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 1nd5_1_B DATA FIRST_RESID 1000 DATA SEQUENCE KELKFVTLVF RHGDRSPIDT FPTDPIKESS WPQGFGQLTQ LGMEQHYELG DATA SEQUENCE EYIRKRYRKF LNESYKHEQV YIRSTDVDRT LMSAMTNLAA LFPPEGVSIW DATA SEQUENCE NPILLWQPIP VHTVPLSEDQ LLYLPFRNcP RQELESETLK SEEFQKRLHP DATA SEQUENCE YKDFIATLGK LSGLHGQDLF GIWSKVYDPL YCESVHNFTL PSWATEDTMT DATA SEQUENCE KLRELSELSL LSLYGIHKQK EKSRLQGGVL VNEILNHMKR ATQIPSYKKL DATA SEQUENCE IMYSAHDTTV SGLQMALDVY NGLLPPYASC HLTELYFEKG EYFVEMYYRN DATA SEQUENCE ETQHEPYPLM LPGcSPScPL ERFAELVGPV IPQDWSTEcM TT 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 1000 K HA 0.000 nan 4.320 nan 0.000 0.191 1000 K C 0.000 176.666 176.600 0.110 0.000 0.988 1000 K CA 0.000 56.261 56.287 -0.043 0.000 0.838 1000 K CB 0.000 32.426 32.500 -0.124 0.000 1.064 1001 E N 2.492 122.815 120.200 0.205 0.000 2.221 1001 E HA 0.379 4.729 4.350 0.000 0.000 0.268 1001 E C -1.171 175.605 176.600 0.292 0.000 0.933 1001 E CA -1.166 55.394 56.400 0.267 0.000 0.809 1001 E CB 1.895 31.771 29.700 0.294 0.000 1.190 1001 E HN 0.335 nan 8.360 nan 0.000 0.406 1002 L N 2.691 123.989 121.223 0.125 0.000 2.292 1002 L HA 0.217 4.557 4.340 0.000 0.000 0.284 1002 L C 0.351 177.176 176.870 -0.074 0.000 1.065 1002 L CA 0.311 54.959 54.840 -0.320 0.000 0.806 1002 L CB 0.639 42.264 42.059 -0.724 0.000 1.175 1002 L HN 0.430 nan 8.230 nan 0.000 0.431 1003 K N 4.014 124.399 120.400 -0.024 0.000 2.325 1003 K HA 0.266 4.586 4.320 0.000 0.000 0.203 1003 K C -0.377 176.500 176.600 0.462 0.000 1.128 1003 K CA 0.590 57.071 56.287 0.323 0.000 0.931 1003 K CB 0.332 33.036 32.500 0.340 0.000 1.125 1003 K HN 0.443 nan 8.250 nan 0.000 0.487 1004 F N 0.289 120.234 119.950 -0.010 0.000 2.603 1004 F HA 0.549 5.076 4.527 0.000 0.000 0.317 1004 F C -1.190 174.492 175.800 -0.196 0.000 1.066 1004 F CA -1.424 56.600 58.000 0.039 0.000 0.941 1004 F CB 1.764 40.778 39.000 0.024 0.000 1.291 1004 F HN -0.272 nan 8.300 nan 0.000 0.472 1005 V N 2.530 121.956 119.914 -0.814 0.000 3.087 1005 V HA 0.775 4.895 4.120 0.000 0.000 0.306 1005 V C -1.679 173.996 176.094 -0.699 0.000 1.187 1005 V CA -0.074 61.836 62.300 -0.650 0.000 0.999 1005 V CB 2.351 33.748 31.823 -0.710 0.000 1.049 1005 V HN 0.877 nan 8.190 nan 0.000 0.431 1006 T N 6.637 121.013 114.554 -0.296 0.000 3.143 1006 T HA 0.523 4.873 4.350 0.000 0.000 0.312 1006 T C -1.108 173.639 174.700 0.079 0.000 0.986 1006 T CA -0.245 61.797 62.100 -0.097 0.000 1.024 1006 T CB 0.762 69.669 68.868 0.066 0.000 1.030 1006 T HN 0.640 nan 8.240 nan 0.000 0.448 1007 L N 3.648 124.943 121.223 0.119 0.000 2.265 1007 L HA 0.677 5.017 4.340 0.000 0.000 0.289 1007 L C -0.318 176.636 176.870 0.140 0.000 1.033 1007 L CA -1.028 53.920 54.840 0.180 0.000 0.814 1007 L CB 1.460 43.668 42.059 0.247 0.000 1.203 1007 L HN 0.288 nan 8.230 nan 0.000 0.423 1008 V N 4.742 124.785 119.914 0.215 0.000 2.293 1008 V HA 0.398 4.518 4.120 0.000 0.000 0.275 1008 V C -0.290 175.924 176.094 0.200 0.000 1.021 1008 V CA -0.433 61.960 62.300 0.155 0.000 0.815 1008 V CB 0.556 32.497 31.823 0.197 0.000 1.025 1008 V HN 0.501 nan 8.190 nan 0.000 0.448 1009 F N 2.565 122.687 119.950 0.287 0.000 2.598 1009 F HA 0.794 5.321 4.527 0.000 0.000 0.327 1009 F C -0.271 175.668 175.800 0.231 0.000 1.057 1009 F CA -2.118 56.044 58.000 0.269 0.000 0.957 1009 F CB 1.232 40.396 39.000 0.274 0.000 1.278 1009 F HN 0.333 nan 8.300 nan 0.000 0.484 1010 R N 0.924 121.751 120.500 0.545 0.000 2.428 1010 R HA 0.319 4.659 4.340 0.000 0.000 0.294 1010 R C -0.257 176.255 176.300 0.353 0.000 1.000 1010 R CA -0.661 55.612 56.100 0.289 0.000 0.960 1010 R CB 0.598 30.967 30.300 0.116 0.000 1.076 1010 R HN 1.007 nan 8.270 nan 0.000 0.475 1011 H N 0.869 120.141 119.070 0.337 0.000 2.889 1011 H HA 0.206 4.762 4.556 0.000 0.000 0.383 1011 H C 0.421 175.925 175.328 0.293 0.000 1.433 1011 H CA 0.118 56.262 56.048 0.161 0.000 1.461 1011 H CB 0.097 29.879 29.762 0.032 0.000 1.475 1011 H HN 0.716 nan 8.280 nan 0.000 0.611 1012 G N -0.951 108.083 108.800 0.390 0.000 2.535 1012 G HA2 0.107 4.067 3.960 0.000 0.000 0.303 1012 G HA3 0.107 4.067 3.960 0.000 0.000 0.303 1012 G C -0.586 174.245 174.900 -0.116 0.000 1.237 1012 G CA -0.372 44.889 45.100 0.269 0.000 0.986 1012 G HN 0.961 nan 8.290 nan 0.000 0.494 1013 D N -0.024 120.072 120.400 -0.507 0.000 2.752 1013 D HA -0.038 4.602 4.640 0.000 0.000 0.225 1013 D C 0.566 176.547 176.300 -0.532 0.000 1.104 1013 D CA 0.732 54.105 54.000 -1.044 0.000 0.832 1013 D CB 0.400 41.032 40.800 -0.280 0.000 1.161 1013 D HN 0.529 nan 8.370 nan 0.000 0.505 1014 R N 0.697 120.868 120.500 -0.547 0.000 2.888 1014 R HA 0.574 4.914 4.340 0.000 0.000 0.264 1014 R C -0.275 175.887 176.300 -0.231 0.000 1.045 1014 R CA -0.990 54.968 56.100 -0.236 0.000 0.962 1014 R CB 0.870 31.062 30.300 -0.180 0.000 1.210 1014 R HN 0.318 nan 8.270 nan 0.000 0.479 1015 S N 0.550 116.033 115.700 -0.362 0.000 2.655 1015 S HA 0.471 4.941 4.470 0.000 0.000 0.265 1015 S C -2.042 172.148 174.600 -0.683 0.000 1.240 1015 S CA -1.217 56.490 58.200 -0.821 0.000 0.986 1015 S CB 0.615 63.278 63.200 -0.896 0.000 0.985 1015 S HN 0.640 nan 8.310 nan 0.000 0.562 1016 P HA 0.182 nan 4.420 nan 0.000 0.270 1016 P C 0.326 177.117 177.300 -0.848 0.000 1.223 1016 P CA -0.290 62.354 63.100 -0.760 0.000 0.785 1016 P CB 0.466 31.655 31.700 -0.852 0.000 0.923 1017 I N -0.482 119.739 120.570 -0.583 0.000 2.876 1017 I HA 0.005 4.175 4.170 0.000 0.000 0.264 1017 I C 0.981 176.772 176.117 -0.544 0.000 1.204 1017 I CA 1.356 62.407 61.300 -0.414 0.000 1.485 1017 I CB -0.141 37.720 38.000 -0.232 0.000 1.103 1017 I HN 0.423 nan 8.210 nan 0.000 0.446 1018 D N -1.807 118.127 120.400 -0.777 0.000 2.827 1018 D HA 0.287 4.927 4.640 0.000 0.000 0.336 1018 D C -0.840 175.141 176.300 -0.531 0.000 1.374 1018 D CA -0.235 53.395 54.000 -0.617 0.000 0.794 1018 D CB 1.247 41.930 40.800 -0.195 0.000 1.364 1018 D HN -0.109 nan 8.370 nan 0.000 0.464 1019 T N -0.984 113.414 114.554 -0.262 0.000 2.718 1019 T HA 0.545 4.895 4.350 0.000 0.000 0.306 1019 T C -1.146 173.489 174.700 -0.109 0.000 1.485 1019 T CA -0.769 61.196 62.100 -0.225 0.000 0.997 1019 T CB -0.116 68.518 68.868 -0.390 0.000 1.504 1019 T HN 0.374 nan 8.240 nan 0.000 0.497 1020 F N 0.882 120.838 119.950 0.011 0.000 2.518 1020 F HA 0.498 5.025 4.527 0.000 0.000 0.359 1020 F C -1.806 174.018 175.800 0.040 0.000 1.118 1020 F CA -1.902 56.114 58.000 0.027 0.000 1.287 1020 F CB -0.778 38.263 39.000 0.068 0.000 1.132 1020 F HN 0.347 nan 8.300 nan 0.000 0.587 1021 P HA -0.214 nan 4.420 nan 0.000 0.217 1021 P C 1.567 178.951 177.300 0.140 0.000 1.162 1021 P CA 2.568 65.732 63.100 0.107 0.000 0.901 1021 P CB -0.119 31.630 31.700 0.082 0.000 0.793 1022 T N -1.299 113.449 114.554 0.323 0.000 2.849 1022 T HA -0.140 4.210 4.350 0.000 0.000 0.270 1022 T C 0.660 175.550 174.700 0.317 0.000 1.066 1022 T CA 0.869 63.182 62.100 0.355 0.000 1.130 1022 T CB -1.156 67.973 68.868 0.435 0.000 0.864 1022 T HN 0.153 nan 8.240 nan 0.000 0.481 1023 D N 1.418 121.829 120.400 0.018 0.000 2.520 1023 D HA -0.001 4.639 4.640 0.000 0.000 0.243 1023 D C -1.706 174.521 176.300 -0.122 0.000 1.160 1023 D CA -1.565 52.223 54.000 -0.354 0.000 0.877 1023 D CB 1.288 41.338 40.800 -1.249 0.000 1.150 1023 D HN 0.115 nan 8.370 nan 0.000 0.494 1024 P HA 0.061 nan 4.420 nan 0.000 0.225 1024 P C 0.295 177.543 177.300 -0.088 0.000 1.156 1024 P CA 0.536 63.620 63.100 -0.026 0.000 0.787 1024 P CB 0.210 31.918 31.700 0.013 0.000 0.802 1025 I N 0.450 120.930 120.570 -0.150 0.000 2.213 1025 I HA 0.053 4.223 4.170 0.000 0.000 0.295 1025 I C 0.533 176.619 176.117 -0.052 0.000 1.172 1025 I CA -0.264 60.904 61.300 -0.220 0.000 1.443 1025 I CB -0.488 37.261 38.000 -0.418 0.000 1.491 1025 I HN -0.108 nan 8.210 nan 0.000 0.652 1026 K N 3.079 123.457 120.400 -0.038 0.000 2.168 1026 K HA 0.047 4.367 4.320 0.000 0.000 0.258 1026 K C 1.212 177.810 176.600 -0.004 0.000 1.010 1026 K CA -0.314 55.979 56.287 0.009 0.000 0.929 1026 K CB 1.039 33.516 32.500 -0.039 0.000 0.998 1026 K HN 0.321 nan 8.250 nan 0.000 0.479 1027 E N 1.689 121.748 120.200 -0.236 0.000 2.332 1027 E HA -0.386 3.964 4.350 0.000 0.000 0.243 1027 E C 1.413 177.837 176.600 -0.293 0.000 1.088 1027 E CA 3.077 58.966 56.400 -0.851 0.000 1.048 1027 E CB -0.418 28.775 29.700 -0.845 0.000 0.911 1027 E HN 0.646 nan 8.360 nan 0.000 0.487 1028 S N -0.883 114.715 115.700 -0.169 0.000 2.488 1028 S HA -0.132 4.338 4.470 0.000 0.000 0.246 1028 S C 1.873 176.467 174.600 -0.010 0.000 0.992 1028 S CA 1.172 59.329 58.200 -0.072 0.000 0.963 1028 S CB -0.341 62.819 63.200 -0.067 0.000 0.754 1028 S HN 0.263 nan 8.310 nan 0.000 0.519 1029 S N 0.356 116.055 115.700 -0.001 0.000 2.603 1029 S HA 0.151 4.621 4.470 0.000 0.000 0.229 1029 S C -0.327 174.164 174.600 -0.182 0.000 0.972 1029 S CA 0.037 58.167 58.200 -0.118 0.000 0.935 1029 S CB -0.205 62.798 63.200 -0.328 0.000 0.769 1029 S HN 0.708 nan 8.310 nan 0.000 0.536 1030 W N 0.875 122.205 121.300 0.049 0.000 2.666 1030 W HA 0.415 5.075 4.660 0.000 0.000 0.334 1030 W C -1.963 174.579 176.519 0.037 0.000 1.051 1030 W CA -2.250 55.155 57.345 0.099 0.000 1.224 1030 W CB -0.012 29.514 29.460 0.111 0.000 1.405 1030 W HN -0.093 nan 8.180 nan 0.000 0.513 1031 P HA -0.276 nan 4.420 nan 0.000 0.212 1031 P C 0.745 178.109 177.300 0.108 0.000 1.174 1031 P CA 1.734 64.915 63.100 0.135 0.000 0.934 1031 P CB 0.273 32.049 31.700 0.127 0.000 0.791 1032 Q N -0.467 119.405 119.800 0.119 0.000 2.341 1032 Q HA 0.429 4.769 4.340 0.000 0.000 0.325 1032 Q C 0.437 176.470 176.000 0.054 0.000 0.920 1032 Q CA 0.126 55.968 55.803 0.064 0.000 1.065 1032 Q CB -0.557 28.206 28.738 0.042 0.000 1.218 1032 Q HN 0.330 nan 8.270 nan 0.000 0.434 1033 G N -0.187 108.649 108.800 0.060 0.000 2.598 1033 G HA2 -0.317 3.643 3.960 0.000 0.000 0.244 1033 G HA3 -0.317 3.643 3.960 0.000 0.000 0.244 1033 G C -0.412 174.515 174.900 0.045 0.000 1.302 1033 G CA -0.373 44.710 45.100 -0.028 0.000 0.903 1033 G HN 0.358 nan 8.290 nan 0.000 0.575 1034 F N 0.871 120.750 119.950 -0.118 0.000 2.380 1034 F HA 0.442 4.969 4.527 0.000 0.000 0.319 1034 F C 1.786 177.477 175.800 -0.183 0.000 1.113 1034 F CA 0.195 58.057 58.000 -0.230 0.000 1.056 1034 F CB 1.411 40.294 39.000 -0.196 0.000 1.289 1034 F HN 1.574 nan 8.300 nan 0.000 0.515 1035 G N 1.568 110.344 108.800 -0.041 0.000 2.225 1035 G HA2 -0.319 3.641 3.960 0.000 0.000 0.272 1035 G HA3 -0.319 3.641 3.960 0.000 0.000 0.272 1035 G C -0.265 174.577 174.900 -0.098 0.000 0.996 1035 G CA 0.086 45.135 45.100 -0.086 0.000 0.710 1035 G HN 0.464 nan 8.290 nan 0.000 0.522 1036 Q N -0.875 118.874 119.800 -0.085 0.000 2.241 1036 Q HA 0.713 5.053 4.340 0.000 0.000 0.254 1036 Q C 0.405 176.348 176.000 -0.094 0.000 0.917 1036 Q CA -0.917 54.844 55.803 -0.070 0.000 0.919 1036 Q CB 1.343 30.071 28.738 -0.016 0.000 1.237 1036 Q HN 0.346 nan 8.270 nan 0.000 0.434 1037 L N 2.028 123.195 121.223 -0.094 0.000 2.483 1037 L HA 0.315 4.655 4.340 0.000 0.000 0.275 1037 L C 0.170 177.024 176.870 -0.026 0.000 1.220 1037 L CA 0.798 55.588 54.840 -0.083 0.000 0.833 1037 L CB 0.585 42.602 42.059 -0.070 0.000 1.102 1037 L HN 0.870 nan 8.230 nan 0.000 0.490 1038 T N 0.111 114.667 114.554 0.003 0.000 2.905 1038 T HA 0.348 4.698 4.350 0.000 0.000 0.283 1038 T C 0.670 175.406 174.700 0.060 0.000 1.031 1038 T CA -0.571 61.573 62.100 0.073 0.000 1.002 1038 T CB 1.025 70.008 68.868 0.192 0.000 1.200 1038 T HN 0.614 nan 8.240 nan 0.000 0.560 1039 Q N -0.205 119.636 119.800 0.069 0.000 2.030 1039 Q HA -0.101 4.240 4.340 0.000 0.000 0.204 1039 Q C 2.120 178.139 176.000 0.032 0.000 0.986 1039 Q CA 1.257 57.076 55.803 0.027 0.000 0.843 1039 Q CB -0.831 27.915 28.738 0.013 0.000 0.904 1039 Q HN 0.637 nan 8.270 nan 0.000 0.420 1040 L N 1.197 122.453 121.223 0.054 0.000 2.043 1040 L HA -0.106 4.234 4.340 0.000 0.000 0.212 1040 L C 2.222 179.123 176.870 0.051 0.000 1.075 1040 L CA 2.405 57.270 54.840 0.041 0.000 0.752 1040 L CB -1.117 40.963 42.059 0.035 0.000 0.891 1040 L HN 0.254 nan 8.230 nan 0.000 0.432 1041 G N -0.762 108.065 108.800 0.045 0.000 2.440 1041 G HA2 -0.317 3.643 3.960 0.000 0.000 0.218 1041 G HA3 -0.317 3.643 