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 1cvi_1_A DATA FIRST_RESID 1001 DATA SEQUENCE KELKFVTLVF RHGDRSPIDT FPTDPIKESS WPQGFGQLTQ LGMEQHYELG DATA SEQUENCE EYIRKRYRKF LNESYKHEQV YIRSTDVDRT LMSAMTNLAA LFPPEGVSIW DATA SEQUENCE NPILLWQPIP VHTVPLSEDQ LLYLPFRNcP RFQELESETL KSEEFQKRLH DATA SEQUENCE PYKDFIATLG KLSGLHGQDL FGIWSKVYDP LYCESVHNFT LPSWATEDTM DATA SEQUENCE TKLRELSELS LLSLYGIHKQ KEKSRLQGGV LVNEILNHMK RATQIPSYKK DATA SEQUENCE LIMYSAHDTT VSGLQMALDV YNGLLPPYAS CHLTELYFEK GEYFVEMYYR DATA SEQUENCE NETQHEPYPL MLPGcSPScP LERFAELVGP VIPQDWSTEc MT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1001 K HA 0.000 nan 4.320 nan 0.000 0.191 1001 K C 0.000 176.713 176.600 0.188 0.000 0.988 1001 K CA 0.000 56.316 56.287 0.047 0.000 0.838 1001 K CB 0.000 32.443 32.500 -0.095 0.000 1.064 1002 E N 4.606 125.012 120.200 0.344 0.000 2.274 1002 E HA 0.236 4.586 4.350 0.000 0.000 0.269 1002 E C -1.478 175.378 176.600 0.426 0.000 0.891 1002 E CA -0.934 55.690 56.400 0.373 0.000 0.784 1002 E CB 1.229 31.149 29.700 0.366 0.000 1.225 1002 E HN 0.496 nan 8.360 nan 0.000 0.412 1003 L N 4.696 126.100 121.223 0.302 0.000 2.410 1003 L HA 0.183 4.523 4.340 0.000 0.000 0.273 1003 L C 0.496 177.415 176.870 0.082 0.000 1.152 1003 L CA 0.895 55.680 54.840 -0.092 0.000 0.855 1003 L CB 0.558 42.415 42.059 -0.337 0.000 1.129 1003 L HN 0.648 nan 8.230 nan 0.000 0.463 1004 K N 4.108 124.531 120.400 0.037 0.000 2.362 1004 K HA 0.201 4.521 4.320 0.000 0.000 0.203 1004 K C -0.546 176.313 176.600 0.431 0.000 1.198 1004 K CA 0.192 56.664 56.287 0.308 0.000 0.908 1004 K CB 0.793 33.480 32.500 0.311 0.000 1.236 1004 K HN 0.481 nan 8.250 nan 0.000 0.487 1005 F N 0.724 120.645 119.950 -0.049 0.000 2.619 1005 F HA 0.466 4.993 4.527 0.000 0.000 0.308 1005 F C -1.712 173.929 175.800 -0.264 0.000 1.097 1005 F CA -1.122 56.877 58.000 -0.001 0.000 0.953 1005 F CB 1.801 40.828 39.000 0.046 0.000 1.287 1005 F HN -0.279 nan 8.300 nan 0.000 0.446 1006 V N 3.283 122.578 119.914 -1.032 0.000 2.932 1006 V HA 0.824 4.944 4.120 0.000 0.000 0.307 1006 V C -1.630 173.920 176.094 -0.907 0.000 1.147 1006 V CA -0.089 61.696 62.300 -0.858 0.000 0.951 1006 V CB 2.232 33.547 31.823 -0.845 0.000 1.031 1006 V HN 0.943 nan 8.190 nan 0.000 0.426 1007 T N 7.505 121.762 114.554 -0.496 0.000 2.848 1007 T HA 0.722 5.072 4.350 0.000 0.000 0.285 1007 T C -0.784 173.878 174.700 -0.063 0.000 0.995 1007 T CA -0.352 61.573 62.100 -0.293 0.000 0.970 1007 T CB 1.261 70.073 68.868 -0.093 0.000 0.976 1007 T HN 0.708 nan 8.240 nan 0.000 0.441 1008 L N 2.612 123.792 121.223 -0.072 0.000 2.362 1008 L HA 0.843 5.184 4.340 0.000 0.000 0.275 1008 L C -0.492 176.323 176.870 -0.092 0.000 0.998 1008 L CA -1.301 53.549 54.840 0.017 0.000 0.820 1008 L CB 1.998 44.103 42.059 0.077 0.000 1.270 1008 L HN 0.450 nan 8.230 nan 0.000 0.415 1009 V N 4.386 124.307 119.914 0.013 0.000 2.409 1009 V HA 0.659 4.779 4.120 0.000 0.000 0.290 1009 V C -1.058 175.068 176.094 0.053 0.000 1.017 1009 V CA -0.258 62.015 62.300 -0.046 0.000 0.841 1009 V CB 1.043 32.895 31.823 0.049 0.000 1.003 1009 V HN 0.569 nan 8.190 nan 0.000 0.426 1010 F N 4.188 124.267 119.950 0.216 0.000 2.618 1010 F HA 0.817 5.344 4.527 0.000 0.000 0.332 1010 F C -0.297 175.625 175.800 0.203 0.000 1.061 1010 F CA -1.846 56.290 58.000 0.228 0.000 0.974 1010 F CB 1.205 40.371 39.000 0.278 0.000 1.310 1010 F HN 0.702 nan 8.300 nan 0.000 0.491 1011 R N 0.649 121.458 120.500 0.516 0.000 2.536 1011 R HA 0.433 4.773 4.340 0.000 0.000 0.279 1011 R C -0.533 175.975 176.300 0.347 0.000 1.001 1011 R CA -0.561 55.711 56.100 0.286 0.000 1.027 1011 R CB 0.697 31.065 30.300 0.113 0.000 1.096 1011 R HN 0.944 nan 8.270 nan 0.000 0.502 1012 H N 0.612 119.899 119.070 0.362 0.000 2.801 1012 H HA 0.319 4.875 4.556 0.000 0.000 0.377 1012 H C 0.597 176.197 175.328 0.454 0.000 1.304 1012 H CA -0.059 56.194 56.048 0.341 0.000 1.451 1012 H CB 0.122 29.979 29.762 0.159 0.000 1.474 1012 H HN 0.824 nan 8.280 nan 0.000 0.620 1013 G N -0.288 108.891 108.800 0.633 0.000 2.611 1013 G HA2 0.082 4.042 3.960 0.000 0.000 0.273 1013 G HA3 0.082 4.042 3.960 0.000 0.000 0.273 1013 G C -0.489 174.501 174.900 0.151 0.000 1.305 1013 G CA -0.297 45.034 45.100 0.384 0.000 1.010 1013 G HN 0.915 nan 8.290 nan 0.000 0.509 1014 D N -0.861 119.302 120.400 -0.395 0.000 2.478 1014 D HA 0.319 4.959 4.640 0.000 0.000 0.234 1014 D C 0.598 176.693 176.300 -0.341 0.000 1.154 1014 D CA 0.523 53.890 54.000 -1.055 0.000 0.874 1014 D CB 0.415 40.862 40.800 -0.588 0.000 1.198 1014 D HN 0.611 nan 8.370 nan 0.000 0.455 1015 R N 0.012 120.373 120.500 -0.230 0.000 2.734 1015 R HA 0.558 4.898 4.340 0.000 0.000 0.271 1015 R C -0.648 175.571 176.300 -0.135 0.000 1.021 1015 R CA -0.944 55.117 56.100 -0.065 0.000 0.893 1015 R CB 0.438 30.730 30.300 -0.014 0.000 1.244 1015 R HN 0.326 nan 8.270 nan 0.000 0.464 1016 S N 0.970 116.489 115.700 -0.301 0.000 2.596 1016 S HA 0.443 4.913 4.470 0.000 0.000 0.260 1016 S C -1.802 172.437 174.600 -0.602 0.000 1.336 1016 S CA -0.860 56.873 58.200 -0.779 0.000 0.993 1016 S CB 0.237 62.993 63.200 -0.740 0.000 0.923 1016 S HN 0.626 nan 8.310 nan 0.000 0.567 1017 P HA 0.162 nan 4.420 nan 0.000 0.271 1017 P C 0.760 177.717 177.300 -0.571 0.000 1.233 1017 P CA -0.390 62.354 63.100 -0.593 0.000 0.789 1017 P CB 0.251 31.544 31.700 -0.678 0.000 0.951 1018 I N -2.969 117.318 120.570 -0.472 0.000 2.867 1018 I HA 0.324 4.494 4.170 0.000 0.000 0.265 1018 I C 0.749 176.548 176.117 -0.530 0.000 1.162 1018 I CA 0.900 61.998 61.300 -0.338 0.000 1.471 1018 I CB -0.061 37.831 38.000 -0.180 0.000 1.123 1018 I HN 0.167 nan 8.210 nan 0.000 0.440 1019 D N -0.306 119.655 120.400 -0.732 0.000 2.728 1019 D HA 0.224 4.864 4.640 0.000 0.000 0.249 1019 D C -1.455 174.546 176.300 -0.498 0.000 1.225 1019 D CA -0.154 53.455 54.000 -0.651 0.000 0.748 1019 D CB 2.531 43.198 40.800 -0.221 0.000 1.326 1019 D HN -0.028 nan 8.370 nan 0.000 0.426 1020 T N 0.279 114.639 114.554 -0.322 0.000 2.883 1020 T HA 0.659 5.009 4.350 0.000 0.000 0.296 1020 T C -0.521 174.147 174.700 -0.054 0.000 1.117 1020 T CA -0.672 61.321 62.100 -0.180 0.000 1.006 1020 T CB 0.507 69.201 68.868 -0.289 0.000 1.191 1020 T HN 0.230 nan 8.240 nan 0.000 0.508 1021 F N 2.271 122.255 119.950 0.057 0.000 2.459 1021 F HA 0.449 4.976 4.527 0.000 0.000 0.346 1021 F C -1.400 174.461 175.800 0.101 0.000 1.128 1021 F CA -2.254 55.795 58.000 0.081 0.000 1.268 1021 F CB -0.837 38.230 39.000 0.112 0.000 1.161 1021 F HN 0.328 nan 8.300 nan 0.000 0.583 1022 P HA -0.242 nan 4.420 nan 0.000 0.217 1022 P C 1.280 178.638 177.300 0.097 0.000 1.158 1022 P CA 2.404 65.569 63.100 0.110 0.000 0.887 1022 P CB -0.401 31.382 31.700 0.138 0.000 0.792 1023 T N -1.249 113.465 114.554 0.266 0.000 2.915 1023 T HA -0.108 4.242 4.350 0.000 0.000 0.269 1023 T C 0.663 175.445 174.700 0.138 0.000 1.071 1023 T CA 0.748 63.031 62.100 0.303 0.000 1.132 1023 T CB -1.027 68.178 68.868 0.562 0.000 0.878 1023 T HN 0.168 nan 8.240 nan 0.000 0.479 1024 D N 2.709 122.874 120.400 -0.393 0.000 2.479 1024 D HA -0.000 4.640 4.640 0.000 0.000 0.257 1024 D C -1.252 174.970 176.300 -0.131 0.000 1.230 1024 D CA -1.686 52.024 54.000 -0.483 0.000 0.912 1024 D CB 0.995 41.152 40.800 -1.071 0.000 1.130 1024 D HN 0.136 nan 8.370 nan 0.000 0.515 1025 P HA -0.024 nan 4.420 nan 0.000 0.237 1025 P C 0.122 177.447 177.300 0.041 0.000 1.178 1025 P CA 0.245 63.366 63.100 0.034 0.000 0.766 1025 P CB 0.174 31.910 31.700 0.060 0.000 0.876 1026 I N 0.546 121.142 120.570 0.043 0.000 2.206 1026 I HA 0.213 4.383 4.170 0.000 0.000 0.292 1026 I C 0.745 176.952 176.117 0.149 0.000 1.156 1026 I CA -1.126 60.224 61.300 0.083 0.000 1.356 1026 I CB -1.071 36.971 38.000 0.071 0.000 1.494 1026 I HN -0.196 nan 8.210 nan 0.000 0.601 1027 K N 2.151 122.615 120.400 0.107 0.000 2.156 1027 K HA 0.036 4.356 4.320 0.000 0.000 0.242 1027 K C 1.399 178.062 176.600 0.106 0.000 1.033 1027 K CA -0.125 56.243 56.287 0.135 0.000 0.878 1027 K CB 0.832 33.363 32.500 0.052 0.000 1.057 1027 K HN 0.349 nan 8.250 nan 0.000 0.505 1028 E N 0.611 120.732 120.200 -0.132 0.000 2.068 1028 E HA -0.296 4.054 4.350 0.000 0.000 0.207 1028 E C 1.346 177.817 176.600 -0.216 0.000 1.032 1028 E CA 2.521 58.537 56.400 -0.641 0.000 0.839 1028 E CB -0.129 29.089 29.700 -0.803 0.000 0.758 1028 E HN 0.612 nan 8.360 nan 0.000 0.457 1029 S N -0.185 115.434 115.700 -0.134 0.000 2.444 1029 S HA -0.244 4.226 4.470 0.000 0.000 0.244 1029 S C 2.021 176.588 174.600 -0.056 0.000 1.025 1029 S CA 1.379 59.533 58.200 -0.077 0.000 0.995 1029 S CB -0.439 62.728 63.200 -0.055 0.000 0.781 1029 S HN 0.181 nan 8.310 nan 0.000 0.496 1030 S N 0.161 115.824 115.700 -0.062 0.000 2.453 1030 S HA 0.055 4.525 4.470 0.000 0.000 0.231 1030 S C 0.095 174.526 174.600 -0.282 0.000 1.005 1030 S CA 0.378 58.482 58.200 -0.160 0.000 0.949 1030 S CB -0.196 62.883 63.200 -0.202 0.000 0.774 1030 S HN 0.692 nan 8.310 nan 0.000 0.510 1031 W N 1.425 122.690 121.300 -0.059 0.000 2.417 1031 W HA 0.382 5.042 4.660 0.000 0.000 0.317 1031 W C -1.884 174.593 176.519 -0.070 0.000 1.121 1031 W CA -2.355 54.953 57.345 -0.062 0.000 1.208 1031 W CB -0.044 29.365 29.460 -0.085 0.000 1.253 1031 W HN -0.047 nan 8.180 nan 0.000 0.533 1032 P HA -0.261 nan 4.420 nan 0.000 0.214 1032 P C 0.472 177.806 177.300 0.056 0.000 1.172 1032 P CA 2.024 65.172 63.100 0.079 0.000 0.925 1032 P CB 0.287 32.035 31.700 0.080 0.000 0.793 1033 Q N -0.910 118.931 119.800 0.067 0.000 2.225 1033 Q HA 0.471 4.812 4.340 0.000 0.000 0.259 1033 Q C 0.818 176.822 176.000 0.007 0.000 0.872 1033 Q CA 0.314 56.132 55.803 0.024 0.000 1.042 1033 Q CB 0.016 28.763 28.738 0.016 0.000 1.142 1033 Q HN 0.253 nan 8.270 nan 0.000 0.463 1034 G N 0.234 109.038 108.800 0.008 0.000 2.697 1034 G HA2 -0.280 3.680 3.960 0.000 0.000 0.240 1034 G HA3 -0.280 3.680 3.960 0.000 0.000 0.240 1034 G C -0.602 174.259 174.900 -0.064 0.000 1.346 1034 G CA -0.810 44.227 45.100 -0.105 0.000 0.887 1034 G HN 0.173 nan 8.290 nan 0.000 0.569 1035 F N 1.372 121.264 119.950 -0.097 0.000 2.406 1035 F HA 0.487 5.014 4.527 0.000 0.000 0.327 1035 F C 1.957 177.665 175.800 -0.154 0.000 1.153 1035 F CA 0.634 58.514 58.000 -0.201 0.000 1.218 1035 F CB 0.635 39.544 39.000 -0.152 0.000 1.215 1035 F HN 1.904 nan 8.300 nan 0.000 0.570 1036 G N 0.904 109.719 108.800 0.025 0.000 2.220 1036 G HA2 -0.303 3.658 3.960 0.000 0.000 0.269 1036 G HA3 -0.303 3.658 3.960 0.000 0.000 0.269 1036 G C 0.350 175.214 174.900 -0.061 0.000 0.977 1036 G CA 0.167 45.250 45.100 -0.029 0.000 0.634 1036 G HN 0.582 nan 8.290 nan 0.000 0.539 1037 Q N -0.366 119.401 119.800 -0.055 0.000 2.299 1037 Q HA 0.670 5.010 4.340 0.000 0.000 0.246 1037 Q C 0.308 176.267 176.000 -0.069 0.000 0.935 1037 Q CA -0.794 54.977 55.803 -0.053 0.000 0.887 1037 Q CB 1.203 29.927 28.738 -0.024 0.000 1.223 1037 Q HN 0.547 nan 8.270 nan 0.000 0.439 1038 L N 2.516 123.705 121.223 -0.057 0.000 2.360 1038 L HA 0.326 4.667 4.340 0.000 0.000 0.276 1038 L C -0.095 176.771 176.870 -0.008 0.000 1.121 1038 L CA 0.180 54.996 54.840 -0.040 0.000 0.845 1038 L CB 0.503 42.546 42.059 -0.027 0.000 1.143 1038 L HN 0.774 nan 8.230 nan 0.000 0.452 1039 T N 0.800 115.358 114.554 0.006 0.000 2.868 1039 T HA 0.159 4.509 4.350 0.000 0.000 0.292 1039 T C 0.888 175.624 174.700 0.060 0.000 1.028 1039 T CA -0.170 61.967 62.100 0.062 0.000 1.059 1039 T CB 0.860 69.822 68.868 0.157 0.000 0.991 1039 T HN 0.789 nan 8.240 nan 0.000 0.531 1040 Q N -0.313 119.531 119.800 0.073 0.000 2.152 1040 Q HA -0.095 4.246 4.340 0.000 0.000 0.206 1040 Q C 1.973 177.998 176.000 0.042 0.000 0.985 1040 Q CA 1.456 57.287 55.803 0.046 0.000 0.863 1040 Q CB -0.396 28.367 28.738 0.043 0.000 0.904 1040 Q HN 0.716 nan 8.270 nan 0.000 0.422 1041 L N -0.152 121.108 121.223 0.061 0.000 2.042 1041 L HA -0.099 4.241 4.340 0.000 0.000 0.210 1041 L C 2.048 178.923 176.870 0.009 0.000 1.076 1041 L CA 2.305 57.160 54.840 0.026 0.000 0.749 1041 L CB -1.025 41.038 42.059 0.007 0.000 0.893 1041 L HN 0.228 nan 8.230 nan 0.000 0.432 1042 G N -0.785 108.015 108.800 0.000 0.000 2.440 1042 G HA2 -0.340 3.621 3.960 0.000 0.000 0.218 1042 G HA3 -0.340 3.621 3.960 