.294 4.340 -0.000 0.000 0.213 1223 R C 0.812 177.128 176.300 0.027 0.000 1.068 1223 R CA 1.555 57.670 56.100 0.024 0.000 1.004 1223 R CB -0.493 29.825 30.300 0.029 0.000 0.873 1223 R HN 0.431 nan 8.270 nan 0.000 0.467 1224 T N -2.610 111.955 114.554 0.018 0.000 3.107 1224 T HA 0.093 4.443 4.350 -0.000 0.000 0.249 1224 T C 0.427 175.137 174.700 0.016 0.000 1.096 1224 T CA -0.236 61.876 62.100 0.020 0.000 1.012 1224 T CB 0.185 69.064 68.868 0.017 0.000 0.977 1224 T HN 0.300 nan 8.240 nan 0.000 0.527 1225 Q N 1.066 120.873 119.800 0.012 0.000 2.274 1225 Q HA 0.336 4.676 4.340 -0.000 0.000 0.260 1225 Q C 1.009 177.019 176.000 0.017 0.000 0.974 1225 Q CA -0.667 55.143 55.803 0.013 0.000 0.876 1225 Q CB 2.055 30.798 28.738 0.008 0.000 1.297 1225 Q HN 0.508 nan 8.270 nan 0.000 0.446 1226 Q N 1.251 121.062 119.800 0.017 0.000 2.331 1226 Q HA -0.001 4.338 4.340 -0.000 0.000 0.203 1226 Q C 0.044 176.054 176.000 0.018 0.000 0.944 1226 Q CA 0.498 56.312 55.803 0.018 0.000 0.892 1226 Q CB 0.289 29.037 28.738 0.018 0.000 0.983 1226 Q HN 0.612 nan 8.270 nan 0.000 0.482 1227 E N 1.336 121.545 120.200 0.016 0.000 2.417 1227 E HA 0.077 4.427 4.350 -0.000 0.000 0.261 1227 E C -0.745 175.865 176.600 0.016 0.000 1.000 1227 E CA -0.225 56.184 56.400 0.016 0.000 0.919 1227 E CB 0.505 30.214 29.700 0.015 0.000 0.955 1227 E HN 0.327 nan 8.360 nan 0.000 0.455 1228 I N 6.109 126.689 120.570 0.016 0.000 2.581 1228 I HA 0.165 4.335 4.170 -0.000 0.000 0.288 1228 I C -1.813 174.313 176.117 0.016 0.000 1.047 1228 I CA -2.180 59.130 61.300 0.017 0.000 1.374 1228 I CB 0.741 38.751 38.000 0.018 0.000 1.423 1228 I HN 0.497 nan 8.210 nan 0.000 0.549 1229 P HA 0.073 nan 4.420 nan 0.000 0.268 1229 P C -0.782 176.525 177.300 0.012 0.000 1.205 1229 P CA -0.211 62.897 63.100 0.014 0.000 0.771 1229 P CB 0.217 31.925 31.700 0.014 0.000 0.858 1230 N N 1.287 119.993 118.700 0.011 0.000 2.237 1230 N HA -0.078 4.662 4.740 -0.000 0.000 0.222 1230 N C 1.480 176.993 175.510 0.005 0.000 1.311 1230 N CA 0.272 53.327 53.050 0.009 0.000 0.880 1230 N CB 0.301 38.794 38.487 0.009 0.000 1.106 1230 N HN 0.406 nan 8.380 nan 0.000 0.435 1231 A N 1.162 123.984 122.820 0.003 0.000 1.915 1231 A HA -0.215 4.105 4.320 -0.000 0.000 0.220 1231 A C 1.066 178.647 177.584 -0.005 0.000 1.198 1231 A CA 1.509 53.546 52.037 -0.000 0.000 0.647 1231 A CB -0.397 18.602 19.000 -0.001 0.000 0.825 1231 A HN 0.684 nan 8.150 nan 0.000 0.456 1232 E N 0.641 120.836 120.200 -0.007 0.000 2.705 1232 E HA 0.012 4.362 4.350 -0.000 0.000 0.272 1232 E C 1.143 177.735 176.600 -0.012 0.000 1.528 1232 E CA 0.634 57.025 56.400 -0.015 0.000 1.750 1232 E CB -0.995 28.692 29.700 -0.021 0.000 1.439 1232 E HN 0.614 nan 8.360 nan 0.000 0.449 1233 T N -0.628 113.922 114.554 -0.006 0.000 2.869 1233 T HA -0.194 4.156 4.350 -0.000 0.000 0.270 1233 T C 1.405 176.103 174.700 -0.004 0.000 1.082 1233 T CA 1.494 63.594 62.100 -0.000 0.000 1.123 1233 T CB 0.086 68.957 68.868 