3.960 0.000 0.000 0.218 1041 G C 1.514 176.457 174.900 0.071 0.000 1.154 1041 G CA 1.240 46.352 45.100 0.019 0.000 0.767 1041 G HN 0.469 nan 8.290 nan 0.000 0.552 1042 M N 0.074 119.707 119.600 0.055 0.000 2.200 1042 M HA 0.038 4.518 4.480 0.000 0.000 0.265 1042 M C 2.426 178.796 176.300 0.117 0.000 1.066 1042 M CA 1.193 56.537 55.300 0.073 0.000 1.127 1042 M CB -0.278 32.332 32.600 0.017 0.000 1.379 1042 M HN 0.243 nan 8.290 nan 0.000 0.420 1043 E N 0.267 120.514 120.200 0.079 0.000 2.153 1043 E HA -0.219 4.132 4.350 0.000 0.000 0.194 1043 E C 2.063 178.742 176.600 0.132 0.000 0.988 1043 E CA 1.062 57.524 56.400 0.102 0.000 0.811 1043 E CB -0.111 29.619 29.700 0.050 0.000 0.746 1043 E HN 0.569 nan 8.360 nan 0.000 0.466 1044 Q N -0.165 119.698 119.800 0.105 0.000 1.967 1044 Q HA -0.180 4.160 4.340 0.000 0.000 0.202 1044 Q C 1.978 177.996 176.000 0.030 0.000 0.985 1044 Q CA 1.502 57.349 55.803 0.072 0.000 0.839 1044 Q CB -0.129 28.668 28.738 0.097 0.000 0.906 1044 Q HN 0.343 nan 8.270 nan 0.000 0.423 1045 H N -1.446 117.630 119.070 0.010 0.000 2.491 1045 H HA -0.124 4.432 4.556 0.000 0.000 0.290 1045 H C 1.353 176.679 175.328 -0.003 0.000 1.050 1045 H CA 1.233 57.246 56.048 -0.058 0.000 1.309 1045 H CB 0.085 29.787 29.762 -0.101 0.000 1.392 1045 H HN 0.300 nan 8.280 nan 0.000 0.554 1046 Y N 0.883 121.216 120.300 0.055 0.000 2.314 1046 Y HA -0.126 4.425 4.550 0.000 0.000 0.293 1046 Y C 2.403 178.307 175.900 0.007 0.000 1.129 1046 Y CA 1.320 59.442 58.100 0.037 0.000 1.201 1046 Y CB 0.260 38.742 38.460 0.037 0.000 0.999 1046 Y HN 0.191 nan 8.280 nan 0.000 0.541 1047 E N 0.217 120.428 120.200 0.019 0.000 2.122 1047 E HA -0.147 4.203 4.350 0.000 0.000 0.190 1047 E C 2.262 178.809 176.600 -0.088 0.000 0.977 1047 E CA 0.590 56.959 56.400 -0.052 0.000 0.820 1047 E CB -0.297 29.409 29.700 0.010 0.000 0.770 1047 E HN 0.595 nan 8.360 nan 0.000 0.462 1048 L N 0.522 121.672 121.223 -0.122 0.000 1.989 1048 L HA -0.136 4.205 4.340 0.000 0.000 0.211 1048 L C 2.375 179.203 176.870 -0.070 0.000 1.071 1048 L CA 2.036 56.803 54.840 -0.122 0.000 0.749 1048 L CB -0.851 41.011 42.059 -0.329 0.000 0.890 1048 L HN 0.235 nan 8.230 nan 0.000 0.431 1049 G N -1.055 107.663 108.800 -0.138 0.000 2.432 1049 G HA2 -0.319 3.641 3.960 0.000 0.000 0.219 1049 G HA3 -0.319 3.641 3.960 0.000 0.000 0.219 1049 G C 1.399 176.182 174.900 -0.194 0.000 1.135 1049 G CA 0.773 45.787 45.100 -0.143 0.000 0.767 1049 G HN 0.521 nan 8.290 nan 0.000 0.550 1050 E N -1.088 118.974 120.200 -0.230 0.000 2.338 1050 E HA -0.096 4.254 4.350 0.000 0.000 0.197 1050 E C 1.777 178.315 176.600 -0.103 0.000 1.007 1050 E CA 0.397 56.666 56.400 -0.218 0.000 0.849 1050 E CB -0.108 29.437 29.700 -0.260 0.000 0.774 1050 E HN 0.626 nan 8.360 nan 0.000 0.506 1051 Y N -0.073 120.114 120.300 -0.188 0.000 2.343 1051 Y HA 0.104 4.654 4.550 0.000 0.000 0.294 1051 Y C 1.648 177.416 175.900 -0.220 0.000 1.122 1051 Y CA 0.717 58.713 58.100 -0.174 0.000 1.173 1051 Y CB -0.049 38.320 38.460 -0.152 0.000 1.077 1051 Y HN -0.049 nan 8.280 nan 0.000 0.542 1052 I N 0.463 120.816 120.570 -0.362 0.000 2.361 1052 I HA -0.290 3.880 4.170 0.000 0.000 0.251 1052 I C 2.676 178.513 176.117 -0.467 0.000 1.133 1052 I CA 1.390 62.391 61.300 -0.499 0.000 1.413 1052 I CB -0.350 37.562 38.000 -0.146 0.000 1.073 1052 I HN 0.205 nan 8.210 nan 0.000 0.424 1053 R N 1.331 121.637 120.500 -0.323 0.000 2.073 1053 R HA -0.149 4.192 4.340 0.000 0.000 0.229 1053 R C 2.202 178.368 176.300 -0.224 0.000 1.120 1053 R CA 1.304 57.258 56.100 -0.243 0.000 0.967 1053 R CB 0.059 30.221 30.300 -0.230 0.000 0.862 1053 R HN 0.310 nan 8.270 nan 0.000 0.436 1054 K N -0.105 120.122 120.400 -0.289 0.000 2.057 1054 K HA -0.141 4.179 4.320 0.000 0.000 0.206 1054 K C 2.185 178.586 176.600 -0.331 0.000 1.050 1054 K CA 1.197 57.340 56.287 -0.240 0.000 0.935 1054 K CB -0.204 32.184 32.500 -0.186 0.000 0.715 1054 K HN 0.087 nan 8.250 nan 0.000 0.439 1055 R N 0.246 120.349 120.500 -0.662 0.000 2.193 1055 R HA -0.134 4.206 4.340 0.000 0.000 0.229 1055 R C 0.628 176.637 176.300 -0.486 0.000 1.110 1055 R CA 1.412 57.065 56.100 -0.747 0.000 0.988 1055 R CB 0.112 29.648 30.300 -1.273 0.000 0.871 1055 R HN 0.349 nan 8.270 nan 0.000 0.458 1056 Y N -0.452 119.762 120.300 -0.144 0.000 2.682 1056 Y HA 0.167 4.717 4.550 0.000 0.000 0.251 1056 Y C 1.415 177.336 175.900 0.035 0.000 1.172 1056 Y CA -0.690 57.405 58.100 -0.008 0.000 1.186 1056 Y CB 0.470 38.964 38.460 0.056 0.000 1.216 1056 Y HN 0.057 nan 8.280 nan 0.000 0.540 1057 R N 1.044 121.596 120.500 0.086 0.000 2.198 1057 R HA -0.241 4.100 4.340 0.000 0.000 0.258 1057 R C 1.118 177.480 176.300 0.104 0.000 1.173 1057 R CA 2.065 58.203 56.100 0.063 0.000 0.991 1057 R CB -0.276 30.033 30.300 0.015 0.000 0.879 1057 R HN 0.255 nan 8.270 nan 0.000 0.460 1058 K N -0.980 119.508 120.400 0.146 0.000 2.276 1058 K HA 0.030 4.350 4.320 0.000 0.000 0.198 1058 K C 1.740 178.459 176.600 0.198 0.000 1.052 1058 K CA 0.519 56.893 56.287 0.146 0.000 0.984 1058 K CB -0.093 32.487 32.500 0.133 0.000 0.836 1058 K HN 0.050 nan 8.250 nan 0.000 0.490 1059 F N 1.709 121.704 119.950 0.075 0.000 2.113 1059 F HA -0.095 4.432 4.527 0.000 0.000 0.297 1059 F C 0.966 176.791 175.800 0.042 0.000 1.103 1059 F CA 1.084 59.104 58.000 0.034 0.000 1.248 1059 F CB 0.189 39.163 39.000 -0.044 0.000 0.999 1059 F HN -0.144 nan 8.300 nan 0.000 0.475 1060 L N 2.771 124.043 121.223 0.081 0.000 3.064 1060 L HA 0.098 4.439 4.340 0.000 0.000 0.233 1060 L C 0.877 177.800 176.870 0.088 0.000 1.333 1060 L CA 0.149 55.009 54.840 0.034 0.000 1.140 1060 L CB -1.796 40.392 42.059 0.215 0.000 1.519 1060 L HN 0.354 nan 8.230 nan 0.000 0.493 1061 N N 0.431 119.156 118.700 0.041 0.000 2.601 1061 N HA -0.116 4.624 4.740 0.000 0.000 0.201 1061 N C -0.317 175.218 175.510 0.040 0.000 1.355 1061 N CA 0.340 53.421 53.050 0.051 0.000 0.880 1061 N CB 0.330 38.840 38.487 0.037 0.000 1.071 1061 N HN 0.240 nan 8.380 nan 0.000 0.454 1062 E N 0.368 120.599 120.200 0.051 0.000 2.267 1062 E HA 0.099 4.449 4.350 0.000 0.000 0.248 1062 E C -1.085 175.568 176.600 0.089 0.000 0.899 1062 E CA -0.431 55.982 56.400 0.021 0.000 0.764 1062 E CB 1.438 31.098 29.700 -0.066 0.000 1.227 1062 E HN 0.051 nan 8.360 nan 0.000 0.421 1063 S N 3.556 119.333 115.700 0.129 0.000 2.752 1063 S HA -0.042 4.428 4.470 0.000 0.000 0.329 1063 S C -0.128 174.496 174.600 0.041 0.000 1.204 1063 S CA 0.203 58.542 58.200 0.232 0.000 1.252 1063 S CB -0.872 62.438 63.200 0.182 0.000 1.053 1063 S HN 0.406 nan 8.310 nan 0.000 0.533 1064 Y N 3.073 123.088 120.300 -0.475 0.000 2.511 1064 Y HA -0.285 4.265 4.550 0.000 0.000 0.177 1064 Y C -0.362 175.297 175.900 -0.402 0.000 1.702 1064 Y CA 0.939 58.541 58.100 -0.830 0.000 1.417 1064 Y CB 0.059 38.069 38.460 -0.750 0.000 2.059 1064 Y HN 0.724 nan 8.280 nan 0.000 0.256 1065 K N 3.524 122.981 120.400 -1.572 0.000 2.545 1065 K HA 0.111 4.431 4.320 0.000 0.000 0.291 1065 K C 0.001 175.926 176.600 -1.125 0.000 1.093 1065 K CA -0.097 55.519 56.287 -1.117 0.000 1.012 1065 K CB 0.448 32.580 32.500 -0.612 0.000 1.354 1065 K HN 0.779 nan 8.250 nan 0.000 0.460 1066 H N 1.275 119.847 119.070 -0.830 0.000 2.520 1066 H HA -0.195 4.361 4.556 0.000 0.000 0.295 1066 H C 1.337 176.556 175.328 -0.181 0.000 1.096 1066 H CA 1.983 57.839 56.048 -0.320 0.000 1.249 1066 H CB 0.306 30.015 29.762 -0.088 0.000 1.365 1066 H HN 0.629 nan 8.280 nan 0.000 0.556 1067 E N 0.947 120.800 120.200 -0.578 0.000 2.250 1067 E HA -0.106 4.244 4.350 0.000 0.000 0.192 1067 E C 1.643 178.104 176.600 -0.232 0.000 0.986 1067 E CA 0.579 56.775 56.400 -0.341 0.000 0.849 1067 E CB -0.085 29.373 29.700 -0.405 0.000 0.797 1067 E HN 0.738 nan 8.360 nan 0.000 0.482 1068 Q N 0.618 120.256 119.800 -0.271 0.000 2.134 1068 Q HA 0.155 4.495 4.340 0.000 0.000 0.195 1068 Q C 0.572 176.529 176.000 -0.072 0.000 0.958 1068 Q CA 0.651 56.349 55.803 -0.176 0.000 0.840 1068 Q CB 0.844 29.447 28.738 -0.226 0.000 0.918 1068 Q HN 0.049 nan 8.270 nan 0.000 0.467 1069 V N 0.439 120.310 119.914 -0.071 0.000 2.630 1069 V HA 0.326 4.446 4.120 0.000 0.000 0.305 1069 V C -1.288 174.938 176.094 0.220 0.000 1.046 1069 V CA -0.765 61.594 62.300 0.099 0.000 0.934 1069 V CB 1.469 33.401 31.823 0.182 0.000 1.003 1069 V HN 0.151 nan 8.190 nan 0.000 0.451 1070 Y N 4.141 124.481 120.300 0.066 0.000 2.433 1070 Y HA 0.730 5.281 4.550 0.000 0.000 0.337 1070 Y C -1.126 174.793 175.900 0.031 0.000 1.026 1070 Y CA -0.944 57.200 58.100 0.073 0.000 1.037 1070 Y CB 1.708 40.161 38.460 -0.012 0.000 1.245 1070 Y HN 0.531 nan 8.280 nan 0.000 0.443 1071 I N 6.415 126.725 120.570 -0.433 0.000 2.410 1071 I HA 0.501 4.672 4.170 0.000 0.000 0.286 1071 I C -0.556 175.338 176.117 -0.371 0.000 1.009 1071 I CA -0.513 60.601 61.300 -0.309 0.000 1.111 1071 I CB 1.660 39.582 38.000 -0.131 0.000 1.262 1071 I HN 0.519 nan 8.210 nan 0.000 0.443 1072 R N 4.072 124.415 120.500 -0.262 0.000 2.664 1072 R HA 0.840 5.180 4.340 0.000 0.000 0.286 1072 R C -0.944 175.362 176.300 0.011 0.000 0.967 1072 R CA -0.298 55.764 56.100 -0.063 0.000 0.933 1072 R CB 1.900 32.268 30.300 0.114 0.000 1.146 1072 R HN 0.677 nan 8.270 nan 0.000 0.468 1073 S N 0.925 116.668 115.700 0.072 0.000 2.627 1073 S HA 0.420 4.890 4.470 0.000 0.000 0.283 1073 S C -0.735 173.950 174.600 0.143 0.000 1.127 1073 S CA -0.598 57.660 58.200 0.097 0.000 0.863 1073 S CB 1.553 64.793 63.200 0.066 0.000 1.121 1073 S HN 0.691 nan 8.310 nan 0.000 0.479 1074 T N 0.217 114.876 114.554 0.176 0.000 2.828 1074 T HA 0.332 4.682 4.350 0.000 0.000 0.290 1074 T C -0.133 174.664 174.700 0.162 0.000 1.019 1074 T CA -0.356 61.893 62.100 0.248 0.000 1.031 1074 T CB 0.429 69.610 68.868 0.521 0.000 1.001 1074 T HN 0.538 nan 8.240 nan 0.000 0.531 1075 D N 0.995 121.460 120.400 0.108 0.000 2.619 1075 D HA 0.378 5.018 4.640 0.000 0.000 0.224 1075 D C -1.017 175.324 176.300 0.069 0.000 1.133 1075 D CA -0.221 53.813 54.000 0.056 0.000 1.017 1075 D CB -0.703 40.100 40.800 0.006 0.000 1.077 1075 D HN 0.442 nan 8.370 nan 0.000 0.503 1076 V N 2.527 122.507 119.914 0.110 0.000 2.733 1076 V HA 0.141 4.261 4.120 0.000 0.000 0.306 1076 V C 0.589 176.720 176.094 0.062 0.000 1.084 1076 V CA -0.904 61.469 62.300 0.122 0.000 0.905 1076 V CB 2.067 34.051 31.823 0.268 0.000 1.010 1076 V HN 0.125 nan 8.190 nan 0.000 0.424 1077 D N 2.560 122.978 120.400 0.030 0.000 2.103 1077 D HA -0.205 4.436 4.640 0.000 0.000 0.190 1077 D C 2.031 178.317 176.300 -0.023 0.000 0.997 1077 D CA 2.024 56.025 54.000 0.001 0.000 0.833 1077 D CB -0.123 40.672 40.800 -0.008 0.000 0.961 1077 D HN 0.697 nan 8.370 nan 0.000 0.447 1078 R N 0.666 121.132 120.500 -0.058 0.000 2.117 1078 R HA -0.184 4.156 4.340 0.000 0.000 0.243 1078 R C 1.984 178.228 176.300 -0.094 0.000 1.143 1078 R CA 2.273 58.292 56.100 -0.134 0.000 0.968 1078 R CB -0.671 29.449 30.300 -0.300 0.000 0.863 1078 R HN 0.399 nan 8.270 nan 0.000 0.444 1079 T N -0.476 114.061 114.554 -0.030 0.000 2.735 1079 T HA -0.041 4.309 4.350 0.000 0.000 0.256 1079 T C 2.243 176.959 174.700 0.027 0.000 1.042 1079 T CA 1.095 63.212 62.100 0.027 0.000 1.147 1079 T CB -0.550 68.327 68.868 0.015 0.000 0.865 1079 T HN 0.239 nan 8.240 nan 0.000 0.421 1080 L N 0.459 121.699 121.223 0.028 0.000 2.021 1080 L HA -0.150 4.190 4.340 0.000 0.000 0.215 1080 L C 3.146 180.020 176.870 0.008 0.000 1.074 1080 L CA 2.045 56.899 54.840 0.023 0.000 0.760 1080 L CB -0.694 41.374 42.059 0.016 0.000 0.889 1080 L HN 0.325 nan 8.230 nan 0.000 0.433 1081 M N -1.262 118.329 119.600 -0.014 0.000 2.159 1081 M HA -0.176 4.304 4.480 0.000 0.000 0.263 1081 M C 2.477 178.750 176.300 -0.046 0.000 1.063 1081 M CA 1.515 56.801 55.300 -0.024 0.000 1.110 1081 M CB -0.472 32.107 32.600 -0.035 0.000 1.374 1081 M HN 0.200 nan 8.290 nan 0.000 0.411 1082 S N 1.045 116.672 115.700 -0.120 0.000 2.348 1082 S HA -0.118 4.352 4.470 0.000 0.000 0.221 1082 S C 2.196 176.665 174.600 -0.217 0.000 1.033 1082 S CA 1.422 59.413 58.200 -0.349 0.000 1.010 1082 S CB -0.505 62.247 63.200 -0.748 0.000 0.891 1082 S HN 0.569 nan 8.310 nan 0.000 0.442 1083 A N 2.026 124.833 122.820 -0.022 0.000 1.892 1083 A HA -0.188 4.133 4.320 0.000 0.000 0.218 1083 