0.000 0.000 0.218 1042 G C 1.592 176.547 174.900 0.091 0.000 1.154 1042 G CA 1.221 46.329 45.100 0.013 0.000 0.767 1042 G HN 0.424 nan 8.290 nan 0.000 0.552 1043 M N 0.149 119.792 119.600 0.072 0.000 2.117 1043 M HA -0.047 4.434 4.480 0.000 0.000 0.262 1043 M C 2.573 178.940 176.300 0.112 0.000 1.065 1043 M CA 1.447 56.800 55.300 0.089 0.000 1.114 1043 M CB -0.265 32.359 32.600 0.041 0.000 1.361 1043 M HN 0.331 nan 8.290 nan 0.000 0.408 1044 E N -0.005 120.235 120.200 0.065 0.000 2.023 1044 E HA -0.265 4.085 4.350 0.000 0.000 0.196 1044 E C 2.013 178.675 176.600 0.103 0.000 1.003 1044 E CA 1.483 57.923 56.400 0.066 0.000 0.809 1044 E CB -0.341 29.374 29.700 0.026 0.000 0.755 1044 E HN 0.578 nan 8.360 nan 0.000 0.449 1045 Q N -0.081 119.753 119.800 0.056 0.000 2.118 1045 Q HA -0.221 4.119 4.340 0.000 0.000 0.211 1045 Q C 2.223 178.195 176.000 -0.046 0.000 0.998 1045 Q CA 1.630 57.434 55.803 0.002 0.000 0.872 1045 Q CB -0.204 28.519 28.738 -0.026 0.000 0.925 1045 Q HN 0.391 nan 8.270 nan 0.000 0.414 1046 H N -1.640 117.446 119.070 0.026 0.000 2.462 1046 H HA -0.090 4.466 4.556 0.000 0.000 0.292 1046 H C 1.580 176.924 175.328 0.026 0.000 1.049 1046 H CA 1.043 57.073 56.048 -0.030 0.000 1.334 1046 H CB 0.085 29.799 29.762 -0.080 0.000 1.404 1046 H HN 0.349 nan 8.280 nan 0.000 0.544 1047 Y N 2.157 122.503 120.300 0.078 0.000 2.293 1047 Y HA -0.208 4.342 4.550 0.000 0.000 0.291 1047 Y C 2.566 178.487 175.900 0.036 0.000 1.137 1047 Y CA 1.831 59.967 58.100 0.059 0.000 1.202 1047 Y CB 0.222 38.712 38.460 0.050 0.000 0.990 1047 Y HN 0.260 nan 8.280 nan 0.000 0.537 1048 E N 0.274 120.560 120.200 0.143 0.000 2.028 1048 E HA -0.205 4.145 4.350 0.000 0.000 0.191 1048 E C 2.139 178.746 176.600 0.011 0.000 0.988 1048 E CA 1.753 58.193 56.400 0.067 0.000 0.799 1048 E CB -1.046 28.687 29.700 0.055 0.000 0.755 1048 E HN 0.520 nan 8.360 nan 0.000 0.447 1049 L N 0.276 121.479 121.223 -0.032 0.000 2.042 1049 L HA -0.111 4.230 4.340 0.000 0.000 0.210 1049 L C 2.365 179.253 176.870 0.030 0.000 1.076 1049 L CA 2.026 56.853 54.840 -0.021 0.000 0.749 1049 L CB -0.953 41.015 42.059 -0.151 0.000 0.893 1049 L HN 0.494 nan 8.230 nan 0.000 0.432 1050 G N -0.972 107.812 108.800 -0.027 0.000 2.442 1050 G HA2 -0.314 3.646 3.960 0.000 0.000 0.219 1050 G HA3 -0.314 3.646 3.960 0.000 0.000 0.219 1050 G C 1.407 176.219 174.900 -0.146 0.000 1.141 1050 G CA 0.841 45.893 45.100 -0.079 0.000 0.763 1050 G HN 0.454 nan 8.290 nan 0.000 0.554 1051 E N -0.974 119.131 120.200 -0.157 0.000 2.072 1051 E HA -0.084 4.266 4.350 0.000 0.000 0.190 1051 E C 2.001 178.546 176.600 -0.092 0.000 0.982 1051 E CA 0.474 56.786 56.400 -0.147 0.000 0.803 1051 E CB -0.235 29.399 29.700 -0.109 0.000 0.755 1051 E HN 0.538 nan 8.360 nan 0.000 0.453 1052 Y N 0.802 121.024 120.300 -0.129 0.000 2.181 1052 Y HA -0.235 4.315 4.550 0.000 0.000 0.288 1052 Y C 1.794 177.577 175.900 -0.195 0.000 1.146 1052 Y CA 1.283 59.301 58.100 -0.138 0.000 1.164 1052 Y CB -0.037 38.354 38.460 -0.116 0.000 0.982 1052 Y HN 0.051 nan 8.280 nan 0.000 0.515 1053 I N 0.722 121.179 120.570 -0.189 0.000 2.142 1053 I HA -0.286 3.884 4.170 0.000 0.000 0.240 1053 I C 2.584 178.482 176.117 -0.365 0.000 1.078 1053 I CA 1.883 62.993 61.300 -0.316 0.000 1.343 1053 I CB -1.354 36.623 38.000 -0.039 0.000 1.046 1053 I HN 0.269 nan 8.210 nan 0.000 0.405 1054 R N 1.189 121.535 120.500 -0.257 0.000 2.096 1054 R HA -0.194 4.146 4.340 0.000 0.000 0.240 1054 R C 2.344 178.514 176.300 -0.217 0.000 1.139 1054 R CA 1.630 57.593 56.100 -0.229 0.000 0.952 1054 R CB -0.136 30.026 30.300 -0.231 0.000 0.854 1054 R HN 0.194 nan 8.270 nan 0.000 0.436 1055 K N 0.207 120.444 120.400 -0.271 0.000 2.002 1055 K HA -0.206 4.114 4.320 0.000 0.000 0.209 1055 K C 2.280 178.684 176.600 -0.326 0.000 1.048 1055 K CA 1.781 57.914 56.287 -0.257 0.000 0.930 1055 K CB -0.285 32.062 32.500 -0.256 0.000 0.714 1055 K HN 0.242 nan 8.250 nan 0.000 0.438 1056 R N 0.124 120.267 120.500 -0.596 0.000 2.083 1056 R HA -0.167 4.173 4.340 0.000 0.000 0.237 1056 R C 0.786 176.876 176.300 -0.350 0.000 1.137 1056 R CA 1.597 57.306 56.100 -0.652 0.000 0.951 1056 R CB -0.135 29.475 30.300 -1.150 0.000 0.851 1056 R HN 0.150 nan 8.270 nan 0.000 0.434 1057 Y N 0.556 120.773 120.300 -0.139 0.000 2.801 1057 Y HA 0.283 4.833 4.550 0.000 0.000 0.340 1057 Y C 1.491 177.411 175.900 0.032 0.000 1.088 1057 Y CA -0.695 57.402 58.100 -0.004 0.000 1.444 1057 Y CB -0.333 38.166 38.460 0.064 0.000 1.251 1057 Y HN 0.084 nan 8.280 nan 0.000 0.522 1058 R N 0.455 121.005 120.500 0.084 0.000 2.105 1058 R HA -0.197 4.143 4.340 0.000 0.000 0.239 1058 R C 1.732 178.087 176.300 0.091 0.000 1.135 1058 R CA 1.725 57.855 56.100 0.049 0.000 0.967 1058 R CB 0.280 30.577 30.300 -0.005 0.000 0.861 1058 R HN 0.226 nan 8.270 nan 0.000 0.442 1059 K N -0.969 119.509 120.400 0.130 0.000 2.098 1059 K HA -0.053 4.267 4.320 0.000 0.000 0.203 1059 K C 1.676 178.384 176.600 0.181 0.000 1.051 1059 K CA 0.920 57.287 56.287 0.133 0.000 0.957 1059 K CB -0.237 32.343 32.500 0.134 0.000 0.738 1059 K HN 0.017 nan 8.250 nan 0.000 0.447 1060 F N 1.383 121.373 119.950 0.068 0.000 2.065 1060 F HA -0.116 4.411 4.527 0.000 0.000 0.298 1060 F C 0.537 176.356 175.800 0.032 0.000 1.112 1060 F CA 1.437 59.456 58.000 0.030 0.000 1.212 1060 F CB -0.019 38.961 39.000 -0.034 0.000 0.975 1060 F HN -0.141 nan 8.300 nan 0.000 0.476 1061 L N 1.650 122.907 121.223 0.056 0.000 2.828 1061 L HA 0.224 4.564 4.340 0.000 0.000 0.233 1061 L C 0.701 177.593 176.870 0.037 0.000 1.250 1061 L CA -0.315 54.515 54.840 -0.017 0.000 1.125 1061 L CB -0.414 41.730 42.059 0.142 0.000 1.432 1061 L HN 0.097 nan 8.230 nan 0.000 0.444 1062 N N -0.277 118.424 118.700 0.000 0.000 2.443 1062 N HA -0.150 4.590 4.740 0.000 0.000 0.184 1062 N C 0.040 175.562 175.510 0.020 0.000 1.037 1062 N CA 0.661 53.721 53.050 0.017 0.000 0.896 1062 N CB -0.128 38.363 38.487 0.006 0.000 0.959 1062 N HN 0.529 nan 8.380 nan 0.000 0.442 1063 E N 0.020 120.226 120.200 0.010 0.000 2.133 1063 E HA 0.265 4.615 4.350 0.000 0.000 0.274 1063 E C -0.908 175.739 176.600 0.078 0.000 0.930 1063 E CA -0.486 55.922 56.400 0.012 0.000 0.770 1063 E CB 1.286 30.959 29.700 -0.045 0.000 1.104 1063 E HN 0.017 nan 8.360 nan 0.000 0.403 1064 S N 3.141 118.908 115.700 0.111 0.000 2.563 1064 S HA -0.139 4.331 4.470 0.000 0.000 0.294 1064 S C -0.384 174.312 174.600 0.161 0.000 1.279 1064 S CA -0.075 58.261 58.200 0.226 0.000 1.069 1064 S CB -0.135 63.169 63.200 0.174 0.000 0.828 1064 S HN 0.543 nan 8.310 nan 0.000 0.497 1065 Y N 3.980 124.329 120.300 0.082 0.000 2.466 1065 Y HA -0.223 4.328 4.550 0.000 0.000 0.401 1065 Y C 0.112 175.845 175.900 -0.277 0.000 1.250 1065 Y CA 0.971 58.744 58.100 -0.545 0.000 1.415 1065 Y CB -0.216 37.749 38.460 -0.825 0.000 1.362 1065 Y HN 0.557 nan 8.280 nan 0.000 0.387 1066 K N 5.797 125.726 120.400 -0.785 0.000 2.389 1066 K HA 0.079 4.399 4.320 0.000 0.000 0.261 1066 K C 0.975 177.052 176.600 -0.871 0.000 1.014 1066 K CA -0.240 55.619 56.287 -0.712 0.000 0.920 1066 K CB 0.400 32.663 32.500 -0.394 0.000 1.149 1066 K HN 0.941 nan 8.250 nan 0.000 0.444 1067 H N 2.974 121.441 119.070 -1.005 0.000 2.478 1067 H HA -0.215 4.341 4.556 0.000 0.000 0.294 1067 H C 1.059 176.248 175.328 -0.231 0.000 1.125 1067 H CA 2.415 58.142 56.048 -0.535 0.000 1.225 1067 H CB 0.342 29.953 29.762 -0.251 0.000 1.360 1067 H HN 0.626 nan 8.280 nan 0.000 0.519 1068 E N 0.712 120.391 120.200 -0.869 0.000 2.371 1068 E HA -0.142 4.208 4.350 0.000 0.000 0.194 1068 E C 1.265 177.686 176.600 -0.298 0.000 1.012 1068 E CA 0.980 57.041 56.400 -0.564 0.000 0.860 1068 E CB -0.097 29.258 29.700 -0.574 0.000 0.811 1068 E HN 0.934 nan 8.360 nan 0.000 0.502 1069 Q N 0.583 120.218 119.800 -0.276 0.000 2.247 1069 Q HA 0.295 4.635 4.340 0.000 0.000 0.211 1069 Q C 0.102 176.059 176.000 -0.072 0.000 0.861 1069 Q CA -0.036 55.665 55.803 -0.169 0.000 0.949 1069 Q CB 1.326 29.950 28.738 -0.191 0.000 1.115 1069 Q HN -0.053 nan 8.270 nan 0.000 0.507 1070 V N 0.644 120.536 119.914 -0.036 0.000 2.789 1070 V HA 0.472 4.592 4.120 0.000 0.000 0.311 1070 V C -1.668 174.541 176.094 0.190 0.000 1.073 1070 V CA -1.066 61.287 62.300 0.088 0.000 0.921 1070 V CB 1.754 33.642 31.823 0.110 0.000 1.009 1070 V HN 0.159 nan 8.190 nan 0.000 0.426 1071 Y N 4.505 124.805 120.300 0.001 0.000 2.396 1071 Y HA 0.773 5.323 4.550 0.000 0.000 0.332 1071 Y C -1.206 174.668 175.900 -0.043 0.000 1.034 1071 Y CA -0.871 57.221 58.100 -0.013 0.000 1.057 1071 Y CB 1.715 40.121 38.460 -0.089 0.000 1.220 1071 Y HN 0.590 nan 8.280 nan 0.000 0.440 1072 I N 6.586 126.834 120.570 -0.536 0.000 2.418 1072 I HA 0.543 4.714 4.170 0.000 0.000 0.287 1072 I C -0.690 175.166 176.117 -0.436 0.000 1.008 1072 I CA -0.537 60.537 61.300 -0.375 0.000 1.104 1072 I CB 1.800 39.718 38.000 -0.137 0.000 1.264 1072 I HN 0.560 nan 8.210 nan 0.000 0.438 1073 R N 4.575 124.935 120.500 -0.234 0.000 2.621 1073 R HA 0.832 5.172 4.340 0.000 0.000 0.292 1073 R C -1.208 175.162 176.300 0.117 0.000 0.969 1073 R CA -0.290 55.813 56.100 0.005 0.000 0.887 1073 R CB 1.997 32.445 30.300 0.247 0.000 1.180 1073 R HN 0.696 nan 8.270 nan 0.000 0.450 1074 S N 1.308 117.067 115.700 0.099 0.000 2.697 1074 S HA 0.509 4.980 4.470 0.000 0.000 0.289 1074 S C -0.873 173.773 174.600 0.077 0.000 1.149 1074 S CA -0.577 57.678 58.200 0.092 0.000 0.850 1074 S CB 1.625 64.862 63.200 0.062 0.000 1.151 1074 S HN 0.672 nan 8.310 nan 0.000 0.491 1075 T N 0.624 115.210 114.554 0.053 0.000 2.910 1075 T HA 0.346 4.696 4.350 0.000 0.000 0.293 1075 T C -0.209 174.478 174.700 -0.021 0.000 1.015 1075 T CA -0.506 61.608 62.100 0.022 0.000 1.094 1075 T CB 0.612 69.523 68.868 0.072 0.000 0.968 1075 T HN 0.505 nan 8.240 nan 0.000 0.521 1076 D N 1.904 122.273 120.400 -0.052 0.000 2.597 1076 D HA 0.257 4.897 4.640 0.000 0.000 0.228 1076 D C -0.938 175.325 176.300 -0.062 0.000 1.120 1076 D CA -0.021 53.953 54.000 -0.043 0.000 1.083 1076 D CB -0.802 39.980 40.800 -0.030 0.000 1.116 1076 D HN 0.383 nan 8.370 nan 0.000 0.487 1077 V N 2.691 122.580 119.914 -0.042 0.000 2.733 1077 V HA 0.061 4.181 4.120 0.000 0.000 0.306 1077 V C 0.804 176.881 176.094 -0.029 0.000 1.084 1077 V CA -0.858 61.424 62.300 -0.029 0.000 0.905 1077 V CB 2.179 34.012 31.823 0.016 0.000 1.010 1077 V HN 0.114 nan 8.190 nan 0.000 0.424 1078 D N 2.599 122.982 120.400 -0.028 0.000 2.154 1078 D HA -0.234 4.407 4.640 0.000 0.000 0.190 1078 D C 2.126 178.397 176.300 -0.048 0.000 1.003 1078 D CA 2.350 56.330 54.000 -0.033 0.000 0.849 1078 D CB -0.038 40.744 40.800 -0.029 0.000 0.942 1078 D HN 0.758 nan 8.370 nan 0.000 0.446 1079 R N 0.162 120.616 120.500 -0.076 0.000 2.105 1079 R HA -0.126 4.214 4.340 0.000 0.000 0.239 1079 R C 1.791 178.038 176.300 -0.089 0.000 1.135 1079 R CA 2.043 58.069 56.100 -0.122 0.000 0.967 1079 R CB -0.983 29.156 30.300 -0.269 0.000 0.861 1079 R HN 0.261 nan 8.270 nan 0.000 0.442 1080 T N 0.300 114.814 114.554 -0.067 0.000 2.894 1080 T HA 0.035 4.385 4.350 0.000 0.000 0.258 1080 T C 1.889 176.578 174.700 -0.017 0.000 1.043 1080 T CA 0.379 62.467 62.100 -0.020 0.000 1.141 1080 T CB -0.160 68.672 68.868 -0.060 0.000 0.873 1080 T HN -0.017 nan 8.240 nan 0.000 0.449 1081 L N 1.180 122.391 121.223 -0.021 0.000 1.989 1081 L HA 0.040 4.380 4.340 0.000 0.000 0.211 1081 L C 2.717 179.573 176.870 -0.023 0.000 1.071 1081 L CA 1.702 56.533 54.840 -0.015 0.000 0.749 1081 L CB -1.204 40.844 42.059 -0.018 0.000 0.890 1081 L HN 0.289 nan 8.230 nan 0.000 0.431 1082 M N -1.686 117.894 119.600 -0.033 0.000 2.108 1082 M HA -0.221 4.259 4.480 0.000 0.000 0.261 1082 M C 2.387 178.652 176.300 -0.059 0.000 1.066 1082 M CA 1.649 56.930 55.300 -0.031 0.000 1.107 1082 M CB -0.462 32.121 32.600 -0.029 0.000 1.356 1082 M HN 0.155 nan 8.290 nan 0.000 0.406 1083 S N 0.566 116.195 115.700 -0.118 0.000 2.351 1083 S HA -0.174 4.297 4.470 0.000 0.000 0.220 1083 S C 2.110 176.473 174.600 -0.394 0.000 1.035 1083 S CA 1.599 59.593 58.200 -0.343 0.000 1.031 1083 S CB -0.519 62.401 63.200 -0.466 0.000 0.928 1083 S HN 0.584 nan 8.310 nan 0.000 0.433 1084 A N 0.764 123.470 122.820 -0.191 0.000 1.986 1084 A HA -0.123 4.198 4.320 0.000 