0.004 0.000 0.856 1233 T HN 0.265 nan 8.240 nan 0.000 0.499 1234 M N -1.349 118.242 119.600 -0.014 0.000 2.741 1234 M HA 0.304 4.784 4.480 -0.000 0.000 0.211 1234 M C 2.213 178.487 176.300 -0.043 0.000 1.811 1234 M CA -0.164 55.123 55.300 -0.021 0.000 1.185 1234 M CB 0.078 32.666 32.600 -0.021 0.000 1.320 1234 M HN -0.084 nan 8.290 nan 0.000 0.583 1235 K N 1.134 121.504 120.400 -0.051 0.000 2.023 1235 K HA -0.331 3.989 4.320 -0.000 0.000 0.227 1235 K C 2.014 178.535 176.600 -0.131 0.000 1.054 1235 K CA 2.612 58.853 56.287 -0.076 0.000 0.977 1235 K CB -0.613 31.849 32.500 -0.063 0.000 0.733 1235 K HN 0.208 nan 8.250 nan 0.000 0.451 1236 Q N 0.595 120.306 119.800 -0.149 0.000 2.135 1236 Q HA -0.120 4.219 4.340 -0.000 0.000 0.204 1236 Q C 1.884 177.615 176.000 -0.447 0.000 0.981 1236 Q CA 2.271 57.897 55.803 -0.295 0.000 0.856 1236 Q CB -0.206 28.433 28.738 -0.166 0.000 0.902 1236 Q HN 0.339 nan 8.270 nan 0.000 0.425 1237 T N 0.560 115.014 114.554 -0.168 0.000 2.812 1237 T HA -0.078 4.272 4.350 -0.000 0.000 0.264 1237 T C 1.331 175.998 174.700 -0.055 0.000 1.042 1237 T CA 1.235 63.307 62.100 -0.046 0.000 1.140 1237 T CB -0.162 68.716 68.868 0.017 0.000 0.870 1237 T HN 0.409 nan 8.240 nan 0.000 0.445 1238 E N 1.264 121.420 120.200 -0.073 0.000 2.058 1238 E HA -0.124 4.225 4.350 -0.000 0.000 0.194 1238 E C 2.576 179.132 176.600 -0.073 0.000 0.997 1238 E CA 1.355 57.721 56.400 -0.056 0.000 0.801 1238 E CB -0.219 29.447 29.700 -0.056 0.000 0.746 1238 E HN 0.351 nan 8.360 nan 0.000 0.450 1239 S N 0.339 115.952 115.700 -0.145 0.000 2.359 1239 S HA -0.171 4.299 4.470 -0.000 0.000 0.224 1239 S C 1.786 176.349 174.600 -0.063 0.000 1.035 1239 S CA 1.146 59.260 58.200 -0.143 0.000 1.018 1239 S CB -0.371 62.692 63.200 -0.227 0.000 0.876 1239 S HN 0.338 nan 8.310 nan 0.000 0.448 1240 H N 1.489 120.549 119.070 -0.016 0.000 2.353 1240 H HA 0.102 4.658 4.556 -0.000 0.000 0.300 1240 H C 2.480 177.799 175.328 -0.015 0.000 1.090 1240 H CA 1.200 57.239 56.048 -0.015 0.000 1.327 1240 H CB -0.980 28.775 29.762 -0.012 0.000 1.383 1240 H HN 0.435 nan 8.280 nan 0.000 0.508 1241 A N 0.675 123.557 122.820 0.104 0.000 1.933 1241 A HA -0.108 4.211 4.320 -0.000 0.000 0.218 1241 A C 2.835 180.436 177.584 0.028 0.000 1.175 1241 A CA 1.636 53.704 52.037 0.053 0.000 0.628 1241 A CB -0.829 18.190 19.000 0.033 0.000 0.814 1241 A HN 0.230 nan 8.150 nan 0.000 0.444 1242 V N 0.224 120.146 119.914 0.014 0.000 2.343 1242 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 1242 V C 2.526 178.622 176.094 0.004 0.000 1.051 1242 V CA 2.328 64.626 62.300 -0.003 0.000 1.036 1242 V CB -0.632 31.176 31.823 -0.025 0.000 0.654 1242 V HN 0.679 nan 8.190 nan 0.000 0.451 1243 K N 0.019 120.432 120.400 0.023 0.000 2.063 1243 K HA -0.180 4.139 4.320 -0.000 0.000 0.208 1243 K C 2.098 178.707 176.600 0.014 0.000 1.048 1243 K CA 1.808 58.110 56.287 0.025 0.000 0.928 1243 K CB -0.251 32.282 32.500 0.056 0.000 0.713 1243 