A C 2.195 179.858 177.584 0.132 0.000 1.188 1083 A CA 1.912 54.049 52.037 0.167 0.000 0.631 1083 A CB -0.751 18.354 19.000 0.175 0.000 0.822 1083 A HN 0.492 nan 8.150 nan 0.000 0.447 1084 M N -0.928 118.727 119.600 0.091 0.000 2.067 1084 M HA -0.133 4.348 4.480 0.000 0.000 0.260 1084 M C 2.274 178.679 176.300 0.176 0.000 1.069 1084 M CA 2.112 57.490 55.300 0.131 0.000 1.117 1084 M CB -1.270 31.393 32.600 0.105 0.000 1.334 1084 M HN 0.466 nan 8.290 nan 0.000 0.407 1085 T N 0.603 115.238 114.554 0.135 0.000 2.759 1085 T HA -0.159 4.191 4.350 0.000 0.000 0.269 1085 T C 1.699 176.545 174.700 0.242 0.000 1.042 1085 T CA 1.558 63.774 62.100 0.194 0.000 1.140 1085 T CB -0.590 68.370 68.868 0.153 0.000 0.864 1085 T HN 0.377 nan 8.240 nan 0.000 0.455 1086 N N 1.433 120.240 118.700 0.177 0.000 2.039 1086 N HA -0.050 4.690 4.740 0.000 0.000 0.193 1086 N C 1.890 177.466 175.510 0.111 0.000 1.044 1086 N CA 1.286 54.418 53.050 0.137 0.000 0.847 1086 N CB -0.379 38.205 38.487 0.162 0.000 1.030 1086 N HN 0.370 nan 8.380 nan 0.000 0.422 1087 L N 0.777 122.099 121.223 0.165 0.000 2.187 1087 L HA -0.100 4.240 4.340 0.000 0.000 0.213 1087 L C 2.484 179.465 176.870 0.185 0.000 1.100 1087 L CA 1.008 55.958 54.840 0.182 0.000 0.765 1087 L CB -0.475 41.694 42.059 0.182 0.000 0.904 1087 L HN 0.161 nan 8.230 nan 0.000 0.437 1088 A N -0.120 122.851 122.820 0.250 0.000 2.067 1088 A HA -0.022 4.298 4.320 0.000 0.000 0.219 1088 A C 2.428 180.160 177.584 0.248 0.000 1.158 1088 A CA 1.645 53.897 52.037 0.359 0.000 0.661 1088 A CB -0.346 18.949 19.000 0.491 0.000 0.801 1088 A HN 0.418 nan 8.150 nan 0.000 0.452 1089 A N -0.889 121.947 122.820 0.028 0.000 1.920 1089 A HA 0.306 4.626 4.320 0.000 0.000 0.209 1089 A C 2.044 179.498 177.584 -0.217 0.000 1.229 1089 A CA 0.713 52.564 52.037 -0.310 0.000 0.671 1089 A CB -0.502 18.113 19.000 -0.643 0.000 0.886 1089 A HN 0.390 nan 8.150 nan 0.000 0.461 1090 L N -1.196 119.905 121.223 -0.203 0.000 1.970 1090 L HA -0.076 4.264 4.340 0.000 0.000 0.212 1090 L C 0.237 176.798 176.870 -0.516 0.000 1.071 1090 L CA 1.418 56.010 54.840 -0.414 0.000 0.751 1090 L CB -0.173 41.585 42.059 -0.500 0.000 0.889 1090 L HN 0.403 nan 8.230 nan 0.000 0.432 1091 F N 0.911 120.879 119.950 0.029 0.000 2.366 1091 F HA 0.306 4.834 4.527 0.000 0.000 0.328 1091 F C -2.001 173.816 175.800 0.029 0.000 1.180 1091 F CA -2.212 55.809 58.000 0.036 0.000 1.232 1091 F CB 0.156 39.181 39.000 0.042 0.000 1.513 1091 F HN 0.021 nan 8.300 nan 0.000 0.540 1092 P HA 0.106 nan 4.420 nan 0.000 0.276 1092 P C -2.574 174.807 177.300 0.135 0.000 1.235 1092 P CA -1.418 61.767 63.100 0.143 0.000 0.772 1092 P CB 0.677 32.442 31.700 0.110 0.000 0.871 1093 P HA 0.074 nan 4.420 nan 0.000 0.267 1093 P C -0.372 176.975 177.300 0.079 0.000 1.205 1093 P CA 0.572 63.730 63.100 0.096 0.000 0.765 1093 P CB 0.672 32.427 31.700 0.092 0.000 0.828 1094 E N 1.522 121.765 120.200 0.073 0.000 2.445 1094 E HA 0.557 4.907 4.350 0.000 0.000 0.279 1094 E C 0.118 176.746 176.600 0.046 0.000 1.018 1094 E CA -0.856 55.576 56.400 0.053 0.000 0.816 1094 E CB 0.804 30.537 29.700 0.054 0.000 1.356 1094 E HN 0.513 nan 8.360 nan 0.000 0.462 1095 G N 0.236 109.055 108.800 0.033 0.000 2.556 1095 G HA2 -0.340 3.620 3.960 0.000 0.000 0.283 1095 G HA3 -0.340 3.620 3.960 0.000 0.000 0.283 1095 G C 0.816 175.733 174.900 0.028 0.000 1.177 1095 G CA 0.303 45.420 45.100 0.028 0.000 0.978 1095 G HN 0.894 nan 8.290 nan 0.000 0.554 1096 V N 1.850 121.783 119.914 0.030 0.000 2.970 1096 V HA 0.121 4.241 4.120 0.000 0.000 0.260 1096 V C 2.108 178.231 176.094 0.049 0.000 1.100 1096 V CA 2.395 64.715 62.300 0.033 0.000 1.122 1096 V CB -0.052 31.786 31.823 0.026 0.000 0.721 1096 V HN 1.352 nan 8.190 nan 0.000 0.483 1097 S N 0.060 115.794 115.700 0.057 0.000 2.979 1097 S HA 0.485 4.955 4.470 0.000 0.000 0.210 1097 S C -0.015 174.650 174.600 0.109 0.000 1.364 1097 S CA -0.261 57.990 58.200 0.085 0.000 1.208 1097 S CB -0.461 62.785 63.200 0.076 0.000 1.167 1097 S HN 0.431 nan 8.310 nan 0.000 0.519 1098 I N 2.957 123.579 120.570 0.086 0.000 2.954 1098 I HA 0.178 4.348 4.170 0.000 0.000 0.312 1098 I C 1.294 177.386 176.117 -0.042 0.000 1.391 1098 I CA -0.850 60.459 61.300 0.015 0.000 0.906 1098 I CB 0.162 38.143 38.000 -0.031 0.000 2.079 1098 I HN 0.626 nan 8.210 nan 0.000 0.618 1099 W N 2.290 123.591 121.300 0.001 0.000 2.292 1099 W HA -0.232 4.428 4.660 0.000 0.000 0.304 1099 W C 0.081 176.617 176.519 0.028 0.000 1.228 1099 W CA 1.000 58.351 57.345 0.009 0.000 1.241 1099 W CB -0.782 28.677 29.460 -0.001 0.000 1.142 1099 W HN 0.423 nan 8.180 nan 0.000 0.520 1100 N N 1.139 119.109 118.700 -1.217 0.000 2.448 1100 N HA 0.299 5.040 4.740 0.000 0.000 0.279 1100 N C -2.399 172.767 175.510 -0.574 0.000 1.025 1100 N CA -2.463 49.950 53.050 -1.063 0.000 0.898 1100 N CB 1.939 39.245 38.487 -1.969 0.000 1.303 1100 N HN -0.364 nan 8.380 nan 0.000 0.495 1101 P HA 0.156 nan 4.420 nan 0.000 0.241 1101 P C 0.757 177.973 177.300 -0.141 0.000 1.191 1101 P CA 0.225 63.220 63.100 -0.176 0.000 0.771 1101 P CB 0.445 32.078 31.700 -0.113 0.000 0.929 1102 I N -1.586 118.881 120.570 -0.173 0.000 3.265 1102 I HA 0.119 4.289 4.170 0.000 0.000 0.282 1102 I C 0.750 176.813 176.117 -0.089 0.000 1.207 1102 I CA 0.268 61.502 61.300 -0.110 0.000 1.449 1102 I CB -0.357 37.585 38.000 -0.096 0.000 1.121 1102 I HN -0.035 nan 8.210 nan 0.000 0.442 1103 L N 1.302 122.446 121.223 -0.131 0.000 2.343 1103 L HA 0.404 4.744 4.340 0.000 0.000 0.278 1103 L C -0.341 176.535 176.870 0.010 0.000 0.996 1103 L CA -0.053 54.773 54.840 -0.022 0.000 0.831 1103 L CB 1.287 43.375 42.059 0.049 0.000 1.232 1103 L HN -0.072 nan 8.230 nan 0.000 0.413 1104 L N 5.221 126.491 121.223 0.079 0.000 2.583 1104 L HA 0.242 4.582 4.340 0.000 0.000 0.239 1104 L C -1.136 175.888 176.870 0.258 0.000 1.347 1104 L CA -0.022 54.884 54.840 0.109 0.000 1.246 1104 L CB -0.387 41.722 42.059 0.083 0.000 1.496 1104 L HN 0.667 nan 8.230 nan 0.000 0.413 1105 W N 2.683 124.050 121.300 0.112 0.000 3.127 1105 W HA 0.475 5.135 4.660 0.000 0.000 0.330 1105 W C -1.291 175.450 176.519 0.369 0.000 1.187 1105 W CA -0.639 56.826 57.345 0.201 0.000 1.198 1105 W CB 1.291 30.859 29.460 0.180 0.000 1.408 1105 W HN 0.209 nan 8.180 nan 0.000 0.529 1106 Q N 5.544 124.842 119.800 -0.837 0.000 2.331 1106 Q HA 0.571 4.911 4.340 0.000 0.000 0.272 1106 Q C -2.761 172.344 176.000 -1.491 0.000 1.062 1106 Q CA -2.282 53.020 55.803 -0.834 0.000 0.806 1106 Q CB 2.988 31.571 28.738 -0.257 0.000 1.312 1106 Q HN 0.282 nan 8.270 nan 0.000 0.431 1107 P HA 0.233 nan 4.420 nan 0.000 0.271 1107 P C -0.838 176.172 177.300 -0.484 0.000 1.216 1107 P CA 0.078 62.709 63.100 -0.783 0.000 0.771 1107 P CB 0.889 32.312 31.700 -0.462 0.000 0.864 1108 I N 4.533 124.890 120.570 -0.355 0.000 2.619 1108 I HA 0.318 4.488 4.170 0.000 0.000 0.292 1108 I C -2.028 173.925 176.117 -0.273 0.000 1.100 1108 I CA -2.554 58.468 61.300 -0.464 0.000 1.043 1108 I CB 2.601 40.219 38.000 -0.636 0.000 1.239 1108 I HN 0.239 nan 8.210 nan 0.000 0.420 1109 P HA 0.253 nan 4.420 nan 0.000 0.275 1109 P C -1.040 176.021 177.300 -0.398 0.000 1.228 1109 P CA -0.219 62.694 63.100 -0.312 0.000 0.786 1109 P CB 1.738 33.243 31.700 -0.326 0.000 0.927 1110 V N 3.749 123.405 119.914 -0.429 0.000 2.447 1110 V HA 0.195 4.315 4.120 0.000 0.000 0.292 1110 V C 0.129 175.979 176.094 -0.407 0.000 1.021 1110 V CA -0.670 61.425 62.300 -0.341 0.000 0.850 1110 V CB 0.944 32.686 31.823 -0.135 0.000 1.005 1110 V HN 0.618 nan 8.190 nan 0.000 0.426 1111 H N 2.416 121.376 119.070 -0.183 0.000 2.548 1111 H HA 0.580 5.136 4.556 0.000 0.000 0.331 1111 H C 0.149 175.464 175.328 -0.021 0.000 1.093 1111 H CA 0.037 56.033 56.048 -0.088 0.000 1.367 1111 H CB 2.247 31.959 29.762 -0.083 0.000 1.455 1111 H HN 0.627 nan 8.280 nan 0.000 0.519 1112 T N 1.373 115.995 114.554 0.113 0.000 2.742 1112 T HA 0.574 4.924 4.350 0.000 0.000 0.282 1112 T C -1.109 173.654 174.700 0.104 0.000 1.025 1112 T CA -0.600 61.560 62.100 0.100 0.000 1.020 1112 T CB 1.440 70.345 68.868 0.062 0.000 1.317 1112 T HN 0.291 nan 8.240 nan 0.000 0.538 1113 V N 3.159 123.124 119.914 0.085 0.000 2.851 1113 V HA 0.528 4.649 4.120 0.000 0.000 0.307 1113 V C -2.421 173.688 176.094 0.024 0.000 1.129 1113 V CA -1.777 60.560 62.300 0.063 0.000 0.932 1113 V CB 2.546 34.417 31.823 0.080 0.000 1.024 1113 V HN 0.837 nan 8.190 nan 0.000 0.426 1114 P HA 0.140 nan 4.420 nan 0.000 0.264 1114 P C 1.174 178.432 177.300 -0.070 0.000 1.193 1114 P CA 0.168 63.250 63.100 -0.030 0.000 0.763 1114 P CB 0.919 32.607 31.700 -0.019 0.000 0.810 1115 L N 2.997 124.124 121.223 -0.160 0.000 1.997 1115 L HA -0.323 4.017 4.340 0.000 0.000 0.227 1115 L C 2.653 179.412 176.870 -0.185 0.000 1.087 1115 L CA 2.861 57.502 54.840 -0.332 0.000 0.797 1115 L CB -1.725 39.995 42.059 -0.564 0.000 0.902 1115 L HN 0.462 nan 8.230 nan 0.000 0.441 1116 S N -1.063 114.571 115.700 -0.111 0.000 2.462 1116 S HA -0.219 4.251 4.470 0.000 0.000 0.243 1116 S C 1.501 176.095 174.600 -0.011 0.000 1.003 1116 S CA 1.701 59.880 58.200 -0.035 0.000 0.970 1116 S CB -0.346 62.843 63.200 -0.018 0.000 0.762 1116 S HN 0.571 nan 8.310 nan 0.000 0.510 1117 E N 0.451 120.638 120.200 -0.021 0.000 2.447 1117 E HA 0.133 4.484 4.350 0.000 0.000 0.204 1117 E C -0.133 176.462 176.600 -0.008 0.000 0.977 1117 E CA -0.205 56.186 56.400 -0.014 0.000 0.950 1117 E CB 0.156 29.850 29.700 -0.010 0.000 0.975 1117 E HN 0.422 nan 8.360 nan 0.000 0.496 1118 D N 1.870 122.284 120.400 0.023 0.000 2.472 1118 D HA -0.088 4.553 4.640 0.000 0.000 0.248 1118 D C -0.061 176.301 176.300 0.102 0.000 1.174 1118 D CA 0.784 54.837 54.000 0.089 0.000 0.883 1118 D CB 0.677 41.562 40.800 0.142 0.000 1.149 1118 D HN 0.140 nan 8.370 nan 0.000 0.488 1119 Q N 3.370 123.183 119.800 0.022 0.000 2.165 1119 Q HA 0.168 4.508 4.340 0.000 0.000 0.245 1119 Q C 0.403 176.405 176.000 0.003 0.000 0.841 1119 Q CA -0.278 55.403 55.803 -0.204 0.000 1.078 1119 Q CB 1.134 29.660 28.738 -0.354 0.000 1.169 1119 Q HN 0.428 nan 8.270 nan 0.000 0.475 1120 L N -1.829 119.566 121.223 0.287 0.000 2.567 1120 L HA 0.195 4.535 4.340 0.000 0.000 0.228 1120 L C 0.763 177.771 176.870 0.230 0.000 1.046 1120 L CA 0.707 55.707 54.840 0.266 0.000 1.013 1120 L CB 0.567 42.734 42.059 0.180 0.000 1.944 1120 L HN 0.136 nan 8.230 nan 0.000 0.510 1121 L N -1.520 119.850 121.223 0.245 0.000 2.537 1121 L HA 0.177 4.517 4.340 0.000 0.000 0.224 1121 L C 0.260 177.261 176.870 0.218 0.000 1.065 1121 L CA 0.054 55.010 54.840 0.195 0.000 0.860 1121 L CB 0.123 42.330 42.059 0.248 0.000 1.086 1121 L HN 0.116 nan 8.230 nan 0.000 0.482 1122 Y N 2.806 123.186 120.300 0.133 0.000 2.603 1122 Y HA 0.244 4.794 4.550 0.000 0.000 0.341 1122 Y C 0.152 175.988 175.900 -0.107 0.000 1.272 1122 Y CA -0.290 57.854 58.100 0.074 0.000 1.891 1122 Y CB -0.411 38.115 38.460 0.110 0.000 1.910 1122 Y HN 0.018 nan 8.280 nan 0.000 0.432 1123 L N 5.848 126.900 121.223 -0.286 0.000 2.375 1123 L HA 0.390 4.730 4.340 0.000 0.000 0.271 1123 L C -2.026 174.679 176.870 -0.274 0.000 1.107 1123 L CA -2.177 52.419 54.840 -0.405 0.000 0.806 1123 L CB 0.816 42.662 42.059 -0.355 0.000 1.146 1123 L HN 0.321 nan 8.230 nan 0.000 0.447 1124 P HA 0.167 nan 4.420 nan 0.000 0.285 1124 P C -0.908 176.347 177.300 -0.075 0.000 1.259 1124 P CA -0.447 62.575 63.100 -0.130 0.000 0.794 1124 P CB 0.637 32.312 31.700 -0.042 0.000 0.940 1125 F N 2.484 122.515 119.950 0.133 0.000 2.572 1125 F HA 0.153 4.680 4.527 0.000 0.000 0.370 1125 F C 2.005 177.910 175.800 0.175 0.000 1.103 1125 F CA 0.335 58.432 58.000 0.162 0.000 1.286 1125 F CB 0.058 39.184 39.000 0.210 0.000 1.105 1125 F HN 0.271 nan 8.300 nan 0.000 0.583 1126 R N 1.055 121.754 120.500 0.331 0.000 2.565 1126 R HA 0.095 4.436 4.340 0.000 0.000 0.347 1126 R C 0.009 176.424 176.300 0.190 0.000 1.010 1126 R CA -0.036 56.186 56.100 0.204 0.000 1.126 1126 R CB -0.109 30.252 30.300 0.102 0.000 1.331 1126 R HN 0.731 nan 8.270 nan 0.000 0.552 1127 N N -0.501 118.362 118.700 0.271 0.000 2.758 1127 N HA 0.088 4.828 4.740 0.000 0.000 0.293 1127 N C -0.589 175.046 175.510 0.209 0.000 1.273 1127 N CA -0.394 52.787 53.050 0.219 0.000 1.022 