0.000 0.220 1084 A C 2.134 179.729 177.584 0.020 0.000 1.171 1084 A CA 1.673 53.709 52.037 0.000 0.000 0.640 1084 A CB -0.565 18.509 19.000 0.123 0.000 0.811 1084 A HN 0.512 nan 8.150 nan 0.000 0.451 1085 M N -0.812 118.793 119.600 0.009 0.000 2.200 1085 M HA -0.097 4.383 4.480 0.000 0.000 0.265 1085 M C 1.989 178.356 176.300 0.111 0.000 1.066 1085 M CA 1.831 57.170 55.300 0.066 0.000 1.127 1085 M CB -0.147 32.488 32.600 0.057 0.000 1.379 1085 M HN 0.523 nan 8.290 nan 0.000 0.420 1086 T N -0.635 113.965 114.554 0.077 0.000 3.023 1086 T HA -0.064 4.286 4.350 0.000 0.000 0.266 1086 T C 1.565 176.372 174.700 0.180 0.000 1.093 1086 T CA 0.933 63.127 62.100 0.157 0.000 1.129 1086 T CB -0.429 68.523 68.868 0.139 0.000 0.899 1086 T HN 0.402 nan 8.240 nan 0.000 0.491 1087 N N 1.656 120.405 118.700 0.081 0.000 2.135 1087 N HA 0.010 4.750 4.740 0.000 0.000 0.186 1087 N C 1.808 177.352 175.510 0.057 0.000 1.027 1087 N CA 0.950 54.040 53.050 0.067 0.000 0.849 1087 N CB -0.253 38.246 38.487 0.021 0.000 1.002 1087 N HN 0.359 nan 8.380 nan 0.000 0.425 1088 L N 0.878 122.170 121.223 0.115 0.000 2.275 1088 L HA -0.038 4.303 4.340 0.000 0.000 0.215 1088 L C 2.488 179.447 176.870 0.147 0.000 1.119 1088 L CA 0.758 55.695 54.840 0.160 0.000 0.790 1088 L CB -0.437 41.727 42.059 0.175 0.000 0.919 1088 L HN 0.152 nan 8.230 nan 0.000 0.443 1089 A N -0.036 122.896 122.820 0.186 0.000 2.076 1089 A HA -0.109 4.212 4.320 0.000 0.000 0.220 1089 A C 2.327 179.985 177.584 0.123 0.000 1.160 1089 A CA 1.881 54.093 52.037 0.292 0.000 0.653 1089 A CB -0.337 18.925 19.000 0.437 0.000 0.801 1089 A HN 0.441 nan 8.150 nan 0.000 0.455 1090 A N -1.530 121.182 122.820 -0.180 0.000 2.070 1090 A HA 0.391 4.711 4.320 0.000 0.000 0.202 1090 A C 1.900 179.321 177.584 -0.271 0.000 1.277 1090 A CA 0.511 52.282 52.037 -0.443 0.000 0.872 1090 A CB -0.290 18.086 19.000 -1.040 0.000 0.933 1090 A HN 0.387 nan 8.150 nan 0.000 0.475 1091 L N -1.366 119.708 121.223 -0.249 0.000 2.093 1091 L HA 0.043 4.383 4.340 0.000 0.000 0.208 1091 L C -0.073 176.399 176.870 -0.663 0.000 1.085 1091 L CA 1.270 55.839 54.840 -0.452 0.000 0.755 1091 L CB -0.021 41.751 42.059 -0.479 0.000 0.904 1091 L HN 0.363 nan 8.230 nan 0.000 0.435 1092 F N 0.619 120.573 119.950 0.007 0.000 2.523 1092 F HA 0.365 4.892 4.527 0.000 0.000 0.322 1092 F C -2.126 173.686 175.800 0.020 0.000 1.361 1092 F CA -2.533 55.484 58.000 0.028 0.000 1.151 1092 F CB 0.072 39.093 39.000 0.036 0.000 1.391 1092 F HN -0.055 nan 8.300 nan 0.000 0.566 1093 P HA 0.157 nan 4.420 nan 0.000 0.275 1093 P C -2.639 174.739 177.300 0.130 0.000 1.228 1093 P CA -1.562 61.615 63.100 0.128 0.000 0.786 1093 P CB 0.508 32.266 31.700 0.096 0.000 0.927 1094 P HA 0.132 nan 4.420 nan 0.000 0.267 1094 P C -0.582 176.773 177.300 0.091 0.000 1.209 1094 P CA 0.529 63.697 63.100 0.113 0.000 0.763 1094 P CB 0.640 32.417 31.700 0.129 0.000 0.816 1095 E N 2.341 122.592 120.200 0.084 0.000 2.244 1095 E HA 0.462 4.812 4.350 0.000 0.000 0.260 1095 E C 0.707 177.338 176.600 0.052 0.000 0.884 1095 E CA -0.764 55.673 56.400 0.063 0.000 0.777 1095 E CB 1.590 31.327 29.700 0.062 0.000 1.197 1095 E HN 0.664 nan 8.360 nan 0.000 0.416 1096 G N 1.519 110.343 108.800 0.041 0.000 2.561 1096 G HA2 -0.405 3.555 3.960 0.000 0.000 0.289 1096 G HA3 -0.405 3.555 3.960 0.000 0.000 0.289 1096 G C 1.024 175.947 174.900 0.039 0.000 1.169 1096 G CA 0.183 45.303 45.100 0.033 0.000 0.980 1096 G HN 0.616 nan 8.290 nan 0.000 0.550 1097 V N 0.840 120.776 119.914 0.037 0.000 2.317 1097 V HA -0.194 3.926 4.120 0.000 0.000 0.251 1097 V C 2.905 179.037 176.094 0.064 0.000 1.065 1097 V CA 3.772 66.097 62.300 0.042 0.000 1.049 1097 V CB -0.900 30.942 31.823 0.032 0.000 0.651 1097 V HN 1.039 nan 8.190 nan 0.000 0.450 1098 S N 0.112 115.854 115.700 0.069 0.000 2.392 1098 S HA -0.080 4.390 4.470 0.000 0.000 0.232 1098 S C 0.955 175.645 174.600 0.150 0.000 1.041 1098 S CA 1.451 59.709 58.200 0.097 0.000 1.026 1098 S CB -0.692 62.565 63.200 0.094 0.000 0.845 1098 S HN 0.665 nan 8.310 nan 0.000 0.465 1099 I N 4.141 124.777 120.570 0.109 0.000 2.886 1099 I HA -0.103 4.067 4.170 0.000 0.000 0.293 1099 I C 1.508 177.670 176.117 0.077 0.000 1.157 1099 I CA 0.015 61.361 61.300 0.077 0.000 1.472 1099 I CB -0.189 37.816 38.000 0.010 0.000 1.492 1099 I HN 0.568 nan 8.210 nan 0.000 0.652 1100 W N 5.638 126.943 121.300 0.007 0.000 2.476 1100 W HA 0.045 4.705 4.660 0.000 0.000 0.281 1100 W C 0.249 176.790 176.519 0.037 0.000 1.230 1100 W CA 0.300 57.654 57.345 0.014 0.000 1.287 1100 W CB -0.473 28.987 29.460 -0.000 0.000 1.108 1100 W HN 0.402 nan 8.180 nan 0.000 0.567 1101 N N 2.128 120.141 118.700 -1.145 0.000 2.410 1101 N HA 0.214 4.954 4.740 0.000 0.000 0.287 1101 N C -1.917 173.278 175.510 -0.526 0.000 1.044 1101 N CA -2.277 50.159 53.050 -1.023 0.000 0.881 1101 N CB 2.320 39.713 38.487 -1.824 0.000 1.405 1101 N HN -0.295 nan 8.380 nan 0.000 0.490 1102 P HA 0.056 nan 4.420 nan 0.000 0.227 1102 P C 1.148 178.373 177.300 -0.125 0.000 1.161 1102 P CA 0.695 63.700 63.100 -0.158 0.000 0.788 1102 P CB 0.558 32.196 31.700 -0.104 0.000 0.822 1103 I N -1.563 118.918 120.570 -0.148 0.000 2.480 1103 I HA 0.020 4.191 4.170 0.000 0.000 0.251 1103 I C 1.272 177.343 176.117 -0.076 0.000 1.124 1103 I CA 0.488 61.732 61.300 -0.094 0.000 1.444 1103 I CB -0.568 37.381 38.000 -0.086 0.000 1.098 1103 I HN -0.161 nan 8.210 nan 0.000 0.428 1104 L N 2.141 123.294 121.223 -0.118 0.000 2.277 1104 L HA 0.421 4.761 4.340 0.000 0.000 0.284 1104 L C -0.396 176.492 176.870 0.030 0.000 1.028 1104 L CA -0.213 54.617 54.840 -0.016 0.000 0.835 1104 L CB 0.914 42.987 42.059 0.024 0.000 1.215 1104 L HN 0.078 nan 8.230 nan 0.000 0.425 1105 L N 5.577 126.862 121.223 0.103 0.000 2.583 1105 L HA 0.241 4.582 4.340 0.000 0.000 0.239 1105 L C -1.035 176.015 176.870 0.301 0.000 1.347 1105 L CA -0.051 54.873 54.840 0.141 0.000 1.246 1105 L CB -0.491 41.632 42.059 0.106 0.000 1.496 1105 L HN 0.721 nan 8.230 nan 0.000 0.413 1106 W N 2.705 124.106 121.300 0.169 0.000 3.107 1106 W HA 0.487 5.148 4.660 0.000 0.000 0.331 1106 W C -1.451 175.329 176.519 0.435 0.000 1.204 1106 W CA -0.667 56.827 57.345 0.249 0.000 1.184 1106 W CB 1.238 30.826 29.460 0.214 0.000 1.421 1106 W HN 0.199 nan 8.180 nan 0.000 0.544 1107 Q N 4.703 123.982 119.800 -0.870 0.000 2.331 1107 Q HA 0.556 4.896 4.340 0.000 0.000 0.272 1107 Q C -2.706 172.401 176.000 -1.487 0.000 1.062 1107 Q CA -2.362 52.856 55.803 -0.976 0.000 0.806 1107 Q CB 2.694 31.260 28.738 -0.286 0.000 1.312 1107 Q HN 0.261 nan 8.270 nan 0.000 0.431 1108 P HA 0.128 nan 4.420 nan 0.000 0.267 1108 P C -0.806 176.211 177.300 -0.472 0.000 1.205 1108 P CA 0.352 63.015 63.100 -0.729 0.000 0.765 1108 P CB 0.666 32.084 31.700 -0.470 0.000 0.828 1109 I N 5.113 125.463 120.570 -0.366 0.000 2.499 1109 I HA 0.259 4.429 4.170 0.000 0.000 0.288 1109 I C -2.206 173.725 176.117 -0.310 0.000 1.048 1109 I CA -2.684 58.313 61.300 -0.503 0.000 1.062 1109 I CB 2.256 39.818 38.000 -0.730 0.000 1.238 1109 I HN 0.123 nan 8.210 nan 0.000 0.426 1110 P HA 0.106 nan 4.420 nan 0.000 0.264 1110 P C -0.879 176.227 177.300 -0.324 0.000 1.193 1110 P CA -0.097 62.827 63.100 -0.294 0.000 0.763 1110 P CB 0.550 32.086 31.700 -0.275 0.000 0.810 1111 V N 4.610 124.327 119.914 -0.329 0.000 2.357 1111 V HA 0.152 4.272 4.120 0.000 0.000 0.281 1111 V C 0.185 176.124 176.094 -0.259 0.000 1.015 1111 V CA -0.667 61.499 62.300 -0.222 0.000 0.827 1111 V CB 0.259 32.022 31.823 -0.101 0.000 1.018 1111 V HN 0.607 nan 8.190 nan 0.000 0.432 1112 H N 2.435 121.413 119.070 -0.153 0.000 2.652 1112 H HA 0.492 5.048 4.556 0.000 0.000 0.349 1112 H C 0.158 175.473 175.328 -0.021 0.000 1.099 1112 H CA 0.164 56.171 56.048 -0.068 0.000 1.417 1112 H CB 2.058 31.794 29.762 -0.043 0.000 1.457 1112 H HN 0.579 nan 8.280 nan 0.000 0.568 1113 T N 1.504 116.129 114.554 0.119 0.000 2.778 1113 T HA 0.552 4.902 4.350 0.000 0.000 0.293 1113 T C -1.221 173.535 174.700 0.092 0.000 1.144 1113 T CA -0.586 61.567 62.100 0.088 0.000 1.010 1113 T CB 1.562 70.452 68.868 0.037 0.000 1.325 1113 T HN 0.323 nan 8.240 nan 0.000 0.515 1114 V N 2.366 122.322 119.914 0.069 0.000 3.077 1114 V HA 0.459 4.579 4.120 0.000 0.000 0.299 1114 V C -2.608 173.512 176.094 0.042 0.000 1.276 1114 V CA -1.804 60.534 62.300 0.063 0.000 0.993 1114 V CB 2.448 34.317 31.823 0.076 0.000 1.076 1114 V HN 0.799 nan 8.190 nan 0.000 0.434 1115 P HA 0.092 nan 4.420 nan 0.000 0.260 1115 P C 1.089 178.417 177.300 0.047 0.000 1.172 1115 P CA 0.466 63.587 63.100 0.034 0.000 0.760 1115 P CB 0.446 32.169 31.700 0.038 0.000 0.773 1116 L N 2.201 123.441 121.223 0.029 0.000 2.043 1116 L HA -0.246 4.094 4.340 0.000 0.000 0.212 1116 L C 2.066 179.048 176.870 0.187 0.000 1.075 1116 L CA 2.032 56.912 54.840 0.066 0.000 0.752 1116 L CB -0.802 41.260 42.059 0.005 0.000 0.891 1116 L HN 0.407 nan 8.230 nan 0.000 0.432 1117 S N -0.447 115.330 115.700 0.128 0.000 2.469 1117 S HA -0.161 4.309 4.470 0.000 0.000 0.238 1117 S C 1.243 175.901 174.600 0.097 0.000 0.998 1117 S CA 1.212 59.483 58.200 0.117 0.000 0.957 1117 S CB -0.246 63.001 63.200 0.080 0.000 0.764 1117 S HN 0.613 nan 8.310 nan 0.000 0.514 1118 E N 0.342 120.592 120.200 0.084 0.000 2.601 1118 E HA 0.127 4.477 4.350 0.000 0.000 0.219 1118 E C -0.521 176.109 176.600 0.050 0.000 0.964 1118 E CA -0.284 56.146 56.400 0.050 0.000 1.050 1118 E CB 0.167 29.887 29.700 0.033 0.000 1.068 1118 E HN 0.199 nan 8.360 nan 0.000 0.496 1119 D N 2.342 122.808 120.400 0.110 0.000 2.380 1119 D HA -0.048 4.592 4.640 0.000 0.000 0.270 1119 D C -0.064 176.334 176.300 0.162 0.000 1.363 1119 D CA 0.340 54.424 54.000 0.139 0.000 1.057 1119 D CB 0.543 41.460 40.800 0.194 0.000 1.096 1119 D HN -0.008 nan 8.370 nan 0.000 0.524 1120 Q N 3.213 123.015 119.800 0.004 0.000 2.296 1120 Q HA 0.178 4.518 4.340 0.000 0.000 0.273 1120 Q C 0.234 176.180 176.000 -0.090 0.000 0.900 1120 Q CA -0.085 55.580 55.803 -0.230 0.000 0.993 1120 Q CB 0.075 28.546 28.738 -0.446 0.000 1.132 1120 Q HN 0.555 nan 8.270 nan 0.000 0.439 1121 L N -2.486 118.841 121.223 0.173 0.000 2.627 1121 L HA 0.297 4.638 4.340 0.000 0.000 0.253 1121 L C 0.246 177.156 176.870 0.067 0.000 1.042 1121 L CA 0.863 55.769 54.840 0.110 0.000 1.110 1121 L CB 0.211 42.257 42.059 -0.022 0.000 2.151 1121 L HN 0.273 nan 8.230 nan 0.000 0.539 1122 L N -1.090 120.191 121.223 0.097 0.000 2.609 1122 L HA 0.222 4.562 4.340 0.000 0.000 0.230 1122 L C 0.017 177.007 176.870 0.200 0.000 1.064 1122 L CA -0.052 54.834 54.840 0.077 0.000 0.873 1122 L CB 0.200 42.310 42.059 0.085 0.000 1.139 1122 L HN 0.103 nan 8.230 nan 0.000 0.490 1123 Y N 2.625 122.965 120.300 0.065 0.000 2.568 1123 Y HA 0.282 4.832 4.550 0.000 0.000 0.338 1123 Y C -0.162 175.642 175.900 -0.159 0.000 1.245 1123 Y CA -1.151 56.963 58.100 0.024 0.000 1.667 1123 Y CB -0.495 38.012 38.460 0.077 0.000 1.568 1123 Y HN -0.083 nan 8.280 nan 0.000 0.471 1124 L N 7.498 128.618 121.223 -0.172 0.000 2.357 1124 L HA 0.516 4.856 4.340 0.000 0.000 0.273 1124 L C -2.070 174.678 176.870 -0.204 0.000 1.080 1124 L CA -2.132 52.493 54.840 -0.359 0.000 0.803 1124 L CB 0.945 42.859 42.059 -0.242 0.000 1.174 1124 L HN 0.353 nan 8.230 nan 0.000 0.443 1125 P HA 0.272 nan 4.420 nan 0.000 0.287 1125 P C -1.002 176.147 177.300 -0.251 0.000 1.270 1125 P CA -0.570 62.400 63.100 -0.215 0.000 0.844 1125 P CB 0.577 32.274 31.700 -0.004 0.000 1.068 1126 F N 1.966 121.862 119.950 -0.091 0.000 2.504 1126 F HA 0.210 4.737 4.527 0.000 0.000 0.369 1126 F C 1.919 177.750 175.800 0.051 0.000 1.082 1126 F CA 0.115 58.115 58.000 0.000 0.000 1.216 1126 F CB 0.111 39.208 39.000 0.161 0.000 1.108 1126 F HN 0.130 nan 8.300 nan 0.000 0.554 1127 R N 1.892 122.546 120.500 0.258 0.000 2.334 1127 R HA 0.059 4.399 4.340 0.000 0.000 0.212 1127 R C 0.425 176.841 176.300 0.194 0.000 0.897 1127 R CA 0.160 56.384 56.100 0.207 0.000 1.056 1127 R CB -0.215 30.136 30.300 0.085 0.000 1.046 1127 R HN 0.582 nan 8.270 nan 0.000 0.513 1128 N N 0.336 119.174 118.700 0.229 0.000 2.758 1128 N HA -0.016 4.724 4.740 0.000 0.000 0.293 1128 N C -0.618 174.968 175.510 0.126 0.000 1.273 1128 N CA -0.189 52.962 53.050 0.168 0.000 