K HN 0.421 nan 8.250 nan 0.000 0.442 1244 I N 0.318 120.899 120.570 0.018 0.000 2.179 1244 I HA -0.261 3.909 4.170 -0.000 0.000 0.242 1244 I C 2.345 178.460 176.117 -0.003 0.000 1.088 1244 I CA 0.847 62.148 61.300 0.003 0.000 1.357 1244 I CB -0.200 37.803 38.000 0.004 0.000 1.051 1244 I HN 0.060 nan 8.210 nan 0.000 0.409 1245 V N 0.349 120.263 119.914 0.000 0.000 2.427 1245 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 1245 V C 2.364 178.454 176.094 -0.007 0.000 1.051 1245 V CA 1.638 63.936 62.300 -0.003 0.000 1.048 1245 V CB 0.148 31.972 31.823 0.002 0.000 0.666 1245 V HN 0.214 nan 8.190 nan 0.000 0.456 1246 V N -0.080 119.829 119.914 -0.008 0.000 2.358 1246 V HA -0.152 3.968 4.120 -0.000 0.000 0.246 1246 V C 2.616 178.703 176.094 -0.011 0.000 1.047 1246 V CA 1.997 64.291 62.300 -0.010 0.000 1.035 1246 V CB -0.670 31.147 31.823 -0.010 0.000 0.658 1246 V HN 0.544 nan 8.190 nan 0.000 0.452 1247 E N 0.318 120.512 120.200 -0.011 0.000 2.150 1247 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 1247 E C 2.317 178.906 176.600 -0.019 0.000 0.985 1247 E CA 1.354 57.746 56.400 -0.014 0.000 0.814 1247 E CB -0.448 29.243 29.700 -0.014 0.000 0.752 1247 E HN 0.575 nan 8.360 nan 0.000 0.466 1248 A N 1.389 124.197 122.820 -0.021 0.000 1.898 1248 A HA -0.027 4.293 4.320 -0.000 0.000 0.216 1248 A C 2.414 179.983 177.584 -0.025 0.000 1.181 1248 A CA 1.769 53.790 52.037 -0.027 0.000 0.620 1248 A CB -0.510 18.473 19.000 -0.027 0.000 0.819 1248 A HN 0.252 nan 8.150 nan 0.000 0.442 1249 A N -0.314 122.493 122.820 -0.020 0.000 1.978 1249 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 1249 A C 2.224 179.795 177.584 -0.022 0.000 1.170 1249 A CA 1.688 53.711 52.037 -0.022 0.000 0.636 1249 A CB -0.511 18.477 19.000 -0.020 0.000 0.810 1249 A HN 0.539 nan 8.150 nan 0.000 0.448 1250 R N -0.373 120.116 120.500 -0.018 0.000 2.120 1250 R HA -0.087 4.253 4.340 -0.000 0.000 0.234 1250 R C 1.890 178.179 176.300 -0.018 0.000 1.123 1250 R CA 1.429 57.519 56.100 -0.016 0.000 0.975 1250 R CB -0.131 30.160 30.300 -0.014 0.000 0.866 1250 R HN 0.530 nan 8.270 nan 0.000 0.446 1251 R N -0.452 120.035 120.500 -0.021 0.000 2.297 1251 R HA 0.088 4.428 4.340 -0.000 0.000 0.197 1251 R C 1.312 177.598 176.300 -0.022 0.000 0.943 1251 R CA 0.356 56.443 56.100 -0.023 0.000 1.038 1251 R CB 0.323 30.606 30.300 -0.030 0.000 0.957 1251 R HN 0.220 nan 8.270 nan 0.000 0.484 1252 L N 0.239 121.448 121.223 -0.023 0.000 2.766 1252 L HA 0.244 4.584 4.340 -0.000 0.000 0.242 1252 L C 0.357 177.215 176.870 -0.021 0.000 1.136 1252 L CA -0.184 54.642 54.840 -0.022 0.000 0.933 1252 L CB 0.312 42.356 42.059 -0.025 0.000 1.241 1252 L HN 0.039 nan 8.230 nan 0.000 0.522 1253 L N 0.000 121.211 121.223 -0.020 0.000 2.949 1253 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 1253 L CA 0.000 54.828 54.840 -0.021 0.000 0.813 1253 L CB 0.000 42.048 42.059 -0.019 0.000 0.961 1253 L HN 0.000 nan 8.230 nan 0.000 0.502