1127 N CB 0.718 39.346 38.487 0.234 0.000 1.334 1127 N HN -0.052 nan 8.380 nan 0.000 0.519 1128 c N 1.218 119.894 118.600 0.126 0.000 2.801 1128 c HA 0.401 4.971 4.570 0.000 0.000 0.296 1128 c C -1.447 172.603 174.090 -0.066 0.000 1.054 1128 c CA -1.675 54.616 56.329 -0.063 0.000 1.442 1128 c CB 0.492 42.975 42.510 -0.046 0.000 1.860 1128 c HN 0.337 nan 8.230 nan 0.000 0.459 1129 P HA -0.206 nan 4.420 nan 0.000 0.219 1129 P C 0.961 178.225 177.300 -0.061 0.000 1.161 1129 P CA 1.308 64.373 63.100 -0.058 0.000 0.909 1129 P CB 0.033 31.692 31.700 -0.067 0.000 0.793 1130 R N 0.081 120.521 120.500 -0.099 0.000 4.739 1130 R HA -0.025 4.315 4.340 0.000 0.000 0.203 1130 R C 0.888 177.155 176.300 -0.055 0.000 2.125 1130 R CA 0.411 56.462 56.100 -0.082 0.000 1.743 1130 R CB -1.718 28.513 30.300 -0.116 0.000 1.271 1130 R HN 0.089 nan 8.270 nan 0.000 0.746 1131 Q N -0.758 119.044 119.800 0.004 0.000 1.887 1131 Q HA -0.420 3.920 4.340 0.000 0.000 0.171 1131 Q C 1.112 177.108 176.000 -0.007 0.000 2.939 1131 Q CA 2.840 58.640 55.803 -0.005 0.000 0.197 1131 Q CB -1.210 27.526 28.738 -0.004 0.000 0.214 1131 Q HN 0.692 nan 8.270 nan 0.000 0.365 1132 E N 0.727 120.923 120.200 -0.007 0.000 2.038 1132 E HA -0.141 4.209 4.350 0.000 0.000 0.195 1132 E C 2.277 178.889 176.600 0.019 0.000 1.000 1132 E CA 1.493 57.894 56.400 0.001 0.000 0.803 1132 E CB -0.256 29.443 29.700 -0.002 0.000 0.750 1132 E HN 0.400 nan 8.360 nan 0.000 0.448 1133 L N 0.908 122.145 121.223 0.023 0.000 2.089 1133 L HA -0.278 4.062 4.340 0.000 0.000 0.213 1133 L C 2.633 179.537 176.870 0.057 0.000 1.079 1133 L CA 1.373 56.245 54.840 0.054 0.000 0.758 1133 L CB -0.497 41.573 42.059 0.018 0.000 0.891 1133 L HN 0.237 nan 8.230 nan 0.000 0.433 1134 E N -0.023 120.180 120.200 0.005 0.000 2.007 1134 E HA -0.215 4.135 4.350 0.000 0.000 0.194 1134 E C 2.282 178.856 176.600 -0.043 0.000 0.999 1134 E CA 1.673 58.048 56.400 -0.040 0.000 0.811 1134 E CB 0.054 29.718 29.700 -0.059 0.000 0.762 1134 E HN 0.352 nan 8.360 nan 0.000 0.450 1135 S N 0.813 116.498 115.700 -0.024 0.000 2.368 1135 S HA -0.260 4.210 4.470 0.000 0.000 0.226 1135 S C 1.733 176.320 174.600 -0.021 0.000 1.044 1135 S CA 1.772 59.960 58.200 -0.020 0.000 1.062 1135 S CB -0.454 62.742 63.200 -0.006 0.000 0.931 1135 S HN 0.344 nan 8.310 nan 0.000 0.440 1136 E N 0.414 120.614 120.200 0.000 0.000 2.070 1136 E HA -0.157 4.193 4.350 0.000 0.000 0.197 1136 E C 2.244 178.767 176.600 -0.128 0.000 1.004 1136 E CA 1.663 58.037 56.400 -0.044 0.000 0.805 1136 E CB -0.565 29.173 29.700 0.063 0.000 0.744 1136 E HN 0.496 nan 8.360 nan 0.000 0.451 1137 T N 2.131 116.670 114.554 -0.025 0.000 2.699 1137 T HA -0.168 4.182 4.350 0.000 0.000 0.268 1137 T C 1.817 176.461 174.700 -0.093 0.000 1.036 1137 T CA 0.872 62.936 62.100 -0.060 0.000 1.147 1137 T CB -0.124 68.684 68.868 -0.099 0.000 0.862 1137 T HN 0.051 nan 8.240 nan 0.000 0.446 1138 L N 0.392 121.552 121.223 -0.106 0.000 2.083 1138 L HA -0.058 4.282 4.340 0.000 0.000 0.209 1138 L C 2.335 179.329 176.870 0.207 0.000 1.083 1138 L CA 1.764 56.649 54.840 0.075 0.000 0.752 1138 L CB -1.023 41.060 42.059 0.041 0.000 0.899 1138 L HN 0.221 nan 8.230 nan 0.000 0.433 1139 K N 0.944 121.375 120.400 0.053 0.000 1.968 1139 K HA -0.042 4.278 4.320 0.000 0.000 0.215 1139 K C 0.994 177.602 176.600 0.013 0.000 1.040 1139 K CA 0.709 57.008 56.287 0.020 0.000 0.959 1139 K CB -0.854 31.621 32.500 -0.042 0.000 0.740 1139 K HN 0.370 nan 8.250 nan 0.000 0.443 1140 S N 1.971 117.615 115.700 -0.093 0.000 4.273 1140 S HA -0.235 4.236 4.470 0.000 0.000 0.512 1140 S C 0.933 175.544 174.600 0.020 0.000 1.063 1140 S CA 0.483 58.626 58.200 -0.095 0.000 0.904 1140 S CB -0.248 62.850 63.200 -0.169 0.000 0.778 1140 S HN 0.348 nan 8.310 nan 0.000 0.467 1141 E N 1.363 121.563 120.200 -0.001 0.000 2.273 1141 E HA -0.244 4.106 4.350 0.000 0.000 0.198 1141 E C 1.861 178.475 176.600 0.023 0.000 1.002 1141 E CA 1.319 57.719 56.400 0.000 0.000 0.828 1141 E CB -0.060 29.629 29.700 -0.018 0.000 0.747 1141 E HN 0.883 nan 8.360 nan 0.000 0.491 1142 E N 0.460 120.693 120.200 0.055 0.000 2.049 1142 E HA -0.234 4.116 4.350 0.000 0.000 0.198 1142 E C 1.627 178.304 176.600 0.130 0.000 1.007 1142 E CA 1.341 57.792 56.400 0.086 0.000 0.809 1142 E CB -0.582 29.185 29.700 0.111 0.000 0.749 1142 E HN 0.308 nan 8.360 nan 0.000 0.450 1143 F N 1.159 121.118 119.950 0.015 0.000 2.161 1143 F HA -0.164 4.363 4.527 0.000 0.000 0.300 1143 F C 1.999 177.820 175.800 0.035 0.000 1.089 1143 F CA 1.584 59.598 58.000 0.024 0.000 1.282 1143 F CB -0.352 38.657 39.000 0.015 0.000 1.010 1143 F HN 0.072 nan 8.300 nan 0.000 0.485 1144 Q N 0.393 120.101 119.800 -0.152 0.000 2.079 1144 Q HA -0.194 4.146 4.340 0.000 0.000 0.200 1144 Q C 2.238 178.157 176.000 -0.135 0.000 0.974 1144 Q CA 1.399 57.067 55.803 -0.225 0.000 0.840 1144 Q CB -0.605 28.069 28.738 -0.107 0.000 0.898 1144 Q HN 0.303 nan 8.270 nan 0.000 0.430 1145 K N 1.001 121.363 120.400 -0.063 0.000 2.211 1145 K HA -0.109 4.211 4.320 0.000 0.000 0.204 1145 K C 1.934 178.543 176.600 0.015 0.000 1.047 1145 K CA 1.160 57.439 56.287 -0.013 0.000 0.935 1145 K CB 0.123 32.625 32.500 0.003 0.000 0.728 1145 K HN 0.120 nan 8.250 nan 0.000 0.452 1146 R N -0.639 119.847 120.500 -0.024 0.000 2.066 1146 R HA -0.005 4.335 4.340 0.000 0.000 0.224 1146 R C 2.205 178.532 176.300 0.046 0.000 1.122 1146 R CA 0.946 57.059 56.100 0.020 0.000 0.974 1146 R CB -0.759 29.555 30.300 0.024 0.000 0.871 1146 R HN 0.128 nan 8.270 nan 0.000 0.435 1147 L N 1.031 122.150 121.223 -0.173 0.000 1.961 1147 L HA -0.209 4.131 4.340 0.000 0.000 0.210 1147 L C 2.241 179.167 176.870 0.093 0.000 1.072 1147 L CA 2.273 57.039 54.840 -0.123 0.000 0.749 1147 L CB -1.105 40.674 42.059 -0.467 0.000 0.889 1147 L HN 0.208 nan 8.230 nan 0.000 0.432 1148 H N 0.113 119.135 119.070 -0.081 0.000 2.297 1148 H HA -0.233 4.323 4.556 0.000 0.000 0.277 1148 H C -0.729 174.577 175.328 -0.037 0.000 1.141 1148 H CA 3.195 59.214 56.048 -0.049 0.000 1.159 1148 H CB -1.870 27.854 29.762 -0.063 0.000 1.378 1148 H HN 0.301 nan 8.280 nan 0.000 0.482 1149 P HA -0.142 nan 4.420 nan 0.000 0.218 1149 P C 0.355 177.380 177.300 -0.457 0.000 1.146 1149 P CA 1.670 64.523 63.100 -0.412 0.000 0.813 1149 P CB -0.157 31.272 31.700 -0.452 0.000 0.778 1150 Y N -2.024 118.224 120.300 -0.087 0.000 2.658 1150 Y HA 0.228 4.779 4.550 0.000 0.000 0.276 1150 Y C 1.944 177.879 175.900 0.058 0.000 1.167 1150 Y CA -0.271 57.826 58.100 -0.004 0.000 1.230 1150 Y CB -0.086 38.364 38.460 -0.017 0.000 1.144 1150 Y HN -0.226 nan 8.280 nan 0.000 0.529 1151 K N 1.279 121.728 120.400 0.082 0.000 2.007 1151 K HA -0.155 4.165 4.320 0.000 0.000 0.206 1151 K C 1.772 178.415 176.600 0.071 0.000 1.047 1151 K CA 1.996 58.327 56.287 0.074 0.000 0.937 1151 K CB -0.270 32.248 32.500 0.031 0.000 0.718 1151 K HN 0.322 nan 8.250 nan 0.000 0.438 1152 D N -0.666 119.757 120.400 0.038 0.000 2.097 1152 D HA -0.191 4.449 4.640 0.000 0.000 0.197 1152 D C 1.888 178.224 176.300 0.060 0.000 0.984 1152 D CA 1.137 55.155 54.000 0.030 0.000 0.826 1152 D CB -0.341 40.462 40.800 0.006 0.000 0.973 1152 D HN 0.192 nan 8.370 nan 0.000 0.460 1153 F N 1.857 121.807 119.950 -0.000 0.000 2.043 1153 F HA -0.255 4.273 4.527 0.000 0.000 0.297 1153 F C 2.164 177.985 175.800 0.034 0.000 1.118 1153 F CA 2.626 60.645 58.000 0.032 0.000 1.202 1153 F CB -0.711 38.342 39.000 0.088 0.000 0.965 1153 F HN 0.197 nan 8.300 nan 0.000 0.482 1154 I N -0.856 119.773 120.570 0.098 0.000 2.454 1154 I HA -0.086 4.084 4.170 0.000 0.000 0.254 1154 I C 2.314 178.373 176.117 -0.096 0.000 1.156 1154 I CA 1.322 62.614 61.300 -0.014 0.000 1.433 1154 I CB -1.338 36.749 38.000 0.146 0.000 1.082 1154 I HN 0.193 nan 8.210 nan 0.000 0.432 1155 A N 2.407 125.191 122.820 -0.060 0.000 1.873 1155 A HA -0.259 4.061 4.320 0.000 0.000 0.218 1155 A C 2.554 180.068 177.584 -0.117 0.000 1.193 1155 A CA 3.326 55.328 52.037 -0.058 0.000 0.629 1155 A CB -1.566 17.413 19.000 -0.035 0.000 0.826 1155 A HN 0.676 nan 8.150 nan 0.000 0.447 1156 T N -2.053 112.389 114.554 -0.185 0.000 2.737 1156 T HA -0.140 4.210 4.350 0.000 0.000 0.265 1156 T C 1.810 176.311 174.700 -0.332 0.000 1.038 1156 T CA 1.486 63.445 62.100 -0.235 0.000 1.144 1156 T CB -0.686 68.031 68.868 -0.252 0.000 0.866 1156 T HN 0.248 nan 8.240 nan 0.000 0.434 1157 L N 2.502 123.456 121.223 -0.448 0.000 2.064 1157 L HA 0.017 4.357 4.340 0.000 0.000 0.216 1157 L C 2.710 179.364 176.870 -0.360 0.000 1.077 1157 L CA 2.295 56.841 54.840 -0.490 0.000 0.766 1157 L CB -1.271 40.498 42.059 -0.483 0.000 0.890 1157 L HN 0.476 nan 8.230 nan 0.000 0.435 1158 G N -1.508 107.160 108.800 -0.220 0.000 2.470 1158 G HA2 -0.309 3.652 3.960 0.000 0.000 0.220 1158 G HA3 -0.309 3.652 3.960 0.000 0.000 0.220 1158 G C 1.726 176.525 174.900 -0.169 0.000 1.121 1158 G CA 0.833 45.845 45.100 -0.146 0.000 0.766 1158 G HN 0.451 nan 8.290 nan 0.000 0.553 1159 K N -0.401 119.896 120.400 -0.172 0.000 2.379 1159 K HA 0.318 4.638 4.320 0.000 0.000 0.194 1159 K C 1.909 178.355 176.600 -0.256 0.000 1.031 1159 K CA -0.105 56.108 56.287 -0.123 0.000 1.037 1159 K CB 0.024 32.473 32.500 -0.086 0.000 0.824 1159 K HN 0.301 nan 8.250 nan 0.000 0.516 1160 L N 0.031 120.975 121.223 -0.464 0.000 2.463 1160 L HA 0.009 4.349 4.340 0.000 0.000 0.219 1160 L C 2.103 178.605 176.870 -0.613 0.000 1.088 1160 L CA 0.462 54.863 54.840 -0.732 0.000 0.849 1160 L CB 0.258 41.452 42.059 -1.442 0.000 1.012 1160 L HN 0.158 nan 8.230 nan 0.000 0.468 1161 S N -1.264 114.148 115.700 -0.479 0.000 2.427 1161 S HA 0.218 4.688 4.470 0.000 0.000 0.224 1161 S C 1.590 176.170 174.600 -0.033 0.000 1.047 1161 S CA 0.673 58.688 58.200 -0.308 0.000 0.953 1161 S CB 0.782 63.802 63.200 -0.299 0.000 0.824 1161 S HN 0.397 nan 8.310 nan 0.000 0.502 1162 G N 0.905 109.593 108.800 -0.186 0.000 2.352 1162 G HA2 -0.134 3.826 3.960 0.000 0.000 0.204 1162 G HA3 -0.134 3.826 3.960 0.000 0.000 0.204 1162 G C -0.095 174.552 174.900 -0.421 0.000 1.004 1162 G CA -0.165 44.802 45.100 -0.222 0.000 0.648 1162 G HN 0.469 nan 8.290 nan 0.000 0.491 1163 L N 2.386 123.450 121.223 -0.265 0.000 2.319 1163 L HA 0.439 4.779 4.340 0.000 0.000 0.280 1163 L C 0.405 177.097 176.870 -0.296 0.000 1.099 1163 L CA -0.696 54.025 54.840 -0.197 0.000 0.828 1163 L CB 0.662 42.695 42.059 -0.044 0.000 1.150 1163 L HN 0.123 nan 8.230 nan 0.000 0.442 1164 H N 3.155 122.238 119.070 0.021 0.000 2.452 1164 H HA 0.396 4.952 4.556 0.000 0.000 0.240 1164 H C 0.259 175.600 175.328 0.022 0.000 1.498 1164 H CA -0.179 55.874 56.048 0.009 0.000 1.142 1164 H CB 0.729 30.495 29.762 0.007 0.000 1.599 1164 H HN 0.718 nan 8.280 nan 0.000 0.527 1165 G N 0.237 109.098 108.800 0.102 0.000 2.731 1165 G HA2 0.192 4.152 3.960 0.000 0.000 0.298 1165 G HA3 0.192 4.152 3.960 0.000 0.000 0.298 1165 G C 0.037 174.989 174.900 0.086 0.000 1.424 1165 G CA -0.585 44.572 45.100 0.095 0.000 1.029 1165 G HN 0.159 nan 8.290 nan 0.000 0.518 1166 Q N 0.304 120.158 119.800 0.091 0.000 2.344 1166 Q HA 0.064 4.404 4.340 0.000 0.000 0.212 1166 Q C 0.338 176.414 176.000 0.127 0.000 0.943 1166 Q CA -0.052 55.810 55.803 0.099 0.000 0.955 1166 Q CB 0.212 29.007 28.738 0.094 0.000 1.000 1166 Q HN 0.660 nan 8.270 nan 0.000 0.488 1167 D N -0.192 120.285 120.400 0.128 0.000 2.356 1167 D HA -0.076 4.564 4.640 0.000 0.000 0.272 1167 D C 0.826 177.238 176.300 0.187 0.000 1.337 1167 D CA 0.160 54.255 54.000 0.159 0.000 0.970 1167 D CB 0.382 41.276 40.800 0.156 0.000 1.092 1167 D HN 0.170 nan 8.370 nan 0.000 0.516 1168 L N 3.622 124.977 121.223 0.218 0.000 1.978 1168 L HA -0.249 4.091 4.340 0.000 0.000 0.218 1168 L C 2.063 179.102 176.870 0.281 0.000 1.075 1168 L CA 1.426 56.407 54.840 0.234 0.000 0.767 1168 L CB -0.633 41.582 42.059 0.261 0.000 0.890 1168 L HN 0.546 nan 8.230 nan 0.000 0.434 1169 F N 1.053 121.109 119.950 0.175 0.000 2.087 1169 F HA -0.225 4.302 4.527 0.000 0.000 0.299 1169 F C 2.231 178.136 175.800 0.175 0.000 1.100 1169 F CA 1.707 59.834 58.000 0.212 0.000 1.226 1169 F CB -0.907 38.157 39.000 0.107 0.000 0.983 1169 F HN 0.041 nan 8.300 nan 0.000 0.479 1170 G N 1.091 109.888 108.800 -0.005 0.000 2.442 1170 G HA2 -0.251 