1.022 1128 N CB -0.112 38.478 38.487 0.172 0.000 1.334 1128 N HN -0.069 nan 8.380 nan 0.000 0.519 1129 c N 1.316 119.972 118.600 0.092 0.000 2.978 1129 c HA 0.406 4.976 4.570 0.000 0.000 0.274 1129 c C -1.500 172.592 174.090 0.002 0.000 1.087 1129 c CA -1.565 54.704 56.329 -0.099 0.000 1.453 1129 c CB 0.523 42.942 42.510 -0.153 0.000 1.838 1129 c HN 0.203 nan 8.230 nan 0.000 0.470 1130 P HA -0.218 nan 4.420 nan 0.000 0.219 1130 P C 1.749 179.036 177.300 -0.020 0.000 1.161 1130 P CA 1.532 64.616 63.100 -0.026 0.000 0.909 1130 P CB 0.075 31.745 31.700 -0.050 0.000 0.793 1131 R N -1.063 119.409 120.500 -0.048 0.000 2.127 1131 R HA -0.155 4.186 4.340 0.000 0.000 0.238 1131 R C 2.059 178.378 176.300 0.033 0.000 1.134 1131 R CA 1.490 57.571 56.100 -0.031 0.000 0.975 1131 R CB -1.788 28.471 30.300 -0.067 0.000 0.865 1131 R HN 0.151 nan 8.270 nan 0.000 0.447 1132 F N 0.612 120.514 119.950 -0.081 0.000 2.128 1132 F HA -0.060 4.467 4.527 0.000 0.000 0.295 1132 F C 1.895 177.682 175.800 -0.021 0.000 1.100 1132 F CA 1.265 59.249 58.000 -0.027 0.000 1.260 1132 F CB -0.301 38.711 39.000 0.020 0.000 1.009 1132 F HN 0.018 nan 8.300 nan 0.000 0.476 1133 Q N 0.717 120.503 119.800 -0.023 0.000 2.152 1133 Q HA -0.253 4.088 4.340 0.000 0.000 0.206 1133 Q C 2.173 178.078 176.000 -0.158 0.000 0.985 1133 Q CA 1.921 57.654 55.803 -0.116 0.000 0.863 1133 Q CB -0.674 28.048 28.738 -0.027 0.000 0.904 1133 Q HN 0.602 nan 8.270 nan 0.000 0.422 1134 E N 0.042 120.180 120.200 -0.104 0.000 2.017 1134 E HA -0.127 4.223 4.350 0.000 0.000 0.193 1134 E C 2.066 178.603 176.600 -0.105 0.000 0.997 1134 E CA 0.882 57.232 56.400 -0.083 0.000 0.804 1134 E CB -0.108 29.562 29.700 -0.050 0.000 0.757 1134 E HN 0.255 nan 8.360 nan 0.000 0.448 1135 L N 0.769 121.917 121.223 -0.124 0.000 2.189 1135 L HA -0.220 4.120 4.340 0.000 0.000 0.214 1135 L C 2.571 179.343 176.870 -0.162 0.000 1.097 1135 L CA 1.227 56.005 54.840 -0.103 0.000 0.764 1135 L CB -0.430 41.566 42.059 -0.104 0.000 0.900 1135 L HN 0.281 nan 8.230 nan 0.000 0.436 1136 E N 0.003 119.987 120.200 -0.361 0.000 2.017 1136 E HA -0.201 4.149 4.350 0.000 0.000 0.193 1136 E C 2.294 178.748 176.600 -0.244 0.000 0.997 1136 E CA 1.574 57.742 56.400 -0.386 0.000 0.804 1136 E CB 0.086 29.499 29.700 -0.479 0.000 0.757 1136 E HN 0.367 nan 8.360 nan 0.000 0.448 1137 S N 0.895 116.485 115.700 -0.183 0.000 2.368 1137 S HA -0.256 4.214 4.470 0.000 0.000 0.226 1137 S C 1.726 176.250 174.600 -0.126 0.000 1.044 1137 S CA 1.694 59.816 58.200 -0.129 0.000 1.062 1137 S CB -0.472 62.676 63.200 -0.086 0.000 0.931 1137 S HN 0.339 nan 8.310 nan 0.000 0.440 1138 E N 0.478 120.627 120.200 -0.086 0.000 2.086 1138 E HA -0.180 4.170 4.350 0.000 0.000 0.200 1138 E C 2.247 178.663 176.600 -0.306 0.000 1.012 1138 E CA 1.746 58.091 56.400 -0.093 0.000 0.812 1138 E CB -0.623 29.163 29.700 0.143 0.000 0.743 1138 E HN 0.518 nan 8.360 nan 0.000 0.453 1139 T N 1.924 116.319 114.554 -0.265 0.000 2.720 1139 T HA -0.144 4.206 4.350 0.000 0.000 0.268 1139 T C 1.798 176.207 174.700 -0.485 0.000 1.037 1139 T CA 0.784 62.642 62.100 -0.404 0.000 1.144 1139 T CB -0.080 68.597 68.868 -0.317 0.000 0.864 1139 T HN 0.034 nan 8.240 nan 0.000 0.444 1140 L N 0.817 121.791 121.223 -0.416 0.000 2.141 1140 L HA 0.040 4.380 4.340 0.000 0.000 0.209 1140 L C 2.173 179.090 176.870 0.078 0.000 1.094 1140 L CA 1.712 56.397 54.840 -0.259 0.000 0.763 1140 L CB -0.806 41.169 42.059 -0.139 0.000 0.908 1140 L HN 0.343 nan 8.230 nan 0.000 0.437 1141 K N -0.639 119.743 120.400 -0.030 0.000 2.393 1141 K HA 0.033 4.353 4.320 0.000 0.000 0.193 1141 K C 1.074 177.670 176.600 -0.007 0.000 1.026 1141 K CA -0.104 56.187 56.287 0.006 0.000 1.064 1141 K CB 0.352 32.834 32.500 -0.030 0.000 0.833 1141 K HN 0.160 nan 8.250 nan 0.000 0.521 1142 S N 1.727 117.387 115.700 -0.066 0.000 2.566 1142 S HA -0.089 4.381 4.470 0.000 0.000 0.280 1142 S C 1.203 175.831 174.600 0.045 0.000 1.343 1142 S CA 0.031 58.179 58.200 -0.087 0.000 1.036 1142 S CB 0.951 64.042 63.200 -0.182 0.000 0.866 1142 S HN 0.420 nan 8.310 nan 0.000 0.526 1143 E N 1.410 121.619 120.200 0.015 0.000 2.190 1143 E HA 0.004 4.354 4.350 0.000 0.000 0.191 1143 E C 1.535 178.157 176.600 0.036 0.000 0.978 1143 E CA 0.627 57.040 56.400 0.022 0.000 0.839 1143 E CB -0.297 29.405 29.700 0.004 0.000 0.787 1143 E HN 0.701 nan 8.360 nan 0.000 0.473 1144 E N 0.335 120.569 120.200 0.055 0.000 2.347 1144 E HA -0.114 4.236 4.350 0.000 0.000 0.196 1144 E C 1.218 177.897 176.600 0.130 0.000 1.008 1144 E CA 0.588 57.032 56.400 0.074 0.000 0.852 1144 E CB -0.255 29.493 29.700 0.080 0.000 0.783 1144 E HN 0.421 nan 8.360 nan 0.000 0.505 1145 F N 1.016 120.951 119.950 -0.025 0.000 2.123 1145 F HA 0.055 4.582 4.527 0.000 0.000 0.289 1145 F C 1.907 177.714 175.800 0.012 0.000 1.099 1145 F CA 1.390 59.381 58.000 -0.015 0.000 1.234 1145 F CB -0.514 38.460 39.000 -0.044 0.000 1.034 1145 F HN -0.008 nan 8.300 nan 0.000 0.479 1146 Q N 0.461 120.169 119.800 -0.153 0.000 2.234 1146 Q HA -0.245 4.095 4.340 0.000 0.000 0.206 1146 Q C 2.160 178.093 176.000 -0.113 0.000 0.980 1146 Q CA 1.550 57.222 55.803 -0.219 0.000 0.869 1146 Q CB -0.432 28.272 28.738 -0.056 0.000 0.912 1146 Q HN 0.475 nan 8.270 nan 0.000 0.436 1147 K N 1.223 121.586 120.400 -0.062 0.000 2.097 1147 K HA -0.146 4.174 4.320 0.000 0.000 0.206 1147 K C 1.933 178.527 176.600 -0.011 0.000 1.049 1147 K CA 1.149 57.414 56.287 -0.037 0.000 0.933 1147 K CB 0.167 32.657 32.500 -0.018 0.000 0.717 1147 K HN 0.166 nan 8.250 nan 0.000 0.442 1148 R N -0.296 120.185 120.500 -0.032 0.000 2.189 1148 R HA 0.015 4.356 4.340 0.000 0.000 0.203 1148 R C 2.169 178.490 176.300 0.034 0.000 1.012 1148 R CA 0.327 56.435 56.100 0.014 0.000 1.015 1148 R CB -0.187 30.128 30.300 0.026 0.000 0.938 1148 R HN 0.103 nan 8.270 nan 0.000 0.472 1149 L N 0.721 121.862 121.223 -0.137 0.000 2.209 1149 L HA -0.034 4.306 4.340 0.000 0.000 0.207 1149 L C 2.334 179.232 176.870 0.046 0.000 1.094 1149 L CA 1.581 56.348 54.840 -0.122 0.000 0.790 1149 L CB -0.673 41.076 42.059 -0.517 0.000 0.932 1149 L HN 0.206 nan 8.230 nan 0.000 0.447 1150 H N 0.657 119.680 119.070 -0.078 0.000 2.304 1150 H HA -0.210 4.346 4.556 0.000 0.000 0.287 1150 H C -0.582 174.725 175.328 -0.035 0.000 1.112 1150 H CA 2.935 58.951 56.048 -0.052 0.000 1.200 1150 H CB -1.262 28.463 29.762 -0.062 0.000 1.349 1150 H HN 0.279 nan 8.280 nan 0.000 0.477 1151 P HA -0.174 nan 4.420 nan 0.000 0.214 1151 P C 1.184 178.298 177.300 -0.309 0.000 1.163 1151 P CA 1.787 64.719 63.100 -0.280 0.000 0.889 1151 P CB -0.578 30.893 31.700 -0.380 0.000 0.790 1152 Y N -0.484 119.758 120.300 -0.097 0.000 2.483 1152 Y HA -0.103 4.448 4.550 0.000 0.000 0.291 1152 Y C 2.232 178.142 175.900 0.017 0.000 1.143 1152 Y CA 0.631 58.717 58.100 -0.025 0.000 1.289 1152 Y CB -0.931 37.513 38.460 -0.028 0.000 0.983 1152 Y HN -0.170 nan 8.280 nan 0.000 0.556 1153 K N 0.636 121.064 120.400 0.046 0.000 2.127 1153 K HA -0.270 4.050 4.320 0.000 0.000 0.212 1153 K C 1.546 178.145 176.600 -0.002 0.000 1.050 1153 K CA 1.850 58.128 56.287 -0.016 0.000 0.929 1153 K CB -0.543 31.869 32.500 -0.147 0.000 0.715 1153 K HN 0.393 nan 8.250 nan 0.000 0.457 1154 D N -0.783 119.606 120.400 -0.018 0.000 2.103 1154 D HA -0.099 4.541 4.640 0.000 0.000 0.199 1154 D C 1.847 178.174 176.300 0.046 0.000 0.978 1154 D CA 0.504 54.501 54.000 -0.005 0.000 0.829 1154 D CB -0.172 40.613 40.800 -0.025 0.000 0.981 1154 D HN 0.139 nan 8.370 nan 0.000 0.464 1155 F N 1.582 121.511 119.950 -0.034 0.000 2.095 1155 F HA -0.175 4.353 4.527 0.000 0.000 0.298 1155 F C 2.194 177.983 175.800 -0.018 0.000 1.104 1155 F CA 1.262 59.256 58.000 -0.010 0.000 1.232 1155 F CB -0.387 38.639 39.000 0.043 0.000 0.987 1155 F HN -0.113 nan 8.300 nan 0.000 0.475 1156 I N 0.655 121.284 120.570 0.098 0.000 2.151 1156 I HA -0.396 3.774 4.170 0.000 0.000 0.243 1156 I C 2.771 178.780 176.117 -0.181 0.000 1.080 1156 I CA 1.422 62.696 61.300 -0.043 0.000 1.339 1156 I CB -1.087 36.959 38.000 0.077 0.000 1.039 1156 I HN 0.322 nan 8.210 nan 0.000 0.409 1157 A N 0.336 123.089 122.820 -0.111 0.000 1.865 1157 A HA -0.240 4.080 4.320 0.000 0.000 0.217 1157 A C 2.394 179.871 177.584 -0.179 0.000 1.191 1157 A CA 2.674 54.653 52.037 -0.097 0.000 0.623 1157 A CB -1.248 17.725 19.000 -0.045 0.000 0.826 1157 A HN 0.413 nan 8.150 nan 0.000 0.444 1158 T N 0.436 114.850 114.554 -0.234 0.000 2.759 1158 T HA -0.102 4.248 4.350 0.000 0.000 0.269 1158 T C 1.803 176.234 174.700 -0.448 0.000 1.042 1158 T CA 1.227 63.156 62.100 -0.285 0.000 1.140 1158 T CB -0.383 68.328 68.868 -0.262 0.000 0.864 1158 T HN 0.330 nan 8.240 nan 0.000 0.455 1159 L N 0.723 121.579 121.223 -0.612 0.000 2.013 1159 L HA -0.166 4.174 4.340 0.000 0.000 0.212 1159 L C 2.940 179.455 176.870 -0.591 0.000 1.073 1159 L CA 1.809 56.229 54.840 -0.701 0.000 0.753 1159 L CB -1.187 40.460 42.059 -0.686 0.000 0.890 1159 L HN 0.412 nan 8.230 nan 0.000 0.432 1160 G N -0.405 108.079 108.800 -0.526 0.000 2.505 1160 G HA2 -0.338 3.623 3.960 0.000 0.000 0.220 1160 G HA3 -0.338 3.623 3.960 0.000 0.000 0.220 1160 G C 1.688 176.125 174.900 -0.773 0.000 1.145 1160 G CA 1.154 45.785 45.100 -0.781 0.000 0.761 1160 G HN 0.302 nan 8.290 nan 0.000 0.571 1161 K N -0.412 119.710 120.400 -0.464 0.000 2.031 1161 K HA 0.196 4.516 4.320 0.000 0.000 0.205 1161 K C 2.536 178.945 176.600 -0.318 0.000 1.049 1161 K CA 0.562 56.699 56.287 -0.250 0.000 0.939 1161 K CB -0.258 32.153 32.500 -0.147 0.000 0.717 1161 K HN 0.282 nan 8.250 nan 0.000 0.438 1162 L N 0.453 121.358 121.223 -0.531 0.000 2.056 1162 L HA -0.176 4.164 4.340 0.000 0.000 0.207 1162 L C 2.530 178.977 176.870 -0.705 0.000 1.078 1162 L CA 1.443 55.791 54.840 -0.819 0.000 0.749 1162 L CB -0.555 40.596 42.059 -1.515 0.000 0.901 1162 L HN 0.271 nan 8.230 nan 0.000 0.433 1163 S N -0.501 114.813 115.700 -0.644 0.000 2.357 1163 S HA 0.009 4.479 4.470 0.000 0.000 0.221 1163 S C 1.684 176.303 174.600 0.031 0.000 1.031 1163 S CA 1.111 59.100 58.200 -0.351 0.000 0.982 1163 S CB 0.078 63.041 63.200 -0.394 0.000 0.853 1163 S HN 0.536 nan 8.310 nan 0.000 0.458 1164 G N 0.148 108.896 108.800 -0.087 0.000 2.192 1164 G HA2 -0.075 3.885 3.960 0.000 0.000 0.193 1164 G HA3 -0.075 3.885 3.960 0.000 0.000 0.193 1164 G C -0.278 174.639 174.900 0.028 0.000 0.999 1164 G CA -0.056 45.059 45.100 0.025 0.000 0.659 1164 G HN 1.314 nan 8.290 nan 0.000 0.503 1165 L N -1.709 119.476 121.223 -0.063 0.000 2.438 1165 L HA 0.821 5.161 4.340 0.000 0.000 0.270 1165 L C -0.511 176.280 176.870 -0.132 0.000 0.972 1165 L CA -1.342 53.494 54.840 -0.007 0.000 0.831 1165 L CB 1.388 43.480 42.059 0.056 0.000 1.273 1165 L HN 0.095 nan 8.230 nan 0.000 0.405 1166 H N 2.423 121.491 119.070 -0.003 0.000 2.467 1166 H HA 0.792 5.348 4.556 0.000 0.000 0.326 1166 H C -0.132 175.200 175.328 0.006 0.000 1.094 1166 H CA -0.307 55.732 56.048 -0.014 0.000 1.253 1166 H CB 2.180 31.930 29.762 -0.019 0.000 1.439 1166 H HN 1.064 nan 8.280 nan 0.000 0.479 1167 G N 2.720 111.579 108.800 0.098 0.000 2.110 1167 G HA2 -0.101 3.859 3.960 0.000 0.000 0.218 1167 G HA3 -0.101 3.859 3.960 0.000 0.000 0.218 1167 G C 0.351 175.293 174.900 0.070 0.000 2.460 1167 G CA -0.697 44.452 45.100 0.082 0.000 0.838 1167 G HN 0.635 nan 8.290 nan 0.000 0.534 1168 Q N 0.500 120.342 119.800 0.070 0.000 2.458 1168 Q HA -0.161 4.179 4.340 0.000 0.000 0.215 1168 Q C 1.011 177.074 176.000 0.103 0.000 0.989 1168 Q CA 1.230 57.078 55.803 0.075 0.000 0.895 1168 Q CB 0.028 28.810 28.738 0.074 0.000 0.934 1168 Q HN 0.642 nan 8.270 nan 0.000 0.475 1169 D N -0.187 120.277 120.400 0.108 0.000 2.536 1169 D HA -0.132 4.508 4.640 0.000 0.000 0.260 1169 D C 0.760 177.163 176.300 0.173 0.000 1.270 1169 D CA 0.249 54.331 54.000 0.137 0.000 0.934 1169 D CB 0.266 41.140 40.800 0.125 0.000 1.129 1169 D HN 0.254 nan 8.370 nan 0.000 0.533 1170 L N 3.564 124.904 121.223 0.194 0.000 2.042 1170 L HA -0.201 4.140 4.340 0.000 0.000 0.210 1170 L C 2.022 179.042 176.870 0.250 0.000 1.076 1170 L CA 0.857 55.809 54.840 0.186 0.000 0.749 1170 L CB -0.359 41.807 42.059 0.179 0.000 0.893 1170 L HN 0.511 nan 8.230 nan 0.000 0.432 1171 F N 0.608 120.660 119.950 