3.709 3.960 0.000 0.000 0.219 1170 G HA3 -0.251 3.709 3.960 0.000 0.000 0.219 1170 G C 1.711 176.590 174.900 -0.033 0.000 1.141 1170 G CA 1.099 46.136 45.100 -0.105 0.000 0.763 1170 G HN 0.403 nan 8.290 nan 0.000 0.554 1171 I N -0.423 120.197 120.570 0.083 0.000 2.163 1171 I HA -0.132 4.038 4.170 0.000 0.000 0.243 1171 I C 2.401 178.652 176.117 0.224 0.000 1.085 1171 I CA 0.985 62.375 61.300 0.149 0.000 1.347 1171 I CB -1.096 37.008 38.000 0.174 0.000 1.044 1171 I HN 0.415 nan 8.210 nan 0.000 0.408 1172 W N 2.744 124.031 121.300 -0.021 0.000 2.380 1172 W HA -0.212 4.448 4.660 0.000 0.000 0.317 1172 W C 3.018 179.491 176.519 -0.076 0.000 1.196 1172 W CA 2.301 59.651 57.345 0.009 0.000 1.307 1172 W CB -0.999 28.446 29.460 -0.025 0.000 1.157 1172 W HN 0.282 nan 8.180 nan 0.000 0.483 1173 S N 0.367 115.798 115.700 -0.450 0.000 2.368 1173 S HA -0.188 4.282 4.470 0.000 0.000 0.225 1173 S C 1.680 176.093 174.600 -0.312 0.000 1.030 1173 S CA 1.638 59.438 58.200 -0.668 0.000 0.999 1173 S CB -0.615 61.899 63.200 -1.144 0.000 0.844 1173 S HN 0.370 nan 8.310 nan 0.000 0.459 1174 K N 0.022 120.325 120.400 -0.162 0.000 2.358 1174 K HA 0.381 4.701 4.320 0.000 0.000 0.197 1174 K C 0.803 177.544 176.600 0.235 0.000 1.025 1174 K CA 0.192 56.478 56.287 -0.002 0.000 1.104 1174 K CB 0.748 33.256 32.500 0.013 0.000 0.855 1174 K HN 0.288 nan 8.250 nan 0.000 0.531 1175 V N -1.155 118.901 119.914 0.236 0.000 3.278 1175 V HA -0.070 4.050 4.120 0.000 0.000 0.215 1175 V C 1.309 177.599 176.094 0.327 0.000 1.287 1175 V CA 0.102 62.608 62.300 0.342 0.000 1.302 1175 V CB -0.543 31.415 31.823 0.224 0.000 1.228 1175 V HN 0.099 nan 8.190 nan 0.000 0.523 1176 Y N 1.948 122.382 120.300 0.223 0.000 2.145 1176 Y HA -0.249 4.301 4.550 0.000 0.000 0.286 1176 Y C 2.231 178.280 175.900 0.249 0.000 1.145 1176 Y CA 2.394 60.637 58.100 0.237 0.000 1.148 1176 Y CB -0.355 38.251 38.460 0.244 0.000 0.981 1176 Y HN 0.472 nan 8.280 nan 0.000 0.507 1177 D N -0.793 119.642 120.400 0.058 0.000 2.084 1177 D HA -0.135 4.505 4.640 0.000 0.000 0.194 1177 D C -0.611 175.655 176.300 -0.057 0.000 0.990 1177 D CA 1.626 55.585 54.000 -0.068 0.000 0.826 1177 D CB -0.971 39.772 40.800 -0.095 0.000 0.971 1177 D HN 0.239 nan 8.370 nan 0.000 0.453 1178 P HA -0.104 nan 4.420 nan 0.000 0.215 1178 P C 1.573 178.923 177.300 0.083 0.000 1.157 1178 P CA 1.016 64.097 63.100 -0.031 0.000 0.868 1178 P CB -0.043 31.640 31.700 -0.028 0.000 0.788 1179 L N -2.514 118.786 121.223 0.127 0.000 2.012 1179 L HA -0.232 4.108 4.340 0.000 0.000 0.210 1179 L C 2.615 179.522 176.870 0.060 0.000 1.073 1179 L CA 1.762 56.664 54.840 0.105 0.000 0.748 1179 L CB -1.108 41.003 42.059 0.087 0.000 0.891 1179 L HN -0.025 nan 8.230 nan 0.000 0.431 1180 Y N 0.045 120.240 120.300 -0.175 0.000 2.145 1180 Y HA -0.311 4.239 4.550 0.000 0.000 0.286 1180 Y C 2.759 178.687 175.900 0.047 0.000 1.145 1180 Y CA 1.750 59.749 58.100 -0.168 0.000 1.148 1180 Y CB -0.416 37.768 38.460 -0.460 0.000 0.981 1180 Y HN 0.172 nan 8.280 nan 0.000 0.507 1181 C N 0.671 120.115 119.300 0.240 0.000 2.413 1181 C HA -0.207 4.253 4.460 0.000 0.000 0.277 1181 C C 2.531 177.786 174.990 0.441 0.000 1.228 1181 C CA 1.604 60.792 59.018 0.284 0.000 1.731 1181 C CB -1.148 26.626 27.740 0.057 0.000 2.042 1181 C HN 0.621 nan 8.230 nan 0.000 0.468 1182 E N 0.619 121.094 120.200 0.457 0.000 2.085 1182 E HA -0.221 4.129 4.350 0.000 0.000 0.194 1182 E C 2.278 179.093 176.600 0.358 0.000 0.994 1182 E CA 1.576 58.320 56.400 0.573 0.000 0.801 1182 E CB -0.322 29.585 29.700 0.346 0.000 0.743 1182 E HN 0.626 nan 8.360 nan 0.000 0.453 1183 S N 0.441 116.235 115.700 0.156 0.000 2.359 1183 S HA -0.192 4.279 4.470 0.000 0.000 0.222 1183 S C 2.178 176.783 174.600 0.008 0.000 1.038 1183 S CA 1.539 59.754 58.200 0.025 0.000 1.051 1183 S CB -0.403 62.731 63.200 -0.110 0.000 0.944 1183 S HN 0.125 nan 8.310 nan 0.000 0.433 1184 V N 1.597 121.498 119.914 -0.023 0.000 2.231 1184 V HA -0.211 3.909 4.120 0.000 0.000 0.250 1184 V C 1.997 178.148 176.094 0.096 0.000 1.058 1184 V CA 2.480 64.802 62.300 0.037 0.000 1.022 1184 V CB -1.189 30.763 31.823 0.215 0.000 0.640 1184 V HN 0.636 nan 8.190 nan 0.000 0.445 1185 H N 0.706 119.822 119.070 0.077 0.000 2.612 1185 H HA 0.156 4.712 4.556 0.000 0.000 0.285 1185 H C 1.098 176.303 175.328 -0.204 0.000 1.066 1185 H CA 0.065 56.089 56.048 -0.040 0.000 1.180 1185 H CB -0.952 28.811 29.762 0.002 0.000 1.312 1185 H HN 0.482 nan 8.280 nan 0.000 0.606 1186 N N -1.041 117.640 118.700 -0.032 0.000 2.778 1186 N HA -0.231 4.509 4.740 0.000 0.000 0.249 1186 N C -0.642 174.827 175.510 -0.070 0.000 1.069 1186 N CA 0.560 53.565 53.050 -0.075 0.000 0.831 1186 N CB -1.827 36.581 38.487 -0.130 0.000 1.142 1186 N HN 0.258 nan 8.380 nan 0.000 0.573 1187 F N 1.768 121.699 119.950 -0.032 0.000 2.607 1187 F HA -0.012 4.515 4.527 0.000 0.000 0.374 1187 F C 1.907 177.682 175.800 -0.041 0.000 1.104 1187 F CA 0.412 58.371 58.000 -0.067 0.000 1.296 1187 F CB 0.343 39.292 39.000 -0.085 0.000 1.085 1187 F HN -0.151 nan 8.300 nan 0.000 0.584 1188 T N 5.655 120.322 114.554 0.188 0.000 2.822 1188 T HA 0.139 4.489 4.350 0.000 0.000 0.288 1188 T C -0.219 174.527 174.700 0.078 0.000 0.991 1188 T CA -0.586 61.570 62.100 0.093 0.000 1.176 1188 T CB -0.421 68.489 68.868 0.070 0.000 0.951 1188 T HN 0.352 nan 8.240 nan 0.000 0.526 1189 L N 8.450 129.693 121.223 0.033 0.000 2.357 1189 L HA 0.523 4.863 4.340 0.000 0.000 0.273 1189 L C -1.551 175.274 176.870 -0.075 0.000 1.080 1189 L CA -2.024 52.806 54.840 -0.017 0.000 0.803 1189 L CB 0.909 42.945 42.059 -0.039 0.000 1.174 1189 L HN 0.593 nan 8.230 nan 0.000 0.443 1190 P HA 0.030 nan 4.420 nan 0.000 0.263 1190 P C 0.596 177.713 177.300 -0.305 0.000 1.195 1190 P CA 0.024 62.975 63.100 -0.248 0.000 0.762 1190 P CB 0.480 31.892 31.700 -0.481 0.000 0.799 1191 S N 2.822 118.476 115.700 -0.077 0.000 2.413 1191 S HA -0.190 4.280 4.470 0.000 0.000 0.237 1191 S C 1.397 176.026 174.600 0.048 0.000 1.044 1191 S CA 1.110 59.318 58.200 0.015 0.000 1.024 1191 S CB -1.143 62.119 63.200 0.104 0.000 0.829 1191 S HN 0.770 nan 8.310 nan 0.000 0.475 1192 W N 1.346 122.667 121.300 0.036 0.000 3.405 1192 W HA 0.689 5.349 4.660 0.000 0.000 0.300 1192 W C 0.199 176.746 176.519 0.047 0.000 1.286 1192 W CA -0.402 56.959 57.345 0.028 0.000 1.762 1192 W CB -0.544 28.912 29.460 -0.006 0.000 1.087 1192 W HN 0.370 nan 8.180 nan 0.000 0.703 1193 A N 2.880 125.479 122.820 -0.367 0.000 2.910 1193 A HA 0.412 4.732 4.320 0.000 0.000 0.316 1193 A C 0.498 178.047 177.584 -0.058 0.000 1.493 1193 A CA -0.036 51.815 52.037 -0.310 0.000 1.150 1193 A CB -0.648 18.074 19.000 -0.463 0.000 1.159 1193 A HN 0.187 nan 8.150 nan 0.000 0.526 1194 T N -1.972 112.619 114.554 0.061 0.000 2.918 1194 T HA 0.309 4.659 4.350 0.000 0.000 0.283 1194 T C 0.911 175.664 174.700 0.087 0.000 1.001 1194 T CA -0.076 62.069 62.100 0.076 0.000 1.041 1194 T CB 1.283 70.215 68.868 0.106 0.000 1.028 1194 T HN 0.576 nan 8.240 nan 0.000 0.511 1195 E N 0.360 120.601 120.200 0.068 0.000 2.187 1195 E HA -0.288 4.062 4.350 0.000 0.000 0.199 1195 E C 1.352 177.998 176.600 0.076 0.000 1.004 1195 E CA 1.906 58.348 56.400 0.069 0.000 0.813 1195 E CB -0.149 29.582 29.700 0.052 0.000 0.736 1195 E HN 0.872 nan 8.360 nan 0.000 0.468 1196 D N -1.344 119.103 120.400 0.079 0.000 2.234 1196 D HA -0.063 4.577 4.640 0.000 0.000 0.205 1196 D C 1.635 177.991 176.300 0.094 0.000 0.962 1196 D CA 1.381 55.422 54.000 0.068 0.000 0.855 1196 D CB 0.117 40.959 40.800 0.069 0.000 0.951 1196 D HN 0.072 nan 8.370 nan 0.000 0.500 1197 T N 0.103 114.764 114.554 0.178 0.000 2.770 1197 T HA -0.080 4.270 4.350 0.000 0.000 0.263 1197 T C 1.859 176.707 174.700 0.247 0.000 1.039 1197 T CA 0.732 63.020 62.100 0.314 0.000 1.142 1197 T CB -0.074 69.013 68.868 0.364 0.000 0.868 1197 T HN 0.127 nan 8.240 nan 0.000 0.435 1198 M N 1.494 121.214 119.600 0.199 0.000 2.108 1198 M HA -0.079 4.402 4.480 0.000 0.000 0.261 1198 M C 2.506 178.894 176.300 0.147 0.000 1.066 1198 M CA 1.568 57.017 55.300 0.248 0.000 1.107 1198 M CB -1.792 30.952 32.600 0.240 0.000 1.356 1198 M HN 0.239 nan 8.290 nan 0.000 0.406 1199 T N 0.588 115.180 114.554 0.062 0.000 2.788 1199 T HA -0.107 4.243 4.350 0.000 0.000 0.268 1199 T C 1.948 176.576 174.700 -0.121 0.000 1.044 1199 T CA 0.967 63.052 62.100 -0.025 0.000 1.139 1199 T CB -0.017 68.844 68.868 -0.012 0.000 0.867 1199 T HN 0.255 nan 8.240 nan 0.000 0.454 1200 K N 1.050 121.335 120.400 -0.192 0.000 2.057 1200 K HA 0.048 4.368 4.320 0.000 0.000 0.207 1200 K C 2.294 178.663 176.600 -0.385 0.000 1.049 1200 K CA 0.903 56.935 56.287 -0.425 0.000 0.931 1200 K CB -0.664 31.054 32.500 -1.302 0.000 0.714 1200 K HN 0.365 nan 8.250 nan 0.000 0.440 1201 L N 0.310 121.431 121.223 -0.170 0.000 1.973 1201 L HA -0.148 4.192 4.340 0.000 0.000 0.208 1201 L C 2.859 179.464 176.870 -0.442 0.000 1.073 1201 L CA 1.293 56.090 54.840 -0.071 0.000 0.746 1201 L CB -0.599 41.613 42.059 0.254 0.000 0.891 1201 L HN 0.181 nan 8.230 nan 0.000 0.433 1202 R N 0.705 120.771 120.500 -0.723 0.000 2.133 1202 R HA -0.251 4.089 4.340 0.000 0.000 0.245 1202 R C 2.116 178.022 176.300 -0.657 0.000 1.137 1202 R CA 2.310 57.733 56.100 -1.129 0.000 0.947 1202 R CB -0.302 29.604 30.300 -0.657 0.000 0.865 1202 R HN 0.422 nan 8.270 nan 0.000 0.437 1203 E N 0.247 120.183 120.200 -0.440 0.000 2.160 1203 E HA -0.218 4.132 4.350 0.000 0.000 0.195 1203 E C 2.136 178.447 176.600 -0.482 0.000 0.991 1203 E CA 1.243 57.417 56.400 -0.376 0.000 0.810 1203 E CB -0.142 29.401 29.700 -0.262 0.000 0.742 1203 E HN 0.449 nan 8.360 nan 0.000 0.466 1204 L N 0.594 121.493 121.223 -0.541 0.000 2.156 1204 L HA -0.112 4.228 4.340 0.000 0.000 0.208 1204 L C 2.352 179.006 176.870 -0.361 0.000 1.095 1204 L CA 0.648 55.206 54.840 -0.470 0.000 0.770 1204 L CB 0.000 41.855 42.059 -0.341 0.000 0.914 1204 L HN 0.058 nan 8.230 nan 0.000 0.439 1205 S N -0.407 114.993 115.700 -0.501 0.000 2.383 1205 S HA -0.168 4.302 4.470 0.000 0.000 0.227 1205 S C 1.695 175.829 174.600 -0.776 0.000 1.026 1205 S CA 1.068 58.815 58.200 -0.756 0.000 0.981 1205 S CB -0.095 62.452 63.200 -1.089 0.000 0.818 1205 S HN 0.444 nan 8.310 nan 0.000 0.472 1206 E N 0.948 120.810 120.200 -0.563 0.000 2.051 1206 E HA -0.147 4.203 4.350 0.000 0.000 0.192 1206 E C 2.061 178.511 176.600 -0.251 0.000 0.991 1206 E CA 1.051 57.224 56.400 -0.377 0.000 0.799 1206 E CB -0.275 29.250 29.700 -0.292 0.000 0.748 1206 E HN 0.272 nan 8.360 nan 0.000 0.449 1207 L N 0.636 121.724 121.223 -0.224 0.000 2.191 1207 L HA -0.133 4.207 4.340 0.000 0.000 0.212 1207 L C 2.204 179.057 176.870 -0.029 0.000 1.103 1207 L CA 1.656 56.444 54.840 -0.085 0.000 0.769 1207 L CB -0.451 41.556 42.059 -0.087 0.000 0.908 1207 L HN -0.021 nan 8.230 nan 0.000 0.438 1208 S N -1.069 114.565 115.700 -0.110 0.000 2.335 1208 S HA -0.119 4.351 4.470 0.000 0.000 0.217 1208 S C 1.945 176.490 174.600 -0.092 0.000 1.032 1208 S CA 1.249 59.430 58.200 -0.033 0.000 0.985 1208 S CB -0.496 62.751 63.200 0.077 0.000 0.896 1208 S HN 0.438 nan 8.310 nan 0.000 0.445 1209 L N 2.420 123.497 121.223 -0.243 0.000 1.989 1209 L HA -0.002 4.339 4.340 0.000 0.000 0.211 1209 L C 2.278 179.072 176.870 -0.127 0.000 1.071 1209 L CA 1.734 56.459 54.840 -0.192 0.000 0.749 1209 L CB -0.895 40.987 42.059 -0.294 0.000 0.890 1209 L HN 0.413 nan 8.230 nan 0.000 0.431 1210 L N -0.497 120.711 121.223 -0.025 0.000 2.137 1210 L HA -0.220 4.120 4.340 0.000 0.000 0.213 1210 L C 2.443 179.320 176.870 0.013 0.000 1.085 1210 L CA 2.473 57.364 54.840 0.085 0.000 0.760 1210 L CB -1.079 41.025 42.059 0.075 0.000 0.893 1210 L HN 0.727 nan 8.230 nan 0.000 0.434 1211 S N -1.534 114.129 115.700 -0.063 0.000 2.558 1211 S HA -0.056 4.414 4.470 0.000 0.000 0.217 1211 S C 1.989 176.473 174.600 -0.194 0.000 0.975 1211 S CA 0.136 58.263 58.200 -0.121 0.000 0.912 1211 S CB -0.246 62.800 63.200 -0.256 0.000 0.776 1211 S HN 0.519 nan 8.310 nan 0.000 0.526 1212 L N -0.338 120.719 121.223 -0.277 0.000 2.027 1212 L HA -0.001 4.339 4.340 0.000 0.000 0.206 1212 L C 1.709 178.330 176.870 -0.414 0.000 1.074 1212 L CA 1.657 56.224 54.840 -0.455 0.000 0.745 1212 L CB -0.158 41.440 42.059 -0.768 0.000 0.898 1212 L HN 0.446 nan 8.230 nan 0.000 0.433 1213 Y N -1.977 118.284 120.300 -0.065 0.000 2.462 1213 Y HA 0.285 4.835 4.550 0.000 0.000 0.253 1213 Y C 1.328 177.204 175.900 -0.041 0.000 1.095 1213 Y CA -0.211 57.850 58.100 -0.065 0.000 1.283 1213 Y CB 0.458 38.856 38.460 -0.103 0.000 1.138 1213 Y HN 0.107 nan 8.280 nan 0.000 0.522 1214 G N -0.679 108.182 108.800 0.102 0.000 3.211 1214 G HA2 0.468 4.428 3.960 0.000 0.000 0.167 1214 G HA3 0.468 4.428 3.960 0.000 0.000 0.167 1214 G C 0.260 175.196 174.900 0.060 0.000 1.212 1214 G CA 0.050 45.198 45.100 0.080 0.000 0.928 1214 G HN -0.035 nan 8.290 nan 0.000 0.607 1215 I N -0.726 119.891 120.570 0.079 0.000 4.833 1215 I HA -0.234 3.936 4.170 0.000 0.000 0.040 1215 I C 0.452 176.652 176.117 0.139 0.000 0.633 1215 I CA 2.186 63.551 61.300 0.109 0.000 0.488 1215 I CB -1.639 36.429 38.000 0.114 0.000 0.496 1215 I HN 0.765 nan 8.210 nan 0.000 0.152 1216 H N 3.888 122.972 119.070 0.023 0.000 2.481 1216 H HA 0.474 5.031 4.556 0.000 0.000 0.333 1216 H C 0.196 175.531 175.328 0.012 0.000 1.066 1216 H CA -0.179 55.881 56.048 0.019 0.000 1.209 1216 H CB 0.966 30.736 29.762 0.014 0.000 1.445 1216 H HN 0.208 nan 8.280 nan 0.000 0.488 1217 K N 3.456 123.580 120.400 -0.461 0.000 3.148 1217 K HA -0.340 3.980 4.320 0.000 0.000 0.267 1217 K C 1.294 177.805 176.600 -0.149 0.000 0.996 1217 K CA 0.964 57.031 56.287 -0.367 0.000 0.737 1217 K CB -0.711 31.462 32.500 -0.545 0.000 1.308 1217 K HN 0.879 nan 8.250 nan 0.000 0.470 1218 Q N 1.481 121.239 119.800 -0.071 0.000 1.998 1218 Q HA -0.306 4.034 4.340 0.000 0.000 0.209 1218 Q C 1.602 177.590 176.000 -0.021 0.000 1.002 1218 Q CA 2.278 58.072 55.803 -0.014 0.000 0.858 1218 Q CB 0.047 28.789 28.738 0.007 0.000 0.932 1218 Q HN 0.329 nan 8.270 nan 0.000 0.416 1219 K N 0.734 121.114 120.400 -0.033 0.000 2.000 1219 K HA -0.249 4.071 4.320 0.000 0.000 0.218 1219 K C 1.927 178.511 176.600 -0.027 0.000 1.053 1219 K CA 2.145 58.413 56.287 -0.031 0.000 0.946 1219 K CB -0.555 31.924 32.500 -0.035 0.000 0.723 1219 K HN 0.406 nan 8.250 nan 0.000 0.446 1220 E N 0.434 120.608 120.200 -0.043 0.000 2.108 1220 E HA -0.290 4.060 4.350 0.000 0.000 0.203 1220 E C 1.749 178.341 176.600 -0.013 0.000 1.022 1220 E CA 1.890 58.267 56.400 -0.038 0.000 0.823 1220 E CB 0.039 29.697 29.700 -0.069 0.000 0.744 1220 E HN 0.225 nan 8.360 nan 0.000 0.456 1221 K N -0.156 120.239 120.400 -0.007 0.000 2.002 1221 K HA -0.102 4.218 4.320 0.000 0.000 0.209 1221 K C 2.398 179.039 176.600 0.068 0.000 1.048 1221 K CA 1.423 57.735 56.287 0.042 0.000 0.930 1221 K CB -0.202 32.336 32.500 0.064 0.000 0.714 1221 K HN -0.002 nan 8.250 nan 0.000 0.438 1222 S N 1.125 116.844 115.700 0.032 0.000 2.389 1222 S HA -0.227 4.244 4.470 0.000 0.000 0.231 1222 S C 1.797 176.423 174.600 0.043 0.000 1.052 1222 S CA 1.553 59.752 58.200 -0.001 0.000 1.053 1222 S CB -0.336 62.843 63.200 -0.036 0.000 0.886 1222 S HN 0.297 nan 8.310 nan 0.000 0.456 1223 R N 0.562 121.094 120.500 0.054 0.000 2.117 1223 R HA -0.062 4.278 4.340 0.000 0.000 0.243 1223 R C 1.921 178.343 176.300 0.203 0.000 1.143 1223 R CA 1.242 57.398 56.100 0.092 0.000 0.968 1223 R CB -0.470 29.864 30.300 0.056 0.000 0.863 1223 R HN 0.423 nan 8.270 nan 0.000 0.444 1224 L N -0.243 121.113 121.223 0.221 0.000 2.529 1224 L HA 0.011 4.351 4.340 0.000 0.000 0.223 1224 L C 1.623 178.847 176.870 0.591 0.000 1.113 1224 L CA 0.300 55.393 54.840 0.421 0.000 0.861 1224 L CB -0.052 42.137 42.059 0.215 0.000 1.012 1224 L HN 0.149 nan 8.230 nan 0.000 0.461 1225 Q N -0.400 119.588 119.800 0.314 0.000 2.489 1225 Q HA 0.252 4.592 4.340 0.000 0.000 0.202 1225 Q C 1.913 177.896 176.000 -0.029 0.000 0.853 1225 Q CA 0.665 56.566 55.803 0.163 0.000 0.539 1225 Q CB -0.946 27.839 28.738 0.078 0.000 3.308 1225 Q HN 0.108 nan 8.270 nan 0.000 0.362 1226 G N 1.007 109.653 108.800 -0.258 0.000 2.507 1226 G HA2 -0.275 3.685 3.960 0.000 0.000 0.221 1226 G HA3 -0.275 3.685 3.960 0.000 0.000 0.221 1226 G C 1.322 176.146 174.900 -0.127 0.000 1.119 1226 G CA 1.424 46.344 45.100 -0.299 0.000 0.751 1226 G HN 0.469 nan 8.290 nan 0.000 0.574 1227 G N 0.491 109.263 108.800 -0.047 0.000 2.469 1227 G HA2 -0.207 3.753 3.960 0.000 0.000 0.219 1227 G HA3 -0.207 3.753 3.960 0.000 0.000 0.219 1227 G C 1.791 176.714 174.900 0.039 0.000 1.150 1227 G CA 1.303 46.406 45.100 0.005 0.000 0.763 1227 G HN 0.358 nan 8.290 nan 0.000 0.561 1228 V N 0.884 120.853 119.914 0.091 0.000 2.282 1228 V HA -0.215 3.905 4.120 0.000 0.000 0.249 1228 V C 2.700 178.818 176.094 0.041 0.000 1.057 1228 V CA 1.910 64.257 62.300 0.078 0.000 1.032 1228 V CB -0.634 31.272 31.823 0.138 0.000 0.645 1228 V HN 0.396 nan 8.190 nan 0.000 0.447 1229 L N 0.080 121.315 121.223 0.020 0.000 2.017 1229 L HA -0.100 4.240 4.340 0.000 0.000 0.208 1229 L C 2.398 179.250 176.870 -0.030 0.000 1.073 1229 L CA 1.801 56.613 54.840 -0.047 0.000 0.745 1229 L CB -0.787 41.200 42.059 -0.119 0.000 0.894 1229 L HN 0.122 nan 8.230 nan 0.000 0.432 1230 V N 0.704 120.610 119.914 -0.014 0.000 2.277 1230 V HA -0.438 3.682 4.120 0.000 0.000 0.253 1230 V C 2.543 178.687 176.094 0.082 0.000 1.067 1230 V CA 2.400 64.724 62.300 0.042 0.000 1.047 1230 V CB -1.116 30.723 31.823 0.026 0.000 0.649 1230 V HN 0.740 nan 8.190 nan 0.000 0.447 1231 N N -0.357 118.376 118.700 0.055 0.000 2.084 1231 N HA -0.277 4.463 4.740 0.000 0.000 0.190 1231 N C 1.967 177.508 175.510 0.051 0.000 1.030 1231 N CA 1.552 54.634 53.050 0.052 0.000 0.849 1231 N CB -0.019 38.486 38.487 0.030 0.000 1.012 1231 N HN 0.609 nan 8.380 nan 0.000 0.423 1232 E N 1.007 121.237 120.200 0.050 0.000 2.065 1232 E HA -0.202 4.149 4.350 0.000 0.000 0.201 1232 E C 1.876 178.598 176.600 0.203 0.000 1.016 1232 E CA 1.739 58.190 56.400 0.085 0.000 0.818 1232 E CB -0.311 29.442 29.700 0.088 0.000 0.749 1232 E HN 0.524 nan 8.360 nan 0.000 0.453 1233 I N -0.065 120.626 120.570 0.202 0.000 2.252 1233 I HA -0.173 3.997 4.170 0.000 0.000 0.245 1233 I C 2.299 178.546 176.117 0.218 0.000 1.102 1233 I CA 0.535 62.006 61.300 0.285 0.000 1.385 1233 I CB -0.336 37.788 38.000 0.206 0.000 1.064 1233 I HN 0.226 nan 8.210 nan 0.000 0.414 1234 L N 1.392 122.709 121.223 0.156 0.000 2.017 1234 L HA -0.209 4.131 4.340 0.000 0.000 0.208 1234 L C 2.091 178.971 176.870 0.016 0.000 1.073 1234 L CA 1.989 56.898 54.840 0.115 0.000 0.745 1234 L CB -1.067 41.087 42.059 0.159 0.000 0.894 1234 L HN 0.190 nan 8.230 nan 0.000 0.432 1235 N N -0.953 117.738 118.700 -0.015 0.000 2.084 1235 N HA -0.188 4.552 4.740 0.000 0.000 0.190 1235 N C 1.902 177.294 175.510 -0.197 0.000 1.030 1235 N CA 1.575 54.555 53.050 -0.118 0.000 0.849 1235 N CB -0.580 37.818 38.487 -0.148 0.000 1.012 1235 N HN 0.482 nan 8.380 nan 0.000 0.423 1236 H N 0.451 119.468 119.070 -0.088 0.000 2.319 1236 H HA -0.048 4.509 4.556 0.000 0.000 0.297 1236 H C 2.110 177.013 175.328 -0.708 0.000 1.097 1236 H CA 1.328 57.226 56.048 -0.251 0.000 1.285 1236 H CB -0.245 29.561 29.762 0.073 0.000 1.368 1236 H HN 0.261 nan 8.280 nan 0.000 0.495 1237 M N 0.239 119.673 119.600 -0.276 0.000 2.108 1237 M HA -0.187 4.293 4.480 0.000 0.000 0.261 1237 M C 2.460 178.513 176.300 -0.413 0.000 1.066 1237 M CA 1.453 56.563 55.300 -0.316 0.000 1.107 1237 M CB -0.253 32.293 32.600 -0.090 0.000 1.356 1237 M HN 0.098 nan 8.290 nan 0.000 0.406 1238 K N 0.019 120.227 120.400 -0.320 0.000 2.097 1238 K HA -0.136 4.184 4.320 0.000 0.000 0.206 1238 K C 2.092 178.439 176.600 -0.421 0.000 1.049 1238 K CA 1.247 57.347 56.287 -0.311 0.000 0.933 1238 K CB 0.057 32.440 32.500 -0.195 0.000 0.717 1238 K HN 0.209 nan 8.250 nan 0.000 0.442 1239 R N -0.378 119.803 120.500 -0.532 0.000 2.075 1239 R HA -0.047 4.293 4.340 0.000 0.000 0.232 1239 R C 2.139 177.899 176.300 -0.901 0.000 1.126 1239 R CA 1.133 56.829 56.100 -0.672 0.000 0.963 1239 R CB -0.204 29.643 30.300 -0.755 0.000 0.858 1239 R HN 0.184 nan 8.270 nan 0.000 0.435 1240 A N -0.367 121.776 122.820 -1.127 0.000 2.178 1240 A HA -0.119 4.201 4.320 0.000 0.000 0.218 1240 A C 1.947 179.216 177.584 -0.524 0.000 1.157 1240 A CA 1.561 53.099 52.037 -0.831 0.000 0.689 1240 A CB -0.356 18.239 19.000 -0.675 0.000 0.787 1240 A HN 0.241 nan 8.150 nan 0.000 0.465 1241 T N -1.716 112.478 114.554 -0.600 0.000 3.009 1241 T HA 0.004 4.355 4.350 0.000 0.000 0.258 1241 T C 1.914 176.395 174.700 -0.366 0.000 1.063 1241 T CA 1.312 63.017 62.100 -0.658 0.000 1.139 1241 T CB -0.008 68.374 68.868 -0.811 0.000 0.890 1241 T HN 0.653 nan 8.240 nan 0.000 0.471 1242 Q N -0.483 119.130 119.800 -0.312 0.000 2.392 1242 Q HA 0.274 4.614 4.340 0.000 0.000 0.219 1242 Q C -0.081 175.831 176.000 -0.147 0.000 0.895 1242 Q CA 0.157 55.845 55.803 -0.192 0.000 0.929 1242 Q CB 0.518 29.156 28.738 -0.167 0.000 1.077 1242 Q HN 0.422 nan 8.270 nan 0.000 0.532 1243 I N 2.867 123.329 120.570 -0.181 0.000 2.339 1243 I HA 0.318 4.488 4.170 0.000 0.000 0.290 1243 I C -2.125 173.977 176.117 -0.026 0.000 0.994 1243 I CA -2.347 58.909 61.300 -0.073 0.000 1.191 1243 I CB 1.599 39.610 38.000 0.018 0.000 1.343 1243 I HN 0.046 nan 8.210 nan 0.000 0.458 1244 P HA -0.040 nan 4.420 nan 0.000 0.274 1244 P C 0.409 177.735 177.300 0.043 0.000 1.264 1244 P CA -0.222 62.880 63.100 0.004 0.000 0.795 1244 P CB 0.363 32.059 31.700 -0.006 0.000 1.064 1245 S N -1.269 114.448 115.700 0.028 0.000 3.228 1245 S HA -0.253 4.217 4.470 0.000 0.000 0.352 1245 S C 0.219 174.857 174.600 0.064 0.000 0.856 1245 S CA 0.314 58.529 58.200 0.025 0.000 1.263 1245 S CB -1.874 61.318 63.200 -0.014 0.000 0.842 1245 S HN 0.376 nan 8.310 nan 0.000 0.446 1246 Y N 0.845 121.123 120.300 -0.037 0.000 2.282 1246 Y HA 0.498 5.048 4.550 0.000 0.000 0.335 1246 Y C 0.799 176.709 175.900 0.016 0.000 1.335 1246 Y CA -0.460 57.622 58.100 -0.030 0.000 1.529 1246 Y CB 0.394 38.814 38.460 -0.067 0.000 1.429 1246 Y HN 0.252 nan 8.280 nan 0.000 0.563 1247 K N 1.155 121.500 120.400 -0.091 0.000 2.286 1247 K HA 0.026 4.346 4.320 0.000 0.000 0.256 1247 K C 0.606 177.435 176.600 0.381 0.000 0.999 1247 K CA 0.302 56.631 56.287 0.071 0.000 0.908 1247 K CB 0.478 32.990 32.500 0.020 0.000 0.981 1247 K HN 0.550 nan 8.250 nan 0.000 0.500 1248 K N 0.430 120.955 120.400 0.210 0.000 2.286 1248 K HA 0.142 4.462 4.320 0.000 0.000 0.203 1248 K C -0.183 176.521 176.600 0.173 0.000 1.078 1248 K CA 0.225 56.621 56.287 0.182 0.000 0.957 1248 K CB 0.213 32.550 32.500 -0.271 0.000 1.018 1248 K HN 0.327 nan 8.250 nan 0.000 0.484 1249 L N 1.012 122.263 121.223 0.046 0.000 2.408 1249 L HA 0.502 4.842 4.340 0.000 0.000 0.268 1249 L C -1.472 175.357 176.870 -0.068 0.000 0.986 1249 L CA -0.490 54.302 54.840 -0.080 0.000 0.820 1249 L CB 1.700 43.802 42.059 0.072 0.000 1.303 1249 L HN -0.023 nan 8.230 nan 0.000 0.411 1250 I N 5.640 126.088 120.570 -0.203 0.000 2.439 1250 I HA 0.393 4.563 4.170 0.000 0.000 0.283 1250 I C -0.686 175.292 176.117 -0.232 0.000 1.023 1250 I CA -0.391 60.816 61.300 -0.156 0.000 1.100 1250 I CB 1.799 39.710 38.000 -0.148 0.000 1.238 1250 I HN 0.592 nan 8.210 nan 0.000 0.445 1251 M N 6.162 125.617 119.600 -0.241 0.000 2.157 1251 M HA 0.397 4.877 4.480 0.000 0.000 0.354 1251 M C -1.372 174.608 176.300 -0.533 0.000 1.170 1251 M CA -0.383 54.757 55.300 -0.268 0.000 1.060 1251 M CB 1.057 33.640 32.600 -0.029 0.000 1.615 1251 M HN 0.327 nan 8.290 nan 0.000 0.460 1252 Y N 1.011 121.142 120.300 -0.281 0.000 2.331 1252 Y HA 0.325 4.875 4.550 0.000 0.000 0.338 1252 Y C 0.332 175.912 175.900 -0.534 0.000 0.976 1252 Y CA -0.481 57.473 58.100 -0.244 0.000 1.137 1252 Y CB 1.664 40.059 38.460 -0.108 0.000 1.172 1252 Y HN 0.520 nan 8.280 nan 0.000 0.478 1253 S N 3.426 119.029 115.700 -0.161 0.000 2.528 1253 S HA 0.825 5.295 4.470 0.000 0.000 0.303 1253 S C -0.339 174.307 174.600 0.077 0.000 1.123 1253 S CA -0.168 58.026 58.200 -0.011 0.000 1.138 1253 S CB -0.382 62.950 63.200 0.219 0.000 0.984 1253 S HN 0.821 nan 8.310 nan 0.000 0.474 1254 A N 4.467 127.328 122.820 0.069 0.000 3.822 1254 A HA 0.787 5.107 4.320 0.000 0.000 0.181 1254 A C -0.438 177.028 177.584 -0.196 0.000 0.902 1254 A CA -0.669 51.334 52.037 -0.056 0.000 0.825 1254 A CB 0.565 19.634 19.000 0.116 0.000 1.447 1254 A HN 0.835 nan 8.150 nan 0.000 0.732 