0.171 0.000 2.161 1171 F HA -0.173 4.354 4.527 0.000 0.000 0.300 1171 F C 2.231 178.144 175.800 0.188 0.000 1.089 1171 F CA 1.489 59.637 58.000 0.246 0.000 1.282 1171 F CB -0.583 38.505 39.000 0.147 0.000 1.010 1171 F HN 0.004 nan 8.300 nan 0.000 0.485 1172 G N 1.095 110.107 108.800 0.354 0.000 2.511 1172 G HA2 -0.255 3.705 3.960 0.000 0.000 0.216 1172 G HA3 -0.255 3.705 3.960 0.000 0.000 0.216 1172 G C 1.687 176.699 174.900 0.187 0.000 1.218 1172 G CA 1.307 46.544 45.100 0.229 0.000 0.788 1172 G HN 0.329 nan 8.290 nan 0.000 0.560 1173 I N -0.255 120.420 120.570 0.175 0.000 2.103 1173 I HA -0.263 3.907 4.170 0.000 0.000 0.241 1173 I C 2.473 178.743 176.117 0.255 0.000 1.036 1173 I CA 2.050 63.453 61.300 0.171 0.000 1.300 1173 I CB -1.379 36.711 38.000 0.149 0.000 1.010 1173 I HN 0.433 nan 8.210 nan 0.000 0.406 1174 W N 2.762 124.072 121.300 0.017 0.000 2.311 1174 W HA -0.290 4.370 4.660 0.000 0.000 0.326 1174 W C 3.162 179.701 176.519 0.034 0.000 1.239 1174 W CA 2.795 60.137 57.345 -0.005 0.000 1.258 1174 W CB -1.047 28.283 29.460 -0.217 0.000 1.165 1174 W HN 0.360 nan 8.180 nan 0.000 0.466 1175 S N -0.135 115.439 115.700 -0.210 0.000 2.414 1175 S HA -0.079 4.391 4.470 0.000 0.000 0.227 1175 S C 1.794 176.339 174.600 -0.092 0.000 1.022 1175 S CA 1.169 59.150 58.200 -0.366 0.000 0.958 1175 S CB -0.386 62.593 63.200 -0.369 0.000 0.797 1175 S HN 0.191 nan 8.310 nan 0.000 0.493 1176 K N 0.917 121.346 120.400 0.048 0.000 2.262 1176 K HA 0.208 4.528 4.320 0.000 0.000 0.200 1176 K C 2.099 178.861 176.600 0.269 0.000 1.049 1176 K CA 1.199 57.557 56.287 0.118 0.000 0.979 1176 K CB 0.275 32.857 32.500 0.137 0.000 0.773 1176 K HN 0.563 nan 8.250 nan 0.000 0.474 1177 V N -2.608 117.457 119.914 0.252 0.000 3.137 1177 V HA 0.080 4.200 4.120 0.000 0.000 0.236 1177 V C 2.009 178.283 176.094 0.299 0.000 1.260 1177 V CA -0.083 62.387 62.300 0.283 0.000 1.244 1177 V CB -0.578 31.252 31.823 0.011 0.000 1.016 1177 V HN 0.048 nan 8.190 nan 0.000 0.477 1178 Y N 2.330 122.750 120.300 0.200 0.000 2.089 1178 Y HA -0.089 4.461 4.550 0.000 0.000 0.282 1178 Y C 2.268 178.314 175.900 0.243 0.000 1.139 1178 Y CA 2.401 60.638 58.100 0.230 0.000 1.123 1178 Y CB -0.688 37.923 38.460 0.253 0.000 0.980 1178 Y HN 0.506 nan 8.280 nan 0.000 0.493 1179 D N -0.552 119.852 120.400 0.006 0.000 2.127 1179 D HA -0.196 4.444 4.640 0.000 0.000 0.190 1179 D C -0.612 175.658 176.300 -0.050 0.000 1.000 1179 D CA 2.289 56.227 54.000 -0.104 0.000 0.839 1179 D CB -1.136 39.587 40.800 -0.129 0.000 0.955 1179 D HN 0.259 nan 8.370 nan 0.000 0.446 1180 P HA -0.134 nan 4.420 nan 0.000 0.213 1180 P C 1.735 179.099 177.300 0.106 0.000 1.170 1180 P CA 1.016 64.136 63.100 0.034 0.000 0.902 1180 P CB -0.125 31.640 31.700 0.107 0.000 0.789 1181 L N -2.691 118.640 121.223 0.181 0.000 2.043 1181 L HA -0.247 4.093 4.340 0.000 0.000 0.212 1181 L C 2.596 179.497 176.870 0.051 0.000 1.075 1181 L CA 1.885 56.807 54.840 0.138 0.000 0.752 1181 L CB -1.003 41.144 42.059 0.146 0.000 0.891 1181 L HN 0.012 nan 8.230 nan 0.000 0.432 1182 Y N 0.472 120.658 120.300 -0.192 0.000 2.062 1182 Y HA -0.310 4.240 4.550 0.000 0.000 0.272 1182 Y C 2.896 178.807 175.900 0.018 0.000 1.117 1182 Y CA 1.767 59.756 58.100 -0.186 0.000 1.095 1182 Y CB -0.756 37.437 38.460 -0.444 0.000 0.985 1182 Y HN 0.147 nan 8.280 nan 0.000 0.479 1183 C N 0.700 120.080 119.300 0.134 0.000 2.375 1183 C HA -0.298 4.162 4.460 0.000 0.000 0.274 1183 C C 2.554 177.694 174.990 0.251 0.000 1.190 1183 C CA 1.659 60.779 59.018 0.171 0.000 1.775 1183 C CB -1.420 26.340 27.740 0.033 0.000 2.067 1183 C HN 0.665 nan 8.230 nan 0.000 0.463 1184 E N 1.061 121.364 120.200 0.171 0.000 2.033 1184 E HA -0.218 4.132 4.350 0.000 0.000 0.199 1184 E C 2.374 179.079 176.600 0.176 0.000 1.011 1184 E CA 2.172 58.631 56.400 0.098 0.000 0.815 1184 E CB -0.164 29.563 29.700 0.046 0.000 0.755 1184 E HN 0.824 nan 8.360 nan 0.000 0.451 1185 S N -0.063 115.678 115.700 0.068 0.000 2.400 1185 S HA -0.142 4.329 4.470 0.000 0.000 0.232 1185 S C 2.121 176.705 174.600 -0.026 0.000 1.025 1185 S CA 1.210 59.424 58.200 0.023 0.000 0.993 1185 S CB -0.457 62.712 63.200 -0.052 0.000 0.808 1185 S HN 0.089 nan 8.310 nan 0.000 0.478 1186 V N 1.538 121.380 119.914 -0.120 0.000 2.515 1186 V HA -0.093 4.027 4.120 0.000 0.000 0.250 1186 V C 1.378 177.389 176.094 -0.138 0.000 1.058 1186 V CA 1.727 63.919 62.300 -0.180 0.000 1.064 1186 V CB -0.973 30.709 31.823 -0.236 0.000 0.675 1186 V HN 0.631 nan 8.190 nan 0.000 0.461 1187 H N 0.356 119.517 119.070 0.152 0.000 2.550 1187 H HA 0.302 4.858 4.556 0.000 0.000 0.304 1187 H C 0.400 175.899 175.328 0.286 0.000 1.086 1187 H CA -0.513 55.685 56.048 0.250 0.000 1.089 1187 H CB -0.671 29.319 29.762 0.380 0.000 1.528 1187 H HN 0.306 nan 8.280 nan 0.000 0.539 1188 N N 0.756 119.585 118.700 0.215 0.000 2.688 1188 N HA -0.227 4.513 4.740 0.000 0.000 0.258 1188 N C -1.004 174.575 175.510 0.116 0.000 1.016 1188 N CA 0.831 53.952 53.050 0.119 0.000 0.747 1188 N CB -1.322 37.181 38.487 0.026 0.000 0.895 1188 N HN 0.285 nan 8.380 nan 0.000 0.543 1189 F N -0.031 119.917 119.950 -0.003 0.000 2.497 1189 F HA 0.334 4.861 4.527 0.000 0.000 0.331 1189 F C 1.275 177.060 175.800 -0.027 0.000 1.060 1189 F CA -0.422 57.559 58.000 -0.032 0.000 0.989 1189 F CB 1.154 40.136 39.000 -0.029 0.000 1.245 1189 F HN -0.206 nan 8.300 nan 0.000 0.486 1190 T N 4.111 118.738 114.554 0.122 0.000 2.762 1190 T HA 0.323 4.673 4.350 0.000 0.000 0.303 1190 T C -0.313 174.426 174.700 0.065 0.000 0.977 1190 T CA -0.455 61.678 62.100 0.055 0.000 0.961 1190 T CB -0.081 68.788 68.868 0.001 0.000 0.944 1190 T HN 0.087 nan 8.240 nan 0.000 0.481 1191 L N 6.496 127.739 121.223 0.032 0.000 2.456 1191 L HA 0.298 4.638 4.340 0.000 0.000 0.272 1191 L C -1.511 175.286 176.870 -0.122 0.000 1.189 1191 L CA -2.006 52.814 54.840 -0.034 0.000 0.846 1191 L CB -0.361 41.661 42.059 -0.063 0.000 1.111 1191 L HN 0.407 nan 8.230 nan 0.000 0.475 1192 P HA 0.042 nan 4.420 nan 0.000 0.266 1192 P C 0.604 177.672 177.300 -0.386 0.000 1.193 1192 P CA -0.001 62.921 63.100 -0.298 0.000 0.770 1192 P CB 0.315 31.756 31.700 -0.432 0.000 0.836 1193 S N 2.388 117.993 115.700 -0.159 0.000 2.378 1193 S HA -0.204 4.266 4.470 0.000 0.000 0.229 1193 S C 1.690 176.277 174.600 -0.022 0.000 1.052 1193 S CA 1.716 59.888 58.200 -0.048 0.000 1.084 1193 S CB -1.080 62.156 63.200 0.060 0.000 0.950 1193 S HN 0.778 nan 8.310 nan 0.000 0.440 1194 W N 2.055 123.395 121.300 0.066 0.000 2.538 1194 W HA 0.289 4.949 4.660 0.000 0.000 0.254 1194 W C 0.848 177.411 176.519 0.073 0.000 1.249 1194 W CA 0.222 57.600 57.345 0.056 0.000 1.253 1194 W CB -0.559 28.919 29.460 0.029 0.000 1.130 1194 W HN 0.286 nan 8.180 nan 0.000 0.618 1195 A N 2.773 125.347 122.820 -0.411 0.000 3.091 1195 A HA 0.272 4.592 4.320 0.000 0.000 0.264 1195 A C 0.586 178.146 177.584 -0.041 0.000 1.673 1195 A CA 0.483 52.336 52.037 -0.305 0.000 1.362 1195 A CB -0.997 17.642 19.000 -0.602 0.000 1.137 1195 A HN 0.204 nan 8.150 nan 0.000 0.617 1196 T N -1.805 112.804 114.554 0.091 0.000 2.882 1196 T HA 0.144 4.494 4.350 0.000 0.000 0.287 1196 T C 1.085 175.846 174.700 0.101 0.000 1.014 1196 T CA 0.106 62.258 62.100 0.087 0.000 1.049 1196 T CB 0.832 69.763 68.868 0.107 0.000 1.001 1196 T HN 0.585 nan 8.240 nan 0.000 0.525 1197 E N 0.896 121.142 120.200 0.077 0.000 2.169 1197 E HA -0.304 4.046 4.350 0.000 0.000 0.202 1197 E C 1.392 178.040 176.600 0.080 0.000 1.016 1197 E CA 2.157 58.603 56.400 0.077 0.000 0.817 1197 E CB -0.174 29.560 29.700 0.056 0.000 0.736 1197 E HN 0.889 nan 8.360 nan 0.000 0.462 1198 D N -0.820 119.627 120.400 0.078 0.000 2.084 1198 D HA -0.120 4.521 4.640 0.000 0.000 0.196 1198 D C 1.668 178.014 176.300 0.076 0.000 0.985 1198 D CA 2.057 56.093 54.000 0.060 0.000 0.826 1198 D CB -0.022 40.815 40.800 0.063 0.000 0.978 1198 D HN 0.160 nan 8.370 nan 0.000 0.456 1199 T N 1.255 115.913 114.554 0.173 0.000 2.699 1199 T HA -0.188 4.162 4.350 0.000 0.000 0.268 1199 T C 2.052 176.901 174.700 0.248 0.000 1.036 1199 T CA 1.199 63.486 62.100 0.312 0.000 1.147 1199 T CB -0.117 69.023 68.868 0.454 0.000 0.862 1199 T HN 0.182 nan 8.240 nan 0.000 0.446 1200 M N 1.260 120.987 119.600 0.211 0.000 2.059 1200 M HA -0.090 4.390 4.480 0.000 0.000 0.259 1200 M C 2.662 179.040 176.300 0.130 0.000 1.072 1200 M CA 1.666 57.113 55.300 0.245 0.000 1.117 1200 M CB -1.825 30.918 32.600 0.239 0.000 1.320 1200 M HN 0.261 nan 8.290 nan 0.000 0.408 1201 T N 0.336 114.926 114.554 0.061 0.000 2.635 1201 T HA -0.213 4.137 4.350 0.000 0.000 0.267 1201 T C 1.918 176.550 174.700 -0.112 0.000 1.040 1201 T CA 1.833 63.921 62.100 -0.021 0.000 1.156 1201 T CB -0.266 68.594 68.868 -0.015 0.000 0.863 1201 T HN 0.252 nan 8.240 nan 0.000 0.430 1202 K N 0.377 120.678 120.400 -0.164 0.000 2.103 1202 K HA 0.019 4.339 4.320 0.000 0.000 0.207 1202 K C 2.132 178.510 176.600 -0.370 0.000 1.048 1202 K CA 0.970 57.055 56.287 -0.337 0.000 0.930 1202 K CB -0.297 31.699 32.500 -0.841 0.000 0.716 1202 K HN 0.284 nan 8.250 nan 0.000 0.444 1203 L N -0.249 120.858 121.223 -0.194 0.000 2.072 1203 L HA -0.123 4.217 4.340 0.000 0.000 0.205 1203 L C 2.622 179.209 176.870 -0.471 0.000 1.079 1203 L CA 1.074 55.864 54.840 -0.083 0.000 0.752 1203 L CB -0.312 41.902 42.059 0.258 0.000 0.906 1203 L HN 0.217 nan 8.230 nan 0.000 0.436 1204 R N 0.609 120.714 120.500 -0.658 0.000 2.070 1204 R HA -0.200 4.140 4.340 0.000 0.000 0.233 1204 R C 2.072 178.022 176.300 -0.584 0.000 1.137 1204 R CA 1.797 57.322 56.100 -0.957 0.000 0.945 1204 R CB -0.171 29.806 30.300 -0.537 0.000 0.845 1204 R HN 0.327 nan 8.270 nan 0.000 0.430 1205 E N 0.552 120.516 120.200 -0.394 0.000 2.086 1205 E HA -0.260 4.090 4.350 0.000 0.000 0.200 1205 E C 2.133 178.446 176.600 -0.479 0.000 1.012 1205 E CA 1.764 57.958 56.400 -0.343 0.000 0.812 1205 E CB -0.207 29.375 29.700 -0.196 0.000 0.743 1205 E HN 0.392 nan 8.360 nan 0.000 0.453 1206 L N 0.581 121.462 121.223 -0.570 0.000 2.046 1206 L HA -0.197 4.143 4.340 0.000 0.000 0.208 1206 L C 2.574 179.208 176.870 -0.393 0.000 1.077 1206 L CA 0.919 55.434 54.840 -0.543 0.000 0.747 1206 L CB -0.263 41.565 42.059 -0.384 0.000 0.896 1206 L HN 0.107 nan 8.230 nan 0.000 0.432 1207 S N -0.471 114.961 115.700 -0.447 0.000 2.356 1207 S HA -0.230 4.240 4.470 0.000 0.000 0.223 1207 S C 1.779 175.929 174.600 -0.751 0.000 1.032 1207 S CA 1.345 59.176 58.200 -0.615 0.000 1.005 1207 S CB -0.168 62.591 63.200 -0.735 0.000 0.867 1207 S HN 0.403 nan 8.310 nan 0.000 0.449 1208 E N 0.464 120.319 120.200 -0.575 0.000 2.070 1208 E HA -0.203 4.147 4.350 0.000 0.000 0.197 1208 E C 2.090 178.511 176.600 -0.299 0.000 1.004 1208 E CA 1.330 57.480 56.400 -0.417 0.000 0.805 1208 E CB -0.266 29.257 29.700 -0.296 0.000 0.744 1208 E HN 0.323 nan 8.360 nan 0.000 0.451 1209 L N 0.826 121.892 121.223 -0.261 0.000 2.131 1209 L HA -0.168 4.172 4.340 0.000 0.000 0.210 1209 L C 2.254 179.066 176.870 -0.096 0.000 1.092 1209 L CA 2.201 56.961 54.840 -0.134 0.000 0.759 1209 L CB -0.658 41.316 42.059 -0.143 0.000 0.903 1209 L HN 0.088 nan 8.230 nan 0.000 0.435 1210 S N -0.838 114.742 115.700 -0.200 0.000 2.368 1210 S HA -0.188 4.282 4.470 0.000 0.000 0.225 1210 S C 2.020 176.511 174.600 -0.181 0.000 1.030 1210 S CA 1.365 59.483 58.200 -0.137 0.000 0.999 1210 S CB -0.835 62.258 63.200 -0.179 0.000 0.844 1210 S HN 0.388 nan 8.310 nan 0.000 0.459 1211 L N 1.343 122.351 121.223 -0.358 0.000 2.027 1211 L HA 0.237 4.577 4.340 0.000 0.000 0.206 1211 L C 2.500 179.288 176.870 -0.137 0.000 1.074 1211 L CA 1.330 55.992 54.840 -0.297 0.000 0.745 1211 L CB -1.260 40.596 42.059 -0.339 0.000 0.898 1211 L HN 0.389 nan 8.230 nan 0.000 0.433 1212 L N -0.712 120.492 121.223 -0.032 0.000 1.970 1212 L HA -0.271 4.069 4.340 0.000 0.000 0.212 1212 L C 2.605 179.498 176.870 0.038 0.000 1.071 1212 L CA 1.975 56.857 54.840 0.069 0.000 0.751 1212 L CB -0.646 41.474 42.059 0.101 0.000 0.889 1212 L HN 0.484 nan 8.230 nan 0.000 0.432 1213 S N -0.583 115.121 115.700 0.006 0.000 2.469 1213 S HA -0.188 4.283 4.470 0.000 0.000 0.238 1213 S C 1.888 176.417 174.600 -0.119 0.000 0.998 1213 S CA 0.794 58.952 58.200 -0.069 0.000 0.957 