1255 H N -0.702 118.464 119.070 0.161 0.000 2.810 1255 H HA 0.268 4.824 4.556 0.000 0.000 0.316 1255 H C -0.244 175.132 175.328 0.079 0.000 1.426 1255 H CA 0.144 56.267 56.048 0.124 0.000 1.413 1255 H CB 0.591 30.415 29.762 0.104 0.000 1.874 1255 H HN 0.722 nan 8.280 nan 0.000 0.737 1256 D N -0.542 119.994 120.400 0.227 0.000 2.317 1256 D HA -0.118 4.522 4.640 0.000 0.000 0.211 1256 D C 1.438 177.841 176.300 0.172 0.000 0.966 1256 D CA 1.021 55.135 54.000 0.190 0.000 0.876 1256 D CB -0.599 40.335 40.800 0.223 0.000 0.927 1256 D HN 0.544 nan 8.370 nan 0.000 0.519 1257 T N -3.567 111.090 114.554 0.172 0.000 3.088 1257 T HA 0.016 4.366 4.350 0.000 0.000 0.259 1257 T C 1.698 176.440 174.700 0.069 0.000 1.122 1257 T CA 0.844 63.035 62.100 0.151 0.000 1.095 1257 T CB -0.252 68.658 68.868 0.070 0.000 0.930 1257 T HN 0.063 nan 8.240 nan 0.000 0.508 1258 T N 1.722 116.301 114.554 0.042 0.000 2.901 1258 T HA 0.092 4.442 4.350 0.000 0.000 0.252 1258 T C 2.168 176.809 174.700 -0.099 0.000 1.035 1258 T CA 0.563 62.641 62.100 -0.038 0.000 1.142 1258 T CB -0.415 68.483 68.868 0.050 0.000 0.869 1258 T HN 0.190 nan 8.240 nan 0.000 0.442 1259 V N 2.796 122.695 119.914 -0.026 0.000 2.343 1259 V HA -0.183 3.937 4.120 0.000 0.000 0.247 1259 V C 2.901 178.859 176.094 -0.226 0.000 1.051 1259 V CA 2.174 64.436 62.300 -0.064 0.000 1.036 1259 V CB -0.935 30.945 31.823 0.095 0.000 0.654 1259 V HN 0.661 nan 8.190 nan 0.000 0.451 1260 S N 0.542 116.094 115.700 -0.247 0.000 2.414 1260 S HA -0.028 4.442 4.470 0.000 0.000 0.227 1260 S C 2.086 176.322 174.600 -0.606 0.000 1.022 1260 S CA 1.123 58.971 58.200 -0.587 0.000 0.958 1260 S CB -0.638 62.135 63.200 -0.710 0.000 0.797 1260 S HN 0.517 nan 8.310 nan 0.000 0.493 1261 G N 1.930 110.364 108.800 -0.611 0.000 2.408 1261 G HA2 -0.075 3.886 3.960 0.000 0.000 0.217 1261 G HA3 -0.075 3.886 3.960 0.000 0.000 0.217 1261 G C 1.378 175.878 174.900 -0.667 0.000 1.150 1261 G CA 0.948 45.334 45.100 -1.190 0.000 0.776 1261 G HN 0.477 nan 8.290 nan 0.000 0.542 1262 L N 0.293 121.240 121.223 -0.461 0.000 2.056 1262 L HA 0.031 4.372 4.340 0.000 0.000 0.207 1262 L C 2.741 179.394 176.870 -0.362 0.000 1.078 1262 L CA 1.940 56.564 54.840 -0.360 0.000 0.749 1262 L CB -0.672 41.188 42.059 -0.332 0.000 0.901 1262 L HN 0.292 nan 8.230 nan 0.000 0.433 1263 Q N -1.456 118.102 119.800 -0.403 0.000 2.119 1263 Q HA -0.141 4.199 4.340 0.000 0.000 0.201 1263 Q C 2.149 178.050 176.000 -0.164 0.000 0.972 1263 Q CA 1.462 57.089 55.803 -0.295 0.000 0.847 1263 Q CB -0.147 28.437 28.738 -0.255 0.000 0.903 1263 Q HN 0.468 nan 8.270 nan 0.000 0.433 1264 M N -0.057 119.407 119.600 -0.227 0.000 2.117 1264 M HA -0.114 4.366 4.480 0.000 0.000 0.262 1264 M C 2.279 178.506 176.300 -0.123 0.000 1.065 1264 M CA 1.364 56.592 55.300 -0.120 0.000 1.114 1264 M CB -0.929 31.575 32.600 -0.160 0.000 1.361 1264 M HN 0.227 nan 8.290 nan 0.000 0.408 1265 A N -0.090 122.611 122.820 -0.198 0.000 1.930 1265 A HA -0.086 4.235 4.320 0.000 0.000 0.217 1265 A C 2.170 179.689 177.584 -0.107 0.000 1.175 1265 A CA 1.128 53.078 52.037 -0.145 0.000 0.627 1265 A CB -0.778 18.122 19.000 -0.166 0.000 0.815 1265 A HN 0.479 nan 8.150 nan 0.000 0.443 1266 L N -1.515 119.641 121.223 -0.113 0.000 2.478 1266 L HA -0.011 4.329 4.340 0.000 0.000 0.223 1266 L C 0.505 177.335 176.870 -0.067 0.000 1.140 1266 L CA 0.795 55.583 54.840 -0.087 0.000 0.842 1266 L CB -0.299 41.733 42.059 -0.045 0.000 0.953 1266 L HN 0.494 nan 8.230 nan 0.000 0.452 1267 D N -0.872 119.497 120.400 -0.051 0.000 2.873 1267 D HA -0.145 4.495 4.640 0.000 0.000 0.228 1267 D C 0.528 176.831 176.300 0.004 0.000 1.122 1267 D CA 0.773 54.762 54.000 -0.018 0.000 0.758 1267 D CB -0.720 40.062 40.800 -0.030 0.000 1.094 1267 D HN 0.190 nan 8.370 nan 0.000 0.434 1268 V N -2.175 117.748 119.914 0.014 0.000 3.337 1268 V HA 0.372 4.492 4.120 0.000 0.000 0.307 1268 V C 0.357 176.481 176.094 0.051 0.000 1.505 1268 V CA -0.604 61.714 62.300 0.030 0.000 1.072 1268 V CB -0.203 31.644 31.823 0.040 0.000 0.929 1268 V HN 0.231 nan 8.190 nan 0.000 0.455 1269 Y N 4.662 124.906 120.300 -0.094 0.000 2.526 1269 Y HA 0.332 4.882 4.550 0.000 0.000 0.330 1269 Y C 1.304 177.175 175.900 -0.047 0.000 1.156 1269 Y CA -0.198 57.841 58.100 -0.101 0.000 1.419 1269 Y CB 0.957 39.371 38.460 -0.077 0.000 1.250 1269 Y HN 0.569 nan 8.280 nan 0.000 0.540 1270 N N 3.346 121.834 118.700 -0.353 0.000 2.362 1270 N HA 0.097 4.838 4.740 0.000 0.000 0.204 1270 N C 1.304 176.454 175.510 -0.600 0.000 1.166 1270 N CA 0.492 53.340 53.050 -0.338 0.000 0.831 1270 N CB -0.311 38.095 38.487 -0.136 0.000 1.008 1270 N HN 0.958 nan 8.380 nan 0.000 0.472 1271 G N -0.137 107.886 108.800 -1.296 0.000 2.228 1271 G HA2 -0.314 3.646 3.960 0.000 0.000 0.270 1271 G HA3 -0.314 3.646 3.960 0.000 0.000 0.270 1271 G C -0.113 174.392 174.900 -0.659 0.000 0.976 1271 G CA 0.786 45.284 45.100 -1.003 0.000 0.636 1271 G HN 0.416 nan 8.290 nan 0.000 0.542 1272 L N 0.582 121.481 121.223 -0.540 0.000 2.375 1272 L HA 0.475 4.816 4.340 0.000 0.000 0.271 1272 L C 1.228 178.092 176.870 -0.009 0.000 1.107 1272 L CA -1.033 53.683 54.840 -0.206 0.000 0.806 1272 L CB 1.085 43.067 42.059 -0.129 0.000 1.146 1272 L HN -0.005 nan 8.230 nan 0.000 0.447 1273 L N 3.800 125.008 121.223 -0.025 0.000 2.534 1273 L HA 0.115 4.455 4.340 0.000 0.000 0.271 1273 L C -1.923 175.005 176.870 0.096 0.000 1.178 1273 L CA -1.623 53.237 54.840 0.033 0.000 0.907 1273 L CB 0.063 42.071 42.059 -0.084 0.000 1.164 1273 L HN 0.294 nan 8.230 nan 0.000 0.482 1274 P HA 0.026 nan 4.420 nan 0.000 0.261 1274 P C -2.325 175.025 177.300 0.083 0.000 1.183 1274 P CA -0.552 62.686 63.100 0.230 0.000 0.761 1274 P CB 0.068 31.929 31.700 0.268 0.000 0.785 1275 P HA 0.087 nan 4.420 nan 0.000 0.274 1275 P C -0.528 176.799 177.300 0.044 0.000 1.246 1275 P CA -0.305 62.776 63.100 -0.033 0.000 0.795 1275 P CB 0.338 32.025 31.700 -0.021 0.000 1.006 1276 Y N 0.172 120.531 120.300 0.098 0.000 2.702 1276 Y HA 0.109 4.659 4.550 0.000 0.000 0.336 1276 Y C 1.763 177.708 175.900 0.074 0.000 1.235 1276 Y CA 0.299 58.464 58.100 0.108 0.000 1.492 1276 Y CB -0.130 38.434 38.460 0.174 0.000 1.308 1276 Y HN 0.587 nan 8.280 nan 0.000 0.589 1277 A N 1.620 124.606 122.820 0.276 0.000 2.799 1277 A HA -0.269 4.052 4.320 0.000 0.000 0.274 1277 A C 0.769 178.368 177.584 0.024 0.000 1.393 1277 A CA 0.748 52.819 52.037 0.057 0.000 0.909 1277 A CB -2.364 16.537 19.000 -0.166 0.000 1.012 1277 A HN 0.834 nan 8.150 nan 0.000 0.653 1278 S N -1.393 114.381 115.700 0.123 0.000 2.572 1278 S HA 0.439 4.909 4.470 0.000 0.000 0.279 1278 S C 0.155 174.914 174.600 0.265 0.000 1.341 1278 S CA 0.030 58.292 58.200 0.102 0.000 1.043 1278 S CB 1.467 64.724 63.200 0.095 0.000 0.887 1278 S HN 1.730 nan 8.310 nan 0.000 0.516 1279 C N 3.574 123.044 119.300 0.284 0.000 2.381 1279 C HA 0.550 5.010 4.460 0.000 0.000 0.328 1279 C C -0.536 174.771 174.990 0.528 0.000 1.190 1279 C CA -0.633 58.646 59.018 0.435 0.000 1.369 1279 C CB -0.333 27.626 27.740 0.364 0.000 2.029 1279 C HN 1.130 nan 8.230 nan 0.000 0.448 1280 H N 6.211 125.548 119.070 0.445 0.000 2.652 1280 H HA 0.617 5.174 4.556 0.000 0.000 0.298 1280 H C -0.430 175.079 175.328 0.302 0.000 1.076 1280 H CA -0.099 56.171 56.048 0.371 0.000 1.360 1280 H CB 0.588 30.455 29.762 0.175 0.000 1.421 1280 H HN 0.773 nan 8.280 nan 0.000 0.464 1281 L N 3.028 124.172 121.223 -0.132 0.000 2.341 1281 L HA 0.656 4.996 4.340 0.000 0.000 0.278 1281 L C -0.983 175.812 176.870 -0.126 0.000 1.005 1281 L CA -0.953 53.864 54.840 -0.038 0.000 0.818 1281 L CB 2.151 44.314 42.059 0.172 0.000 1.259 1281 L HN 0.481 nan 8.230 nan 0.000 0.418 1282 T N 1.425 115.949 114.554 -0.051 0.000 2.792 1282 T HA 0.476 4.826 4.350 0.000 0.000 0.280 1282 T C -0.575 174.129 174.700 0.006 0.000 0.990 1282 T CA -0.455 61.652 62.100 0.013 0.000 0.960 1282 T CB 1.673 70.578 68.868 0.061 0.000 0.939 1282 T HN 0.660 nan 8.240 nan 0.000 0.439 1283 E N 1.762 121.989 120.200 0.046 0.000 2.210 1283 E HA 0.477 4.828 4.350 0.000 0.000 0.266 1283 E C -1.200 175.325 176.600 -0.125 0.000 0.883 1283 E CA -0.922 55.404 56.400 -0.124 0.000 0.761 1283 E CB 2.087 31.710 29.700 -0.129 0.000 1.156 1283 E HN 0.303 nan 8.360 nan 0.000 0.412 1284 L N 4.203 125.304 121.223 -0.204 0.000 2.262 1284 L HA 0.368 4.709 4.340 0.000 0.000 0.288 1284 L C -1.707 175.105 176.870 -0.096 0.000 1.035 1284 L CA -0.175 54.653 54.840 -0.021 0.000 0.820 1284 L CB -0.075 42.045 42.059 0.103 0.000 1.204 1284 L HN 0.443 nan 8.230 nan 0.000 0.424 1285 Y N 4.602 125.045 120.300 0.239 0.000 2.420 1285 Y HA 0.519 5.069 4.550 0.000 0.000 0.334 1285 Y C -0.491 175.612 175.900 0.338 0.000 1.094 1285 Y CA -0.294 57.948 58.100 0.236 0.000 1.126 1285 Y CB 1.659 40.204 38.460 0.142 0.000 1.217 1285 Y HN 0.553 nan 8.280 nan 0.000 0.462 1286 F N 2.180 122.262 119.950 0.220 0.000 2.495 1286 F HA 0.537 5.064 4.527 0.000 0.000 0.327 1286 F C -0.219 175.582 175.800 0.001 0.000 1.103 1286 F CA -0.686 57.252 58.000 -0.104 0.000 0.949 1286 F CB 1.539 40.367 39.000 -0.287 0.000 1.142 1286 F HN 0.709 nan 8.300 nan 0.000 0.457 1287 E N 2.591 122.172 120.200 -1.030 0.000 4.003 1287 E HA 0.286 4.636 4.350 0.000 0.000 0.198 1287 E C -0.466 175.625 176.600 -0.849 0.000 1.192 1287 E CA -0.490 55.456 56.400 -0.757 0.000 0.769 1287 E CB 0.706 30.191 29.700 -0.359 0.000 2.961 1287 E HN 0.526 nan 8.360 nan 0.000 0.546 1288 K N 1.167 121.321 120.400 -0.411 0.000 2.715 1288 K HA 0.184 4.504 4.320 0.000 0.000 0.248 1288 K C 0.143 176.638 176.600 -0.175 0.000 1.276 1288 K CA 0.655 56.797 56.287 -0.241 0.000 1.209 1288 K CB 0.049 32.485 32.500 -0.107 0.000 1.509 1288 K HN 0.668 nan 8.250 nan 0.000 0.261 1289 G N 1.075 109.697 108.800 -0.296 0.000 2.189 1289 G HA2 -0.306 3.654 3.960 0.000 0.000 0.267 1289 G HA3 -0.306 3.654 3.960 0.000 0.000 0.267 1289 G C -0.079 174.943 174.900 0.202 0.000 0.975 1289 G CA 0.335 45.506 45.100 0.118 0.000 0.644 1289 G HN 0.536 nan 8.290 nan 0.000 0.537 1290 E N -1.512 118.683 120.200 -0.008 0.000 2.392 1290 E HA 0.635 4.986 4.350 0.000 0.000 0.269 1290 E C -1.204 175.399 176.600 0.005 0.000 0.924 1290 E CA -1.002 55.438 56.400 0.068 0.000 0.784 1290 E CB 1.373 31.109 29.700 0.060 0.000 1.292 1290 E HN 0.174 nan 8.360 nan 0.000 0.447 1291 Y N 0.339 120.702 120.300 0.107 0.000 2.360 1291 Y HA 0.459 5.009 4.550 0.000 0.000 0.337 1291 Y C -0.526 175.264 175.900 -0.183 0.000 1.039 1291 Y CA -0.503 57.682 58.100 0.142 0.000 1.109 1291 Y CB 0.895 39.418 38.460 0.105 0.000 1.201 1291 Y HN 0.325 nan 8.280 nan 0.000 0.458 1292 F N 0.779 120.897 119.950 0.280 0.000 2.577 1292 F HA 0.686 5.213 4.527 0.000 0.000 0.318 1292 F C -0.813 175.117 175.800 0.215 0.000 1.065 1292 F CA -1.358 56.767 58.000 0.209 0.000 0.929 1292 F CB 1.649 40.742 39.000 0.155 0.000 1.237 1292 F HN 0.016 nan 8.300 nan 0.000 0.468 1293 V N 1.411 121.507 119.914 0.303 0.000 2.417 1293 V HA 0.464 4.584 4.120 0.000 0.000 0.291 1293 V C -0.674 175.569 176.094 0.247 0.000 1.024 1293 V CA -0.847 61.536 62.300 0.138 0.000 0.861 1293 V CB 1.508 33.161 31.823 -0.284 0.000 0.985 1293 V HN 0.702 nan 8.190 nan 0.000 0.436 1294 E N 4.730 125.110 120.200 0.299 0.000 2.210 1294 E HA 0.639 4.989 4.350 0.000 0.000 0.266 1294 E C -1.130 175.615 176.600 0.241 0.000 0.883 1294 E CA -0.592 55.987 56.400 0.297 0.000 0.761 1294 E CB 2.380 32.392 29.700 0.520 0.000 1.156 1294 E HN 0.601 nan 8.360 nan 0.000 0.412 1295 M N 2.676 122.297 119.600 0.035 0.000 2.383 1295 M HA 0.481 4.961 4.480 0.000 0.000 0.325 1295 M C -1.337 174.845 176.300 -0.196 0.000 1.092 1295 M CA -0.702 54.620 55.300 0.038 0.000 0.961 1295 M CB 1.211 33.896 32.600 0.142 0.000 1.672 1295 M HN 0.478 nan 8.290 nan 0.000 0.438 1296 Y N 0.549 120.904 120.300 0.091 0.000 2.553 1296 Y HA 0.490 5.040 4.550 0.000 0.000 0.347 1296 Y C -1.227 174.837 175.900 0.273 0.000 1.019 1296 Y CA -0.933 57.281 58.100 0.189 0.000 1.032 1296 Y CB 1.643 40.210 38.460 0.179 0.000 1.284 1296 Y HN 0.472 nan 8.280 nan 0.000 0.466 1297 Y N 2.702 123.215 120.300 0.356 0.000 2.363 1297 Y HA 0.462 5.012 4.550 0.000 0.000 0.325 1297 Y C -0.601 175.485 175.900 0.311 0.000 0.984 1297 Y CA -1.926 56.361 