1213 S CB -0.455 62.653 63.200 -0.153 0.000 0.764 1213 S HN 0.439 nan 8.310 nan 0.000 0.514 1214 L N -0.901 120.257 121.223 -0.108 0.000 2.068 1214 L HA 0.060 4.400 4.340 0.000 0.000 0.204 1214 L C 1.825 178.661 176.870 -0.058 0.000 1.076 1214 L CA 1.558 56.306 54.840 -0.154 0.000 0.753 1214 L CB -0.243 41.651 42.059 -0.275 0.000 0.910 1214 L HN 0.310 nan 8.230 nan 0.000 0.439 1215 Y N -0.845 119.499 120.300 0.073 0.000 2.497 1215 Y HA 0.320 4.871 4.550 0.000 0.000 0.265 1215 Y C 1.222 177.157 175.900 0.058 0.000 1.111 1215 Y CA 0.081 58.225 58.100 0.073 0.000 1.288 1215 Y CB 0.238 38.672 38.460 -0.043 0.000 1.082 1215 Y HN 0.132 nan 8.280 nan 0.000 0.536 1216 G N -0.887 108.020 108.800 0.178 0.000 3.003 1216 G HA2 0.403 4.363 3.960 0.000 0.000 0.243 1216 G HA3 0.403 4.363 3.960 0.000 0.000 0.243 1216 G C 0.595 175.564 174.900 0.114 0.000 1.176 1216 G CA -0.101 45.081 45.100 0.137 0.000 0.812 1216 G HN 0.383 nan 8.290 nan 0.000 0.584 1217 I N -2.558 118.083 120.570 0.118 0.000 3.700 1217 I HA -0.346 3.824 4.170 0.000 0.000 0.172 1217 I C 0.514 176.732 176.117 0.168 0.000 0.369 1217 I CA 2.605 63.980 61.300 0.125 0.000 1.256 1217 I CB -1.301 36.776 38.000 0.128 0.000 1.088 1217 I HN 0.788 nan 8.210 nan 0.000 0.249 1218 H N 1.668 120.751 119.070 0.022 0.000 5.246 1218 H HA 0.450 5.006 4.556 0.000 0.000 0.117 1218 H C 0.847 176.185 175.328 0.016 0.000 1.327 1218 H CA 1.028 57.080 56.048 0.007 0.000 0.393 1218 H CB 0.004 29.744 29.762 -0.036 0.000 1.660 1218 H HN 0.160 nan 8.280 nan 0.000 0.203 1219 K N 1.078 121.210 120.400 -0.447 0.000 2.546 1219 K HA -0.002 4.318 4.320 0.000 0.000 0.198 1219 K C 1.319 177.858 176.600 -0.100 0.000 1.028 1219 K CA 0.426 56.498 56.287 -0.358 0.000 1.150 1219 K CB -0.013 32.219 32.500 -0.446 0.000 0.876 1219 K HN 0.394 nan 8.250 nan 0.000 0.508 1220 Q N 1.254 121.047 119.800 -0.011 0.000 2.473 1220 Q HA -0.466 3.874 4.340 0.000 0.000 0.238 1220 Q C 1.314 177.336 176.000 0.036 0.000 1.088 1220 Q CA 2.860 58.690 55.803 0.045 0.000 0.989 1220 Q CB -0.108 28.659 28.738 0.049 0.000 0.972 1220 Q HN 0.129 nan 8.270 nan 0.000 0.543 1221 K N -0.112 120.295 120.400 0.012 0.000 2.049 1221 K HA -0.313 4.007 4.320 0.000 0.000 0.219 1221 K C 2.066 178.676 176.600 0.017 0.000 1.056 1221 K CA 2.218 58.509 56.287 0.007 0.000 0.946 1221 K CB -0.602 31.894 32.500 -0.006 0.000 0.723 1221 K HN 0.584 nan 8.250 nan 0.000 0.453 1222 E N 1.039 121.242 120.200 0.006 0.000 2.070 1222 E HA -0.212 4.139 4.350 0.000 0.000 0.197 1222 E C 1.982 178.626 176.600 0.074 0.000 1.004 1222 E CA 1.646 58.056 56.400 0.018 0.000 0.805 1222 E CB 0.081 29.773 29.700 -0.014 0.000 0.744 1222 E HN 0.218 nan 8.360 nan 0.000 0.451 1223 K N 0.036 120.504 120.400 0.114 0.000 2.020 1223 K HA -0.148 4.172 4.320 0.000 0.000 0.212 1223 K C 2.439 179.138 176.600 0.164 0.000 1.050 1223 K CA 1.639 58.077 56.287 0.252 0.000 0.929 1223 K CB -0.248 32.441 32.500 0.314 0.000 0.714 1223 K HN 0.048 nan 8.250 nan 0.000 0.443 1224 S N 0.770 116.524 115.700 0.090 0.000 2.402 1224 S HA -0.141 4.330 4.470 0.000 0.000 0.233 1224 S C 1.623 176.250 174.600 0.045 0.000 1.030 1224 S CA 1.235 59.449 58.200 0.023 0.000 1.003 1224 S CB -0.190 63.008 63.200 -0.004 0.000 0.813 1224 S HN 0.296 nan 8.310 nan 0.000 0.477 1225 R N 0.480 121.022 120.500 0.069 0.000 2.280 1225 R HA 0.095 4.435 4.340 0.000 0.000 0.207 1225 R C 0.998 177.409 176.300 0.185 0.000 1.043 1225 R CA 0.707 56.863 56.100 0.093 0.000 1.006 1225 R CB -0.214 30.121 30.300 0.059 0.000 0.885 1225 R HN 0.403 nan 8.270 nan 0.000 0.467 1226 L N -0.302 121.036 121.223 0.191 0.000 2.858 1226 L HA 0.218 4.558 4.340 0.000 0.000 0.251 1226 L C -0.207 176.915 176.870 0.420 0.000 1.149 1226 L CA -0.114 54.940 54.840 0.357 0.000 0.955 1226 L CB 0.487 42.606 42.059 0.101 0.000 1.289 1226 L HN -0.047 nan 8.230 nan 0.000 0.542 1227 Q N 0.476 120.356 119.800 0.134 0.000 2.406 1227 Q HA 0.411 4.752 4.340 0.000 0.000 0.244 1227 Q C 0.352 176.237 176.000 -0.191 0.000 0.884 1227 Q CA 0.392 56.149 55.803 -0.077 0.000 0.813 1227 Q CB 1.995 30.587 28.738 -0.244 0.000 1.368 1227 Q HN 0.261 nan 8.270 nan 0.000 0.439 1228 G N 1.886 110.583 108.800 -0.172 0.000 2.284 1228 G HA2 -0.331 3.630 3.960 0.000 0.000 0.230 1228 G HA3 -0.331 3.630 3.960 0.000 0.000 0.230 1228 G C 0.833 175.673 174.900 -0.100 0.000 1.021 1228 G CA 0.381 45.358 45.100 -0.205 0.000 0.619 1228 G HN 0.730 nan 8.290 nan 0.000 0.510 1229 G N 0.416 109.193 108.800 -0.037 0.000 2.471 1229 G HA2 0.165 4.125 3.960 0.000 0.000 0.219 1229 G HA3 0.165 4.125 3.960 0.000 0.000 0.219 1229 G C 1.733 176.639 174.900 0.011 0.000 1.125 1229 G CA 2.405 47.504 45.100 -0.002 0.000 0.775 1229 G HN 1.175 nan 8.290 nan 0.000 0.548 1230 V N 0.497 120.418 119.914 0.013 0.000 2.323 1230 V HA 0.003 4.123 4.120 0.000 0.000 0.244 1230 V C 2.609 178.684 176.094 -0.032 0.000 1.041 1230 V CA 0.887 63.177 62.300 -0.017 0.000 1.025 1230 V CB -0.653 31.140 31.823 -0.049 0.000 0.656 1230 V HN 0.286 nan 8.190 nan 0.000 0.451 1231 L N -0.085 121.104 121.223 -0.056 0.000 2.056 1231 L HA -0.111 4.229 4.340 0.000 0.000 0.207 1231 L C 2.582 179.435 176.870 -0.027 0.000 1.078 1231 L CA 1.462 56.245 54.840 -0.094 0.000 0.749 1231 L CB -0.144 41.820 42.059 -0.158 0.000 0.901 1231 L HN 0.209 nan 8.230 nan 0.000 0.433 1232 V N 0.719 120.624 119.914 -0.014 0.000 2.252 1232 V HA -0.364 3.756 4.120 0.000 0.000 0.249 1232 V C 2.423 178.576 176.094 0.098 0.000 1.056 1232 V CA 2.282 64.613 62.300 0.051 0.000 1.022 1232 V CB -0.698 31.137 31.823 0.021 0.000 0.641 1232 V HN 0.582 nan 8.190 nan 0.000 0.445 1233 N N 0.291 119.026 118.700 0.058 0.000 2.018 1233 N HA -0.258 4.482 4.740 0.000 0.000 0.196 1233 N C 1.878 177.437 175.510 0.082 0.000 1.043 1233 N CA 2.416 55.503 53.050 0.062 0.000 0.856 1233 N CB -0.433 38.070 38.487 0.027 0.000 1.042 1233 N HN 0.616 nan 8.380 nan 0.000 0.423 1234 E N 0.071 120.315 120.200 0.073 0.000 2.065 1234 E HA -0.178 4.173 4.350 0.000 0.000 0.201 1234 E C 2.043 178.810 176.600 0.278 0.000 1.016 1234 E CA 1.774 58.255 56.400 0.134 0.000 0.818 1234 E CB -0.381 29.382 29.700 0.105 0.000 0.749 1234 E HN 0.385 nan 8.360 nan 0.000 0.453 1235 I N 1.028 121.757 120.570 0.264 0.000 2.099 1235 I HA -0.271 3.899 4.170 0.000 0.000 0.239 1235 I C 2.531 178.816 176.117 0.281 0.000 1.066 1235 I CA 1.217 62.715 61.300 0.329 0.000 1.324 1235 I CB -1.483 36.671 38.000 0.257 0.000 1.037 1235 I HN 0.386 nan 8.210 nan 0.000 0.401 1236 L N 1.046 122.403 121.223 0.223 0.000 2.012 1236 L HA -0.262 4.078 4.340 0.000 0.000 0.210 1236 L C 2.234 179.150 176.870 0.077 0.000 1.073 1236 L CA 2.000 56.950 54.840 0.183 0.000 0.748 1236 L CB -0.978 41.238 42.059 0.262 0.000 0.891 1236 L HN 0.425 nan 8.230 nan 0.000 0.431 1237 N N -1.213 117.521 118.700 0.057 0.000 2.205 1237 N HA -0.239 4.501 4.740 0.000 0.000 0.186 1237 N C 1.740 177.167 175.510 -0.138 0.000 1.015 1237 N CA 0.949 53.970 53.050 -0.049 0.000 0.862 1237 N CB 0.014 38.463 38.487 -0.063 0.000 0.986 1237 N HN 0.520 nan 8.380 nan 0.000 0.429 1238 H N 0.422 119.461 119.070 -0.051 0.000 2.317 1238 H HA 0.048 4.604 4.556 0.000 0.000 0.304 1238 H C 2.204 177.233 175.328 -0.498 0.000 1.067 1238 H CA 0.895 56.855 56.048 -0.145 0.000 1.352 1238 H CB -0.071 29.771 29.762 0.134 0.000 1.398 1238 H HN 0.234 nan 8.280 nan 0.000 0.510 1239 M N 0.642 120.126 119.600 -0.195 0.000 2.106 1239 M HA -0.217 4.263 4.480 0.000 0.000 0.259 1239 M C 2.293 178.344 176.300 -0.415 0.000 1.068 1239 M CA 1.656 56.757 55.300 -0.330 0.000 1.100 1239 M CB -0.140 32.404 32.600 -0.093 0.000 1.351 1239 M HN 0.144 nan 8.290 nan 0.000 0.404 1240 K N -0.404 119.809 120.400 -0.312 0.000 2.032 1240 K HA -0.154 4.166 4.320 0.000 0.000 0.209 1240 K C 2.080 178.417 176.600 -0.438 0.000 1.048 1240 K CA 1.304 57.402 56.287 -0.314 0.000 0.927 1240 K CB -0.258 32.120 32.500 -0.202 0.000 0.712 1240 K HN 0.301 nan 8.250 nan 0.000 0.441 1241 R N 0.301 120.463 120.500 -0.564 0.000 2.127 1241 R HA -0.110 4.231 4.340 0.000 0.000 0.238 1241 R C 2.272 177.985 176.300 -0.978 0.000 1.134 1241 R CA 1.174 56.802 56.100 -0.786 0.000 0.975 1241 R CB -0.236 29.423 30.300 -1.067 0.000 0.865 1241 R HN 0.216 nan 8.270 nan 0.000 0.447 1242 A N -0.422 121.801 122.820 -0.996 0.000 1.969 1242 A HA -0.118 4.202 4.320 0.000 0.000 0.218 1242 A C 2.060 179.362 177.584 -0.470 0.000 1.169 1242 A CA 1.648 53.270 52.037 -0.692 0.000 0.635 1242 A CB -0.440 18.161 19.000 -0.665 0.000 0.810 1242 A HN 0.227 nan 8.150 nan 0.000 0.445 1243 T N -1.143 113.083 114.554 -0.547 0.000 3.023 1243 T HA -0.028 4.322 4.350 0.000 0.000 0.266 1243 T C 2.035 176.550 174.700 -0.308 0.000 1.093 1243 T CA 1.500 63.260 62.100 -0.567 0.000 1.129 1243 T CB -0.068 68.382 68.868 -0.698 0.000 0.899 1243 T HN 0.535 nan 8.240 nan 0.000 0.491 1244 Q N 0.288 119.905 119.800 -0.306 0.000 2.013 1244 Q HA 0.238 4.578 4.340 0.000 0.000 0.195 1244 Q C 0.155 176.063 176.000 -0.152 0.000 0.974 1244 Q CA 0.825 56.503 55.803 -0.208 0.000 0.826 1244 Q CB 0.128 28.728 28.738 -0.230 0.000 0.895 1244 Q HN 0.424 nan 8.270 nan 0.000 0.448 1245 I N 2.106 122.576 120.570 -0.167 0.000 2.365 1245 I HA 0.128 4.299 4.170 0.000 0.000 0.291 1245 I C -1.686 174.406 176.117 -0.042 0.000 1.004 1245 I CA -1.510 59.746 61.300 -0.073 0.000 1.311 1245 I CB 1.260 39.258 38.000 -0.003 0.000 1.401 1245 I HN 0.182 nan 8.210 nan 0.000 0.491 1246 P HA -0.040 nan 4.420 nan 0.000 0.237 1246 P C 0.658 177.954 177.300 -0.007 0.000 1.178 1246 P CA 0.642 63.726 63.100 -0.027 0.000 0.766 1246 P CB 0.470 32.149 31.700 -0.035 0.000 0.876 1247 S N -1.102 114.606 115.700 0.013 0.000 2.668 1247 S HA 0.249 4.719 4.470 0.000 0.000 0.244 1247 S C -0.476 174.151 174.600 0.044 0.000 1.140 1247 S CA -0.649 57.554 58.200 0.004 0.000 1.134 1247 S CB -0.617 62.567 63.200 -0.026 0.000 0.954 1247 S HN -0.052 nan 8.310 nan 0.000 0.490 1248 Y N 3.006 123.266 120.300 -0.067 0.000 2.326 1248 Y HA 0.395 4.945 4.550 0.000 0.000 0.324 1248 Y C 0.532 176.431 175.900 -0.001 0.000 1.291 1248 Y CA -0.765 57.299 58.100 -0.060 0.000 1.348 1248 Y CB 0.607 38.998 38.460 -0.116 0.000 1.294 1248 Y HN 0.144 nan 8.280 nan 0.000 0.525 1249 K N 3.253 123.410 120.400 -0.405 0.000 2.489 1249 K HA 0.001 4.321 4.320 0.000 0.000 0.278 1249 K C 0.374 177.124 176.600 0.251 0.000 1.000 1249 K CA 0.018 56.232 56.287 -0.122 0.000 1.012 1249 K CB 0.753 33.138 32.500 -0.193 0.000 0.903 1249 K HN 0.701 nan 8.250 nan 0.000 0.485 1250 K N 0.862 121.355 120.400 0.155 0.000 2.067 1250 K HA -0.027 4.294 4.320 0.000 0.000 0.203 1250 K C 0.535 177.276 176.600 0.234 0.000 1.048 1250 K CA 0.600 57.037 56.287 0.250 0.000 0.954 1250 K CB 0.013 32.398 32.500 -0.191 0.000 0.737 1250 K HN 0.352 nan 8.250 nan 0.000 0.444 1251 L N 0.754 122.031 121.223 0.090 0.000 2.381 1251 L HA 0.491 4.831 4.340 0.000 0.000 0.268 1251 L C -1.553 175.271 176.870 -0.077 0.000 0.997 1251 L CA -0.569 54.244 54.840 -0.046 0.000 0.818 1251 L CB 1.733 43.860 42.059 0.114 0.000 1.310 1251 L HN -0.009 nan 8.230 nan 0.000 0.416 1252 I N 5.122 125.552 120.570 -0.233 0.000 2.512 1252 I HA 0.405 4.576 4.170 0.000 0.000 0.287 1252 I C -0.960 174.914 176.117 -0.406 0.000 1.069 1252 I CA -0.448 60.693 61.300 -0.264 0.000 1.056 1252 I CB 2.057 39.849 38.000 -0.346 0.000 1.229 1252 I HN 0.585 nan 8.210 nan 0.000 0.429 1253 M N 5.833 125.206 119.600 -0.378 0.000 2.294 1253 M HA 0.441 4.921 4.480 0.000 0.000 0.335 1253 M C -1.551 174.428 176.300 -0.535 0.000 1.079 1253 M CA -0.563 54.492 55.300 -0.408 0.000 0.982 1253 M CB 1.615 34.132 32.600 -0.139 0.000 1.651 1253 M HN 0.289 nan 8.290 nan 0.000 0.437 1254 Y N 1.020 121.112 120.300 -0.347 0.000 2.575 1254 Y HA 0.315 4.865 4.550 0.000 0.000 0.326 1254 Y C 0.346 176.014 175.900 -0.387 0.000 0.979 1254 Y CA -0.882 57.068 58.100 -0.249 0.000 1.286 1254 Y CB 1.447 39.822 38.460 -0.141 0.000 1.093 1254 Y HN 0.557 nan 8.280 nan 0.000 0.501 1255 S N 2.923 118.597 115.700 -0.043 0.000 2.430 1255 S HA 0.758 5.229 4.470 0.000 0.000 0.282 1255 S C 0.070 174.748 174.600 0.130 0.000 1.186 1255 S CA 0.051 58.362 58.200 0.186 0.000 1.060 1255 S CB -0.343 63.053 63.200 0.327 0.000 0.966 1255 S HN 0.789 nan 8.310 nan 0.000 0.501 1256 A N 5.015 127.919 122.820 0.141 0.000 2.701 1256 A HA 0.750 5.070 4.320 0.000 0.000 0.290 1256 A C -0.843 176.709 177.584 -0.053 0.000 1.267 1256 A CA -0.800 51.252 52.037 0.025 0.000 0.709 1256 A CB 0.746 19.833 19.000 0.145 0.000 1.352 1256 A HN 0.885 nan 8.150 nan 0.000 0.519 1257 H N -0.505 118.714 119.070 0.248 0.000 2.693 1257 H HA 0.271 4.827 4.556 0.000 0.000 0.348 1257 H C -0.029 175.400 175.328 0.168 0.000 1.222 1257 H CA 0.032 56.219 56.048 0.232 0.000 1.270 1257 H CB 0.940 30.886 29.762 0.306 0.000 1.798 1257 H HN 0.773 nan 8.280 nan 0.000 0.592 1258 D N -0.119 120.452 120.400 0.284 0.000 2.149 1258 D HA -0.189 4.451 4.640 0.000 0.000 0.198 1258 D C 1.554 178.002 176.300 0.246 0.000 0.990 1258 D CA 2.024 56.165 54.000 0.234 0.000 0.839 1258 D CB -1.009 39.932 40.800 0.235 0.000 0.948 1258 D HN 0.604 nan 8.370 nan 0.000 0.460 1259 T N -1.992 112.741 114.554 0.298 0.000 2.849 1259 T HA -0.160 4.190 4.350 0.000 0.000 0.270 1259 T C 1.897 176.719 174.700 0.204 0.000 1.066 1259 T CA 1.890 64.180 62.100 0.317 0.000 1.130 1259 T CB -0.897 68.132 68.868 0.268 0.000 0.864 1259 T HN 0.244 nan 8.240 nan 0.000 0.481 1260 T N 1.819 116.458 114.554 0.142 0.000 2.735 1260 T HA 0.029 4.379 4.350 0.000 0.000 0.256 1260 T C 2.253 176.919 174.700 -0.057 0.000 1.042 1260 T CA 0.771 62.879 62.100 0.014 0.000 1.147 1260 T CB -0.697 68.219 68.868 0.081 0.000 0.865 1260 T HN 0.189 nan 8.240 nan 0.000 0.421 1261 V N 2.747 122.673 119.914 0.020 0.000 2.250 1261 V HA -0.247 3.873 4.120 0.000 0.000 0.250 1261 V C 2.957 178.992 176.094 -0.098 0.000 1.060 1261 V CA 2.420 64.702 62.300 -0.029 0.000 1.030 1261 V CB -1.135 30.741 31.823 0.089 0.000 0.643 1261 V HN 0.693 nan 8.190 nan 0.000 0.445 1262 S N 0.652 116.323 115.700 -0.048 0.000 2.355 1262 S HA -0.081 4.389 4.470 0.000 0.000 0.222 1262 S C 2.177 176.537 174.600 -0.400 0.000 1.031 1262 S CA 1.243 59.304 58.200 -0.231 0.000 0.993 1262 S CB -1.219 61.805 63.200 -0.294 0.000 0.859 1262 S HN 0.568 nan 8.310 nan 0.000 0.453 1263 G N 1.994 110.526 108.800 -0.447 0.000 2.475 1263 G HA2 -0.178 3.782 3.960 0.000 0.000 0.220 1263 G HA3 -0.178 3.782 3.960 0.000 0.000 0.220 1263 G C 1.408 175.944 174.900 -0.607 0.000 1.125 1263 G CA 1.201 45.665 45.100 -1.060 0.000 0.755 1263 G HN 0.518 nan 8.290 nan 0.000 0.565 1264 L N -0.263 120.727 121.223 -0.388 0.000 2.095 1264 L HA 0.130 4.470 4.340 0.000 0.000 0.204 1264 L C 2.687 179.404 176.870 -0.254 0.000 1.080 1264 L CA 1.817 56.471 54.840 -0.310 0.000 0.759 1264 L CB -0.539 41.320 42.059 -0.333 0.000 0.914 1264 L HN 0.271 nan 8.230 nan 0.000 0.439 1265 Q N -1.113 118.552 119.800 -0.225 0.000 2.123 1265 Q HA -0.106 4.234 4.340 0.000 0.000 0.199 1265 Q C 2.117 178.101 176.000 -0.026 0.000 0.966 1265 Q CA 1.409 57.175 55.803 -0.060 0.000 0.845 1265 Q CB -0.143 28.634 28.738 0.065 0.000 0.907 1265 Q HN 0.492 nan 8.270 nan 0.000 0.439 1266 M N -0.149 119.367 119.600 -0.140 0.000 2.229 1266 M HA -0.088 4.392 4.480 0.000 0.000 0.264 1266 M C 2.212 178.463 176.300 -0.082 0.000 1.063 1266 M CA 1.078 56.322 55.300 -0.094 0.000 1.114 1266 M CB -0.701 31.783 32.600 -0.194 0.000 1.387 1266 M HN 0.212 nan 8.290 nan 0.000 0.420 1267 A N 0.144 122.877 122.820 -0.144 0.000 1.898 1267 A HA -0.072 4.248 4.320 0.000 0.000 0.216 1267 A C 2.075 179.621 177.584 -0.063 0.000 1.181 1267 A CA 1.102 53.075 52.037 -0.107 0.000 0.620 1267 A CB -0.696 18.223 19.000 -0.136 0.000 0.819 1267 A HN 0.479 nan 8.150 nan 0.000 0.442 1268 L N -0.892 120.305 121.223 -0.043 0.000 2.591 1268 L HA 0.032 4.372 4.340 0.000 0.000 0.228 1268 L C 0.090 176.966 176.870 0.010 0.000 1.133 1268 L CA 0.179 55.010 54.840 -0.016 0.000 0.880 1268 L CB -0.220 41.872 42.059 0.054 0.000 1.033 1268 L HN 0.329 nan 8.230 nan 0.000 0.450 1269 D N 0.582 120.996 120.400 0.023 0.000 2.705 1269 D HA -0.137 4.503 4.640 0.000 0.000 0.240 1269 D C 0.429 176.777 176.300 0.081 0.000 1.137 1269 D CA 0.989 55.020 54.000 0.051 0.000 0.677 1269 D CB -0.528 40.289 40.800 0.028 0.000 1.049 1269 D HN 0.262 nan 8.370 nan 0.000 0.427 1270 V N -1.163 118.823 119.914 0.119 0.000 3.355 1270 V HA 0.287 4.407 4.120 0.000 0.000 0.330 1270 V C 0.157 176.363 176.094 0.186 0.000 1.479 1270 V CA -0.687 61.693 62.300 0.134 0.000 1.150 1270 V CB -0.128 31.778 31.823 0.138 0.000 1.044 1270 V HN 0.169 nan 8.190 nan 0.000 0.501 1271 Y N 4.192 124.522 120.300 0.050 0.000 2.442 1271 Y HA 0.406 4.956 4.550 0.000 0.000 0.330 1271 Y C 1.231 177.171 175.900 0.066 0.000 1.129 1271 Y CA 0.074 58.210 58.100 0.059 0.000 1.365 1271 Y CB 1.121 39.608 38.460 0.045 0.000 1.233 1271 Y HN 0.597 nan 8.280 nan 0.000 0.529 1272 N N 2.997 121.473 118.700 -0.374 0.000 2.322 1272 N HA 0.146 4.886 4.740 0.000 0.000 0.216 1272 N C 1.210 176.357 175.510 -0.606 0.000 1.144 1272 N CA 0.378 53.209 53.050 -0.366 0.000 0.830 1272 N CB -0.014 38.359 38.487 -0.189 0.000 1.034 1272 N HN 0.938 nan 8.380 nan 0.000 0.484 1273 G N -0.513 107.575 108.800 -1.186 0.000 2.205 1273 G HA2 -0.308 3.652 3.960 0.000 0.000 0.269 1273 G HA3 -0.308 3.652 3.960 0.000 0.000 0.269 1273 G C -0.166 174.435 174.900 -0.500 0.000 0.977 1273 G CA 0.924 45.582 45.100 -0.736 0.000 0.652 1273 G HN 0.401 nan 8.290 nan 0.000 0.539 1274 L N 0.083 120.994 121.223 -0.521 0.000 2.352 1274 L HA 0.582 4.922 4.340 0.000 0.000 0.269 1274 L C 1.073 177.902 176.870 -0.068 0.000 1.034 1274 L CA -1.269 53.430 54.840 -0.235 0.000 0.806 1274 L CB 1.221 43.162 42.059 -0.198 0.000 1.244 1274 L HN -0.044 nan 8.230 nan 0.000 0.447 1275 L N 2.619 123.805 121.223 -0.063 0.000 2.418 1275 L HA 0.174 4.514 4.340 0.000 0.000 0.274 1275 L C -2.031 174.876 176.870 0.062 0.000 1.135 1275 L CA -1.705 53.134 54.840 -0.002 0.000 0.870 1275 L CB -0.053 41.955 42.059 -0.085 0.000 1.154 1275 L HN 0.251 nan 8.230 nan 0.000 0.462 1276 P HA 0.055 nan 4.420 nan 0.000 0.260 1276 P C -2.289 175.053 177.300 0.070 0.000 1.207 1276 P CA -0.742 62.488 63.100 0.216 0.000 0.780 1276 P CB -0.073 31.790 31.700 0.271 0.000 0.789 1277 P HA 0.032 nan 4.420 nan 0.000 0.274 1277 P C -0.457 176.847 177.300 0.006 0.000 1.237 1277 P CA -0.269 62.803 63.100 -0.047 0.000 0.793 1277 P CB 0.427 32.127 31.700 -0.000 0.000 0.977 1278 Y N 0.474 120.816 120.300 0.069 0.000 2.904 1278 Y HA 0.088 4.638 4.550 0.000 0.000 0.336 1278 Y C 1.959 177.857 175.900 -0.004 0.000 1.263 1278 Y CA 1.602 59.729 58.100 0.045 0.000 1.547 1278 Y CB -0.920 37.600 38.460 0.100 0.000 1.272 1278 Y HN 0.707 nan 8.280 nan 0.000 0.596 1279 A N 1.120 124.006 122.820 0.110 0.000 3.132 1279 A HA -0.270 4.050 4.320 0.000 0.000 0.266 1279 A C 0.926 178.516 177.584 0.009 0.000 1.216 1279 A CA 0.803 52.737 52.037 -0.171 0.000 0.985 1279 A CB -2.390 16.397 19.000 -0.354 0.000 1.102 1279 A HN 1.088 nan 8.150 nan 0.000 0.833 1280 S N -1.098 114.688 115.700 0.143 0.000 2.549 1280 S HA 0.415 4.885 4.470 0.000 0.000 0.286 1280 S C 0.169 174.996 174.600 0.378 0.000 1.314 1280 S CA 0.089 58.437 58.200 0.247 0.000 1.062 1280 S CB 1.171 64.564 63.200 0.321 0.000 0.865 1280 S HN 1.675 nan 8.310 nan 0.000 0.498 1281 C N 3.596 123.146 119.300 0.417 0.000 2.455 1281 C HA 0.610 5.070 4.460 0.000 0.000 0.320 1281 C C -0.524 174.747 174.990 0.468 0.000 1.226 1281 C CA -0.685 58.605 59.018 0.454 0.000 1.569 1281 C CB 0.450 28.433 27.740 0.404 0.000 2.200 1281 C HN 1.137 nan 8.230 nan 0.000 0.491 1282 H N 5.792 125.001 119.070 0.232 0.000 2.673 1282 H HA 0.611 5.167 4.556 0.000 0.000 0.293 1282 H C -0.701 174.722 175.328 0.158 0.000 1.065 1282 H CA -0.567 55.548 56.048 0.113 0.000 1.236 1282 H CB 0.471 30.183 29.762 -0.084 0.000 1.389 1282 H HN 0.729 nan 8.280 nan 0.000 0.481 1283 L N 3.567 124.894 121.223 0.173 0.000 2.295 1283 L HA 0.511 4.851 4.340 0.000 0.000 0.285 1283 L C -0.136 176.835 176.870 0.169 0.000 1.035 1283 L CA -0.973 54.000 54.840 0.223 0.000 0.806 1283 L CB 1.735 43.964 42.059 0.283 0.000 1.214 1283 L HN 0.560 nan 8.230 nan 0.000 0.426 1284 T N 0.900 115.555 114.554 0.167 0.000 2.892 1284 T HA 0.397 4.748 4.350 0.000 0.000 0.311 1284 T C -0.432 174.285 174.700 0.029 0.000 1.033 1284 T CA -0.613 61.559 62.100 0.121 0.000 0.991 1284 T CB 0.782 69.748 68.868 0.163 0.000 0.981 1284 T HN 0.836 nan 8.240 nan 0.000 0.457 1285 E N 3.576 123.797 120.200 0.035 0.000 2.222 1285 E HA 0.594 4.944 4.350 0.000 0.000 0.272 1285 E C -1.048 175.461 176.600 -0.151 0.000 0.982 1285 E CA -1.242 55.059 56.400 -0.164 0.000 0.842 1285 E CB 2.025 31.561 29.700 -0.274 0.000 1.144 1285 E HN 0.421 nan 8.360 nan 0.000 0.397 1286 L N 2.564 123.652 121.223 -0.225 0.000 2.298 1286 L HA 0.340 4.681 4.340 0.000 0.000 0.284 1286 L C -1.658 175.156 176.870 -0.093 0.000 1.013 1286 L CA -0.485 54.339 54.840 -0.028 0.000 0.824 1286 L CB 0.348 42.479 42.059 0.120 0.000 1.221 1286 L HN 0.474 nan 8.230 nan 0.000 0.418 1287 Y N 4.255 124.728 120.300 0.288 0.000 2.419 1287 Y HA 0.505 5.056 4.550 0.000 0.000 0.328 1287 Y C -0.597 175.575 175.900 0.453 0.000 1.162 1287 Y CA -0.259 58.036 58.100 0.326 0.000 1.174 1287 Y CB 1.718 40.334 38.460 0.261 0.000 1.228 1287 Y HN 0.518 nan 8.280 nan 0.000 0.473 1288 F N 2.592 122.753 119.950 0.350 0.000 2.493 1288 F HA 0.586 5.113 4.527 0.000 0.000 0.329 1288 F C -0.971 174.885 175.800 0.092 0.000 1.126 1288 F CA -0.596 57.419 58.000 0.026 0.000 0.937 1288 F CB 1.250 40.198 39.000 -0.086 0.000 1.146 1288 F HN 0.571 nan 8.300 nan 0.000 0.442 1289 E N 5.201 125.026 120.200 -0.625 0.000 2.304 1289 E HA 0.284 4.634 4.350 0.000 0.000 0.277 1289 E C -0.884 175.397 176.600 -0.533 0.000 0.898 1289 E CA -0.701 55.446 56.400 -0.421 0.000 0.764 1289 E CB 1.123 30.812 29.700 -0.019 0.000 1.216 1289 E HN 0.610 nan 8.360 nan 0.000 0.419 1290 K N 2.449 122.571 120.400 -0.464 0.000 3.035 1290 K HA -0.254 4.066 4.320 0.000 0.000 0.262 1290 K C 0.529 176.908 176.600 -0.368 0.000 1.024 1290 K CA 1.116 57.228 56.287 -0.291 0.000 0.748 1290 K CB -1.836 30.586 32.500 -0.130 0.000 1.247 1290 K HN 1.115 nan 8.250 nan 0.000 0.482 1291 G N -0.343 108.010 108.800 -0.745 0.000 2.148 1291 G HA2 -0.325 3.635 3.960 0.000 0.000 0.254 1291 G HA3 -0.325 3.635 3.960 0.000 0.000 0.254 1291 G C -0.041 174.615 174.900 -0.406 0.000 0.981 1291 G CA 0.869 45.745 45.100 -0.374 0.000 0.670 1291 G HN 0.487 nan 8.290 nan 0.000 0.528 1292 E N -1.322 118.475 120.200 -0.672 0.000 2.281 1292 E HA 0.718 5.068 4.350 0.000 0.000 0.262 1292 E C -1.094 175.022 176.600 -0.807 0.000 0.933 1292 E CA -0.976 55.086 56.400 -0.564 0.000 0.809 1292 E CB 1.232 30.658 29.700 -0.458 0.000 1.242 1292 E HN 0.183 nan 8.360 nan 0.000 0.418 1293 Y N 0.547 120.521 120.300 -0.543 0.000 2.409 1293 Y HA 0.451 5.001 4.550 0.000 0.000 0.343 1293 Y C -0.864 174.634 175.900 -0.670 0.000 0.973 1293 Y CA -0.615 57.275 58.100 -0.351 0.000 1.064 1293 Y CB 1.052 39.465 38.460 -0.078 0.000 1.207 1293 Y HN 0.354 nan 8.280 nan 0.000 0.452 1294 F N 1.167 121.279 119.950 0.269 0.000 2.577 1294 F HA 0.731 5.259 4.527 0.000 0.000 0.318 1294 F C -0.716 175.190 175.800 0.177 0.000 1.065 1294 F CA -1.372 56.743 58.000 0.192 0.000 0.929 1294 F CB 1.593 40.689 39.000 0.159 0.000 1.237 1294 F HN -0.006 nan 8.300 nan 0.000 0.468 1295 V N 1.568 121.639 119.914 0.262 0.000 2.378 1295 V HA 0.386 4.506 4.120 0.000 0.000 0.288 1295 V C -0.637 175.544 176.094 0.145 0.000 1.016 1295 V CA -0.800 61.542 62.300 0.070 0.000 0.840 1295 V CB 1.296 32.923 31.823 -0.326 0.000 0.994 1295 V HN 0.716 nan 8.190 nan 0.000 0.431 1296 E N 5.424 125.739 120.200 0.191 0.000 2.176 1296 E HA 0.632 4.982 4.350 0.000 0.000 0.267 1296 E C -1.025 175.584 176.600 0.015 0.000 0.893 1296 E CA -0.595 55.884 56.400 0.131 0.000 0.761 1296 E CB 2.307 32.222 29.700 0.358 0.000 1.133 1296 E HN 0.579 nan 8.360 nan 0.000 0.409 1297 M N 2.655 122.125 119.600 -0.217 0.000 2.436 1297 M HA 0.498 4.978 4.480 0.000 0.000 0.331 1297 M C -1.142 174.829 176.300 -0.548 0.000 1.135 1297 M CA -0.707 54.459 55.300 -0.225 0.000 0.987 1297 M CB 1.164 33.706 32.600 -0.096 0.000 1.687 1297 M HN 0.507 nan 8.290 nan 0.000 0.445 1298 Y N 0.227 120.501 120.300 -0.044 0.000 2.615 1298 Y HA 0.530 5.081 4.550 0.000 0.000 0.341 1298 Y C -1.221 174.707 175.900 0.047 0.000 1.089 