58.100 0.313 0.000 1.248 1297 Y CB 0.990 39.615 38.460 0.275 0.000 1.116 1297 Y HN 0.663 nan 8.280 nan 0.000 0.470 1298 R N 5.199 125.847 120.500 0.246 0.000 2.296 1298 R HA 0.247 4.587 4.340 0.000 0.000 0.327 1298 R C -0.360 175.837 176.300 -0.172 0.000 1.137 1298 R CA -0.017 56.120 56.100 0.062 0.000 1.020 1298 R CB -0.124 30.229 30.300 0.087 0.000 1.110 1298 R HN 0.740 nan 8.270 nan 0.000 0.499 1299 N N 3.391 121.880 118.700 -0.352 0.000 2.416 1299 N HA 0.037 4.777 4.740 0.000 0.000 0.267 1299 N C -1.615 173.781 175.510 -0.190 0.000 1.294 1299 N CA -0.569 52.236 53.050 -0.409 0.000 0.891 1299 N CB 0.439 38.425 38.487 -0.834 0.000 1.238 1299 N HN 0.734 nan 8.380 nan 0.000 0.508 1300 E N -2.155 117.985 120.200 -0.100 0.000 3.287 1300 E HA 0.036 4.386 4.350 0.000 0.000 0.355 1300 E C -0.462 176.081 176.600 -0.095 0.000 1.027 1300 E CA -0.586 55.778 56.400 -0.059 0.000 0.840 1300 E CB -0.185 29.516 29.700 0.002 0.000 1.273 1300 E HN 0.016 nan 8.360 nan 0.000 0.458 1301 T N -0.246 114.229 114.554 -0.132 0.000 2.915 1301 T HA -0.209 4.142 4.350 0.000 0.000 0.269 1301 T C 1.434 176.015 174.700 -0.199 0.000 1.071 1301 T CA 1.319 63.307 62.100 -0.188 0.000 1.132 1301 T CB -0.225 68.554 68.868 -0.149 0.000 0.878 1301 T HN 0.472 nan 8.240 nan 0.000 0.479 1302 Q N 0.359 120.023 119.800 -0.227 0.000 2.439 1302 Q HA 0.001 4.341 4.340 0.000 0.000 0.211 1302 Q C 0.196 175.851 176.000 -0.576 0.000 0.978 1302 Q CA 0.818 56.385 55.803 -0.394 0.000 0.897 1302 Q CB 0.009 28.453 28.738 -0.490 0.000 0.956 1302 Q HN 0.702 nan 8.270 nan 0.000 0.483 1303 H N -1.353 117.683 119.070 -0.056 0.000 2.966 1303 H HA 0.193 4.749 4.556 0.000 0.000 0.330 1303 H C -0.731 174.528 175.328 -0.115 0.000 1.292 1303 H CA -0.975 55.030 56.048 -0.072 0.000 1.127 1303 H CB 0.725 30.457 29.762 -0.051 0.000 1.863 1303 H HN 0.100 nan 8.280 nan 0.000 0.543 1304 E N 1.261 121.478 120.200 0.029 0.000 2.343 1304 E HA 0.365 4.716 4.350 0.000 0.000 0.269 1304 E C -2.567 174.033 176.600 -0.000 0.000 1.047 1304 E CA -1.871 54.514 56.400 -0.024 0.000 0.874 1304 E CB 0.166 29.858 29.700 -0.015 0.000 1.033 1304 E HN 0.093 nan 8.360 nan 0.000 0.409 1305 P HA -0.149 nan 4.420 nan 0.000 0.263 1305 P C -1.223 176.259 177.300 0.305 0.000 1.168 1305 P CA 0.600 63.847 63.100 0.245 0.000 0.759 1305 P CB 0.092 31.951 31.700 0.266 0.000 0.782 1306 Y N 4.191 124.633 120.300 0.238 0.000 2.402 1306 Y HA 0.197 4.747 4.550 0.000 0.000 0.333 1306 Y C -1.625 174.408 175.900 0.221 0.000 1.076 1306 Y CA -2.064 56.163 58.100 0.210 0.000 1.299 1306 Y CB -0.289 38.280 38.460 0.181 0.000 1.197 1306 Y HN 0.327 nan 8.280 nan 0.000 0.517 1307 P HA 0.113 nan 4.420 nan 0.000 0.275 1307 P C -0.840 176.446 177.300 -0.023 0.000 1.276 1307 P CA 0.148 63.188 63.100 -0.099 0.000 0.782 1307 P CB 0.313 31.971 31.700 -0.069 0.000 0.851 1308 L N 4.172 125.355 121.223 -0.067 0.000 2.275 1308 L HA 0.506 4.847 4.340 0.000 0.000 0.288 1308 L C 0.476 177.348 176.870 0.004 0.000 1.046 1308 L CA -0.406 54.461 54.840 0.045 0.000 0.805 1308 L CB 0.951 43.090 42.059 0.134 0.000 1.193 1308 L HN 0.334 nan 8.230 nan 0.000 0.426 1309 M N 3.681 123.299 119.600 0.030 0.000 2.404 1309 M HA 0.411 4.891 4.480 0.000 0.000 0.338 1309 M C -1.275 175.054 176.300 0.047 0.000 1.150 1309 M CA -0.929 54.392 55.300 0.034 0.000 1.016 1309 M CB 2.062 34.676 32.600 0.024 0.000 1.672 1309 M HN 0.390 nan 8.290 nan 0.000 0.448 1310 L N 7.493 128.750 121.223 0.055 0.000 2.305 1310 L HA 0.508 4.848 4.340 0.000 0.000 0.281 1310 L C -2.024 174.845 176.870 -0.001 0.000 1.085 1310 L CA -1.449 53.400 54.840 0.014 0.000 0.813 1310 L CB 0.918 42.963 42.059 -0.024 0.000 1.157 1310 L HN 0.472 nan 8.230 nan 0.000 0.436 1311 P HA 0.199 nan 4.420 nan 0.000 0.271 1311 P C 0.425 177.712 177.300 -0.021 0.000 1.233 1311 P CA 0.418 63.511 63.100 -0.012 0.000 0.764 1311 P CB 0.821 32.512 31.700 -0.014 0.000 0.825 1312 G N 1.416 110.213 108.800 -0.006 0.000 2.168 1312 G HA2 -0.158 3.802 3.960 0.000 0.000 0.197 1312 G HA3 -0.158 3.802 3.960 0.000 0.000 0.197 1312 G C -0.185 174.720 174.900 0.009 0.000 0.997 1312 G CA -0.142 44.955 45.100 -0.005 0.000 0.658 1312 G HN 0.805 nan 8.290 nan 0.000 0.513 1313 c N 0.404 119.017 118.600 0.022 0.000 3.170 1313 c HA 0.819 5.389 4.570 0.000 0.000 0.319 1313 c C 1.030 175.159 174.090 0.066 0.000 1.260 1313 c CA 0.312 56.673 56.329 0.054 0.000 1.374 1313 c CB 1.261 43.813 42.510 0.071 0.000 1.739 1313 c HN 1.388 nan 8.230 nan 0.000 0.479 1314 S N 3.122 118.873 115.700 0.086 0.000 2.617 1314 S HA 0.357 4.827 4.470 0.000 0.000 0.259 1314 S C -1.813 172.839 174.600 0.086 0.000 1.301 1314 S CA -0.261 57.984 58.200 0.075 0.000 0.984 1314 S CB 0.596 63.843 63.200 0.079 0.000 0.954 1314 S HN 0.645 nan 8.310 nan 0.000 0.572 1315 P HA 0.033 nan 4.420 nan 0.000 0.218 1315 P C 0.326 177.665 177.300 0.066 0.000 1.148 1315 P CA 0.963 64.077 63.100 0.024 0.000 0.822 1315 P CB 0.057 31.749 31.700 -0.013 0.000 0.784 1316 S N -0.599 115.161 115.700 0.099 0.000 2.475 1316 S HA 0.300 4.770 4.470 0.000 0.000 0.249 1316 S C -0.440 174.366 174.600 0.342 0.000 1.298 1316 S CA -0.771 57.531 58.200 0.169 0.000 1.125 1316 S CB -0.898 62.303 63.200 0.003 0.000 1.054 1316 S HN 0.026 nan 8.310 nan 0.000 0.484 1317 c N 7.851 126.662 118.600 0.352 0.000 2.415 1317 c HA 0.585 5.155 4.570 0.000 0.000 0.369 1317 c C -2.229 172.041 174.090 0.300 0.000 1.279 1317 c CA -2.112 54.426 56.329 0.348 0.000 1.886 1317 c CB 0.187 42.916 42.510 0.365 0.000 2.468 1317 c HN 0.619 nan 8.230 nan 0.000 0.553 1318 P HA 0.014 nan 4.420 nan 0.000 0.271 1318 P C 0.811 178.053 177.300 -0.098 0.000 1.220 1318 P CA 0.043 62.906 63.100 -0.395 0.000 0.768 1318 P CB 0.637 32.071 31.700 -0.444 0.000 0.848 1319 L N 3.964 125.123 121.223 -0.107 0.000 2.054 1319 L HA -0.259 4.081 4.340 0.000 0.000 0.220 1319 L C 2.182 179.092 176.870 0.065 0.000 1.081 1319 L CA 2.150 56.999 54.840 0.015 0.000 0.780 1319 L CB -1.155 40.897 42.059 -0.012 0.000 0.893 1319 L HN 0.339 nan 8.230 nan 0.000 0.438 1320 E N -0.738 119.464 120.200 0.003 0.000 2.077 1320 E HA -0.251 4.099 4.350 0.000 0.000 0.193 1320 E C 2.393 179.020 176.600 0.046 0.000 0.989 1320 E CA 1.217 57.628 56.400 0.018 0.000 0.800 1320 E CB -0.280 29.415 29.700 -0.008 0.000 0.746 1320 E HN 0.386 nan 8.360 nan 0.000 0.452 1321 R N 0.147 120.676 120.500 0.048 0.000 2.066 1321 R HA -0.075 4.265 4.340 0.000 0.000 0.232 1321 R C 2.214 178.564 176.300 0.084 0.000 1.131 1321 R CA 1.053 57.187 56.100 0.057 0.000 0.955 1321 R CB -1.045 29.291 30.300 0.061 0.000 0.851 1321 R HN 0.171 nan 8.270 nan 0.000 0.432 1322 F N 0.655 120.609 119.950 0.007 0.000 2.065 1322 F HA -0.218 4.309 4.527 0.000 0.000 0.298 1322 F C 2.065 177.874 175.800 0.015 0.000 1.112 1322 F CA 2.140 60.155 58.000 0.025 0.000 1.212 1322 F CB -0.687 38.337 39.000 0.041 0.000 0.975 1322 F HN 0.163 nan 8.300 nan 0.000 0.476 1323 A N -0.388 122.594 122.820 0.270 0.000 1.908 1323 A HA -0.278 4.042 4.320 0.000 0.000 0.218 1323 A C 2.206 179.804 177.584 0.023 0.000 1.181 1323 A CA 2.000 54.128 52.037 0.152 0.000 0.627 1323 A CB -1.075 17.995 19.000 0.115 0.000 0.818 1323 A HN 0.601 nan 8.150 nan 0.000 0.445 1324 E N -0.258 119.947 120.200 0.008 0.000 2.017 1324 E HA -0.165 4.185 4.350 0.000 0.000 0.193 1324 E C 2.025 178.593 176.600 -0.053 0.000 0.997 1324 E CA 1.252 57.642 56.400 -0.017 0.000 0.804 1324 E CB -0.220 29.475 29.700 -0.008 0.000 0.757 1324 E HN 0.628 nan 8.360 nan 0.000 0.448 1325 L N 0.292 121.462 121.223 -0.089 0.000 2.012 1325 L HA -0.160 4.180 4.340 0.000 0.000 0.210 1325 L C 2.625 179.402 176.870 -0.155 0.000 1.073 1325 L CA 0.823 55.590 54.840 -0.121 0.000 0.748 1325 L CB -0.387 41.580 42.059 -0.152 0.000 0.891 1325 L HN 0.153 nan 8.230 nan 0.000 0.431 1326 V N 0.219 119.992 119.914 -0.234 0.000 3.041 1326 V HA -0.044 4.076 4.120 0.000 0.000 0.260 1326 V C 2.298 178.336 176.094 -0.094 0.000 1.105 1326 V CA 1.356 63.528 62.300 -0.214 0.000 1.125 1326 V CB -0.208 31.399 31.823 -0.359 0.000 0.730 1326 V HN 0.506 nan 8.190 nan 0.000 0.479 1327 G N 1.643 110.405 108.800 -0.063 0.000 2.505 1327 G HA2 -0.213 3.747 3.960 0.000 0.000 0.220 1327 G HA3 -0.213 3.747 3.960 0.000 0.000 0.220 1327 G C 0.147 175.034 174.900 -0.021 0.000 1.145 1327 G CA 1.133 46.218 45.100 -0.026 0.000 0.761 1327 G HN 0.612 nan 8.290 nan 0.000 0.571 1328 P HA -0.018 nan 4.420 nan 0.000 0.228 1328 P C 1.445 178.734 177.300 -0.018 0.000 1.151 1328 P CA 1.341 64.427 63.100 -0.023 0.000 0.770 1328 P CB -0.094 31.588 31.700 -0.029 0.000 0.786 1329 V N -4.496 115.405 119.914 -0.022 0.000 3.542 1329 V HA 0.297 4.417 4.120 0.000 0.000 0.296 1329 V C 0.900 177.002 176.094 0.014 0.000 1.364 1329 V CA -0.160 62.133 62.300 -0.012 0.000 1.118 1329 V CB -0.710 31.093 31.823 -0.033 0.000 0.972 1329 V HN -0.152 nan 8.190 nan 0.000 0.430 1330 I N 4.549 125.129 120.570 0.017 0.000 2.307 1330 I HA 0.403 4.573 4.170 0.000 0.000 0.289 1330 I C -2.231 173.914 176.117 0.047 0.000 1.021 1330 I CA -2.072 59.250 61.300 0.036 0.000 1.224 1330 I CB 2.068 40.084 38.000 0.027 0.000 1.376 1330 I HN 0.100 nan 8.210 nan 0.000 0.470 1331 P HA 0.078 nan 4.420 nan 0.000 0.275 1331 P C -0.535 176.810 177.300 0.074 0.000 1.227 1331 P CA -0.253 62.903 63.100 0.093 0.000 0.781 1331 P CB 1.312 33.121 31.700 0.183 0.000 0.906 1332 Q N 1.039 120.871 119.800 0.053 0.000 2.297 1332 Q HA 0.047 4.387 4.340 0.000 0.000 0.203 1332 Q C 0.264 176.294 176.000 0.051 0.000 0.931 1332 Q CA 1.336 57.163 55.803 0.039 0.000 0.885 1332 Q CB 0.015 28.765 28.738 0.020 0.000 0.991 1332 Q HN 0.520 nan 8.270 nan 0.000 0.498 1333 D N -1.029 119.409 120.400 0.064 0.000 2.823 1333 D HA 0.040 4.680 4.640 0.000 0.000 0.255 1333 D C 0.080 176.439 176.300 0.098 0.000 1.257 1333 D CA -0.444 53.601 54.000 0.075 0.000 0.803 1333 D CB -0.404 40.415 40.800 0.033 0.000 1.384 1333 D HN -0.013 nan 8.370 nan 0.000 0.541 1334 W N 2.714 123.996 121.300 -0.030 0.000 2.278 1334 W HA -0.361 4.299 4.660 0.000 0.000 0.339 1334 W C 1.902 178.400 176.519 -0.035 0.000 1.348 1334 W CA 2.730 60.054 57.345 -0.035 0.000 1.289 1334 W CB -0.542 28.879 29.460 -0.065 0.000 1.124 1334 W HN 0.238 nan 8.180 nan 0.000 0.469 1335 S N -0.520 115.301 115.700 0.202 0.000 2.381 1335 S HA -0.312 4.158 4.470 0.000 0.000 0.230 1335 S C 1.600 176.093 174.600 -0.179 0.000 1.052 1335 S CA 2.426 60.624 58.200 -0.003 0.000 1.068 1335 S CB -1.103 62.183 63.200 0.144 0.000 0.918 1335 S HN 0.466 nan 8.310 nan 0.000 0.448 1336 T N 1.959 116.454 114.554 -0.099 0.000 2.857 1336 T HA -0.022 4.328 4.350 0.000 0.000 0.266 1336 T C 1.486 176.097 174.700 -0.148 0.000 1.048 1336 T CA 0.902 62.942 62.100 -0.101 0.000 1.139 1336 T CB -0.250 68.588 68.868 -0.049 0.000 0.874 1336 T HN 0.546 nan 8.240 nan 0.000 0.455 1337 E N 0.226 120.319 120.200 -0.178 0.000 2.515 1337 E HA -0.027 4.323 4.350 0.000 0.000 0.201 1337 E C 1.628 178.065 176.600 -0.272 0.000 1.071 1337 E CA 0.250 56.540 56.400 -0.183 0.000 0.880 1337 E CB -0.251 29.361 29.700 -0.148 0.000 0.828 1337 E HN 0.473 nan 8.360 nan 0.000 0.540 1338 c N 0.603 118.967 118.600 -0.394 0.000 2.634 1338 c HA 0.171 4.741 4.570 0.000 0.000 0.268 1338 c C 1.368 175.310 174.090 -0.246 0.000 1.322 1338 c CA -0.303 55.766 56.329 -0.433 0.000 1.737 1338 c CB -0.463 41.595 42.510 -0.753 0.000 1.976 1338 c HN 0.367 nan 8.230 nan 0.000 0.547 1339 M N 0.034 119.523 119.600 -0.186 0.000 2.036 1339 M HA 0.291 4.771 4.480 0.000 0.000 0.276 1339 M C 0.804 177.050 176.300 -0.090 0.000 1.262 1339 M CA 0.899 56.129 55.300 -0.115 0.000 1.097 1339 M CB 0.186 32.733 32.600 -0.089 0.000 1.386 1339 M HN 0.271 nan 8.290 nan 0.000 0.482 1340 T N -2.197 112.320 114.554 -0.062 0.000 2.583 1340 T HA 0.128 4.478 4.350 0.000 0.000 0.201 1340 T C -0.684 173.996 174.700 -0.033 0.000 1.084 1340 T CA 0.061 62.132 62.100 -0.048 0.000 1.217 1340 T CB 0.445 69.286 68.868 -0.046 0.000 2.084 1340 T HN 0.799 nan 8.240 nan 0.000 0.418 1341 T N 0.000 114.539 114.554 -0.026 0.000 3.816 1341 T HA 0.000 4.350 4.350 0.000 0.000 0.228 1341 T CA 0.000 62.089 62.100 -0.018 0.000 1.349 1341 T CB 0.000 68.860 68.868 -0.013 0.000 0.612 1341 T HN 0.000 nan 8.240 nan 0.000 0.658