1298 Y CA -0.883 57.242 58.100 0.043 0.000 1.049 1298 Y CB 1.759 40.270 38.460 0.085 0.000 1.296 1298 Y HN 0.486 nan 8.280 nan 0.000 0.470 1299 Y N 2.107 122.523 120.300 0.193 0.000 2.373 1299 Y HA 0.435 4.986 4.550 0.000 0.000 0.327 1299 Y C -0.847 175.183 175.900 0.218 0.000 1.036 1299 Y CA -2.027 56.169 58.100 0.160 0.000 1.265 1299 Y CB 1.142 39.690 38.460 0.145 0.000 1.108 1299 Y HN 0.703 nan 8.280 nan 0.000 0.471 1300 R N 4.768 125.501 120.500 0.389 0.000 2.308 1300 R HA 0.215 4.555 4.340 0.000 0.000 0.325 1300 R C 0.135 176.467 176.300 0.053 0.000 1.161 1300 R CA 0.173 56.342 56.100 0.114 0.000 1.022 1300 R CB -0.030 30.261 30.300 -0.016 0.000 1.091 1300 R HN 0.689 nan 8.270 nan 0.000 0.497 1301 N N 2.868 121.505 118.700 -0.104 0.000 2.200 1301 N HA 0.009 4.749 4.740 0.000 0.000 0.224 1301 N C -1.373 174.099 175.510 -0.065 0.000 1.179 1301 N CA -0.415 52.502 53.050 -0.221 0.000 0.877 1301 N CB 0.427 38.502 38.487 -0.686 0.000 1.072 1301 N HN 0.716 nan 8.380 nan 0.000 0.519 1302 E N -2.003 118.197 120.200 0.001 0.000 2.451 1302 E HA 0.194 4.545 4.350 0.000 0.000 0.295 1302 E C -0.775 175.813 176.600 -0.020 0.000 0.966 1302 E CA -0.702 55.711 56.400 0.022 0.000 0.808 1302 E CB 0.352 30.106 29.700 0.089 0.000 1.242 1302 E HN -0.096 nan 8.360 nan 0.000 0.412 1303 T N 0.186 114.720 114.554 -0.034 0.000 2.833 1303 T HA -0.195 4.155 4.350 0.000 0.000 0.269 1303 T C 1.170 175.848 174.700 -0.037 0.000 1.054 1303 T CA 1.355 63.415 62.100 -0.066 0.000 1.135 1303 T CB -0.210 68.637 68.868 -0.035 0.000 0.869 1303 T HN 0.589 nan 8.240 nan 0.000 0.466 1304 Q N 2.111 121.917 119.800 0.011 0.000 2.380 1304 Q HA 0.126 4.467 4.340 0.000 0.000 0.254 1304 Q C -0.272 175.790 176.000 0.103 0.000 0.927 1304 Q CA 0.310 56.135 55.803 0.037 0.000 0.950 1304 Q CB -0.796 27.963 28.738 0.035 0.000 1.206 1304 Q HN 0.761 nan 8.270 nan 0.000 0.414 1305 H N -0.062 118.947 119.070 -0.102 0.000 2.869 1305 H HA -0.019 4.537 4.556 0.000 0.000 0.265 1305 H C -1.134 174.050 175.328 -0.240 0.000 1.227 1305 H CA -0.367 55.580 56.048 -0.168 0.000 1.677 1305 H CB 1.019 30.661 29.762 -0.200 0.000 1.927 1305 H HN 0.442 nan 8.280 nan 0.000 0.495 1306 E N 4.769 124.540 120.200 -0.715 0.000 2.418 1306 E HA 0.144 4.494 4.350 0.000 0.000 0.261 1306 E C -2.434 173.742 176.600 -0.706 0.000 1.070 1306 E CA -1.706 54.344 56.400 -0.583 0.000 0.931 1306 E CB 0.419 29.855 29.700 -0.439 0.000 0.954 1306 E HN 0.255 nan 8.360 nan 0.000 0.439 1307 P HA -0.102 nan 4.420 nan 0.000 0.264 1307 P C -0.986 176.277 177.300 -0.062 0.000 1.183 1307 P CA 0.628 63.651 63.100 -0.128 0.000 0.763 1307 P CB -0.010 31.703 31.700 0.022 0.000 0.807 1308 Y N 4.168 124.524 120.300 0.094 0.000 2.393 1308 Y HA 0.204 4.754 4.550 0.000 0.000 0.338 1308 Y C -1.327 174.702 175.900 0.214 0.000 1.029 1308 Y CA -2.446 55.745 58.100 0.151 0.000 1.239 1308 Y CB -0.152 38.386 38.460 0.130 0.000 1.170 1308 Y HN 0.286 nan 8.280 nan 0.000 0.515 1309 P HA 0.111 nan 4.420 nan 0.000 0.276 1309 P C -0.507 176.802 177.300 0.016 0.000 1.253 1309 P CA 0.121 63.246 63.100 0.042 0.000 0.766 1309 P CB 0.806 32.512 31.700 0.010 0.000 0.845 1310 L N 3.549 124.742 121.223 -0.049 0.000 2.468 1310 L HA 0.524 4.864 4.340 0.000 0.000 0.254 1310 L C 0.980 177.839 176.870 -0.019 0.000 1.171 1310 L CA -0.558 54.291 54.840 0.016 0.000 0.809 1310 L CB 0.421 42.498 42.059 0.030 0.000 1.155 1310 L HN 0.361 nan 8.230 nan 0.000 0.473 1311 M N 2.600 122.220 119.600 0.033 0.000 2.164 1311 M HA 0.264 4.744 4.480 0.000 0.000 0.260 1311 M C -1.490 174.848 176.300 0.063 0.000 0.974 1311 M CA -0.944 54.380 55.300 0.039 0.000 1.020 1311 M CB 1.576 34.196 32.600 0.032 0.000 1.903 1311 M HN 0.353 nan 8.290 nan 0.000 0.469 1312 L N 8.488 129.764 121.223 0.089 0.000 2.640 1312 L HA 0.187 4.527 4.340 0.000 0.000 0.280 1312 L C -1.917 174.980 176.870 0.045 0.000 1.229 1312 L CA -0.078 54.805 54.840 0.073 0.000 0.919 1312 L CB 0.152 42.264 42.059 0.089 0.000 1.168 1312 L HN 0.432 nan 8.230 nan 0.000 0.496 1313 P HA 0.177 nan 4.420 nan 0.000 0.266 1313 P C 0.514 177.822 177.300 0.014 0.000 1.215 1313 P CA 0.657 63.771 63.100 0.023 0.000 0.763 1313 P CB 0.696 32.408 31.700 0.020 0.000 0.806 1314 G N 1.142 109.954 108.800 0.021 0.000 2.138 1314 G HA2 -0.147 3.813 3.960 0.000 0.000 0.193 1314 G HA3 -0.147 3.813 3.960 0.000 0.000 0.193 1314 G C -0.151 174.768 174.900 0.032 0.000 0.998 1314 G CA -0.169 44.943 45.100 0.019 0.000 0.668 1314 G HN 0.844 nan 8.290 nan 0.000 0.516 1315 c N -0.836 117.791 118.600 0.045 0.000 3.314 1315 c HA 0.849 5.420 4.570 0.000 0.000 0.344 1315 c C 0.796 174.926 174.090 0.066 0.000 1.461 1315 c CA 0.490 56.859 56.329 0.067 0.000 1.249 1315 c CB 1.124 43.692 42.510 0.096 0.000 1.632 1315 c HN 1.394 nan 8.230 nan 0.000 0.452 1316 S N 1.010 116.757 115.700 0.078 0.000 2.652 1316 S HA 0.531 5.001 4.470 0.000 0.000 0.270 1316 S C -1.835 172.801 174.600 0.060 0.000 1.243 1316 S CA -0.579 57.657 58.200 0.059 0.000 0.999 1316 S CB 1.242 64.473 63.200 0.052 0.000 0.973 1316 S HN 0.615 nan 8.310 nan 0.000 0.544 1317 P HA 0.008 nan 4.420 nan 0.000 0.219 1317 P C 0.208 177.514 177.300 0.011 0.000 1.146 1317 P CA 0.867 63.966 63.100 -0.001 0.000 0.808 1317 P CB 0.094 31.781 31.700 -0.022 0.000 0.779 1318 S N -0.684 115.035 115.700 0.031 0.000 2.457 1318 S HA 0.289 4.759 4.470 0.000 0.000 0.216 1318 S C -0.339 174.379 174.600 0.196 0.000 1.392 1318 S CA -0.732 57.508 58.200 0.066 0.000 1.102 1318 S CB -1.001 62.140 63.200 -0.099 0.000 1.114 1318 S HN 0.016 nan 8.310 nan 0.000 0.484 1319 c N 6.173 124.921 118.600 0.247 0.000 2.514 1319 c HA 0.524 5.095 4.570 0.000 0.000 0.392 1319 c C -2.387 171.914 174.090 0.352 0.000 1.294 1319 c CA -1.748 54.757 56.329 0.293 0.000 1.957 1319 c CB -0.034 42.662 42.510 0.311 0.000 2.541 1319 c HN 0.559 nan 8.230 nan 0.000 0.569 1320 P HA 0.059 nan 4.420 nan 0.000 0.271 1320 P C 0.750 178.108 177.300 0.097 0.000 1.226 1320 P CA -0.102 63.055 63.100 0.095 0.000 0.765 1320 P CB 0.443 32.180 31.700 0.061 0.000 0.835 1321 L N 4.679 125.918 121.223 0.025 0.000 2.054 1321 L HA -0.301 4.039 4.340 0.000 0.000 0.220 1321 L C 1.781 178.727 176.870 0.126 0.000 1.081 1321 L CA 2.214 57.094 54.840 0.067 0.000 0.780 1321 L CB -1.228 40.838 42.059 0.012 0.000 0.893 1321 L HN 0.340 nan 8.230 nan 0.000 0.438 1322 E N -0.874 119.367 120.200 0.068 0.000 2.049 1322 E HA -0.246 4.104 4.350 0.000 0.000 0.198 1322 E C 2.410 179.067 176.600 0.095 0.000 1.007 1322 E CA 1.784 58.224 56.400 0.066 0.000 0.809 1322 E CB -0.346 29.374 29.700 0.033 0.000 0.749 1322 E HN 0.411 nan 8.360 nan 0.000 0.450 1323 R N -0.386 120.179 120.500 0.109 0.000 2.062 1323 R HA -0.124 4.216 4.340 0.000 0.000 0.231 1323 R C 2.315 178.695 176.300 0.133 0.000 1.136 1323 R CA 1.289 57.453 56.100 0.105 0.000 0.948 1323 R CB -0.496 29.869 30.300 0.109 0.000 0.845 1323 R HN 0.238 nan 8.270 nan 0.000 0.430 1324 F N 1.368 121.347 119.950 0.049 0.000 2.063 1324 F HA -0.357 4.170 4.527 0.000 0.000 0.298 1324 F C 2.108 177.932 175.800 0.038 0.000 1.105 1324 F CA 1.979 60.011 58.000 0.054 0.000 1.215 1324 F CB -0.607 38.435 39.000 0.070 0.000 0.972 1324 F HN 0.131 nan 8.300 nan 0.000 0.483 1325 A N 0.687 123.673 122.820 0.278 0.000 1.841 1325 A HA -0.310 4.011 4.320 0.000 0.000 0.216 1325 A C 2.146 179.728 177.584 -0.003 0.000 1.199 1325 A CA 2.301 54.423 52.037 0.141 0.000 0.621 1325 A CB -1.469 17.616 19.000 0.142 0.000 0.835 1325 A HN 0.699 nan 8.150 nan 0.000 0.445 1326 E N -0.009 120.199 120.200 0.014 0.000 2.097 1326 E HA -0.221 4.129 4.350 0.000 0.000 0.196 1326 E C 1.941 178.513 176.600 -0.047 0.000 1.000 1326 E CA 1.551 57.945 56.400 -0.010 0.000 0.804 1326 E CB -0.568 29.136 29.700 0.007 0.000 0.740 1326 E HN 0.580 nan 8.360 nan 0.000 0.454 1327 L N 0.649 121.827 121.223 -0.075 0.000 1.976 1327 L HA -0.128 4.212 4.340 0.000 0.000 0.209 1327 L C 2.617 179.390 176.870 -0.162 0.000 1.071 1327 L CA 1.179 55.953 54.840 -0.110 0.000 0.746 1327 L CB -0.319 41.663 42.059 -0.128 0.000 0.890 1327 L HN 0.169 nan 8.230 nan 0.000 0.432 1328 V N 0.284 120.026 119.914 -0.287 0.000 3.592 1328 V HA -0.032 4.089 4.120 0.000 0.000 0.272 1328 V C 2.067 178.075 176.094 -0.144 0.000 1.228 1328 V CA 1.078 63.209 62.300 -0.282 0.000 1.173 1328 V CB -0.289 31.221 31.823 -0.521 0.000 0.873 1328 V HN 0.518 nan 8.190 nan 0.000 0.476 1329 G N 1.631 110.373 108.800 -0.097 0.000 2.440 1329 G HA2 -0.149 3.811 3.960 0.000 0.000 0.218 1329 G HA3 -0.149 3.811 3.960 0.000 0.000 0.218 1329 G C 0.073 174.954 174.900 -0.033 0.000 1.154 1329 G CA 0.985 46.057 45.100 -0.047 0.000 0.767 1329 G HN 0.635 nan 8.290 nan 0.000 0.552 1330 P HA 0.079 nan 4.420 nan 0.000 0.242 1330 P C 1.216 178.506 177.300 -0.017 0.000 1.197 1330 P CA 0.489 63.575 63.100 -0.022 0.000 0.765 1330 P CB 0.300 31.986 31.700 -0.023 0.000 0.936 1331 V N -1.139 118.760 119.914 -0.025 0.000 3.263 1331 V HA 0.068 4.188 4.120 0.000 0.000 0.248 1331 V C 1.344 177.443 176.094 0.007 0.000 1.145 1331 V CA 0.175 62.466 62.300 -0.014 0.000 1.107 1331 V CB -0.392 31.410 31.823 -0.036 0.000 0.797 1331 V HN -0.088 nan 8.190 nan 0.000 0.467 1332 I N 3.917 124.490 120.570 0.005 0.000 2.517 1332 I HA 0.184 4.354 4.170 0.000 0.000 0.285 1332 I C -1.841 174.299 176.117 0.038 0.000 1.106 1332 I CA -1.403 59.911 61.300 0.024 0.000 1.402 1332 I CB 0.517 38.527 38.000 0.017 0.000 1.399 1332 I HN 0.162 nan 8.210 nan 0.000 0.535 1333 P HA 0.115 nan 4.420 nan 0.000 0.276 1333 P C -0.536 176.804 177.300 0.067 0.000 1.244 1333 P CA -0.410 62.742 63.100 0.088 0.000 0.801 1333 P CB 1.023 32.831 31.700 0.179 0.000 1.006 1334 Q N 0.763 120.595 119.800 0.053 0.000 2.200 1334 Q HA 0.023 4.363 4.340 0.000 0.000 0.197 1334 Q C 0.157 176.186 176.000 0.048 0.000 0.953 1334 Q CA 1.365 57.190 55.803 0.037 0.000 0.851 1334 Q CB -0.035 28.715 28.738 0.020 0.000 0.938 1334 Q HN 0.517 nan 8.270 nan 0.000 0.488 1335 D N -0.985 119.452 120.400 0.062 0.000 2.846 1335 D HA 0.066 4.706 4.640 0.000 0.000 0.279 1335 D C 0.140 176.508 176.300 0.112 0.000 1.222 1335 D CA -0.492 53.554 54.000 0.076 0.000 0.769 1335 D CB -0.355 40.467 40.800 0.036 0.000 1.299 1335 D HN 0.038 nan 8.370 nan 0.000 0.537 1336 W N 2.451 123.726 121.300 -0.042 0.000 2.244 1336 W HA -0.391 4.269 4.660 0.000 0.000 0.336 1336 W C 2.067 178.555 176.519 -0.051 0.000 1.352 1336 W CA 2.673 59.987 57.345 -0.052 0.000 1.343 1336 W CB -0.608 28.799 29.460 -0.089 0.000 1.111 1336 W HN 0.300 nan 8.180 nan 0.000 0.481 1337 S N -0.785 115.033 115.700 0.196 0.000 2.404 1337 S HA -0.350 4.120 4.470 0.000 0.000 0.230 1337 S C 1.913 176.445 174.600 -0.113 0.000 1.046 1337 S CA 3.363 61.586 58.200 0.039 0.000 1.135 1337 S CB -1.166 62.091 63.200 0.095 0.000 1.056 1337 S HN 0.566 nan 8.310 nan 0.000 0.426 1338 T N 0.147 114.666 114.554 -0.058 0.000 2.788 1338 T HA -0.010 4.341 4.350 0.000 0.000 0.268 1338 T C 1.483 176.115 174.700 -0.114 0.000 1.044 1338 T CA 1.320 63.377 62.100 -0.072 0.000 1.139 1338 T CB -0.612 68.235 68.868 -0.036 0.000 0.867 1338 T HN 0.502 nan 8.240 nan 0.000 0.454 1339 E N 0.080 120.201 120.200 -0.132 0.000 2.333 1339 E HA -0.062 4.288 4.350 0.000 0.000 0.198 1339 E C 1.966 178.418 176.600 -0.248 0.000 1.007 1339 E CA 0.801 57.109 56.400 -0.154 0.000 0.845 1339 E CB -0.323 29.303 29.700 -0.123 0.000 0.766 1339 E HN 0.586 nan 8.360 nan 0.000 0.507 1340 c N 0.262 118.639 118.600 -0.372 0.000 2.512 1340 c HA 0.145 4.715 4.570 0.000 0.000 0.276 1340 c C 1.257 175.210 174.090 -0.230 0.000 1.368 1340 c CA -0.403 55.670 56.329 -0.427 0.000 1.755 1340 c CB -0.346 41.716 42.510 -0.747 0.000 2.008 1340 c HN 0.318 nan 8.230 nan 0.000 0.511 1341 M N 1.143 120.639 119.600 -0.172 0.000 2.239 1341 M HA 0.295 4.775 4.480 0.000 0.000 0.348 1341 M C 0.264 176.516 176.300 -0.080 0.000 1.239 1341 M CA 1.518 56.755 55.300 -0.105 0.000 1.114 1341 M CB 0.368 32.920 32.600 -0.079 0.000 1.641 1341 M HN 0.351 nan 8.290 nan 0.000 0.453 1342 T N 0.000 114.518 114.554 -0.060 0.000 3.816 1342 T HA 0.000 4.350 4.350 0.000 0.000 0.228 1342 T CA 0.000 62.072 62.100 -0.046 0.000 1.349 1342 T CB 0.000 68.840 68.868 -0.047 0.000 0.612 1342 T HN 0.000 nan 8.240 nan 0.000 0.658